data_5712 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5712 _Entry.Title ; Backbone resonance assignment for human eIF4E in complex with m7GDP and a 17-amino acid peptide derived from human eIF4G ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-03-02 _Entry.Accession_date 2003-03-03 _Entry.Last_release_date . _Entry.Original_release_date . _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 Takaaki Miura . . . 5712 2 Yasuhiko Shiratori . . . 5712 3 Nobuo Shimma . . . 5712 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5712 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 197 5712 '13C chemical shifts' 606 5712 '15N chemical shifts' 197 5712 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 . . 2006-05-30 . update BMRB 'Links to related BMRB entries inserted' 5712 2 . . 2005-11-14 . original author 'Original release' 5712 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7115 'Cap-free structure of eIF4E' 5712 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5712 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Backbone resonance assignment of human eukaryotic translation initiation factor 4E (eIF4E) in complex with 7-methylguanosine diphosphate (m7GDP) and a 17-amino acid peptide derived from human eIF4GII ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue 3 _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 279 _Citation.Page_last 280 _Citation.Year 2003 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Takaaki Miura . . . 5712 1 2 Yasuhiko Shiratori . . . 5712 1 3 Nobuo Shimma . . . 5712 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Eukaryotic translation initiation Factor 4E' 5712 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_eIF4E _Assembly.Sf_category assembly _Assembly.Sf_framecode system_eIF4E _Assembly.Entry_ID 5712 _Assembly.ID 1 _Assembly.Name eIF4E _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 'all free' _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 5712 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 'eif4e monomer' 1 $eIF4E . . . native . . . . . 5712 1 2 'eIF4E binding region' 2 $eIF4E_binding_region . . . native . . . . . 5712 1 3 '7-methylguanosine diphosphate' 3 $M7G . . . native . . . . . 5712 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 . PDB 1EJ1 . . . . . . 5712 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID eIF4E system 5712 1 eIF4E abbreviation 5712 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'translation initiation factor' 5712 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_eIF4E _Entity.Sf_category entity _Entity.Sf_framecode eIF4E _Entity.Entry_ID 5712 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'translation initiation factor 4E' _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 ; MATVEPETTPTPNPPTTEEE KTESNQEVANPEHYIKHPLQ NRWALWFFKNDKSKTWQANL RLISKFDTVEDFWALYNHIQ LSSNLMPGCDYSLFKDGIEP MWEDEKNKRGGRWLITLNKQ QRRSDLDRFWLETLLCLIGE SFDDYSDDVCGAVVNVRAKG DKIAIWTTECENREAVTHIG RVYKERLGLPPKIVIGYQSH ADTATKSGSTTKNRFVV ; _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 217 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 25097 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1EJH . "Eif4eEIF4G PEPTIDE7-Methyl-Gdp" . . . . . 94.12 16 100.00 100.00 1.64e-01 . . . . 5712 1 2 no DBJ BAD92356 . "eukaryotic translation initiation factor 4 gamma, 3 variant [Homo sapiens]" . . . . . 100.00 1780 100.00 100.00 3.85e-02 . . . . 5712 1 3 no DBJ BAE02210 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 308 100.00 100.00 2.65e-02 . . . . 5712 1 4 no DBJ BAG57978 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1189 100.00 100.00 7.76e-02 . . . . 5712 1 5 no GB AAC02903 . "eIF4GII [Homo sapiens]" . . . . . 100.00 1585 100.00 100.00 6.28e-02 . . . . 5712 1 6 no GB AAH94683 . "EIF4G3 protein [Homo sapiens]" . . . . . 100.00 1305 100.00 100.00 9.05e-02 . . . . 5712 1 7 no GB AAI36644 . "EIF4G3 protein [Homo sapiens]" . . . . . 100.00 1591 100.00 100.00 6.29e-02 . . . . 5712 1 8 no GB AAR32992 . "eukaryotic translation initiation factor 4 gamma 3 [Equus caballus]" . . . . . 100.00 1623 100.00 100.00 7.32e-02 . . . . 5712 1 9 no GB EAW94955 . "eukaryotic translation initiation factor 4 gamma, 3, isoform CRA_b [Homo sapiens]" . . . . . 100.00 1556 100.00 100.00 7.29e-02 . . . . 5712 1 10 no REF NP_001075231 . "eukaryotic translation initiation factor 4 gamma 3 [Equus caballus]" . . . . . 100.00 1623 100.00 100.00 7.32e-02 . . . . 5712 1 11 no REF NP_001185730 . "eukaryotic translation initiation factor 4 gamma 3 isoform 1 [Homo sapiens]" . . . . . 100.00 1621 100.00 100.00 5.95e-02 . . . . 5712 1 12 no REF NP_001185731 . "eukaryotic translation initiation factor 4 gamma 3 isoform 2 [Homo sapiens]" . . . . . 100.00 1591 100.00 100.00 6.29e-02 . . . . 5712 1 13 no REF NP_003751 . "eukaryotic translation initiation factor 4 gamma 3 isoform 3 [Homo sapiens]" . . . . . 100.00 1585 100.00 100.00 6.28e-02 . . . . 5712 1 14 no REF XP_002750436 . "PREDICTED: eukaryotic translation initiation factor 4 gamma 3 isoform X17 [Callithrix jacchus]" . . . . . 100.00 1585 100.00 100.00 6.28e-02 . . . . 5712 1 15 no SP O43432 . "RecName: Full=Eukaryotic translation initiation factor 4 gamma 3; Short=eIF-4-gamma 3; Short=eIF-4G 3; Short=eIF4G 3; AltName: " . . . . . 100.00 1585 100.00 100.00 6.28e-02 . . . . 5712 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'translation initiation factor 4E' common 5712 1 eIF4E abbreviation 5712 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5712 1 2 . ALA . 5712 1 3 . THR . 5712 1 4 . VAL . 5712 1 5 . GLU . 5712 1 6 . PRO . 5712 1 7 . GLU . 5712 1 8 . THR . 5712 1 9 . THR . 5712 1 10 . PRO . 5712 1 11 . THR . 5712 1 12 . PRO . 5712 1 13 . ASN . 5712 1 14 . PRO . 5712 1 15 . PRO . 5712 1 16 . THR . 5712 1 17 . THR . 5712 1 18 . GLU . 5712 1 19 . GLU . 5712 1 20 . GLU . 5712 1 21 . LYS . 5712 1 22 . THR . 5712 1 23 . GLU . 5712 1 24 . SER . 5712 1 25 . ASN . 5712 1 26 . GLN . 5712 1 27 . GLU . 5712 1 28 . VAL . 5712 1 29 . ALA . 5712 1 30 . ASN . 5712 1 31 . PRO . 5712 1 32 . GLU . 5712 1 33 . HIS . 5712 1 34 . TYR . 5712 1 35 . ILE . 5712 1 36 . LYS . 5712 1 37 . HIS . 5712 1 38 . PRO . 5712 1 39 . LEU . 5712 1 40 . GLN . 5712 1 41 . ASN . 5712 1 42 . ARG . 5712 1 43 . TRP . 5712 1 44 . ALA . 5712 1 45 . LEU . 5712 1 46 . TRP . 5712 1 47 . PHE . 5712 1 48 . PHE . 5712 1 49 . LYS . 5712 1 50 . ASN . 5712 1 51 . ASP . 5712 1 52 . LYS . 5712 1 53 . SER . 5712 1 54 . LYS . 5712 1 55 . THR . 5712 1 56 . TRP . 5712 1 57 . GLN . 5712 1 58 . ALA . 5712 1 59 . ASN . 5712 1 60 . LEU . 5712 1 61 . ARG . 5712 1 62 . LEU . 5712 1 63 . ILE . 5712 1 64 . SER . 5712 1 65 . LYS . 5712 1 66 . PHE . 5712 1 67 . ASP . 5712 1 68 . THR . 5712 1 69 . VAL . 5712 1 70 . GLU . 5712 1 71 . ASP . 5712 1 72 . PHE . 5712 1 73 . TRP . 5712 1 74 . ALA . 5712 1 75 . LEU . 5712 1 76 . TYR . 5712 1 77 . ASN . 5712 1 78 . HIS . 5712 1 79 . ILE . 5712 1 80 . GLN . 5712 1 81 . LEU . 5712 1 82 . SER . 5712 1 83 . SER . 5712 1 84 . ASN . 5712 1 85 . LEU . 5712 1 86 . MET . 5712 1 87 . PRO . 5712 1 88 . GLY . 5712 1 89 . CYS . 5712 1 90 . ASP . 5712 1 91 . TYR . 5712 1 92 . SER . 5712 1 93 . LEU . 5712 1 94 . PHE . 5712 1 95 . LYS . 5712 1 96 . ASP . 5712 1 97 . GLY . 5712 1 98 . ILE . 5712 1 99 . GLU . 5712 1 100 . PRO . 5712 1 101 . MET . 5712 1 102 . TRP . 5712 1 103 . GLU . 5712 1 104 . ASP . 5712 1 105 . GLU . 5712 1 106 . LYS . 5712 1 107 . ASN . 5712 1 108 . LYS . 5712 1 109 . ARG . 5712 1 110 . GLY . 5712 1 111 . GLY . 5712 1 112 . ARG . 5712 1 113 . TRP . 5712 1 114 . LEU . 5712 1 115 . ILE . 5712 1 116 . THR . 5712 1 117 . LEU . 5712 1 118 . ASN . 5712 1 119 . LYS . 5712 1 120 . GLN . 5712 1 121 . GLN . 5712 1 122 . ARG . 5712 1 123 . ARG . 5712 1 124 . SER . 5712 1 125 . ASP . 5712 1 126 . LEU . 5712 1 127 . ASP . 5712 1 128 . ARG . 5712 1 129 . PHE . 5712 1 130 . TRP . 5712 1 131 . LEU . 5712 1 132 . GLU . 5712 1 133 . THR . 5712 1 134 . LEU . 5712 1 135 . LEU . 5712 1 136 . CYS . 5712 1 137 . LEU . 5712 1 138 . ILE . 5712 1 139 . GLY . 5712 1 140 . GLU . 5712 1 141 . SER . 5712 1 142 . PHE . 5712 1 143 . ASP . 5712 1 144 . ASP . 5712 1 145 . TYR . 5712 1 146 . SER . 5712 1 147 . ASP . 5712 1 148 . ASP . 5712 1 149 . VAL . 5712 1 150 . CYS . 5712 1 151 . GLY . 5712 1 152 . ALA . 5712 1 153 . VAL . 5712 1 154 . VAL . 5712 1 155 . ASN . 5712 1 156 . VAL . 5712 1 157 . ARG . 5712 1 158 . ALA . 5712 1 159 . LYS . 5712 1 160 . GLY . 5712 1 161 . ASP . 5712 1 162 . LYS . 5712 1 163 . ILE . 5712 1 164 . ALA . 5712 1 165 . ILE . 5712 1 166 . TRP . 5712 1 167 . THR . 5712 1 168 . THR . 5712 1 169 . GLU . 5712 1 170 . CYS . 5712 1 171 . GLU . 5712 1 172 . ASN . 5712 1 173 . ARG . 5712 1 174 . GLU . 5712 1 175 . ALA . 5712 1 176 . VAL . 5712 1 177 . THR . 5712 1 178 . HIS . 5712 1 179 . ILE . 5712 1 180 . GLY . 5712 1 181 . ARG . 5712 1 182 . VAL . 5712 1 183 . TYR . 5712 1 184 . LYS . 5712 1 185 . GLU . 5712 1 186 . ARG . 5712 1 187 . LEU . 5712 1 188 . GLY . 5712 1 189 . LEU . 5712 1 190 . PRO . 5712 1 191 . PRO . 5712 1 192 . LYS . 5712 1 193 . ILE . 5712 1 194 . VAL . 5712 1 195 . ILE . 5712 1 196 . GLY . 5712 1 197 . TYR . 5712 1 198 . GLN . 5712 1 199 . SER . 5712 1 200 . HIS . 5712 1 201 . ALA . 5712 1 202 . ASP . 5712 1 203 . THR . 5712 1 204 . ALA . 5712 1 205 . THR . 5712 1 206 . LYS . 5712 1 207 . SER . 5712 1 208 . GLY . 5712 1 209 . SER . 5712 1 210 . THR . 5712 1 211 . THR . 5712 1 212 . LYS . 5712 1 213 . ASN . 5712 1 214 . ARG . 5712 1 215 . PHE . 5712 1 216 . VAL . 5712 1 217 . VAL . 5712 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 5712 1 . ALA 2 2 5712 1 . THR 3 3 5712 1 . VAL 4 4 5712 1 . GLU 5 5 5712 1 . PRO 6 6 5712 1 . GLU 7 7 5712 1 . THR 8 8 5712 1 . THR 9 9 5712 1 . PRO 10 10 5712 1 . THR 11 11 5712 1 . PRO 12 12 5712 1 . ASN 13 13 5712 1 . PRO 14 14 5712 1 . PRO 15 15 5712 1 . THR 16 16 5712 1 . THR 17 17 5712 1 . GLU 18 18 5712 1 . GLU 19 19 5712 1 . GLU 20 20 5712 1 . LYS 21 21 5712 1 . THR 22 22 5712 1 . GLU 23 23 5712 1 . SER 24 24 5712 1 . ASN 25 25 5712 1 . GLN 26 26 5712 1 . GLU 27 27 5712 1 . VAL 28 28 5712 1 . ALA 29 29 5712 1 . ASN 30 30 5712 1 . PRO 31 31 5712 1 . GLU 32 32 5712 1 . HIS 33 33 5712 1 . TYR 34 34 5712 1 . ILE 35 35 5712 1 . LYS 36 36 5712 1 . HIS 37 37 5712 1 . PRO 38 38 5712 1 . LEU 39 39 5712 1 . GLN 40 40 5712 1 . ASN 41 41 5712 1 . ARG 42 42 5712 1 . TRP 43 43 5712 1 . ALA 44 44 5712 1 . LEU 45 45 5712 1 . TRP 46 46 5712 1 . PHE 47 47 5712 1 . PHE 48 48 5712 1 . LYS 49 49 5712 1 . ASN 50 50 5712 1 . ASP 51 51 5712 1 . LYS 52 52 5712 1 . SER 53 53 5712 1 . LYS 54 54 5712 1 . THR 55 55 5712 1 . TRP 56 56 5712 1 . GLN 57 57 5712 1 . ALA 58 58 5712 1 . ASN 59 59 5712 1 . LEU 60 60 5712 1 . ARG 61 61 5712 1 . LEU 62 62 5712 1 . ILE 63 63 5712 1 . SER 64 64 5712 1 . LYS 65 65 5712 1 . PHE 66 66 5712 1 . ASP 67 67 5712 1 . THR 68 68 5712 1 . VAL 69 69 5712 1 . GLU 70 70 5712 1 . ASP 71 71 5712 1 . PHE 72 72 5712 1 . TRP 73 73 5712 1 . ALA 74 74 5712 1 . LEU 75 75 5712 1 . TYR 76 76 5712 1 . ASN 77 77 5712 1 . HIS 78 78 5712 1 . ILE 79 79 5712 1 . GLN 80 80 5712 1 . LEU 81 81 5712 1 . SER 82 82 5712 1 . SER 83 83 5712 1 . ASN 84 84 5712 1 . LEU 85 85 5712 1 . MET 86 86 5712 1 . PRO 87 87 5712 1 . GLY 88 88 5712 1 . CYS 89 89 5712 1 . ASP 90 90 5712 1 . TYR 91 91 5712 1 . SER 92 92 5712 1 . LEU 93 93 5712 1 . PHE 94 94 5712 1 . LYS 95 95 5712 1 . ASP 96 96 5712 1 . GLY 97 97 5712 1 . ILE 98 98 5712 1 . GLU 99 99 5712 1 . PRO 100 100 5712 1 . MET 101 101 5712 1 . TRP 102 102 5712 1 . GLU 103 103 5712 1 . ASP 104 104 5712 1 . GLU 105 105 5712 1 . LYS 106 106 5712 1 . ASN 107 107 5712 1 . LYS 108 108 5712 1 . ARG 109 109 5712 1 . GLY 110 110 5712 1 . GLY 111 111 5712 1 . ARG 112 112 5712 1 . TRP 113 113 5712 1 . LEU 114 114 5712 1 . ILE 115 115 5712 1 . THR 116 116 5712 1 . LEU 117 117 5712 1 . ASN 118 118 5712 1 . LYS 119 119 5712 1 . GLN 120 120 5712 1 . GLN 121 121 5712 1 . ARG 122 122 5712 1 . ARG 123 123 5712 1 . SER 124 124 5712 1 . ASP 