data_17138 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17138 _Entry.Title ; Solution structure of the coiled-coil complex between MBD2 and p66alpha ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-20 _Entry.Accession_date 2010-08-20 _Entry.Last_release_date 2012-08-02 _Entry.Original_release_date 2012-08-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 David Williams . C. Jr. 17138 2 Joe Scarsdale . Neel Jr. 17138 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17138 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID coiled-coil . 17138 'DNA methylation' . 17138 MBD2 . 17138 NuRD . 17138 p66alpha . 17138 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17138 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 357 17138 '15N chemical shifts' 74 17138 '1H chemical shifts' 588 17138 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-08-02 2010-08-20 original author . 17138 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L2L 'BMRB Entry Tracking System' 17138 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17138 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure and functional analyses of a coiled-coil interaction between MBD2 and p66alpha integral to the formation of the MeCP1 nucleosome remodeling complex' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Merlin Gnanapragasam . N. . 17138 1 2 Joe Scarsdale . N. Jr. 17138 1 3 Maria Amaya . L. . 17138 1 4 Heather Webb . D. . 17138 1 5 Ninad Walavalkar . M. . 17138 1 6 Gordon Ginder . D. . 17138 1 7 Williams David . C. Jr. 17138 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17138 _Assembly.ID 1 _Assembly.Name 'MBD2/p66-alpha complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 p66-alpha 1 $p66-alpha A . yes native no no . . . 17138 1 2 MBD2 2 $MBD2 B . yes native no no . . . 17138 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p66-alpha _Entity.Sf_category entity _Entity.Sf_framecode p66-alpha _Entity.Entry_ID 17138 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p66-alpha _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSPEERERMIKQLKEELRLE EAKLVLLKKLRQSQIQKEAT AQK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'N-terminal Gly-Ser residues represent non-native sequence from an affinity tag.' _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 43 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'coiled-coil domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5116.060 _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 2L2L . "Solution Structure Of The Coiled-Coil Complex Between Mbd2 And P66alpha" . . . . . 100.00 43 100.00 100.00 1.62e-17 . . . . 17138 1 2 no DBJ BAC40736 . "unnamed protein product [Mus musculus]" . . . . . 81.40 491 100.00 100.00 1.46e-10 . . . . 17138 1 3 no DBJ BAE89133 . "unnamed protein product [Macaca fascicularis]" . . . . . 97.67 166 100.00 100.00 7.73e-17 . . . . 17138 1 4 no DBJ BAG59359 . "unnamed protein product [Homo sapiens]" . . . . . 81.40 436 100.00 100.00 1.19e-10 . . . . 17138 1 5 no DBJ BAG73190 . "GATA zinc finger domain containing 2A [synthetic construct]" . . . . . 97.67 634 100.00 100.00 2.72e-15 . . . . 17138 1 6 no EMBL CAH65456 . "hypothetical protein RCJMB04_39e8 [Gallus gallus]" . . . . . 97.67 569 97.62 97.62 1.60e-14 . . . . 17138 1 7 no GB AAH11684 . "GATA zinc finger domain containing 2A [Homo sapiens]" . . . . . 81.40 490 100.00 100.00 1.17e-10 . . . . 17138 1 8 no GB AAH38221 . "Gatad2a protein [Mus musculus]" . . . . . 97.67 629 100.00 100.00 2.77e-15 . . . . 17138 1 9 no GB AAH89902 . "Gatad2a protein [Rattus norvegicus]" . . . . . 81.40 491 100.00 100.00 1.39e-10 . . . . 17138 1 10 no GB AAO31797 . "p66 alpha [Homo sapiens]" . . . . . 97.67 633 100.00 100.00 2.64e-15 . . . . 17138 1 11 no GB ABZ92025 . "GATA zinc finger domain containing 2A [synthetic construct]" . . . . . 81.40 490 100.00 100.00 1.17e-10 . . . . 17138 1 12 no REF NP_001012570 . "GATA zinc finger domain containing 2A [Gallus gallus]" . . . . . 97.67 569 97.62 97.62 1.45e-14 . . . . 17138 1 13 no REF NP_001013903 . "transcriptional repressor p66-alpha [Rattus norvegicus]" . . . . . 97.67 630 100.00 100.00 2.70e-15 . . . . 17138 1 14 no REF NP_001106817 . "transcriptional repressor p66 alpha isoform b [Mus musculus]" . . . . . 97.67 629 100.00 100.00 2.77e-15 . . . . 17138 1 15 no REF NP_001273379 . "transcriptional repressor p66 alpha isoform d [Mus musculus]" . . . . . 