data_18200 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18200 _Entry.Title ; Resonance assignments for C-terminal DNA-binding domain of RstA protein from Klebsiella pneumonia ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-17 _Entry.Accession_date 2012-01-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Sheng-Chia Chen . . . 18200 2 Pei-Ju Fang . . . 18200 3 Ya-Hsin Cheng . . . 18200 4 Chi-Fon Chang . . . 18200 5 Tsunai Yu . . . 18200 6 Tai-huang Huang . . . 18200 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18200 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 389 18200 '15N chemical shifts' 103 18200 '1H chemical shifts' 681 18200 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 2 . . 2013-03-25 2012-01-17 update BMRB 'update entry citation' 18200 1 . . 2012-05-08 2012-01-17 original author 'original release' 18200 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18200 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22481468 _Citation.Full_citation . _Citation.Title '(1)H, (13)C and (15)N resonance assignments of the C-terminal DNA-binding domain of RstA protein from Klebsiella pneumoniae.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _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 85 _Citation.Page_last 88 _Citation.Year 2013 _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 Sheng-Chia Chen . . . 18200 1 2 Chi-Fon Chang . . . 18200 1 3 Pei-Ju Fan . . . 18200 1 4 Ya-Hsin Cheng . . . 18200 1 5 Tsunai Yu . . . 18200 1 6 Tai-Huang Huang . . . 18200 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID DNA-binding 18200 1 Feo 18200 1 'ferrous iron transport' 18200 1 'Klebsiella pneumonia' 18200 1 'Two component systems' 18200 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18200 _Assembly.ID 1 _Assembly.Name RstA_C _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 RstA_C 1 $RstA_C A . yes native no no . . . 18200 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RstA_C _Entity.Sf_category entity _Entity.Sf_framecode RstA_C _Entity.Entry_ID 18200 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RstA_C _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 ; MHHHHHHAMGTLTPHKTISF GSLTIDPVNRQVLLGGENVA LSTADFDLLWELATHAGQIM DRDALLKNLRGVTYDGMDRS VDVAISRLRKKLLDNATEPY RIKTVRNKGYLFAPHAWDN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MLK . "Three-dimensional Structure Of The C-terminal Dna-binding Domain Of Rsta Protein From Klebsiella Pneumoniae" . . . . . 100.00 119 100.00 100.00 5.83e-81 . . . . 18200 1 2 no PDB 4NHJ . "Crystal Structure Of Klebsiella Pneumoniae Rsta Dna-binding Domain In Complex With Rsta Box" . . . . . 100.00 119 98.32 100.00 1.87e-80 . . . . 18200 1 3 no DBJ BAH63203 . "two-component regulatory system response regulator [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 94.12 239 98.21 98.21 1.89e-71 . . . . 18200 1 4 no DBJ BAS35643 . "DNA-binding transcriptional regulator rstA [Klebsiella pneumoniae]" . . . . . 91.60 238 99.08 100.00 3.02e-70 . . . . 18200 1 5 no EMBL CCI77052 . "rstA [Klebsiella pneumoniae subsp. rhinoscleromatis SB3432]" . . . . . 94.12 239 98.21 98.21 1.89e-71 . . . . 18200 1 6 no EMBL CCM80542 . "Transcriptional regulatory protein RstA [Klebsiella pneumoniae subsp. pneumoniae ST258-K26BO]" . . . . . 94.12 239 98.21 98.21 1.89e-71 . . . . 18200 1 7 no EMBL CCM87616 . "Transcriptional regulatory protein RstA [Klebsiella pneumoniae subsp. pneumoniae ST258-K28BO]" . . . . . 94.12 239 98.21 98.21 1.89e-71 . . . . 18200 1 8 no EMBL CCM95853 . "Transcriptional regulatory protein RstA [Klebsiella pneumoniae subsp. pneumoniae ST512-K30BO]" . . . . . 94.12 239 98.21 98.21 1.89e-71 . . . . 18200 1 9 no EMBL CCN29569 . "transcriptional regulatory protein RstA [Klebsiella pneumoniae subsp. pneumoniae Ecl8]" . . . . . 94.12 239 98.21 98.21 1.89e-71 . . . . 18200 1 10 no GB ABR76952 . "response regulator (activator) in two-component regulatory system with RstB (OmpR family) [Klebsiella pneumoniae subsp. pneumon" . . . . . 94.12 239 98.21 98.21 1.89e-71 . . . . 18200 1 11 no GB ACI11717 . "transcriptional regulatory protein RstA [Klebsiella pneumoniae 342]" . . . . . 92.44 240 99.09 99.09 5.47e-71 . . . . 18200 1 12 no GB ADC58723 . "two component transcriptional regulator, winged helix family [Klebsiella variicola At-22]" . . . . . 92.44 240 99.09 99.09 5.47e-71 . . . . 18200 1 13 no GB AEJ97988 . "DNA-binding transcriptional regulator RstA [Klebsiella pneumoniae KCTC 2242]" . . . . . 94.12 239 98.21 98.21 1.89e-71 . . . . 18200 1 14 no GB AEW61123 . "DNA-binding transcriptional regulator RstA [Klebsiella pneumoniae subsp. pneumoniae HS11286]" . . . . . 94.12 239 98.21 98.21 1.89e-71 . . . . 18200 1 15 no REF WP_002903377 . "MULTISPECIES: DNA-binding response regulator [Enterobacteriaceae]" . . . . . 94.12 239 98.21 98.21 1.89e-71 . . . . 18200 1 16 no REF WP_008805070 . "MULTISPECIES: DNA-binding response regulator [Enterobacteriaceae]" . . . . . 92.44 240 99.09 99.09 5.47e-71 . . . . 18200 1 17 no REF WP_017898700 . "MULTISPECIES: DNA-binding response regulator [Klebsiella]" . . . . . 94.12 238 97.32 98.21 1.41e-70 . . . . 18200 1 18 no REF WP_020313713 . "DNA-binding response regulator [Klebsiella pneumoniae]" . . . . . 94.12 239 97.32 98.21 6.37e-71 . . . . 18200 1 19 no REF WP_021440054 . "DNA-binding response regulator [Klebsiella pneumoniae]" . . . . . 94.12 239 98.21 98.21 1.85e-71 . . . . 18200 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 1 121 MET . 18200 1 2 122 HIS . 18200 1 3 123 HIS . 18200 1 4 124 HIS . 18200 1 5 125 HIS . 18200 1 6 126 HIS . 18200 1 7 127 HIS . 18200 1 8 128 ALA . 18200 1 9 129 MET . 18200 1 10 130 GLY . 18200 1 11 131 THR . 18200 1 12 132 LEU . 18200 1 13 133 THR . 18200 1 14 134 PRO . 18200 1 15 135 HIS . 18200 1 16 136 LYS . 18200 1 17 137 THR . 18200 1 18 138 ILE . 18200 1 19 139 SER . 18200 1 20 140 PHE . 18200 1 21 141 GLY . 18200 1 22 142 SER . 18200 1 23 143 LEU . 18200 1 24 144 THR . 18200 1 25 145 ILE . 18200 1 26 146 ASP . 18200 1 27 147 PRO . 18200 1 28 148 VAL . 18200 1 29 149 ASN . 18200 1 30 150 ARG . 18200 1 31 151 GLN . 18200 1 32 152 VAL . 18200 1 33 153 LEU . 18200 1 34 154 LEU . 18200 1 35 155 GLY . 18200 1 36 156 GLY . 18200 1 37 157 GLU . 18200 1 38 158 ASN . 18200 1 39 159 VAL . 18200 1 40 160 ALA . 18200 1 41 161 LEU . 18200 1 42 162 SER . 18200 1 43 163 THR . 18200 1 44 164 ALA . 18200 1 45 165 ASP . 18200 1 46 166 PHE . 18200 1 47 167 ASP . 18200 1 48 168 LEU . 18200 1 49 169 LEU . 18200 1 50 170 TRP . 18200 1 51 171 GLU . 18200 1 52 172 LEU . 18200 1 53 173 ALA . 18200 1 54 174 THR . 18200 1 55 175 HIS . 18200 1 56 176 ALA . 18200 1 57 177 GLY . 18200 1 58 178 GLN . 18200 1 59 179 ILE . 18200 1 60 180 MET . 18200 1 61 181 ASP . 18200 1 62 182 ARG . 18200 1 63 183 ASP . 18200 1 64 184 ALA . 18200 1 65 185 LEU . 18200 1 66 186 LEU . 18200 1 67 187 LYS . 18200 1 68 188 ASN . 18200 1 69 189 LEU . 18200 1 70 190 ARG . 18200 1 71 191 GLY . 18200 1 72 192 VAL . 18200 1 73 193 THR . 18200 1 74 194 TYR . 18200 1 75 195 ASP . 18200 1 76 196 GLY . 18200 1 77 197 MET . 18200 1 78 198 ASP . 18200 1 79 199 ARG . 18200 1 80 200 SER . 18200 1 81 201 VAL . 18200 1 82 202 ASP . 18200 1 83 203 VAL . 18200 1 84 204 ALA . 18200 1 85 205 ILE . 18200 1 86 206 SER . 18200 1 87 207 ARG . 18200 1 88 208 LEU . 18200 1 89 209 ARG . 18200 1 90 210 LYS . 18200 1 91 211 LYS . 18200 1 92 212 LEU . 18200 1 93 213 LEU . 18200 1 94 214 ASP . 18200 1 95 215 ASN . 18200 1 96 216 ALA . 18200 1 97 217 THR . 18200 1 98 218 GLU . 18200 1 99 219 PRO . 18200 1 100 220 TYR . 18200 1 101 221 ARG . 18200 1 102 222 ILE . 18200 1 103 223 LYS . 18200 1 104 224 THR . 18200 1 105 225 VAL . 18200 1 106 226 ARG . 18200 1 107 227 ASN . 18200 1 108 228 LYS . 18200 1 109 229 GLY . 18200 1 110 230 TYR . 18200 1 111 231 LEU . 18200 1 112 232 PHE . 18200 1 113 233 ALA . 18200 1 114 234 PRO . 18200 1 115 235 HIS . 18200 1 116 236 ALA . 18200 1 117 237 TRP . 18200 1 118 238 ASP . 18200 1 119 239 ASN . 18200 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 18200 1 . HIS 2 2 18200 1 . HIS 3 3 18200 1 . HIS 4 4 18200 1 . HIS 5 5 18200 1 . HIS 6 6 18200 1 . HIS 7 7 18200 1 . ALA 8 8 18200 1 . MET 9 9 18200 1 . GLY 10 10 18200 1 . THR 11 11 18200 1 . LEU 12 12 18200 1 . THR 13 13 18200 1 . PRO 14 14 18200 1 . HIS 15 15 18200 1 . LYS 16 16 18200 1 . THR 17 17 18200 1 . ILE 18 18 18200 1 . SER 19 19 18200 1 . PHE 20 20 18200 1 . GLY 21 21 18200 1 . SER 22 22 18200 1 . LEU 23 23 18200 1 . THR 24 24 18200 1 . ILE 25 25 18200 1 . ASP 26 26 18200 1 . PRO 27 27 18200 1 . VAL 28 28 18200 1 . ASN 29 29 18200 1 . ARG 30 30 18200 1 . GLN 31 31 18200 1 . VAL 32 32 18200 1 . LEU 33 33 18200 1 . LEU 34 34 18200 1 . GLY 35 35 18200 1 . GLY 36 36 18200 1 . GLU 37 37 18200 1 . ASN 38 38 18200 1 . VAL 39 39 18200 1 . ALA 40 40 18200 1 . LEU 41 41 18200 1 . SER 42 42 18200 1 . THR 43 43 18200 1 . ALA 44 44 18200 1 . ASP 45 45 18200 1 . PHE 46 46 18200 1 . ASP 47 47 18200 1 . LEU 48 48 18200 1 . LEU 49 49 18200 1 . TRP 50 50 18200 1 . GLU 51 51 18200 1 . LEU 52 52 18200 1 . ALA 53 53 18200 1 . THR 54 54 18200 1 . HIS 55 55 18200 1 . ALA 56 56 18200 1 . GLY 57 57 18200 1 . GLN 58 58 18200 1 . ILE 59 59 18200 1 . MET 60 60 18200 1 . ASP 61 61 18200 1 . ARG 62 62 18200 1 . ASP 63 63 18200 1 . ALA 64 64 18200 1 . LEU 65 65 18200 1 . LEU 66 66 18200 1 . LYS 67 67 18200 1 . ASN 68 68 18200 1 . LEU 69 69 18200 1 . ARG 70 70 18200 1 . GLY 71 71 18200 1 . VAL 72 72 18200 1 . THR 73 73 18200 1 . TYR 74 74 18200 1 . ASP 75 75 18200 1 . GLY 76 76 18200 1 . MET 77 77 18200 1 . ASP 78 78 18200 1 . ARG 79 79 18200 1 . SER 80 80 18200 1 . VAL 81 81 18200 1 . ASP 82 82 18200 1 . VAL 83 83 18200 1 . ALA 84 84 18200 1 . ILE 85 85 18200 1 . SER 86 86 18200 1 . ARG 87 87 18200 1 . LEU 88 88 18200 1 . ARG 89 89 18200 1 . LYS 90 90 18200 1 . LYS 91 91 18200 1 . LEU 92 92 18200 1 . LEU 93 93 18200 1 . ASP 94 94 18200 1 . ASN 95 95 18200 1 . ALA 96 96 18200 1 . THR 97 97 18200 1 . GLU 98 98 18200 1 . PRO 99 99 18200 1 . TYR 100 100 18200 1 . ARG 101 101 18200 1 . ILE 102 102 18200 1 . LYS 103 103 18200 1 . THR 104 104 18200 1 . VAL 105 105 18200 1 . ARG 106 106 18200 1 . ASN 107 107 18200 1 . LYS 108 108 18200 1 . GLY 109 109 18200 1 . TYR 110 110 18200 1 . LEU 111 111 18200 1 . PHE 112 112 18200 1 . ALA 113 113 18200 1 . PRO 114 114 18200 1 . HIS 115 115 18200 1 . ALA 116 116 18200 1 . TRP 117 117 18200 1 . ASP 118 118 18200 1 . ASN 119 119 18200 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 18200 _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 $RstA_C . 573 plasmid . 'Klebsiella pneumonia' 'Klebsiella pneumonia' . . Bacteria . Klebsiella pneumonia . . . . . . . . . . . . . . . . . . . . . 18200 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 18200 _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 $RstA_C . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . BL21 . . . . . . 18200 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18200 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 RstA_C '[U-13C; U-15N]' . . 1 $RstA_C . . 0.1-1.0 . . mM . . . . 18200 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18200 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 18200 1 pH 6.0 . pH 18200 1 pressure 1 . atm 18200 1 temperature 298 . K 18200 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18200 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18200 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18200 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18200 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18200 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18200 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18200 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 18200 1 2 spectrometer_2 Bruker Avance . 600 . . . 18200 1 3 spectrometer_3 Bruker Avance . 800 . . . 18200 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 18200 _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 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18200 1 2 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18200 1 3 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18200 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18200 1 5 '3D HCACO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18200 1 6 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18200 1 7 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18200 1 8 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18200 1 9 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18200 1 10 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18200 1 11 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18200 1 12 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18200 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18200 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _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 1 _NMR_spec_expt.Software_label $CARA _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_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18200 _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 0.00 na indirect 0.251449530 . . . . . . . . . 