125 125 5712 1 . LEU 126 126 5712 1 . ASP 127 127 5712 1 . ARG 128 128 5712 1 . PHE 129 129 5712 1 . TRP 130 130 5712 1 . LEU 131 131 5712 1 . GLU 132 132 5712 1 . THR 133 133 5712 1 . LEU 134 134 5712 1 . LEU 135 135 5712 1 . CYS 136 136 5712 1 . LEU 137 137 5712 1 . ILE 138 138 5712 1 . GLY 139 139 5712 1 . GLU 140 140 5712 1 . SER 141 141 5712 1 . PHE 142 142 5712 1 . ASP 143 143 5712 1 . ASP 144 144 5712 1 . TYR 145 145 5712 1 . SER 146 146 5712 1 . ASP 147 147 5712 1 . ASP 148 148 5712 1 . VAL 149 149 5712 1 . CYS 150 150 5712 1 . GLY 151 151 5712 1 . ALA 152 152 5712 1 . VAL 153 153 5712 1 . VAL 154 154 5712 1 . ASN 155 155 5712 1 . VAL 156 156 5712 1 . ARG 157 157 5712 1 . ALA 158 158 5712 1 . LYS 159 159 5712 1 . GLY 160 160 5712 1 . ASP 161 161 5712 1 . LYS 162 162 5712 1 . ILE 163 163 5712 1 . ALA 164 164 5712 1 . ILE 165 165 5712 1 . TRP 166 166 5712 1 . THR 167 167 5712 1 . THR 168 168 5712 1 . GLU 169 169 5712 1 . CYS 170 170 5712 1 . GLU 171 171 5712 1 . ASN 172 172 5712 1 . ARG 173 173 5712 1 . GLU 174 174 5712 1 . ALA 175 175 5712 1 . VAL 176 176 5712 1 . THR 177 177 5712 1 . HIS 178 178 5712 1 . ILE 179 179 5712 1 . GLY 180 180 5712 1 . ARG 181 181 5712 1 . VAL 182 182 5712 1 . TYR 183 183 5712 1 . LYS 184 184 5712 1 . GLU 185 185 5712 1 . ARG 186 186 5712 1 . LEU 187 187 5712 1 . GLY 188 188 5712 1 . LEU 189 189 5712 1 . PRO 190 190 5712 1 . PRO 191 191 5712 1 . LYS 192 192 5712 1 . ILE 193 193 5712 1 . VAL 194 194 5712 1 . ILE 195 195 5712 1 . GLY 196 196 5712 1 . TYR 197 197 5712 1 . GLN 198 198 5712 1 . SER 199 199 5712 1 . HIS 200 200 5712 1 . ALA 201 201 5712 1 . ASP 202 202 5712 1 . THR 203 203 5712 1 . ALA 204 204 5712 1 . THR 205 205 5712 1 . LYS 206 206 5712 1 . SER 207 207 5712 1 . GLY 208 208 5712 1 . SER 209 209 5712 1 . THR 210 210 5712 1 . THR 211 211 5712 1 . LYS 212 212 5712 1 . ASN 213 213 5712 1 . ARG 214 214 5712 1 . PHE 215 215 5712 1 . VAL 216 216 5712 1 . VAL 217 217 5712 1 stop_ save_ save_eIF4E_binding_region _Entity.Sf_category entity _Entity.Sf_framecode eIF4E_binding_region _Entity.Entry_ID 5712 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'eIF4E binding region' _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 KKQYDREFLLDFQFMPA _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 17 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . REF XP_423296 . 'PREDICTED: similar to eukaryotic translation initiation factor 4 gamma, 3 [Gallus gallus]' . . . . . 100.00 1788 100.00 100.00 7.58e-02 . . . . 5712 2 . . SWISS-PROT O43432 . 'Eukaryotic translation initiation factor 4 gamma 3 (eIF-4-gamma 3) (eIF-4G 3) (eIF4G 3) (eIF-4-gamma II) (eIF4GII)' . . . . . 100.00 1585 100.00 100.00 8.96e-02 . . . . 5712 2 . . REF XP_001165083 . 'PREDICTED: eukaryotic translation initiation factor 4 gamma, 3 [Pan troglodytes]' . . . . . 100.00 1923 100.00 100.00 4.87e-02 . . . . 5712 2 . . REF XP_001377349 . 'PREDICTED: similar to eukaryotic translation initiation factor 4 gamma, 3, [Monodelphis domestica]' . . . . . 100.00 1623 100.00 100.00 1.07e-01 . . . . 5712 2 . . REF NP_001075231 . 'eukaryotic translation initiation factor 4 gamma, 3 [Equus caballus]' . . . . . 100.00 1623 100.00 100.00 1.02e-01 . . . . 5712 2 . . REF NP_003751 . 'eukaryotic translation initiation factor 4 gamma, 3 [Homo sapiens]' . . . . . 100.00 1585 100.00 100.00 8.96e-02 . . . . 5712 2 . . GenBank EAW94955 . 'eukaryotic translation initiation factor 4 gamma, 3, isoform CRA_b [Homo sapiens]' . . . . . 100.00 1556 100.00 100.00 1.02e-01 . . . . 5712 2 . . GenBank EAW94956 . 'eukaryotic translation initiation factor 4 gamma, 3, isoform CRA_c [Homo sapiens]' . . . . . 100.00 1585 100.00 100.00 8.96e-02 . . . . 5712 2 . . GenBank AAH94683 . 'EIF4G3 protein [Homo sapiens]' . . . . . 100.00 1305 100.00 100.00 1.26e-01 . . . . 5712 2 . . GenBank AAR32992 . 'eukaryotic translation initiation factor 4 gamma 3 [Equus caballus]' . . . . . 100.00 1623 100.00 100.00 1.02e-01 . . . . 5712 2 . . EMBL CAI14553 . 'eukaryotic translation initiation factor 4 gamma, 3 [Homo sapiens]' . . . . . 100.00 1585 100.00 100.00 8.96e-02 . . . . 5712 2 . . GenBank AAC02903 . 'eIF4GII [Homo sapiens]' . . . . . 100.00 1585 100.00 100.00 8.96e-02 . . . . 5712 2 . . EMBL CAI12534 . 'eukaryotic translation initiation factor 4 gamma, 3 [Homo sapiens]' . . . . . 100.00 1585 100.00 100.00 8.96e-02 . . . . 5712 2 . . EMBL CAI12535 . 'eukaryotic translation initiation factor 4 gamma, 3 [Homo sapiens]' . . . . . 100.00 247 100.00 100.00 1.49e-01 . . . . 5712 2 . . EMBL CAI12155 . 'eukaryotic translation initiation factor 4 gamma, 3 [Homo sapiens]' . . . . . 100.00 1585 100.00 100.00 8.96e-02 . . . . 5712 2 . . EMBL CAI12158 . 'eukaryotic translation initiation factor 4 gamma, 3 [Homo sapiens]' . . . . . 100.00 247 100.00 100.00 1.49e-01 . . . . 5712 2 . . DBJ BAE02210 . 'unnamed protein product [Macaca fascicularis]' . . . . . 100.00 308 100.00 100.00 6.80e-02 . . . . 5712 2 . . DBJ BAG57978 . 'unnamed protein product [Homo sapiens]' . . . . . 100.00 1189 100.00 100.00 1.11e-01 . . . . 5712 2 . . PDB 1EJH . 'Eif4eEIF4G PEPTIDE7-Methyl-Gdp' . . . . . 94.12 16 100.00 100.00 1.44e+00 . . . . 5712 2 . . DBJ BAD92356 . 'eukaryotic translation initiation factor 4 gamma, 3 variant [Homo sapiens]' . . . . . 100.00 1780 100.00 100.00 5.76e-02 . . . . 5712 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'eIF4E binding region' common 5712 2 'eIF4E binding region' abbreviation 5712 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . LYS . 5712 2 2 . LYS . 5712 2 3 . GLN . 5712 2 4 . TYR . 5712 2 5 . ASP . 5712 2 6 . ARG . 5712 2 7 . GLU . 5712 2 8 . PHE . 5712 2 9 . LEU . 5712 2 10 . LEU . 5712 2 11 . ASP . 5712 2 12 . PHE . 5712 2 13 . GLN . 5712 2 14 . PHE . 5712 2 15 . MET . 5712 2 16 . PRO . 5712 2 17 . ALA . 5712 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . LYS 1 1 5712 2 . LYS 2 2 5712 2 . GLN 3 3 5712 2 . TYR 4 4 5712 2 . ASP 5 5 5712 2 . ARG 6 6 5712 2 . GLU 7 7 5712 2 . PHE 8 8 5712 2 . LEU 9 9 5712 2 . LEU 10 10 5712 2 . ASP 11 11 5712 2 . PHE 12 12 5712 2 . GLN 13 13 5712 2 . PHE 14 14 5712 2 . MET 15 15 5712 2 . PRO 16 16 5712 2 . ALA 17 17 5712 2 stop_ save_ save_M7G _Entity.Sf_category entity _Entity.Sf_framecode M7G _Entity.Entry_ID 5712 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name M7G _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID M7G _Entity.Nonpolymer_comp_label $chem_comp_M7G _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _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 . 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 . M7G . 5712 3 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 5712 _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 $eIF4E . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5712 1 2 2 $eIF4E_binding_region . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5712 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 5712 _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 $eIF4E . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5712 1 2 2 $eIF4E_binding_region . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5712 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_M7G _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_M7G _Chem_comp.Entry_ID 5712 _Chem_comp.ID M7G _Chem_comp.Provenance . _Chem_comp.Name 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code M7G _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces MDG _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code M7G _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C11 H19 N5 O11 P2' _Chem_comp.Formula_weight 459.243 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1EJ1 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:31:03 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID O=P(O)(O)OP(=O)(O)OCC3OC(N1C=2N=C(N)NC(=O)C=2N(C1)C)C(O)C3O SMILES ACDLabs 10.04 5712 M7G CN1CN([C@@H]2O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O)C3=C1C(=O)NC(=N3)N SMILES_CANONICAL CACTVS 3.341 5712 M7G CN1CN([CH]2O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)N SMILES CACTVS 3.341 5712 M7G CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5712 M7G CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 5712 M7G InChI=1S/C11H19N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1 InChI InChI 1.03 5712 M7G QQODJOAVWUWVHJ-KQYNXXCUSA-N InChIKey InChI 1.03 5712 M7G stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '7-methylguanosine 5'-(trihydrogen diphosphate)' 'SYSTEMATIC NAME' ACDLabs 10.04 5712 M7G '[(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1,8-dihydropurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5712 M7G stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PA . PA . . P . . S 0 . . . . no no . . . . 4.418 . 11.773 . 14.326 . -0.169 -0.023 -3.365 1 . 5712 M7G O1A . O1A . . O . . N 0 . . . . no no . . . . 4.950 . 11.847 . 12.934 . 0.825 0.994 -2.959 2 . 5712 M7G O2A . O2A . . O . . N 0 . . . . no no . . . . 4.818 . 10.458 . 14.881 . -1.316 0.671 -4.255 3 . 5712 M7G O3A . O3A . . O . . N 0 . . . . no no . . . . 5.080 . 12.946 . 15.243 . 0.559 -1.171 -4.228 4 . 5712 M7G O5' . O5' . . O . . N 0 . . . . no no . . . . 2.779 . 11.869 . 14.344 . -0.831 -0.679 -2.052 5 . 5712 M7G PB . PB . . P . . N 0 . . . . no no . . . . 4.651 . 14.509 . 15.233 . 1.195 -0.449 -5.518 6 . 5712 M7G O1B . O1B . . O . . N 0 . . . . no no . . . . 4.732 . 15.083 . 13.864 . 2.169 0.575 -5.080 7 . 5712 M7G O2B . O2B . . O . . N 0 . . . . no no . . . . 5.611 . 15.230 . 16.108 . 1.944 -1.544 -6.431 8 . 5712 M7G O3B . O3B . . O . . N 0 . . . . no no . . . . 3.265 . 14.672 . 15.747 . 0.025 0.253 -6.373 9 . 5712 M7G C5' . C5' . . C . . N 0 . . . . no no . . . . 2.039 . 12.541 . 13.352 . -1.459 0.383 -1.331 10 . 5712 M7G C4' . C4' . . C . . R 0 . . . . no no . . . . 0.814 . 11.828 . 12.892 . -2.112 -0.174 -0.065 11 . 5712 M7G O4' . O4' . . O . . N 0 . . . . no no . . . . 1.216 . 10.800 . 11.925 . -1.114 -0.764 0.796 12 . 5712 M7G C3' . C3' . . C . . S 0 . . . . no no . . . . 0.143 . 10.948 . 13.900 . -2.730 0.967 0.771 13 . 5712 M7G O3' . O3' . . O . . N 0 . . . . no no . . . . -0.626 . 11.721 . 14.854 . -4.134 1.066 0.522 14 . 5712 M7G C2' . C2' . . C . . R 0 . . . . no no . . . . -0.812 . 10.162 . 12.968 . -2.466 0.546 2.236 15 . 5712 M7G O2' . O2' . . O . . N 0 . . . . no no . . . . -1.840 . 11.016 . 12.387 . -3.700 0.374 2.937 16 . 5712 M7G C1' . C1' . . C . . R 0 . . . . no no . . . . 0.231 . 9.736 . 11.939 . -1.717 -0.798 2.108 17 . 5712 M7G N9 . N9 . . N . . N 0 . . . . no no . . . . 1.103 . 8.581 . 12.346 . -0.684 -0.906 3.141 18 . 5712 M7G C8 . C8 . . C . . N 0 . . . . no no . . . . 2.255 . 8.468 . 13.018 . -0.584 -1.961 4.157 19 . 5712 M7G N7 . N7 . . N . . N 0 . . . . no no . . . . 2.546 . 7.200 . 13.107 . 0.607 -1.633 4.951 20 . 5712 M7G CM7 . CM7 . . C . . N 0 . . . . no no . . . . 3.715 . 6.625 . 13.762 . 1.133 -2.387 6.091 21 . 5712 M7G C5 . C5 . . C . . N 0 . . . . no no . . . . 1.539 . 6.346 . 12.451 . 1.143 -0.446 4.407 22 . 5712 M7G C6 . C6 . . C . . N 0 . . . . no no . . . . 1.359 . 5.107 . 12.262 . 2.268 0.310 4.766 23 . 5712 M7G O6 . O6 . . O . . N 0 . . . . no no . . . . 2.153 . 4.183 . 12.691 . 2.970 -0.028 5.707 24 . 5712 M7G N1 . N1 . . N . . N 0 . . . . no no . . . . 0.186 . 4.886 . 11.550 . 2.562 1.418 4.055 25 . 5712 M7G C2 . C2 . . C . . N 0 . . . . no no . . . . -0.681 . 5.853 . 11.090 . 1.772 1.784 3.008 26 . 5712 M7G N2 . N2 . . N . . N 0 . . . . no no . . . . -1.753 . 5.491 . 10.421 . 2.086 2.913 2.295 27 . 5712 M7G N3 . N3 . . N . . N 0 . . . . no no . . . . -0.476 . 7.133 . 11.294 . 0.714 1.083 2.668 28 . 5712 M7G C4 . C4 . . C . . N 0 . . . . no no . . . . 0.663 . 7.369 . 12.000 . 0.372 -0.031 3.333 29 . 5712 M7G HOA2 . HOA2 . . H . . N 0 . . . . no no . . . . 4.479 . 10.410 . 15.767 . -1.942 -0.025 -4.498 30 . 5712 M7G HOB2 . HOB2 . . H . . N 0 . . . . no no . . . . 5.359 . 16.146 . 16.102 . 2.310 -1.071 -7.191 31 . 