97.67 631 100.00 100.00 3.56e-15 . . . . 17138 1 16 no REF NP_001287875 . "transcriptional repressor p66-alpha isoform 1 [Homo sapiens]" . . . . . 97.67 634 100.00 100.00 2.72e-15 . . . . 17138 1 17 no SP Q86YP4 . "RecName: Full=Transcriptional repressor p66-alpha; Short=Hp66alpha; AltName: Full=GATA zinc finger domain-containing protein 2A" . . . . . 97.67 633 100.00 100.00 2.64e-15 . . . . 17138 1 18 no SP Q8CHY6 . "RecName: Full=Transcriptional repressor p66 alpha; AltName: Full=GATA zinc finger domain-containing protein 2A" . . . . . 97.67 629 100.00 100.00 2.77e-15 . . . . 17138 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 1 136 GLY . 17138 1 2 137 SER . 17138 1 3 138 PRO . 17138 1 4 139 GLU . 17138 1 5 140 GLU . 17138 1 6 141 ARG . 17138 1 7 142 GLU . 17138 1 8 143 ARG . 17138 1 9 144 MET . 17138 1 10 145 ILE . 17138 1 11 146 LYS . 17138 1 12 147 GLN . 17138 1 13 148 LEU . 17138 1 14 149 LYS . 17138 1 15 150 GLU . 17138 1 16 151 GLU . 17138 1 17 152 LEU . 17138 1 18 153 ARG . 17138 1 19 154 LEU . 17138 1 20 155 GLU . 17138 1 21 156 GLU . 17138 1 22 157 ALA . 17138 1 23 158 LYS . 17138 1 24 159 LEU . 17138 1 25 160 VAL . 17138 1 26 161 LEU . 17138 1 27 162 LEU . 17138 1 28 163 LYS . 17138 1 29 164 LYS . 17138 1 30 165 LEU . 17138 1 31 166 ARG . 17138 1 32 167 GLN . 17138 1 33 168 SER . 17138 1 34 169 GLN . 17138 1 35 170 ILE . 17138 1 36 171 GLN . 17138 1 37 172 LYS . 17138 1 38 173 GLU . 17138 1 39 174 ALA . 17138 1 40 175 THR . 17138 1 41 176 ALA . 17138 1 42 177 GLN . 17138 1 43 178 LYS . 17138 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 . GLY 1 1 17138 1 . SER 2 2 17138 1 . PRO 3 3 17138 1 . GLU 4 4 17138 1 . GLU 5 5 17138 1 . ARG 6 6 17138 1 . GLU 7 7 17138 1 . ARG 8 8 17138 1 . MET 9 9 17138 1 . ILE 10 10 17138 1 . LYS 11 11 17138 1 . GLN 12 12 17138 1 . LEU 13 13 17138 1 . LYS 14 14 17138 1 . GLU 15 15 17138 1 . GLU 16 16 17138 1 . LEU 17 17 17138 1 . ARG 18 18 17138 1 . LEU 19 19 17138 1 . GLU 20 20 17138 1 . GLU 21 21 17138 1 . ALA 22 22 17138 1 . LYS 23 23 17138 1 . LEU 24 24 17138 1 . VAL 25 25 17138 1 . LEU 26 26 17138 1 . LEU 27 27 17138 1 . LYS 28 28 17138 1 . LYS 29 29 17138 1 . LEU 30 30 17138 1 . ARG 31 31 17138 1 . GLN 32 32 17138 1 . SER 33 33 17138 1 . GLN 34 34 17138 1 . ILE 35 35 17138 1 . GLN 36 36 17138 1 . LYS 37 37 17138 1 . GLU 38 38 17138 1 . ALA 39 39 17138 1 . THR 40 40 17138 1 . ALA 41 41 17138 1 . GLN 42 42 17138 1 . LYS 43 43 17138 1 stop_ save_ save_MBD2 _Entity.Sf_category entity _Entity.Sf_framecode MBD2 _Entity.Entry_ID 17138 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name MBD2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSKAFIVTDEDIRKQEERVQ QVRKKLEEALMADILS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'N-terminal Gly-Ser residues represent non-native sequence from an affinity tag. Numbering reflects the MBD2b isoform.' _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 36 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'coiled-coil domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4181.826 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 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 2L2L . "Solution Structure Of The Coiled-Coil Complex Between Mbd2 And P66alpha" . . . . . 100.00 36 100.00 100.00 8.74e-15 . . . . 17138 2 2 no EMBL CAH10725 . "hypothetical protein [Homo sapiens]" . . . . . 97.22 76 97.14 97.14 4.88e-13 . . . . 17138 2 3 no GB AAC18050 . "antigen NY-CO-41, partial [Homo sapiens]" . . . . . 94.44 200 100.00 100.00 7.37e-13 . . . . 17138 2 4 no GB AAC68871 . "methyl-CpG binding protein MBD2 [Homo sapiens]" . . . . . 94.44 411 100.00 100.00 1.30e-10 . . . . 17138 2 5 no GB AAC68872 . "methyl-CpG binding protein MBD2 [Mus musculus]" . . . . . 94.44 414 100.00 100.00 9.27e-11 . . . . 17138 2 6 no GB AAD50372 . "methyl-CpG binding protein 2 [Mus musculus]" . . . . . 94.44 414 100.00 100.00 9.27e-11 . . . . 17138 2 7 no GB AAD56597 . "methyl-CpG binding protein 2 [Homo sapiens]" . . . . . 94.44 411 100.00 100.00 1.30e-10 . . . . 17138 2 8 no REF NP_001108497 . "methyl-CpG-binding domain protein 2 [Rattus norvegicus]" . . . . . 94.44 412 97.06 100.00 2.84e-10 . . . . 17138 2 9 no REF NP_003918 . "methyl-CpG-binding domain protein 2 isoform 1 [Homo sapiens]" . . . . . 94.44 411 100.00 100.00 1.30e-10 . . . . 17138 2 10 no REF NP_034903 . "methyl-CpG-binding domain protein 2 [Mus musculus]" . . . . . 