18200 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18200 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18200 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18200 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 11 '3D 1H-15N NOESY' . . . 18200 1 12 '3D 1H-13C NOESY' . . . 18200 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 8 8 ALA H H 1 8.519 0.020 . 1 . . . . 128 ALA H . 18200 1 2 . 1 1 8 8 ALA HA H 1 4.266 0.020 . 1 . . . . 128 ALA HA . 18200 1 3 . 1 1 8 8 ALA HB1 H 1 1.337 0.020 . 1 . . . . 128 ALA HB . 18200 1 4 . 1 1 8 8 ALA HB2 H 1 1.337 0.020 . 1 . . . . 128 ALA HB . 18200 1 5 . 1 1 8 8 ALA HB3 H 1 1.337 0.020 . 1 . . . . 128 ALA HB . 18200 1 6 . 1 1 8 8 ALA C C 13 177.630 0.300 . 1 . . . . 128 ALA C . 18200 1 7 . 1 1 8 8 ALA CA C 13 52.427 0.300 . 1 . . . . 128 ALA CA . 18200 1 8 . 1 1 8 8 ALA CB C 13 19.104 0.300 . 1 . . . . 128 ALA CB . 18200 1 9 . 1 1 8 8 ALA N N 15 126.301 0.300 . 1 . . . . 128 ALA N . 18200 1 10 . 1 1 9 9 MET H H 1 8.522 0.020 . 1 . . . . 129 MET H . 18200 1 11 . 1 1 9 9 MET HA H 1 4.445 0.020 . 1 . . . . 129 MET HA . 18200 1 12 . 1 1 9 9 MET HB2 H 1 2.542 0.020 . 2 . . . . 129 MET HB2 . 18200 1 13 . 1 1 9 9 MET HB3 H 1 2.034 0.020 . 2 . . . . 129 MET HB3 . 18200 1 14 . 1 1 9 9 MET C C 13 176.804 0.300 . 1 . . . . 129 MET C . 18200 1 15 . 1 1 9 9 MET CA C 13 55.487 0.300 . 1 . . . . 129 MET CA . 18200 1 16 . 1 1 9 9 MET CB C 13 32.031 0.300 . 1 . . . . 129 MET CB . 18200 1 17 . 1 1 9 9 MET N N 15 120.529 0.300 . 1 . . . . 129 MET N . 18200 1 18 . 1 1 10 10 GLY H H 1 8.448 0.020 . 1 . . . . 130 GLY H . 18200 1 19 . 1 1 10 10 GLY HA2 H 1 3.936 0.020 . 1 . . . . 130 GLY HA2 . 18200 1 20 . 1 1 10 10 GLY HA3 H 1 3.936 0.020 . 1 . . . . 130 GLY HA3 . 18200 1 21 . 1 1 10 10 GLY C C 13 174.230 0.300 . 1 . . . . 130 GLY C . 18200 1 22 . 1 1 10 10 GLY CA C 13 45.213 0.300 . 1 . . . . 130 GLY CA . 18200 1 23 . 1 1 10 10 GLY N N 15 110.151 0.300 . 1 . . . . 130 GLY N . 18200 1 24 . 1 1 11 11 THR H H 1 8.108 0.020 . 1 . . . . 131 THR H . 18200 1 25 . 1 1 11 11 THR HA H 1 4.285 0.020 . 1 . . . . 131 THR HA . 18200 1 26 . 1 1 11 11 THR HB H 1 4.163 0.020 . 1 . . . . 131 THR HB . 18200 1 27 . 1 1 11 11 THR HG21 H 1 1.164 0.020 . 1 . . . . 131 THR HG2 . 18200 1 28 . 1 1 11 11 THR HG22 H 1 1.164 0.020 . 1 . . . . 131 THR HG2 . 18200 1 29 . 1 1 11 11 THR HG23 H 1 1.164 0.020 . 1 . . . . 131 THR HG2 . 18200 1 30 . 1 1 11 11 THR C C 13 174.471 0.300 . 1 . . . . 131 THR C . 18200 1 31 . 1 1 11 11 THR CA C 13 61.860 0.300 . 1 . . . . 131 THR CA . 18200 1 32 . 1 1 11 11 THR CB C 13 69.496 0.300 . 1 . . . . 131 THR CB . 18200 1 33 . 1 1 11 11 THR N N 15 114.123 0.300 . 1 . . . . 131 THR N . 18200 1 34 . 1 1 12 12 LEU H H 1 8.376 0.020 . 1 . . . . 132 LEU H . 18200 1 35 . 1 1 12 12 LEU HA H 1 4.405 0.020 . 1 . . . . 132 LEU HA . 18200 1 36 . 1 1 12 12 LEU HB2 H 1 1.616 0.020 . 1 . . . . 132 LEU HB2 . 18200 1 37 . 1 1 12 12 LEU HB3 H 1 1.616 0.020 . 1 . . . . 132 LEU HB3 . 18200 1 38 . 1 1 12 12 LEU HD11 H 1 0.868 0.020 . 1 . . . . 132 LEU HD1 . 18200 1 39 . 1 1 12 12 LEU HD12 H 1 0.868 0.020 . 1 . . . . 132 LEU HD1 . 18200 1 40 . 1 1 12 12 LEU HD13 H 1 0.868 0.020 . 1 . . . . 132 LEU HD1 . 18200 1 41 . 1 1 12 12 LEU HD21 H 1 0.868 0.020 . 1 . . . . 132 LEU HD2 . 18200 1 42 . 1 1 12 12 LEU HD22 H 1 0.868 0.020 . 1 . . . . 132 LEU HD2 . 18200 1 43 . 1 1 12 12 LEU HD23 H 1 0.868 0.020 . 1 . . . . 132 LEU HD2 . 18200 1 44 . 1 1 12 12 LEU C C 13 177.206 0.300 . 1 . . . . 132 LEU C . 18200 1 45 . 1 1 12 12 LEU CA C 13 54.932 0.300 . 1 . . . . 132 LEU CA . 18200 1 46 . 1 1 12 12 LEU CB C 13 42.007 0.300 . 1 . . . . 132 LEU CB . 18200 1 47 . 1 1 12 12 LEU CG C 13 26.600 0.300 . 1 . . . . 132 LEU CG . 18200 1 48 . 1 1 12 12 LEU CD1 C 13 24.811 0.300 . 1 . . . . 132 LEU CD1 . 18200 1 49 . 1 1 12 12 LEU N N 15 124.971 0.300 . 1 . . . . 132 LEU N . 18200 1 50 . 1 1 13 13 THR H H 1 8.197 0.020 . 1 . . . . 133 THR H . 18200 1 51 . 1 1 13 13 THR HA H 1 4.522 0.020 . 1 . . . . 133 THR HA . 18200 1 52 . 1 1 13 13 THR HB H 1 4.090 0.020 . 1 . . . . 133 THR HB . 18200 1 53 . 1 1 13 13 THR HG1 H 1 4.106 0.020 . 1 . . . . 133 THR HG1 . 18200 1 54 . 1 1 13 13 THR HG21 H 1 1.177 0.020 . 1 . . . . 133 THR HG2 . 18200 1 55 . 1 1 13 13 THR HG22 H 1 1.177 0.020 . 1 . . . . 133 THR HG2 . 18200 1 56 . 1 1 13 13 THR HG23 H 1 1.177 0.020 . 1 . . . . 133 THR HG2 . 18200 1 57 . 1 1 13 13 THR C C 13 172.819 0.300 . 1 . . . . 133 THR C . 18200 1 58 . 1 1 13 13 THR CA C 13 59.659 0.300 . 1 . . . . 133 THR CA . 18200 1 59 . 1 1 13 13 THR CB C 13 69.604 0.300 . 1 . . . . 133 THR CB . 18200 1 60 . 1 1 13 13 THR CG2 C 13 21.193 0.300 . 1 . . . . 133 THR CG2 . 18200 1 61 . 1 1 13 13 THR N N 15 117.980 0.300 . 1 . . . . 133 THR N . 18200 1 62 . 1 1 14 14 PRO HA H 1 4.376 0.020 . 1 . . . . 134 PRO HA . 18200 1 63 . 1 1 14 14 PRO HB2 H 1 1.875 0.020 . 1 . . . . 134 PRO HB2 . 18200 1 64 . 1 1 14 14 PRO HB3 H 1 1.875 0.020 . 1 . . . . 134 PRO HB3 . 18200 1 65 . 1 1 14 14 PRO HG2 H 1 1.781 0.020 . 1 . . . . 134 PRO HG2 . 18200 1 66 . 1 1 14 14 PRO HG3 H 1 1.781 0.020 . 1 . . . . 134 PRO HG3 . 18200 1 67 . 1 1 14 14 PRO CA C 13 63.136 0.300 . 1 . . . . 134 PRO CA . 18200 1 68 . 1 1 14 14 PRO CB C 13 32.136 0.300 . 1 . . . . 134 PRO CB . 18200 1 69 . 1 1 15 15 HIS H H 1 8.602 0.020 . 1 . . . . 135 HIS H . 18200 1 70 . 1 1 15 15 HIS HA H 1 4.673 0.020 . 1 . . . . 135 HIS HA . 18200 1 71 . 1 1 15 15 HIS HB2 H 1 3.170 0.020 . 1 . . . . 135 HIS HB2 . 18200 1 72 . 1 1 15 15 HIS HB3 H 1 3.170 0.020 . 1 . . . . 135 HIS HB3 . 18200 1 73 . 1 1 15 15 HIS HD2 H 1 7.291 0.020 . 1 . . . . 135 HIS HD2 . 18200 1 74 . 1 1 15 15 HIS C C 13 173.794 0.300 . 1 . . . . 135 HIS C . 18200 1 75 . 1 1 15 15 HIS CA C 13 55.428 0.300 . 1 . . . . 135 HIS CA . 18200 1 76 . 1 1 15 15 HIS CB C 13 29.334 0.300 . 1 . . . . 135 HIS CB . 18200 1 77 . 1 1 15 15 HIS CD2 C 13 117.062 0.300 . 1 . . . . 135 HIS CD2 . 18200 1 78 . 1 1 15 15 HIS N N 15 118.798 0.300 . 1 . . . . 135 HIS N . 18200 1 79 . 1 1 16 16 LYS H H 1 8.237 0.020 . 1 . . . . 136 LYS H . 18200 1 80 . 1 1 16 16 LYS HA H 1 4.504 0.020 . 1 . . . . 136 LYS HA . 18200 1 81 . 1 1 16 16 LYS HB2 H 1 1.815 0.020 . 1 . . . . 136 LYS HB2 . 18200 1 82 . 1 1 16 16 LYS HB3 H 1 1.815 0.020 . 1 . . . . 136 LYS HB3 . 18200 1 83 . 1 1 16 16 LYS C C 13 175.692 0.300 . 1 . . . . 136 LYS C . 18200 1 84 . 1 1 16 16 LYS CA C 13 55.815 0.300 . 1 . . . . 136 LYS CA . 18200 1 85 . 1 1 16 16 LYS CB C 13 33.690 0.300 . 1 . . . . 136 LYS CB . 18200 1 86 . 1 1 16 16 LYS N N 15 121.132 0.300 . 1 . . . . 136 LYS N . 18200 1 87 . 1 1 17 17 THR H H 1 7.980 0.020 . 1 . . . . 137 THR H . 18200 1 88 . 1 1 17 17 THR HA H 1 4.688 0.020 . 1 . . . . 137 THR HA . 18200 1 89 . 1 1 17 17 THR HB H 1 3.990 0.020 . 1 . . . . 137 THR HB . 18200 1 90 . 1 1 17 17 THR HG21 H 1 1.127 0.020 . 1 . . . . 137 THR HG2 . 18200 1 91 . 1 1 17 17 THR HG22 H 1 1.127 0.020 . 1 . . . . 137 THR HG2 . 18200 1 92 . 1 1 17 17 THR HG23 H 1 1.127 0.020 . 1 . . . . 137 THR HG2 . 18200 1 93 . 1 1 17 17 THR C C 13 174.332 0.300 . 1 . . . . 137 THR C . 18200 1 94 . 1 1 17 17 THR CA C 13 63.282 0.300 . 1 . . . . 137 THR CA . 18200 1 95 . 1 1 17 17 THR CB C 13 69.717 0.300 . 1 . . . . 137 THR CB . 18200 1 96 . 1 1 17 17 THR CG2 C 13 22.375 0.300 . 1 . . . . 137 THR CG2 . 18200 1 97 . 1 1 17 17 THR N N 15 114.933 0.300 . 1 . . . . 137 THR N . 18200 1 98 . 1 1 18 18 ILE H H 1 8.630 0.020 . 1 . . . . 138 ILE H . 18200 1 99 . 1 1 18 18 ILE HA H 1 4.574 0.020 . 1 . . . . 138 ILE HA . 18200 1 100 . 1 1 18 18 ILE HB H 1 1.580 0.020 . 1 . . . . 138 ILE HB . 18200 1 101 . 1 1 18 18 ILE HG12 H 1 1.204 0.020 . 2 . . . . 138 ILE HG12 . 18200 1 102 . 1 1 18 18 ILE HG13 H 1 1.415 0.020 . 2 . . . . 138 ILE HG13 . 18200 1 103 . 1 1 18 18 ILE HG21 H 1 0.737 0.020 . 1 . . . . 138 ILE HG2 . 18200 1 104 . 1 1 18 18 ILE HG22 H 1 0.737 0.020 . 1 . . . . 138 ILE HG2 . 18200 1 105 . 1 1 18 18 ILE HG23 H 1 0.737 0.020 . 1 . . . . 138 ILE HG2 . 18200 1 106 . 1 1 18 18 ILE HD11 H 1 0.281 0.020 . 1 . . . . 138 ILE HD1 . 18200 1 107 . 1 1 18 18 ILE HD12 H 1 0.281 0.020 . 1 . . . . 138 ILE HD1 . 18200 1 108 . 1 1 18 18 ILE HD13 H 1 0.281 0.020 . 1 . . . . 138 ILE HD1 . 18200 1 109 . 1 1 18 18 ILE C C 13 173.845 0.300 . 1 . . . . 138 ILE C . 18200 1 110 . 1 1 18 18 ILE CA C 13 59.867 0.300 . 1 . . . . 138 ILE CA . 18200 1 111 . 1 1 18 18 ILE CB C 13 40.977 0.300 . 1 . . . . 138 ILE CB . 18200 1 112 . 1 1 18 18 ILE CG1 C 13 25.971 0.300 . 1 . . . . 138 ILE CG1 . 18200 1 113 . 1 1 18 18 ILE CG2 C 13 17.570 0.300 . 1 . . . . 138 ILE CG2 . 18200 1 114 . 1 1 18 18 ILE CD1 C 13 13.617 0.300 . 1 . . . . 138 ILE CD1 . 18200 1 115 . 1 1 18 18 ILE N N 15 120.452 0.300 . 1 . . . . 138 ILE N . 18200 1 116 . 1 1 19 19 SER H H 1 7.923 0.020 . 1 . . . . 139 SER H . 18200 1 117 . 1 1 19 19 SER HA H 1 5.426 0.020 . 1 . . . . 139 SER HA . 18200 1 118 . 1 1 19 19 SER HB2 H 1 3.634 0.020 . 2 . . . . 139 SER HB2 . 18200 1 119 . 1 1 19 19 SER HB3 H 1 3.475 0.020 . 2 . . . . 139 SER HB3 . 18200 1 120 . 1 1 19 19 SER C C 13 172.571 0.300 . 1 . . . . 139 SER C . 18200 1 121 . 1 1 19 19 SER CA C 13 56.632 0.300 . 1 . . . . 139 SER CA . 18200 1 122 . 1 1 19 19 SER CB C 13 66.236 0.300 . 1 . . . . 139 SER CB . 18200 1 123 . 1 1 19 19 SER N N 15 116.698 0.300 . 1 . . . . 139 SER N . 18200 1 124 . 1 1 20 20 PHE H H 1 8.971 0.020 . 1 . . . . 140 PHE H . 18200 1 125 . 1 1 20 20 PHE HA H 1 4.544 0.020 . 1 . . . . 140 PHE HA . 18200 1 126 . 1 1 20 20 PHE HB2 H 1 3.330 0.020 . 2 . . . . 140 PHE HB2 . 18200 1 127 . 1 1 20 20 PHE HB3 H 1 2.598 0.020 . 2 . . . . 140 PHE HB3 . 18200 1 128 . 1 1 20 20 PHE HD1 H 1 6.871 0.020 . 1 . . . . 140 PHE HD1 . 18200 1 129 . 1 1 20 20 PHE HD2 H 1 6.871 0.020 . 1 . . . . 140 PHE HD2 . 18200 1 130 . 1 1 20 20 PHE HE1 H 1 6.983 0.020 . 1 . . . . 140 PHE HE1 . 18200 1 131 . 1 1 20 20 PHE HE2 H 1 6.983 0.020 . 1 . . . . 140 PHE HE2 . 18200 1 132 . 1 1 20 20 PHE C C 13 174.588 0.300 . 1 . . . . 140 PHE C . 18200 1 133 . 1 1 20 20 PHE CA C 13 55.906 0.300 . 1 . . . . 140 PHE CA . 18200 1 134 . 1 1 20 20 PHE CB C 13 41.288 0.300 . 1 . . . . 140 PHE CB . 18200 1 135 . 1 1 20 20 PHE CD1 C 13 128.364 0.300 . 1 . . . . 140 PHE CD1 . 18200 1 136 . 1 1 20 20 PHE CE1 C 13 130.110 0.300 . 1 . . . . 140 PHE CE1 . 18200 1 137 . 1 1 20 20 PHE N N 15 123.045 0.300 . 1 . . . . 140 PHE N . 18200 1 138 . 1 1 21 21 GLY H H 1 8.814 0.020 . 1 . . . . 141 GLY H . 18200 1 139 . 1 1 21 21 GLY HA2 H 1 3.752 0.020 . 2 . . . . 141 GLY HA2 . 18200 1 140 . 1 1 21 21 GLY HA3 H 1 3.885 0.020 . 2 . . . . 141 GLY HA3 . 18200 1 141 . 1 1 21 21 GLY C C 13 176.051 0.300 . 1 . . . . 141 GLY C . 18200 1 142 . 1 1 21 21 GLY CA C 13 48.226 0.300 . 1 . . . . 141 GLY CA . 18200 1 143 . 1 1 21 21 GLY N N 15 111.752 0.300 . 1 . . . . 141 GLY N . 18200 1 144 . 1 1 22 22 SER H H 1 8.796 0.020 . 1 . . . . 142 SER H . 18200 1 145 . 1 1 22 22 SER HA H 1 4.483 0.020 . 1 . . . . 142 SER HA . 18200 1 146 . 1 1 22 22 SER HB2 H 1 4.146 0.020 . 1 . . . . 142 SER HB2 . 18200 1 147 . 1 1 22 22 SER HB3 H 1 4.146 0.020 . 1 . . . . 142 SER HB3 . 18200 1 148 . 1 1 22 22 SER C C 13 175.282 0.300 . 1 . . . . 142 SER C . 18200 1 149 . 1 1 22 22 SER CA C 13 59.425 0.300 . 1 . . . . 142 SER CA . 18200 1 150 . 1 1 22 22 SER CB C 13 64.297 0.300 . 1 . . . . 142 SER CB . 18200 1 151 . 1 1 22 22 SER N N 15 122.813 0.300 . 1 . . . . 142 SER N . 18200 1 152 . 1 1 23 23 LEU H H 1 8.982 0.020 . 1 . . . . 143 LEU H . 18200 1 153 . 1 1 23 23 LEU HA H 1 5.349 0.020 . 1 . . . . 143 LEU HA . 18200 1 154 . 1 1 23 23 LEU HB2 H 1 2.012 0.020 . 1 . . . . 143 LEU HB2 . 18200 1 155 . 1 1 23 23 LEU HB3 H 1 2.012 0.020 . 1 . . . . 143 LEU HB3 . 18200 1 156 . 1 1 23 23 LEU HG H 1 1.099 0.020 . 1 . . . . 143 LEU HG . 18200 1 157 . 1 1 23 23 LEU HD11 H 1 0.709 0.020 . 2 . . . . 143 LEU HD1 . 18200 1 158 . 1 1 23 23 LEU HD12 H 1 0.709 0.020 . 2 . . . . 143 LEU HD1 . 18200 1 159 . 1 1 23 23 LEU HD13 H 1 0.709 0.020 . 2 . . . . 143 LEU HD1 . 