data_5709 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5709 _Entry.Title ; 1H, 15N and 13C resonance assignments of the TPR domain of hSGT ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-02-26 _Entry.Accession_date 2003-02-26 _Entry.Last_release_date 2003-06-12 _Entry.Original_release_date 2003-06-12 _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 Jya-Wei Cheng . . . 5709 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5709 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 342 5709 '15N chemical shifts' 115 5709 '1H chemical shifts' 374 5709 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-06-12 2003-02-26 original author . 5709 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5709 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22699292 _Citation.DOI . _Citation.PubMed_ID 12815268 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 15N and 13C Resonance Assignments of the TPR Domain of hSGT ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 26 _Citation.Journal_issue 4 _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 381 _Citation.Page_last 382 _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 Ming-Tao Pai . . . 5709 1 2 Chih-Sheng Yang . . . 5709 1 3 Shiou-Ru Tzeng . . . 5709 1 4 Chung Wang . . . 5709 1 5 Jya-Wei Cheng . . . 5709 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TPR _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TPR _Assembly.Entry_ID 5709 _Assembly.ID 1 _Assembly.Name 'TPR domain of hSGT' _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 5709 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 'TPR monomer' 1 $TPR_monomer . . . native . . . . . 5709 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID TPR abbreviation 5709 1 'TPR domain of hSGT' system 5709 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TPR_monomer _Entity.Sf_category entity _Entity.Sf_framecode TPR_monomer _Entity.Entry_ID 5709 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Tetratricopeptide repeat' _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 ; AERLKTEGNEQMKVENFEAA VHFYGKAIELNPANAVYFCN RAAAYSKLGNYAGAVQDCER AICIDPAYSKAYGRMGLALS SLNKHVEAVAYYKKALELDP DNETYKSNLKIAELKLRE ; _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 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2VYI . "Crystal Structure Of The Tpr Domain Of Human Sgt" . . . . . 100.00 131 100.00 100.00 1.71e-78 . . . . 5709 1 2 no DBJ BAE01321 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 313 100.00 100.00 1.85e-78 . . . . 5709 1 3 no DBJ BAG57017 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 291 100.00 100.00 2.06e-77 . . . . 5709 1 4 no DBJ BAG73729 . "small glutamine-rich tetratricopeptide repeat (TPR)-containing, alpha [synthetic construct]" . . . . . 100.00 313 100.00 100.00 1.92e-78 . . . . 5709 1 5 no EMBL CAA11565 . "small glutamine-rich tetratricopeptide (SGT) [Homo sapiens]" . . . . . 100.00 313 100.00 100.00 1.92e-78 . . . . 5709 1 6 no EMBL CAB39725 . "small glutamine-rich tetratricopeptide repeat containing protein [Homo sapiens]" . . . . . 100.00 313 100.00 100.00 1.92e-78 . . . . 5709 1 7 no EMBL CAB43297 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 313 100.00 100.00 1.92e-78 . . . . 5709 1 8 no EMBL CAG38548 . "SGTA [Homo sapiens]" . . . . . 100.00 313 100.00 100.00 1.92e-78 . . . . 5709 1 9 no EMBL CAG47077 . "SGTA [Homo sapiens]" . . . . . 100.00 313 100.00 100.00 1.92e-78 . . . . 5709 1 10 no GB AAD13117 . "small glutamine-rich tetratricopeptide (SGT) [Homo sapiens]" . . . . . 100.00 313 100.00 100.00 1.92e-78 . . . . 5709 1 11 no GB AAH00390 . "Small glutamine-rich tetratricopeptide repeat (TPR)-containing, alpha [Homo sapiens]" . . . . . 100.00 313 100.00 100.00 1.92e-78 . . . . 5709 1 12 no GB AAH02989 . "Small glutamine-rich tetratricopeptide repeat (TPR)-containing, alpha [Homo sapiens]" . . . . . 100.00 313 100.00 100.00 1.92e-78 . . . . 5709 1 13 no GB AAH05165 . "Small glutamine-rich tetratricopeptide repeat (TPR)-containing, alpha [Homo sapiens]" . . . . . 100.00 313 100.00 100.00 1.92e-78 . . . . 5709 1 14 no GB AAH08885 . "Small glutamine-rich tetratricopeptide repeat (TPR)-containing, alpha [Homo sapiens]" . . . . . 100.00 313 100.00 100.00 1.92e-78 . . . . 5709 1 15 no PIR T08782 . "hypothetical protein DKFZp586N1020.1 - human (fragment)" . . . . . 100.00 349 100.00 100.00 6.00e-78 . . . . 5709 1 16 no REF NP_001181661 . "small glutamine-rich tetratricopeptide repeat-containing protein alpha [Macaca mulatta]" . . . . . 100.00 313 100.00 100.00 2.16e-78 . . . . 5709 1 17 no REF NP_003012 . "small glutamine-rich tetratricopeptide repeat-containing protein alpha [Homo sapiens]" . . . . . 100.00 313 100.00 100.00 1.92e-78 . . . . 5709 1 18 no REF XP_001914923 . "PREDICTED: small glutamine-rich tetratricopeptide repeat-containing protein alpha-like [Equus caballus]" . . . . . 64.41 166 98.68 100.00 3.36e-47 . . . . 5709 1 19 no REF XP_002761612 . "PREDICTED: small glutamine-rich tetratricopeptide repeat-containing protein alpha [Callithrix jacchus]" . . . . . 100.00 313 100.00 100.00 1.38e-78 . . . . 5709 1 20 no REF XP_002923601 . "PREDICTED: small glutamine-rich tetratricopeptide repeat-containing protein alpha-like [Ailuropoda melanoleuca]" . . . . . 100.00 313 97.46 98.31 5.45e-77 . . . . 5709 1 21 no SP O43765 . "RecName: Full=Small glutamine-rich tetratricopeptide repeat-containing protein alpha; AltName: Full=Alpha-SGT; AltName: Full=Vp" . . . . . 100.00 313 100.00 100.00 1.92e-78 . . . . 5709 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Tetratricopeptide repeat' common 5709 1 TPR abbreviation 5709 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 91 ALA . 5709 1 2 92 GLU . 5709 1 3 93 ARG . 5709 1 4 94 LEU . 5709 1 5 95 LYS . 5709 1 6 96 THR . 5709 1 7 97 GLU . 5709 1 8 98 GLY . 5709 1 9 99 ASN . 5709 1 10 100 GLU . 5709 1 11 101 GLN . 5709 1 12 102 MET . 5709 1 13 103 LYS . 5709 1 14 104 VAL . 5709 1 15 105 GLU . 5709 1 16 106 ASN . 5709 1 17 107 PHE . 5709 1 18 108 GLU . 5709 1 19 109 ALA . 5709 1 20 110 ALA . 5709 1 21 111 VAL . 5709 1 22 112 HIS . 5709 1 23 113 PHE . 5709 1 24 114 TYR . 5709 1 25 115 GLY . 5709 1 26 116 LYS . 5709 1 27 117 ALA . 5709 1 28 118 ILE . 5709 1 29 119 GLU . 5709 1 30 120 LEU . 5709 1 31 121 ASN . 5709 1 32 122 PRO . 5709 1 33 123 ALA . 5709 1 34 124 ASN . 5709 1 35 125 ALA . 5709 1 36 126 VAL . 5709 1 37 127 TYR . 5709 1 38 128 PHE . 5709 1 39 129 CYS . 5709 1 40 130 ASN . 5709 1 41 131 ARG . 5709 1 42 132 ALA . 5709 1 43 133 ALA . 5709 1 44 134 ALA . 5709 1 45 135 TYR . 5709 1 46 136 SER . 5709 1 47 137 LYS . 5709 1 48 138 LEU . 5709 1 49 139 GLY . 5709 1 50 140 ASN . 5709 1 51 141 TYR . 5709 1 52 142 ALA . 5709 1 53 143 GLY . 5709 1 54 144 ALA . 5709 1 55 145 VAL . 5709 1 56 146 GLN . 5709 1 57 147 ASP . 5709 1 58 148 CYS . 5709 1 59 149 GLU . 5709 1 60 150 ARG . 5709 1 61 151 ALA . 5709 1 62 152 ILE . 5709 1 63 153 CYS . 5709 1 64 154 ILE . 5709 1 65 155 ASP . 5709 1 66 156 PRO . 5709 1 67 157 ALA . 5709 1 68 158 TYR . 5709 1 69 159 SER . 5709 1 70 160 LYS . 5709 1 71 161 ALA . 5709 1 72 162 TYR . 5709 1 73 163 GLY . 5709 1 74 164 ARG . 5709 1 75 165 MET . 5709 1 76 166 GLY . 5709 1 77 167 LEU . 5709 1 78 168 ALA . 5709 1 79 169 LEU . 5709 1 80 170 SER . 5709 1 81 171 SER . 5709 1 82 172 LEU . 5709 1 83 173 ASN . 5709 1 84 174 LYS . 5709 1 85 175 HIS . 5709 1 86 176 VAL . 5709 1 87 177 GLU . 5709 1 88 178 ALA . 5709 1 89 179 VAL . 5709 1 90 180 ALA . 5709 1 91 181 TYR . 5709 1 92 182 TYR . 5709 1 93 183 LYS . 5709 1 94 184 LYS . 5709 1 95 185 ALA . 5709 1 96 186 LEU . 5709 1 97 187 GLU . 5709 1 98 188 LEU . 5709 1 99 189 ASP . 5709 1 100 190 PRO . 5709 1 101 191 ASP . 5709 1 102 192 ASN . 5709 1 103 193 GLU . 5709 1 104 194 THR . 5709 1 105 195 TYR . 5709 1 106 196 LYS . 5709 1 107 197 SER . 5709 1 108 198 ASN . 5709 1 109 199 LEU . 5709 1 110 200 LYS . 5709 1 111 201 ILE . 5709 1 112 202 ALA . 5709 1 113 203 GLU . 5709 1 114 204 LEU . 5709 1 115 205 LYS . 5709 1 116 206 LEU . 5709 1 117 207 ARG . 5709 1 118 208 GLU . 