94.44 414 100.00 100.00 9.27e-11 . . . . 17138 2 11 no REF XP_001082249 . "PREDICTED: methyl-CpG-binding domain protein 2 [Macaca mulatta]" . . . . . 94.44 412 100.00 100.00 1.54e-10 . . . . 17138 2 12 no REF XP_001362190 . "PREDICTED: methyl-CpG-binding domain protein 2 [Monodelphis domestica]" . . . . . 94.44 416 100.00 100.00 1.56e-10 . . . . 17138 2 13 no SP Q9UBB5 . "RecName: Full=Methyl-CpG-binding domain protein 2; AltName: Full=Demethylase; Short=DMTase; AltName: Full=Methyl-CpG-binding pr" . . . . . 94.44 411 100.00 100.00 1.30e-10 . . . . 17138 2 14 no SP Q9Z2E1 . "RecName: Full=Methyl-CpG-binding domain protein 2; AltName: Full=Methyl-CpG-binding protein MBD2 [Mus musculus]" . . . . . 94.44 414 100.00 100.00 9.27e-11 . . . . 17138 2 15 no TPG DAA15869 . "TPA: methyl-CpG binding domain protein 2-like [Bos taurus]" . . . . . 94.44 199 100.00 100.00 8.18e-13 . . . . 17138 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 209 GLY . 17138 2 2 210 SER . 17138 2 3 211 LYS . 17138 2 4 212 ALA . 17138 2 5 213 PHE . 17138 2 6 214 ILE . 17138 2 7 215 VAL . 17138 2 8 216 THR . 17138 2 9 217 ASP . 17138 2 10 218 GLU . 17138 2 11 219 ASP . 17138 2 12 220 ILE . 17138 2 13 221 ARG . 17138 2 14 222 LYS . 17138 2 15 223 GLN . 17138 2 16 224 GLU . 17138 2 17 225 GLU . 17138 2 18 226 ARG . 17138 2 19 227 VAL . 17138 2 20 228 GLN . 17138 2 21 229 GLN . 17138 2 22 230 VAL . 17138 2 23 231 ARG . 17138 2 24 232 LYS . 17138 2 25 233 LYS . 17138 2 26 234 LEU . 17138 2 27 235 GLU . 17138 2 28 236 GLU . 17138 2 29 237 ALA . 17138 2 30 238 LEU . 17138 2 31 239 MET . 17138 2 32 240 ALA . 17138 2 33 241 ASP . 17138 2 34 242 ILE . 17138 2 35 243 LEU . 17138 2 36 244 SER . 17138 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17138 2 . SER 2 2 17138 2 . LYS 3 3 17138 2 . ALA 4 4 17138 2 . PHE 5 5 17138 2 . ILE 6 6 17138 2 . VAL 7 7 17138 2 . THR 8 8 17138 2 . ASP 9 9 17138 2 . GLU 10 10 17138 2 . ASP 11 11 17138 2 . ILE 12 12 17138 2 . ARG 13 13 17138 2 . LYS 14 14 17138 2 . GLN 15 15 17138 2 . GLU 16 16 17138 2 . GLU 17 17 17138 2 . ARG 18 18 17138 2 . VAL 19 19 17138 2 . GLN 20 20 17138 2 . GLN 21 21 17138 2 . VAL 22 22 17138 2 . ARG 23 23 17138 2 . LYS 24 24 17138 2 . LYS 25 25 17138 2 . LEU 26 26 17138 2 . GLU 27 27 17138 2 . GLU 28 28 17138 2 . ALA 29 29 17138 2 . LEU 30 30 17138 2 . MET 31 31 17138 2 . ALA 32 32 17138 2 . ASP 33 33 17138 2 . ILE 34 34 17138 2 . LEU 35 35 17138 2 . SER 36 36 17138 2 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 17138 _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 $p66-alpha . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17138 1 2 2 $MBD2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17138 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 17138 _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 $p66-alpha . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET32a . . . . . . 17138 1 2 2 $MBD2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET32a . . . . . . 17138 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N13Cp66a:MBD2 _Sample.Sf_category sample _Sample.Sf_framecode 15N13Cp66a:MBD2 _Sample.Entry_ID 17138 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1:1 molar mixture of 15N13C-p66a and unlabeled MBD2' _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 p66-alpha '[U-99% 13C; U-99% 15N]' . . 1 $p66-alpha . . 1.0 . . mM . . . . 17138 1 2 MBD2 'natural abundance' . . 2 $MBD2 . . 1.0 . . mM . . . . 17138 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17138 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17138 1 stop_ save_ save_15N13CMBD2:p66a _Sample.Sf_category sample _Sample.Sf_framecode 15N13CMBD2:p66a _Sample.Entry_ID 17138 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1:1 molar ratio of 13C15N-MBD2 and unlabeled p66a' _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 MBD2 '[U-100% 13C; U-100% 15N]' . . 1 $p66-alpha . . 1.0 . . mM . . . . 17138 2 2 p66-alpha 'natural abundance' . . 2 $MBD2 . . 1.0 . . mM . . . . 17138 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17138 2 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17138 2 stop_ save_ save_2H15N13Cp66a:2H15N13CMBD2 _Sample.Sf_category sample _Sample.Sf_framecode 2H15N13Cp66a:2H15N13CMBD2 _Sample.Entry_ID 17138 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'triple labeled sample for RDC measurements' _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 p66-alpha '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $p66-alpha . . 