18200 1 160 . 1 1 23 23 LEU HD21 H 1 -0.298 0.020 . 2 . . . . 143 LEU HD2 . 18200 1 161 . 1 1 23 23 LEU HD22 H 1 -0.298 0.020 . 2 . . . . 143 LEU HD2 . 18200 1 162 . 1 1 23 23 LEU HD23 H 1 -0.298 0.020 . 2 . . . . 143 LEU HD2 . 18200 1 163 . 1 1 23 23 LEU C C 13 175.307 0.300 . 1 . . . . 143 LEU C . 18200 1 164 . 1 1 23 23 LEU CA C 13 54.141 0.300 . 1 . . . . 143 LEU CA . 18200 1 165 . 1 1 23 23 LEU CB C 13 43.471 0.300 . 1 . . . . 143 LEU CB . 18200 1 166 . 1 1 23 23 LEU CG C 13 27.343 0.300 . 1 . . . . 143 LEU CG . 18200 1 167 . 1 1 23 23 LEU CD1 C 13 24.368 0.300 . 1 . . . . 143 LEU CD1 . 18200 1 168 . 1 1 23 23 LEU CD2 C 13 25.349 0.300 . 1 . . . . 143 LEU CD2 . 18200 1 169 . 1 1 23 23 LEU N N 15 128.813 0.300 . 1 . . . . 143 LEU N . 18200 1 170 . 1 1 24 24 THR H H 1 9.530 0.020 . 1 . . . . 144 THR H . 18200 1 171 . 1 1 24 24 THR HA H 1 4.971 0.020 . 1 . . . . 144 THR HA . 18200 1 172 . 1 1 24 24 THR HB H 1 3.888 0.020 . 1 . . . . 144 THR HB . 18200 1 173 . 1 1 24 24 THR HG21 H 1 1.087 0.020 . 1 . . . . 144 THR HG2 . 18200 1 174 . 1 1 24 24 THR HG22 H 1 1.087 0.020 . 1 . . . . 144 THR HG2 . 18200 1 175 . 1 1 24 24 THR HG23 H 1 1.087 0.020 . 1 . . . . 144 THR HG2 . 18200 1 176 . 1 1 24 24 THR C C 13 172.852 0.300 . 1 . . . . 144 THR C . 18200 1 177 . 1 1 24 24 THR CA C 13 61.977 0.300 . 1 . . . . 144 THR CA . 18200 1 178 . 1 1 24 24 THR CB C 13 72.119 0.300 . 1 . . . . 144 THR CB . 18200 1 179 . 1 1 24 24 THR CG2 C 13 21.881 0.300 . 1 . . . . 144 THR CG2 . 18200 1 180 . 1 1 24 24 THR N N 15 123.999 0.300 . 1 . . . . 144 THR N . 18200 1 181 . 1 1 25 25 ILE H H 1 9.269 0.020 . 1 . . . . 145 ILE H . 18200 1 182 . 1 1 25 25 ILE HA H 1 4.623 0.020 . 1 . . . . 145 ILE HA . 18200 1 183 . 1 1 25 25 ILE HB H 1 1.895 0.020 . 1 . . . . 145 ILE HB . 18200 1 184 . 1 1 25 25 ILE HG12 H 1 0.952 0.020 . 1 . . . . 145 ILE HG12 . 18200 1 185 . 1 1 25 25 ILE HG13 H 1 0.952 0.020 . 1 . . . . 145 ILE HG13 . 18200 1 186 . 1 1 25 25 ILE HG21 H 1 0.831 0.020 . 1 . . . . 145 ILE HG2 . 18200 1 187 . 1 1 25 25 ILE HG22 H 1 0.831 0.020 . 1 . . . . 145 ILE HG2 . 18200 1 188 . 1 1 25 25 ILE HG23 H 1 0.831 0.020 . 1 . . . . 145 ILE HG2 . 18200 1 189 . 1 1 25 25 ILE HD11 H 1 0.516 0.020 . 1 . . . . 145 ILE HD1 . 18200 1 190 . 1 1 25 25 ILE HD12 H 1 0.516 0.020 . 1 . . . . 145 ILE HD1 . 18200 1 191 . 1 1 25 25 ILE HD13 H 1 0.516 0.020 . 1 . . . . 145 ILE HD1 . 18200 1 192 . 1 1 25 25 ILE C C 13 173.537 0.300 . 1 . . . . 145 ILE C . 18200 1 193 . 1 1 25 25 ILE CA C 13 61.187 0.300 . 1 . . . . 145 ILE CA . 18200 1 194 . 1 1 25 25 ILE CB C 13 40.657 0.300 . 1 . . . . 145 ILE CB . 18200 1 195 . 1 1 25 25 ILE CG1 C 13 19.752 0.300 . 1 . . . . 145 ILE CG1 . 18200 1 196 . 1 1 25 25 ILE CG2 C 13 14.151 0.300 . 1 . . . . 145 ILE CG2 . 18200 1 197 . 1 1 25 25 ILE CD1 C 13 14.406 0.300 . 1 . . . . 145 ILE CD1 . 18200 1 198 . 1 1 25 25 ILE N N 15 124.891 0.300 . 1 . . . . 145 ILE N . 18200 1 199 . 1 1 26 26 ASP H H 1 9.098 0.020 . 1 . . . . 146 ASP H . 18200 1 200 . 1 1 26 26 ASP HA H 1 5.415 0.020 . 1 . . . . 146 ASP HA . 18200 1 201 . 1 1 26 26 ASP HB2 H 1 2.592 0.020 . 2 . . . . 146 ASP HB2 . 18200 1 202 . 1 1 26 26 ASP HB3 H 1 3.031 0.020 . 2 . . . . 146 ASP HB3 . 18200 1 203 . 1 1 26 26 ASP C C 13 176.158 0.300 . 1 . . . . 146 ASP C . 18200 1 204 . 1 1 26 26 ASP CA C 13 49.447 0.300 . 1 . . . . 146 ASP CA . 18200 1 205 . 1 1 26 26 ASP CB C 13 43.270 0.300 . 1 . . . . 146 ASP CB . 18200 1 206 . 1 1 26 26 ASP N N 15 126.660 0.300 . 1 . . . . 146 ASP N . 18200 1 207 . 1 1 27 27 PRO HA H 1 3.984 0.020 . 1 . . . . 147 PRO HA . 18200 1 208 . 1 1 27 27 PRO CA C 13 63.396 0.300 . 1 . . . . 147 PRO CA . 18200 1 209 . 1 1 28 28 VAL H H 1 8.083 0.020 . 1 . . . . 148 VAL H . 18200 1 210 . 1 1 28 28 VAL HA H 1 3.586 0.020 . 1 . . . . 148 VAL HA . 18200 1 211 . 1 1 28 28 VAL HB H 1 1.989 0.020 . 1 . . . . 148 VAL HB . 18200 1 212 . 1 1 28 28 VAL HG11 H 1 0.753 0.020 . 2 . . . . 148 VAL HG1 . 18200 1 213 . 1 1 28 28 VAL HG12 H 1 0.753 0.020 . 2 . . . . 148 VAL HG1 . 18200 1 214 . 1 1 28 28 VAL HG13 H 1 0.753 0.020 . 2 . . . . 148 VAL HG1 . 18200 1 215 . 1 1 28 28 VAL HG21 H 1 0.760 0.020 . 2 . . . . 148 VAL HG2 . 18200 1 216 . 1 1 28 28 VAL HG22 H 1 0.760 0.020 . 2 . . . . 148 VAL HG2 . 18200 1 217 . 1 1 28 28 VAL HG23 H 1 0.760 0.020 . 2 . . . . 148 VAL HG2 . 18200 1 218 . 1 1 28 28 VAL C C 13 177.068 0.300 . 1 . . . . 148 VAL C . 18200 1 219 . 1 1 28 28 VAL CA C 13 65.377 0.300 . 1 . . . . 148 VAL CA . 18200 1 220 . 1 1 28 28 VAL CB C 13 31.320 0.300 . 1 . . . . 148 VAL CB . 18200 1 221 . 1 1 28 28 VAL CG1 C 13 20.374 0.300 . 1 . . . . 148 VAL CG1 . 18200 1 222 . 1 1 28 28 VAL N N 15 123.156 0.300 . 1 . . . . 148 VAL N . 18200 1 223 . 1 1 29 29 ASN H H 1 7.394 0.020 . 1 . . . . 149 ASN H . 18200 1 224 . 1 1 29 29 ASN HA H 1 4.451 0.020 . 1 . . . . 149 ASN HA . 18200 1 225 . 1 1 29 29 ASN HB2 H 1 2.597 0.020 . 1 . . . . 149 ASN HB2 . 18200 1 226 . 1 1 29 29 ASN HB3 H 1 2.272 0.020 . 1 . . . . 149 ASN HB3 . 18200 1 227 . 1 1 29 29 ASN C C 13 173.999 0.300 . 1 . . . . 149 ASN C . 18200 1 228 . 1 1 29 29 ASN CA C 13 52.556 0.300 . 1 . . . . 149 ASN CA . 18200 1 229 . 1 1 29 29 ASN CB C 13 38.531 0.300 . 1 . . . . 149 ASN CB . 18200 1 230 . 1 1 29 29 ASN N N 15 114.586 0.300 . 1 . . . . 149 ASN N . 18200 1 231 . 1 1 30 30 ARG H H 1 7.257 0.020 . 1 . . . . 150 ARG H . 18200 1 232 . 1 1 30 30 ARG HA H 1 2.973 0.020 . 1 . . . . 150 ARG HA . 18200 1 233 . 1 1 30 30 ARG HB2 H 1 1.496 0.020 . 2 . . . . 150 ARG HB2 . 18200 1 234 . 1 1 30 30 ARG HB3 H 1 0.944 0.020 . 2 . . . . 150 ARG HB3 . 18200 1 235 . 1 1 30 30 ARG HG2 H 1 0.802 0.020 . 2 . . . . 150 ARG HG2 . 18200 1 236 . 1 1 30 30 ARG HG3 H 1 0.605 0.020 . 2 . . . . 150 ARG HG3 . 18200 1 237 . 1 1 30 30 ARG HD2 H 1 2.656 0.020 . 1 . . . . 150 ARG HD2 . 18200 1 238 . 1 1 30 30 ARG HD3 H 1 2.656 0.020 . 1 . . . . 150 ARG HD3 . 18200 1 239 . 1 1 30 30 ARG C C 13 174.204 0.300 . 1 . . . . 150 ARG C . 18200 1 240 . 1 1 30 30 ARG CA C 13 56.161 0.300 . 1 . . . . 150 ARG CA . 18200 1 241 . 1 1 30 30 ARG CB C 13 25.343 0.300 . 1 . . . . 150 ARG CB . 18200 1 242 . 1 1 30 30 ARG CG C 13 27.601 0.300 . 1 . . . . 150 ARG CG . 18200 1 243 . 1 1 30 30 ARG CD C 13 42.243 0.300 . 1 . . . . 150 ARG CD . 18200 1 244 . 1 1 30 30 ARG N N 15 117.520 0.300 . 1 . . . . 150 ARG N . 18200 1 245 . 1 1 31 31 GLN H H 1 7.835 0.020 . 1 . . . . 151 GLN H . 18200 1 246 . 1 1 31 31 GLN HA H 1 4.752 0.020 . 1 . . . . 151 GLN HA . 18200 1 247 . 1 1 31 31 GLN HB2 H 1 1.663 0.020 . 1 . . . . 151 GLN HB2 . 18200 1 248 . 1 1 31 31 GLN HB3 H 1 1.663 0.020 . 1 . . . . 151 GLN HB3 . 18200 1 249 . 1 1 31 31 GLN HG2 H 1 2.023 0.020 . 2 . . . . 151 GLN HG2 . 18200 1 250 . 1 1 31 31 GLN HG3 H 1 2.217 0.020 . 2 . . . . 151 GLN HG3 . 18200 1 251 . 1 1 31 31 GLN C C 13 174.127 0.300 . 1 . . . . 151 GLN C . 18200 1 252 . 1 1 31 31 GLN CA C 13 53.538 0.300 . 1 . . . . 151 GLN CA . 18200 1 253 . 1 1 31 31 GLN CB C 13 33.044 0.300 . 1 . . . . 151 GLN CB . 18200 1 254 . 1 1 31 31 GLN CG C 13 33.878 0.300 . 1 . . . . 151 GLN CG . 18200 1 255 . 1 1 31 31 GLN N N 15 116.816 0.300 . 1 . . . . 151 GLN N . 18200 1 256 . 1 1 32 32 VAL H H 1 9.237 0.020 . 1 . . . . 152 VAL H . 18200 1 257 . 1 1 32 32 VAL HA H 1 4.624 0.020 . 1 . . . . 152 VAL HA . 18200 1 258 . 1 1 32 32 VAL HB H 1 2.245 0.020 . 1 . . . . 152 VAL HB . 18200 1 259 . 1 1 32 32 VAL HG11 H 1 1.036 0.020 . 2 . . . . 152 VAL HG1 . 18200 1 260 . 1 1 32 32 VAL HG12 H 1 1.036 0.020 . 2 . . . . 152 VAL HG1 . 18200 1 261 . 1 1 32 32 VAL HG13 H 1 1.036 0.020 . 2 . . . . 152 VAL HG1 . 18200 1 262 . 1 1 32 32 VAL HG21 H 1 0.758 0.020 . 2 . . . . 152 VAL HG2 . 18200 1 263 . 1 1 32 32 VAL HG22 H 1 0.758 0.020 . 2 . . . . 152 VAL HG2 . 18200 1 264 . 1 1 32 32 VAL HG23 H 1 0.758 0.020 . 2 . . . . 152 VAL HG2 . 18200 1 265 . 1 1 32 32 VAL C C 13 173.511 0.300 . 1 . . . . 152 VAL C . 18200 1 266 . 1 1 32 32 VAL CA C 13 61.289 0.300 . 1 . . . . 152 VAL CA . 18200 1 267 . 1 1 32 32 VAL CB C 13 33.832 0.300 . 1 . . . . 152 VAL CB . 18200 1 268 . 1 1 32 32 VAL CG1 C 13 23.355 0.300 . 1 . . . . 152 VAL CG1 . 18200 1 269 . 1 1 32 32 VAL CG2 C 13 21.522 0.300 . 1 . . . . 152 VAL CG2 . 18200 1 270 . 1 1 32 32 VAL N N 15 126.660 0.300 . 1 . . . . 152 VAL N . 18200 1 271 . 1 1 33 33 LEU H H 1 9.033 0.020 . 1 . . . . 153 LEU H . 18200 1 272 . 1 1 33 33 LEU HA H 1 5.198 0.020 . 1 . . . . 153 LEU HA . 18200 1 273 . 1 1 33 33 LEU HB2 H 1 1.674 0.020 . 1 . . . . 153 LEU HB2 . 18200 1 274 . 1 1 33 33 LEU HB3 H 1 1.674 0.020 . 1 . . . . 153 LEU HB3 . 18200 1 275 . 1 1 33 33 LEU HG H 1 1.177 0.020 . 1 . . . . 153 LEU HG . 18200 1 276 . 1 1 33 33 LEU HD11 H 1 0.686 0.020 . 2 . . . . 153 LEU HD1 . 18200 1 277 . 1 1 33 33 LEU HD12 H 1 0.686 0.020 . 2 . . . . 153 LEU HD1 . 18200 1 278 . 1 1 33 33 LEU HD13 H 1 0.686 0.020 . 2 . . . . 153 LEU HD1 . 18200 1 279 . 1 1 33 33 LEU HD21 H 1 0.763 0.020 . 2 . . . . 153 LEU HD2 . 18200 1 280 . 1 1 33 33 LEU HD22 H 1 0.763 0.020 . 2 . . . . 153 LEU HD2 . 18200 1 281 . 1 1 33 33 LEU HD23 H 1 0.763 0.020 . 2 . . . . 153 LEU HD2 . 18200 1 282 . 1 1 33 33 LEU C C 13 175.201 0.300 . 1 . . . . 153 LEU C . 18200 1 283 . 1 1 33 33 LEU CA C 13 52.822 0.300 . 1 . . . . 153 LEU CA . 18200 1 284 . 1 1 33 33 LEU CB C 13 45.488 0.300 . 1 . . . . 153 LEU CB . 18200 1 285 . 1 1 33 33 LEU CD1 C 13 24.262 0.300 . 1 . . . . 153 LEU CD1 . 18200 1 286 . 1 1 33 33 LEU N N 15 127.083 0.300 . 1 . . . . 153 LEU N . 18200 1 287 . 1 1 34 34 LEU H H 1 9.026 0.020 . 1 . . . . 154 LEU H . 18200 1 288 . 1 1 34 34 LEU HA H 1 5.342 0.020 . 1 . . . . 154 LEU HA . 18200 1 289 . 1 1 34 34 LEU HB2 H 1 1.918 0.020 . 1 . . . . 154 LEU HB2 . 18200 1 290 . 1 1 34 34 LEU HB3 H 1 1.918 0.020 . 1 . . . . 154 LEU HB3 . 18200 1 291 . 1 1 34 34 LEU HG H 1 1.537 0.020 . 1 . . . . 154 LEU HG . 18200 1 292 . 1 1 34 34 LEU HD11 H 1 1.166 0.020 . 2 . . . . 154 LEU HD1 . 18200 1 293 . 1 1 34 34 LEU HD12 H 1 1.166 0.020 . 2 . . . . 154 LEU HD1 . 18200 1 294 . 1 1 34 34 LEU HD13 H 1 1.166 0.020 . 2 . . . . 154 LEU HD1 . 18200 1 295 . 1 1 34 34 LEU HD21 H 1 1.035 0.020 . 2 . . . . 154 LEU HD2 . 18200 1 296 . 1 1 34 34 LEU HD22 H 1 1.035 0.020 . 2 . . . . 154 LEU HD2 . 18200 1 297 . 1 1 34 34 LEU HD23 H 1 1.035 0.020 . 2 . . . . 154 LEU HD2 . 18200 1 298 . 1 1 34 34 LEU C C 13 178.080 0.300 . 1 . . . . 154 LEU C . 18200 1 299 . 1 1 34 34 LEU CA C 13 53.012 0.300 . 1 . . . . 154 LEU CA . 18200 1 300 . 1 1 34 34 LEU CB C 13 44.757 0.300 . 1 . . . . 154 LEU CB . 18200 1 301 . 1 1 34 34 LEU CG C 13 27.023 0.300 . 1 . . . . 154 LEU CG . 18200 1 302 . 1 1 34 34 LEU CD1 C 13 23.818 0.300 . 1 . . . . 154 LEU CD1 . 18200 1 303 . 1 1 34 34 LEU N N 15 123.737 0.300 . 1 . . . . 154 LEU N . 18200 1 304 . 1 1 35 35 GLY H H 1 9.741 0.020 . 1 . . . . 155 GLY H . 18200 1 305 . 1 1 35 35 GLY HA2 H 1 4.025 0.020 . 1 . . . . 155 GLY HA2 . 18200 1 306 . 1 1 35 35 GLY HA3 H 1 4.025 0.020 . 1 . . . . 155 GLY HA3 . 18200 1 307 . 1 1 35 35 GLY C C 13 175.877 0.300 . 1 . . . . 155 GLY C . 18200 1 308 . 1 1 35 35 GLY CA C 13 47.091 0.300 . 1 . . . . 155 GLY CA . 18200 1 309 . 1 1 35 35 GLY N N 15 119.346 0.300 . 1 . . . . 155 GLY N . 18200 1 310 . 1 1 36 36 GLY H H 1 8.822 0.020 . 1 . . . . 156 GLY H . 18200 1 311 . 1 1 36 36 GLY HA2 H 1 4.231 0.020 . 2 . . . . 156 GLY HA2 . 18200 1 312 . 1 1 36 36 GLY HA3 H 1 3.568 0.020 . 2 . . . . 156 GLY HA3 . 18200 1 313 . 1 1 36 36 GLY C C 13 173.203 0.300 . 1 . . . . 156 GLY C . 18200 1 314 . 1 1 36 36 GLY CA C 13 44.859 0.300 . 1 . . . . 156 GLY CA . 18200 1 315 . 1 1 36 36 GLY N N 15 105.159 0.300 . 1 . . . . 156 GLY N . 18200 1 316 . 1 1 37 37 GLU H H 1 7.600 0.020 . 1 . . . . 157 GLU H . 18200 1 317 . 1 1 37 37 GLU HA H 1 4.624 0.020 . 1 . . . . 157 GLU HA . 18200 1 318 . 1 1 37 37 GLU HB2 H 1 2.074 0.020 . 1 . . . . 157 GLU HB2 . 18200 1 319 . 1 1 37 37 GLU HB3 H 1 2.074 0.020 . 1 . . . . 157 GLU HB3 . 18200 1 320 . 1 1 37 37 GLU HG2 H 1 2.207 0.020 . 2 . . . . 157 GLU HG2 . 18200 1 321 . 1 1 37 37 GLU HG3 H 1 2.339 0.020 . 2 . . . . 157 GLU HG3 . 18200 1 322 . 1 1 37 37 GLU C C 13 175.354 0.300 . 1 . . . . 157 GLU C . 18200 1 323 . 1 1 37 37 GLU CA C 13 54.309 0.300 . 1 . . . . 157 GLU CA . 18200 1 324 . 1 1 37 37 GLU CB C 13 31.320 0.300 . 1 . . . . 157 GLU CB . 18200 1 325 . 1 1 37 37 GLU CG C 13 35.800 0.300 . 1 . . . . 157 GLU CG . 18200 1 326 . 1 1 37 37 GLU N N 15 119.816 0.300 . 1 . . . . 157 GLU N . 18200 1 327 . 1 1 38 38 ASN H H 1 8.859 0.020 . 1 . . . . 158 ASN H . 18200 1 328 . 1 1 38 38 ASN HA H 1 4.870 0.020 . 1 . . . . 158 ASN HA . 18200 1 329 . 1 1 38 38 ASN HB2 H 1 2.672 0.020 . 2 . . . . 