5709 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 . ALA 1 1 5709 1 . GLU 2 2 5709 1 . ARG 3 3 5709 1 . LEU 4 4 5709 1 . LYS 5 5 5709 1 . THR 6 6 5709 1 . GLU 7 7 5709 1 . GLY 8 8 5709 1 . ASN 9 9 5709 1 . GLU 10 10 5709 1 . GLN 11 11 5709 1 . MET 12 12 5709 1 . LYS 13 13 5709 1 . VAL 14 14 5709 1 . GLU 15 15 5709 1 . ASN 16 16 5709 1 . PHE 17 17 5709 1 . GLU 18 18 5709 1 . ALA 19 19 5709 1 . ALA 20 20 5709 1 . VAL 21 21 5709 1 . HIS 22 22 5709 1 . PHE 23 23 5709 1 . TYR 24 24 5709 1 . GLY 25 25 5709 1 . LYS 26 26 5709 1 . ALA 27 27 5709 1 . ILE 28 28 5709 1 . GLU 29 29 5709 1 . LEU 30 30 5709 1 . ASN 31 31 5709 1 . PRO 32 32 5709 1 . ALA 33 33 5709 1 . ASN 34 34 5709 1 . ALA 35 35 5709 1 . VAL 36 36 5709 1 . TYR 37 37 5709 1 . PHE 38 38 5709 1 . CYS 39 39 5709 1 . ASN 40 40 5709 1 . ARG 41 41 5709 1 . ALA 42 42 5709 1 . ALA 43 43 5709 1 . ALA 44 44 5709 1 . TYR 45 45 5709 1 . SER 46 46 5709 1 . LYS 47 47 5709 1 . LEU 48 48 5709 1 . GLY 49 49 5709 1 . ASN 50 50 5709 1 . TYR 51 51 5709 1 . ALA 52 52 5709 1 . GLY 53 53 5709 1 . ALA 54 54 5709 1 . VAL 55 55 5709 1 . GLN 56 56 5709 1 . ASP 57 57 5709 1 . CYS 58 58 5709 1 . GLU 59 59 5709 1 . ARG 60 60 5709 1 . ALA 61 61 5709 1 . ILE 62 62 5709 1 . CYS 63 63 5709 1 . ILE 64 64 5709 1 . ASP 65 65 5709 1 . PRO 66 66 5709 1 . ALA 67 67 5709 1 . TYR 68 68 5709 1 . SER 69 69 5709 1 . LYS 70 70 5709 1 . ALA 71 71 5709 1 . TYR 72 72 5709 1 . GLY 73 73 5709 1 . ARG 74 74 5709 1 . MET 75 75 5709 1 . GLY 76 76 5709 1 . LEU 77 77 5709 1 . ALA 78 78 5709 1 . LEU 79 79 5709 1 . SER 80 80 5709 1 . SER 81 81 5709 1 . LEU 82 82 5709 1 . ASN 83 83 5709 1 . LYS 84 84 5709 1 . HIS 85 85 5709 1 . VAL 86 86 5709 1 . GLU 87 87 5709 1 . ALA 88 88 5709 1 . VAL 89 89 5709 1 . ALA 90 90 5709 1 . TYR 91 91 5709 1 . TYR 92 92 5709 1 . LYS 93 93 5709 1 . LYS 94 94 5709 1 . ALA 95 95 5709 1 . LEU 96 96 5709 1 . GLU 97 97 5709 1 . LEU 98 98 5709 1 . ASP 99 99 5709 1 . PRO 100 100 5709 1 . ASP 101 101 5709 1 . ASN 102 102 5709 1 . GLU 103 103 5709 1 . THR 104 104 5709 1 . TYR 105 105 5709 1 . LYS 106 106 5709 1 . SER 107 107 5709 1 . ASN 108 108 5709 1 . LEU 109 109 5709 1 . LYS 110 110 5709 1 . ILE 111 111 5709 1 . ALA 112 112 5709 1 . GLU 113 113 5709 1 . LEU 114 114 5709 1 . LYS 115 115 5709 1 . LEU 116 116 5709 1 . ARG 117 117 5709 1 . GLU 118 118 5709 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5709 _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 $TPR_monomer . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5709 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 5709 _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 $TPR_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5709 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5709 _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 'Tetratricopeptide repeat' '[U-95% 13C; U-90% 15N]' . . 1 $TPR_monomer . . . 0.5 1.5 mM . . . . 5709 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 5709 _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 6.5 0.2 n/a 5709 1 temperature 298 1 K 5709 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 5709 _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 5709 _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 . . . 5709 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 5709 _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 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5709 1 2 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5709 1 3 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5709 1 4 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5709 1 5 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5709 1 6 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5709 1 7 HBHA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5709 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 5709 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5709 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5709 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5709 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5709 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5709 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5709 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HBHA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5709 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5709 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5709 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5709 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5709 _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 . 5709 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA N N 15 122.54 0.05 . 1 . . . . . . . . 5709 1 2 . 1 1 1 1 ALA H H 1 8.29 0.03 . 1 . . . . . . . . 5709 1 3 . 1 1 1 1 ALA HA H 1 3.87 0.03 . 1 . . . . . . . . 5709 1 4 . 1 1 1 1 ALA HB1 H 1 1.75 0.03 . 1 . . . . . . . . 5709 1 5 . 1 1 1 1 ALA HB2 H 1 1.75 0.03 . 1 . . . . . . . . 5709 1 6 . 1 1 1 1 ALA HB3 H 1 1.75 0.03 . 1 . . . . . . . . 5709 1 7 . 1 1 1 1 ALA CA C 13 55.41 0.05 . 1 . . . . . . . . 5709 1 8 . 1 1 1 1 ALA CB C 13 18.21 0.05 . 1 . . . . . . . . 5709 1 9 . 1 1 1 1 ALA C C 13 178.65 0.05 . 1 . . . . . . . . 5709 1 10 . 1 1 2 2 GLU N N 15 115.79 0.05 . 1 . . . . . . . . 5709 1 11 . 1 1 2 2 GLU H H 1 7.87 0.03 . 1 . . . . . . . . 5709 1 12 . 1 1 2 2 GLU HA H 1 4.03 0.03 . 1 . . . . . . . . 5709 1 13 . 1 1 2 2 GLU CA C 13 58.19 0.05 . 1 . . . . . . . . 5709 1 14 . 1 1 2 2 GLU CB C 13 29.66 0.05 . 1 . . . . . . . . 5709 1 15 . 1 1 2 2 GLU C C 13 179.00 0.05 . 1 . . . . . . . . 5709 1 16 . 1 1 3 3 ARG N N 15 123.41 0.05 . 1 . . . . . . . . 5709 1 17 . 1 1 3 3 ARG H H 1 7.94 0.03 . 1 . . . . . . . . 5709 1 18 . 1 1 3 3 ARG CA C 13 59.34 0.05 . 1 . . . . . . . . 5709 1 19 . 1 1 3 3 ARG CB C 13 29.30 0.05 . 1 . . . . . . . . 5709 1 20 . 1 1 3 3 ARG C C 13 179.06 0.05 . 1 . . . . . . . . 5709 1 21 . 1 1 4 4 LEU N N 15 122.23 0.05 . 1 . . . . . . . . 5709 1 22 . 1 1 4 4 LEU H H 1 7.95 0.03 . 1 . . . . . . . . 5709 1 23 . 1 1 4 4 LEU HA H 1 4.48 0.03 . 1 . . . . . . . . 5709 1 24 . 1 1 4 4 LEU HB2 H 1 2.91 0.03 . 1 . . . . . . . . 5709 1 25 . 1 1 4 4 LEU CA C 13 57.88 0.05 . 1 . . . . . . . . 5709 1 26 . 1 1 4 4 LEU CB C 13 40.95 0.05 . 1 . . . . . . . . 5709 1 27 . 1 1 4 4 LEU C C 13 178.37 0.05 . 1 . . . . . . . . 5709 1 28 . 1 1 5 5 LYS N N 15 121.06 0.05 . 1 . . . . . . . . 5709 1 29 . 1 1 5 5 LYS H H 1 8.37 0.03 . 1 . . . . . . . . 5709 1 30 . 1 1 5 5 LYS HA H 1 3.60 0.03 . 1 . . . . . . . . 5709 1 31 . 1 1 5 5 LYS CA C 13 59.45 0.05 . 1 . . . . . . . . 5709 1 32 . 1 1 5 5 LYS CB C 13 29.64 0.05 . 1 . . . . . . . . 5709 1 33 . 1 1 5 5 LYS C C 13 177.75 0.05 . 1 . . . . . . . . 5709 1 34 . 1 1 6 6 THR N N 15 117.76 0.05 . 1 . . . . . . . . 5709 1 35 . 1 1 6 6 THR H H 1 8.26 0.03 . 1 . . . . . . . . 5709 1 36 . 1 1 6 6 THR HA H 1 4.22 0.03 . 1 . . . . . . . . 5709 1 37 . 1 1 6 6 THR CA C 13 67.07 0.05 . 1 . . . . . . . . 5709 1 38 . 1 1 7 7 GLU N N 15 122.38 0.05 . 1 . . . . . . . . 5709 1 39 . 1 1 7 7 GLU H H 1 7.89 0.03 . 1 . . . . . . . . 5709 1 40 . 1 1 7 7 GLU HA H 1 3.69 0.03 . 1 . . . . . . . . 5709 1 41 . 1 1 7 7 GLU CA C 13 58.89 0.05 . 1 . . . . . . . . 5709 1 42 . 1 1 7 7 GLU CB C 13 27.40 0.05 . 1 . . . . . . . . 5709 1 43 . 1 1 7 7 GLU C C 13 179.47 0.05 . 1 . . . . . . . . 5709 1 44 . 1 1 8 8 GLY N N 15 107.85 0.05 . 1 . . . . . . . . 5709 1 45 . 1 1 8 8 GLY H H 1 8.28 0.03 . 1 . . . . . . . . 5709 1 46 . 1 1 8 8 GLY HA2 H 1 3.16 0.03 . 1 . . . . . . . . 5709 1 47 . 1 1 8 8 GLY HA3 H 1 2.86 0.03 . 1 . . . . . . . . 5709 1 48 . 1 1 8 8 GLY CA C 13 47.97 0.05 . 1 . . . . . . . . 5709 1 49 . 1 1 8 8 GLY C C 13 174.34 0.05 . 1 . . . . . . . . 5709 1 50 . 1 1 9 9 ASN N N 15 121.46 0.05 . 1 . . . . . . . . 5709 1 51 . 1 1 9 9 ASN H H 1 8.69 0.03 . 1 . . . . . . . . 5709 1 52 . 1 1 9 9 ASN HA H 1 4.25 0.03 . 1 . . . . . . . . 5709 1 53 . 1 1 9 9 ASN HB2 H 1 3.33 0.03 . 1 . . . . . . . . 5709 1 54 . 1 1 9 9 ASN HB3 H 1 2.92 0.03 . 1 . . . . . . . . 5709 1 55 . 1 1 9 9 ASN CA C 13 55.35 0.05 . 1 . . . . . . . . 5709 1 56 . 1 1 9 9 ASN CB C 13 36.69 0.05 . 1 . . . . . . . . 5709 1 57 . 1 1 9 9 ASN C C 13 174.37 0.05 . 1 . . . . . . . . 5709 1 58 . 1 1 10 10 GLU N N 15 122.11 0.05 . 1 . . . . . . . . 5709 1 59 . 1 1 10 10 GLU H H 1 8.24 0.03 . 1 . . . . . . . . 5709 1 60 . 1 1 10 10 GLU HA H 1 4.02 0.03 . 1 . . . . . . . . 5709 1 61 . 1 1 10 10 GLU HB2 H 1 2.22 0.03 . 1 . . . . . . . . 5709 1 62 . 1 1 10 10 GLU CA C 13 58.67 0.05 . 1 . . . . . . . . 5709 1 63 . 1 1 10 10 GLU CB C 13 28.23 0.05 . 1 . . . . . . . . 5709 1 64 . 1 1 11 11 GLN N N 15 118.30 0.05 . 1 . . . . . . . . 5709 1 65 . 1 1 11 11 GLN H H 1 7.82 0.03 . 1 . . . . . . . . 5709 1 66 . 