1.0 . . mM . . . . 17138 3 2 MBD2 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 2 $MBD2 . . 1.0 . . mM . . . . 17138 3 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17138 3 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17138 3 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 17138 _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' 0.02 . M 17138 1 pH 6.5 . pH 17138 1 pressure 1 . atm 17138 1 temperature 298 . K 17138 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17138 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17138 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17138 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 17138 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 17138 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17138 2 'data analysis' 17138 2 'peak picking' 17138 2 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 17138 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _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 17138 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 17138 _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 Varian UnityPlus . 500 . . . 17138 1 2 spectrometer_2 Bruker Avance . 700 . . . 17138 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 17138 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . 1 $15N13Cp66a:MBD2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17138 1 2 '3D HNCA' no . . . . . . . . . . 1 $15N13Cp66a:MBD2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17138 1 3 '3D HNCACB' no . . . . . . . . . . 1 $15N13Cp66a:MBD2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17138 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $15N13Cp66a:MBD2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17138 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $15N13Cp66a:MBD2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17138 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $15N13Cp66a:MBD2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17138 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N13Cp66a:MBD2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17138 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $15N13Cp66a:MBD2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17138 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $15N13Cp66a:MBD2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17138 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N13Cp66a:MBD2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17138 1 11 '3D HNCO' no . . . . . . . . . . 2 $15N13CMBD2:p66a isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17138 1 12 '3D HNCA' no . . . . . . . . . . 2 $15N13CMBD2:p66a isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17138 1 13 '3D HNCACB' no . . . . . . . . . . 2 $15N13CMBD2:p66a isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17138 1 14 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $15N13CMBD2:p66a isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17138 1 15 '3D HN(CO)CA' no . . . . . . . . . . 2 $15N13CMBD2:p66a isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17138 1 16 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $15N13CMBD2:p66a isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17138 1 17 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $15N13CMBD2:p66a isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17138 1 18 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $15N13CMBD2:p66a isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17138 1 19 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $15N13CMBD2:p66a isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17138 1 20 '3D C(CO)NH' no . . . . . . . . . . 2 $15N13CMBD2:p66a isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17138 1 21 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $15N13CMBD2:p66a isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17138 1 22 '3D HNCO' no . . . . . . . . . . 3 $2H15N13Cp66a:2H15N13CMBD2 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17138 1 stop_ 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 17138 _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 . . . . . . . . . 