5712 M7G HOB3 . HOB3 . . H . . N 0 . . . . no no . . . . 3.013 . 15.588 . 15.741 . -0.585 -0.447 -6.638 32 . 5712 M7G H5'1 . H5'1 . . H . . N 0 . . . . no no . . . . 1.780 . 13.570 . 13.694 . -2.220 0.848 -1.958 33 . 5712 M7G H5'2 . H5'2 . . H . . N 0 . . . . no no . . . . 2.692 . 12.784 . 12.482 . -0.710 1.127 -1.057 34 . 5712 M7G H4' . H4' . . H . . N 0 . . . . no no . . . . 0.149 . 12.659 . 12.560 . -2.873 -0.909 -0.324 35 . 5712 M7G H3' . H3' . . H . . N 0 . . . . no no . . . . 0.841 . 10.334 . 14.516 . -2.236 1.914 0.550 36 . 5712 M7G HO3' . HO3' . . H . . N 0 . . . . no no . . . . -1.051 . 11.162 . 15.493 . -4.464 1.792 1.069 37 . 5712 M7G H2' . H2' . . H . . N 0 . . . . no no . . . . -1.407 . 9.346 . 13.440 . -1.841 1.284 2.739 38 . 5712 M7G HO2' . HO2' . . H . . N 0 . . . . no no . . . . -2.425 . 10.533 . 11.815 . -4.147 1.232 2.930 39 . 5712 M7G H1' . H1' . . H . . N 0 . . . . no no . . . . -0.339 . 9.493 . 11.012 . -2.416 -1.631 2.183 40 . 5712 M7G H81 . H81 . . H . . N 0 . . . . no no . . . . 3.078 . 9.069 . 12.566 . -0.462 -2.933 3.679 41 . 5712 M7G H82 . H82 . . H . . N 0 . . . . no no . . . . 2.227 . 8.975 . 14.010 . -1.471 -1.960 4.790 42 . 5712 M7G HM71 . HM71 . . H . . N 0 . . . . no no . . . . 3.963 . 5.540 . 13.838 . 2.027 -1.895 6.472 43 . 5712 M7G HM72 . HM72 . . H . . N 0 . . . . no no . . . . 4.603 . 7.118 . 13.303 . 0.379 -2.429 6.878 44 . 5712 M7G HM73 . HM73 . . H . . N 0 . . . . no no . . . . 3.714 . 7.019 . 14.805 . 1.383 -3.399 5.773 45 . 5712 M7G HN1 . HN1 . . H . . N 0 . . . . no no . . . . -0.063 . 3.918 . 11.344 . 3.336 1.954 4.289 46 . 5712 M7G HN21 . HN21 . . H . . N 0 . . . . no no . . . . -2.394 . 6.206 . 10.080 . 1.531 3.185 1.548 47 . 5712 M7G HN22 . HN22 . . H . . N 0 . . . . no no . . . . -2.278 . 4.822 . 10.983 . 2.862 3.441 2.539 48 . 5712 M7G stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PA O1A no N 1 . 5712 M7G 2 . SING PA O2A no N 2 . 5712 M7G 3 . SING PA O3A no N 3 . 5712 M7G 4 . SING PA O5' no N 4 . 5712 M7G 5 . SING O2A HOA2 no N 5 . 5712 M7G 6 . SING O3A PB no N 6 . 5712 M7G 7 . SING O5' C5' no N 7 . 5712 M7G 8 . DOUB PB O1B no N 8 . 5712 M7G 9 . SING PB O2B no N 9 . 5712 M7G 10 . SING PB O3B no N 10 . 5712 M7G 11 . SING O2B HOB2 no N 11 . 5712 M7G 12 . SING O3B HOB3 no N 12 . 5712 M7G 13 . SING C5' C4' no N 13 . 5712 M7G 14 . SING C5' H5'1 no N 14 . 5712 M7G 15 . SING C5' H5'2 no N 15 . 5712 M7G 16 . SING C4' O4' no N 16 . 5712 M7G 17 . SING C4' C3' no N 17 . 5712 M7G 18 . SING C4' H4' no N 18 . 5712 M7G 19 . SING O4' C1' no N 19 . 5712 M7G 20 . SING C3' O3' no N 20 . 5712 M7G 21 . SING C3' C2' no N 21 . 5712 M7G 22 . SING C3' H3' no N 22 . 5712 M7G 23 . SING O3' HO3' no N 23 . 5712 M7G 24 . SING C2' O2' no N 24 . 5712 M7G 25 . SING C2' C1' no N 25 . 5712 M7G 26 . SING C2' H2' no N 26 . 5712 M7G 27 . SING O2' HO2' no N 27 . 5712 M7G 28 . SING C1' N9 no N 28 . 5712 M7G 29 . SING C1' H1' no N 29 . 5712 M7G 30 . SING N9 C8 no N 30 . 5712 M7G 31 . SING N9 C4 no N 31 . 5712 M7G 32 . SING C8 N7 no N 32 . 5712 M7G 33 . SING C8 H81 no N 33 . 5712 M7G 34 . SING C8 H82 no N 34 . 5712 M7G 35 . SING N7 CM7 no N 35 . 5712 M7G 36 . SING N7 C5 no N 36 . 5712 M7G 37 . SING CM7 HM71 no N 37 . 5712 M7G 38 . SING CM7 HM72 no N 38 . 5712 M7G 39 . SING CM7 HM73 no N 39 . 5712 M7G 40 . SING C5 C6 no N 40 . 5712 M7G 41 . DOUB C5 C4 no N 41 . 5712 M7G 42 . DOUB C6 O6 no N 42 . 5712 M7G 43 . SING C6 N1 no N 43 . 5712 M7G 44 . SING N1 C2 no N 44 . 5712 M7G 45 . SING N1 HN1 no N 45 . 5712 M7G 46 . SING C2 N2 no N 46 . 5712 M7G 47 . DOUB C2 N3 no N 47 . 5712 M7G 48 . SING N2 HN21 no N 48 . 5712 M7G 49 . SING N2 HN22 no N 49 . 5712 M7G 50 . SING N3 C4 no N 50 . 5712 M7G stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5712 _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 4E' '[U-85% 2H;U-95% 13C; U-95% 15N]' . . 1 $eIF4E . . 0.8 . . mM . . . . 5712 1 2 'eIF4E binding region' . . . 2 $eIF4E_binding_region . . 0.8 . . mM . . . . 5712 1 3 'ammonium acetate' . . . . . . . 75 . . mM . . . . 5712 1 4 'ammonium sulfate' . . . . . . . 100 . . mM . . . . 5712 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5712 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.1 n/a 5712 1 temperature 298 1 K 5712 1 'ionic strength' 0.65 0.01 M 5712 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5712 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 5712 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker Avance . 600 . . . 5712 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 5712 _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 TROSY-HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5712 1 2 TROSY-HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5712 1 3 TROSY-HN(CO)CA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5712 1 4 TROSY-HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5712 1 5 TROSY-HN(CO)CACB . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5712 1 6 1H-15N-NOESY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5712 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5712 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name TROSY-HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5712 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name TROSY-HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5712 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name TROSY-HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5712 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name TROSY-HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5712 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name TROSY-HN(CO)CACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5712 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 1H-15N-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5712 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 . direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5712 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5712 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5712 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode set_1 _Assigned_chem_shift_list.Entry_ID 5712 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 . 5712 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 3 3 THR CA C 13 61.7 0.20 . 1 . . . . . . . . 5712 1 2 . 1 1 3 3 THR CB C 13 69.2 0.20 . 1 . . . . . . . . 5712 1 3 . 1 1 3 3 THR C C 13 174.1 0.20 . 1 . . . . . . . . 5712 1 4 . 1 1 4 4 VAL N N 15 124.0 0.15 . 1 . . . . . . . . 5712 1 5 . 1 1 4 4 VAL H H 1 8.14 0.05 . 1 . . . . . . . . 5712 1 6 . 1 1 4 4 VAL CA C 13 61.5 0.20 . 1 . . . . . . . . 5712 1 7 . 1 1 4 4 VAL CB C 13 32.0 0.20 . 1 . . . . . . . . 5712 1 8 . 1 1 4 4 VAL C C 13 175.7 0.20 . 1 . . . . . . . . 5712 1 9 . 1 1 5 5 GLU N N 15 127.3 0.15 . 1 . . . . . . . . 5712 1 10 . 1 1 5 5 GLU H H 1 8.36 0.05 . 1 . . . . . . . . 5712 1 11 . 1 1 5 5 GLU CA C 13 53.7 0.20 . 1 . . . . . . . . 5712 1 12 . 1 1 5 5 GLU CB C 13 28.8 0.20 . 1 . . . . . . . . 5712 1 13 . 1 1 6 6 PRO CA C 13 62.4 0.20 . 1 . . . . . . . . 5712 1 14 . 1 1 6 6 PRO CB C 13 31.0 0.20 . 1 . . . . . . . . 5712 1 15 . 1 1 6 6 PRO C C 13 176.8 0.20 . 1 . . . . . . . . 5712 1 16 . 1 1 7 7 GLU N N 15 121.7 0.15 . 1 . . . . . . . . 5712 1 17 . 1 1 7 7 GLU H H 1 8.39 0.05 . 1 . . . . . . . . 5712 1 18 . 1 1 7 7 GLU CA C 13 56.2 0.20 . 1 . . . . . . . . 5712 1 19 . 1 1 7 7 GLU CB C 13 29.4 0.20 . 1 . . . . . . . . 5712 1 20 . 1 1 7 7 GLU C C 13 176.7 0.20 . 1 . . . . . . . . 5712 1 21 . 1 1 8 8 THR N N 15 116.3 0.15 . 1 . . . . . . . . 5712 1 22 . 1 1 8 8 THR H H 1 8.07 0.05 . 1 . . . . . . . . 5712 1 23 . 1 1 8 8 THR CA C 13 61.2 0.20 . 1 . . . . . . . . 5712 1 24 . 1 1 8 8 THR CB C 13 69.3 0.20 . 1 . . . . . . . . 5712 1 25 . 1 1 8 8 THR C C 13 174.4 0.20 . 1 . . . . . . . . 5712 1 26 . 1 1 9 9 THR N N 15 120.2 0.15 . 1 . . . . . . . . 5712 1 27 . 1 1 9 9 THR H H 1 8.12 0.05 . 1 . . . . . . . . 5712 1 28 . 1 1 9 9 THR CA C 13 59.4 0.20 . 1 . . . . . . . . 5712 1 29 . 1 1 9 9 THR CB C 13 69.3 0.20 . 1 . . . . . . . . 5712 1 30 . 1 1 10 10 PRO CA C 13 62.5 0.20 . 1 . . . . . . . . 5712 1 31 . 1 1 10 10 PRO CB C 13 31.2 0.20 . 1 . . . . . . . . 5712 1 32 . 1 1 10 10 PRO C C 13 176.8 0.20 . 1 . . . . . . . . 5712 1 33 . 1 1 11 11 THR N N 15 118.5 0.15 . 1 . . . . . . . . 5712 1 34 . 1 1 11 11 THR H H 1 8.20 0.05 . 1 . . . . . . . . 5712 1 35 . 1 1 11 11 THR CA C 13 59.3 0.20 . 1 . . . . . . . . 5712 1 36 . 1 1 11 11 THR CB C 13 69.3 0.20 . 1 . . . . . . . . 5712 1 37 . 1 1 12 12 PRO CA C 13 62.8 0.20 . 1 . . . . . . . . 5712 1 38 . 1 1 12 12 PRO CB C 13 31.2 0.20 . 1 . . . . . . . . 5712 1 39 . 1 1 12 12 PRO C C 13 175.2 0.20 . 1 . . . . . . . . 5712 1 40 . 1 1 13 13 ASN N N 15 120.0 0.15 . 1 . . . . . . . . 5712 1 41 . 1 1 13 13 ASN H H 1 8.04 0.05 . 1 . . . . . . . . 5712 1 42 . 1 1 13 13 ASN CA C 13 49.9 0.20 . 1 . . . . . . . . 5712 1 43 . 1 1 13 13 ASN CB C 13 40.1 0.20 . 1 . . . . . . . . 5712 1 44 . 1 1 15 15 PRO CA C 13 62.3 0.20 . 1 . . . . . . . . 5712 1 45 . 1 1 15 15 PRO CB C 13 31.1 0.20 . 1 . . . . . . . . 5712 1 46 . 1 1 15 15 PRO C C 13 177.1 0.20 . 1 . . . . . . . . 5712 1 47 . 1 1 16 16 THR N N 15 115.2 0.15 . 1 . . . . . . . . 5712 1 48 . 1 1 16 16 THR H H 1 8.16 0.05 . 1 . . . . . . . . 5712 1 49 . 1 1 16 16 THR CA C 13 61.3 0.20 . 1 . . . . . . . . 5712 1 50 . 1 1 16 16 THR CB C 13 69.3 0.20 . 1 . . . . . . . . 5712 1 51 . 1 1 16 16 THR C C 13 174.7 0.20 . 1 . . . . . . . . 5712 1 52 . 1 1 17 17 THR N N 15 116.6 0.15 . 1 . . . . . . . . 5712 1 53 . 1 1 17 17 THR H H 1 8.04 0.05 . 1 . . . . . . . . 5712 1 54 . 1 1 17 17 THR CA C 13 61.3 0.20 . 1 . . . . . . . . 5712 1 55 . 1 1 17 17 THR CB C 13 69.3 0.20 . 1 . . . . . . . . 5712 1 56 . 1 1 17 17 THR C C 13 174.5 0.20 . 1 . . . . . . . . 5712 1 57 . 1 1 18 18 GLU N N 15 123.8 0.15 . 1 . . . . . . . . 5712 1 58 . 1 1 18 18 GLU H H 1 8.32 0.05 . 1 . . . . . . . . 5712 1 59 . 1 1 18 18 GLU CA C 13 56.0 0.20 . 1 . . . . . . . . 5712 1 60 . 1 1 18 18 GLU CB C 13 29.4 0.20 . 1 . . . . . . . . 5712 1 61 . 1 1 19 19 GLU CA C 13 56.3 0.20 . 1 . . . . . . . . 5712 1 62 . 1 1 19 19 GLU CB C 13 29.4 0.20 . 1 . . . . . . . . 5712 1 63 . 1 1 19 19 GLU C C 13 176.5 0.20 . 1 . . . . . . . . 5712 1 64 . 1 1 20 20 GLU N N 15 122.4 0.15 . 1 . . . . . . . . 5712 1 65 . 1 1 20 20 GLU H H 1 8.26 0.05 . 1 . . . . . . . . 5712 1 66 . 1 1 20 20 GLU CA C 13 56.3 0.20 . 1 . . . . . . . . 5712 1 67 . 1 1 20 20 GLU CB C 13 29.3 0.20 . 1 . . . . . . . . 5712 1 68 . 1 1 20 20 GLU C C 13 176.5 0.20 . 1 . . . . . . . . 5712 1 69 . 1 1 21 21 LYS N N 15 123.7 0.15 . 1 . . . . . . . . 5712 1 70 . 1 1 21 21 LYS H H 1 8.21 0.05 . 1 . . . . . . . . 5712 1 71 . 1 1 21 21 LYS CA C 13 55.8 0.20 . 1 . . . . . . . . 5712 1 72 . 1 1 21 21 LYS CB C 13 31.9 0.20 . 1 . . . . . . . . 5712 1 73 . 1 1 21 21 LYS C C 13 176.7 0.20 . 1 . . . . . . . . 5712 1 74 . 1 1 22 22 THR N N 15 116.8 0.15 . 1 . . . . . . . . 5712 1 75 . 1 1 22 22 THR H H 1 8.10 0.05 . 1 . . . . . . . . 5712 1 76 . 1 1 22 22 THR CA C 13 61.3 0.20 . 1 . . . . . . . . 5712 1 77 . 1 1 22 22 THR CB C 13 69.3 0.20 . 1 . . . . . . . . 5712 1 78 . 1 1 22 22 THR C C 13 174.7 0.20 . 1 . . . . . . . . 5712 1 79 . 1 1 23 23 GLU N N 15 123.7 0.15 . 1 . . . . . . . . 5712 1 80 . 1 1 23 23 GLU H H 1 8.31 0.05 . 1 . . . . . . . . 5712 1 81 . 1 1 23 23 GLU CA C 13 56.1 0.20 . 1 . . . . . . . . 5712 1 82 . 1 1 23 23 GLU CB C 13 29.3 0.20 . 1 . . . . . . . . 5712 1 83 . 1 1 23 23 GLU C C 13 176.5 0.20 . 1 . . . . . . . . 5712 1 84 . 1 1 24 24 SER N N 15 117.6 0.15 . 1 . . . . . . . . 5712 1 85 . 1 1 24 24 SER H H 1 8.23 0.05 . 1 . . . . . . . . 5712 1 86 . 1 1 24 24 SER CA C 13 58.0 0.20 . 1 . . . . . . . . 5712 1 87 . 1 1 24 24 SER CB C 13 63.6 0.20 . 1 . . . . . . . . 5712 1 88 . 1 1 24 24 SER C C 13 174.3 0.20 . 1 . . . . . . . . 5712 1 89 . 1 1 25 25 ASN N N 15 121.5 0.15 . 1 . . . . . . . . 5712 1 90 . 1 1 25 25 ASN H H 1 8.33 0.05 . 1 . . . . . . . . 5712 1 91 . 1 1 25 25 ASN CA C 13 53.0 0.20 . 1 . . . . . . . . 5712 1 92 . 