1 1 11 11 GLN HA H 1 4.08 0.03 . 1 . . . . . . . . 5709 1 67 . 1 1 11 11 GLN CA C 13 56.76 0.05 . 1 . . . . . . . . 5709 1 68 . 1 1 11 11 GLN CB C 13 26.16 0.05 . 1 . . . . . . . . 5709 1 69 . 1 1 11 11 GLN C C 13 178.60 0.05 . 1 . . . . . . . . 5709 1 70 . 1 1 12 12 MET N N 15 118.95 0.05 . 1 . . . . . . . . 5709 1 71 . 1 1 12 12 MET H H 1 8.21 0.03 . 1 . . . . . . . . 5709 1 72 . 1 1 12 12 MET HA H 1 4.06 0.03 . 1 . . . . . . . . 5709 1 73 . 1 1 12 12 MET CA C 13 57.10 0.05 . 1 . . . . . . . . 5709 1 74 . 1 1 12 12 MET CB C 13 30.20 0.05 . 1 . . . . . . . . 5709 1 75 . 1 1 12 12 MET C C 13 180.37 0.05 . 1 . . . . . . . . 5709 1 76 . 1 1 13 13 LYS N N 15 119.70 0.05 . 1 . . . . . . . . 5709 1 77 . 1 1 13 13 LYS H H 1 7.52 0.03 . 1 . . . . . . . . 5709 1 78 . 1 1 13 13 LYS HA H 1 3.98 0.03 . 1 . . . . . . . . 5709 1 79 . 1 1 13 13 LYS HB2 H 1 1.95 0.03 . 1 . . . . . . . . 5709 1 80 . 1 1 13 13 LYS CA C 13 59.00 0.05 . 1 . . . . . . . . 5709 1 81 . 1 1 13 13 LYS CB C 13 32.22 0.05 . 1 . . . . . . . . 5709 1 82 . 1 1 13 13 LYS C C 13 177.87 0.05 . 1 . . . . . . . . 5709 1 83 . 1 1 14 14 VAL N N 15 108.40 0.05 . 1 . . . . . . . . 5709 1 84 . 1 1 14 14 VAL H H 1 6.92 0.03 . 1 . . . . . . . . 5709 1 85 . 1 1 14 14 VAL HA H 1 4.37 0.03 . 1 . . . . . . . . 5709 1 86 . 1 1 14 14 VAL HB H 1 2.51 0.03 . 1 . . . . . . . . 5709 1 87 . 1 1 14 14 VAL CA C 13 59.87 0.05 . 1 . . . . . . . . 5709 1 88 . 1 1 14 14 VAL C C 13 174.25 0.05 . 1 . . . . . . . . 5709 1 89 . 1 1 15 15 GLU N N 15 114.21 0.05 . 1 . . . . . . . . 5709 1 90 . 1 1 15 15 GLU H H 1 7.47 0.03 . 1 . . . . . . . . 5709 1 91 . 1 1 15 15 GLU HA H 1 4.05 0.03 . 1 . . . . . . . . 5709 1 92 . 1 1 15 15 GLU HB2 H 1 2.68 0.03 . 1 . . . . . . . . 5709 1 93 . 1 1 15 15 GLU HB3 H 1 2.08 0.03 . 1 . . . . . . . . 5709 1 94 . 1 1 15 15 GLU CA C 13 56.50 0.05 . 1 . . . . . . . . 5709 1 95 . 1 1 15 15 GLU CB C 13 25.05 0.05 . 1 . . . . . . . . 5709 1 96 . 1 1 15 15 GLU C C 13 173.94 0.05 . 1 . . . . . . . . 5709 1 97 . 1 1 16 16 ASN N N 15 118.26 0.05 . 1 . . . . . . . . 5709 1 98 . 1 1 16 16 ASN H H 1 7.92 0.03 . 1 . . . . . . . . 5709 1 99 . 1 1 16 16 ASN HA H 1 4.85 0.03 . 1 . . . . . . . . 5709 1 100 . 1 1 16 16 ASN HB2 H 1 3.38 0.03 . 1 . . . . . . . . 5709 1 101 . 1 1 16 16 ASN HB3 H 1 2.45 0.03 . 1 . . . . . . . . 5709 1 102 . 1 1 16 16 ASN CA C 13 49.91 0.05 . 1 . . . . . . . . 5709 1 103 . 1 1 16 16 ASN CB C 13 38.38 0.05 . 1 . . . . . . . . 5709 1 104 . 1 1 16 16 ASN C C 13 175.62 0.05 . 1 . . . . . . . . 5709 1 105 . 1 1 17 17 PHE N N 15 120.41 0.05 . 1 . . . . . . . . 5709 1 106 . 1 1 17 17 PHE H H 1 7.02 0.03 . 1 . . . . . . . . 5709 1 107 . 1 1 17 17 PHE HA H 1 4.20 0.03 . 1 . . . . . . . . 5709 1 108 . 1 1 17 17 PHE HB2 H 1 2.77 0.03 . 1 . . . . . . . . 5709 1 109 . 1 1 17 17 PHE CA C 13 59.90 0.05 . 1 . . . . . . . . 5709 1 110 . 1 1 17 17 PHE CB C 13 37.82 0.05 . 1 . . . . . . . . 5709 1 111 . 1 1 17 17 PHE C C 13 177.51 0.05 . 1 . . . . . . . . 5709 1 112 . 1 1 18 18 GLU N N 15 118.80 0.05 . 1 . . . . . . . . 5709 1 113 . 1 1 18 18 GLU H H 1 9.06 0.03 . 1 . . . . . . . . 5709 1 114 . 1 1 18 18 GLU HA H 1 3.89 0.03 . 1 . . . . . . . . 5709 1 115 . 1 1 18 18 GLU HB2 H 1 1.99 0.03 . 1 . . . . . . . . 5709 1 116 . 1 1 18 18 GLU CA C 13 59.56 0.05 . 1 . . . . . . . . 5709 1 117 . 1 1 18 18 GLU CB C 13 28.74 0.05 . 1 . . . . . . . . 5709 1 118 . 1 1 18 18 GLU C C 13 179.00 0.05 . 1 . . . . . . . . 5709 1 119 . 1 1 19 19 ALA N N 15 121.99 0.05 . 1 . . . . . . . . 5709 1 120 . 1 1 19 19 ALA H H 1 7.45 0.03 . 1 . . . . . . . . 5709 1 121 . 1 1 19 19 ALA HA H 1 3.99 0.03 . 1 . . . . . . . . 5709 1 122 . 1 1 19 19 ALA HB1 H 1 1.29 0.03 . 1 . . . . . . . . 5709 1 123 . 1 1 19 19 ALA HB2 H 1 1.29 0.03 . 1 . . . . . . . . 5709 1 124 . 1 1 19 19 ALA HB3 H 1 1.29 0.03 . 1 . . . . . . . . 5709 1 125 . 1 1 19 19 ALA CA C 13 54.07 0.05 . 1 . . . . . . . . 5709 1 126 . 1 1 19 19 ALA CB C 13 17.98 0.05 . 1 . . . . . . . . 5709 1 127 . 1 1 19 19 ALA C C 13 179.30 0.05 . 1 . . . . . . . . 5709 1 128 . 1 1 20 20 ALA N N 15 120.52 0.05 . 1 . . . . . . . . 5709 1 129 . 1 1 20 20 ALA H H 1 7.92 0.03 . 1 . . . . . . . . 5709 1 130 . 1 1 20 20 ALA HA H 1 3.66 0.03 . 1 . . . . . . . . 5709 1 131 . 1 1 20 20 ALA HB1 H 1 1.42 0.03 . 1 . . . . . . . . 5709 1 132 . 1 1 20 20 ALA HB2 H 1 1.42 0.03 . 1 . . . . . . . . 5709 1 133 . 1 1 20 20 ALA HB3 H 1 1.42 0.03 . 1 . . . . . . . . 5709 1 134 . 1 1 20 20 ALA CA C 13 55.89 0.05 . 1 . . . . . . . . 5709 1 135 . 1 1 20 20 ALA CB C 13 17.76 0.05 . 1 . . . . . . . . 5709 1 136 . 1 1 20 20 ALA C C 13 177.52 0.05 . 1 . . . . . . . . 5709 1 137 . 1 1 21 21 VAL N N 15 116.24 0.05 . 1 . . . . . . . . 5709 1 138 . 1 1 21 21 VAL H H 1 8.11 0.03 . 1 . . . . . . . . 5709 1 139 . 1 1 21 21 VAL HA H 1 3.11 0.03 . 1 . . . . . . . . 5709 1 140 . 1 1 21 21 VAL HB H 1 2.18 0.03 . 1 . . . . . . . . 5709 1 141 . 1 1 21 21 VAL CA C 13 67.74 0.05 . 1 . . . . . . . . 5709 1 142 . 1 1 21 21 VAL CB C 13 31.54 0.05 . 1 . . . . . . . . 5709 1 143 . 1 1 21 21 VAL C C 13 178.52 0.05 . 1 . . . . . . . . 5709 1 144 . 1 1 22 22 HIS N N 15 119.64 0.05 . 1 . . . . . . . . 5709 1 145 . 1 1 22 22 HIS H H 1 7.42 0.03 . 1 . . . . . . . . 5709 1 146 . 1 1 22 22 HIS HA H 1 4.09 0.03 . 1 . . . . . . . . 5709 1 147 . 1 1 22 22 HIS HB2 H 1 2.90 0.03 . 1 . . . . . . . . 5709 1 148 . 1 1 22 22 HIS CA C 13 59.00 0.05 . 1 . . . . . . . . 5709 1 149 . 1 1 22 22 HIS CB C 13 28.74 0.05 . 1 . . . . . . . . 5709 1 150 . 1 1 22 22 HIS C C 13 177.60 0.05 . 1 . . . . . . . . 5709 1 151 . 1 1 23 23 PHE N N 15 119.03 0.05 . 1 . . . . . . . . 5709 1 152 . 1 1 23 23 PHE H H 1 8.10 0.03 . 1 . . . . . . . . 5709 1 153 . 1 1 23 23 PHE HA H 1 3.81 0.03 . 1 . . . . . . . . 5709 1 154 . 1 1 23 23 PHE HB2 H 1 3.16 0.03 . 1 . . . . . . . . 5709 1 155 . 1 1 23 23 PHE CA C 13 62.81 0.05 . 1 . . . . . . . . 5709 1 156 . 1 1 23 23 PHE CB C 13 37.73 0.05 . 1 . . . . . . . . 5709 1 157 . 1 1 23 23 PHE C C 13 178.21 0.05 . 1 . . . . . . . . 5709 1 158 . 1 1 24 24 TYR N N 15 116.74 0.05 . 1 . . . . . . . . 5709 1 159 . 1 1 24 24 TYR H H 1 8.80 0.03 . 1 . . . . . . . . 5709 1 160 . 1 1 24 24 TYR HA H 1 4.20 0.03 . 1 . . . . . . . . 5709 1 161 . 1 1 24 24 TYR CA C 13 58.44 0.05 . 1 . . . . . . . . 5709 1 162 . 1 1 24 24 TYR CB C 13 37.03 0.05 . 1 . . . . . . . . 5709 1 163 . 1 1 24 24 TYR C C 13 178.13 0.05 . 1 . . . . . . . . 5709 1 164 . 1 1 25 25 GLY N N 15 105.20 0.05 . 1 . . . . . . . . 5709 1 165 . 1 1 25 25 GLY H H 1 8.30 0.03 . 1 . . . . . . . . 5709 1 166 . 1 1 25 25 GLY HA2 H 1 3.64 0.03 . 1 . . . . . . . . 5709 1 167 . 1 1 25 25 GLY CA C 13 47.07 0.05 . 1 . . . . . . . . 5709 1 168 . 1 1 25 25 GLY C C 13 176.21 0.05 . 1 . . . . . . . . 5709 1 169 . 1 1 26 26 LYS N N 15 122.22 0.05 . 1 . . . . . . . . 5709 1 170 . 1 1 26 26 LYS H H 1 7.57 0.03 . 1 . . . . . . . . 5709 1 171 . 1 1 26 26 LYS HA H 1 3.93 0.03 . 1 . . . . . . . . 5709 1 172 . 1 1 26 26 LYS HB2 H 1 1.81 0.03 . 1 . . . . . . . . 5709 1 173 . 1 1 26 26 LYS CA C 13 57.77 0.05 . 1 . . . . . . . . 5709 1 174 . 1 1 26 26 LYS CB C 13 31.54 0.05 . 1 . . . . . . . . 5709 1 175 . 1 1 26 26 LYS C C 13 178.34 0.05 . 1 . . . . . . . . 5709 1 176 . 1 1 27 27 ALA N N 15 123.92 0.05 . 1 . . . . . . . . 5709 1 177 . 1 1 27 27 ALA H H 1 7.77 0.03 . 1 . . . . . . . . 5709 1 178 . 1 1 27 27 ALA HA H 1 3.71 0.03 . 1 . . . . . . . . 5709 1 179 . 1 1 27 27 ALA HB1 H 1 0.83 0.03 . 1 . . . . . . . . 5709 1 180 . 1 1 27 27 ALA HB2 H 1 0.83 0.03 . 1 . . . . . . . . 5709 1 181 . 1 1 27 27 ALA HB3 H 1 0.83 0.03 . 1 . . . . . . . . 5709 1 182 . 1 1 27 27 ALA CA C 13 55.41 0.05 . 1 . . . . . . . . 5709 1 183 . 1 1 27 27 ALA CB C 13 15.85 0.05 . 1 . . . . . . . . 5709 1 184 . 1 1 27 27 ALA C C 13 178.34 0.05 . 1 . . . . . . . . 5709 1 185 . 1 1 28 28 ILE N N 15 118.52 0.05 . 1 . . . . . . . . 5709 1 186 . 1 1 28 28 ILE H H 1 7.80 0.03 . 1 . . . . . . . . 5709 1 187 . 1 1 28 28 ILE HA H 1 3.42 0.03 . 1 . . . . . . . . 5709 1 188 . 1 1 28 28 ILE CA C 13 64.16 0.05 . 1 . . . . . . . . 5709 1 189 . 1 1 28 28 ILE CB C 13 38.60 0.05 . 1 . . . . . . . . 5709 1 190 . 1 1 28 28 ILE C C 13 176.67 0.05 . 1 . . . . . . . . 5709 1 191 . 1 1 29 29 GLU N N 15 117.07 0.05 . 1 . . . . . . . . 5709 1 192 . 1 1 29 29 GLU H H 1 7.47 0.03 . 1 . . . . . . . . 5709 1 193 . 1 1 29 29 GLU HA H 1 3.83 0.03 . 1 . . . . . . . . 5709 1 194 . 1 1 29 29 GLU HB2 H 1 2.02 0.03 . 1 . . . . . . . . 