158 ASN HB2 . 18200 1 330 . 1 1 38 38 ASN HB3 H 1 2.598 0.020 . 2 . . . . 158 ASN HB3 . 18200 1 331 . 1 1 38 38 ASN CA C 13 54.578 0.300 . 1 . . . . 158 ASN CA . 18200 1 332 . 1 1 38 38 ASN CB C 13 39.692 0.300 . 1 . . . . 158 ASN CB . 18200 1 333 . 1 1 38 38 ASN N N 15 122.622 0.300 . 1 . . . . 158 ASN N . 18200 1 334 . 1 1 39 39 VAL H H 1 8.775 0.020 . 1 . . . . 159 VAL H . 18200 1 335 . 1 1 39 39 VAL HA H 1 4.135 0.020 . 1 . . . . 159 VAL HA . 18200 1 336 . 1 1 39 39 VAL HB H 1 1.880 0.020 . 1 . . . . 159 VAL HB . 18200 1 337 . 1 1 39 39 VAL HG11 H 1 0.815 0.020 . 1 . . . . 159 VAL HG1 . 18200 1 338 . 1 1 39 39 VAL HG12 H 1 0.815 0.020 . 1 . . . . 159 VAL HG1 . 18200 1 339 . 1 1 39 39 VAL HG13 H 1 0.815 0.020 . 1 . . . . 159 VAL HG1 . 18200 1 340 . 1 1 39 39 VAL HG21 H 1 0.967 0.020 . 1 . . . . 159 VAL HG2 . 18200 1 341 . 1 1 39 39 VAL HG22 H 1 0.967 0.020 . 1 . . . . 159 VAL HG2 . 18200 1 342 . 1 1 39 39 VAL HG23 H 1 0.967 0.020 . 1 . . . . 159 VAL HG2 . 18200 1 343 . 1 1 39 39 VAL C C 13 175.076 0.300 . 1 . . . . 159 VAL C . 18200 1 344 . 1 1 39 39 VAL CA C 13 61.706 0.300 . 1 . . . . 159 VAL CA . 18200 1 345 . 1 1 39 39 VAL CB C 13 32.722 0.300 . 1 . . . . 159 VAL CB . 18200 1 346 . 1 1 39 39 VAL CG1 C 13 21.341 0.300 . 1 . . . . 159 VAL CG1 . 18200 1 347 . 1 1 39 39 VAL N N 15 128.044 0.300 . 1 . . . . 159 VAL N . 18200 1 348 . 1 1 40 40 ALA H H 1 8.762 0.020 . 1 . . . . 160 ALA H . 18200 1 349 . 1 1 40 40 ALA HA H 1 4.451 0.020 . 1 . . . . 160 ALA HA . 18200 1 350 . 1 1 40 40 ALA HB1 H 1 1.324 0.020 . 1 . . . . 160 ALA HB . 18200 1 351 . 1 1 40 40 ALA HB2 H 1 1.324 0.020 . 1 . . . . 160 ALA HB . 18200 1 352 . 1 1 40 40 ALA HB3 H 1 1.324 0.020 . 1 . . . . 160 ALA HB . 18200 1 353 . 1 1 40 40 ALA C C 13 176.564 0.300 . 1 . . . . 160 ALA C . 18200 1 354 . 1 1 40 40 ALA CA C 13 52.246 0.300 . 1 . . . . 160 ALA CA . 18200 1 355 . 1 1 40 40 ALA CB C 13 18.262 0.300 . 1 . . . . 160 ALA CB . 18200 1 356 . 1 1 40 40 ALA N N 15 132.042 0.300 . 1 . . . . 160 ALA N . 18200 1 357 . 1 1 41 41 LEU H H 1 8.298 0.020 . 1 . . . . 161 LEU H . 18200 1 358 . 1 1 41 41 LEU HA H 1 4.970 0.020 . 1 . . . . 161 LEU HA . 18200 1 359 . 1 1 41 41 LEU HB2 H 1 2.393 0.020 . 1 . . . . 161 LEU HB2 . 18200 1 360 . 1 1 41 41 LEU HB3 H 1 2.393 0.020 . 1 . . . . 161 LEU HB3 . 18200 1 361 . 1 1 41 41 LEU HG H 1 1.810 0.020 . 1 . . . . 161 LEU HG . 18200 1 362 . 1 1 41 41 LEU HD11 H 1 0.801 0.020 . 1 . . . . 161 LEU HD1 . 18200 1 363 . 1 1 41 41 LEU HD12 H 1 0.801 0.020 . 1 . . . . 161 LEU HD1 . 18200 1 364 . 1 1 41 41 LEU HD13 H 1 0.801 0.020 . 1 . . . . 161 LEU HD1 . 18200 1 365 . 1 1 41 41 LEU HD21 H 1 0.801 0.020 . 1 . . . . 161 LEU HD2 . 18200 1 366 . 1 1 41 41 LEU HD22 H 1 0.801 0.020 . 1 . . . . 161 LEU HD2 . 18200 1 367 . 1 1 41 41 LEU HD23 H 1 0.801 0.020 . 1 . . . . 161 LEU HD2 . 18200 1 368 . 1 1 41 41 LEU C C 13 177.514 0.300 . 1 . . . . 161 LEU C . 18200 1 369 . 1 1 41 41 LEU CA C 13 53.016 0.300 . 1 . . . . 161 LEU CA . 18200 1 370 . 1 1 41 41 LEU CB C 13 46.178 0.300 . 1 . . . . 161 LEU CB . 18200 1 371 . 1 1 41 41 LEU CG C 13 27.125 0.300 . 1 . . . . 161 LEU CG . 18200 1 372 . 1 1 41 41 LEU CD1 C 13 23.828 0.300 . 1 . . . . 161 LEU CD1 . 18200 1 373 . 1 1 41 41 LEU N N 15 123.636 0.300 . 1 . . . . 161 LEU N . 18200 1 374 . 1 1 42 42 SER H H 1 9.370 0.020 . 1 . . . . 162 SER H . 18200 1 375 . 1 1 42 42 SER HA H 1 4.489 0.020 . 1 . . . . 162 SER HA . 18200 1 376 . 1 1 42 42 SER HB2 H 1 4.300 0.020 . 2 . . . . 162 SER HB2 . 18200 1 377 . 1 1 42 42 SER HB3 H 1 4.040 0.020 . 2 . . . . 162 SER HB3 . 18200 1 378 . 1 1 42 42 SER C C 13 174.454 0.300 . 1 . . . . 162 SER C . 18200 1 379 . 1 1 42 42 SER CA C 13 57.229 0.300 . 1 . . . . 162 SER CA . 18200 1 380 . 1 1 42 42 SER CB C 13 64.527 0.300 . 1 . . . . 162 SER CB . 18200 1 381 . 1 1 42 42 SER N N 15 119.269 0.300 . 1 . . . . 162 SER N . 18200 1 382 . 1 1 43 43 THR H H 1 8.698 0.020 . 1 . . . . 163 THR H . 18200 1 383 . 1 1 43 43 THR HA H 1 4.050 0.020 . 1 . . . . 163 THR HA . 18200 1 384 . 1 1 43 43 THR HB H 1 4.190 0.020 . 1 . . . . 163 THR HB . 18200 1 385 . 1 1 43 43 THR HG21 H 1 1.262 0.020 . 1 . . . . 163 THR HG2 . 18200 1 386 . 1 1 43 43 THR HG22 H 1 1.262 0.020 . 1 . . . . 163 THR HG2 . 18200 1 387 . 1 1 43 43 THR HG23 H 1 1.262 0.020 . 1 . . . . 163 THR HG2 . 18200 1 388 . 1 1 43 43 THR C C 13 175.718 0.300 . 1 . . . . 163 THR C . 18200 1 389 . 1 1 43 43 THR CA C 13 66.104 0.300 . 1 . . . . 163 THR CA . 18200 1 390 . 1 1 43 43 THR CB C 13 68.824 0.300 . 1 . . . . 163 THR CB . 18200 1 391 . 1 1 43 43 THR N N 15 117.304 0.300 . 1 . . . . 163 THR N . 18200 1 392 . 1 1 44 44 ALA H H 1 8.208 0.020 . 1 . . . . 164 ALA H . 18200 1 393 . 1 1 44 44 ALA HA H 1 4.238 0.020 . 1 . . . . 164 ALA HA . 18200 1 394 . 1 1 44 44 ALA HB1 H 1 1.359 0.020 . 1 . . . . 164 ALA HB . 18200 1 395 . 1 1 44 44 ALA HB2 H 1 1.359 0.020 . 1 . . . . 164 ALA HB . 18200 1 396 . 1 1 44 44 ALA HB3 H 1 1.359 0.020 . 1 . . . . 164 ALA HB . 18200 1 397 . 1 1 44 44 ALA C C 13 180.526 0.300 . 1 . . . . 164 ALA C . 18200 1 398 . 1 1 44 44 ALA CA C 13 54.566 0.300 . 1 . . . . 164 ALA CA . 18200 1 399 . 1 1 44 44 ALA CB C 13 18.782 0.300 . 1 . . . . 164 ALA CB . 18200 1 400 . 1 1 44 44 ALA N N 15 121.172 0.300 . 1 . . . . 164 ALA N . 18200 1 401 . 1 1 45 45 ASP H H 1 7.791 0.020 . 1 . . . . 165 ASP H . 18200 1 402 . 1 1 45 45 ASP HA H 1 4.324 0.020 . 1 . . . . 165 ASP HA . 18200 1 403 . 1 1 45 45 ASP HB2 H 1 2.851 0.020 . 2 . . . . 165 ASP HB2 . 18200 1 404 . 1 1 45 45 ASP HB3 H 1 2.495 0.020 . 2 . . . . 165 ASP HB3 . 18200 1 405 . 1 1 45 45 ASP C C 13 178.157 0.300 . 1 . . . . 165 ASP C . 18200 1 406 . 1 1 45 45 ASP CA C 13 57.219 0.300 . 1 . . . . 165 ASP CA . 18200 1 407 . 1 1 45 45 ASP CB C 13 39.208 0.300 . 1 . . . . 165 ASP CB . 18200 1 408 . 1 1 45 45 ASP N N 15 120.908 0.300 . 1 . . . . 165 ASP N . 18200 1 409 . 1 1 46 46 PHE H H 1 8.819 0.020 . 1 . . . . 166 PHE H . 18200 1 410 . 1 1 46 46 PHE HA H 1 3.670 0.020 . 1 . . . . 166 PHE HA . 18200 1 411 . 1 1 46 46 PHE HB2 H 1 3.313 0.020 . 2 . . . . 166 PHE HB2 . 18200 1 412 . 1 1 46 46 PHE HB3 H 1 2.963 0.020 . 2 . . . . 166 PHE HB3 . 18200 1 413 . 1 1 46 46 PHE C C 13 177.206 0.300 . 1 . . . . 166 PHE C . 18200 1 414 . 1 1 46 46 PHE CA C 13 62.538 0.300 . 1 . . . . 166 PHE CA . 18200 1 415 . 1 1 46 46 PHE CB C 13 38.664 0.300 . 1 . . . . 166 PHE CB . 18200 1 416 . 1 1 46 46 PHE N N 15 121.968 0.300 . 1 . . . . 166 PHE N . 18200 1 417 . 1 1 47 47 ASP H H 1 8.362 0.020 . 1 . . . . 167 ASP H . 18200 1 418 . 1 1 47 47 ASP HA H 1 4.504 0.020 . 1 . . . . 167 ASP HA . 18200 1 419 . 1 1 47 47 ASP HB2 H 1 2.831 0.020 . 1 . . . . 167 ASP HB2 . 18200 1 420 . 1 1 47 47 ASP HB3 H 1 2.831 0.020 . 1 . . . . 167 ASP HB3 . 18200 1 421 . 1 1 47 47 ASP C C 13 179.181 0.300 . 1 . . . . 167 ASP C . 18200 1 422 . 1 1 47 47 ASP CA C 13 57.791 0.300 . 1 . . . . 167 ASP CA . 18200 1 423 . 1 1 47 47 ASP CB C 13 39.498 0.300 . 1 . . . . 167 ASP CB . 18200 1 424 . 1 1 47 47 ASP N N 15 119.641 0.300 . 1 . . . . 167 ASP N . 18200 1 425 . 1 1 48 48 LEU H H 1 7.927 0.020 . 1 . . . . 168 LEU H . 18200 1 426 . 1 1 48 48 LEU HA H 1 4.085 0.020 . 1 . . . . 168 LEU HA . 18200 1 427 . 1 1 48 48 LEU HB2 H 1 1.935 0.020 . 1 . . . . 168 LEU HB2 . 18200 1 428 . 1 1 48 48 LEU HB3 H 1 1.935 0.020 . 1 . . . . 168 LEU HB3 . 18200 1 429 . 1 1 48 48 LEU HD11 H 1 0.732 0.020 . 1 . . . . 168 LEU HD1 . 18200 1 430 . 1 1 48 48 LEU HD12 H 1 0.732 0.020 . 1 . . . . 168 LEU HD1 . 18200 1 431 . 1 1 48 48 LEU HD13 H 1 0.732 0.020 . 1 . . . . 168 LEU HD1 . 18200 1 432 . 1 1 48 48 LEU HD21 H 1 0.732 0.020 . 1 . . . . 168 LEU HD2 . 18200 1 433 . 1 1 48 48 LEU HD22 H 1 0.732 0.020 . 1 . . . . 168 LEU HD2 . 18200 1 434 . 1 1 48 48 LEU HD23 H 1 0.732 0.020 . 1 . . . . 168 LEU HD2 . 18200 1 435 . 1 1 48 48 LEU C C 13 177.539 0.300 . 1 . . . . 168 LEU C . 18200 1 436 . 1 1 48 48 LEU CA C 13 58.072 0.300 . 1 . . . . 168 LEU CA . 18200 1 437 . 1 1 48 48 LEU CB C 13 41.725 0.300 . 1 . . . . 168 LEU CB . 18200 1 438 . 1 1 48 48 LEU CD1 C 13 27.301 0.300 . 1 . . . . 168 LEU CD1 . 18200 1 439 . 1 1 48 48 LEU N N 15 122.659 0.300 . 1 . . . . 168 LEU N . 18200 1 440 . 1 1 49 49 LEU H H 1 8.266 0.020 . 1 . . . . 169 LEU H . 18200 1 441 . 1 1 49 49 LEU HA H 1 3.745 0.020 . 1 . . . . 169 LEU HA . 18200 1 442 . 1 1 49 49 LEU HB2 H 1 1.876 0.020 . 1 . . . . 169 LEU HB2 . 18200 1 443 . 1 1 49 49 LEU HB3 H 1 1.876 0.020 . 1 . . . . 169 LEU HB3 . 18200 1 444 . 1 1 49 49 LEU HG H 1 1.356 0.020 . 1 . . . . 169 LEU HG . 18200 1 445 . 1 1 49 49 LEU HD11 H 1 0.708 0.020 . 1 . . . . 169 LEU HD1 . 18200 1 446 . 1 1 49 49 LEU HD12 H 1 0.708 0.020 . 1 . . . . 169 LEU HD1 . 18200 1 447 . 1 1 49 49 LEU HD13 H 1 0.708 0.020 . 1 . . . . 169 LEU HD1 . 18200 1 448 . 1 1 49 49 LEU HD21 H 1 0.708 0.020 . 1 . . . . 169 LEU HD2 . 18200 1 449 . 1 1 49 49 LEU HD22 H 1 0.708 0.020 . 1 . . . . 169 LEU HD2 . 18200 1 450 . 1 1 49 49 LEU HD23 H 1 0.708 0.020 . 1 . . . . 169 LEU HD2 . 18200 1 451 . 1 1 49 49 LEU C C 13 177.488 0.300 . 1 . . . . 169 LEU C . 18200 1 452 . 1 1 49 49 LEU CA C 13 57.869 0.300 . 1 . . . . 169 LEU CA . 18200 1 453 . 1 1 49 49 LEU CB C 13 40.893 0.300 . 1 . . . . 169 LEU CB . 18200 1 454 . 1 1 49 49 LEU CG C 13 27.657 0.300 . 1 . . . . 169 LEU CG . 18200 1 455 . 1 1 49 49 LEU CD1 C 13 22.757 0.300 . 1 . . . . 169 LEU CD1 . 18200 1 456 . 1 1 49 49 LEU N N 15 120.034 0.300 . 1 . . . . 169 LEU N . 18200 1 457 . 1 1 50 50 TRP H H 1 9.087 0.020 . 1 . . . . 170 TRP H . 18200 1 458 . 1 1 50 50 TRP HA H 1 3.807 0.020 . 1 . . . . 170 TRP HA . 18200 1 459 . 1 1 50 50 TRP HB2 H 1 2.930 0.020 . 1 . . . . 170 TRP HB2 . 18200 1 460 . 1 1 50 50 TRP HB3 H 1 2.930 0.020 . 1 . . . . 170 TRP HB3 . 18200 1 461 . 1 1 50 50 TRP HE1 H 1 10.106 0.020 . 1 . . . . 170 TRP HE1 . 18200 1 462 . 1 1 50 50 TRP C C 13 178.961 0.300 . 1 . . . . 170 TRP C . 18200 1 463 . 1 1 50 50 TRP CA C 13 60.277 0.300 . 1 . . . . 170 TRP CA . 18200 1 464 . 1 1 50 50 TRP CB C 13 29.044 0.300 . 1 . . . . 170 TRP CB . 18200 1 465 . 1 1 50 50 TRP N N 15 118.691 0.300 . 1 . . . . 170 TRP N . 18200 1 466 . 1 1 51 51 GLU H H 1 7.941 0.020 . 1 . . . . 171 GLU H . 18200 1 467 . 1 1 51 51 GLU HA H 1 3.855 0.020 . 1 . . . . 171 GLU HA . 18200 1 468 . 1 1 51 51 GLU HB2 H 1 2.141 0.020 . 1 . . . . 171 GLU HB2 . 18200 1 469 . 1 1 51 51 GLU HB3 H 1 2.141 0.020 . 1 . . . . 171 GLU HB3 . 18200 1 470 . 1 1 51 51 GLU HG2 H 1 2.431 0.020 . 1 . . . . 171 GLU HG2 . 18200 1 471 . 1 1 51 51 GLU HG3 H 1 2.431 0.020 . 1 . . . . 171 GLU HG3 . 18200 1 472 . 1 1 51 51 GLU C C 13 178.824 0.300 . 1 . . . . 171 GLU C . 18200 1 473 . 1 1 51 51 GLU CA C 13 59.347 0.300 . 1 . . . . 171 GLU CA . 18200 1 474 . 1 1 51 51 GLU CB C 13 29.566 0.300 . 1 . . . . 171 GLU CB . 18200 1 475 . 1 1 51 51 GLU CG C 13 35.604 0.300 . 1 . . . . 171 GLU CG . 18200 1 476 . 1 1 51 51 GLU N N 15 119.799 0.300 . 1 . . . . 171 GLU N . 18200 1 477 . 1 1 52 52 LEU H H 1 7.889 0.020 . 1 . . . . 172 LEU H . 18200 1 478 . 1 1 52 52 LEU HA H 1 3.847 0.020 . 1 . . . . 172 LEU HA . 18200 1 479 . 1 1 52 52 LEU HB2 H 1 1.857 0.020 . 1 . . . . 172 LEU HB2 . 18200 1 480 . 1 1 52 52 LEU HB3 H 1 1.857 0.020 . 1 . . . . 172 LEU HB3 . 18200 1 481 . 1 1 52 52 LEU HG H 1 1.204 0.020 . 1 . . . . 172 LEU HG . 18200 1 482 . 1 1 52 52 LEU HD11 H 1 0.691 0.020 . 1 . . . . 172 LEU HD1 . 18200 1 483 . 1 1 52 52 LEU HD12 H 1 0.691 0.020 . 1 . . . . 172 LEU HD1 . 18200 1 484 . 1 1 52 52 LEU HD13 H 1 0.691 0.020 . 1 . . . . 172 LEU HD1 . 18200 1 485 . 1 1 52 52 LEU HD21 H 1 0.691 0.020 . 1 . . . . 172 LEU HD2 . 18200 1 486 . 1 1 52 52 LEU HD22 H 1 0.691 0.020 . 1 . . . . 172 LEU HD2 . 18200 1 487 . 1 1 52 52 LEU HD23 H 1 0.691 0.020 . 1 . . . . 172 LEU HD2 . 18200 1 488 . 1 1 52 52 LEU C C 13 178.209 0.300 . 1 . . . . 172 LEU C . 18200 1 489 . 1 1 52 52 LEU CA C 13 58.297 0.300 . 1 . . . . 172 LEU CA . 18200 1 490 . 1 1 52 52 LEU CB C 13 42.403 0.300 . 1 . . . . 172 LEU CB . 18200 1 491 . 1 1 52 52 LEU CG C 13 25.965 0.300 . 1 . . . . 172 LEU CG . 18200 1 492 . 1 1 52 52 LEU N N 15 119.561 0.300 . 1 . . . . 172 LEU N . 18200 1 493 . 1 1 53 53 ALA H H 1 8.586 0.020 . 1 . . . . 173 ALA H . 18200 1 494 . 1 1 53 53 ALA HA H 1 2.326 0.020 . 1 . . . . 173 ALA HA . 18200 1 495 . 1 1 53 53 ALA HB1 H 1 0.334 0.020 . 1 . . . . 173 ALA HB . 18200 1 496 . 1 1 53 53 ALA HB2 H 1 0.334 0.020 . 1 . . . . 173 ALA HB . 18200 1 497 . 1 1 53 53 ALA HB3 H 1 0.334 0.020 . 1 . . . . 173 ALA HB . 18200 1 498 . 1 1 53 53 ALA C C 13 180.090 0.300 . 1 . . . . 173 ALA C . 18200 1 499 . 1 1 53 53 ALA CA C 13 54.237 0.300 . 1 . . . . 173 ALA CA . 18200 1 500 . 