1 1 25 25 ASN CB C 13 38.2 0.20 . 1 . . . . . . . . 5712 1 93 . 1 1 25 25 ASN C C 13 175.1 0.20 . 1 . . . . . . . . 5712 1 94 . 1 1 26 26 GLN N N 15 121.0 0.15 . 1 . . . . . . . . 5712 1 95 . 1 1 26 26 GLN H H 1 8.17 0.05 . 1 . . . . . . . . 5712 1 96 . 1 1 26 26 GLN CA C 13 55.5 0.20 . 1 . . . . . . . . 5712 1 97 . 1 1 26 26 GLN CB C 13 28.8 0.20 . 1 . . . . . . . . 5712 1 98 . 1 1 26 26 GLN C C 13 175.8 0.20 . 1 . . . . . . . . 5712 1 99 . 1 1 27 27 GLU N N 15 122.9 0.15 . 1 . . . . . . . . 5712 1 100 . 1 1 27 27 GLU H H 1 8.25 0.05 . 1 . . . . . . . . 5712 1 101 . 1 1 27 27 GLU CA C 13 56.1 0.20 . 1 . . . . . . . . 5712 1 102 . 1 1 27 27 GLU CB C 13 29.3 0.20 . 1 . . . . . . . . 5712 1 103 . 1 1 27 27 GLU C C 13 176.4 0.20 . 1 . . . . . . . . 5712 1 104 . 1 1 28 28 VAL N N 15 121.9 0.15 . 1 . . . . . . . . 5712 1 105 . 1 1 28 28 VAL H H 1 7.97 0.05 . 1 . . . . . . . . 5712 1 106 . 1 1 28 28 VAL CA C 13 61.6 0.20 . 1 . . . . . . . . 5712 1 107 . 1 1 28 28 VAL CB C 13 31.9 0.20 . 1 . . . . . . . . 5712 1 108 . 1 1 28 28 VAL C C 13 175.7 0.20 . 1 . . . . . . . . 5712 1 109 . 1 1 29 29 ALA N N 15 128.2 0.15 . 1 . . . . . . . . 5712 1 110 . 1 1 29 29 ALA H H 1 8.20 0.05 . 1 . . . . . . . . 5712 1 111 . 1 1 29 29 ALA CA C 13 51.8 0.20 . 1 . . . . . . . . 5712 1 112 . 1 1 29 29 ALA CB C 13 18.5 0.20 . 1 . . . . . . . . 5712 1 113 . 1 1 29 29 ALA C C 13 177.0 0.20 . 1 . . . . . . . . 5712 1 114 . 1 1 30 30 ASN N N 15 119.5 0.15 . 1 . . . . . . . . 5712 1 115 . 1 1 30 30 ASN H H 1 8.25 0.05 . 1 . . . . . . . . 5712 1 116 . 1 1 30 30 ASN CA C 13 50.8 0.20 . 1 . . . . . . . . 5712 1 117 . 1 1 30 30 ASN CB C 13 38.1 0.20 . 1 . . . . . . . . 5712 1 118 . 1 1 31 31 PRO CA C 13 63.1 0.20 . 1 . . . . . . . . 5712 1 119 . 1 1 31 31 PRO CB C 13 31.1 0.20 . 1 . . . . . . . . 5712 1 120 . 1 1 31 31 PRO C C 13 177.1 0.20 . 1 . . . . . . . . 5712 1 121 . 1 1 32 32 GLU N N 15 120.2 0.15 . 1 . . . . . . . . 5712 1 122 . 1 1 32 32 GLU H H 1 8.25 0.05 . 1 . . . . . . . . 5712 1 123 . 1 1 32 32 GLU CA C 13 56.4 0.20 . 1 . . . . . . . . 5712 1 124 . 1 1 32 32 GLU CB C 13 28.9 0.20 . 1 . . . . . . . . 5712 1 125 . 1 1 32 32 GLU C C 13 176.4 0.20 . 1 . . . . . . . . 5712 1 126 . 1 1 33 33 HIS N N 15 119.5 0.15 . 1 . . . . . . . . 5712 1 127 . 1 1 33 33 HIS H H 1 7.94 0.05 . 1 . . . . . . . . 5712 1 128 . 1 1 33 33 HIS CA C 13 55.1 0.20 . 1 . . . . . . . . 5712 1 129 . 1 1 33 33 HIS CB C 13 29.7 0.20 . 1 . . . . . . . . 5712 1 130 . 1 1 33 33 HIS C C 13 174.3 0.20 . 1 . . . . . . . . 5712 1 131 . 1 1 34 34 TYR N N 15 122.9 0.15 . 1 . . . . . . . . 5712 1 132 . 1 1 34 34 TYR H H 1 7.94 0.05 . 1 . . . . . . . . 5712 1 133 . 1 1 34 34 TYR CA C 13 57.9 0.20 . 1 . . . . . . . . 5712 1 134 . 1 1 34 34 TYR CB C 13 38.2 0.20 . 1 . . . . . . . . 5712 1 135 . 1 1 34 34 TYR C C 13 174.9 0.20 . 1 . . . . . . . . 5712 1 136 . 1 1 35 35 ILE N N 15 126.3 0.15 . 1 . . . . . . . . 5712 1 137 . 1 1 35 35 ILE H H 1 7.63 0.05 . 1 . . . . . . . . 5712 1 138 . 1 1 35 35 ILE CA C 13 59.9 0.20 . 1 . . . . . . . . 5712 1 139 . 1 1 35 35 ILE CB C 13 37.6 0.20 . 1 . . . . . . . . 5712 1 140 . 1 1 35 35 ILE C C 13 175.2 0.20 . 1 . . . . . . . . 5712 1 141 . 1 1 36 36 LYS N N 15 124.4 0.15 . 1 . . . . . . . . 5712 1 142 . 1 1 36 36 LYS H H 1 7.85 0.05 . 1 . . . . . . . . 5712 1 143 . 1 1 36 36 LYS CA C 13 55.6 0.20 . 1 . . . . . . . . 5712 1 144 . 1 1 36 36 LYS CB C 13 33.5 0.20 . 1 . . . . . . . . 5712 1 145 . 1 1 36 36 LYS C C 13 176.1 0.20 . 1 . . . . . . . . 5712 1 146 . 1 1 37 37 HIS N N 15 122.2 0.15 . 1 . . . . . . . . 5712 1 147 . 1 1 37 37 HIS H H 1 10.73 0.05 . 1 . . . . . . . . 5712 1 148 . 1 1 37 37 HIS CA C 13 54.3 0.20 . 1 . . . . . . . . 5712 1 149 . 1 1 37 37 HIS CB C 13 27.4 0.20 . 1 . . . . . . . . 5712 1 150 . 1 1 38 38 PRO CA C 13 62.4 0.20 . 1 . . . . . . . . 5712 1 151 . 1 1 38 38 PRO CB C 13 32.3 0.20 . 1 . . . . . . . . 5712 1 152 . 1 1 38 38 PRO C C 13 177.0 0.20 . 1 . . . . . . . . 5712 1 153 . 1 1 39 39 LEU N N 15 122.0 0.15 . 1 . . . . . . . . 5712 1 154 . 1 1 39 39 LEU H H 1 8.15 0.05 . 1 . . . . . . . . 5712 1 155 . 1 1 39 39 LEU CA C 13 52.4 0.20 . 1 . . . . . . . . 5712 1 156 . 1 1 39 39 LEU CB C 13 41.8 0.20 . 1 . . . . . . . . 5712 1 157 . 1 1 39 39 LEU C C 13 177.5 0.20 . 1 . . . . . . . . 5712 1 158 . 1 1 40 40 GLN N N 15 122.7 0.15 . 1 . . . . . . . . 5712 1 159 . 1 1 40 40 GLN H H 1 9.45 0.05 . 1 . . . . . . . . 5712 1 160 . 1 1 40 40 GLN CA C 13 57.5 0.20 . 1 . . . . . . . . 5712 1 161 . 1 1 40 40 GLN CB C 13 27.4 0.20 . 1 . . . . . . . . 5712 1 162 . 1 1 40 40 GLN C C 13 175.5 0.20 . 1 . . . . . . . . 5712 1 163 . 1 1 41 41 ASN N N 15 113.6 0.15 . 1 . . . . . . . . 5712 1 164 . 1 1 41 41 ASN H H 1 7.86 0.05 . 1 . . . . . . . . 5712 1 165 . 1 1 41 41 ASN CA C 13 51.3 0.20 . 1 . . . . . . . . 5712 1 166 . 1 1 41 41 ASN CB C 13 42.0 0.20 . 1 . . . . . . . . 5712 1 167 . 1 1 41 41 ASN C C 13 171.0 0.20 . 1 . . . . . . . . 5712 1 168 . 1 1 42 42 ARG N N 15 117.3 0.15 . 1 . . . . . . . . 5712 1 169 . 1 1 42 42 ARG H H 1 7.82 0.05 . 1 . . . . . . . . 5712 1 170 . 1 1 42 42 ARG CA C 13 53.8 0.20 . 1 . . . . . . . . 5712 1 171 . 1 1 42 42 ARG CB C 13 30.2 0.20 . 1 . . . . . . . . 5712 1 172 . 1 1 42 42 ARG C C 13 174.8 0.20 . 1 . . . . . . . . 5712 1 173 . 1 1 43 43 TRP N N 15 126.0 0.15 . 1 . . . . . . . . 5712 1 174 . 1 1 43 43 TRP H H 1 8.07 0.05 . 1 . . . . . . . . 5712 1 175 . 1 1 43 43 TRP CA C 13 55.5 0.20 . 1 . . . . . . . . 5712 1 176 . 1 1 43 43 TRP CB C 13 32.6 0.20 . 1 . . . . . . . . 5712 1 177 . 1 1 43 43 TRP C C 13 173.2 0.20 . 1 . . . . . . . . 5712 1 178 . 1 1 44 44 ALA N N 15 122.2 0.15 . 1 . . . . . . . . 5712 1 179 . 1 1 44 44 ALA H H 1 9.20 0.05 . 1 . . . . . . . . 5712 1 180 . 1 1 44 44 ALA CA C 13 49.9 0.20 . 1 . . . . . . . . 5712 1 181 . 1 1 44 44 ALA CB C 13 22.1 0.20 . 1 . . . . . . . . 5712 1 182 . 1 1 44 44 ALA C C 13 174.9 0.20 . 1 . . . . . . . . 5712 1 183 . 1 1 45 45 LEU N N 15 124.7 0.15 . 1 . . . . . . . . 5712 1 184 . 1 1 45 45 LEU H H 1 8.59 0.05 . 1 . . . . . . . . 5712 1 185 . 1 1 45 45 LEU CA C 13 53.2 0.20 . 1 . . . . . . . . 5712 1 186 . 1 1 45 45 LEU CB C 13 43.9 0.20 . 1 . . . . . . . . 5712 1 187 . 1 1 45 45 LEU C C 13 174.5 0.20 . 1 . . . . . . . . 5712 1 188 . 1 1 46 46 TRP N N 15 128.9 0.15 . 1 . . . . . . . . 5712 1 189 . 1 1 46 46 TRP H H 1 10.19 0.05 . 1 . . . . . . . . 5712 1 190 . 1 1 46 46 TRP CA C 13 55.5 0.20 . 1 . . . . . . . . 5712 1 191 . 1 1 46 46 TRP CB C 13 31.2 0.20 . 1 . . . . . . . . 5712 1 192 . 1 1 46 46 TRP C C 13 174.6 0.20 . 1 . . . . . . . . 5712 1 193 . 1 1 47 47 PHE N N 15 122.5 0.15 . 1 . . . . . . . . 5712 1 194 . 1 1 47 47 PHE H H 1 9.71 0.05 . 1 . . . . . . . . 5712 1 195 . 1 1 47 47 PHE CA C 13 55.1 0.20 . 1 . . . . . . . . 5712 1 196 . 1 1 47 47 PHE CB C 13 43.9 0.20 . 1 . . . . . . . . 5712 1 197 . 1 1 47 47 PHE C C 13 172.5 0.20 . 1 . . . . . . . . 5712 1 198 . 1 1 48 48 PHE N N 15 129.4 0.15 . 1 . . . . . . . . 5712 1 199 . 1 1 48 48 PHE H H 1 7.79 0.05 . 1 . . . . . . . . 5712 1 200 . 1 1 48 48 PHE CA C 13 56.0 0.20 . 1 . . . . . . . . 5712 1 201 . 1 1 48 48 PHE CB C 13 43.0 0.20 . 1 . . . . . . . . 5712 1 202 . 1 1 48 48 PHE C C 13 172.6 0.20 . 1 . . . . . . . . 5712 1 203 . 1 1 49 49 LYS N N 15 124.8 0.15 . 1 . . . . . . . . 5712 1 204 . 1 1 49 49 LYS H H 1 6.23 0.05 . 1 . . . . . . . . 5712 1 205 . 1 1 49 49 LYS CA C 13 54.5 0.20 . 1 . . . . . . . . 5712 1 206 . 1 1 49 49 LYS CB C 13 33.5 0.20 . 1 . . . . . . . . 5712 1 207 . 1 1 49 49 LYS C C 13 174.4 0.20 . 1 . . . . . . . . 5712 1 208 . 1 1 50 50 ASN N N 15 121.2 0.15 . 1 . . . . . . . . 5712 1 209 . 1 1 50 50 ASN H H 1 7.18 0.05 . 1 . . . . . . . . 5712 1 210 . 1 1 50 50 ASN CA C 13 53.6 0.20 . 1 . . . . . . . . 5712 1 211 . 1 1 50 50 ASN CB C 13 37.3 0.20 . 1 . . . . . . . . 5712 1 212 . 1 1 50 50 ASN C C 13 174.4 0.20 . 1 . . . . . . . . 5712 1 213 . 1 1 51 51 ASP N N 15 123.1 0.15 . 1 . . . . . . . . 5712 1 214 . 1 1 51 51 ASP H H 1 7.31 0.05 . 1 . . . . . . . . 5712 1 215 . 1 1 51 51 ASP CA C 13 53.2 0.20 . 1 . . . . . . . . 5712 1 216 . 1 1 51 51 ASP CB C 13 40.1 0.20 . 1 . . . . . . . . 5712 1 217 . 1 1 51 51 ASP C C 13 177.2 0.20 . 1 . . . . . . . . 5712 1 218 . 1 1 52 52 LYS N N 15 125.3 0.15 . 1 . . . . . . . . 5712 1 219 . 1 1 52 52 LYS H H 1 8.54 0.05 . 1 . . . . . . . . 5712 1 220 . 1 1 52 52 LYS CA C 13 57.1 0.20 . 1 . . . . . . . . 5712 1 221 . 1 1 52 52 LYS CB C 13 30.7 0.20 . 1 . . . . . . . . 5712 1 222 . 1 1 52 52 LYS C C 13 176.9 0.20 . 1 . . . . . . . . 5712 1 223 . 1 1 53 53 SER N N 15 116.0 0.15 . 1 . . . . . . . . 5712 1 224 . 1 1 53 53 SER H H 1 8.48 0.05 . 1 . . . . . . . . 5712 1 225 . 1 1 53 53 SER CA C 13 58.9 0.20 . 1 . . . . . . . . 5712 1 226 . 1 1 53 53 SER CB C 13 63.6 0.20 . 1 . . . . . . . . 5712 1 227 . 1 1 53 53 SER C C 13 173.7 0.20 . 1 . . . . . . . . 5712 1 228 . 1 1 54 54 LYS N N 15 123.2 0.15 . 1 . . . . . . . . 5712 1 229 . 1 1 54 54 LYS H H 1 7.56 0.05 . 1 . . . . . . . . 5712 1 230 . 1 1 54 54 LYS CA C 13 54.3 0.20 . 1 . . . . . . . . 5712 1 231 . 1 1 54 54 LYS CB C 13 34.5 0.20 . 1 . . . . . . . . 5712 1 232 . 1 1 54 54 LYS C C 13 176.1 0.20 . 1 . . . . . . . . 5712 1 233 . 1 1 55 55 THR N N 15 113.0 0.15 . 1 . . . . . . . . 5712 1 234 . 1 1 55 55 THR H H 1 7.79 0.05 . 1 . . . . . . . . 5712 1 235 . 1 1 55 55 THR CA C 13 61.1 0.20 . 1 . . . . . . . . 5712 1 236 . 1 1 55 55 THR CB C 13 69.7 0.20 . 1 . . . . . . . . 5712 1 237 . 1 1 55 55 THR C C 13 174.3 0.20 . 1 . . . . . . . . 5712 1 238 . 1 1 56 56 TRP N N 15 123.4 0.15 . 1 . . . . . . . . 5712 1 239 . 1 1 56 56 TRP H H 1 8.43 0.05 . 1 . . . . . . . . 5712 1 240 . 1 1 56 56 TRP CA C 13 63.7 0.20 . 1 . . . . . . . . 5712 1 241 . 1 1 56 56 TRP CB C 13 28.4 0.20 . 1 . . . . . . . . 5712 1 242 . 1 1 56 56 TRP C C 13 178.1 0.20 . 1 . . . . . . . . 5712 1 243 . 1 1 57 57 GLN N N 15 113.7 0.15 . 1 . . . . . . . . 5712 1 244 . 1 1 57 57 GLN H H 1 8.76 0.05 . 1 . . . . . . . . 5712 1 245 . 1 1 57 57 GLN CA C 13 58.9 0.20 . 1 . . . . . . . . 5712 1 246 . 1 1 57 57 GLN CB C 13 26.9 0.20 . 1 . . . . . . . . 5712 1 247 . 1 1 57 57 GLN C C 13 178.1 0.20 . 1 . . . . . . . . 5712 1 248 . 1 1 58 58 ALA N N 15 120.5 0.15 . 1 . . . . . . . . 5712 1 249 . 1 1 58 58 ALA H H 1 7.29 0.05 . 1 . . . . . . . . 5712 1 250 . 1 1 58 58 ALA CA C 13 52.8 0.20 . 1 . . . . . . . . 5712 1 251 . 1 1 58 58 ALA CB C 13 18.0 0.20 . 1 . . . . . . . . 5712 1 252 . 1 1 58 58 ALA C C 13 177.9 0.20 . 1 . . . . . . . . 5712 1 253 . 1 1 59 59 ASN N N 15 117.1 0.15 . 1 . . . . . . . . 5712 1 254 . 1 1 59 59 ASN H H 1 7.17 0.05 . 1 . . . . . . . . 5712 1 255 . 1 1 59 59 ASN CA C 13 52.7 0.20 . 1 . . . . . . . . 5712 1 256 . 1 1 59 59 ASN CB C 13 39.6 0.20 . 1 . . . . . . . . 5712 1 257 . 1 1 59 59 ASN C C 13 174.6 0.20 . 1 . . . . . . . . 5712 1 258 . 1 1 60 60 LEU N N 15 121.9 0.15 . 1 . . . . . . . . 5712 1 259 . 1 1 60 60 LEU H H 1 6.62 0.05 . 1 . . . . . . . . 5712 1 260 . 1 1 60 60 LEU CA C 13 54.6 0.20 . 1 . . . . . . . . 5712 1 261 . 1 1 60 60 LEU CB C 13 43.1 0.20 . 1 . . . . . . . . 5712 1 262 . 1 1 60 60 LEU C C 13 177.3 0.20 . 1 . . . . . . . . 5712 1 263 . 1 1 61 61 ARG N N 15 123.2 0.15 . 1 . . . . . . . . 5712 1 264 . 1 1 61 61 ARG H H 1 9.22 0.05 . 1 . . . . . . . . 5712 1 265 . 1 1 61 61 ARG CA C 13 54.2 0.20 . 1 . . . . . . . . 5712 1 266 . 1 1 61 61 ARG CB C 13 33.0 0.20 . 1 . . . . . . . . 5712 1 267 . 1 1 61 61 ARG C C 13 174.1 0.20 . 1 . . . . . . . . 5712 1 268 . 1 1 62 62 LEU N N 15 129.7 0.15 . 1 . . . . . . . . 5712 1 269 . 1 1 62 62 LEU H H 1 8.53 0.05 . 1 . . . . . . . . 5712 1 270 . 1 1 62 62 LEU CA C 13 55.3 0.20 . 1 . . . . . . . . 5712 1 271 . 1 1 62 62 LEU CB C 13 40.1 0.20 . 1 . . . . . . . . 5712 1 272 . 1 1 62 62 LEU C C 13 176.8 0.20 . 1 . . . . . . . . 5712 1 273 . 1 1 63 63 ILE N N 15 128.4 0.15 . 1 . . . . . . . . 5712 1 274 . 1 1 63 63 ILE H H 1 9.34 0.05 . 1 . . . . . . . . 5712 1 275 . 1 1 63 63 ILE CA C 13 61.8 0.20 . 1 . . . . . . . . 5712 1 276 . 1 1 63 63 ILE CB C 13 36.3 0.20 . 1 . . . . . . . . 5712 1 277 . 1 1 63 63 ILE C C 13 176.0 0.20 . 