5709 1 195 . 1 1 29 29 GLU CA C 13 58.66 0.05 . 1 . . . . . . . . 5709 1 196 . 1 1 29 29 GLU CB C 13 29.37 0.05 . 1 . . . . . . . . 5709 1 197 . 1 1 29 29 GLU C C 13 178.49 0.05 . 1 . . . . . . . . 5709 1 198 . 1 1 30 30 LEU N N 15 116.45 0.05 . 1 . . . . . . . . 5709 1 199 . 1 1 30 30 LEU H H 1 7.12 0.03 . 1 . . . . . . . . 5709 1 200 . 1 1 30 30 LEU HA H 1 4.16 0.03 . 1 . . . . . . . . 5709 1 201 . 1 1 30 30 LEU HB2 H 1 1.46 0.03 . 1 . . . . . . . . 5709 1 202 . 1 1 30 30 LEU CA C 13 55.75 0.05 . 1 . . . . . . . . 5709 1 203 . 1 1 30 30 LEU CB C 13 43.20 0.05 . 1 . . . . . . . . 5709 1 204 . 1 1 30 30 LEU C C 13 177.39 0.05 . 1 . . . . . . . . 5709 1 205 . 1 1 31 31 ASN N N 15 114.14 0.05 . 1 . . . . . . . . 5709 1 206 . 1 1 31 31 ASN H H 1 8.23 0.03 . 1 . . . . . . . . 5709 1 207 . 1 1 31 31 ASN HA H 1 5.05 0.03 . 1 . . . . . . . . 5709 1 208 . 1 1 31 31 ASN CA C 13 50.10 0.05 . 1 . . . . . . . . 5709 1 209 . 1 1 31 31 ASN CB C 13 43.25 0.05 . 1 . . . . . . . . 5709 1 210 . 1 1 31 31 ASN C C 13 174.43 0.05 . 1 . . . . . . . . 5709 1 211 . 1 1 32 32 PRO HA H 1 4.76 0.03 . 1 . . . . . . . . 5709 1 212 . 1 1 32 32 PRO HB2 H 1 2.39 0.03 . 1 . . . . . . . . 5709 1 213 . 1 1 32 32 PRO CA C 13 63.04 0.05 . 1 . . . . . . . . 5709 1 214 . 1 1 32 32 PRO CB C 13 31.00 0.05 . 1 . . . . . . . . 5709 1 215 . 1 1 32 32 PRO C C 13 175.51 0.05 . 1 . . . . . . . . 5709 1 216 . 1 1 33 33 ALA N N 15 122.22 0.05 . 1 . . . . . . . . 5709 1 217 . 1 1 33 33 ALA H H 1 7.52 0.03 . 1 . . . . . . . . 5709 1 218 . 1 1 33 33 ALA HA H 1 4.52 0.03 . 1 . . . . . . . . 5709 1 219 . 1 1 33 33 ALA HB1 H 1 1.33 0.03 . 1 . . . . . . . . 5709 1 220 . 1 1 33 33 ALA HB2 H 1 1.33 0.03 . 1 . . . . . . . . 5709 1 221 . 1 1 33 33 ALA HB3 H 1 1.33 0.03 . 1 . . . . . . . . 5709 1 222 . 1 1 33 33 ALA CA C 13 50.26 0.05 . 1 . . . . . . . . 5709 1 223 . 1 1 33 33 ALA CB C 13 18.21 0.05 . 1 . . . . . . . . 5709 1 224 . 1 1 33 33 ALA C C 13 175.05 0.05 . 1 . . . . . . . . 5709 1 225 . 1 1 34 34 ASN N N 15 118.04 0.05 . 1 . . . . . . . . 5709 1 226 . 1 1 34 34 ASN H H 1 7.55 0.03 . 1 . . . . . . . . 5709 1 227 . 1 1 34 34 ASN HA H 1 4.56 0.03 . 1 . . . . . . . . 5709 1 228 . 1 1 34 34 ASN HB2 H 1 2.31 0.03 . 1 . . . . . . . . 5709 1 229 . 1 1 34 34 ASN HB3 H 1 1.85 0.03 . 1 . . . . . . . . 5709 1 230 . 1 1 34 34 ASN CA C 13 51.72 0.05 . 1 . . . . . . . . 5709 1 231 . 1 1 34 34 ASN CB C 13 39.05 0.05 . 1 . . . . . . . . 5709 1 232 . 1 1 34 34 ASN C C 13 174.82 0.05 . 1 . . . . . . . . 5709 1 233 . 1 1 35 35 ALA N N 15 127.67 0.05 . 1 . . . . . . . . 5709 1 234 . 1 1 35 35 ALA H H 1 9.03 0.03 . 1 . . . . . . . . 5709 1 235 . 1 1 35 35 ALA HA H 1 3.89 0.03 . 1 . . . . . . . . 5709 1 236 . 1 1 35 35 ALA HB1 H 1 1.36 0.03 . 1 . . . . . . . . 5709 1 237 . 1 1 35 35 ALA HB2 H 1 1.36 0.03 . 1 . . . . . . . . 5709 1 238 . 1 1 35 35 ALA HB3 H 1 1.36 0.03 . 1 . . . . . . . . 5709 1 239 . 1 1 35 35 ALA CA C 13 55.19 0.05 . 1 . . . . . . . . 5709 1 240 . 1 1 35 35 ALA CB C 13 19.44 0.05 . 1 . . . . . . . . 5709 1 241 . 1 1 35 35 ALA C C 13 178.52 0.05 . 1 . . . . . . . . 5709 1 242 . 1 1 36 36 VAL N N 15 116.06 0.05 . 1 . . . . . . . . 5709 1 243 . 1 1 36 36 VAL H H 1 7.68 0.03 . 1 . . . . . . . . 5709 1 244 . 1 1 36 36 VAL HA H 1 3.52 0.03 . 1 . . . . . . . . 5709 1 245 . 1 1 36 36 VAL CA C 13 65.05 0.05 . 1 . . . . . . . . 5709 1 246 . 1 1 36 36 VAL CB C 13 30.87 0.05 . 1 . . . . . . . . 5709 1 247 . 1 1 36 36 VAL C C 13 178.24 0.05 . 1 . . . . . . . . 5709 1 248 . 1 1 37 37 TYR N N 15 117.47 0.05 . 1 . . . . . . . . 5709 1 249 . 1 1 37 37 TYR H H 1 6.93 0.03 . 1 . . . . . . . . 5709 1 250 . 1 1 37 37 TYR HA H 1 4.04 0.03 . 1 . . . . . . . . 5709 1 251 . 1 1 37 37 TYR HB2 H 1 2.82 0.03 . 1 . . . . . . . . 5709 1 252 . 1 1 37 37 TYR CA C 13 57.43 0.05 . 1 . . . . . . . . 5709 1 253 . 1 1 37 37 TYR CB C 13 36.03 0.05 . 1 . . . . . . . . 5709 1 254 . 1 1 37 37 TYR C C 13 177.97 0.05 . 1 . . . . . . . . 5709 1 255 . 1 1 38 38 PHE N N 15 115.36 0.05 . 1 . . . . . . . . 5709 1 256 . 1 1 38 38 PHE H H 1 6.77 0.03 . 1 . . . . . . . . 5709 1 257 . 1 1 38 38 PHE HA H 1 4.01 0.03 . 1 . . . . . . . . 5709 1 258 . 1 1 38 38 PHE HB2 H 1 3.02 0.03 . 1 . . . . . . . . 5709 1 259 . 1 1 38 38 PHE CA C 13 62.23 0.05 . 1 . . . . . . . . 5709 1 260 . 1 1 38 38 PHE CB C 13 39.65 0.05 . 1 . . . . . . . . 5709 1 261 . 1 1 38 38 PHE C C 13 177.12 0.05 . 1 . . . . . . . . 5709 1 262 . 1 1 39 39 CYS N N 15 119.03 0.05 . 1 . . . . . . . . 5709 1 263 . 1 1 39 39 CYS H H 1 8.10 0.03 . 1 . . . . . . . . 5709 1 264 . 1 1 39 39 CYS HA H 1 3.92 0.03 . 1 . . . . . . . . 5709 1 265 . 1 1 39 39 CYS HB2 H 1 3.24 0.03 . 1 . . . . . . . . 5709 1 266 . 1 1 39 39 CYS HB3 H 1 2.83 0.03 . 1 . . . . . . . . 5709 1 267 . 1 1 39 39 CYS CA C 13 62.37 0.05 . 1 . . . . . . . . 5709 1 268 . 1 1 39 39 CYS CB C 13 26.96 0.05 . 1 . . . . . . . . 5709 1 269 . 1 1 39 39 CYS C C 13 176.53 0.05 . 1 . . . . . . . . 5709 1 270 . 1 1 40 40 ASN N N 15 119.97 0.05 . 1 . . . . . . . . 5709 1 271 . 1 1 40 40 ASN H H 1 8.67 0.03 . 1 . . . . . . . . 5709 1 272 . 1 1 40 40 ASN HA H 1 4.10 0.03 . 1 . . . . . . . . 5709 1 273 . 1 1 40 40 ASN CA C 13 55.08 0.05 . 1 . . . . . . . . 5709 1 274 . 1 1 40 40 ASN CB C 13 35.02 0.05 . 1 . . . . . . . . 5709 1 275 . 1 1 40 40 ASN C C 13 177.01 0.05 . 1 . . . . . . . . 5709 1 276 . 1 1 41 41 ARG N N 15 122.39 0.05 . 1 . . . . . . . . 5709 1 277 . 1 1 41 41 ARG H H 1 7.82 0.03 . 1 . . . . . . . . 5709 1 278 . 1 1 41 41 ARG HA H 1 3.66 0.03 . 1 . . . . . . . . 5709 1 279 . 1 1 41 41 ARG HB2 H 1 2.74 0.03 . 1 . . . . . . . . 5709 1 280 . 1 1 41 41 ARG CA C 13 61.08 0.05 . 1 . . . . . . . . 5709 1 281 . 1 1 41 41 ARG CB C 13 28.74 0.05 . 1 . . . . . . . . 5709 1 282 . 1 1 41 41 ARG C C 13 177.12 0.05 . 1 . . . . . . . . 5709 1 283 . 1 1 42 42 ALA N N 15 120.83 0.05 . 1 . . . . . . . . 5709 1 284 . 1 1 42 42 ALA H H 1 8.51 0.03 . 1 . . . . . . . . 5709 1 285 . 1 1 42 42 ALA HA H 1 4.13 0.03 . 1 . . . . . . . . 5709 1 286 . 1 1 42 42 ALA HB1 H 1 1.71 0.03 . 1 . . . . . . . . 5709 1 287 . 1 1 42 42 ALA HB2 H 1 1.71 0.03 . 1 . . . . . . . . 5709 1 288 . 1 1 42 42 ALA HB3 H 1 1.71 0.03 . 1 . . . . . . . . 5709 1 289 . 1 1 42 42 ALA CA C 13 55.53 0.05 . 1 . . . . . . . . 5709 1 290 . 1 1 42 42 ALA CB C 13 19.33 0.05 . 1 . . . . . . . . 5709 1 291 . 1 1 42 42 ALA C C 13 180.00 0.05 . 1 . . . . . . . . 5709 1 292 . 1 1 43 43 ALA N N 15 120.98 0.05 . 1 . . . . . . . . 5709 1 293 . 1 1 43 43 ALA H H 1 7.73 0.03 . 1 . . . . . . . . 5709 1 294 . 1 1 43 43 ALA HA H 1 3.94 0.03 . 1 . . . . . . . . 5709 1 295 . 1 1 43 43 ALA HB1 H 1 1.50 0.03 . 1 . . . . . . . . 5709 1 296 . 1 1 43 43 ALA HB2 H 1 1.50 0.03 . 1 . . . . . . . . 5709 1 297 . 1 1 43 43 ALA HB3 H 1 1.50 0.03 . 1 . . . . . . . . 5709 1 298 . 1 1 43 43 ALA CA C 13 54.97 0.05 . 1 . . . . . . . . 5709 1 299 . 1 1 43 43 ALA CB C 13 17.42 0.05 . 1 . . . . . . . . 5709 1 300 . 1 1 43 43 ALA C C 13 179.65 0.05 . 1 . . . . . . . . 5709 1 301 . 1 1 44 44 ALA N N 15 122.54 0.05 . 1 . . . . . . . . 5709 1 302 . 1 1 44 44 ALA H H 1 7.52 0.03 . 1 . . . . . . . . 5709 1 303 . 1 1 44 44 ALA HA H 1 3.81 0.03 . 1 . . . . . . . . 5709 1 304 . 1 1 44 44 ALA HB1 H 1 1.72 0.03 . 1 . . . . . . . . 5709 1 305 . 1 1 44 44 ALA HB2 H 1 1.72 0.03 . 1 . . . . . . . . 5709 1 306 . 1 1 44 44 ALA HB3 H 1 1.72 0.03 . 1 . . . . . . . . 5709 1 307 . 1 1 44 44 ALA CA C 13 55.53 0.05 . 1 . . . . . . . . 5709 1 308 . 1 1 44 44 ALA CB C 13 18.77 0.05 . 1 . . . . . . . . 5709 1 309 . 1 1 44 44 ALA C C 13 178.71 0.05 . 1 . . . . . . . . 5709 1 310 . 1 1 45 45 TYR N N 15 116.59 0.05 . 1 . . . . . . . . 5709 1 311 . 1 1 45 45 TYR H H 1 9.08 0.03 . 1 . . . . . . . . 5709 1 312 . 1 1 45 45 TYR HA H 1 4.38 0.03 . 1 . . . . . . . . 5709 1 313 . 1 1 45 45 TYR HB2 H 1 3.53 0.03 . 1 . . . . . . . . 5709 1 314 . 1 1 45 45 TYR HB3 H 1 2.86 0.03 . 1 . . . . . . . . 5709 1 315 . 1 1 45 45 TYR CA C 13 58.33 0.05 . 1 . . . . . . . . 5709 1 316 . 1 1 45 45 TYR CB C 13 36.36 0.05 . 1 . . . . . . . . 5709 1 317 . 1 1 45 45 TYR C C 13 179.67 0.05 . 1 . . . . . . . . 5709 1 318 . 1 1 46 46 SER N N 15 115.90 0.05 . 1 . . . . . . . . 5709 1 319 . 1 1 46 46 SER H H 1 8.38 0.03 . 1 . . . . . . . . 5709 1 320 . 1 1 46 46 SER HA H 1 3.91 0.03 . 1 . . . . . . . . 5709 1 321 . 1 1 46 46 SER CA C 13 57.96 0.05 . 1 . . . . . . . . 5709 1 322 . 1 1 46 46 SER CB C 13 62.12 0.05 . 1 . . . . . . . . 5709 1 323 . 