1 1 53 53 ALA CB C 13 18.247 0.300 . 1 . . . . 173 ALA CB . 18200 1 501 . 1 1 53 53 ALA N N 15 119.897 0.300 . 1 . . . . 173 ALA N . 18200 1 502 . 1 1 54 54 THR H H 1 7.568 0.020 . 1 . . . . 174 THR H . 18200 1 503 . 1 1 54 54 THR HA H 1 3.629 0.020 . 1 . . . . 174 THR HA . 18200 1 504 . 1 1 54 54 THR HB H 1 3.718 0.020 . 1 . . . . 174 THR HB . 18200 1 505 . 1 1 54 54 THR HG21 H 1 -0.046 0.020 . 1 . . . . 174 THR HG2 . 18200 1 506 . 1 1 54 54 THR HG22 H 1 -0.046 0.020 . 1 . . . . 174 THR HG2 . 18200 1 507 . 1 1 54 54 THR HG23 H 1 -0.046 0.020 . 1 . . . . 174 THR HG2 . 18200 1 508 . 1 1 54 54 THR C C 13 174.487 0.300 . 1 . . . . 174 THR C . 18200 1 509 . 1 1 54 54 THR CA C 13 63.089 0.300 . 1 . . . . 174 THR CA . 18200 1 510 . 1 1 54 54 THR CB C 13 69.223 0.300 . 1 . . . . 174 THR CB . 18200 1 511 . 1 1 54 54 THR CG2 C 13 20.943 0.300 . 1 . . . . 174 THR CG2 . 18200 1 512 . 1 1 54 54 THR N N 15 106.101 0.300 . 1 . . . . 174 THR N . 18200 1 513 . 1 1 55 55 HIS H H 1 7.018 0.020 . 1 . . . . 175 HIS H . 18200 1 514 . 1 1 55 55 HIS HA H 1 4.624 0.020 . 1 . . . . 175 HIS HA . 18200 1 515 . 1 1 55 55 HIS HB2 H 1 3.449 0.020 . 2 . . . . 175 HIS HB2 . 18200 1 516 . 1 1 55 55 HIS HB3 H 1 2.939 0.020 . 2 . . . . 175 HIS HB3 . 18200 1 517 . 1 1 55 55 HIS HD2 H 1 7.228 0.020 . 1 . . . . 175 HIS HD2 . 18200 1 518 . 1 1 55 55 HIS C C 13 173.976 0.300 . 1 . . . . 175 HIS C . 18200 1 519 . 1 1 55 55 HIS CA C 13 54.869 0.300 . 1 . . . . 175 HIS CA . 18200 1 520 . 1 1 55 55 HIS CB C 13 28.583 0.300 . 1 . . . . 175 HIS CB . 18200 1 521 . 1 1 55 55 HIS CD2 C 13 112.901 0.300 . 1 . . . . 175 HIS CD2 . 18200 1 522 . 1 1 55 55 HIS N N 15 119.755 0.300 . 1 . . . . 175 HIS N . 18200 1 523 . 1 1 56 56 ALA H H 1 6.843 0.020 . 1 . . . . 176 ALA H . 18200 1 524 . 1 1 56 56 ALA HA H 1 4.190 0.020 . 1 . . . . 176 ALA HA . 18200 1 525 . 1 1 56 56 ALA HB1 H 1 1.427 0.020 . 1 . . . . 176 ALA HB . 18200 1 526 . 1 1 56 56 ALA HB2 H 1 1.427 0.020 . 1 . . . . 176 ALA HB . 18200 1 527 . 1 1 56 56 ALA HB3 H 1 1.427 0.020 . 1 . . . . 176 ALA HB . 18200 1 528 . 1 1 56 56 ALA C C 13 179.064 0.300 . 1 . . . . 176 ALA C . 18200 1 529 . 1 1 56 56 ALA CA C 13 54.531 0.300 . 1 . . . . 176 ALA CA . 18200 1 530 . 1 1 56 56 ALA CB C 13 19.363 0.300 . 1 . . . . 176 ALA CB . 18200 1 531 . 1 1 56 56 ALA N N 15 121.377 0.300 . 1 . . . . 176 ALA N . 18200 1 532 . 1 1 57 57 GLY H H 1 9.192 0.020 . 1 . . . . 177 GLY H . 18200 1 533 . 1 1 57 57 GLY HA2 H 1 3.648 0.020 . 1 . . . . 177 GLY HA2 . 18200 1 534 . 1 1 57 57 GLY HA3 H 1 4.304 0.020 . 1 . . . . 177 GLY HA3 . 18200 1 535 . 1 1 57 57 GLY C C 13 172.662 0.300 . 1 . . . . 177 GLY C . 18200 1 536 . 1 1 57 57 GLY CA C 13 45.288 0.300 . 1 . . . . 177 GLY CA . 18200 1 537 . 1 1 57 57 GLY N N 15 109.492 0.300 . 1 . . . . 177 GLY N . 18200 1 538 . 1 1 58 58 GLN H H 1 8.269 0.020 . 1 . . . . 178 GLN H . 18200 1 539 . 1 1 58 58 GLN HA H 1 4.609 0.020 . 1 . . . . 178 GLN HA . 18200 1 540 . 1 1 58 58 GLN HB2 H 1 2.121 0.020 . 1 . . . . 178 GLN HB2 . 18200 1 541 . 1 1 58 58 GLN HB3 H 1 2.121 0.020 . 1 . . . . 178 GLN HB3 . 18200 1 542 . 1 1 58 58 GLN C C 13 174.692 0.300 . 1 . . . . 178 GLN C . 18200 1 543 . 1 1 58 58 GLN CA C 13 53.913 0.300 . 1 . . . . 178 GLN CA . 18200 1 544 . 1 1 58 58 GLN CB C 13 30.366 0.300 . 1 . . . . 178 GLN CB . 18200 1 545 . 1 1 58 58 GLN N N 15 119.445 0.300 . 1 . . . . 178 GLN N . 18200 1 546 . 1 1 59 59 ILE H H 1 8.639 0.020 . 1 . . . . 179 ILE H . 18200 1 547 . 1 1 59 59 ILE HA H 1 3.815 0.020 . 1 . . . . 179 ILE HA . 18200 1 548 . 1 1 59 59 ILE HB H 1 1.636 0.020 . 1 . . . . 179 ILE HB . 18200 1 549 . 1 1 59 59 ILE HG12 H 1 0.735 0.020 . 1 . . . . 179 ILE HG12 . 18200 1 550 . 1 1 59 59 ILE HG13 H 1 0.735 0.020 . 1 . . . . 179 ILE HG13 . 18200 1 551 . 1 1 59 59 ILE HD11 H 1 0.539 0.020 . 1 . . . . 179 ILE HD1 . 18200 1 552 . 1 1 59 59 ILE HD12 H 1 0.539 0.020 . 1 . . . . 179 ILE HD1 . 18200 1 553 . 1 1 59 59 ILE HD13 H 1 0.539 0.020 . 1 . . . . 179 ILE HD1 . 18200 1 554 . 1 1 59 59 ILE C C 13 176.157 0.300 . 1 . . . . 179 ILE C . 18200 1 555 . 1 1 59 59 ILE CA C 13 62.450 0.300 . 1 . . . . 179 ILE CA . 18200 1 556 . 1 1 59 59 ILE CB C 13 37.756 0.300 . 1 . . . . 179 ILE CB . 18200 1 557 . 1 1 59 59 ILE CG1 C 13 29.054 0.300 . 1 . . . . 179 ILE CG1 . 18200 1 558 . 1 1 59 59 ILE CD1 C 13 17.667 0.300 . 1 . . . . 179 ILE CD1 . 18200 1 559 . 1 1 59 59 ILE N N 15 122.694 0.300 . 1 . . . . 179 ILE N . 18200 1 560 . 1 1 60 60 MET H H 1 9.378 0.020 . 1 . . . . 180 MET H . 18200 1 561 . 1 1 60 60 MET HA H 1 4.813 0.020 . 1 . . . . 180 MET HA . 18200 1 562 . 1 1 60 60 MET HB2 H 1 1.974 0.020 . 1 . . . . 180 MET HB2 . 18200 1 563 . 1 1 60 60 MET HB3 H 1 1.974 0.020 . 1 . . . . 180 MET HB3 . 18200 1 564 . 1 1 60 60 MET HG2 H 1 2.409 0.020 . 1 . . . . 180 MET HG2 . 18200 1 565 . 1 1 60 60 MET HG3 H 1 2.409 0.020 . 1 . . . . 180 MET HG3 . 18200 1 566 . 1 1 60 60 MET C C 13 174.792 0.300 . 1 . . . . 180 MET C . 18200 1 567 . 1 1 60 60 MET CA C 13 53.124 0.300 . 1 . . . . 180 MET CA . 18200 1 568 . 1 1 60 60 MET CB C 13 32.925 0.300 . 1 . . . . 180 MET CB . 18200 1 569 . 1 1 60 60 MET CG C 13 31.991 0.300 . 1 . . . . 180 MET CG . 18200 1 570 . 1 1 60 60 MET N N 15 128.960 0.300 . 1 . . . . 180 MET N . 18200 1 571 . 1 1 61 61 ASP H H 1 8.422 0.020 . 1 . . . . 181 ASP H . 18200 1 572 . 1 1 61 61 ASP HA H 1 4.761 0.020 . 1 . . . . 181 ASP HA . 18200 1 573 . 1 1 61 61 ASP HB2 H 1 2.916 0.020 . 1 . . . . 181 ASP HB2 . 18200 1 574 . 1 1 61 61 ASP HB3 H 1 2.916 0.020 . 1 . . . . 181 ASP HB3 . 18200 1 575 . 1 1 61 61 ASP C C 13 176.169 0.300 . 1 . . . . 181 ASP C . 18200 1 576 . 1 1 61 61 ASP CA C 13 52.912 0.300 . 1 . . . . 181 ASP CA . 18200 1 577 . 1 1 61 61 ASP CB C 13 42.094 0.300 . 1 . . . . 181 ASP CB . 18200 1 578 . 1 1 61 61 ASP N N 15 123.530 0.300 . 1 . . . . 181 ASP N . 18200 1 579 . 1 1 62 62 ARG H H 1 8.729 0.020 . 1 . . . . 182 ARG H . 18200 1 580 . 1 1 62 62 ARG HA H 1 3.851 0.020 . 1 . . . . 182 ARG HA . 18200 1 581 . 1 1 62 62 ARG HB2 H 1 1.883 0.020 . 1 . . . . 182 ARG HB2 . 18200 1 582 . 1 1 62 62 ARG HB3 H 1 1.883 0.020 . 1 . . . . 182 ARG HB3 . 18200 1 583 . 1 1 62 62 ARG HG2 H 1 1.656 0.020 . 1 . . . . 182 ARG HG2 . 18200 1 584 . 1 1 62 62 ARG HG3 H 1 1.656 0.020 . 1 . . . . 182 ARG HG3 . 18200 1 585 . 1 1 62 62 ARG HD2 H 1 3.373 0.020 . 1 . . . . 182 ARG HD2 . 18200 1 586 . 1 1 62 62 ARG HD3 H 1 3.373 0.020 . 1 . . . . 182 ARG HD3 . 18200 1 587 . 1 1 62 62 ARG HE H 1 7.750 0.020 . 1 . . . . 182 ARG HE . 18200 1 588 . 1 1 62 62 ARG C C 13 177.334 0.300 . 1 . . . . 182 ARG C . 18200 1 589 . 1 1 62 62 ARG CA C 13 60.521 0.300 . 1 . . . . 182 ARG CA . 18200 1 590 . 1 1 62 62 ARG CB C 13 30.202 0.300 . 1 . . . . 182 ARG CB . 18200 1 591 . 1 1 62 62 ARG CD C 13 43.413 0.300 . 1 . . . . 182 ARG CD . 18200 1 592 . 1 1 62 62 ARG N N 15 120.426 0.300 . 1 . . . . 182 ARG N . 18200 1 593 . 1 1 63 63 ASP H H 1 8.325 0.020 . 1 . . . . 183 ASP H . 18200 1 594 . 1 1 63 63 ASP HA H 1 4.364 0.020 . 1 . . . . 183 ASP HA . 18200 1 595 . 1 1 63 63 ASP HB2 H 1 2.672 0.020 . 1 . . . . 183 ASP HB2 . 18200 1 596 . 1 1 63 63 ASP HB3 H 1 2.672 0.020 . 1 . . . . 183 ASP HB3 . 18200 1 597 . 1 1 63 63 ASP C C 13 178.291 0.300 . 1 . . . . 183 ASP C . 18200 1 598 . 1 1 63 63 ASP CA C 13 57.398 0.300 . 1 . . . . 183 ASP CA . 18200 1 599 . 1 1 63 63 ASP CB C 13 40.079 0.300 . 1 . . . . 183 ASP CB . 18200 1 600 . 1 1 63 63 ASP N N 15 117.404 0.300 . 1 . . . . 183 ASP N . 18200 1 601 . 1 1 64 64 ALA H H 1 7.953 0.020 . 1 . . . . 184 ALA H . 18200 1 602 . 1 1 64 64 ALA HA H 1 4.064 0.020 . 1 . . . . 184 ALA HA . 18200 1 603 . 1 1 64 64 ALA HB1 H 1 1.452 0.020 . 1 . . . . 184 ALA HB . 18200 1 604 . 1 1 64 64 ALA HB2 H 1 1.452 0.020 . 1 . . . . 184 ALA HB . 18200 1 605 . 1 1 64 64 ALA HB3 H 1 1.452 0.020 . 1 . . . . 184 ALA HB . 18200 1 606 . 1 1 64 64 ALA C C 13 180.393 0.300 . 1 . . . . 184 ALA C . 18200 1 607 . 1 1 64 64 ALA CA C 13 54.388 0.300 . 1 . . . . 184 ALA CA . 18200 1 608 . 1 1 64 64 ALA CB C 13 18.501 0.300 . 1 . . . . 184 ALA CB . 18200 1 609 . 1 1 64 64 ALA N N 15 123.020 0.300 . 1 . . . . 184 ALA N . 18200 1 610 . 1 1 65 65 LEU H H 1 7.905 0.020 . 1 . . . . 185 LEU H . 18200 1 611 . 1 1 65 65 LEU HA H 1 3.985 0.020 . 1 . . . . 185 LEU HA . 18200 1 612 . 1 1 65 65 LEU HB2 H 1 1.884 0.020 . 1 . . . . 185 LEU HB2 . 18200 1 613 . 1 1 65 65 LEU HB3 H 1 1.884 0.020 . 1 . . . . 185 LEU HB3 . 18200 1 614 . 1 1 65 65 LEU HG H 1 1.284 0.020 . 1 . . . . 185 LEU HG . 18200 1 615 . 1 1 65 65 LEU HD11 H 1 0.749 0.020 . 1 . . . . 185 LEU HD1 . 18200 1 616 . 1 1 65 65 LEU HD12 H 1 0.749 0.020 . 1 . . . . 185 LEU HD1 . 18200 1 617 . 1 1 65 65 LEU HD13 H 1 0.749 0.020 . 1 . . . . 185 LEU HD1 . 18200 1 618 . 1 1 65 65 LEU HD21 H 1 0.749 0.020 . 1 . . . . 185 LEU HD2 . 18200 1 619 . 1 1 65 65 LEU HD22 H 1 0.749 0.020 . 1 . . . . 185 LEU HD2 . 18200 1 620 . 1 1 65 65 LEU HD23 H 1 0.749 0.020 . 1 . . . . 185 LEU HD2 . 18200 1 621 . 1 1 65 65 LEU C C 13 178.354 0.300 . 1 . . . . 185 LEU C . 18200 1 622 . 1 1 65 65 LEU CA C 13 57.005 0.300 . 1 . . . . 185 LEU CA . 18200 1 623 . 1 1 65 65 LEU CB C 13 42.015 0.300 . 1 . . . . 185 LEU CB . 18200 1 624 . 1 1 65 65 LEU CG C 13 24.918 0.300 . 1 . . . . 185 LEU CG . 18200 1 625 . 1 1 65 65 LEU CD1 C 13 25.859 0.300 . 1 . . . . 185 LEU CD1 . 18200 1 626 . 1 1 65 65 LEU N N 15 117.184 0.300 . 1 . . . . 185 LEU N . 18200 1 627 . 1 1 66 66 LEU H H 1 8.052 0.020 . 1 . . . . 186 LEU H . 18200 1 628 . 1 1 66 66 LEU HA H 1 3.984 0.020 . 1 . . . . 186 LEU HA . 18200 1 629 . 1 1 66 66 LEU HB2 H 1 1.755 0.020 . 1 . . . . 186 LEU HB2 . 18200 1 630 . 1 1 66 66 LEU HB3 H 1 1.755 0.020 . 1 . . . . 186 LEU HB3 . 18200 1 631 . 1 1 66 66 LEU HG H 1 1.615 0.020 . 1 . . . . 186 LEU HG . 18200 1 632 . 1 1 66 66 LEU HD11 H 1 0.824 0.020 . 2 . . . . 186 LEU HD1 . 18200 1 633 . 1 1 66 66 LEU HD12 H 1 0.824 0.020 . 2 . . . . 186 LEU HD1 . 18200 1 634 . 1 1 66 66 LEU HD13 H 1 0.824 0.020 . 2 . . . . 186 LEU HD1 . 18200 1 635 . 1 1 66 66 LEU HD21 H 1 0.880 0.020 . 2 . . . . 186 LEU HD2 . 18200 1 636 . 1 1 66 66 LEU HD22 H 1 0.880 0.020 . 2 . . . . 186 LEU HD2 . 18200 1 637 . 1 1 66 66 LEU HD23 H 1 0.880 0.020 . 2 . . . . 186 LEU HD2 . 18200 1 638 . 1 1 66 66 LEU C C 13 179.064 0.300 . 1 . . . . 186 LEU C . 18200 1 639 . 1 1 66 66 LEU CA C 13 56.763 0.300 . 1 . . . . 186 LEU CA . 18200 1 640 . 1 1 66 66 LEU CB C 13 41.775 0.300 . 1 . . . . 186 LEU CB . 18200 1 641 . 1 1 66 66 LEU CG C 13 26.829 0.300 . 1 . . . . 186 LEU CG . 18200 1 642 . 1 1 66 66 LEU CD1 C 13 24.250 0.300 . 1 . . . . 186 LEU CD1 . 18200 1 643 . 1 1 66 66 LEU N N 15 117.983 0.300 . 1 . . . . 186 LEU N . 18200 1 644 . 1 1 67 67 LYS H H 1 7.708 0.020 . 1 . . . . 187 LYS H . 18200 1 645 . 1 1 67 67 LYS HA H 1 3.982 0.020 . 1 . . . . 187 LYS HA . 18200 1 646 . 1 1 67 67 LYS HB2 H 1 1.813 0.020 . 2 . . . . 187 LYS HB2 . 18200 1 647 . 1 1 67 67 LYS HB3 H 1 1.867 0.020 . 2 . . . . 187 LYS HB3 . 18200 1 648 . 1 1 67 67 LYS HG2 H 1 1.430 0.020 . 1 . . . . 187 LYS HG2 . 18200 1 649 . 1 1 67 67 LYS HG3 H 1 1.430 0.020 . 1 . . . . 187 LYS HG3 . 18200 1 650 . 1 1 67 67 LYS HD2 H 1 1.631 0.020 . 1 . . . . 187 LYS HD2 . 18200 1 651 . 1 1 67 67 LYS HD3 H 1 1.631 0.020 . 1 . . . . 187 LYS HD3 . 18200 1 652 . 1 1 67 67 LYS HE2 H 1 2.940 0.020 . 1 . . . . 187 LYS HE2 . 18200 1 653 . 1 1 67 67 LYS HE3 H 1 2.940 0.020 . 1 . . . . 187 LYS HE3 . 18200 1 654 . 1 1 67 67 LYS C C 13 178.052 0.300 . 1 . . . . 187 LYS C . 18200 1 655 . 1 1 67 67 LYS CA C 13 58.897 0.300 . 1 . . . . 187 LYS CA . 18200 1 656 . 1 1 67 67 LYS CB C 13 32.104 0.300 . 1 . . . . 187 LYS CB . 18200 1 657 . 1 1 67 67 LYS CG C 13 27.243 0.300 . 1 . . . . 187 LYS CG . 18200 1 658 . 1 1 67 67 LYS CD C 13 28.72 0.300 . 1 . . . . 187 LYS CD . 18200 1 659 . 1 1 67 67 LYS N N 15 118.745 0.300 . 1 . . . . 187 LYS N . 18200 1 660 . 1 1 68 68 ASN H H 1 7.954 0.020 . 1 . . . . 188 ASN H . 18200 1 661 . 1 1 68 68 ASN HA H 1 4.653 0.020 . 1 . . . . 188 ASN HA . 18200 1 662 . 1 1 68 68 ASN HB2 H 1 2.871 0.020 . 2 . . . . 188 ASN HB2 . 18200 1 663 . 1 1 68 68 ASN HB3 H 1 2.641 0.020 . 2 . . . . 188 ASN HB3 . 18200 1 664 . 1 1 68 68 ASN HD21 H 1 7.102 0.020 . 2 . . . . 188 ASN HD21 . 18200 1 665 . 1 1 68 68 ASN HD22 H 1 7.675 0.020 . 2 . . . . 188 ASN HD22 . 18200 1 666 . 1 1 68 68 ASN C C 13 175.618 0.300 . 1 . . . . 188 ASN C . 18200 1 667 . 1 1 68 68 ASN CA C 13 54.017 0.300 . 1 . . . . 188 ASN CA . 18200 1 668 . 1 1 68 68 ASN CB C 13 38.918 0.300 . 1 . . . . 188 ASN CB . 18200 1 669 . 1 1 68 68 ASN N N 15 115.653 0.300 . 1 . . . . 188 ASN N . 18200 1 670 . 1 1 68 68 ASN ND2 N 15 113.523 0.300 . 