17138 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17138 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17138 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 17138 _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 1 '3D HNCO' . . . 17138 1 4 '3D HBHA(CO)NH' . . . 17138 1 9 '3D C(CO)NH' . . . 17138 1 11 '3D HNCO' . . . 17138 1 14 '3D HBHA(CO)NH' . . . 17138 1 16 '3D HCCH-TOCSY' . . . 17138 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 PRO HA H 1 4.3587 0.03 . 1 . . . . 138 PRO HA . 17138 1 2 . 1 1 3 3 PRO HB2 H 1 2.4493 0.03 . 2 . . . . 138 PRO HB1 . 17138 1 3 . 1 1 3 3 PRO HB3 H 1 2.0047 0.03 . 2 . . . . 138 PRO HB2 . 17138 1 4 . 1 1 3 3 PRO HD2 H 1 3.9710 0.03 . 1 . . . . 138 PRO HD# . 17138 1 5 . 1 1 3 3 PRO HD3 H 1 3.9710 0.03 . 1 . . . . 138 PRO HD# . 17138 1 6 . 1 1 3 3 PRO HG2 H 1 2.2355 0.03 . 2 . . . . 138 PRO HG1 . 17138 1 7 . 1 1 3 3 PRO HG3 H 1 2.0720 0.03 . 2 . . . . 138 PRO HG2 . 17138 1 8 . 1 1 3 3 PRO C C 13 179.0003 0.2 . 1 . . . . 138 PRO C . 17138 1 9 . 1 1 3 3 PRO CA C 13 65.5581 0.2 . 1 . . . . 138 PRO CA . 17138 1 10 . 1 1 3 3 PRO CB C 13 31.7785 0.2 . 1 . . . . 138 PRO CB . 17138 1 11 . 1 1 3 3 PRO CD C 13 50.8834 0.2 . 1 . . . . 138 PRO CD . 17138 1 12 . 1 1 3 3 PRO CG C 13 27.9928 0.2 . 1 . . . . 138 PRO CG . 17138 1 13 . 1 1 4 4 GLU H H 1 8.6850 0.03 . 1 . . . . 139 GLU HN . 17138 1 14 . 1 1 4 4 GLU HA H 1 4.1370 0.03 . 1 . . . . 139 GLU HA . 17138 1 15 . 1 1 4 4 GLU HB2 H 1 2.0000 0.03 . 1 . . . . 139 GLU HB# . 17138 1 16 . 1 1 4 4 GLU HB3 H 1 2.0000 0.03 . 1 . . . . 139 GLU HB# . 17138 1 17 . 1 1 4 4 GLU HG2 H 1 2.4110 0.03 . 2 . . . . 139 GLU HG1 . 17138 1 18 . 1 1 4 4 GLU HG3 H 1 2.3150 0.03 . 2 . . . . 139 GLU HG2 . 17138 1 19 . 1 1 4 4 GLU C C 13 179.0907 0.2 . 1 . . . . 139 GLU C . 17138 1 20 . 1 1 4 4 GLU CA C 13 59.8555 0.2 . 1 . . . . 139 GLU CA . 17138 1 21 . 1 1 4 4 GLU CB C 13 29.0252 0.2 . 1 . . . . 139 GLU CB . 17138 1 22 . 1 1 4 4 GLU CG C 13 36.8839 0.2 . 1 . . . . 139 GLU CG . 17138 1 23 . 1 1 4 4 GLU N N 15 118.4730 0.2 . 1 . . . . 139 GLU N . 17138 1 24 . 1 1 5 5 GLU H H 1 7.9650 0.03 . 1 . . . . 140 GLU HN . 17138 1 25 . 1 1 5 5 GLU HA H 1 4.0510 0.03 . 1 . . . . 140 GLU HA . 17138 1 26 . 1 1 5 5 GLU HB2 H 1 2.1250 0.03 . 1 . . . . 140 GLU HB# . 17138 1 27 . 1 1 5 5 GLU HB3 H 1 2.1250 0.03 . 1 . . . . 140 GLU HB# . 17138 1 28 . 1 1 5 5 GLU HG2 H 1 2.3300 0.03 . 1 . . . . 140 GLU HG# . 17138 1 29 . 1 1 5 5 GLU HG3 H 1 2.3300 0.03 . 1 . . . . 140 GLU HG# . 17138 1 30 . 1 1 5 5 GLU C C 13 179.0016 0.2 . 1 . . . . 140 GLU C . 17138 1 31 . 1 1 5 5 GLU CA C 13 59.0834 0.2 . 1 . . . . 140 GLU CA . 17138 1 32 . 1 1 5 5 GLU CB C 13 29.4334 0.2 . 1 . . . . 140 GLU CB . 17138 1 33 . 1 1 5 5 GLU CG C 13 36.5240 0.2 . 1 . . . . 140 GLU CG . 17138 1 34 . 1 1 5 5 GLU N N 15 120.9290 0.2 . 1 . . . . 140 GLU N . 17138 1 35 . 1 1 6 6 ARG H H 1 8.0650 0.03 . 1 . . . . 141 ARG HN . 17138 1 36 . 1 1 6 6 ARG HA H 1 4.1310 0.03 . 1 . . . . 141 ARG HA . 17138 1 37 . 1 1 6 6 ARG HB2 H 1 1.9560 0.03 . 1 . . . . 141 ARG HB# . 17138 1 38 . 1 1 6 6 ARG HB3 H 1 1.9560 0.03 . 1 . . . . 141 ARG HB# . 17138 1 39 . 1 1 6 6 ARG HD2 H 1 3.2480 0.03 . 1 . . . . 141 ARG HD# . 17138 1 40 . 1 1 6 6 ARG HD3 H 1 3.2480 0.03 . 1 . . . . 141 ARG HD# . 17138 1 41 . 1 1 6 6 ARG HG2 H 1 1.8060 0.03 . 2 . . . . 141 ARG HG1 . 17138 1 42 . 1 1 6 6 ARG HG3 H 1 1.6100 0.03 . 2 . . . . 141 ARG HG2 . 17138 1 43 . 1 1 6 6 ARG C C 13 178.1925 0.2 . 1 . . . . 141 ARG C . 17138 1 44 . 1 1 6 6 ARG CA C 13 59.5256 0.2 . 1 . . . . 141 ARG CA . 17138 1 45 . 1 1 6 6 ARG CB C 13 29.9670 0.2 . 1 . . . . 141 ARG CB . 17138 1 46 . 1 1 6 6 ARG CD C 13 43.4668 0.2 . 1 . . . . 141 ARG CD . 17138 1 47 . 1 1 6 6 ARG CG C 13 27.5732 0.2 . 1 . . . . 141 ARG CG . 17138 1 48 . 1 1 6 6 ARG N N 15 121.1059 0.2 . 1 . . . . 141 ARG N . 17138 1 49 . 1 1 7 7 GLU H H 1 8.1390 0.03 . 1 . . . . 142 GLU HN . 17138 1 50 . 1 1 7 7 GLU HA H 1 4.0060 0.03 . 1 . . . . 142 GLU HA . 17138 1 51 . 1 1 7 7 GLU HB2 H 1 2.1310 0.03 . 1 . . . . 142 GLU HB# . 17138 1 52 . 1 1 7 7 GLU HB3 H 1 2.1310 0.03 . 1 . . . . 142 GLU HB# . 17138 1 53 . 1 1 7 7 GLU HG2 H 1 2.3950 0.03 . 2 . . . . 142 GLU HG1 . 17138 1 54 . 1 1 7 7 GLU HG3 H 1 2.2800 0.03 . 2 . . . . 142 GLU HG2 . 17138 1 55 . 1 1 7 7 GLU C C 13 179.1708 0.2 . 1 . . . . 142 GLU C . 17138 1 56 . 1 1 7 7 GLU CA C 13 59.5105 0.2 . 1 . . . . 142 GLU CA . 17138 1 57 . 1 1 7 7 GLU CB C 13 29.3761 0.2 . 1 . . . . 142 GLU CB . 17138 1 58 . 