1 1 46 46 SER C C 13 176.78 0.05 . 1 . . . . . . . . 5709 1 324 . 1 1 47 47 LYS N N 15 121.79 0.05 . 1 . . . . . . . . 5709 1 325 . 1 1 47 47 LYS H H 1 7.28 0.03 . 1 . . . . . . . . 5709 1 326 . 1 1 47 47 LYS HA H 1 3.73 0.03 . 1 . . . . . . . . 5709 1 327 . 1 1 47 47 LYS CA C 13 56.55 0.05 . 1 . . . . . . . . 5709 1 328 . 1 1 47 47 LYS CB C 13 29.67 0.05 . 1 . . . . . . . . 5709 1 329 . 1 1 47 47 LYS C C 13 178.02 0.05 . 1 . . . . . . . . 5709 1 330 . 1 1 48 48 LEU N N 15 117.40 0.05 . 1 . . . . . . . . 5709 1 331 . 1 1 48 48 LEU H H 1 7.15 0.03 . 1 . . . . . . . . 5709 1 332 . 1 1 48 48 LEU HA H 1 4.24 0.03 . 1 . . . . . . . . 5709 1 333 . 1 1 48 48 LEU HB2 H 1 1.82 0.03 . 1 . . . . . . . . 5709 1 334 . 1 1 48 48 LEU CA C 13 54.74 0.05 . 1 . . . . . . . . 5709 1 335 . 1 1 48 48 LEU CB C 13 42.86 0.05 . 1 . . . . . . . . 5709 1 336 . 1 1 48 48 LEU C C 13 176.80 0.05 . 1 . . . . . . . . 5709 1 337 . 1 1 49 49 GLY N N 15 107.70 0.05 . 1 . . . . . . . . 5709 1 338 . 1 1 49 49 GLY H H 1 7.50 0.03 . 1 . . . . . . . . 5709 1 339 . 1 1 49 49 GLY HA2 H 1 3.94 0.03 . 1 . . . . . . . . 5709 1 340 . 1 1 49 49 GLY HA3 H 1 2.95 0.03 . 1 . . . . . . . . 5709 1 341 . 1 1 49 49 GLY CA C 13 44.37 0.05 . 1 . . . . . . . . 5709 1 342 . 1 1 49 49 GLY C C 13 172.90 0.05 . 1 . . . . . . . . 5709 1 343 . 1 1 50 50 ASN N N 15 119.50 0.05 . 1 . . . . . . . . 5709 1 344 . 1 1 50 50 ASN H H 1 7.97 0.03 . 1 . . . . . . . . 5709 1 345 . 1 1 50 50 ASN HA H 1 4.74 0.03 . 1 . . . . . . . . 5709 1 346 . 1 1 50 50 ASN HB2 H 1 2.51 0.03 . 1 . . . . . . . . 5709 1 347 . 1 1 50 50 ASN CA C 13 49.14 0.05 . 1 . . . . . . . . 5709 1 348 . 1 1 50 50 ASN C C 13 175.19 0.05 . 1 . . . . . . . . 5709 1 349 . 1 1 51 51 TYR N N 15 121.90 0.05 . 1 . . . . . . . . 5709 1 350 . 1 1 51 51 TYR H H 1 7.05 0.03 . 1 . . . . . . . . 5709 1 351 . 1 1 51 51 TYR HA H 1 3.99 0.03 . 1 . . . . . . . . 5709 1 352 . 1 1 51 51 TYR HB2 H 1 3.09 0.03 . 1 . . . . . . . . 5709 1 353 . 1 1 51 51 TYR HB3 H 1 2.56 0.03 . 1 . . . . . . . . 5709 1 354 . 1 1 51 51 TYR CA C 13 60.23 0.05 . 1 . . . . . . . . 5709 1 355 . 1 1 51 51 TYR CB C 13 37.03 0.05 . 1 . . . . . . . . 5709 1 356 . 1 1 51 51 TYR C C 13 177.28 0.05 . 1 . . . . . . . . 5709 1 357 . 1 1 52 52 ALA N N 15 121.37 0.05 . 1 . . . . . . . . 5709 1 358 . 1 1 52 52 ALA H H 1 8.83 0.03 . 1 . . . . . . . . 5709 1 359 . 1 1 52 52 ALA HA H 1 3.93 0.03 . 1 . . . . . . . . 5709 1 360 . 1 1 52 52 ALA HB1 H 1 1.31 0.03 . 1 . . . . . . . . 5709 1 361 . 1 1 52 52 ALA HB2 H 1 1.31 0.03 . 1 . . . . . . . . 5709 1 362 . 1 1 52 52 ALA HB3 H 1 1.31 0.03 . 1 . . . . . . . . 5709 1 363 . 1 1 52 52 ALA CA C 13 54.85 0.05 . 1 . . . . . . . . 5709 1 364 . 1 1 52 52 ALA CB C 13 17.31 0.05 . 1 . . . . . . . . 5709 1 365 . 1 1 52 52 ALA C C 13 180.39 0.05 . 1 . . . . . . . . 5709 1 366 . 1 1 53 53 GLY N N 15 106.76 0.05 . 1 . . . . . . . . 5709 1 367 . 1 1 53 53 GLY H H 1 7.34 0.03 . 1 . . . . . . . . 5709 1 368 . 1 1 53 53 GLY HA2 H 1 3.46 0.03 . 1 . . . . . . . . 5709 1 369 . 1 1 53 53 GLY HA3 H 1 2.61 0.03 . 1 . . . . . . . . 5709 1 370 . 1 1 53 53 GLY CA C 13 46.51 0.05 . 1 . . . . . . . . 5709 1 371 . 1 1 53 53 GLY C C 13 175.54 0.05 . 1 . . . . . . . . 5709 1 372 . 1 1 54 54 ALA N N 15 123.79 0.05 . 1 . . . . . . . . 5709 1 373 . 1 1 54 54 ALA H H 1 7.50 0.03 . 1 . . . . . . . . 5709 1 374 . 1 1 54 54 ALA HA H 1 4.18 0.03 . 1 . . . . . . . . 5709 1 375 . 1 1 54 54 ALA HB1 H 1 1.56 0.03 . 1 . . . . . . . . 5709 1 376 . 1 1 54 54 ALA HB2 H 1 1.56 0.03 . 1 . . . . . . . . 5709 1 377 . 1 1 54 54 ALA HB3 H 1 1.56 0.03 . 1 . . . . . . . . 5709 1 378 . 1 1 54 54 ALA CA C 13 55.41 0.05 . 1 . . . . . . . . 5709 1 379 . 1 1 54 54 ALA CB C 13 18.09 0.05 . 1 . . . . . . . . 5709 1 380 . 1 1 54 54 ALA C C 13 178.78 0.05 . 1 . . . . . . . . 5709 1 381 . 1 1 55 55 VAL N N 15 119.27 0.05 . 1 . . . . . . . . 5709 1 382 . 1 1 55 55 VAL H H 1 8.33 0.03 . 1 . . . . . . . . 5709 1 383 . 1 1 55 55 VAL HA H 1 3.45 0.03 . 1 . . . . . . . . 5709 1 384 . 1 1 55 55 VAL HB H 1 2.07 0.03 . 1 . . . . . . . . 5709 1 385 . 1 1 55 55 VAL CA C 13 66.17 0.05 . 1 . . . . . . . . 5709 1 386 . 1 1 55 55 VAL CB C 13 31.40 0.05 . 1 . . . . . . . . 5709 1 387 . 1 1 55 55 VAL C C 13 177.36 0.05 . 1 . . . . . . . . 5709 1 388 . 1 1 56 56 GLN N N 15 117.15 0.05 . 1 . . . . . . . . 5709 1 389 . 1 1 56 56 GLN H H 1 7.38 0.03 . 1 . . . . . . . . 5709 1 390 . 1 1 56 56 GLN HA H 1 3.93 0.03 . 1 . . . . . . . . 5709 1 391 . 1 1 56 56 GLN HB2 H 1 2.06 0.03 . 1 . . . . . . . . 5709 1 392 . 1 1 56 56 GLN CA C 13 58.51 0.05 . 1 . . . . . . . . 5709 1 393 . 1 1 56 56 GLN CB C 13 28.29 0.05 . 1 . . . . . . . . 5709 1 394 . 1 1 56 56 GLN C C 13 178.91 0.05 . 1 . . . . . . . . 5709 1 395 . 1 1 57 57 ASP N N 15 121.30 0.05 . 1 . . . . . . . . 5709 1 396 . 1 1 57 57 ASP H H 1 7.90 0.03 . 1 . . . . . . . . 5709 1 397 . 1 1 57 57 ASP HA H 1 4.63 0.03 . 1 . . . . . . . . 5709 1 398 . 1 1 57 57 ASP HB2 H 1 3.20 0.03 . 1 . . . . . . . . 5709 1 399 . 1 1 57 57 ASP CA C 13 57.43 0.05 . 1 . . . . . . . . 5709 1 400 . 1 1 57 57 ASP CB C 13 40.19 0.05 . 1 . . . . . . . . 5709 1 401 . 1 1 57 57 ASP C C 13 179.21 0.05 . 1 . . . . . . . . 5709 1 402 . 1 1 58 58 CYS N N 15 119.42 0.05 . 1 . . . . . . . . 5709 1 403 . 1 1 58 58 CYS H H 1 8.50 0.03 . 1 . . . . . . . . 5709 1 404 . 1 1 58 58 CYS HA H 1 3.85 0.03 . 1 . . . . . . . . 5709 1 405 . 1 1 58 58 CYS HB2 H 1 2.38 0.03 . 1 . . . . . . . . 5709 1 406 . 1 1 58 58 CYS CA C 13 65.16 0.05 . 1 . . . . . . . . 5709 1 407 . 1 1 58 58 CYS CB C 13 26.90 0.05 . 1 . . . . . . . . 5709 1 408 . 1 1 58 58 CYS C C 13 176.14 0.05 . 1 . . . . . . . . 5709 1 409 . 1 1 59 59 GLU N N 15 119.97 0.05 . 1 . . . . . . . . 5709 1 410 . 1 1 59 59 GLU H H 1 8.39 0.03 . 1 . . . . . . . . 5709 1 411 . 1 1 59 59 GLU HA H 1 3.61 0.03 . 1 . . . . . . . . 5709 1 412 . 1 1 59 59 GLU HB2 H 1 1.97 0.03 . 1 . . . . . . . . 5709 1 413 . 1 1 59 59 GLU CA C 13 59.23 0.05 . 1 . . . . . . . . 5709 1 414 . 1 1 59 59 GLU CB C 13 29.08 0.05 . 1 . . . . . . . . 5709 1 415 . 1 1 59 59 GLU C C 13 178.91 0.05 . 1 . . . . . . . . 5709 1 416 . 1 1 60 60 ARG N N 15 118.87 0.05 . 1 . . . . . . . . 5709 1 417 . 1 1 60 60 ARG H H 1 7.32 0.03 . 1 . . . . . . . . 5709 1 418 . 1 1 60 60 ARG HA H 1 3.62 0.03 . 1 . . . . . . . . 5709 1 419 . 1 1 60 60 ARG HB2 H 1 1.33 0.03 . 1 . . . . . . . . 5709 1 420 . 1 1 60 60 ARG CA C 13 58.10 0.05 . 1 . . . . . . . . 5709 1 421 . 1 1 60 60 ARG CB C 13 28.29 0.05 . 1 . . . . . . . . 5709 1 422 . 1 1 60 60 ARG C C 13 177.89 0.05 . 1 . . . . . . . . 5709 1 423 . 1 1 61 61 ALA N N 15 120.44 0.05 . 1 . . . . . . . . 5709 1 424 . 1 1 61 61 ALA H H 1 7.98 0.03 . 1 . . . . . . . . 5709 1 425 . 1 1 61 61 ALA HA H 1 3.69 0.03 . 1 . . . . . . . . 5709 1 426 . 1 1 61 61 ALA HB1 H 1 1.52 0.03 . 1 . . . . . . . . 5709 1 427 . 1 1 61 61 ALA HB2 H 1 1.52 0.03 . 1 . . . . . . . . 5709 1 428 . 1 1 61 61 ALA HB3 H 1 1.52 0.03 . 1 . . . . . . . . 5709 1 429 . 1 1 61 61 ALA CA C 13 55.53 0.05 . 1 . . . . . . . . 5709 1 430 . 1 1 61 61 ALA CB C 13 18.88 0.05 . 1 . . . . . . . . 5709 1 431 . 1 1 61 61 ALA C C 13 177.65 0.05 . 1 . . . . . . . . 5709 1 432 . 1 1 62 62 ILE N N 15 116.69 0.05 . 1 . . . . . . . . 5709 1 433 . 1 1 62 62 ILE H H 1 7.87 0.03 . 1 . . . . . . . . 5709 1 434 . 1 1 62 62 ILE HA H 1 3.40 0.03 . 1 . . . . . . . . 5709 1 435 . 1 1 62 62 ILE HB H 1 1.50 0.03 . 1 . . . . . . . . 5709 1 436 . 1 1 62 62 ILE CA C 13 63.82 0.05 . 1 . . . . . . . . 5709 1 437 . 1 1 62 62 ILE CB C 13 38.00 0.05 . 1 . . . . . . . . 5709 1 438 . 1 1 62 62 ILE C C 13 176.82 0.05 . 1 . . . . . . . . 5709 1 439 . 1 1 63 63 CYS N N 15 116.92 0.05 . 1 . . . . . . . . 5709 1 440 . 1 1 63 63 CYS H H 1 7.36 0.03 . 1 . . . . . . . . 5709 1 441 . 1 1 63 63 CYS HA H 1 3.95 0.03 . 1 . . . . . . . . 5709 1 442 . 1 1 63 63 CYS HB2 H 1 2.84 0.03 . 1 . . . . . . . . 5709 1 443 . 1 1 63 63 CYS CA C 13 62.14 0.05 . 1 . . . . . . . . 5709 1 444 . 1 1 63 63 CYS CB C 13 26.16 0.05 . 1 . . . . . . . . 5709 1 445 . 1 1 63 63 CYS C C 13 176.62 0.05 . 1 . . . . . . . . 5709 1 446 . 1 1 64 64 ILE N N 15 119.11 0.05 . 1 . . . . . . . . 5709 1 447 . 1 1 64 64 ILE H H 1 7.56 0.03 . 1 . . . . . . . . 5709 1 448 . 1 1 64 64 ILE HA H 1 3.59 0.03 . 1 . . . . . . . . 5709 1 449 . 1 1 64 64 ILE HB H 1 1.63 0.03 . 1 . . . . . . . . 5709 1 450 . 1 1 64 64 ILE CA C 13 63.71 0.05 . 1 . . . . . . . . 5709 1 451 . 1 1 64 64 ILE CB C 13 38.46 0.05 . 