1 . . . . 188 ASN ND2 . 18200 1 671 . 1 1 69 69 LEU H H 1 7.733 0.020 . 1 . . . . 189 LEU H . 18200 1 672 . 1 1 69 69 LEU HA H 1 4.405 0.020 . 1 . . . . 189 LEU HA . 18200 1 673 . 1 1 69 69 LEU HB2 H 1 1.718 0.020 . 1 . . . . 189 LEU HB2 . 18200 1 674 . 1 1 69 69 LEU HB3 H 1 1.718 0.020 . 1 . . . . 189 LEU HB3 . 18200 1 675 . 1 1 69 69 LEU HG H 1 1.572 0.020 . 1 . . . . 189 LEU HG . 18200 1 676 . 1 1 69 69 LEU HD11 H 1 0.814 0.020 . 1 . . . . 189 LEU HD1 . 18200 1 677 . 1 1 69 69 LEU HD12 H 1 0.814 0.020 . 1 . . . . 189 LEU HD1 . 18200 1 678 . 1 1 69 69 LEU HD13 H 1 0.814 0.020 . 1 . . . . 189 LEU HD1 . 18200 1 679 . 1 1 69 69 LEU HD21 H 1 0.814 0.020 . 1 . . . . 189 LEU HD2 . 18200 1 680 . 1 1 69 69 LEU HD22 H 1 0.814 0.020 . 1 . . . . 189 LEU HD2 . 18200 1 681 . 1 1 69 69 LEU HD23 H 1 0.814 0.020 . 1 . . . . 189 LEU HD2 . 18200 1 682 . 1 1 69 69 LEU C C 13 177.153 0.300 . 1 . . . . 189 LEU C . 18200 1 683 . 1 1 69 69 LEU CA C 13 55.206 0.300 . 1 . . . . 189 LEU CA . 18200 1 684 . 1 1 69 69 LEU CB C 13 42.015 0.300 . 1 . . . . 189 LEU CB . 18200 1 685 . 1 1 69 69 LEU CG C 13 25.607 0.300 . 1 . . . . 189 LEU CG . 18200 1 686 . 1 1 69 69 LEU CD1 C 13 23.363 0.300 . 1 . . . . 189 LEU CD1 . 18200 1 687 . 1 1 69 69 LEU N N 15 120.214 0.300 . 1 . . . . 189 LEU N . 18200 1 688 . 1 1 70 70 ARG H H 1 8.127 0.020 . 1 . . . . 190 ARG H . 18200 1 689 . 1 1 70 70 ARG HA H 1 4.385 0.020 . 1 . . . . 190 ARG HA . 18200 1 690 . 1 1 70 70 ARG HB2 H 1 1.845 0.020 . 1 . . . . 190 ARG HB2 . 18200 1 691 . 1 1 70 70 ARG HB3 H 1 1.845 0.020 . 1 . . . . 190 ARG HB3 . 18200 1 692 . 1 1 70 70 ARG HG2 H 1 1.615 0.020 . 1 . . . . 190 ARG HG2 . 18200 1 693 . 1 1 70 70 ARG HG3 H 1 1.615 0.020 . 1 . . . . 190 ARG HG3 . 18200 1 694 . 1 1 70 70 ARG HD2 H 1 3.154 0.020 . 1 . . . . 190 ARG HD2 . 18200 1 695 . 1 1 70 70 ARG HD3 H 1 3.154 0.020 . 1 . . . . 190 ARG HD3 . 18200 1 696 . 1 1 70 70 ARG C C 13 177.057 0.300 . 1 . . . . 190 ARG C . 18200 1 697 . 1 1 70 70 ARG CA C 13 56.245 0.300 . 1 . . . . 190 ARG CA . 18200 1 698 . 1 1 70 70 ARG CB C 13 30.764 0.300 . 1 . . . . 190 ARG CB . 18200 1 699 . 1 1 70 70 ARG CG C 13 27.443 0.300 . 1 . . . . 190 ARG CG . 18200 1 700 . 1 1 70 70 ARG CD C 13 43.147 0.300 . 1 . . . . 190 ARG CD . 18200 1 701 . 1 1 70 70 ARG N N 15 119.518 0.300 . 1 . . . . 190 ARG N . 18200 1 702 . 1 1 71 71 GLY H H 1 8.432 0.020 . 1 . . . . 191 GLY H . 18200 1 703 . 1 1 71 71 GLY HA2 H 1 3.991 0.020 . 2 . . . . 191 GLY HA2 . 18200 1 704 . 1 1 71 71 GLY HA3 H 1 3.900 0.020 . 2 . . . . 191 GLY HA3 . 18200 1 705 . 1 1 71 71 GLY C C 13 174.384 0.300 . 1 . . . . 191 GLY C . 18200 1 706 . 1 1 71 71 GLY CA C 13 45.355 0.300 . 1 . . . . 191 GLY CA . 18200 1 707 . 1 1 71 71 GLY N N 15 109.421 0.300 . 1 . . . . 191 GLY N . 18200 1 708 . 1 1 72 72 VAL H H 1 7.758 0.020 . 1 . . . . 192 VAL H . 18200 1 709 . 1 1 72 72 VAL HA H 1 4.188 0.020 . 1 . . . . 192 VAL HA . 18200 1 710 . 1 1 72 72 VAL HB H 1 2.054 0.020 . 1 . . . . 192 VAL HB . 18200 1 711 . 1 1 72 72 VAL HG11 H 1 0.839 0.020 . 1 . . . . 192 VAL HG1 . 18200 1 712 . 1 1 72 72 VAL HG12 H 1 0.839 0.020 . 1 . . . . 192 VAL HG1 . 18200 1 713 . 1 1 72 72 VAL HG13 H 1 0.839 0.020 . 1 . . . . 192 VAL HG1 . 18200 1 714 . 1 1 72 72 VAL HG21 H 1 0.839 0.020 . 1 . . . . 192 VAL HG2 . 18200 1 715 . 1 1 72 72 VAL HG22 H 1 0.839 0.020 . 1 . . . . 192 VAL HG2 . 18200 1 716 . 1 1 72 72 VAL HG23 H 1 0.839 0.020 . 1 . . . . 192 VAL HG2 . 18200 1 717 . 1 1 72 72 VAL C C 13 175.905 0.300 . 1 . . . . 192 VAL C . 18200 1 718 . 1 1 72 72 VAL CA C 13 61.722 0.300 . 1 . . . . 192 VAL CA . 18200 1 719 . 1 1 72 72 VAL CB C 13 33.000 0.300 . 1 . . . . 192 VAL CB . 18200 1 720 . 1 1 72 72 VAL CG1 C 13 20.339 0.300 . 1 . . . . 192 VAL CG1 . 18200 1 721 . 1 1 72 72 VAL N N 15 117.704 0.300 . 1 . . . . 192 VAL N . 18200 1 722 . 1 1 73 73 THR H H 1 8.048 0.020 . 1 . . . . 193 THR H . 18200 1 723 . 1 1 73 73 THR HA H 1 4.305 0.020 . 1 . . . . 193 THR HA . 18200 1 724 . 1 1 73 73 THR HB H 1 3.718 0.020 . 1 . . . . 193 THR HB . 18200 1 725 . 1 1 73 73 THR HG21 H 1 1.087 0.020 . 1 . . . . 193 THR HG2 . 18200 1 726 . 1 1 73 73 THR HG22 H 1 1.087 0.020 . 1 . . . . 193 THR HG2 . 18200 1 727 . 1 1 73 73 THR HG23 H 1 1.087 0.020 . 1 . . . . 193 THR HG2 . 18200 1 728 . 1 1 73 73 THR C C 13 174.178 0.300 . 1 . . . . 193 THR C . 18200 1 729 . 1 1 73 73 THR CA C 13 61.670 0.300 . 1 . . . . 193 THR CA . 18200 1 730 . 1 1 73 73 THR CB C 13 69.334 0.300 . 1 . . . . 193 THR CB . 18200 1 731 . 1 1 73 73 THR CG2 C 13 21.521 0.300 . 1 . . . . 193 THR CG2 . 18200 1 732 . 1 1 73 73 THR N N 15 116.174 0.300 . 1 . . . . 193 THR N . 18200 1 733 . 1 1 74 74 TYR H H 1 8.224 0.020 . 1 . . . . 194 TYR H . 18200 1 734 . 1 1 74 74 TYR HA H 1 4.608 0.020 . 1 . . . . 194 TYR HA . 18200 1 735 . 1 1 74 74 TYR HB2 H 1 3.088 0.020 . 2 . . . . 194 TYR HB2 . 18200 1 736 . 1 1 74 74 TYR HB3 H 1 2.871 0.020 . 2 . . . . 194 TYR HB3 . 18200 1 737 . 1 1 74 74 TYR HD1 H 1 6.669 0.020 . 1 . . . . 194 TYR HD1 . 18200 1 738 . 1 1 74 74 TYR HD2 H 1 6.669 0.020 . 1 . . . . 194 TYR HD2 . 18200 1 739 . 1 1 74 74 TYR HE1 H 1 6.968 0.020 . 1 . . . . 194 TYR HE1 . 18200 1 740 . 1 1 74 74 TYR HE2 H 1 6.968 0.020 . 1 . . . . 194 TYR HE2 . 18200 1 741 . 1 1 74 74 TYR C C 13 175.618 0.300 . 1 . . . . 194 TYR C . 18200 1 742 . 1 1 74 74 TYR CA C 13 57.760 0.300 . 1 . . . . 194 TYR CA . 18200 1 743 . 1 1 74 74 TYR CB C 13 38.817 0.300 . 1 . . . . 194 TYR CB . 18200 1 744 . 1 1 74 74 TYR CD1 C 13 131.020 0.300 . 1 . . . . 194 TYR CD1 . 18200 1 745 . 1 1 74 74 TYR CE1 C 13 115.876 0.300 . 1 . . . . 194 TYR CE1 . 18200 1 746 . 1 1 74 74 TYR N N 15 122.520 0.300 . 1 . . . . 194 TYR N . 18200 1 747 . 1 1 75 75 ASP H H 1 8.213 0.020 . 1 . . . . 195 ASP H . 18200 1 748 . 1 1 75 75 ASP HA H 1 4.589 0.020 . 1 . . . . 195 ASP HA . 18200 1 749 . 1 1 75 75 ASP HB2 H 1 2.672 0.020 . 1 . . . . 195 ASP HB2 . 18200 1 750 . 1 1 75 75 ASP HB3 H 1 2.672 0.020 . 1 . . . . 195 ASP HB3 . 18200 1 751 . 1 1 75 75 ASP C C 13 176.547 0.300 . 1 . . . . 195 ASP C . 18200 1 752 . 1 1 75 75 ASP CA C 13 54.038 0.300 . 1 . . . . 195 ASP CA . 18200 1 753 . 1 1 75 75 ASP CB C 13 41.144 0.300 . 1 . . . . 195 ASP CB . 18200 1 754 . 1 1 75 75 ASP N N 15 122.090 0.300 . 1 . . . . 195 ASP N . 18200 1 755 . 1 1 76 76 GLY H H 1 7.861 0.020 . 1 . . . . 196 GLY H . 18200 1 756 . 1 1 76 76 GLY HA2 H 1 3.808 0.020 . 2 . . . . 196 GLY HA2 . 18200 1 757 . 1 1 76 76 GLY HA3 H 1 4.002 0.020 . 2 . . . . 196 GLY HA3 . 18200 1 758 . 1 1 76 76 GLY C C 13 174.641 0.300 . 1 . . . . 196 GLY C . 18200 1 759 . 1 1 76 76 GLY CA C 13 45.511 0.300 . 1 . . . . 196 GLY CA . 18200 1 760 . 1 1 76 76 GLY N N 15 108.479 0.300 . 1 . . . . 196 GLY N . 18200 1 761 . 1 1 77 77 MET H H 1 8.203 0.020 . 1 . . . . 197 MET H . 18200 1 762 . 1 1 77 77 MET HA H 1 4.444 0.020 . 1 . . . . 197 MET HA . 18200 1 763 . 1 1 77 77 MET HB2 H 1 2.000 0.020 . 1 . . . . 197 MET HB2 . 18200 1 764 . 1 1 77 77 MET HB3 H 1 2.000 0.020 . 1 . . . . 197 MET HB3 . 18200 1 765 . 1 1 77 77 MET HG2 H 1 2.452 0.020 . 1 . . . . 197 MET HG2 . 18200 1 766 . 1 1 77 77 MET HG3 H 1 2.452 0.020 . 1 . . . . 197 MET HG3 . 18200 1 767 . 1 1 77 77 MET C C 13 176.270 0.300 . 1 . . . . 197 MET C . 18200 1 768 . 1 1 77 77 MET CA C 13 55.761 0.300 . 1 . . . . 197 MET CA . 18200 1 769 . 1 1 77 77 MET CB C 13 32.819 0.300 . 1 . . . . 197 MET CB . 18200 1 770 . 1 1 77 77 MET CG C 13 30.796 0.300 . 1 . . . . 197 MET CG . 18200 1 771 . 1 1 77 77 MET N N 15 119.720 0.300 . 1 . . . . 197 MET N . 18200 1 772 . 1 1 78 78 ASP H H 1 8.512 0.020 . 1 . . . . 198 ASP H . 18200 1 773 . 1 1 78 78 ASP HA H 1 4.484 0.020 . 1 . . . . 198 ASP HA . 18200 1 774 . 1 1 78 78 ASP HB2 H 1 2.712 0.020 . 1 . . . . 198 ASP HB2 . 18200 1 775 . 1 1 78 78 ASP HB3 H 1 2.712 0.020 . 1 . . . . 198 ASP HB3 . 18200 1 776 . 1 1 78 78 ASP C C 13 176.846 0.300 . 1 . . . . 198 ASP C . 18200 1 777 . 1 1 78 78 ASP CA C 13 55.462 0.300 . 1 . . . . 198 ASP CA . 18200 1 778 . 1 1 78 78 ASP CB C 13 40.854 0.300 . 1 . . . . 198 ASP CB . 18200 1 779 . 1 1 78 78 ASP N N 15 121.106 0.300 . 1 . . . . 198 ASP N . 18200 1 780 . 1 1 79 79 ARG H H 1 8.399 0.020 . 1 . . . . 199 ARG H . 18200 1 781 . 1 1 79 79 ARG HA H 1 4.404 0.020 . 1 . . . . 199 ARG HA . 18200 1 782 . 1 1 79 79 ARG HB2 H 1 1.732 0.020 . 1 . . . . 199 ARG HB2 . 18200 1 783 . 1 1 79 79 ARG HB3 H 1 1.732 0.020 . 1 . . . . 199 ARG HB3 . 18200 1 784 . 1 1 79 79 ARG HG2 H 1 1.606 0.020 . 1 . . . . 199 ARG HG2 . 18200 1 785 . 1 1 79 79 ARG HG3 H 1 1.606 0.020 . 1 . . . . 199 ARG HG3 . 18200 1 786 . 1 1 79 79 ARG HD2 H 1 3.140 0.020 . 1 . . . . 199 ARG HD2 . 18200 1 787 . 1 1 79 79 ARG HD3 H 1 3.140 0.020 . 1 . . . . 199 ARG HD3 . 18200 1 788 . 1 1 79 79 ARG C C 13 176.363 0.300 . 1 . . . . 199 ARG C . 18200 1 789 . 1 1 79 79 ARG CA C 13 55.942 0.300 . 1 . . . . 199 ARG CA . 18200 1 790 . 1 1 79 79 ARG CB C 13 29.999 0.300 . 1 . . . . 199 ARG CB . 18200 1 791 . 1 1 79 79 ARG CG C 13 27.446 0.300 . 1 . . . . 199 ARG CG . 18200 1 792 . 1 1 79 79 ARG CD C 13 43.524 0.300 . 1 . . . . 199 ARG CD . 18200 1 793 . 1 1 79 79 ARG N N 15 121.446 0.300 . 1 . . . . 199 ARG N . 18200 1 794 . 1 1 80 80 SER H H 1 8.052 0.020 . 1 . . . . 200 SER H . 18200 1 795 . 1 1 80 80 SER HA H 1 3.985 0.020 . 1 . . . . 200 SER HA . 18200 1 796 . 1 1 80 80 SER C C 13 176.312 0.300 . 1 . . . . 200 SER C . 18200 1 797 . 1 1 80 80 SER CA C 13 59.590 0.300 . 1 . . . . 200 SER CA . 18200 1 798 . 1 1 80 80 SER CB C 13 63.525 0.300 . 1 . . . . 200 SER CB . 18200 1 799 . 1 1 80 80 SER N N 15 115.163 0.300 . 1 . . . . 200 SER N . 18200 1 800 . 1 1 81 81 VAL H H 1 8.583 0.020 . 1 . . . . 201 VAL H . 18200 1 801 . 1 1 81 81 VAL HA H 1 3.646 0.020 . 1 . . . . 201 VAL HA . 18200 1 802 . 1 1 81 81 VAL HB H 1 2.034 0.020 . 1 . . . . 201 VAL HB . 18200 1 803 . 1 1 81 81 VAL HG11 H 1 0.808 0.020 . 1 . . . . 201 VAL HG1 . 18200 1 804 . 1 1 81 81 VAL HG12 H 1 0.808 0.020 . 1 . . . . 201 VAL HG1 . 18200 1 805 . 1 1 81 81 VAL HG13 H 1 0.808 0.020 . 1 . . . . 201 VAL HG1 . 18200 1 806 . 1 1 81 81 VAL HG21 H 1 0.808 0.020 . 1 . . . . 201 VAL HG2 . 18200 1 807 . 1 1 81 81 VAL HG22 H 1 0.808 0.020 . 1 . . . . 201 VAL HG2 . 18200 1 808 . 1 1 81 81 VAL HG23 H 1 0.808 0.020 . 1 . . . . 201 VAL HG2 . 18200 1 809 . 1 1 81 81 VAL C C 13 176.152 0.300 . 1 . . . . 201 VAL C . 18200 1 810 . 1 1 81 81 VAL CA C 13 65.530 0.300 . 1 . . . . 201 VAL CA . 18200 1 811 . 1 1 81 81 VAL CB C 13 31.741 0.300 . 1 . . . . 201 VAL CB . 18200 1 812 . 1 1 81 81 VAL CG1 C 13 21.864 0.300 . 1 . . . . 201 VAL CG1 . 18200 1 813 . 1 1 81 81 VAL N N 15 124.322 0.300 . 1 . . . . 201 VAL N . 18200 1 814 . 1 1 82 82 ASP H H 1 7.957 0.020 . 1 . . . . 202 ASP H . 18200 1 815 . 1 1 82 82 ASP HA H 1 4.125 0.020 . 1 . . . . 202 ASP HA . 18200 1 816 . 1 1 82 82 ASP HB2 H 1 2.672 0.020 . 1 . . . . 202 ASP HB2 . 18200 1 817 . 1 1 82 82 ASP HB3 H 1 2.672 0.020 . 1 . . . . 202 ASP HB3 . 18200 1 818 . 1 1 82 82 ASP C C 13 178.985 0.300 . 1 . . . . 202 ASP C . 18200 1 819 . 1 1 82 82 ASP CA C 13 57.901 0.300 . 1 . . . . 202 ASP CA . 18200 1 820 . 1 1 82 82 ASP CB C 13 40.660 0.300 . 1 . . . . 202 ASP CB . 18200 1 821 . 1 1 82 82 ASP N N 15 119.500 0.300 . 1 . . . . 202 ASP N . 18200 1 822 . 1 1 83 83 VAL H H 1 7.883 0.020 . 1 . . . . 203 VAL H . 18200 1 823 . 1 1 83 83 VAL HA H 1 3.677 0.020 . 1 . . . . 203 VAL HA . 18200 1 824 . 1 1 83 83 VAL HB H 1 2.032 0.020 . 1 . . . . 203 VAL HB . 18200 1 825 . 1 1 83 83 VAL HG11 H 1 1.032 0.020 . 2 . . . . 203 VAL HG1 . 18200 1 826 . 1 1 83 83 VAL HG12 H 1 1.032 0.020 . 2 . . . . 203 VAL HG1 . 18200 1 827 . 1 1 83 83 VAL HG13 H 1 1.032 0.020 . 2 . . . . 203 VAL HG1 . 18200 1 828 . 1 1 83 83 VAL HG21 H 1 0.959 0.020 . 2 . . . . 203 VAL HG2 . 18200 1 829 . 1 1 83 83 VAL HG22 H 1 0.959 0.020 . 2 . . . . 203 VAL HG2 . 18200 1 830 . 1 1 83 83 VAL HG23 H 1 0.959 0.020 . 2 . . . . 203 VAL HG2 . 18200 1 831 . 1 1 83 83 VAL C C 13 178.651 0.300 . 1 . . . . 203 VAL C . 18200 1 832 . 1 1 83 83 VAL CA C 13 65.711 0.300 . 1 . . . . 203 VAL CA . 18200 1 833 . 1 1 83 83 VAL CB C 13 31.632 0.300 . 1 . . . . 203 VAL CB . 18200 1 834 . 1 1 83 83 VAL CG1 C 13 22.415 0.300 . 1 . . . . 203 VAL CG1 . 18200 1 835 . 1 1 83 83 VAL N N 15 119.861 0.300 . 1 . . . . 203 VAL N . 18200 1 836 . 1 1 84 84 ALA H H 1 7.585 0.020 . 1 . . . . 204 ALA H . 18200 1 837 . 1 1 84 84 ALA HA H 1 3.965 0.020 . 1 . . . . 204 ALA HA . 18200 1 838 . 1 1 84 84 ALA HB1 H 1 1.417 0.020 . 1 . . . . 204 ALA HB . 18200 1 839 . 1 1 84 84 ALA HB2 H 1 1.417 0.020 . 1 . . . . 204 ALA HB . 18200 1 840 . 1 1 84 84 ALA HB3 H 1 1.417 0.020 . 1 . . . . 204 ALA HB . 