1 1 7 7 GLU CG C 13 35.9949 0.2 . 1 . . . . 142 GLU CG . 17138 1 59 . 1 1 7 7 GLU N N 15 118.5815 0.2 . 1 . . . . 142 GLU N . 17138 1 60 . 1 1 8 8 ARG H H 1 7.9350 0.03 . 1 . . . . 143 ARG HN . 17138 1 61 . 1 1 8 8 ARG HA H 1 4.0285 0.03 . 1 . . . . 143 ARG HA . 17138 1 62 . 1 1 8 8 ARG HB2 H 1 1.9690 0.03 . 1 . . . . 143 ARG HB# . 17138 1 63 . 1 1 8 8 ARG HB3 H 1 1.9690 0.03 . 1 . . . . 143 ARG HB# . 17138 1 64 . 1 1 8 8 ARG HD2 H 1 3.2430 0.03 . 1 . . . . 143 ARG HD# . 17138 1 65 . 1 1 8 8 ARG HD3 H 1 3.2430 0.03 . 1 . . . . 143 ARG HD# . 17138 1 66 . 1 1 8 8 ARG HG2 H 1 1.8133 0.03 . 2 . . . . 143 ARG HG1 . 17138 1 67 . 1 1 8 8 ARG HG3 H 1 1.6273 0.03 . 2 . . . . 143 ARG HG2 . 17138 1 68 . 1 1 8 8 ARG C C 13 178.7717 0.2 . 1 . . . . 143 ARG C . 17138 1 69 . 1 1 8 8 ARG CA C 13 59.6978 0.2 . 1 . . . . 143 ARG CA . 17138 1 70 . 1 1 8 8 ARG CB C 13 30.1615 0.2 . 1 . . . . 143 ARG CB . 17138 1 71 . 1 1 8 8 ARG CD C 13 43.5146 0.2 . 1 . . . . 143 ARG CD . 17138 1 72 . 1 1 8 8 ARG CG C 13 27.5382 0.2 . 1 . . . . 143 ARG CG . 17138 1 73 . 1 1 8 8 ARG N N 15 119.4317 0.2 . 1 . . . . 143 ARG N . 17138 1 74 . 1 1 9 9 MET H H 1 8.0420 0.03 . 1 . . . . 144 MET HN . 17138 1 75 . 1 1 9 9 MET HA H 1 4.2795 0.03 . 1 . . . . 144 MET HA . 17138 1 76 . 1 1 9 9 MET HB2 H 1 2.2843 0.03 . 1 . . . . 144 MET HB# . 17138 1 77 . 1 1 9 9 MET HB3 H 1 2.2843 0.03 . 1 . . . . 144 MET HB# . 17138 1 78 . 1 1 9 9 MET HE1 H 1 2.1260 0.03 . 1 . . . . 144 MET HE# . 17138 1 79 . 1 1 9 9 MET HE2 H 1 2.1260 0.03 . 1 . . . . 144 MET HE# . 17138 1 80 . 1 1 9 9 MET HE3 H 1 2.1260 0.03 . 1 . . . . 144 MET HE# . 17138 1 81 . 1 1 9 9 MET HG2 H 1 2.6915 0.03 . 2 . . . . 144 MET HG1 . 17138 1 82 . 1 1 9 9 MET HG3 H 1 2.5810 0.03 . 2 . . . . 144 MET HG2 . 17138 1 83 . 1 1 9 9 MET C C 13 178.4698 0.2 . 1 . . . . 144 MET C . 17138 1 84 . 1 1 9 9 MET CA C 13 58.4833 0.2 . 1 . . . . 144 MET CA . 17138 1 85 . 1 1 9 9 MET CB C 13 32.0044 0.2 . 1 . . . . 144 MET CB . 17138 1 86 . 1 1 9 9 MET CE C 13 16.9758 0.2 . 1 . . . . 144 MET CE . 17138 1 87 . 1 1 9 9 MET CG C 13 31.6853 0.2 . 1 . . . . 144 MET CG . 17138 1 88 . 1 1 9 9 MET N N 15 120.1733 0.2 . 1 . . . . 144 MET N . 17138 1 89 . 1 1 10 10 ILE H H 1 8.3380 0.03 . 1 . . . . 145 ILE HN . 17138 1 90 . 1 1 10 10 ILE HA H 1 3.5325 0.03 . 1 . . . . 145 ILE HA . 17138 1 91 . 1 1 10 10 ILE HB H 1 1.9420 0.03 . 1 . . . . 145 ILE HB . 17138 1 92 . 1 1 10 10 ILE HD11 H 1 0.8315 0.03 . 1 . . . . 145 ILE HD1# . 17138 1 93 . 1 1 10 10 ILE HD12 H 1 0.8315 0.03 . 1 . . . . 145 ILE HD1# . 17138 1 94 . 1 1 10 10 ILE HD13 H 1 0.8315 0.03 . 1 . . . . 145 ILE HD1# . 17138 1 95 . 1 1 10 10 ILE HG12 H 1 1.7795 0.03 . 2 . . . . 145 ILE HG11 . 17138 1 96 . 1 1 10 10 ILE HG13 H 1 0.9575 0.03 . 2 . . . . 145 ILE HG12 . 17138 1 97 . 1 1 10 10 ILE HG21 H 1 0.9085 0.03 . 1 . . . . 145 ILE HG2# . 17138 1 98 . 1 1 10 10 ILE HG22 H 1 0.9085 0.03 . 1 . . . . 145 ILE HG2# . 17138 1 99 . 1 1 10 10 ILE HG23 H 1 0.9085 0.03 . 1 . . . . 145 ILE HG2# . 17138 1 100 . 1 1 10 10 ILE C C 13 177.5418 0.2 . 1 . . . . 145 ILE C . 17138 1 101 . 1 1 10 10 ILE CA C 13 65.7533 0.2 . 1 . . . . 145 ILE CA . 17138 1 102 . 1 1 10 10 ILE CB C 13 37.8730 0.2 . 1 . . . . 145 ILE CB . 17138 1 103 . 1 1 10 10 ILE CD1 C 13 13.4576 0.2 . 1 . . . . 145 ILE CD1 . 17138 1 104 . 1 1 10 10 ILE CG1 C 13 30.4872 0.2 . 1 . . . . 145 ILE CG1 . 17138 1 105 . 1 1 10 10 ILE CG2 C 13 17.6562 0.2 . 1 . . . . 145 ILE CG2 . 17138 1 106 . 1 1 10 10 ILE N N 15 120.3126 0.2 . 1 . . . . 145 ILE N . 17138 1 107 . 1 1 11 11 LYS H H 1 8.0850 0.03 . 1 . . . . 146 LYS HN . 17138 1 108 . 1 1 11 11 LYS HA H 1 3.9260 0.03 . 1 . . . . 146 LYS HA . 17138 1 109 . 1 1 11 11 LYS HB2 H 1 1.9700 0.03 . 1 . . . . 146 LYS HB# . 17138 1 110 . 1 1 11 11 LYS HB3 H 1 1.9700 0.03 . 1 . . . . 146 LYS HB# . 17138 1 111 . 1 1 11 11 LYS HD2 H 1 1.7180 0.03 . 1 . . . . 146 LYS HD# . 17138 1 112 . 1 1 11 11 LYS HD3 H 1 1.7180 0.03 . 1 . . . . 146 LYS HD# . 17138 1 113 . 1 1 11 11 LYS HE2 H 1 3.0192 0.03 . 1 . . . . 146 LYS HE# . 17138 1 114 . 1 1 11 11 LYS HE3 H 1 3.0192 0.03 . 1 . . . . 146 LYS HE# . 17138 1 115 . 1 1 11 11 LYS HG2 H 1 1.6515 0.03 . 2 . . . . 146 LYS HG1 . 17138 1 116 . 1 1 11 11 LYS HG3 H 1 1.4475 0.03 . 2 . . . . 146 LYS HG2 . 17138 1 117 . 1 1 11 11 LYS C C 13 179.6023 0.2 . 1 . . . . 146 LYS C . 17138 1 118 . 1 1 11 11 LYS CA C 13 60.4589 0.2 . 1 . . . . 146 LYS CA . 17138 1 119 . 1 1 11 11 LYS CB C 13 32.5412 0.2 . 