1 . . . . . . . . 5709 1 452 . 1 1 64 64 ILE C C 13 176.17 0.05 . 1 . . . . . . . . 5709 1 453 . 1 1 65 65 ASP N N 15 115.98 0.05 . 1 . . . . . . . . 5709 1 454 . 1 1 65 65 ASP H H 1 8.40 0.03 . 1 . . . . . . . . 5709 1 455 . 1 1 65 65 ASP CA C 13 50.10 0.05 . 1 . . . . . . . . 5709 1 456 . 1 1 65 65 ASP CB C 13 42.00 0.05 . 1 . . . . . . . . 5709 1 457 . 1 1 65 65 ASP C C 13 172.70 0.05 . 1 . . . . . . . . 5709 1 458 . 1 1 66 66 PRO HA H 1 4.72 0.03 . 1 . . . . . . . . 5709 1 459 . 1 1 66 66 PRO HB2 H 1 2.42 0.03 . 1 . . . . . . . . 5709 1 460 . 1 1 66 66 PRO HB3 H 1 1.99 0.03 . 1 . . . . . . . . 5709 1 461 . 1 1 66 66 PRO CA C 13 62.70 0.05 . 1 . . . . . . . . 5709 1 462 . 1 1 66 66 PRO CB C 13 31.99 0.05 . 1 . . . . . . . . 5709 1 463 . 1 1 66 66 PRO C C 13 177.86 0.05 . 1 . . . . . . . . 5709 1 464 . 1 1 67 67 ALA N N 15 123.25 0.05 . 1 . . . . . . . . 5709 1 465 . 1 1 67 67 ALA H H 1 8.25 0.03 . 1 . . . . . . . . 5709 1 466 . 1 1 67 67 ALA HA H 1 4.62 0.03 . 1 . . . . . . . . 5709 1 467 . 1 1 67 67 ALA HB1 H 1 1.49 0.03 . 1 . . . . . . . . 5709 1 468 . 1 1 67 67 ALA HB2 H 1 1.49 0.03 . 1 . . . . . . . . 5709 1 469 . 1 1 67 67 ALA HB3 H 1 1.49 0.03 . 1 . . . . . . . . 5709 1 470 . 1 1 67 67 ALA CA C 13 51.04 0.05 . 1 . . . . . . . . 5709 1 471 . 1 1 67 67 ALA CB C 13 18.32 0.05 . 1 . . . . . . . . 5709 1 472 . 1 1 67 67 ALA C C 13 176.15 0.05 . 1 . . . . . . . . 5709 1 473 . 1 1 68 68 TYR N N 15 122.23 0.05 . 1 . . . . . . . . 5709 1 474 . 1 1 68 68 TYR H H 1 7.69 0.03 . 1 . . . . . . . . 5709 1 475 . 1 1 68 68 TYR HA H 1 4.85 0.03 . 1 . . . . . . . . 5709 1 476 . 1 1 68 68 TYR CA C 13 55.53 0.05 . 1 . . . . . . . . 5709 1 477 . 1 1 68 68 TYR CB C 13 36.03 0.05 . 1 . . . . . . . . 5709 1 478 . 1 1 68 68 TYR C C 13 175.71 0.05 . 1 . . . . . . . . 5709 1 479 . 1 1 69 69 SER N N 15 125.66 0.05 . 1 . . . . . . . . 5709 1 480 . 1 1 69 69 SER H H 1 8.53 0.03 . 1 . . . . . . . . 5709 1 481 . 1 1 69 69 SER HA H 1 4.05 0.03 . 1 . . . . . . . . 5709 1 482 . 1 1 69 69 SER CA C 13 61.69 0.05 . 1 . . . . . . . . 5709 1 483 . 1 1 69 69 SER CB C 13 63.35 0.05 . 1 . . . . . . . . 5709 1 484 . 1 1 69 69 SER C C 13 175.66 0.05 . 1 . . . . . . . . 5709 1 485 . 1 1 70 70 LYS N N 15 119.42 0.05 . 1 . . . . . . . . 5709 1 486 . 1 1 70 70 LYS H H 1 7.39 0.03 . 1 . . . . . . . . 5709 1 487 . 1 1 70 70 LYS HA H 1 4.10 0.03 . 1 . . . . . . . . 5709 1 488 . 1 1 70 70 LYS HB2 H 1 1.44 0.03 . 1 . . . . . . . . 5709 1 489 . 1 1 70 70 LYS CA C 13 58.33 0.05 . 1 . . . . . . . . 5709 1 490 . 1 1 70 70 LYS CB C 13 32.33 0.05 . 1 . . . . . . . . 5709 1 491 . 1 1 70 70 LYS C C 13 177.97 0.05 . 1 . . . . . . . . 5709 1 492 . 1 1 71 71 ALA N N 15 118.87 0.05 . 1 . . . . . . . . 5709 1 493 . 1 1 71 71 ALA H H 1 7.02 0.03 . 1 . . . . . . . . 5709 1 494 . 1 1 71 71 ALA HA H 1 4.02 0.03 . 1 . . . . . . . . 5709 1 495 . 1 1 71 71 ALA HB1 H 1 1.21 0.03 . 1 . . . . . . . . 5709 1 496 . 1 1 71 71 ALA HB2 H 1 1.21 0.03 . 1 . . . . . . . . 5709 1 497 . 1 1 71 71 ALA HB3 H 1 1.21 0.03 . 1 . . . . . . . . 5709 1 498 . 1 1 71 71 ALA CA C 13 54.85 0.05 . 1 . . . . . . . . 5709 1 499 . 1 1 71 71 ALA CB C 13 18.88 0.05 . 1 . . . . . . . . 5709 1 500 . 1 1 71 71 ALA C C 13 178.58 0.05 . 1 . . . . . . . . 5709 1 501 . 1 1 72 72 TYR N N 15 115.90 0.05 . 1 . . . . . . . . 5709 1 502 . 1 1 72 72 TYR H H 1 7.07 0.03 . 1 . . . . . . . . 5709 1 503 . 1 1 72 72 TYR HA H 1 3.73 0.03 . 1 . . . . . . . . 5709 1 504 . 1 1 72 72 TYR CA C 13 61.58 0.05 . 1 . . . . . . . . 5709 1 505 . 1 1 72 72 TYR CB C 13 37.15 0.05 . 1 . . . . . . . . 5709 1 506 . 1 1 72 72 TYR C C 13 177.76 0.05 . 1 . . . . . . . . 5709 1 507 . 1 1 73 73 GLY N N 15 105.24 0.05 . 1 . . . . . . . . 5709 1 508 . 1 1 73 73 GLY H H 1 7.79 0.03 . 1 . . . . . . . . 5709 1 509 . 1 1 73 73 GLY HA2 H 1 3.89 0.03 . 1 . . . . . . . . 5709 1 510 . 1 1 73 73 GLY HA3 H 1 2.64 0.03 . 1 . . . . . . . . 5709 1 511 . 1 1 73 73 GLY CA C 13 47.18 0.05 . 1 . . . . . . . . 5709 1 512 . 1 1 73 73 GLY C C 13 175.19 0.05 . 1 . . . . . . . . 5709 1 513 . 1 1 74 74 ARG N N 15 121.12 0.05 . 1 . . . . . . . . 5709 1 514 . 1 1 74 74 ARG H H 1 8.24 0.05 . 1 . . . . . . . . 5709 1 515 . 1 1 74 74 ARG HA H 1 3.97 0.03 . 1 . . . . . . . . 5709 1 516 . 1 1 74 74 ARG CA C 13 57.33 0.05 . 1 . . . . . . . . 5709 1 517 . 1 1 74 74 ARG CB C 13 28.00 0.05 . 1 . . . . . . . . 5709 1 518 . 1 1 74 74 ARG C C 13 177.47 0.05 . 1 . . . . . . . . 5709 1 519 . 1 1 75 75 MET N N 15 122.36 0.05 . 1 . . . . . . . . 5709 1 520 . 1 1 75 75 MET H H 1 7.80 0.03 . 1 . . . . . . . . 5709 1 521 . 1 1 75 75 MET HA H 1 3.74 0.03 . 1 . . . . . . . . 5709 1 522 . 1 1 75 75 MET CA C 13 57.99 0.05 . 1 . . . . . . . . 5709 1 523 . 1 1 75 75 MET CB C 13 31.88 0.05 . 1 . . . . . . . . 5709 1 524 . 1 1 75 75 MET C C 13 177.65 0.05 . 1 . . . . . . . . 5709 1 525 . 1 1 76 76 GLY N N 15 105.35 0.05 . 1 . . . . . . . . 5709 1 526 . 1 1 76 76 GLY H H 1 7.81 0.03 . 1 . . . . . . . . 5709 1 527 . 1 1 76 76 GLY HA2 H 1 3.03 0.03 . 1 . . . . . . . . 5709 1 528 . 1 1 76 76 GLY HA3 H 1 2.40 0.03 . 1 . . . . . . . . 5709 1 529 . 1 1 76 76 GLY CA C 13 47.18 0.05 . 1 . . . . . . . . 5709 1 530 . 1 1 76 76 GLY C C 13 174.06 0.05 . 1 . . . . . . . . 5709 1 531 . 1 1 77 77 LEU N N 15 122.39 0.05 . 1 . . . . . . . . 5709 1 532 . 1 1 77 77 LEU H H 1 7.50 0.03 . 1 . . . . . . . . 5709 1 533 . 1 1 77 77 LEU HA H 1 4.19 0.03 . 1 . . . . . . . . 5709 1 534 . 1 1 77 77 LEU HB2 H 1 1.60 0.03 . 1 . . . . . . . . 5709 1 535 . 1 1 77 77 LEU CA C 13 57.54 0.05 . 1 . . . . . . . . 5709 1 536 . 1 1 77 77 LEU CB C 13 42.19 0.05 . 1 . . . . . . . . 5709 1 537 . 1 1 77 77 LEU C C 13 179.97 0.05 . 1 . . . . . . . . 5709 1 538 . 1 1 78 78 ALA N N 15 124.26 0.05 . 1 . . . . . . . . 5709 1 539 . 1 1 78 78 ALA H H 1 8.09 0.03 . 1 . . . . . . . . 5709 1 540 . 1 1 78 78 ALA HA H 1 3.79 0.03 . 1 . . . . . . . . 5709 1 541 . 1 1 78 78 ALA HB1 H 1 1.38 0.03 . 1 . . . . . . . . 5709 1 542 . 1 1 78 78 ALA HB2 H 1 1.38 0.03 . 1 . . . . . . . . 5709 1 543 . 1 1 78 78 ALA HB3 H 1 1.38 0.03 . 1 . . . . . . . . 5709 1 544 . 1 1 78 78 ALA CA C 13 54.90 0.05 . 1 . . . . . . . . 5709 1 545 . 1 1 78 78 ALA CB C 13 18.09 0.05 . 1 . . . . . . . . 5709 1 546 . 1 1 78 78 ALA C C 13 178.52 0.05 . 1 . . . . . . . . 5709 1 547 . 1 1 79 79 LEU N N 15 116.98 0.05 . 1 . . . . . . . . 5709 1 548 . 1 1 79 79 LEU H H 1 8.41 0.03 . 1 . . . . . . . . 5709 1 549 . 1 1 79 79 LEU HA H 1 3.72 0.03 . 1 . . . . . . . . 5709 1 550 . 1 1 79 79 LEU CA C 13 57.32 0.05 . 1 . . . . . . . . 5709 1 551 . 1 1 79 79 LEU CB C 13 40.62 0.05 . 1 . . . . . . . . 5709 1 552 . 1 1 79 79 LEU C C 13 180.08 0.05 . 1 . . . . . . . . 5709 1 553 . 1 1 80 80 SER N N 15 117.86 0.05 . 1 . . . . . . . . 5709 1 554 . 1 1 80 80 SER H H 1 8.65 0.03 . 1 . . . . . . . . 5709 1 555 . 1 1 80 80 SER HA H 1 3.97 0.03 . 1 . . . . . . . . 5709 1 556 . 1 1 80 80 SER CA C 13 62.92 0.05 . 1 . . . . . . . . 5709 1 557 . 1 1 80 80 SER CB C 13 61.61 0.05 . 1 . . . . . . . . 5709 1 558 . 1 1 80 80 SER C C 13 177.91 0.05 . 1 . . . . . . . . 5709 1 559 . 1 1 81 81 SER N N 15 120.20 0.05 . 1 . . . . . . . . 5709 1 560 . 1 1 81 81 SER H H 1 7.69 0.03 . 1 . . . . . . . . 5709 1 561 . 1 1 81 81 SER HA H 1 4.80 0.03 . 1 . . . . . . . . 5709 1 562 . 1 1 81 81 SER HB2 H 1 3.89 0.03 . 1 . . . . . . . . 5709 1 563 . 1 1 81 81 SER CA C 13 60.92 0.05 . 1 . . . . . . . . 5709 1 564 . 1 1 81 81 SER C C 13 174.21 0.05 . 1 . . . . . . . . 5709 1 565 . 1 1 82 82 LEU N N 15 120.59 0.05 . 1 . . . . . . . . 5709 1 566 . 1 1 82 82 LEU H H 1 7.03 0.03 . 1 . . . . . . . . 5709 1 567 . 1 1 82 82 LEU HA H 1 4.12 0.03 . 1 . . . . . . . . 5709 1 568 . 1 1 82 82 LEU HB2 H 1 1.60 0.03 . 1 . . . . . . . . 5709 1 569 . 1 1 82 82 LEU CA C 13 54.18 0.05 . 1 . . . . . . . . 5709 1 570 . 1 1 82 82 LEU CB C 13 42.41 0.05 . 1 . . . . . . . . 5709 1 571 . 1 1 82 82 LEU C C 13 175.08 0.05 . 1 . . . . . . . . 5709 1 572 . 1 1 83 83 ASN N N 15 113.87 0.05 . 1 . . . . . . . . 5709 1 573 . 1 1 83 83 ASN H H 1 7.79 0.03 . 1 . . . . . . . . 5709 1 574 . 1 1 83 83 ASN HA H 1 3.70 0.03 . 1 . . . . . . . . 5709 1 575 . 1 1 83 83 ASN HB2 H 1 2.96 0.03 . 1 . . . . . . . . 5709 1 576 . 1 1 83 83 ASN CA C 13 54.14 0.05 . 1 . . . . . . . . 5709 1 577 . 1 1 83 83 ASN CB C 13 36.40 0.05 . 1 . . . . . . . . 5709 1 578 . 1 1 83 83 ASN C C 13 174.05 0.05 . 1 . . . . . . . . 5709 1 579 . 1 1 84 84 LYS N N 15 121.60 0.05 . 