1 . . . . . . . . 5712 1 278 . 1 1 64 64 SER N N 15 109.5 0.15 . 1 . . . . . . . . 5712 1 279 . 1 1 64 64 SER H H 1 7.16 0.05 . 1 . . . . . . . . 5712 1 280 . 1 1 64 64 SER CA C 13 57.4 0.20 . 1 . . . . . . . . 5712 1 281 . 1 1 64 64 SER CB C 13 64.6 0.20 . 1 . . . . . . . . 5712 1 282 . 1 1 64 64 SER C C 13 172.1 0.20 . 1 . . . . . . . . 5712 1 283 . 1 1 65 65 LYS N N 15 119.5 0.15 . 1 . . . . . . . . 5712 1 284 . 1 1 65 65 LYS H H 1 8.09 0.05 . 1 . . . . . . . . 5712 1 285 . 1 1 65 65 LYS CA C 13 54.6 0.20 . 1 . . . . . . . . 5712 1 286 . 1 1 65 65 LYS CB C 13 35.5 0.20 . 1 . . . . . . . . 5712 1 287 . 1 1 65 65 LYS C C 13 176.1 0.20 . 1 . . . . . . . . 5712 1 288 . 1 1 66 66 PHE N N 15 115.2 0.15 . 1 . . . . . . . . 5712 1 289 . 1 1 66 66 PHE H H 1 8.37 0.05 . 1 . . . . . . . . 5712 1 290 . 1 1 66 66 PHE CA C 13 56.6 0.20 . 1 . . . . . . . . 5712 1 291 . 1 1 66 66 PHE CB C 13 41.5 0.20 . 1 . . . . . . . . 5712 1 292 . 1 1 66 66 PHE C C 13 174.5 0.20 . 1 . . . . . . . . 5712 1 293 . 1 1 67 67 ASP N N 15 116.5 0.15 . 1 . . . . . . . . 5712 1 294 . 1 1 67 67 ASP H H 1 9.29 0.05 . 1 . . . . . . . . 5712 1 295 . 1 1 67 67 ASP CA C 13 53.7 0.20 . 1 . . . . . . . . 5712 1 296 . 1 1 67 67 ASP CB C 13 41.0 0.20 . 1 . . . . . . . . 5712 1 297 . 1 1 67 67 ASP C C 13 177.3 0.20 . 1 . . . . . . . . 5712 1 298 . 1 1 68 68 THR N N 15 106.9 0.15 . 1 . . . . . . . . 5712 1 299 . 1 1 68 68 THR H H 1 7.40 0.05 . 1 . . . . . . . . 5712 1 300 . 1 1 68 68 THR CA C 13 59.8 0.20 . 1 . . . . . . . . 5712 1 301 . 1 1 68 68 THR CB C 13 73.3 0.20 . 1 . . . . . . . . 5712 1 302 . 1 1 68 68 THR C C 13 174.1 0.20 . 1 . . . . . . . . 5712 1 303 . 1 1 69 69 VAL N N 15 122.6 0.15 . 1 . . . . . . . . 5712 1 304 . 1 1 69 69 VAL H H 1 8.70 0.05 . 1 . . . . . . . . 5712 1 305 . 1 1 69 69 VAL CA C 13 66.1 0.20 . 1 . . . . . . . . 5712 1 306 . 1 1 69 69 VAL CB C 13 31.9 0.20 . 1 . . . . . . . . 5712 1 307 . 1 1 69 69 VAL C C 13 176.9 0.20 . 1 . . . . . . . . 5712 1 308 . 1 1 70 70 GLU N N 15 119.5 0.15 . 1 . . . . . . . . 5712 1 309 . 1 1 70 70 GLU H H 1 10.50 0.05 . 1 . . . . . . . . 5712 1 310 . 1 1 70 70 GLU CA C 13 61.0 0.20 . 1 . . . . . . . . 5712 1 311 . 1 1 70 70 GLU CB C 13 27.3 0.20 . 1 . . . . . . . . 5712 1 312 . 1 1 70 70 GLU C C 13 180.0 0.20 . 1 . . . . . . . . 5712 1 313 . 1 1 71 71 ASP N N 15 118.8 0.15 . 1 . . . . . . . . 5712 1 314 . 1 1 71 71 ASP H H 1 8.17 0.05 . 1 . . . . . . . . 5712 1 315 . 1 1 71 71 ASP CA C 13 56.5 0.20 . 1 . . . . . . . . 5712 1 316 . 1 1 71 71 ASP CB C 13 41.0 0.20 . 1 . . . . . . . . 5712 1 317 . 1 1 71 71 ASP C C 13 178.4 0.20 . 1 . . . . . . . . 5712 1 318 . 1 1 72 72 PHE N N 15 123.4 0.15 . 1 . . . . . . . . 5712 1 319 . 1 1 72 72 PHE H H 1 7.49 0.05 . 1 . . . . . . . . 5712 1 320 . 1 1 72 72 PHE CA C 13 60.1 0.20 . 1 . . . . . . . . 5712 1 321 . 1 1 72 72 PHE CB C 13 35.4 0.20 . 1 . . . . . . . . 5712 1 322 . 1 1 72 72 PHE C C 13 175.7 0.20 . 1 . . . . . . . . 5712 1 323 . 1 1 73 73 TRP N N 15 119.3 0.15 . 1 . . . . . . . . 5712 1 324 . 1 1 73 73 TRP H H 1 7.22 0.05 . 1 . . . . . . . . 5712 1 325 . 1 1 73 73 TRP CA C 13 59.0 0.20 . 1 . . . . . . . . 5712 1 326 . 1 1 73 73 TRP CB C 13 28.7 0.20 . 1 . . . . . . . . 5712 1 327 . 1 1 73 73 TRP C C 13 177.7 0.20 . 1 . . . . . . . . 5712 1 328 . 1 1 74 74 ALA N N 15 120.2 0.15 . 1 . . . . . . . . 5712 1 329 . 1 1 74 74 ALA H H 1 7.74 0.05 . 1 . . . . . . . . 5712 1 330 . 1 1 74 74 ALA CA C 13 54.4 0.20 . 1 . . . . . . . . 5712 1 331 . 1 1 74 74 ALA CB C 13 17.5 0.20 . 1 . . . . . . . . 5712 1 332 . 1 1 74 74 ALA C C 13 179.8 0.20 . 1 . . . . . . . . 5712 1 333 . 1 1 75 75 LEU N N 15 119.2 0.15 . 1 . . . . . . . . 5712 1 334 . 1 1 75 75 LEU H H 1 6.84 0.05 . 1 . . . . . . . . 5712 1 335 . 1 1 75 75 LEU CA C 13 56.7 0.20 . 1 . . . . . . . . 5712 1 336 . 1 1 75 75 LEU CB C 13 40.4 0.20 . 1 . . . . . . . . 5712 1 337 . 1 1 75 75 LEU C C 13 177.4 0.20 . 1 . . . . . . . . 5712 1 338 . 1 1 76 76 TYR N N 15 119.5 0.15 . 1 . . . . . . . . 5712 1 339 . 1 1 76 76 TYR H H 1 8.25 0.05 . 1 . . . . . . . . 5712 1 340 . 1 1 76 76 TYR CA C 13 61.7 0.20 . 1 . . . . . . . . 5712 1 341 . 1 1 76 76 TYR CB C 13 38.1 0.20 . 1 . . . . . . . . 5712 1 342 . 1 1 76 76 TYR C C 13 177.1 0.20 . 1 . . . . . . . . 5712 1 343 . 1 1 77 77 ASN N N 15 111.7 0.15 . 1 . . . . . . . . 5712 1 344 . 1 1 77 77 ASN H H 1 8.47 0.05 . 1 . . . . . . . . 5712 1 345 . 1 1 77 77 ASN CA C 13 54.0 0.20 . 1 . . . . . . . . 5712 1 346 . 1 1 77 77 ASN CB C 13 37.5 0.20 . 1 . . . . . . . . 5712 1 347 . 1 1 77 77 ASN C C 13 176.1 0.20 . 1 . . . . . . . . 5712 1 348 . 1 1 78 78 HIS N N 15 116.9 0.15 . 1 . . . . . . . . 5712 1 349 . 1 1 78 78 HIS H H 1 7.51 0.05 . 1 . . . . . . . . 5712 1 350 . 1 1 78 78 HIS CA C 13 56.3 0.20 . 1 . . . . . . . . 5712 1 351 . 1 1 78 78 HIS CB C 13 29.8 0.20 . 1 . . . . . . . . 5712 1 352 . 1 1 78 78 HIS C C 13 174.3 0.20 . 1 . . . . . . . . 5712 1 353 . 1 1 79 79 ILE N N 15 114.4 0.15 . 1 . . . . . . . . 5712 1 354 . 1 1 79 79 ILE H H 1 6.83 0.05 . 1 . . . . . . . . 5712 1 355 . 1 1 79 79 ILE CA C 13 59.8 0.20 . 1 . . . . . . . . 5712 1 356 . 1 1 79 79 ILE CB C 13 39.1 0.20 . 1 . . . . . . . . 5712 1 357 . 1 1 79 79 ILE C C 13 176.1 0.20 . 1 . . . . . . . . 5712 1 358 . 1 1 80 80 GLN N N 15 121.4 0.15 . 1 . . . . . . . . 5712 1 359 . 1 1 80 80 GLN H H 1 8.04 0.05 . 1 . . . . . . . . 5712 1 360 . 1 1 80 80 GLN CA C 13 55.9 0.20 . 1 . . . . . . . . 5712 1 361 . 1 1 80 80 GLN CB C 13 28.8 0.20 . 1 . . . . . . . . 5712 1 362 . 1 1 80 80 GLN C C 13 178.2 0.20 . 1 . . . . . . . . 5712 1 363 . 1 1 81 81 LEU N N 15 128.3 0.15 . 1 . . . . . . . . 5712 1 364 . 1 1 81 81 LEU H H 1 8.66 0.05 . 1 . . . . . . . . 5712 1 365 . 1 1 81 81 LEU CA C 13 55.2 0.20 . 1 . . . . . . . . 5712 1 366 . 1 1 81 81 LEU CB C 13 41.0 0.20 . 1 . . . . . . . . 5712 1 367 . 1 1 81 81 LEU C C 13 178.3 0.20 . 1 . . . . . . . . 5712 1 368 . 1 1 82 82 SER N N 15 121.6 0.15 . 1 . . . . . . . . 5712 1 369 . 1 1 82 82 SER H H 1 9.51 0.05 . 1 . . . . . . . . 5712 1 370 . 1 1 82 82 SER CA C 13 62.8 0.20 . 1 . . . . . . . . 5712 1 371 . 1 1 82 82 SER C C 13 175.8 0.20 . 1 . . . . . . . . 5712 1 372 . 1 1 83 83 SER N N 15 113.7 0.15 . 1 . . . . . . . . 5712 1 373 . 1 1 83 83 SER H H 1 9.38 0.05 . 1 . . . . . . . . 5712 1 374 . 1 1 83 83 SER CA C 13 60.2 0.20 . 1 . . . . . . . . 5712 1 375 . 1 1 83 83 SER C C 13 175.5 0.20 . 1 . . . . . . . . 5712 1 376 . 1 1 84 84 ASN N N 15 120.1 0.15 . 1 . . . . . . . . 5712 1 377 . 1 1 84 84 ASN H H 1 7.80 0.05 . 1 . . . . . . . . 5712 1 378 . 1 1 84 84 ASN CA C 13 52.0 0.20 . 1 . . . . . . . . 5712 1 379 . 1 1 84 84 ASN CB C 13 39.6 0.20 . 1 . . . . . . . . 5712 1 380 . 1 1 84 84 ASN C C 13 175.4 0.20 . 1 . . . . . . . . 5712 1 381 . 1 1 85 85 LEU N N 15 122.7 0.15 . 1 . . . . . . . . 5712 1 382 . 1 1 85 85 LEU H H 1 7.46 0.05 . 1 . . . . . . . . 5712 1 383 . 1 1 85 85 LEU CA C 13 54.3 0.20 . 1 . . . . . . . . 5712 1 384 . 1 1 85 85 LEU CB C 13 41.1 0.20 . 1 . . . . . . . . 5712 1 385 . 1 1 85 85 LEU C C 13 176.6 0.20 . 1 . . . . . . . . 5712 1 386 . 1 1 86 86 MET N N 15 120.2 0.15 . 1 . . . . . . . . 5712 1 387 . 1 1 86 86 MET H H 1 8.04 0.05 . 1 . . . . . . . . 5712 1 388 . 1 1 86 86 MET CA C 13 53.1 0.20 . 1 . . . . . . . . 5712 1 389 . 1 1 86 86 MET CB C 13 31.2 0.20 . 1 . . . . . . . . 5712 1 390 . 1 1 87 87 PRO CA C 13 63.6 0.20 . 1 . . . . . . . . 5712 1 391 . 1 1 87 87 PRO CB C 13 30.7 0.20 . 1 . . . . . . . . 5712 1 392 . 1 1 87 87 PRO C C 13 177.5 0.20 . 1 . . . . . . . . 5712 1 393 . 1 1 88 88 GLY N N 15 112.5 0.15 . 1 . . . . . . . . 5712 1 394 . 1 1 88 88 GLY H H 1 8.90 0.05 . 1 . . . . . . . . 5712 1 395 . 1 1 88 88 GLY CA C 13 44.4 0.20 . 1 . . . . . . . . 5712 1 396 . 1 1 88 88 GLY C C 13 173.8 0.20 . 1 . . . . . . . . 5712 1 397 . 1 1 89 89 CYS N N 15 118.3 0.15 . 1 . . . . . . . . 5712 1 398 . 1 1 89 89 CYS H H 1 7.38 0.05 . 1 . . . . . . . . 5712 1 399 . 1 1 89 89 CYS CA C 13 58.5 0.20 . 1 . . . . . . . . 5712 1 400 . 1 1 89 89 CYS CB C 13 30.8 0.20 . 1 . . . . . . . . 5712 1 401 . 1 1 89 89 CYS C C 13 172.5 0.20 . 1 . . . . . . . . 5712 1 402 . 1 1 90 90 ASP N N 15 116.4 0.15 . 1 . . . . . . . . 5712 1 403 . 1 1 90 90 ASP H H 1 7.68 0.05 . 1 . . . . . . . . 5712 1 404 . 1 1 90 90 ASP CA C 13 51.9 0.20 . 1 . . . . . . . . 5712 1 405 . 1 1 90 90 ASP CB C 13 44.9 0.20 . 1 . . . . . . . . 5712 1 406 . 1 1 90 90 ASP C C 13 177.7 0.20 . 1 . . . . . . . . 5712 1 407 . 1 1 91 91 TYR N N 15 114.4 0.15 . 1 . . . . . . . . 5712 1 408 . 1 1 91 91 TYR H H 1 7.66 0.05 . 1 . . . . . . . . 5712 1 409 . 1 1 91 91 TYR CA C 13 56.5 0.20 . 1 . . . . . . . . 5712 1 410 . 1 1 91 91 TYR CB C 13 42.5 0.20 . 1 . . . . . . . . 5712 1 411 . 1 1 91 91 TYR C C 13 175.9 0.20 . 1 . . . . . . . . 5712 1 412 . 1 1 92 92 SER N N 15 111.8 0.15 . 1 . . . . . . . . 5712 1 413 . 1 1 92 92 SER H H 1 8.85 0.05 . 1 . . . . . . . . 5712 1 414 . 1 1 92 92 SER CA C 13 57.1 0.20 . 1 . . . . . . . . 5712 1 415 . 1 1 92 92 SER CB C 13 65.5 0.20 . 1 . . . . . . . . 5712 1 416 . 1 1 92 92 SER C C 13 173.0 0.20 . 1 . . . . . . . . 5712 1 417 . 1 1 93 93 LEU N N 15 127.0 0.15 . 1 . . . . . . . . 5712 1 418 . 1 1 93 93 LEU H H 1 9.58 0.05 . 1 . . . . . . . . 5712 1 419 . 1 1 93 93 LEU CA C 13 53.9 0.20 . 1 . . . . . . . . 5712 1 420 . 1 1 93 93 LEU CB C 13 43.4 0.20 . 1 . . . . . . . . 5712 1 421 . 1 1 93 93 LEU C C 13 174.9 0.20 . 1 . . . . . . . . 5712 1 422 . 1 1 94 94 PHE N N 15 127.8 0.15 . 1 . . . . . . . . 5712 1 423 . 1 1 94 94 PHE H H 1 9.55 0.05 . 1 . . . . . . . . 5712 1 424 . 1 1 94 94 PHE CA C 13 55.7 0.20 . 1 . . . . . . . . 5712 1 425 . 1 1 94 94 PHE CB C 13 45.3 0.20 . 1 . . . . . . . . 5712 1 426 . 1 1 94 94 PHE C C 13 176.1 0.20 . 1 . . . . . . . . 5712 1 427 . 1 1 95 95 LYS N N 15 123.9 0.15 . 1 . . . . . . . . 5712 1 428 . 1 1 95 95 LYS H H 1 7.81 0.05 . 1 . . . . . . . . 5712 1 429 . 1 1 95 95 LYS CA C 13 57.1 0.20 . 1 . . . . . . . . 5712 1 430 . 1 1 95 95 LYS CB C 13 32.1 0.20 . 1 . . . . . . . . 5712 1 431 . 1 1 95 95 LYS C C 13 176.5 0.20 . 1 . . . . . . . . 5712 1 432 . 1 1 96 96 ASP N N 15 121.0 0.15 . 1 . . . . . . . . 5712 1 433 . 1 1 96 96 ASP H H 1 8.17 0.05 . 1 . . . . . . . . 5712 1 434 . 1 1 96 96 ASP CA C 13 55.2 0.20 . 1 . . . . . . . . 5712 1 435 . 1 1 96 96 ASP CB C 13 40.6 0.20 . 1 . . . . . . . . 5712 1 436 . 1 1 96 96 ASP C C 13 176.8 0.20 . 1 . . . . . . . . 5712 1 437 . 1 1 97 97 GLY N N 15 115.6 0.15 . 1 . . . . . . . . 5712 1 438 . 1 1 97 97 GLY H H 1 8.79 0.05 . 1 . . . . . . . . 5712 1 439 . 1 1 97 97 GLY CA C 13 44.4 0.20 . 1 . . . . . . . . 5712 1 440 . 1 1 97 97 GLY C C 13 173.8 0.20 . 1 . . . . . . . . 5712 1 441 . 1 1 98 98 ILE N N 15 121.7 0.15 . 1 . . . . . . . . 5712 1 442 . 1 1 98 98 ILE H H 1 8.10 0.05 . 1 . . . . . . . . 5712 1 443 . 1 1 98 98 ILE CA C 13 60.4 0.20 . 1 . . . . . . . . 5712 1 444 . 1 1 98 98 ILE CB C 13 38.2 0.20 . 1 . . . . . . . . 5712 1 445 . 1 1 98 98 ILE C C 13 175.9 0.20 . 1 . . . . . . . . 5712 1 446 . 1 1 99 99 GLU N N 15 130.2 0.15 . 1 . . . . . . . . 5712 1 447 . 1 1 99 99 GLU H H 1 8.93 0.05 . 1 . . . . . . . . 5712 1 448 . 1 1 99 99 GLU CA C 13 54.0 0.20 . 1 . . . . . . . . 5712 1 449 . 1 1 99 99 GLU CB C 13 28.3 0.20 . 1 . . . . . . . . 5712 1 450 . 1 1 100 100 PRO CA C 13 60.3 0.20 . 1 . . . . . . . . 5712 1 451 . 1 1 100 100 PRO CB C 13 27.8 0.20 . 1 . . . . . . . . 5712 1 452 . 1 1 100 100 PRO C C 13 172.5 0.20 . 1 . . . . . . . . 5712 1 453 . 1 1 101 101 MET N N 15 115.1 0.15 . 1 . . . . . . . . 5712 1 454 . 1 1 101 101 MET H H 1 8.07 0.05 . 1 . . . . . . . . 5712 1 455 . 1 1 101 101 MET CA C 13 52.7 0.20 . 1 . . . . . . . . 5712 1 456 . 1 1 101 101 MET CB C 13 35.9 0.20 . 1 . . . . . . . . 5712 1 457 . 1 1 101 101 MET C C 13 176.8 0.20 . 1 . . . . . . . . 5712 1 458 . 1 1 102 102 TRP N N 15 128.0 0.15 . 1 . . . . . . . . 5712 1 459 . 1 1 102 102 TRP H H 1 9.38 0.05 . 1 . . . . . . . . 5712 1 460 . 1 1 102 102 TRP CA C 13 58.0 0.20 . 1 . . . . . . . . 5712 1 461 . 1 1 103 103 GLU CA C 13 58.8 0.20 . 1 . . . . . . . . 5712 1 462 . 