18200 1 841 . 1 1 84 84 ALA C C 13 179.592 0.300 . 1 . . . . 204 ALA C . 18200 1 842 . 1 1 84 84 ALA CA C 13 55.183 0.300 . 1 . . . . 204 ALA CA . 18200 1 843 . 1 1 84 84 ALA CB C 13 19.550 0.300 . 1 . . . . 204 ALA CB . 18200 1 844 . 1 1 84 84 ALA N N 15 125.237 0.300 . 1 . . . . 204 ALA N . 18200 1 845 . 1 1 85 85 ILE H H 1 8.394 0.020 . 1 . . . . 205 ILE H . 18200 1 846 . 1 1 85 85 ILE HA H 1 3.449 0.020 . 1 . . . . 205 ILE HA . 18200 1 847 . 1 1 85 85 ILE HB H 1 1.908 0.020 . 1 . . . . 205 ILE HB . 18200 1 848 . 1 1 85 85 ILE HG12 H 1 1.164 0.020 . 1 . . . . 205 ILE HG12 . 18200 1 849 . 1 1 85 85 ILE HG13 H 1 1.164 0.020 . 1 . . . . 205 ILE HG13 . 18200 1 850 . 1 1 85 85 ILE HG21 H 1 0.451 0.020 . 1 . . . . 205 ILE HG2 . 18200 1 851 . 1 1 85 85 ILE HG22 H 1 0.451 0.020 . 1 . . . . 205 ILE HG2 . 18200 1 852 . 1 1 85 85 ILE HG23 H 1 0.451 0.020 . 1 . . . . 205 ILE HG2 . 18200 1 853 . 1 1 85 85 ILE HD11 H 1 0.046 0.020 . 1 . . . . 205 ILE HD1 . 18200 1 854 . 1 1 85 85 ILE HD12 H 1 0.046 0.020 . 1 . . . . 205 ILE HD1 . 18200 1 855 . 1 1 85 85 ILE HD13 H 1 0.046 0.020 . 1 . . . . 205 ILE HD1 . 18200 1 856 . 1 1 85 85 ILE C C 13 178.333 0.300 . 1 . . . . 205 ILE C . 18200 1 857 . 1 1 85 85 ILE CA C 13 62.321 0.300 . 1 . . . . 205 ILE CA . 18200 1 858 . 1 1 85 85 ILE CB C 13 34.465 0.300 . 1 . . . . 205 ILE CB . 18200 1 859 . 1 1 85 85 ILE CG1 C 13 25.758 0.300 . 1 . . . . 205 ILE CG1 . 18200 1 860 . 1 1 85 85 ILE CG2 C 13 15.940 0.300 . 1 . . . . 205 ILE CG2 . 18200 1 861 . 1 1 85 85 ILE CD1 C 13 9.825 0.300 . 1 . . . . 205 ILE CD1 . 18200 1 862 . 1 1 85 85 ILE N N 15 118.268 0.300 . 1 . . . . 205 ILE N . 18200 1 863 . 1 1 87 87 ARG H H 1 7.831 0.020 . 1 . . . . 207 ARG H . 18200 1 864 . 1 1 87 87 ARG HA H 1 4.388 0.020 . 1 . . . . 207 ARG HA . 18200 1 865 . 1 1 87 87 ARG HB2 H 1 2.606 0.020 . 1 . . . . 207 ARG HB2 . 18200 1 866 . 1 1 87 87 ARG HB3 H 1 2.606 0.020 . 1 . . . . 207 ARG HB3 . 18200 1 867 . 1 1 87 87 ARG HD2 H 1 4.106 0.020 . 1 . . . . 207 ARG HD2 . 18200 1 868 . 1 1 87 87 ARG HD3 H 1 4.106 0.020 . 1 . . . . 207 ARG HD3 . 18200 1 869 . 1 1 87 87 ARG HE H 1 10.190 0.020 . 1 . . . . 207 ARG HE . 18200 1 870 . 1 1 87 87 ARG C C 13 179.027 0.300 . 1 . . . . 207 ARG C . 18200 1 871 . 1 1 87 87 ARG CA C 13 59.513 0.300 . 1 . . . . 207 ARG CA . 18200 1 872 . 1 1 87 87 ARG CB C 13 30.972 0.300 . 1 . . . . 207 ARG CB . 18200 1 873 . 1 1 87 87 ARG N N 15 123.556 0.300 . 1 . . . . 207 ARG N . 18200 1 874 . 1 1 88 88 LEU H H 1 8.510 0.020 . 1 . . . . 208 LEU H . 18200 1 875 . 1 1 88 88 LEU HA H 1 3.847 0.020 . 1 . . . . 208 LEU HA . 18200 1 876 . 1 1 88 88 LEU HB2 H 1 2.034 0.020 . 1 . . . . 208 LEU HB2 . 18200 1 877 . 1 1 88 88 LEU HB3 H 1 2.034 0.020 . 1 . . . . 208 LEU HB3 . 18200 1 878 . 1 1 88 88 LEU HG H 1 1.229 0.020 . 1 . . . . 208 LEU HG . 18200 1 879 . 1 1 88 88 LEU HD11 H 1 0.864 0.020 . 1 . . . . 208 LEU HD1 . 18200 1 880 . 1 1 88 88 LEU HD12 H 1 0.864 0.020 . 1 . . . . 208 LEU HD1 . 18200 1 881 . 1 1 88 88 LEU HD13 H 1 0.864 0.020 . 1 . . . . 208 LEU HD1 . 18200 1 882 . 1 1 88 88 LEU HD21 H 1 0.864 0.020 . 1 . . . . 208 LEU HD2 . 18200 1 883 . 1 1 88 88 LEU HD22 H 1 0.864 0.020 . 1 . . . . 208 LEU HD2 . 18200 1 884 . 1 1 88 88 LEU HD23 H 1 0.864 0.020 . 1 . . . . 208 LEU HD2 . 18200 1 885 . 1 1 88 88 LEU C C 13 178.822 0.300 . 1 . . . . 208 LEU C . 18200 1 886 . 1 1 88 88 LEU CA C 13 58.143 0.300 . 1 . . . . 208 LEU CA . 18200 1 887 . 1 1 88 88 LEU CB C 13 42.473 0.300 . 1 . . . . 208 LEU CB . 18200 1 888 . 1 1 88 88 LEU CG C 13 25.542 0.300 . 1 . . . . 208 LEU CG . 18200 1 889 . 1 1 88 88 LEU CD1 C 13 22.503 0.300 . 1 . . . . 208 LEU CD1 . 18200 1 890 . 1 1 88 88 LEU N N 15 119.608 0.300 . 1 . . . . 208 LEU N . 18200 1 891 . 1 1 89 89 ARG H H 1 8.661 0.020 . 1 . . . . 209 ARG H . 18200 1 892 . 1 1 89 89 ARG HA H 1 4.403 0.020 . 1 . . . . 209 ARG HA . 18200 1 893 . 1 1 89 89 ARG HB2 H 1 3.114 0.020 . 1 . . . . 209 ARG HB2 . 18200 1 894 . 1 1 89 89 ARG HB3 H 1 3.114 0.020 . 1 . . . . 209 ARG HB3 . 18200 1 895 . 1 1 89 89 ARG HD2 H 1 3.688 0.020 . 1 . . . . 209 ARG HD2 . 18200 1 896 . 1 1 89 89 ARG HD3 H 1 3.688 0.020 . 1 . . . . 209 ARG HD3 . 18200 1 897 . 1 1 89 89 ARG C C 13 177.957 0.300 . 1 . . . . 209 ARG C . 18200 1 898 . 1 1 89 89 ARG CA C 13 59.879 0.300 . 1 . . . . 209 ARG CA . 18200 1 899 . 1 1 89 89 ARG CB C 13 30.319 0.300 . 1 . . . . 209 ARG CB . 18200 1 900 . 1 1 89 89 ARG N N 15 116.265 0.300 . 1 . . . . 209 ARG N . 18200 1 901 . 1 1 90 90 LYS H H 1 7.471 0.020 . 1 . . . . 210 LYS H . 18200 1 902 . 1 1 90 90 LYS HA H 1 4.162 0.020 . 1 . . . . 210 LYS HA . 18200 1 903 . 1 1 90 90 LYS HB2 H 1 1.961 0.020 . 2 . . . . 210 LYS HB2 . 18200 1 904 . 1 1 90 90 LYS HB3 H 1 1.994 0.020 . 2 . . . . 210 LYS HB3 . 18200 1 905 . 1 1 90 90 LYS HG2 H 1 1.539 0.020 . 1 . . . . 210 LYS HG2 . 18200 1 906 . 1 1 90 90 LYS HG3 H 1 1.539 0.020 . 1 . . . . 210 LYS HG3 . 18200 1 907 . 1 1 90 90 LYS HD2 H 1 1.588 0.020 . 1 . . . . 210 LYS HD2 . 18200 1 908 . 1 1 90 90 LYS HD3 H 1 1.588 0.020 . 1 . . . . 210 LYS HD3 . 18200 1 909 . 1 1 90 90 LYS HE2 H 1 2.975 0.020 . 1 . . . . 210 LYS HE2 . 18200 1 910 . 1 1 90 90 LYS HE3 H 1 2.975 0.020 . 1 . . . . 210 LYS HE3 . 18200 1 911 . 1 1 90 90 LYS C C 13 180.797 0.300 . 1 . . . . 210 LYS C . 18200 1 912 . 1 1 90 90 LYS CA C 13 58.928 0.300 . 1 . . . . 210 LYS CA . 18200 1 913 . 1 1 90 90 LYS CB C 13 32.432 0.300 . 1 . . . . 210 LYS CB . 18200 1 914 . 1 1 90 90 LYS CD C 13 24.849 0.300 . 1 . . . . 210 LYS CD . 18200 1 915 . 1 1 90 90 LYS CE C 13 41.742 0.300 . 1 . . . . 210 LYS CE . 18200 1 916 . 1 1 90 90 LYS N N 15 117.306 0.300 . 1 . . . . 210 LYS N . 18200 1 917 . 1 1 91 91 LYS H H 1 8.229 0.020 . 1 . . . . 211 LYS H . 18200 1 918 . 1 1 91 91 LYS HA H 1 4.066 0.020 . 1 . . . . 211 LYS HA . 18200 1 919 . 1 1 91 91 LYS HG2 H 1 1.575 0.020 . 1 . . . . 211 LYS HG2 . 18200 1 920 . 1 1 91 91 LYS HG3 H 1 1.575 0.020 . 1 . . . . 211 LYS HG3 . 18200 1 921 . 1 1 91 91 LYS C C 13 176.675 0.300 . 1 . . . . 211 LYS C . 18200 1 922 . 1 1 91 91 LYS CA C 13 58.297 0.300 . 1 . . . . 211 LYS CA . 18200 1 923 . 1 1 91 91 LYS CB C 13 32.455 0.300 . 1 . . . . 211 LYS CB . 18200 1 924 . 1 1 91 91 LYS N N 15 119.013 0.300 . 1 . . . . 211 LYS N . 18200 1 925 . 1 1 92 92 LEU H H 1 8.062 0.020 . 1 . . . . 212 LEU H . 18200 1 926 . 1 1 92 92 LEU HA H 1 4.626 0.020 . 1 . . . . 212 LEU HA . 18200 1 927 . 1 1 92 92 LEU HB2 H 1 2.253 0.020 . 1 . . . . 212 LEU HB2 . 18200 1 928 . 1 1 92 92 LEU HB3 H 1 2.253 0.020 . 1 . . . . 212 LEU HB3 . 18200 1 929 . 1 1 92 92 LEU HG H 1 1.807 0.020 . 1 . . . . 212 LEU HG . 18200 1 930 . 1 1 92 92 LEU HD11 H 1 0.998 0.020 . 1 . . . . 212 LEU HD1 . 18200 1 931 . 1 1 92 92 LEU HD12 H 1 0.998 0.020 . 1 . . . . 212 LEU HD1 . 18200 1 932 . 1 1 92 92 LEU HD13 H 1 0.998 0.020 . 1 . . . . 212 LEU HD1 . 18200 1 933 . 1 1 92 92 LEU HD21 H 1 0.998 0.020 . 1 . . . . 212 LEU HD2 . 18200 1 934 . 1 1 92 92 LEU HD22 H 1 0.998 0.020 . 1 . . . . 212 LEU HD2 . 18200 1 935 . 1 1 92 92 LEU HD23 H 1 0.998 0.020 . 1 . . . . 212 LEU HD2 . 18200 1 936 . 1 1 92 92 LEU C C 13 173.486 0.300 . 1 . . . . 212 LEU C . 18200 1 937 . 1 1 92 92 LEU CA C 13 53.193 0.300 . 1 . . . . 212 LEU CA . 18200 1 938 . 1 1 92 92 LEU CB C 13 39.305 0.300 . 1 . . . . 212 LEU CB . 18200 1 939 . 1 1 92 92 LEU CG C 13 26.953 0.300 . 1 . . . . 212 LEU CG . 18200 1 940 . 1 1 92 92 LEU CD1 C 13 23.311 0.300 . 1 . . . . 212 LEU CD1 . 18200 1 941 . 1 1 92 92 LEU N N 15 114.000 0.300 . 1 . . . . 212 LEU N . 18200 1 942 . 1 1 93 93 LEU H H 1 7.288 0.020 . 1 . . . . 213 LEU H . 18200 1 943 . 1 1 93 93 LEU HA H 1 3.927 0.020 . 1 . . . . 213 LEU HA . 18200 1 944 . 1 1 93 93 LEU HB2 H 1 1.835 0.020 . 1 . . . . 213 LEU HB2 . 18200 1 945 . 1 1 93 93 LEU HB3 H 1 1.835 0.020 . 1 . . . . 213 LEU HB3 . 18200 1 946 . 1 1 93 93 LEU HG H 1 1.548 0.020 . 1 . . . . 213 LEU HG . 18200 1 947 . 1 1 93 93 LEU HD11 H 1 0.950 0.020 . 2 . . . . 213 LEU HD1 . 18200 1 948 . 1 1 93 93 LEU HD12 H 1 0.950 0.020 . 2 . . . . 213 LEU HD1 . 18200 1 949 . 1 1 93 93 LEU HD13 H 1 0.950 0.020 . 2 . . . . 213 LEU HD1 . 18200 1 950 . 1 1 93 93 LEU HD21 H 1 0.897 0.020 . 2 . . . . 213 LEU HD2 . 18200 1 951 . 1 1 93 93 LEU HD22 H 1 0.897 0.020 . 2 . . . . 213 LEU HD2 . 18200 1 952 . 1 1 93 93 LEU HD23 H 1 0.897 0.020 . 2 . . . . 213 LEU HD2 . 18200 1 953 . 1 1 93 93 LEU C C 13 176.023 0.300 . 1 . . . . 213 LEU C . 18200 1 954 . 1 1 93 93 LEU CA C 13 55.487 0.300 . 1 . . . . 213 LEU CA . 18200 1 955 . 1 1 93 93 LEU CB C 13 37.379 0.300 . 1 . . . . 213 LEU CB . 18200 1 956 . 1 1 93 93 LEU CG C 13 24.948 0.300 . 1 . . . . 213 LEU CG . 18200 1 957 . 1 1 93 93 LEU CD1 C 13 21.147 0.300 . 1 . . . . 213 LEU CD1 . 18200 1 958 . 1 1 93 93 LEU N N 15 110.940 0.300 . 1 . . . . 213 LEU N . 18200 1 959 . 1 1 94 94 ASP H H 1 8.525 0.020 . 1 . . . . 214 ASP H . 18200 1 960 . 1 1 94 94 ASP HA H 1 4.325 0.020 . 1 . . . . 214 ASP HA . 18200 1 961 . 1 1 94 94 ASP HB2 H 1 2.453 0.020 . 2 . . . . 214 ASP HB2 . 18200 1 962 . 1 1 94 94 ASP HB3 H 1 2.016 0.020 . 2 . . . . 214 ASP HB3 . 18200 1 963 . 1 1 94 94 ASP C C 13 176.589 0.300 . 1 . . . . 214 ASP C . 18200 1 964 . 1 1 94 94 ASP CA C 13 52.336 0.300 . 1 . . . . 214 ASP CA . 18200 1 965 . 1 1 94 94 ASP CB C 13 42.306 0.300 . 1 . . . . 214 ASP CB . 18200 1 966 . 1 1 94 94 ASP N N 15 117.184 0.300 . 1 . . . . 214 ASP N . 18200 1 967 . 1 1 96 96 ALA H H 1 8.599 0.020 . 1 . . . . 216 ALA H . 18200 1 968 . 1 1 96 96 ALA HA H 1 3.965 0.020 . 1 . . . . 216 ALA HA . 18200 1 969 . 1 1 96 96 ALA HB1 H 1 1.457 0.020 . 1 . . . . 216 ALA HB . 18200 1 970 . 1 1 96 96 ALA HB2 H 1 1.457 0.020 . 1 . . . . 216 ALA HB . 18200 1 971 . 1 1 96 96 ALA HB3 H 1 1.457 0.020 . 1 . . . . 216 ALA HB . 18200 1 972 . 1 1 96 96 ALA C C 13 178.954 0.300 . 1 . . . . 216 ALA C . 18200 1 973 . 1 1 96 96 ALA CA C 13 54.500 0.300 . 1 . . . . 216 ALA CA . 18200 1 974 . 1 1 96 96 ALA CB C 13 19.363 0.300 . 1 . . . . 216 ALA CB . 18200 1 975 . 1 1 96 96 ALA N N 15 125.976 0.300 . 1 . . . . 216 ALA N . 18200 1 976 . 1 1 97 97 THR H H 1 7.982 0.020 . 1 . . . . 217 THR H . 18200 1 977 . 1 1 97 97 THR HA H 1 4.184 0.020 . 1 . . . . 217 THR HA . 18200 1 978 . 1 1 97 97 THR HB H 1 4.100 0.020 . 1 . . . . 217 THR HB . 18200 1 979 . 1 1 97 97 THR HG21 H 1 1.211 0.020 . 1 . . . . 217 THR HG2 . 18200 1 980 . 1 1 97 97 THR HG22 H 1 1.211 0.020 . 1 . . . . 217 THR HG2 . 18200 1 981 . 1 1 97 97 THR HG23 H 1 1.211 0.020 . 1 . . . . 217 THR HG2 . 18200 1 982 . 1 1 97 97 THR C C 13 174.792 0.300 . 1 . . . . 217 THR C . 18200 1 983 . 1 1 97 97 THR CA C 13 63.974 0.300 . 1 . . . . 217 THR CA . 18200 1 984 . 1 1 97 97 THR CB C 13 69.024 0.300 . 1 . . . . 217 THR CB . 18200 1 985 . 1 1 97 97 THR CG2 C 13 21.881 0.300 . 1 . . . . 217 THR CG2 . 18200 1 986 . 1 1 97 97 THR N N 15 110.786 0.300 . 1 . . . . 217 THR N . 18200 1 987 . 1 1 98 98 GLU H H 1 7.798 0.020 . 1 . . . . 218 GLU H . 18200 1 988 . 1 1 98 98 GLU HA H 1 4.591 0.020 . 1 . . . . 218 GLU HA . 18200 1 989 . 1 1 98 98 GLU HB2 H 1 1.746 0.020 . 1 . . . . 218 GLU HB2 . 18200 1 990 . 1 1 98 98 GLU HB3 H 1 1.746 0.020 . 1 . . . . 218 GLU HB3 . 18200 1 991 . 1 1 98 98 GLU HG2 H 1 2.046 0.020 . 2 . . . . 218 GLU HG2 . 18200 1 992 . 1 1 98 98 GLU HG3 H 1 2.114 0.020 . 2 . . . . 218 GLU HG3 . 18200 1 993 . 1 1 98 98 GLU C C 13 171.109 0.300 . 1 . . . . 218 GLU C . 18200 1 994 . 1 1 98 98 GLU CA C 13 53.601 0.300 . 1 . . . . 218 GLU CA . 18200 1 995 . 1 1 98 98 GLU CB C 13 30.159 0.300 . 1 . . . . 218 GLU CB . 18200 1 996 . 1 1 98 98 GLU CG C 13 36.103 0.300 . 1 . . . . 218 GLU CG . 18200 1 997 . 1 1 98 98 GLU N N 15 121.955 0.300 . 1 . . . . 218 GLU N . 18200 1 998 . 1 1 100 100 TYR H H 1 11.045 0.020 . 1 . . . . 220 TYR H . 18200 1 999 . 1 1 100 100 TYR HA H 1 4.646 0.020 . 1 . . . . 220 TYR HA . 18200 1 1000 . 1 1 100 100 TYR HB2 H 1 3.011 0.020 . 2 . . . . 220 TYR HB2 . 18200 1 1001 . 1 1 100 100 TYR HB3 H 1 2.801 0.020 . 2 . . . . 220 TYR HB3 . 18200 1 1002 . 1 1 100 100 TYR C C 13 172.879 0.300 . 1 . . . . 220 TYR C . 18200 1 1003 . 1 1 100 100 TYR CA C 13 56.837 0.300 . 1 . . . . 220 TYR CA . 18200 1 1004 . 1 1 100 100 TYR CB C 13 40.290 0.300 . 1 . . . . 220 TYR CB . 18200 1 1005 . 1 1 100 100 TYR N N 15 124.724 0.300 . 1 . . . . 220 TYR N . 18200 1 1006 . 1 1 101 101 ARG H H 1 8.333 0.020 . 1 . . . . 221 ARG H . 18200 1 1007 . 1 1 101 101 ARG HA H 1 3.442 0.020 . 1 . . . . 221 ARG HA . 18200 1 1008 . 1 1 101 101 ARG HB2 H 1 0.858 0.020 . 2 . . . . 221 ARG HB2 . 18200 1 1009 . 1 1 101 101 ARG HB3 H 1 0.611 0.020 . 2 . . . . 221 ARG HB3 . 18200 1 1010 . 1 1 101 101 ARG HG2 H 1 -0.037 0.020 . 