1 . . . . 146 LYS CB . 17138 1 120 . 1 1 11 11 LYS CD C 13 29.3790 0.2 . 1 . . . . 146 LYS CD . 17138 1 121 . 1 1 11 11 LYS CE C 13 42.1609 0.2 . 1 . . . . 146 LYS CE . 17138 1 122 . 1 1 11 11 LYS CG C 13 25.5820 0.2 . 1 . . . . 146 LYS CG . 17138 1 123 . 1 1 11 11 LYS N N 15 119.2550 0.2 . 1 . . . . 146 LYS N . 17138 1 124 . 1 1 12 12 GLN H H 1 8.0930 0.03 . 1 . . . . 147 GLN HN . 17138 1 125 . 1 1 12 12 GLN HA H 1 4.1330 0.03 . 1 . . . . 147 GLN HA . 17138 1 126 . 1 1 12 12 GLN HB2 H 1 2.2370 0.03 . 1 . . . . 147 GLN HB# . 17138 1 127 . 1 1 12 12 GLN HB3 H 1 2.2370 0.03 . 1 . . . . 147 GLN HB# . 17138 1 128 . 1 1 12 12 GLN HG2 H 1 2.5470 0.03 . 2 . . . . 147 GLN HG1 . 17138 1 129 . 1 1 12 12 GLN HG3 H 1 2.4280 0.03 . 2 . . . . 147 GLN HG2 . 17138 1 130 . 1 1 12 12 GLN C C 13 179.0960 0.2 . 1 . . . . 147 GLN C . 17138 1 131 . 1 1 12 12 GLN CA C 13 59.0485 0.2 . 1 . . . . 147 GLN CA . 17138 1 132 . 1 1 12 12 GLN CB C 13 28.3708 0.2 . 1 . . . . 147 GLN CB . 17138 1 133 . 1 1 12 12 GLN CG C 13 33.9222 0.2 . 1 . . . . 147 GLN CG . 17138 1 134 . 1 1 12 12 GLN N N 15 119.0665 0.2 . 1 . . . . 147 GLN N . 17138 1 135 . 1 1 13 13 LEU H H 1 8.4610 0.03 . 1 . . . . 148 LEU HN . 17138 1 136 . 1 1 13 13 LEU HA H 1 4.2180 0.03 . 1 . . . . 148 LEU HA . 17138 1 137 . 1 1 13 13 LEU HB2 H 1 2.0830 0.03 . 2 . . . . 148 LEU HB1 . 17138 1 138 . 1 1 13 13 LEU HB3 H 1 1.2660 0.03 . 2 . . . . 148 LEU HB2 . 17138 1 139 . 1 1 13 13 LEU HD11 H 1 0.9580 0.03 . 2 . . . . 148 LEU HD1# . 17138 1 140 . 1 1 13 13 LEU HD12 H 1 0.9580 0.03 . 2 . . . . 148 LEU HD1# . 17138 1 141 . 1 1 13 13 LEU HD13 H 1 0.9580 0.03 . 2 . . . . 148 LEU HD1# . 17138 1 142 . 1 1 13 13 LEU HD21 H 1 0.7985 0.03 . 2 . . . . 148 LEU HD2# . 17138 1 143 . 1 1 13 13 LEU HD22 H 1 0.7985 0.03 . 2 . . . . 148 LEU HD2# . 17138 1 144 . 1 1 13 13 LEU HD23 H 1 0.7985 0.03 . 2 . . . . 148 LEU HD2# . 17138 1 145 . 1 1 13 13 LEU HG H 1 1.8980 0.03 . 1 . . . . 148 LEU HG . 17138 1 146 . 1 1 13 13 LEU C C 13 179.0234 0.2 . 1 . . . . 148 LEU C . 17138 1 147 . 1 1 13 13 LEU CA C 13 57.9372 0.2 . 1 . . . . 148 LEU CA . 17138 1 148 . 1 1 13 13 LEU CB C 13 43.8261 0.2 . 1 . . . . 148 LEU CB . 17138 1 149 . 1 1 13 13 LEU CD1 C 13 23.3755 0.2 . 2 . . . . 148 LEU CD1 . 17138 1 150 . 1 1 13 13 LEU CD2 C 13 26.4453 0.2 . 2 . . . . 148 LEU CD2 . 17138 1 151 . 1 1 13 13 LEU CG C 13 27.4223 0.2 . 1 . . . . 148 LEU CG . 17138 1 152 . 1 1 13 13 LEU N N 15 121.7569 0.2 . 1 . . . . 148 LEU N . 17138 1 153 . 1 1 14 14 LYS H H 1 8.6970 0.03 . 1 . . . . 149 LYS HN . 17138 1 154 . 1 1 14 14 LYS HA H 1 3.9290 0.03 . 1 . . . . 149 LYS HA . 17138 1 155 . 1 1 14 14 LYS HB2 H 1 1.8540 0.03 . 2 . . . . 149 LYS HB1 . 17138 1 156 . 1 1 14 14 LYS HB3 H 1 1.9940 0.03 . 2 . . . . 149 LYS HB2 . 17138 1 157 . 1 1 14 14 LYS HD2 H 1 1.6860 0.03 . 1 . . . . 149 LYS HD# . 17138 1 158 . 1 1 14 14 LYS HD3 H 1 1.6860 0.03 . 1 . . . . 149 LYS HD# . 17138 1 159 . 1 1 14 14 LYS HE2 H 1 2.8290 0.03 . 1 . . . . 149 LYS HE# . 17138 1 160 . 1 1 14 14 LYS HE3 H 1 2.8290 0.03 . 1 . . . . 149 LYS HE# . 17138 1 161 . 1 1 14 14 LYS HG2 H 1 1.3980 0.03 . 1 . . . . 149 LYS HG# . 17138 1 162 . 1 1 14 14 LYS HG3 H 1 1.3980 0.03 . 1 . . . . 149 LYS HG# . 17138 1 163 . 1 1 14 14 LYS C C 13 179.8544 0.2 . 1 . . . . 149 LYS C . 17138 1 164 . 1 1 14 14 LYS CA C 13 60.8134 0.2 . 1 . . . . 149 LYS CA . 17138 1 165 . 1 1 14 14 LYS CB C 13 32.7338 0.2 . 1 . . . . 149 LYS CB . 17138 1 166 . 1 1 14 14 LYS CD C 13 30.0303 0.2 . 1 . . . . 149 LYS CD . 17138 1 167 . 1 1 14 14 LYS CE C 13 42.0128 0.2 . 1 . . . . 149 LYS CE . 17138 1 168 . 1 1 14 14 LYS CG C 13 27.4147 0.2 . 1 . . . . 149 LYS CG . 17138 1 169 . 1 1 14 14 LYS N N 15 118.9095 0.2 . 1 . . . . 149 LYS N . 17138 1 170 . 1 1 15 15 GLU H H 1 7.7790 0.03 . 1 . . . . 150 GLU HN . 17138 1 171 . 1 1 15 15 GLU HA H 1 4.3505 0.03 . 1 . . . . 150 GLU HA . 17138 1 172 . 1 1 15 15 GLU HB2 H 1 2.1280 0.03 . 1 . . . . 150 GLU HB# . 17138 1 173 . 1 1 15 15 GLU HB3 H 1 2.1280 0.03 . 1 . . . . 150 GLU HB# . 17138 1 174 . 1 1 15 15 GLU HG2 H 1 2.3973 0.03 . 1 . . . . 150 GLU HG# . 17138 1 175 . 1 1 15 15 GLU HG3 H 1 2.3973 0.03 . 1 . . . . 150 GLU HG# . 17138 1 176 . 1 1 15 15 GLU C C 13 178.1662 0.2 . 1 . . . . 150 GLU C . 17138 1 177 . 1 1 15 15 GLU CA C 13 58.7092 0.2 . 1 . . . . 150 GLU CA . 17138 1 178 . 1 1 15 15 GLU CB C 13 29.0125 0.2 . 1 . . . . 150 GLU CB . 17138 1 179 . 1 1 15 15 GLU CG C 13 35.5019 0.2 . 