1 1 103 103 GLU CB C 13 28.3 0.20 . 1 . . . . . . . . 5712 1 463 . 1 1 103 103 GLU C C 13 177.7 0.20 . 1 . . . . . . . . 5712 1 464 . 1 1 104 104 ASP N N 15 121.3 0.15 . 1 . . . . . . . . 5712 1 465 . 1 1 104 104 ASP H H 1 7.16 0.05 . 1 . . . . . . . . 5712 1 466 . 1 1 104 104 ASP CA C 13 54.5 0.20 . 1 . . . . . . . . 5712 1 467 . 1 1 104 104 ASP CB C 13 45.3 0.20 . 1 . . . . . . . . 5712 1 468 . 1 1 104 104 ASP C C 13 178.0 0.20 . 1 . . . . . . . . 5712 1 469 . 1 1 105 105 GLU N N 15 129.9 0.15 . 1 . . . . . . . . 5712 1 470 . 1 1 105 105 GLU H H 1 9.20 0.05 . 1 . . . . . . . . 5712 1 471 . 1 1 105 105 GLU CA C 13 59.5 0.20 . 1 . . . . . . . . 5712 1 472 . 1 1 105 105 GLU CB C 13 29.3 0.20 . 1 . . . . . . . . 5712 1 473 . 1 1 105 105 GLU C C 13 178.3 0.20 . 1 . . . . . . . . 5712 1 474 . 1 1 106 106 LYS N N 15 116.1 0.15 . 1 . . . . . . . . 5712 1 475 . 1 1 106 106 LYS H H 1 9.75 0.05 . 1 . . . . . . . . 5712 1 476 . 1 1 106 106 LYS CA C 13 56.4 0.20 . 1 . . . . . . . . 5712 1 477 . 1 1 106 106 LYS CB C 13 30.7 0.20 . 1 . . . . . . . . 5712 1 478 . 1 1 106 106 LYS C C 13 177.0 0.20 . 1 . . . . . . . . 5712 1 479 . 1 1 107 107 ASN N N 15 114.7 0.15 . 1 . . . . . . . . 5712 1 480 . 1 1 107 107 ASN H H 1 8.18 0.05 . 1 . . . . . . . . 5712 1 481 . 1 1 107 107 ASN CA C 13 53.1 0.20 . 1 . . . . . . . . 5712 1 482 . 1 1 107 107 ASN CB C 13 40.1 0.20 . 1 . . . . . . . . 5712 1 483 . 1 1 107 107 ASN C C 13 177.8 0.20 . 1 . . . . . . . . 5712 1 484 . 1 1 108 108 LYS N N 15 123.4 0.15 . 1 . . . . . . . . 5712 1 485 . 1 1 108 108 LYS H H 1 7.98 0.05 . 1 . . . . . . . . 5712 1 486 . 1 1 108 108 LYS CA C 13 60.5 0.20 . 1 . . . . . . . . 5712 1 487 . 1 1 108 108 LYS CB C 13 31.9 0.20 . 1 . . . . . . . . 5712 1 488 . 1 1 108 108 LYS C C 13 179.0 0.20 . 1 . . . . . . . . 5712 1 489 . 1 1 109 109 ARG N N 15 121.2 0.15 . 1 . . . . . . . . 5712 1 490 . 1 1 109 109 ARG H H 1 9.17 0.05 . 1 . . . . . . . . 5712 1 491 . 1 1 109 109 ARG CA C 13 55.4 0.20 . 1 . . . . . . . . 5712 1 492 . 1 1 109 109 ARG CB C 13 28.3 0.20 . 1 . . . . . . . . 5712 1 493 . 1 1 109 109 ARG C C 13 176.7 0.20 . 1 . . . . . . . . 5712 1 494 . 1 1 110 110 GLY N N 15 110.5 0.15 . 1 . . . . . . . . 5712 1 495 . 1 1 110 110 GLY H H 1 8.20 0.05 . 1 . . . . . . . . 5712 1 496 . 1 1 110 110 GLY CA C 13 44.3 0.20 . 1 . . . . . . . . 5712 1 497 . 1 1 110 110 GLY C C 13 173.6 0.20 . 1 . . . . . . . . 5712 1 498 . 1 1 111 111 GLY N N 15 113.0 0.15 . 1 . . . . . . . . 5712 1 499 . 1 1 111 111 GLY H H 1 7.34 0.05 . 1 . . . . . . . . 5712 1 500 . 1 1 111 111 GLY CA C 13 44.8 0.20 . 1 . . . . . . . . 5712 1 501 . 1 1 111 111 GLY C C 13 177.1 0.20 . 1 . . . . . . . . 5712 1 502 . 1 1 112 112 ARG N N 15 114.2 0.15 . 1 . . . . . . . . 5712 1 503 . 1 1 112 112 ARG H H 1 7.58 0.05 . 1 . . . . . . . . 5712 1 504 . 1 1 112 112 ARG CA C 13 51.4 0.20 . 1 . . . . . . . . 5712 1 505 . 1 1 112 112 ARG CB C 13 32.8 0.20 . 1 . . . . . . . . 5712 1 506 . 1 1 112 112 ARG C C 13 174.1 0.20 . 1 . . . . . . . . 5712 1 507 . 1 1 113 113 TRP N N 15 123.1 0.15 . 1 . . . . . . . . 5712 1 508 . 1 1 113 113 TRP H H 1 8.78 0.05 . 1 . . . . . . . . 5712 1 509 . 1 1 113 113 TRP CA C 13 56.6 0.20 . 1 . . . . . . . . 5712 1 510 . 1 1 113 113 TRP CB C 13 31.0 0.20 . 1 . . . . . . . . 5712 1 511 . 1 1 113 113 TRP C C 13 175.2 0.20 . 1 . . . . . . . . 5712 1 512 . 1 1 114 114 LEU N N 15 125.3 0.15 . 1 . . . . . . . . 5712 1 513 . 1 1 114 114 LEU H H 1 8.69 0.05 . 1 . . . . . . . . 5712 1 514 . 1 1 114 114 LEU CA C 13 54.1 0.20 . 1 . . . . . . . . 5712 1 515 . 1 1 114 114 LEU CB C 13 45.7 0.20 . 1 . . . . . . . . 5712 1 516 . 1 1 114 114 LEU C C 13 174.7 0.20 . 1 . . . . . . . . 5712 1 517 . 1 1 115 115 ILE N N 15 128.2 0.15 . 1 . . . . . . . . 5712 1 518 . 1 1 115 115 ILE H H 1 9.72 0.05 . 1 . . . . . . . . 5712 1 519 . 1 1 115 115 ILE CA C 13 58.9 0.20 . 1 . . . . . . . . 5712 1 520 . 1 1 115 115 ILE CB C 13 38.2 0.20 . 1 . . . . . . . . 5712 1 521 . 1 1 115 115 ILE C C 13 174.8 0.20 . 1 . . . . . . . . 5712 1 522 . 1 1 116 116 THR N N 15 119.0 0.15 . 1 . . . . . . . . 5712 1 523 . 1 1 116 116 THR H H 1 8.12 0.05 . 1 . . . . . . . . 5712 1 524 . 1 1 116 116 THR CA C 13 60.3 0.20 . 1 . . . . . . . . 5712 1 525 . 1 1 116 116 THR CB C 13 69.1 0.20 . 1 . . . . . . . . 5712 1 526 . 1 1 116 116 THR C C 13 174.2 0.20 . 1 . . . . . . . . 5712 1 527 . 1 1 117 117 LEU N N 15 127.0 0.15 . 1 . . . . . . . . 5712 1 528 . 1 1 117 117 LEU H H 1 8.83 0.05 . 1 . . . . . . . . 5712 1 529 . 1 1 117 117 LEU CA C 13 53.8 0.20 . 1 . . . . . . . . 5712 1 530 . 1 1 117 117 LEU CB C 13 42.5 0.20 . 1 . . . . . . . . 5712 1 531 . 1 1 117 117 LEU C C 13 176.5 0.20 . 1 . . . . . . . . 5712 1 532 . 1 1 118 118 ASN N N 15 119.3 0.15 . 1 . . . . . . . . 5712 1 533 . 1 1 118 118 ASN H H 1 8.64 0.05 . 1 . . . . . . . . 5712 1 534 . 1 1 118 118 ASN CA C 13 51.7 0.20 . 1 . . . . . . . . 5712 1 535 . 1 1 118 118 ASN CB C 13 38.7 0.20 . 1 . . . . . . . . 5712 1 536 . 1 1 118 118 ASN C C 13 178.1 0.20 . 1 . . . . . . . . 5712 1 537 . 1 1 119 119 LYS N N 15 123.4 0.15 . 1 . . . . . . . . 5712 1 538 . 1 1 119 119 LYS H H 1 8.77 0.05 . 1 . . . . . . . . 5712 1 539 . 1 1 119 119 LYS CA C 13 59.3 0.20 . 1 . . . . . . . . 5712 1 540 . 1 1 119 119 LYS CB C 13 31.2 0.20 . 1 . . . . . . . . 5712 1 541 . 1 1 119 119 LYS C C 13 179.1 0.20 . 1 . . . . . . . . 5712 1 542 . 1 1 120 120 GLN N N 15 119.1 0.15 . 1 . . . . . . . . 5712 1 543 . 1 1 120 120 GLN H H 1 8.55 0.05 . 1 . . . . . . . . 5712 1 544 . 1 1 120 120 GLN CA C 13 57.9 0.20 . 1 . . . . . . . . 5712 1 545 . 1 1 120 120 GLN CB C 13 27.1 0.20 . 1 . . . . . . . . 5712 1 546 . 1 1 120 120 GLN C C 13 177.7 0.20 . 1 . . . . . . . . 5712 1 547 . 1 1 121 121 GLN N N 15 117.6 0.15 . 1 . . . . . . . . 5712 1 548 . 1 1 121 121 GLN H H 1 7.87 0.05 . 1 . . . . . . . . 5712 1 549 . 1 1 121 121 GLN CA C 13 56.0 0.20 . 1 . . . . . . . . 5712 1 550 . 1 1 121 121 GLN CB C 13 30.2 0.20 . 1 . . . . . . . . 5712 1 551 . 1 1 121 121 GLN C C 13 177.1 0.20 . 1 . . . . . . . . 5712 1 552 . 1 1 122 122 ARG N N 15 123.2 0.15 . 1 . . . . . . . . 5712 1 553 . 1 1 122 122 ARG H H 1 7.51 0.05 . 1 . . . . . . . . 5712 1 554 . 1 1 122 122 ARG CA C 13 59.2 0.20 . 1 . . . . . . . . 5712 1 555 . 1 1 122 122 ARG CB C 13 29.3 0.20 . 1 . . . . . . . . 5712 1 556 . 1 1 123 123 ARG CA C 13 57.4 0.20 . 1 . . . . . . . . 5712 1 557 . 1 1 123 123 ARG CB C 13 28.8 0.20 . 1 . . . . . . . . 5712 1 558 . 1 1 123 123 ARG C C 13 176.9 0.20 . 1 . . . . . . . . 5712 1 559 . 1 1 124 124 SER N N 15 111.4 0.15 . 1 . . . . . . . . 5712 1 560 . 1 1 124 124 SER H H 1 7.53 0.05 . 1 . . . . . . . . 5712 1 561 . 1 1 124 124 SER CA C 13 59.3 0.20 . 1 . . . . . . . . 5712 1 562 . 1 1 124 124 SER CB C 13 63.6 0.20 . 1 . . . . . . . . 5712 1 563 . 1 1 124 124 SER C C 13 176.4 0.20 . 1 . . . . . . . . 5712 1 564 . 1 1 125 125 ASP N N 15 121.2 0.15 . 1 . . . . . . . . 5712 1 565 . 1 1 125 125 ASP H H 1 8.00 0.05 . 1 . . . . . . . . 5712 1 566 . 1 1 125 125 ASP CA C 13 55.7 0.20 . 1 . . . . . . . . 5712 1 567 . 1 1 125 125 ASP CB C 13 42.9 0.20 . 1 . . . . . . . . 5712 1 568 . 1 1 125 125 ASP C C 13 175.6 0.20 . 1 . . . . . . . . 5712 1 569 . 1 1 126 126 LEU N N 15 120.5 0.15 . 1 . . . . . . . . 5712 1 570 . 1 1 126 126 LEU H H 1 7.36 0.05 . 1 . . . . . . . . 5712 1 571 . 1 1 126 126 LEU CA C 13 59.9 0.20 . 1 . . . . . . . . 5712 1 572 . 1 1 126 126 LEU CB C 13 41.7 0.20 . 1 . . . . . . . . 5712 1 573 . 1 1 126 126 LEU C C 13 177.2 0.20 . 1 . . . . . . . . 5712 1 574 . 1 1 127 127 ASP N N 15 116.4 0.15 . 1 . . . . . . . . 5712 1 575 . 1 1 127 127 ASP H H 1 8.70 0.05 . 1 . . . . . . . . 5712 1 576 . 1 1 127 127 ASP CA C 13 57.5 0.20 . 1 . . . . . . . . 5712 1 577 . 1 1 127 127 ASP CB C 13 39.8 0.20 . 1 . . . . . . . . 5712 1 578 . 1 1 127 127 ASP C C 13 179.5 0.20 . 1 . . . . . . . . 5712 1 579 . 1 1 128 128 ARG N N 15 122.3 0.15 . 1 . . . . . . . . 5712 1 580 . 1 1 128 128 ARG H H 1 8.23 0.05 . 1 . . . . . . . . 5712 1 581 . 1 1 128 128 ARG CA C 13 58.9 0.20 . 1 . . . . . . . . 5712 1 582 . 1 1 128 128 ARG CB C 13 28.6 0.20 . 1 . . . . . . . . 5712 1 583 . 1 1 128 128 ARG C C 13 179.2 0.20 . 1 . . . . . . . . 5712 1 584 . 1 1 129 129 PHE N N 15 120.2 0.15 . 1 . . . . . . . . 5712 1 585 . 1 1 129 129 PHE H H 1 8.79 0.05 . 1 . . . . . . . . 5712 1 586 . 1 1 129 129 PHE CA C 13 57.1 0.20 . 1 . . . . . . . . 5712 1 587 . 1 1 129 129 PHE CB C 13 37.2 0.20 . 1 . . . . . . . . 5712 1 588 . 1 1 129 129 PHE C C 13 180.3 0.20 . 1 . . . . . . . . 5712 1 589 . 1 1 130 130 TRP N N 15 126.5 0.15 . 1 . . . . . . . . 5712 1 590 . 1 1 130 130 TRP H H 1 9.35 0.05 . 1 . . . . . . . . 5712 1 591 . 1 1 130 130 TRP CA C 13 59.4 0.20 . 1 . . . . . . . . 5712 1 592 . 1 1 130 130 TRP CB C 13 30.0 0.20 . 1 . . . . . . . . 5712 1 593 . 1 1 130 130 TRP C C 13 176.8 0.20 . 1 . . . . . . . . 5712 1 594 . 1 1 131 131 LEU N N 15 120.3 0.15 . 1 . . . . . . . . 5712 1 595 . 1 1 131 131 LEU H H 1 8.59 0.05 . 1 . . . . . . . . 5712 1 596 . 1 1 131 131 LEU CA C 13 58.0 0.20 . 1 . . . . . . . . 5712 1 597 . 1 1 131 131 LEU CB C 13 39.2 0.20 . 1 . . . . . . . . 5712 1 598 . 1 1 131 131 LEU C C 13 178.5 0.20 . 1 . . . . . . . . 5712 1 599 . 1 1 132 132 GLU N N 15 116.8 0.15 . 1 . . . . . . . . 5712 1 600 . 1 1 132 132 GLU H H 1 8.27 0.05 . 1 . . . . . . . . 5712 1 601 . 1 1 132 132 GLU CA C 13 58.5 0.20 . 1 . . . . . . . . 5712 1 602 . 1 1 132 132 GLU CB C 13 28.4 0.20 . 1 . . . . . . . . 5712 1 603 . 1 1 132 132 GLU C C 13 179.9 0.20 . 1 . . . . . . . . 5712 1 604 . 1 1 133 133 THR N N 15 117.1 0.15 . 1 . . . . . . . . 5712 1 605 . 1 1 133 133 THR H H 1 7.82 0.05 . 1 . . . . . . . . 5712 1 606 . 1 1 133 133 THR CA C 13 68.0 0.20 . 1 . . . . . . . . 5712 1 607 . 1 1 133 133 THR C C 13 174.9 0.20 . 1 . . . . . . . . 5712 1 608 . 1 1 134 134 LEU N N 15 121.0 0.15 . 1 . . . . . . . . 5712 1 609 . 1 1 134 134 LEU H H 1 7.80 0.05 . 1 . . . . . . . . 5712 1 610 . 1 1 134 134 LEU CA C 13 57.6 0.20 . 1 . . . . . . . . 5712 1 611 . 1 1 134 134 LEU CB C 13 39.3 0.20 . 1 . . . . . . . . 5712 1 612 . 1 1 134 134 LEU C C 13 175.1 0.20 . 1 . . . . . . . . 5712 1 613 . 1 1 135 135 LEU N N 15 115.9 0.15 . 1 . . . . . . . . 5712 1 614 . 1 1 135 135 LEU H H 1 8.04 0.05 . 1 . . . . . . . . 5712 1 615 . 1 1 135 135 LEU CA C 13 57.1 0.20 . 1 . . . . . . . . 5712 1 616 . 1 1 135 135 LEU CB C 13 39.1 0.20 . 1 . . . . . . . . 5712 1 617 . 1 1 135 135 LEU C C 13 181.3 0.20 . 1 . . . . . . . . 5712 1 618 . 1 1 136 136 CYS N N 15 120.2 0.15 . 1 . . . . . . . . 5712 1 619 . 1 1 136 136 CYS H H 1 7.68 0.05 . 1 . . . . . . . . 5712 1 620 . 1 1 136 136 CYS CA C 13 61.8 0.20 . 1 . . . . . . . . 5712 1 621 . 1 1 136 136 CYS CB C 13 26.6 0.20 . 1 . . . . . . . . 5712 1 622 . 1 1 136 136 CYS C C 13 176.4 0.20 . 1 . . . . . . . . 5712 1 623 . 1 1 137 137 LEU N N 15 120.7 0.15 . 1 . . . . . . . . 5712 1 624 . 1 1 137 137 LEU H H 1 7.02 0.05 . 1 . . . . . . . . 5712 1 625 . 1 1 137 137 LEU CA C 13 57.5 0.20 . 1 . . . . . . . . 5712 1 626 . 1 1 137 137 LEU CB C 13 38.8 0.20 . 1 . . . . . . . . 5712 1 627 . 1 1 137 137 LEU C C 13 179.2 0.20 . 1 . . . . . . . . 5712 1 628 . 1 1 138 138 ILE N N 15 111.2 0.15 . 1 . . . . . . . . 5712 1 629 . 1 1 138 138 ILE H H 1 7.68 0.05 . 1 . . . . . . . . 5712 1 630 . 1 1 138 138 ILE CA C 13 63.6 0.20 . 1 . . . . . . . . 5712 1 631 . 1 1 138 138 ILE CB C 13 35.8 0.20 . 1 . . . . . . . . 5712 1 632 . 1 1 138 138 ILE C C 13 178.3 0.20 . 1 . . . . . . . . 5712 1 633 . 1 1 139 139 GLY N N 15 107.9 0.15 . 1 . . . . . . . . 5712 1 634 . 1 1 139 139 GLY H H 1 7.55 0.05 . 1 . . . . . . . . 5712 1 635 . 1 1 139 139 GLY CA C 13 44.7 0.20 . 1 . . . . . . . . 5712 1 636 . 1 1 139 139 GLY C C 13 172.4 0.20 . 1 . . . . . . . . 5712 1 637 . 1 1 140 140 GLU N N 15 115.4 0.15 . 1 . . . . . . . . 5712 1 638 . 1 1 140 140 GLU H H 1 7.62 0.05 . 1 . . . . . . . . 5712 1 639 . 1 1 140 140 GLU CA C 13 55.7 0.20 . 1 . . . . . . . . 5712 1 640 . 1 1 140 140 GLU CB C 13 24.6 0.20 . 1 . . . . . . . . 5712 1 641 . 1 1 140 140 GLU C C 13 178.0 0.20 . 1 . . . . . . . . 