2 . . . . 221 ARG HG2 . 18200 1 1011 . 1 1 101 101 ARG HG3 H 1 -0.627 0.020 . 2 . . . . 221 ARG HG3 . 18200 1 1012 . 1 1 101 101 ARG HD2 H 1 1.754 0.020 . 2 . . . . 221 ARG HD2 . 18200 1 1013 . 1 1 101 101 ARG HD3 H 1 1.277 0.020 . 2 . . . . 221 ARG HD3 . 18200 1 1014 . 1 1 101 101 ARG C C 13 175.284 0.300 . 1 . . . . 221 ARG C . 18200 1 1015 . 1 1 101 101 ARG CA C 13 58.201 0.300 . 1 . . . . 221 ARG CA . 18200 1 1016 . 1 1 101 101 ARG CB C 13 29.750 0.300 . 1 . . . . 221 ARG CB . 18200 1 1017 . 1 1 101 101 ARG CG C 13 27.458 0.300 . 1 . . . . 221 ARG CG . 18200 1 1018 . 1 1 101 101 ARG CD C 13 41.585 0.300 . 1 . . . . 221 ARG CD . 18200 1 1019 . 1 1 101 101 ARG N N 15 124.541 0.300 . 1 . . . . 221 ARG N . 18200 1 1020 . 1 1 103 103 LYS H H 1 9.331 0.020 . 1 . . . . 223 LYS H . 18200 1 1021 . 1 1 103 103 LYS HA H 1 4.115 0.020 . 1 . . . . 223 LYS HA . 18200 1 1022 . 1 1 103 103 LYS HB2 H 1 1.734 0.020 . 1 . . . . 223 LYS HB2 . 18200 1 1023 . 1 1 103 103 LYS HB3 H 1 1.734 0.020 . 1 . . . . 223 LYS HB3 . 18200 1 1024 . 1 1 103 103 LYS HG2 H 1 1.178 0.020 . 1 . . . . 223 LYS HG2 . 18200 1 1025 . 1 1 103 103 LYS HG3 H 1 1.178 0.020 . 1 . . . . 223 LYS HG3 . 18200 1 1026 . 1 1 103 103 LYS HD2 H 1 1.627 0.020 . 1 . . . . 223 LYS HD2 . 18200 1 1027 . 1 1 103 103 LYS HD3 H 1 1.627 0.020 . 1 . . . . 223 LYS HD3 . 18200 1 1028 . 1 1 103 103 LYS C C 13 176.795 0.300 . 1 . . . . 223 LYS C . 18200 1 1029 . 1 1 103 103 LYS CA C 13 56.562 0.300 . 1 . . . . 223 LYS CA . 18200 1 1030 . 1 1 103 103 LYS CB C 13 34.367 0.300 . 1 . . . . 223 LYS CB . 18200 1 1031 . 1 1 103 103 LYS CG C 13 25.119 0.300 . 1 . . . . 223 LYS CG . 18200 1 1032 . 1 1 103 103 LYS CD C 13 28.973 0.300 . 1 . . . . 223 LYS CD . 18200 1 1033 . 1 1 103 103 LYS N N 15 126.314 0.300 . 1 . . . . 223 LYS N . 18200 1 1034 . 1 1 104 104 THR H H 1 9.103 0.020 . 1 . . . . 224 THR H . 18200 1 1035 . 1 1 104 104 THR HA H 1 4.300 0.020 . 1 . . . . 224 THR HA . 18200 1 1036 . 1 1 104 104 THR HB H 1 4.043 0.020 . 1 . . . . 224 THR HB . 18200 1 1037 . 1 1 104 104 THR HG21 H 1 1.033 0.020 . 1 . . . . 224 THR HG2 . 18200 1 1038 . 1 1 104 104 THR HG22 H 1 1.033 0.020 . 1 . . . . 224 THR HG2 . 18200 1 1039 . 1 1 104 104 THR HG23 H 1 1.033 0.020 . 1 . . . . 224 THR HG2 . 18200 1 1040 . 1 1 104 104 THR C C 13 174.101 0.300 . 1 . . . . 224 THR C . 18200 1 1041 . 1 1 104 104 THR CA C 13 62.828 0.300 . 1 . . . . 224 THR CA . 18200 1 1042 . 1 1 104 104 THR CB C 13 69.673 0.300 . 1 . . . . 224 THR CB . 18200 1 1043 . 1 1 104 104 THR N N 15 119.999 0.300 . 1 . . . . 224 THR N . 18200 1 1044 . 1 1 105 105 VAL H H 1 8.609 0.020 . 1 . . . . 225 VAL H . 18200 1 1045 . 1 1 105 105 VAL HA H 1 4.073 0.020 . 1 . . . . 225 VAL HA . 18200 1 1046 . 1 1 105 105 VAL HB H 1 1.550 0.020 . 1 . . . . 225 VAL HB . 18200 1 1047 . 1 1 105 105 VAL HG11 H 1 0.641 0.020 . 2 . . . . 225 VAL HG1 . 18200 1 1048 . 1 1 105 105 VAL HG12 H 1 0.641 0.020 . 2 . . . . 225 VAL HG1 . 18200 1 1049 . 1 1 105 105 VAL HG13 H 1 0.641 0.020 . 2 . . . . 225 VAL HG1 . 18200 1 1050 . 1 1 105 105 VAL HG21 H 1 0.797 0.020 . 2 . . . . 225 VAL HG2 . 18200 1 1051 . 1 1 105 105 VAL HG22 H 1 0.797 0.020 . 2 . . . . 225 VAL HG2 . 18200 1 1052 . 1 1 105 105 VAL HG23 H 1 0.797 0.020 . 2 . . . . 225 VAL HG2 . 18200 1 1053 . 1 1 105 105 VAL C C 13 175.034 0.300 . 1 . . . . 225 VAL C . 18200 1 1054 . 1 1 105 105 VAL CA C 13 61.415 0.300 . 1 . . . . 225 VAL CA . 18200 1 1055 . 1 1 105 105 VAL CB C 13 31.264 0.300 . 1 . . . . 225 VAL CB . 18200 1 1056 . 1 1 105 105 VAL CG1 C 13 20.246 0.300 . 1 . . . . 225 VAL CG1 . 18200 1 1057 . 1 1 105 105 VAL CG2 C 13 20.936 0.300 . 1 . . . . 225 VAL CG2 . 18200 1 1058 . 1 1 105 105 VAL N N 15 129.347 0.300 . 1 . . . . 225 VAL N . 18200 1 1059 . 1 1 106 106 ARG H H 1 8.853 0.020 . 1 . . . . 226 ARG H . 18200 1 1060 . 1 1 106 106 ARG HA H 1 3.765 0.020 . 1 . . . . 226 ARG HA . 18200 1 1061 . 1 1 106 106 ARG HB2 H 1 1.756 0.020 . 1 . . . . 226 ARG HB2 . 18200 1 1062 . 1 1 106 106 ARG HB3 H 1 1.756 0.020 . 1 . . . . 226 ARG HB3 . 18200 1 1063 . 1 1 106 106 ARG HG2 H 1 1.518 0.020 . 1 . . . . 226 ARG HG2 . 18200 1 1064 . 1 1 106 106 ARG HG3 H 1 1.518 0.020 . 1 . . . . 226 ARG HG3 . 18200 1 1065 . 1 1 106 106 ARG HD2 H 1 3.160 0.020 . 1 . . . . 226 ARG HD2 . 18200 1 1066 . 1 1 106 106 ARG HD3 H 1 3.160 0.020 . 1 . . . . 226 ARG HD3 . 18200 1 1067 . 1 1 106 106 ARG C C 13 175.769 0.300 . 1 . . . . 226 ARG C . 18200 1 1068 . 1 1 106 106 ARG CA C 13 57.936 0.300 . 1 . . . . 226 ARG CA . 18200 1 1069 . 1 1 106 106 ARG CB C 13 29.321 0.300 . 1 . . . . 226 ARG CB . 18200 1 1070 . 1 1 106 106 ARG CG C 13 27.023 0.300 . 1 . . . . 226 ARG CG . 18200 1 1071 . 1 1 106 106 ARG CD C 13 42.889 0.300 . 1 . . . . 226 ARG CD . 18200 1 1072 . 1 1 106 106 ARG N N 15 128.137 0.300 . 1 . . . . 226 ARG N . 18200 1 1073 . 1 1 107 107 ASN H H 1 8.801 0.020 . 1 . . . . 227 ASN H . 18200 1 1074 . 1 1 107 107 ASN HA H 1 4.364 0.020 . 1 . . . . 227 ASN HA . 18200 1 1075 . 1 1 107 107 ASN HB2 H 1 2.977 0.020 . 1 . . . . 227 ASN HB2 . 18200 1 1076 . 1 1 107 107 ASN HB3 H 1 2.977 0.020 . 1 . . . . 227 ASN HB3 . 18200 1 1077 . 1 1 107 107 ASN C C 13 174.794 0.300 . 1 . . . . 227 ASN C . 18200 1 1078 . 1 1 107 107 ASN CA C 13 54.890 0.300 . 1 . . . . 227 ASN CA . 18200 1 1079 . 1 1 107 107 ASN CB C 13 37.730 0.300 . 1 . . . . 227 ASN CB . 18200 1 1080 . 1 1 107 107 ASN N N 15 117.544 0.300 . 1 . . . . 227 ASN N . 18200 1 1081 . 1 1 108 108 LYS H H 1 8.267 0.020 . 1 . . . . 228 LYS H . 18200 1 1082 . 1 1 108 108 LYS HA H 1 4.484 0.020 . 1 . . . . 228 LYS HA . 18200 1 1083 . 1 1 108 108 LYS HB2 H 1 1.683 0.020 . 1 . . . . 228 LYS HB2 . 18200 1 1084 . 1 1 108 108 LYS HB3 H 1 1.683 0.020 . 1 . . . . 228 LYS HB3 . 18200 1 1085 . 1 1 108 108 LYS HG2 H 1 1.400 0.020 . 1 . . . . 228 LYS HG2 . 18200 1 1086 . 1 1 108 108 LYS HG3 H 1 1.400 0.020 . 1 . . . . 228 LYS HG3 . 18200 1 1087 . 1 1 108 108 LYS HD2 H 1 1.406 0.020 . 1 . . . . 228 LYS HD2 . 18200 1 1088 . 1 1 108 108 LYS HD3 H 1 1.406 0.020 . 1 . . . . 228 LYS HD3 . 18200 1 1089 . 1 1 108 108 LYS HE2 H 1 2.952 0.020 . 1 . . . . 228 LYS HE2 . 18200 1 1090 . 1 1 108 108 LYS HE3 H 1 2.952 0.020 . 1 . . . . 228 LYS HE3 . 18200 1 1091 . 1 1 108 108 LYS C C 13 175.564 0.300 . 1 . . . . 228 LYS C . 18200 1 1092 . 1 1 108 108 LYS CA C 13 56.964 0.300 . 1 . . . . 228 LYS CA . 18200 1 1093 . 1 1 108 108 LYS CB C 13 35.196 0.300 . 1 . . . . 228 LYS CB . 18200 1 1094 . 1 1 108 108 LYS CG C 13 24.706 0.300 . 1 . . . . 228 LYS CG . 18200 1 1095 . 1 1 108 108 LYS CD C 13 28.877 0.300 . 1 . . . . 228 LYS CD . 18200 1 1096 . 1 1 108 108 LYS CE C 13 41.745 0.300 . 1 . . . . 228 LYS CE . 18200 1 1097 . 1 1 108 108 LYS N N 15 117.519 0.300 . 1 . . . . 228 LYS N . 18200 1 1098 . 1 1 109 109 GLY H H 1 7.676 0.020 . 1 . . . . 229 GLY H . 18200 1 1099 . 1 1 109 109 GLY HA2 H 1 4.222 0.020 . 2 . . . . 229 GLY HA2 . 18200 1 1100 . 1 1 109 109 GLY HA3 H 1 3.490 0.020 . 2 . . . . 229 GLY HA3 . 18200 1 1101 . 1 1 109 109 GLY C C 13 171.202 0.300 . 1 . . . . 229 GLY C . 18200 1 1102 . 1 1 109 109 GLY CA C 13 45.083 0.300 . 1 . . . . 229 GLY CA . 18200 1 1103 . 1 1 109 109 GLY N N 15 105.045 0.300 . 1 . . . . 229 GLY N . 18200 1 1104 . 1 1 110 110 TYR H H 1 8.618 0.020 . 1 . . . . 230 TYR H . 18200 1 1105 . 1 1 110 110 TYR HA H 1 5.442 0.020 . 1 . . . . 230 TYR HA . 18200 1 1106 . 1 1 110 110 TYR HB2 H 1 2.731 0.020 . 2 . . . . 230 TYR HB2 . 18200 1 1107 . 1 1 110 110 TYR HB3 H 1 2.293 0.020 . 2 . . . . 230 TYR HB3 . 18200 1 1108 . 1 1 110 110 TYR HD1 H 1 6.505 0.020 . 1 . . . . 230 TYR HD1 . 18200 1 1109 . 1 1 110 110 TYR HD2 H 1 6.505 0.020 . 1 . . . . 230 TYR HD2 . 18200 1 1110 . 1 1 110 110 TYR HE1 H 1 6.699 0.020 . 1 . . . . 230 TYR HE1 . 18200 1 1111 . 1 1 110 110 TYR HE2 H 1 6.699 0.020 . 1 . . . . 230 TYR HE2 . 18200 1 1112 . 1 1 110 110 TYR C C 13 173.460 0.300 . 1 . . . . 230 TYR C . 18200 1 1113 . 1 1 110 110 TYR CA C 13 56.910 0.300 . 1 . . . . 230 TYR CA . 18200 1 1114 . 1 1 110 110 TYR CB C 13 43.226 0.300 . 1 . . . . 230 TYR CB . 18200 1 1115 . 1 1 110 110 TYR CE1 C 13 115.543 0.300 . 1 . . . . 230 TYR CE1 . 18200 1 1116 . 1 1 110 110 TYR N N 15 121.452 0.300 . 1 . . . . 230 TYR N . 18200 1 1117 . 1 1 111 111 LEU H H 1 8.717 0.020 . 1 . . . . 231 LEU H . 18200 1 1118 . 1 1 111 111 LEU HA H 1 4.750 0.020 . 1 . . . . 231 LEU HA . 18200 1 1119 . 1 1 111 111 LEU HB2 H 1 1.228 0.020 . 1 . . . . 231 LEU HB2 . 18200 1 1120 . 1 1 111 111 LEU HB3 H 1 1.228 0.020 . 1 . . . . 231 LEU HB3 . 18200 1 1121 . 1 1 111 111 LEU HG H 1 1.218 0.020 . 1 . . . . 231 LEU HG . 18200 1 1122 . 1 1 111 111 LEU HD11 H 1 0.609 0.020 . 2 . . . . 231 LEU HD1 . 18200 1 1123 . 1 1 111 111 LEU HD12 H 1 0.609 0.020 . 2 . . . . 231 LEU HD1 . 18200 1 1124 . 1 1 111 111 LEU HD13 H 1 0.609 0.020 . 2 . . . . 231 LEU HD1 . 18200 1 1125 . 1 1 111 111 LEU HD21 H 1 0.637 0.020 . 2 . . . . 231 LEU HD2 . 18200 1 1126 . 1 1 111 111 LEU HD22 H 1 0.637 0.020 . 2 . . . . 231 LEU HD2 . 18200 1 1127 . 1 1 111 111 LEU HD23 H 1 0.637 0.020 . 2 . . . . 231 LEU HD2 . 18200 1 1128 . 1 1 111 111 LEU C C 13 173.614 0.300 . 1 . . . . 231 LEU C . 18200 1 1129 . 1 1 111 111 LEU CA C 13 54.377 0.300 . 1 . . . . 231 LEU CA . 18200 1 1130 . 1 1 111 111 LEU CB C 13 47.331 0.300 . 1 . . . . 231 LEU CB . 18200 1 1131 . 1 1 111 111 LEU CG C 13 25.540 0.300 . 1 . . . . 231 LEU CG . 18200 1 1132 . 1 1 111 111 LEU CD1 C 13 25.688 0.300 . 1 . . . . 231 LEU CD1 . 18200 1 1133 . 1 1 111 111 LEU N N 15 121.973 0.300 . 1 . . . . 231 LEU N . 18200 1 1134 . 1 1 112 112 PHE H H 1 9.832 0.020 . 1 . . . . 232 PHE H . 18200 1 1135 . 1 1 112 112 PHE HA H 1 4.723 0.020 . 1 . . . . 232 PHE HA . 18200 1 1136 . 1 1 112 112 PHE HB2 H 1 3.010 0.020 . 2 . . . . 232 PHE HB2 . 18200 1 1137 . 1 1 112 112 PHE HB3 H 1 2.568 0.020 . 2 . . . . 232 PHE HB3 . 18200 1 1138 . 1 1 112 112 PHE HD1 H 1 6.695 0.020 . 1 . . . . 232 PHE HD1 . 18200 1 1139 . 1 1 112 112 PHE HD2 H 1 6.695 0.020 . 1 . . . . 232 PHE HD2 . 18200 1 1140 . 1 1 112 112 PHE HE1 H 1 6.900 0.020 . 1 . . . . 232 PHE HE1 . 18200 1 1141 . 1 1 112 112 PHE HE2 H 1 6.900 0.020 . 1 . . . . 232 PHE HE2 . 18200 1 1142 . 1 1 112 112 PHE C C 13 173.409 0.300 . 1 . . . . 232 PHE C . 18200 1 1143 . 1 1 112 112 PHE CA C 13 56.865 0.300 . 1 . . . . 232 PHE CA . 18200 1 1144 . 1 1 112 112 PHE CB C 13 40.389 0.300 . 1 . . . . 232 PHE CB . 18200 1 1145 . 1 1 112 112 PHE CD1 C 13 130.844 0.300 . 1 . . . . 232 PHE CD1 . 18200 1 1146 . 1 1 112 112 PHE CE1 C 13 131.677 0.300 . 1 . . . . 232 PHE CE1 . 18200 1 1147 . 1 1 112 112 PHE N N 15 130.537 0.300 . 1 . . . . 232 PHE N . 18200 1 1148 . 1 1 113 113 ALA H H 1 8.340 0.020 . 1 . . . . 233 ALA H . 18200 1 1149 . 1 1 113 113 ALA HA H 1 4.645 0.020 . 1 . . . . 233 ALA HA . 18200 1 1150 . 1 1 113 113 ALA HB1 H 1 1.200 0.020 . 1 . . . . 233 ALA HB . 18200 1 1151 . 1 1 113 113 ALA HB2 H 1 1.200 0.020 . 1 . . . . 233 ALA HB . 18200 1 1152 . 1 1 113 113 ALA HB3 H 1 1.200 0.020 . 1 . . . . 233 ALA HB . 18200 1 1153 . 1 1 113 113 ALA C C 13 176.205 0.300 . 1 . . . . 233 ALA C . 18200 1 1154 . 1 1 113 113 ALA CA C 13 49.182 0.300 . 1 . . . . 233 ALA CA . 18200 1 1155 . 1 1 113 113 ALA CB C 13 19.583 0.300 . 1 . . . . 233 ALA CB . 18200 1 1156 . 1 1 113 113 ALA N N 15 136.878 0.300 . 1 . . . . 233 ALA N . 18200 1 1157 . 1 1 115 115 HIS H H 1 8.821 0.020 . 1 . . . . 235 HIS H . 18200 1 1158 . 1 1 115 115 HIS HA H 1 5.195 0.020 . 1 . . . . 235 HIS HA . 18200 1 1159 . 1 1 115 115 HIS HB2 H 1 3.462 0.020 . 2 . . . . 235 HIS HB2 . 18200 1 1160 . 1 1 115 115 HIS HB3 H 1 3.166 0.020 . 2 . . . . 235 HIS HB3 . 18200 1 1161 . 1 1 115 115 HIS C C 13 174.717 0.300 . 1 . . . . 235 HIS C . 18200 1 1162 . 1 1 115 115 HIS CA C 13 55.399 0.300 . 1 . . . . 235 HIS CA . 18200 1 1163 . 1 1 115 115 HIS CB C 13 28.895 0.300 . 1 . . . . 235 HIS CB . 18200 1 1164 . 1 1 115 115 HIS N N 15 115.690 0.300 . 1 . . . . 235 HIS N . 18200 1 1165 . 1 1 116 116 ALA H H 1 6.585 0.020 . 1 . . . . 236 ALA H . 18200 1 1166 . 1 1 116 116 ALA HA H 1 4.532 0.020 . 1 . . . . 236 ALA HA . 18200 1 1167 . 1 1 116 116 ALA HB1 H 1 0.894 0.020 . 1 . . . . 236 ALA HB . 18200 1 1168 . 1 1 116 116 ALA HB2 H 1 0.894 0.020 . 1 . . . . 236 ALA HB . 18200 1 1169 . 1 1 116 116 ALA HB3 H 1 0.894 0.020 . 1 . . . . 236 ALA HB . 18200 1 1170 . 1 1 116 116 ALA C C 13 175.951 0.300 . 1 . . . . 236 ALA C . 18200 1 1171 . 1 1 116 116 ALA CA C 13 51.958 0.300 . 1 . . . . 236 ALA CA . 18200 1 1172 . 1 1 116 116 ALA CB C 13 21.835 0.300 . 1 . . . . 236 ALA CB . 18200 1 1173 . 1 1 116 116 ALA N N 15 121.591 0.300 . 1 . . . . 236 ALA N . 18200 1 stop_ save_