1 . . . . . . . . 5709 1 580 . 1 1 84 84 LYS H H 1 7.90 0.03 . 1 . . . . . . . . 5709 1 581 . 1 1 84 84 LYS HA H 1 4.48 0.03 . 1 . . . . . . . . 5709 1 582 . 1 1 84 84 LYS HB2 H 1 1.82 0.03 . 1 . . . . . . . . 5709 1 583 . 1 1 84 84 LYS CA C 13 53.73 0.05 . 1 . . . . . . . . 5709 1 584 . 1 1 84 84 LYS CB C 13 29.73 0.05 . 1 . . . . . . . . 5709 1 585 . 1 1 84 84 LYS C C 13 176.10 0.05 . 1 . . . . . . . . 5709 1 586 . 1 1 85 85 HIS N N 15 118.10 0.05 . 1 . . . . . . . . 5709 1 587 . 1 1 85 85 HIS H H 1 6.85 0.03 . 1 . . . . . . . . 5709 1 588 . 1 1 85 85 HIS HA H 1 4.06 0.03 . 1 . . . . . . . . 5709 1 589 . 1 1 85 85 HIS HB2 H 1 2.98 0.03 . 1 . . . . . . . . 5709 1 590 . 1 1 85 85 HIS CA C 13 60.07 0.05 . 1 . . . . . . . . 5709 1 591 . 1 1 85 85 HIS CB C 13 30.87 0.05 . 1 . . . . . . . . 5709 1 592 . 1 1 85 85 HIS C C 13 177.45 0.05 . 1 . . . . . . . . 5709 1 593 . 1 1 86 86 VAL N N 15 119.07 0.05 . 1 . . . . . . . . 5709 1 594 . 1 1 86 86 VAL H H 1 8.28 0.03 . 1 . . . . . . . . 5709 1 595 . 1 1 86 86 VAL HA H 1 3.58 0.03 . 1 . . . . . . . . 5709 1 596 . 1 1 86 86 VAL HB H 1 2.01 0.03 . 1 . . . . . . . . 5709 1 597 . 1 1 86 86 VAL CA C 13 66.17 0.05 . 1 . . . . . . . . 5709 1 598 . 1 1 86 86 VAL CB C 13 30.98 0.05 . 1 . . . . . . . . 5709 1 599 . 1 1 86 86 VAL C C 13 178.39 0.05 . 1 . . . . . . . . 5709 1 600 . 1 1 87 87 GLU N N 15 121.37 0.05 . 1 . . . . . . . . 5709 1 601 . 1 1 87 87 GLU H H 1 8.72 0.03 . 1 . . . . . . . . 5709 1 602 . 1 1 87 87 GLU HA H 1 4.00 0.03 . 1 . . . . . . . . 5709 1 603 . 1 1 87 87 GLU HB2 H 1 1.32 0.03 . 1 . . . . . . . . 5709 1 604 . 1 1 87 87 GLU CA C 13 59.45 0.05 . 1 . . . . . . . . 5709 1 605 . 1 1 87 87 GLU CB C 13 29.19 0.05 . 1 . . . . . . . . 5709 1 606 . 1 1 87 87 GLU C C 13 178.30 0.05 . 1 . . . . . . . . 5709 1 607 . 1 1 88 88 ALA N N 15 120.75 0.05 . 1 . . . . . . . . 5709 1 608 . 1 1 88 88 ALA H H 1 8.27 0.03 . 1 . . . . . . . . 5709 1 609 . 1 1 88 88 ALA HA H 1 3.77 0.03 . 1 . . . . . . . . 5709 1 610 . 1 1 88 88 ALA HB1 H 1 1.47 0.03 . 1 . . . . . . . . 5709 1 611 . 1 1 88 88 ALA HB2 H 1 1.47 0.03 . 1 . . . . . . . . 5709 1 612 . 1 1 88 88 ALA HB3 H 1 1.47 0.03 . 1 . . . . . . . . 5709 1 613 . 1 1 88 88 ALA CA C 13 55.64 0.05 . 1 . . . . . . . . 5709 1 614 . 1 1 88 88 ALA CB C 13 18.00 0.05 . 1 . . . . . . . . 5709 1 615 . 1 1 88 88 ALA C C 13 178.87 0.05 . 1 . . . . . . . . 5709 1 616 . 1 1 89 89 VAL N N 15 115.18 0.05 . 1 . . . . . . . . 5709 1 617 . 1 1 89 89 VAL H H 1 7.85 0.03 . 1 . . . . . . . . 5709 1 618 . 1 1 89 89 VAL HA H 1 3.54 0.03 . 1 . . . . . . . . 5709 1 619 . 1 1 89 89 VAL HB H 1 2.19 0.03 . 1 . . . . . . . . 5709 1 620 . 1 1 89 89 VAL CA C 13 67.29 0.05 . 1 . . . . . . . . 5709 1 621 . 1 1 89 89 VAL CB C 13 31.34 0.05 . 1 . . . . . . . . 5709 1 622 . 1 1 89 89 VAL C C 13 176.58 0.05 . 1 . . . . . . . . 5709 1 623 . 1 1 90 90 ALA N N 15 119.43 0.05 . 1 . . . . . . . . 5709 1 624 . 1 1 90 90 ALA H H 1 7.23 0.03 . 1 . . . . . . . . 5709 1 625 . 1 1 90 90 ALA HA H 1 3.88 0.03 . 1 . . . . . . . . 5709 1 626 . 1 1 90 90 ALA HB1 H 1 1.28 0.03 . 1 . . . . . . . . 5709 1 627 . 1 1 90 90 ALA HB2 H 1 1.28 0.03 . 1 . . . . . . . . 5709 1 628 . 1 1 90 90 ALA HB3 H 1 1.28 0.03 . 1 . . . . . . . . 5709 1 629 . 1 1 90 90 ALA CA C 13 54.85 0.05 . 1 . . . . . . . . 5709 1 630 . 1 1 90 90 ALA CB C 13 17.65 0.05 . 1 . . . . . . . . 5709 1 631 . 1 1 90 90 ALA C C 13 180.83 0.05 . 1 . . . . . . . . 5709 1 632 . 1 1 91 91 TYR N N 15 117.07 0.05 . 1 . . . . . . . . 5709 1 633 . 1 1 91 91 TYR H H 1 7.57 0.03 . 1 . . . . . . . . 5709 1 634 . 1 1 91 91 TYR HA H 1 3.94 0.03 . 1 . . . . . . . . 5709 1 635 . 1 1 91 91 TYR CA C 13 63.60 0.05 . 1 . . . . . . . . 5709 1 636 . 1 1 91 91 TYR CB C 13 36.81 0.05 . 1 . . . . . . . . 5709 1 637 . 1 1 91 91 TYR C C 13 177.89 0.05 . 1 . . . . . . . . 5709 1 638 . 1 1 92 92 TYR N N 15 118.86 0.05 . 1 . . . . . . . . 5709 1 639 . 1 1 92 92 TYR H H 1 8.54 0.03 . 1 . . . . . . . . 5709 1 640 . 1 1 92 92 TYR HA H 1 4.13 0.03 . 1 . . . . . . . . 5709 1 641 . 1 1 92 92 TYR HB2 H 1 2.93 0.03 . 1 . . . . . . . . 5709 1 642 . 1 1 92 92 TYR CA C 13 60.79 0.05 . 1 . . . . . . . . 5709 1 643 . 1 1 92 92 TYR CB C 13 38.72 0.05 . 1 . . . . . . . . 5709 1 644 . 1 1 92 92 TYR C C 13 178.54 0.05 . 1 . . . . . . . . 5709 1 645 . 1 1 93 93 LYS N N 15 117.62 0.05 . 1 . . . . . . . . 5709 1 646 . 1 1 93 93 LYS H H 1 8.54 0.03 . 1 . . . . . . . . 5709 1 647 . 1 1 93 93 LYS HA H 1 3.82 0.03 . 1 . . . . . . . . 5709 1 648 . 1 1 93 93 LYS HB2 H 1 1.75 0.03 . 1 . . . . . . . . 5709 1 649 . 1 1 93 93 LYS CA C 13 60.32 0.05 . 1 . . . . . . . . 5709 1 650 . 1 1 93 93 LYS CB C 13 31.77 0.05 . 1 . . . . . . . . 5709 1 651 . 1 1 93 93 LYS C C 13 179.00 0.05 . 1 . . . . . . . . 5709 1 652 . 1 1 94 94 LYS N N 15 120.42 0.05 . 1 . . . . . . . . 5709 1 653 . 1 1 94 94 LYS H H 1 7.33 0.03 . 1 . . . . . . . . 5709 1 654 . 1 1 94 94 LYS HA H 1 3.81 0.03 . 1 . . . . . . . . 5709 1 655 . 1 1 94 94 LYS HB2 H 1 1.26 0.03 . 1 . . . . . . . . 5709 1 656 . 1 1 94 94 LYS CA C 13 57.54 0.05 . 1 . . . . . . . . 5709 1 657 . 1 1 94 94 LYS CB C 13 31.21 0.05 . 1 . . . . . . . . 5709 1 658 . 1 1 94 94 LYS C C 13 177.73 0.05 . 1 . . . . . . . . 5709 1 659 . 1 1 95 95 ALA N N 15 121.05 0.05 . 1 . . . . . . . . 5709 1 660 . 1 1 95 95 ALA H H 1 8.03 0.03 . 1 . . . . . . . . 5709 1 661 . 1 1 95 95 ALA HA H 1 3.55 0.03 . 1 . . . . . . . . 5709 1 662 . 1 1 95 95 ALA HB1 H 1 0.09 0.03 . 1 . . . . . . . . 5709 1 663 . 1 1 95 95 ALA HB2 H 1 0.09 0.03 . 1 . . . . . . . . 5709 1 664 . 1 1 95 95 ALA HB3 H 1 0.09 0.03 . 1 . . . . . . . . 5709 1 665 . 1 1 95 95 ALA CA C 13 54.97 0.05 . 1 . . . . . . . . 5709 1 666 . 1 1 95 95 ALA CB C 13 16.86 0.05 . 1 . . . . . . . . 5709 1 667 . 1 1 95 95 ALA C C 13 178.82 0.05 . 1 . . . . . . . . 5709 1 668 . 1 1 96 96 LEU N N 15 115.83 0.05 . 1 . . . . . . . . 5709 1 669 . 1 1 96 96 LEU H H 1 7.70 0.03 . 1 . . . . . . . . 5709 1 670 . 1 1 96 96 LEU HA H 1 4.14 0.03 . 1 . . . . . . . . 5709 1 671 . 1 1 96 96 LEU HB2 H 1 1.60 0.03 . 1 . . . . . . . . 5709 1 672 . 1 1 96 96 LEU CA C 13 55.86 0.05 . 1 . . . . . . . . 5709 1 673 . 1 1 96 96 LEU CB C 13 42.46 0.05 . 1 . . . . . . . . 5709 1 674 . 1 1 96 96 LEU C C 13 178.36 0.05 . 1 . . . . . . . . 5709 1 675 . 1 1 97 97 GLU N N 15 119.73 0.03 . 1 . . . . . . . . 5709 1 676 . 1 1 97 97 GLU H H 1 7.71 0.03 . 1 . . . . . . . . 5709 1 677 . 1 1 97 97 GLU HA H 1 3.85 0.03 . 1 . . . . . . . . 5709 1 678 . 1 1 97 97 GLU HB2 H 1 2.03 0.03 . 1 . . . . . . . . 5709 1 679 . 1 1 97 97 GLU CA C 13 58.78 0.05 . 1 . . . . . . . . 5709 1 680 . 1 1 97 97 GLU CB C 13 29.30 0.05 . 1 . . . . . . . . 5709 1 681 . 1 1 97 97 GLU C C 13 178.52 0.05 . 1 . . . . . . . . 5709 1 682 . 1 1 98 98 LEU N N 15 116.29 0.05 . 1 . . . . . . . . 5709 1 683 . 1 1 98 98 LEU H H 1 7.14 0.03 . 1 . . . . . . . . 5709 1 684 . 1 1 98 98 LEU HA H 1 4.20 0.03 . 1 . . . . . . . . 5709 1 685 . 1 1 98 98 LEU HB2 H 1 1.61 0.03 . 1 . . . . . . . . 5709 1 686 . 1 1 98 98 LEU CA C 13 55.75 0.05 . 1 . . . . . . . . 5709 1 687 . 1 1 98 98 LEU CB C 13 43.20 0.05 . 1 . . . . . . . . 5709 1 688 . 1 1 98 98 LEU C C 13 176.65 0.05 . 1 . . . . . . . . 5709 1 689 . 1 1 99 99 ASP N N 15 120.44 0.05 . 1 . . . . . . . . 5709 1 690 . 1 1 99 99 ASP H H 1 8.14 0.03 . 1 . . . . . . . . 5709 1 691 . 1 1 99 99 ASP HA H 1 5.02 0.03 . 1 . . . . . . . . 5709 1 692 . 1 1 99 99 ASP CA C 13 51.27 0.05 . 1 . . . . . . . . 5709 1 693 . 1 1 99 99 ASP CB C 13 40.73 0.05 . 1 . . . . . . . . 5709 1 694 . 1 1 99 99 ASP C C 13 177.17 0.05 . 1 . . . . . . . . 5709 1 695 . 1 1 100 100 PRO HA H 1 4.72 0.03 . 1 . . . . . . . . 5709 1 696 . 1 1 100 100 PRO HB2 H 1 2.28 0.03 . 1 . . . . . . . . 5709 1 697 . 1 1 100 100 PRO HB3 H 1 1.82 0.03 . 1 . . . . . . . . 5709 1 698 . 1 1 100 100 PRO CA C 13 64.58 0.05 . 1 . . . . . . . . 5709 1 699 . 1 1 100 100 PRO CB C 13 32.24 0.05 . 1 . . . . . . . . 5709 1 700 . 1 1 100 100 PRO C C 13 175.51 0.05 . 1 . . . . . . . . 5709 1 701 . 1 1 101 101 ASP N N 15 115.69 0.05 . 1 . . . . . . . . 5709 1 702 . 1 1 101 101 ASP H H 1 8.22 0.03 . 1 . . . . . . . . 5709 1 703 . 1 1 101 101 ASP HA H 1 4.60 0.03 . 1 . . . . . . . . 5709 1 704 . 1 1 101 101 ASP HB2 H 1 2.81 0.03 . 1 . . . . . . . . 5709 1 705 . 1 1 101 101 ASP HB3 H 1 2.48 0.03 . 1 . . . . . . . . 5709 1 706 . 1 1 101 101 ASP CA C 13 53.25 0.05 . 1 . . . . . . . . 5709 1 707 . 1 1 101 101 ASP CB C 13 40.55 0.05 . 