5712 1 642 . 1 1 141 141 SER N N 15 112.7 0.15 . 1 . . . . . . . . 5712 1 643 . 1 1 141 141 SER H H 1 7.61 0.05 . 1 . . . . . . . . 5712 1 644 . 1 1 141 141 SER CA C 13 59.8 0.20 . 1 . . . . . . . . 5712 1 645 . 1 1 141 141 SER CB C 13 61.9 0.20 . 1 . . . . . . . . 5712 1 646 . 1 1 141 141 SER C C 13 173.4 0.20 . 1 . . . . . . . . 5712 1 647 . 1 1 142 142 PHE N N 15 117.8 0.15 . 1 . . . . . . . . 5712 1 648 . 1 1 142 142 PHE H H 1 7.76 0.05 . 1 . . . . . . . . 5712 1 649 . 1 1 142 142 PHE CA C 13 56.2 0.20 . 1 . . . . . . . . 5712 1 650 . 1 1 142 142 PHE CB C 13 36.8 0.20 . 1 . . . . . . . . 5712 1 651 . 1 1 142 142 PHE C C 13 174.5 0.20 . 1 . . . . . . . . 5712 1 652 . 1 1 143 143 ASP N N 15 117.3 0.15 . 1 . . . . . . . . 5712 1 653 . 1 1 143 143 ASP H H 1 7.66 0.05 . 1 . . . . . . . . 5712 1 654 . 1 1 143 143 ASP CA C 13 55.7 0.20 . 1 . . . . . . . . 5712 1 655 . 1 1 143 143 ASP CB C 13 39.1 0.20 . 1 . . . . . . . . 5712 1 656 . 1 1 143 143 ASP C C 13 177.8 0.20 . 1 . . . . . . . . 5712 1 657 . 1 1 144 144 ASP N N 15 124.6 0.15 . 1 . . . . . . . . 5712 1 658 . 1 1 144 144 ASP H H 1 8.52 0.05 . 1 . . . . . . . . 5712 1 659 . 1 1 144 144 ASP CA C 13 56.3 0.20 . 1 . . . . . . . . 5712 1 660 . 1 1 144 144 ASP CB C 13 38.7 0.20 . 1 . . . . . . . . 5712 1 661 . 1 1 144 144 ASP C C 13 176.5 0.20 . 1 . . . . . . . . 5712 1 662 . 1 1 145 145 TYR N N 15 117.6 0.15 . 1 . . . . . . . . 5712 1 663 . 1 1 145 145 TYR H H 1 7.58 0.05 . 1 . . . . . . . . 5712 1 664 . 1 1 145 145 TYR CA C 13 57.1 0.20 . 1 . . . . . . . . 5712 1 665 . 1 1 145 145 TYR CB C 13 36.7 0.20 . 1 . . . . . . . . 5712 1 666 . 1 1 145 145 TYR C C 13 176.5 0.20 . 1 . . . . . . . . 5712 1 667 . 1 1 146 146 SER N N 15 117.6 0.15 . 1 . . . . . . . . 5712 1 668 . 1 1 146 146 SER H H 1 7.48 0.05 . 1 . . . . . . . . 5712 1 669 . 1 1 146 146 SER CA C 13 63.2 0.20 . 1 . . . . . . . . 5712 1 670 . 1 1 147 147 ASP CA C 13 56.7 0.20 . 1 . . . . . . . . 5712 1 671 . 1 1 147 147 ASP CB C 13 39.2 0.20 . 1 . . . . . . . . 5712 1 672 . 1 1 147 147 ASP C C 13 176.6 0.20 . 1 . . . . . . . . 5712 1 673 . 1 1 148 148 ASP N N 15 120.0 0.15 . 1 . . . . . . . . 5712 1 674 . 1 1 148 148 ASP H H 1 7.66 0.05 . 1 . . . . . . . . 5712 1 675 . 1 1 148 148 ASP CA C 13 55.1 0.20 . 1 . . . . . . . . 5712 1 676 . 1 1 148 148 ASP CB C 13 41.6 0.20 . 1 . . . . . . . . 5712 1 677 . 1 1 148 148 ASP C C 13 176.8 0.20 . 1 . . . . . . . . 5712 1 678 . 1 1 149 149 VAL N N 15 120.3 0.15 . 1 . . . . . . . . 5712 1 679 . 1 1 149 149 VAL H H 1 7.41 0.05 . 1 . . . . . . . . 5712 1 680 . 1 1 149 149 VAL CA C 13 64.0 0.20 . 1 . . . . . . . . 5712 1 681 . 1 1 149 149 VAL CB C 13 31.4 0.20 . 1 . . . . . . . . 5712 1 682 . 1 1 149 149 VAL C C 13 175.9 0.20 . 1 . . . . . . . . 5712 1 683 . 1 1 150 150 CYS N N 15 125.2 0.15 . 1 . . . . . . . . 5712 1 684 . 1 1 150 150 CYS H H 1 9.21 0.05 . 1 . . . . . . . . 5712 1 685 . 1 1 150 150 CYS CA C 13 58.5 0.20 . 1 . . . . . . . . 5712 1 686 . 1 1 150 150 CYS CB C 13 29.2 0.20 . 1 . . . . . . . . 5712 1 687 . 1 1 150 150 CYS C C 13 172.9 0.20 . 1 . . . . . . . . 5712 1 688 . 1 1 151 151 GLY N N 15 104.2 0.15 . 1 . . . . . . . . 5712 1 689 . 1 1 151 151 GLY H H 1 7.18 0.05 . 1 . . . . . . . . 5712 1 690 . 1 1 151 151 GLY CA C 13 45.7 0.20 . 1 . . . . . . . . 5712 1 691 . 1 1 151 151 GLY C C 13 169.6 0.20 . 1 . . . . . . . . 5712 1 692 . 1 1 152 152 ALA N N 15 122.0 0.15 . 1 . . . . . . . . 5712 1 693 . 1 1 152 152 ALA H H 1 8.45 0.05 . 1 . . . . . . . . 5712 1 694 . 1 1 152 152 ALA CA C 13 50.4 0.20 . 1 . . . . . . . . 5712 1 695 . 1 1 152 152 ALA CB C 13 24.9 0.20 . 1 . . . . . . . . 5712 1 696 . 1 1 152 152 ALA C C 13 175.5 0.20 . 1 . . . . . . . . 5712 1 697 . 1 1 153 153 VAL N N 15 120.5 0.15 . 1 . . . . . . . . 5712 1 698 . 1 1 153 153 VAL H H 1 8.85 0.05 . 1 . . . . . . . . 5712 1 699 . 1 1 153 153 VAL CA C 13 61.0 0.20 . 1 . . . . . . . . 5712 1 700 . 1 1 153 153 VAL CB C 13 36.6 0.20 . 1 . . . . . . . . 5712 1 701 . 1 1 153 153 VAL C C 13 175.4 0.20 . 1 . . . . . . . . 5712 1 702 . 1 1 154 154 VAL N N 15 129.2 0.15 . 1 . . . . . . . . 5712 1 703 . 1 1 154 154 VAL H H 1 9.01 0.05 . 1 . . . . . . . . 5712 1 704 . 1 1 154 154 VAL CA C 13 57.1 0.20 . 1 . . . . . . . . 5712 1 705 . 1 1 154 154 VAL CB C 13 33.0 0.20 . 1 . . . . . . . . 5712 1 706 . 1 1 154 154 VAL C C 13 172.5 0.20 . 1 . . . . . . . . 5712 1 707 . 1 1 155 155 ASN N N 15 123.2 0.15 . 1 . . . . . . . . 5712 1 708 . 1 1 155 155 ASN H H 1 9.33 0.05 . 1 . . . . . . . . 5712 1 709 . 1 1 155 155 ASN CA C 13 51.3 0.20 . 1 . . . . . . . . 5712 1 710 . 1 1 155 155 ASN CB C 13 41.8 0.20 . 1 . . . . . . . . 5712 1 711 . 1 1 155 155 ASN C C 13 173.7 0.20 . 1 . . . . . . . . 5712 1 712 . 1 1 156 156 VAL N N 15 126.1 0.15 . 1 . . . . . . . . 5712 1 713 . 1 1 156 156 VAL H H 1 8.13 0.05 . 1 . . . . . . . . 5712 1 714 . 1 1 156 156 VAL CA C 13 61.8 0.20 . 1 . . . . . . . . 5712 1 715 . 1 1 156 156 VAL CB C 13 29.9 0.20 . 1 . . . . . . . . 5712 1 716 . 1 1 156 156 VAL C C 13 178.5 0.20 . 1 . . . . . . . . 5712 1 717 . 1 1 157 157 ARG N N 15 131.9 0.15 . 1 . . . . . . . . 5712 1 718 . 1 1 157 157 ARG H H 1 9.44 0.05 . 1 . . . . . . . . 5712 1 719 . 1 1 157 157 ARG CA C 13 52.3 0.20 . 1 . . . . . . . . 5712 1 720 . 1 1 157 157 ARG CB C 13 32.4 0.20 . 1 . . . . . . . . 5712 1 721 . 1 1 157 157 ARG C C 13 175.8 0.20 . 1 . . . . . . . . 5712 1 722 . 1 1 158 158 ALA N N 15 126.3 0.15 . 1 . . . . . . . . 5712 1 723 . 1 1 158 158 ALA H H 1 8.74 0.05 . 1 . . . . . . . . 5712 1 724 . 1 1 158 158 ALA CA C 13 54.3 0.20 . 1 . . . . . . . . 5712 1 725 . 1 1 158 158 ALA CB C 13 17.7 0.20 . 1 . . . . . . . . 5712 1 726 . 1 1 158 158 ALA C C 13 179.5 0.20 . 1 . . . . . . . . 5712 1 727 . 1 1 159 159 LYS N N 15 113.2 0.15 . 1 . . . . . . . . 5712 1 728 . 1 1 159 159 LYS H H 1 7.82 0.05 . 1 . . . . . . . . 5712 1 729 . 1 1 159 159 LYS CA C 13 56.4 0.20 . 1 . . . . . . . . 5712 1 730 . 1 1 159 159 LYS CB C 13 31.6 0.20 . 1 . . . . . . . . 5712 1 731 . 1 1 159 159 LYS C C 13 176.1 0.20 . 1 . . . . . . . . 5712 1 732 . 1 1 160 160 GLY N N 15 110.4 0.15 . 1 . . . . . . . . 5712 1 733 . 1 1 160 160 GLY H H 1 6.87 0.05 . 1 . . . . . . . . 5712 1 734 . 1 1 160 160 GLY CA C 13 44.8 0.20 . 1 . . . . . . . . 5712 1 735 . 1 1 160 160 GLY C C 13 171.9 0.20 . 1 . . . . . . . . 5712 1 736 . 1 1 161 161 ASP N N 15 126.3 0.15 . 1 . . . . . . . . 5712 1 737 . 1 1 161 161 ASP H H 1 8.02 0.05 . 1 . . . . . . . . 5712 1 738 . 1 1 161 161 ASP CA C 13 54.6 0.20 . 1 . . . . . . . . 5712 1 739 . 1 1 161 161 ASP CB C 13 43.0 0.20 . 1 . . . . . . . . 5712 1 740 . 1 1 161 161 ASP C C 13 175.0 0.20 . 1 . . . . . . . . 5712 1 741 . 1 1 162 162 LYS N N 15 119.0 0.15 . 1 . . . . . . . . 5712 1 742 . 1 1 162 162 LYS H H 1 8.58 0.05 . 1 . . . . . . . . 5712 1 743 . 1 1 162 162 LYS CA C 13 54.6 0.20 . 1 . . . . . . . . 5712 1 744 . 1 1 162 162 LYS CB C 13 36.4 0.20 . 1 . . . . . . . . 5712 1 745 . 1 1 162 162 LYS C C 13 175.2 0.20 . 1 . . . . . . . . 5712 1 746 . 1 1 163 163 ILE N N 15 120.7 0.15 . 1 . . . . . . . . 5712 1 747 . 1 1 163 163 ILE H H 1 8.81 0.05 . 1 . . . . . . . . 5712 1 748 . 1 1 163 163 ILE CA C 13 60.1 0.20 . 1 . . . . . . . . 5712 1 749 . 1 1 163 163 ILE CB C 13 41.1 0.20 . 1 . . . . . . . . 5712 1 750 . 1 1 163 163 ILE C C 13 173.5 0.20 . 1 . . . . . . . . 5712 1 751 . 1 1 164 164 ALA N N 15 125.8 0.15 . 1 . . . . . . . . 5712 1 752 . 1 1 164 164 ALA H H 1 9.05 0.05 . 1 . . . . . . . . 5712 1 753 . 1 1 164 164 ALA CA C 13 50.3 0.20 . 1 . . . . . . . . 5712 1 754 . 1 1 164 164 ALA CB C 13 25.6 0.20 . 1 . . . . . . . . 5712 1 755 . 1 1 164 164 ALA C C 13 178.2 0.20 . 1 . . . . . . . . 5712 1 756 . 1 1 165 165 ILE N N 15 117.8 0.15 . 1 . . . . . . . . 5712 1 757 . 1 1 165 165 ILE H H 1 8.14 0.05 . 1 . . . . . . . . 5712 1 758 . 1 1 165 165 ILE CA C 13 60.8 0.20 . 1 . . . . . . . . 5712 1 759 . 1 1 165 165 ILE CB C 13 39.9 0.20 . 1 . . . . . . . . 5712 1 760 . 1 1 165 165 ILE C C 13 175.4 0.20 . 1 . . . . . . . . 5712 1 761 . 1 1 166 166 TRP N N 15 131.2 0.15 . 1 . . . . . . . . 5712 1 762 . 1 1 166 166 TRP H H 1 9.65 0.05 . 1 . . . . . . . . 5712 1 763 . 1 1 166 166 TRP CA C 13 56.2 0.20 . 1 . . . . . . . . 5712 1 764 . 1 1 166 166 TRP CB C 13 28.4 0.20 . 1 . . . . . . . . 5712 1 765 . 1 1 166 166 TRP C C 13 176.6 0.20 . 1 . . . . . . . . 5712 1 766 . 1 1 167 167 THR N N 15 115.4 0.15 . 1 . . . . . . . . 5712 1 767 . 1 1 167 167 THR H H 1 9.63 0.05 . 1 . . . . . . . . 5712 1 768 . 1 1 167 167 THR CA C 13 60.4 0.20 . 1 . . . . . . . . 5712 1 769 . 1 1 167 167 THR CB C 13 68.9 0.20 . 1 . . . . . . . . 5712 1 770 . 1 1 167 167 THR C C 13 177.5 0.20 . 1 . . . . . . . . 5712 1 771 . 1 1 168 168 THR N N 15 117.3 0.15 . 1 . . . . . . . . 5712 1 772 . 1 1 168 168 THR H H 1 8.63 0.05 . 1 . . . . . . . . 5712 1 773 . 1 1 168 168 THR CA C 13 63.2 0.20 . 1 . . . . . . . . 5712 1 774 . 1 1 168 168 THR CB C 13 70.2 0.20 . 1 . . . . . . . . 5712 1 775 . 1 1 168 168 THR C C 13 172.6 0.20 . 1 . . . . . . . . 5712 1 776 . 1 1 169 169 GLU N N 15 120.5 0.15 . 1 . . . . . . . . 5712 1 777 . 1 1 169 169 GLU H H 1 8.23 0.05 . 1 . . . . . . . . 5712 1 778 . 1 1 169 169 GLU CA C 13 54.1 0.20 . 1 . . . . . . . . 5712 1 779 . 1 1 169 169 GLU CB C 13 31.6 0.20 . 1 . . . . . . . . 5712 1 780 . 1 1 169 169 GLU C C 13 177.1 0.20 . 1 . . . . . . . . 5712 1 781 . 1 1 170 170 CYS N N 15 129.2 0.15 . 1 . . . . . . . . 5712 1 782 . 1 1 170 170 CYS H H 1 9.28 0.05 . 1 . . . . . . . . 5712 1 783 . 1 1 170 170 CYS CA C 13 59.9 0.20 . 1 . . . . . . . . 5712 1 784 . 1 1 170 170 CYS CB C 13 26.9 0.20 . 1 . . . . . . . . 5712 1 785 . 1 1 170 170 CYS C C 13 174.6 0.20 . 1 . . . . . . . . 5712 1 786 . 1 1 171 171 GLU N N 15 116.1 0.15 . 1 . . . . . . . . 5712 1 787 . 1 1 171 171 GLU H H 1 8.89 0.05 . 1 . . . . . . . . 5712 1 788 . 1 1 171 171 GLU CA C 13 55.7 0.20 . 1 . . . . . . . . 5712 1 789 . 1 1 171 171 GLU CB C 13 27.7 0.20 . 1 . . . . . . . . 5712 1 790 . 1 1 171 171 GLU C C 13 177.2 0.20 . 1 . . . . . . . . 5712 1 791 . 1 1 172 172 ASN N N 15 120.5 0.15 . 1 . . . . . . . . 5712 1 792 . 1 1 172 172 ASN H H 1 7.00 0.05 . 1 . . . . . . . . 5712 1 793 . 1 1 172 172 ASN CA C 13 50.6 0.20 . 1 . . . . . . . . 5712 1 794 . 1 1 172 172 ASN CB C 13 35.3 0.20 . 1 . . . . . . . . 5712 1 795 . 1 1 172 172 ASN C C 13 174.1 0.20 . 1 . . . . . . . . 5712 1 796 . 1 1 173 173 ARG N N 15 123.4 0.15 . 1 . . . . . . . . 5712 1 797 . 1 1 173 173 ARG H H 1 7.62 0.05 . 1 . . . . . . . . 5712 1 798 . 1 1 173 173 ARG CA C 13 59.4 0.20 . 1 . . . . . . . . 5712 1 799 . 1 1 173 173 ARG CB C 13 29.4 0.20 . 1 . . . . . . . . 5712 1 800 . 1 1 173 173 ARG C C 13 178.2 0.20 . 1 . . . . . . . . 5712 1 801 . 1 1 174 174 GLU N N 15 121.0 0.15 . 1 . . . . . . . . 5712 1 802 . 1 1 174 174 GLU H H 1 8.69 0.05 . 1 . . . . . . . . 5712 1 803 . 1 1 174 174 GLU CA C 13 59.5 0.20 . 1 . . . . . . . . 5712 1 804 . 1 1 174 174 GLU CB C 13 27.9 0.20 . 1 . . . . . . . . 5712 1 805 . 1 1 174 174 GLU C C 13 177.9 0.20 . 1 . . . . . . . . 5712 1 806 . 1 1 175 175 ALA N N 15 121.7 0.15 . 1 . . . . . . . . 5712 1 807 . 1 1 175 175 ALA H H 1 7.09 0.05 . 1 . . . . . . . . 5712 1 808 . 1 1 175 175 ALA CA C 13 53.7 0.20 . 1 . . . . . . . . 5712 1 809 . 1 1 175 175 ALA CB C 13 19.3 0.20 . 1 . . . . . . . . 5712 1 810 . 1 1 175 175 ALA C C 13 178.9 0.20 . 1 . . . . . . . . 5712 1 811 . 1 1 176 176 VAL N N 15 116.0 0.15 . 1 . . . . . . . . 5712 1 812 . 1 1 176 176 VAL H H 1 8.03 0.05 . 1 . . . . . . . . 5712 1 813 . 1 1 176 176 VAL CA C 13 67.3 0.20 . 1 . . . . . . . . 5712 1 814 . 1 1 176 176 VAL CB C 13 31.2 0.20 . 1 . . . . . . . . 5712 1 815 . 1 1 176 176 VAL C C 13 180.1 0.20 . 1 . . . . . . . . 5712 1 816 . 1 1 177 177 THR N N 15 112.5 0.15 . 1 . . . . . . . . 5712 1 817 . 1 1 177 177 THR H H 1 7.85 0.05 . 1 . . . . . . . . 5712 1 818 . 1 1 177 177 THR CA C 13 66.1 0.20 . 1 . . . . . . . . 5712 1 819 . 1 1 177 177 THR CB C 13 68.2 0.20 . 1 . . . . . . . . 5712 1 820 . 1 1 177 177 THR C C 13 175.7 0.20 . 1 . . . . . . . . 5712 1 821 . 1 1 178 178 HIS N N 15 123.2 0.15 . 1 . . . . . . . . 5712 1 822 . 1 1 178 178 HIS H H 1 7.34 0.05 . 1 . . . . . . . . 5712 1 823 . 1 1 178 178 HIS CA C 13 60.3 0.20 . 1 . . . . . . . . 5712 1 824 . 1 1 178 178 HIS CB C 13 30.7 0.20 . 1 . . . . . . . . 5712 1 825 . 1 1 178 178 HIS C C 13 176.6 0.20 . 1 . . . . . . . . 5712 1 826 . 1 1 179 179 ILE N N 15 116.8 0.15 . 1 . . . . . . . . 5712 1 827 . 1 1 179 179 ILE H H 1 8.00 0.05 . 1 . . . . . . . . 5712 1 828 . 1 1 179 179 ILE CA C 13 64.1 0.20 . 1 . . . . . . . . 5712 1 829 . 1 1 179 179 ILE CB C 13 37.8 0.20 . 1 . . . . . . . . 5712 1 830 . 1 1 179 179 ILE C C 13 176.7 0.20 . 1 . . . . . . . . 5712 1 831 . 1 1 180 180 GLY N N 15 104.7 0.15 . 1 . . . . . . . . 5712 1 832 . 1 1 180 180 GLY H H 1 7.50 0.05 . 1 . . . . . . . . 5712 1 833 . 1 1 180 180 GLY CA C 13 45.6 0.20 . 1 . . . . . . . . 5712 1 834 . 1 1 180 180 GLY C C 13 174.0 0.20 . 1 . . . . . . . . 5712 1 835 . 1 1 181 181 ARG N N 15 120.7 0.15 . 1 . . . . . . . . 5712 1 836 . 1 1 181 181 ARG H H 1 7.56 0.05 . 1 . . . . . . . . 5712 1 837 . 1 1 181 181 ARG CA C 13 59.4 0.20 . 1 . . . . . . . . 5712 1 838 . 1 1 181 181 ARG CB C 13 29.2 0.20 . 1 . . . . . . . . 5712 1 839 . 1 1 181 181 ARG C C 13 179.4 0.20 . 1 . . . . . . . . 5712 1 840 . 1 1 182 182 VAL N N 15 120.5 0.15 . 1 . . . . . . . . 5712 1 841 . 1 1 182 182 VAL H H 1 7.87 0.05 . 1 . . . . . . . . 5712 1 842 . 1 1 182 182 VAL CA C 13 65.5 0.20 . 1 . . . . . . . . 5712 1 843 . 1 1 182 182 VAL CB C 13 31.1 0.20 . 1 . . . . . . . . 5712 1 844 . 1 1 182 182 VAL C C 13 177.9 0.20 . 1 . . . . . . . . 5712 1 845 . 1 1 183 183 TYR N N 15 121.0 0.15 . 1 . . . . . . . . 5712 1 846 . 1 1 183 183 TYR H H 1 8.44 0.05 . 1 . . . . . . . . 5712 1 847 . 1 1 183 183 TYR CA C 13 58.1 0.20 . 1 . . . . . . . . 5712 1 848 . 1 1 183 183 TYR CB C 13 37.8 0.20 . 1 . . . . . . . . 5712 1 849 . 1 1 183 183 TYR C C 13 176.6 0.20 . 1 . . . . . . . . 5712 1 850 . 1 1 184 184 LYS N N 15 117.1 0.15 . 1 . . . . . . . . 5712 1 851 . 1 1 184 184 LYS H H 1 7.93 0.05 . 1 . . . . . . . . 5712 1 852 . 1 1 184 184 LYS CA C 13 59.7 0.20 . 1 . . . . . . . . 5712 1 853 . 1 1 184 184 LYS CB C 13 31.6 0.20 . 1 . . . . . . . . 5712 1 854 . 1 1 184 184 LYS C C 13 178.9 0.20 . 1 . . . . . . . . 5712 1 855 . 1 1 185 185 GLU N N 15 117.9 0.15 . 1 . . . . . . . . 5712 1 856 . 1 1 185 185 GLU H H 1 7.32 0.05 . 1 . . . . . . . . 5712 1 857 . 1 1 185 185 GLU CA C 13 58.4 0.20 . 1 . . . . . . . . 5712 1 858 . 1 1 185 185 GLU CB C 13 28.7 0.20 . 1 . . . . . . . . 5712 1 859 . 1 1 185 185 GLU C C 13 180.3 0.20 . 1 . . . . . . . . 5712 1 860 . 1 1 186 186 ARG N N 15 121.8 0.15 . 1 . . . . . . . . 5712 1 861 . 1 1 186 186 ARG H H 1 8.52 0.05 . 1 . . . . . . . . 5712 1 862 . 1 1 186 186 ARG CA C 13 56.4 0.20 . 1 . . . . . . . . 5712 1 863 . 1 1 186 186 ARG CB C 13 27.8 0.20 . 1 . . . . . . . . 5712 1 864 . 1 1 186 186 ARG C C 13 178.9 0.20 . 1 . . . . . . . . 5712 1 865 . 1 1 187 187 LEU N N 15 117.6 0.15 . 1 . . . . . . . . 5712 1 866 . 1 1 187 187 LEU H H 1 7.71 0.05 . 1 . . . . . . . . 5712 1 867 . 1 1 187 187 LEU CA C 13 55.6 0.20 . 1 . . . . . . . . 5712 1 868 . 1 1 187 187 LEU CB C 13 40.7 0.20 . 1 . . . . . . . . 5712 1 869 . 1 1 187 187 LEU C C 13 175.8 0.20 . 1 . . . . . . . . 5712 1 870 . 1 1 188 188 GLY N N 15 107.0 0.15 . 1 . . . . . . . . 5712 1 871 . 1 1 188 188 GLY H H 1 7.42 0.05 . 1 . . . . . . . . 5712 1 872 . 1 1 188 188 GLY CA C 13 45.3 0.20 . 1 . . . . . . . . 5712 1 873 . 1 1 188 188 GLY C C 13 175.3 0.20 . 1 . . . . . . . . 5712 1 874 . 1 1 189 189 LEU N N 15 119.0 0.15 . 1 . . . . . . . . 5712 1 875 . 1 1 189 189 LEU H H 1 6.81 0.05 . 1 . . . . . . . . 5712 1 876 . 1 1 189 189 LEU CA C 13 52.4 0.20 . 1 . . . . . . . . 5712 1 877 . 1 1 189 189 LEU CB C 13 39.6 0.20 . 1 . . . . . . . . 5712 1 878 . 1 1 191 191 PRO CA C 13 64.8 0.20 . 1 . . . . . . . . 5712 1 879 . 1 1 191 191 PRO CB C 13 31.1 0.20 . 1 . . . . . . . . 5712 1 880 . 1 1 191 191 PRO C C 13 178.2 0.20 . 1 . . . . . . . . 5712 1 881 . 1 1 192 192 LYS N N 15 112.3 0.15 . 1 . . . . . . . . 5712 1 882 . 1 1 192 192 LYS H H 1 7.65 0.05 . 1 . . . . . . . . 5712 1 883 . 1 1 192 192 LYS CA C 13 56.7 0.20 . 1 . . . . . . . . 5712 1 884 . 1 1 192 192 LYS CB C 13 31.1 0.20 . 1 . . . . . . . . 5712 1 885 . 1 1 192 192 LYS C C 13 176.8 0.20 . 1 . . . . . . . . 5712 1 886 . 1 1 193 193 ILE N N 15 122.7 0.15 . 1 . . . . . . . . 5712 1 887 . 1 1 193 193 ILE H H 1 7.47 0.05 . 1 . . . . . . . . 5712 1 888 . 1 1 193 193 ILE CA C 13 59.5 0.20 . 1 . . . . . . . . 5712 1 889 . 1 1 193 193 ILE CB C 13 35.4 0.20 . 1 . . . . . . . . 5712 1 890 . 1 1 193 193 ILE C C 13 174.5 0.20 . 1 . . . . . . . . 5712 1 891 . 1 1 194 194 VAL N N 15 126.1 0.15 . 1 . . . . . . . . 5712 1 892 . 1 1 194 194 VAL H H 1 7.92 0.05 . 1 . . . . . . . . 5712 1 893 . 1 1 194 194 VAL CA C 13 60.5 0.20 . 1 . . . . . . . . 5712 1 894 . 1 1 194 194 VAL CB C 13 32.6 0.20 . 1 . . . . . . . . 5712 1 895 . 1 1 194 194 VAL C C 13 176.9 0.20 . 1 . . . . . . . . 5712 1 896 . 1 1 195 195 ILE N N 15 123.1 0.15 . 1 . . . . . . . . 5712 1 897 . 1 1 195 195 ILE H H 1 8.86 0.05 . 1 . . . . . . . . 5712 1 898 . 1 1 195 195 ILE CA C 13 59.7 0.20 . 1 . . . . . . . . 5712 1 899 . 1 1 195 195 ILE CB C 13 39.2 0.20 . 1 . . . . . . . . 5712 1 900 . 1 1 195 195 ILE C C 13 174.6 0.20 . 1 . . . . . . . . 5712 1 901 . 1 1 196 196 GLY N N 15 108.6 0.15 . 1 . . . . . . . . 5712 1 902 . 1 1 196 196 GLY H H 1 8.18 0.05 . 1 . . . . . . . . 5712 1 903 . 1 1 196 196 GLY CA C 13 43.8 0.20 . 1 . . . . . . . . 5712 1 904 . 1 1 196 196 GLY C C 13 171.2 0.20 . 1 . . . . . . . . 5712 1 905 . 1 1 197 197 TYR N N 15 124.4 0.15 . 1 . . . . . . . . 5712 1 906 . 1 1 197 197 TYR H H 1 8.01 0.05 . 1 . . . . . . . . 5712 1 907 . 1 1 197 197 TYR CA C 13 54.3 0.20 . 1 . . . . . . . . 5712 1 908 . 1 1 197 197 TYR CB C 13 38.7 0.20 . 1 . . . . . . . . 5712 1 909 . 1 1 197 197 TYR C C 13 175.3 0.20 . 1 . . . . . . . . 5712 1 910 . 1 1 198 198 GLN N N 15 125.8 0.15 . 1 . . . . . . . . 5712 1 911 . 1 1 198 198 GLN H H 1 7.76 0.05 . 1 . . . . . . . . 5712 1 912 . 1 1 198 198 GLN CA C 13 52.3 0.20 . 1 . . . . . . . . 5712 1 913 . 1 1 198 198 GLN CB C 13 30.7 0.20 . 1 . . . . . . . . 5712 1 914 . 1 1 198 198 GLN C C 13 175.5 0.20 . 1 . . . . . . . . 5712 1 915 . 1 1 199 199 SER N N 15 119.3 0.15 . 1 . . . . . . . . 5712 1 916 . 1 1 199 199 SER H H 1 9.01 0.05 . 1 . . . . . . . . 5712 1 917 . 1 1 199 199 SER CA C 13 56.5 0.20 . 1 . . . . . . . . 5712 1 918 . 1 1 199 199 SER CB C 13 64.2 0.20 . 1 . . . . . . . . 5712 1 919 . 1 1 199 199 SER C C 13 175.7 0.20 . 1 . . . . . . . . 5712 1 920 . 1 1 200 200 HIS N N 15 127.0 0.15 . 1 . . . . . . . . 5712 1 921 . 1 1 200 200 HIS H H 1 8.13 0.05 . 1 . . . . . . . . 5712 1 922 . 1 1 200 200 HIS CA C 13 57.2 0.20 . 1 . . . . . . . . 5712 1 923 . 1 1 200 200 HIS CB C 13 28.8 0.20 . 1 . . . . . . . . 5712 1 924 . 1 1 200 200 HIS C C 13 178.0 0.20 . 1 . . . . . . . . 5712 1 925 . 1 1 201 201 ALA N N 15 121.9 0.15 . 1 . . . . . . . . 5712 1 926 . 1 1 201 201 ALA H H 1 7.88 0.05 . 1 . . . . . . . . 5712 1 927 . 1 1 201 201 ALA CA C 13 54.1 0.20 . 1 . . . . . . . . 5712 1 928 . 1 1 201 201 ALA CB C 13 17.1 0.20 . 1 . . . . . . . . 5712 1 929 . 1 1 201 201 ALA C C 13 179.6 0.20 . 1 . . . . . . . . 5712 1 930 . 1 1 202 202 ASP N N 15 117.8 0.15 . 1 . . . . . . . . 5712 1 931 . 1 1 202 202 ASP H H 1 7.07 0.05 . 1 . . . . . . . . 5712 1 932 . 1 1 202 202 ASP CA C 13 55.9 0.20 . 1 . . . . . . . . 5712 1 933 . 1 1 202 202 ASP CB C 13 39.3 0.20 . 1 . . . . . . . . 5712 1 934 . 1 1 202 202 ASP C C 13 177.9 0.20 . 1 . . . . . . . . 5712 1 935 . 1 1 203 203 THR N N 15 117.9 0.15 . 1 . . . . . . . . 5712 1 936 . 1 1 203 203 THR H H 1 7.50 0.05 . 1 . . . . . . . . 5712 1 937 . 1 1 203 203 THR CA C 13 64.4 0.20 . 1 . . . . . . . . 5712 1 938 . 1 1 203 203 THR CB C 13 67.8 0.20 . 1 . . . . . . . . 5712 1 939 . 1 1 203 203 THR C C 13 175.6 0.20 . 1 . . . . . . . . 5712 1 940 . 1 1 204 204 ALA N N 15 121.9 0.15 . 1 . . . . . . . . 5712 1 941 . 1 1 204 204 ALA H H 1 7.36 0.05 . 1 . . . . . . . . 5712 1 942 . 1 1 204 204 ALA CA C 13 52.9 0.20 . 1 . . . . . . . . 5712 1 943 . 1 1 204 204 ALA CB C 13 18.0 0.20 . 1 . . . . . . . . 5712 1 944 . 1 1 204 204 ALA C C 13 178.4 0.20 . 1 . . . . . . . . 5712 1 945 . 1 1 205 205 THR N N 15 109.6 0.15 . 1 . . . . . . . . 5712 1 946 . 1 1 205 205 THR H H 1 6.97 0.05 . 1 . . . . . . . . 5712 1 947 . 1 1 205 205 THR CA C 13 61.5 0.20 . 1 . . . . . . . . 5712 1 948 . 1 1 205 205 THR CB C 13 69.3 0.20 . 1 . . . . . . . . 5712 1 949 . 1 1 205 205 THR C C 13 174.5 0.20 . 1 . . . . . . . . 5712 1 950 . 1 1 206 206 LYS N N 15 123.1 0.15 . 1 . . . . . . . . 5712 1 951 . 1 1 206 206 LYS H H 1 7.59 0.05 . 1 . . . . . . . . 5712 1 952 . 1 1 206 206 LYS CA C 13 56.0 0.20 . 1 . . . . . . . . 5712 1 953 . 1 1 206 206 LYS CB C 13 31.1 0.20 . 1 . . . . . . . . 5712 1 954 . 1 1 207 207 SER CA C 13 57.9 0.20 . 1 . . . . . . . . 5712 1 955 . 1 1 207 207 SER C C 13 175.3 0.20 . 1 . . . . . . . . 5712 1 956 . 1 1 208 208 GLY N N 15 112.0 0.15 . 1 . . . . . . . . 5712 1 957 . 1 1 208 208 GLY H H 1 8.26 0.05 . 1 . . . . . . . . 5712 1 958 . 1 1 208 208 GLY CA C 13 45.1 0.20 . 1 . . . . . . . . 5712 1 959 . 1 1 209 209 SER CA C 13 58.4 0.20 . 1 . . . . . . . . 5712 1 960 . 1 1 209 209 SER CB C 13 63.6 0.20 . 1 . . . . . . . . 5712 1 961 . 1 1 209 209 SER C C 13 174.7 0.20 . 1 . . . . . . . . 5712 1 962 . 1 1 210 210 THR N N 15 115.6 0.15 . 1 . . . . . . . . 5712 1 963 . 1 1 210 210 THR H H 1 7.87 0.05 . 1 . . . . . . . . 5712 1 964 . 1 1 210 210 THR CA C 13 61.3 0.20 . 1 . . . . . . . . 5712 1 965 . 1 1 210 210 THR CB C 13 69.3 0.20 . 1 . . . . . . . . 5712 1 966 . 1 1 210 210 THR C C 13 174.3 0.20 . 1 . . . . . . . . 5712 1 967 . 1 1 211 211 THR N N 15 120.0 0.15 . 1 . . . . . . . . 5712 1 968 . 1 1 211 211 THR H H 1 7.94 0.05 . 1 . . . . . . . . 5712 1 969 . 1 1 211 211 THR CA C 13 61.9 0.20 . 1 . . . . . . . . 5712 1 970 . 1 1 211 211 THR CB C 13 68.8 0.20 . 1 . . . . . . . . 5712 1 971 . 1 1 211 211 THR C C 13 173.8 0.20 . 1 . . . . . . . . 5712 1 972 . 1 1 212 212 LYS N N 15 126.3 0.15 . 1 . . . . . . . . 5712 1 973 . 1 1 212 212 LYS H H 1 8.22 0.05 . 1 . . . . . . . . 5712 1 974 . 1 1 212 212 LYS CA C 13 55.5 0.20 . 1 . . . . . . . . 5712 1 975 . 1 1 212 212 LYS CB C 13 32.0 0.20 . 1 . . . . . . . . 5712 1 976 . 1 1 212 212 LYS C C 13 175.8 0.20 . 1 . . . . . . . . 5712 1 977 . 1 1 213 213 ASN N N 15 120.7 0.15 . 1 . . . . . . . . 5712 1 978 . 1 1 213 213 ASN H H 1 8.31 0.05 . 1 . . . . . . . . 5712 1 979 . 1 1 213 213 ASN CA C 13 52.3 0.20 . 1 . . . . . . . . 5712 1 980 . 1 1 213 213 ASN CB C 13 38.2 0.20 . 1 . . . . . . . . 5712 1 981 . 1 1 213 213 ASN C C 13 175.8 0.20 . 1 . . . . . . . . 5712 1 982 . 1 1 214 214 ARG N N 15 124.1 0.15 . 1 . . . . . . . . 5712 1 983 . 1 1 214 214 ARG H H 1 8.97 0.05 . 1 . . . . . . . . 5712 1 984 . 1 1 214 214 ARG CA C 13 56.2 0.20 . 1 . . . . . . . . 5712 1 985 . 1 1 214 214 ARG CB C 13 30.2 0.20 . 1 . . . . . . . . 5712 1 986 . 1 1 214 214 ARG C C 13 175.6 0.20 . 1 . . . . . . . . 5712 1 987 . 1 1 215 215 PHE N N 15 113.0 0.15 . 1 . . . . . . . . 5712 1 988 . 1 1 215 215 PHE H H 1 7.17 0.05 . 1 . . . . . . . . 5712 1 989 . 1 1 215 215 PHE CA C 13 54.9 0.20 . 1 . . . . . . . . 5712 1 990 . 1 1 215 215 PHE CB C 13 42.3 0.20 . 1 . . . . . . . . 5712 1 991 . 1 1 215 215 PHE C C 13 173.8 0.20 . 1 . . . . . . . . 5712 1 992 . 1 1 216 216 VAL N N 15 116.1 0.15 . 1 . . . . . . . . 5712 1 993 . 1 1 216 216 VAL H H 1 8.31 0.05 . 1 . . . . . . . . 5712 1 994 . 1 1 216 216 VAL CA C 13 59.9 0.20 . 1 . . . . . . . . 5712 1 995 . 1 1 216 216 VAL CB C 13 35.4 0.20 . 1 . . . . . . . . 5712 1 996 . 1 1 216 216 VAL C C 13 175.4 0.20 . 1 . . . . . . . . 5712 1 997 . 1 1 217 217 VAL N N 15 124.8 0.15 . 1 . . . . . . . . 5712 1 998 . 1 1 217 217 VAL H H 1 8.47 0.05 . 1 . . . . . . . . 5712 1 999 . 1 1 217 217 VAL CA C 13 62.8 0.20 . 1 . . . . . . . . 5712 1 1000 . 1 1 217 217 VAL CB C 13 33.7 0.20 . 1 . . . . . . . . 5712 1 stop_ save_