1 . . . . . . . . 5709 1 708 . 1 1 101 101 ASP C C 13 175.45 0.05 . 1 . . . . . . . . 5709 1 709 . 1 1 102 102 ASN N N 15 119.46 0.05 . 1 . . . . . . . . 5709 1 710 . 1 1 102 102 ASN H H 1 7.19 0.03 . 1 . . . . . . . . 5709 1 711 . 1 1 102 102 ASN HA H 1 4.16 0.03 . 1 . . . . . . . . 5709 1 712 . 1 1 102 102 ASN HB2 H 1 2.65 0.03 . 1 . . . . . . . . 5709 1 713 . 1 1 102 102 ASN HB3 H 1 2.29 0.03 . 1 . . . . . . . . 5709 1 714 . 1 1 102 102 ASN CA C 13 54.07 0.05 . 1 . . . . . . . . 5709 1 715 . 1 1 102 102 ASN CB C 13 38.38 0.05 . 1 . . . . . . . . 5709 1 716 . 1 1 102 102 ASN C C 13 175.30 0.05 . 1 . . . . . . . . 5709 1 717 . 1 1 103 103 GLU N N 15 128.37 0.05 . 1 . . . . . . . . 5709 1 718 . 1 1 103 103 GLU H H 1 8.78 0.03 . 1 . . . . . . . . 5709 1 719 . 1 1 103 103 GLU HA H 1 3.79 0.03 . 1 . . . . . . . . 5709 1 720 . 1 1 103 103 GLU HB2 H 1 1.98 0.03 . 1 . . . . . . . . 5709 1 721 . 1 1 103 103 GLU CA C 13 58.66 0.05 . 1 . . . . . . . . 5709 1 722 . 1 1 103 103 GLU CB C 13 29.19 0.05 . 1 . . . . . . . . 5709 1 723 . 1 1 103 103 GLU C C 13 178.54 0.05 . 1 . . . . . . . . 5709 1 724 . 1 1 104 104 THR N N 15 118.33 0.05 . 1 . . . . . . . . 5709 1 725 . 1 1 104 104 THR H H 1 7.98 0.03 . 1 . . . . . . . . 5709 1 726 . 1 1 104 104 THR HA H 1 3.93 0.03 . 1 . . . . . . . . 5709 1 727 . 1 1 104 104 THR CA C 13 65.73 0.05 . 1 . . . . . . . . 5709 1 728 . 1 1 104 104 THR CB C 13 67.41 0.05 . 1 . . . . . . . . 5709 1 729 . 1 1 104 104 THR C C 13 176.99 0.05 . 1 . . . . . . . . 5709 1 730 . 1 1 105 105 TYR N N 15 121.21 0.05 . 1 . . . . . . . . 5709 1 731 . 1 1 105 105 TYR H H 1 7.61 0.03 . 1 . . . . . . . . 5709 1 732 . 1 1 105 105 TYR HA H 1 4.31 0.03 . 1 . . . . . . . . 5709 1 733 . 1 1 105 105 TYR HB2 H 1 3.09 0.03 . 1 . . . . . . . . 5709 1 734 . 1 1 105 105 TYR CA C 13 57.10 0.05 . 1 . . . . . . . . 5709 1 735 . 1 1 105 105 TYR CB C 13 35.35 0.05 . 1 . . . . . . . . 5709 1 736 . 1 1 105 105 TYR C C 13 177.99 0.05 . 1 . . . . . . . . 5709 1 737 . 1 1 106 106 LYS N N 15 118.52 0.05 . 1 . . . . . . . . 5709 1 738 . 1 1 106 106 LYS H H 1 7.83 0.03 . 1 . . . . . . . . 5709 1 739 . 1 1 106 106 LYS HA H 1 3.69 0.03 . 1 . . . . . . . . 5709 1 740 . 1 1 106 106 LYS HB2 H 1 1.82 0.03 . 1 . . . . . . . . 5709 1 741 . 1 1 106 106 LYS CA C 13 60.35 0.05 . 1 . . . . . . . . 5709 1 742 . 1 1 106 106 LYS CB C 13 32.55 0.05 . 1 . . . . . . . . 5709 1 743 . 1 1 106 106 LYS C C 13 178.91 0.05 . 1 . . . . . . . . 5709 1 744 . 1 1 107 107 SER N N 15 115.00 0.05 . 1 . . . . . . . . 5709 1 745 . 1 1 107 107 SER H H 1 8.11 0.03 . 1 . . . . . . . . 5709 1 746 . 1 1 107 107 SER HA H 1 3.93 0.03 . 1 . . . . . . . . 5709 1 747 . 1 1 107 107 SER CA C 13 60.66 0.05 . 1 . . . . . . . . 5709 1 748 . 1 1 107 107 SER CB C 13 62.23 0.05 . 1 . . . . . . . . 5709 1 749 . 1 1 107 107 SER C C 13 176.40 0.05 . 1 . . . . . . . . 5709 1 750 . 1 1 108 108 ASN N N 15 120.06 0.05 . 1 . . . . . . . . 5709 1 751 . 1 1 108 108 ASN H H 1 8.20 0.03 . 1 . . . . . . . . 5709 1 752 . 1 1 108 108 ASN HA H 1 4.21 0.03 . 1 . . . . . . . . 5709 1 753 . 1 1 108 108 ASN HB2 H 1 2.26 0.03 . 1 . . . . . . . . 5709 1 754 . 1 1 108 108 ASN CA C 13 55.53 0.05 . 1 . . . . . . . . 5709 1 755 . 1 1 108 108 ASN CB C 13 36.92 0.05 . 1 . . . . . . . . 5709 1 756 . 1 1 108 108 ASN C C 13 177.38 0.05 . 1 . . . . . . . . 5709 1 757 . 1 1 109 109 LEU N N 15 122.23 0.05 . 1 . . . . . . . . 5709 1 758 . 1 1 109 109 LEU H H 1 7.92 0.03 . 1 . . . . . . . . 5709 1 759 . 1 1 109 109 LEU HA H 1 3.77 0.03 . 1 . . . . . . . . 5709 1 760 . 1 1 109 109 LEU HB2 H 1 1.85 0.03 . 1 . . . . . . . . 5709 1 761 . 1 1 109 109 LEU HB3 H 1 1.24 0.03 . 1 . . . . . . . . 5709 1 762 . 1 1 109 109 LEU CA C 13 58.05 0.05 . 1 . . . . . . . . 5709 1 763 . 1 1 109 109 LEU CB C 13 40.96 0.05 . 1 . . . . . . . . 5709 1 764 . 1 1 109 109 LEU C C 13 176.54 0.05 . 1 . . . . . . . . 5709 1 765 . 1 1 110 110 LYS N N 15 118.25 0.05 . 1 . . . . . . . . 5709 1 766 . 1 1 110 110 LYS H H 1 7.35 0.03 . 1 . . . . . . . . 5709 1 767 . 1 1 110 110 LYS HA H 1 3.99 0.03 . 1 . . . . . . . . 5709 1 768 . 1 1 110 110 LYS HB2 H 1 1.85 0.03 . 1 . . . . . . . . 5709 1 769 . 1 1 110 110 LYS CA C 13 58.89 0.05 . 1 . . . . . . . . 5709 1 770 . 1 1 110 110 LYS CB C 13 31.54 0.05 . 1 . . . . . . . . 5709 1 771 . 1 1 110 110 LYS C C 13 178.95 0.05 . 1 . . . . . . . . 5709 1 772 . 1 1 111 111 ILE N N 15 118.01 0.05 . 1 . . . . . . . . 5709 1 773 . 1 1 111 111 ILE H H 1 7.51 0.03 . 1 . . . . . . . . 5709 1 774 . 1 1 111 111 ILE HA H 1 3.96 0.03 . 1 . . . . . . . . 5709 1 775 . 1 1 111 111 ILE CA C 13 64.27 0.05 . 1 . . . . . . . . 5709 1 776 . 1 1 111 111 ILE CB C 13 37.82 0.05 . 1 . . . . . . . . 5709 1 777 . 1 1 111 111 ILE C C 13 177.71 0.05 . 1 . . . . . . . . 5709 1 778 . 1 1 112 112 ALA N N 15 122.87 0.05 . 1 . . . . . . . . 5709 1 779 . 1 1 112 112 ALA H H 1 7.67 0.03 . 1 . . . . . . . . 5709 1 780 . 1 1 112 112 ALA HA H 1 3.98 0.03 . 1 . . . . . . . . 5709 1 781 . 1 1 112 112 ALA HB1 H 1 1.58 0.03 . 1 . . . . . . . . 5709 1 782 . 1 1 112 112 ALA HB2 H 1 1.58 0.03 . 1 . . . . . . . . 5709 1 783 . 1 1 112 112 ALA HB3 H 1 1.58 0.03 . 1 . . . . . . . . 5709 1 784 . 1 1 112 112 ALA CA C 13 55.08 0.05 . 1 . . . . . . . . 5709 1 785 . 1 1 112 112 ALA CB C 13 18.66 0.05 . 1 . . . . . . . . 5709 1 786 . 1 1 112 112 ALA C C 13 179.41 0.05 . 1 . . . . . . . . 5709 1 787 . 1 1 113 113 GLU N N 15 116.07 0.05 . 1 . . . . . . . . 5709 1 788 . 1 1 113 113 GLU H H 1 8.56 0.03 . 1 . . . . . . . . 5709 1 789 . 1 1 113 113 GLU HA H 1 3.80 0.03 . 1 . . . . . . . . 5709 1 790 . 1 1 113 113 GLU HB2 H 1 2.11 0.03 . 1 . . . . . . . . 5709 1 791 . 1 1 113 113 GLU HB3 H 1 1.94 0.03 . 1 . . . . . . . . 5709 1 792 . 1 1 113 113 GLU CA C 13 59.43 0.05 . 1 . . . . . . . . 5709 1 793 . 1 1 113 113 GLU CB C 13 29.43 0.05 . 1 . . . . . . . . 5709 1 794 . 1 1 113 113 GLU C C 13 179.87 0.05 . 1 . . . . . . . . 5709 1 795 . 1 1 114 114 LEU N N 15 119.96 0.05 . 1 . . . . . . . . 5709 1 796 . 1 1 114 114 LEU H H 1 7.73 0.03 . 1 . . . . . . . . 5709 1 797 . 1 1 114 114 LEU HA H 1 3.98 0.03 . 1 . . . . . . . . 5709 1 798 . 1 1 114 114 LEU HB2 H 1 1.82 0.03 . 1 . . . . . . . . 5709 1 799 . 1 1 114 114 LEU HB3 H 1 1.55 0.03 . 1 . . . . . . . . 5709 1 800 . 1 1 114 114 LEU CA C 13 57.10 0.05 . 1 . . . . . . . . 5709 1 801 . 1 1 114 114 LEU CB C 13 41.41 0.05 . 1 . . . . . . . . 5709 1 802 . 1 1 114 114 LEU C C 13 179.58 0.05 . 1 . . . . . . . . 5709 1 803 . 1 1 115 115 LYS N N 15 118.79 0.05 . 1 . . . . . . . . 5709 1 804 . 1 1 115 115 LYS H H 1 7.63 0.03 . 1 . . . . . . . . 5709 1 805 . 1 1 115 115 LYS HA H 1 3.90 0.03 . 1 . . . . . . . . 5709 1 806 . 1 1 115 115 LYS HB2 H 1 1.58 0.03 . 1 . . . . . . . . 5709 1 807 . 1 1 115 115 LYS HB3 H 1 1.27 0.03 . 1 . . . . . . . . 5709 1 808 . 1 1 115 115 LYS CA C 13 56.76 0.05 . 1 . . . . . . . . 5709 1 809 . 1 1 115 115 LYS CB C 13 30.87 0.05 . 1 . . . . . . . . 5709 1 810 . 1 1 115 115 LYS C C 13 177.80 0.05 . 1 . . . . . . . . 5709 1 811 . 1 1 116 116 LEU N N 15 117.23 0.05 . 1 . . . . . . . . 5709 1 812 . 1 1 116 116 LEU H H 1 7.33 0.03 . 1 . . . . . . . . 5709 1 813 . 1 1 116 116 LEU HA H 1 4.16 0.03 . 1 . . . . . . . . 5709 1 814 . 1 1 116 116 LEU HB2 H 1 1.76 0.03 . 1 . . . . . . . . 5709 1 815 . 1 1 116 116 LEU HB3 H 1 1.63 0.03 . 1 . . . . . . . . 5709 1 816 . 1 1 116 116 LEU CA C 13 55.41 0.05 . 1 . . . . . . . . 5709 1 817 . 1 1 116 116 LEU CB C 13 41.52 0.05 . 1 . . . . . . . . 5709 1 818 . 1 1 116 116 LEU C C 13 177.14 0.05 . 1 . . . . . . . . 5709 1 819 . 1 1 117 117 ARG N N 15 118.47 0.05 . 1 . . . . . . . . 5709 1 820 . 1 1 117 117 ARG H H 1 7.46 0.03 . 1 . . . . . . . . 5709 1 821 . 1 1 117 117 ARG HA H 1 4.29 0.03 . 1 . . . . . . . . 5709 1 822 . 1 1 117 117 ARG HB2 H 1 1.85 0.03 . 1 . . . . . . . . 5709 1 823 . 1 1 117 117 ARG CA C 13 55.53 0.05 . 1 . . . . . . . . 5709 1 824 . 1 1 117 117 ARG CB C 13 30.53 0.05 . 1 . . . . . . . . 5709 1 825 . 1 1 117 117 ARG C C 13 175.14 0.05 . 1 . . . . . . . . 5709 1 826 . 1 1 118 118 GLU N N 15 126.60 0.05 . 1 . . . . . . . . 5709 1 827 . 1 1 118 118 GLU H H 1 7.58 0.03 . 1 . . . . . . . . 5709 1 828 . 1 1 118 118 GLU HA H 1 3.95 0.03 . 1 . . . . . . . . 5709 1 829 . 1 1 118 118 GLU CA C 13 58.10 0.05 . 1 . . . . . . . . 5709 1 830 . 1 1 118 118 GLU CB C 13 30.53 0.05 . 1 . . . . . . . . 5709 1 831 . 1 1 118 118 GLU C C 13 180.93 0.05 . 1 . . . . . . . . 5709 1 stop_ save_