1 . . . . 150 GLU CG . 17138 1 180 . 1 1 15 15 GLU N N 15 120.6352 0.2 . 1 . . . . 150 GLU N . 17138 1 181 . 1 1 16 16 GLU H H 1 8.4490 0.03 . 1 . . . . 151 GLU HN . 17138 1 182 . 1 1 16 16 GLU HA H 1 4.0440 0.03 . 1 . . . . 151 GLU HA . 17138 1 183 . 1 1 16 16 GLU HB2 H 1 2.2200 0.03 . 1 . . . . 151 GLU HB# . 17138 1 184 . 1 1 16 16 GLU HB3 H 1 2.2200 0.03 . 1 . . . . 151 GLU HB# . 17138 1 185 . 1 1 16 16 GLU HG2 H 1 2.2320 0.03 . 2 . . . . 151 GLU HG1 . 17138 1 186 . 1 1 16 16 GLU HG3 H 1 2.5233 0.03 . 2 . . . . 151 GLU HG2 . 17138 1 187 . 1 1 16 16 GLU C C 13 178.9360 0.2 . 1 . . . . 151 GLU C . 17138 1 188 . 1 1 16 16 GLU CA C 13 59.9963 0.2 . 1 . . . . 151 GLU CA . 17138 1 189 . 1 1 16 16 GLU CB C 13 29.7110 0.2 . 1 . . . . 151 GLU CB . 17138 1 190 . 1 1 16 16 GLU CG C 13 36.5002 0.2 . 1 . . . . 151 GLU CG . 17138 1 191 . 1 1 16 16 GLU N N 15 122.0723 0.2 . 1 . . . . 151 GLU N . 17138 1 192 . 1 1 17 17 LEU H H 1 8.7490 0.03 . 1 . . . . 152 LEU HN . 17138 1 193 . 1 1 17 17 LEU HA H 1 3.9905 0.03 . 1 . . . . 152 LEU HA . 17138 1 194 . 1 1 17 17 LEU HB2 H 1 2.0650 0.03 . 2 . . . . 152 LEU HB1 . 17138 1 195 . 1 1 17 17 LEU HB3 H 1 1.4810 0.03 . 2 . . . . 152 LEU HB2 . 17138 1 196 . 1 1 17 17 LEU HD11 H 1 0.9700 0.03 . 2 . . . . 152 LEU HD1# . 17138 1 197 . 1 1 17 17 LEU HD12 H 1 0.9700 0.03 . 2 . . . . 152 LEU HD1# . 17138 1 198 . 1 1 17 17 LEU HD13 H 1 0.9700 0.03 . 2 . . . . 152 LEU HD1# . 17138 1 199 . 1 1 17 17 LEU HD21 H 1 0.9155 0.03 . 2 . . . . 152 LEU HD2# . 17138 1 200 . 1 1 17 17 LEU HD22 H 1 0.9155 0.03 . 2 . . . . 152 LEU HD2# . 17138 1 201 . 1 1 17 17 LEU HD23 H 1 0.9155 0.03 . 2 . . . . 152 LEU HD2# . 17138 1 202 . 1 1 17 17 LEU HG H 1 1.6520 0.03 . 1 . . . . 152 LEU HG . 17138 1 203 . 1 1 17 17 LEU C C 13 177.8061 0.2 . 1 . . . . 152 LEU C . 17138 1 204 . 1 1 17 17 LEU CA C 13 58.4629 0.2 . 1 . . . . 152 LEU CA . 17138 1 205 . 1 1 17 17 LEU CB C 13 41.4925 0.2 . 1 . . . . 152 LEU CB . 17138 1 206 . 1 1 17 17 LEU CD1 C 13 24.4204 0.2 . 2 . . . . 152 LEU CD1 . 17138 1 207 . 1 1 17 17 LEU CD2 C 13 27.1089 0.2 . 2 . . . . 152 LEU CD2 . 17138 1 208 . 1 1 17 17 LEU CG C 13 27.0191 0.2 . 1 . . . . 152 LEU CG . 17138 1 209 . 1 1 17 17 LEU N N 15 119.5339 0.2 . 1 . . . . 152 LEU N . 17138 1 210 . 1 1 18 18 ARG H H 1 7.9030 0.03 . 1 . . . . 153 ARG HN . 17138 1 211 . 1 1 18 18 ARG HA H 1 4.1450 0.03 . 1 . . . . 153 ARG HA . 17138 1 212 . 1 1 18 18 ARG HB2 H 1 2.0750 0.03 . 1 . . . . 153 ARG HB# . 17138 1 213 . 1 1 18 18 ARG HB3 H 1 2.0750 0.03 . 1 . . . . 153 ARG HB# . 17138 1 214 . 1 1 18 18 ARG HD2 H 1 3.3460 0.03 . 2 . . . . 153 ARG HD1 . 17138 1 215 . 1 1 18 18 ARG HD3 H 1 3.1540 0.03 . 2 . . . . 153 ARG HD2 . 17138 1 216 . 1 1 18 18 ARG C C 13 180.3087 0.2 . 1 . . . . 153 ARG C . 17138 1 217 . 1 1 18 18 ARG CA C 13 59.6345 0.2 . 1 . . . . 153 ARG CA . 17138 1 218 . 1 1 18 18 ARG CB C 13 30.1869 0.2 . 1 . . . . 153 ARG CB . 17138 1 219 . 1 1 18 18 ARG CD C 13 43.2871 0.2 . 1 . . . . 153 ARG CD . 17138 1 220 . 1 1 18 18 ARG CG C 13 27.3542 0.2 . 1 . . . . 153 ARG CG . 17138 1 221 . 1 1 18 18 ARG N N 15 118.6960 0.2 . 1 . . . . 153 ARG N . 17138 1 222 . 1 1 19 19 LEU H H 1 8.2810 0.03 . 1 . . . . 154 LEU HN . 17138 1 223 . 1 1 19 19 LEU HA H 1 4.1370 0.03 . 1 . . . . 154 LEU HA . 17138 1 224 . 1 1 19 19 LEU HB2 H 1 1.6715 0.03 . 2 . . . . 154 LEU HB1 . 17138 1 225 . 1 1 19 19 LEU HB3 H 1 2.0390 0.03 . 2 . . . . 154 LEU HB2 . 17138 1 226 . 1 1 19 19 LEU HD11 H 1 0.9477 0.03 . 2 . . . . 154 LEU HD1# . 17138 1 227 . 1 1 19 19 LEU HD12 H 1 0.9477 0.03 . 2 . . . . 154 LEU HD1# . 17138 1 228 . 1 1 19 19 LEU HD13 H 1 0.9477 0.03 . 2 . . . . 154 LEU HD1# . 17138 1 229 . 1 1 19 19 LEU HD21 H 1 0.8945 0.03 . 2 . . . . 154 LEU HD2# . 17138 1 230 . 1 1 19 19 LEU HD22 H 1 0.8945 0.03 . 2 . . . . 154 LEU HD2# . 17138 1 231 . 1 1 19 19 LEU HD23 H 1 0.8945 0.03 . 2 . . . . 154 LEU HD2# . 17138 1 232 . 1 1 19 19 LEU HG H 1 1.8097 0.03 . 1 . . . . 154 LEU HG . 17138 1 233 . 1 1 19 19 LEU C C 13 180.6545 0.2 . 1 . . . . 154 LEU C . 17138 1 234 . 1 1 19 19 LEU CA C 13 58.3167 0.2 . 1 . . . . 154 LEU CA . 17138 1 235 . 1 1 19 19 LEU CB C 13 42.0235 0.2 . 1 . . . . 154 LEU CB . 17138 1 236 . 1 1 19 19 LEU CD1 C 13 25.1428 0.2 . 2 . . . . 154 LEU CD1 . 17138 1 237 . 1 1 19 19 LEU CD2 C 13 23.5679 0.2 . 2 . . . . 154 LEU CD2 . 17138 1 238 . 1 1 19 19 LEU CG C 13 27.0480 0.2 . 1 . . . . 154 LEU CG . 17138 1 239 . 1 1 19 19 LEU N N 15 120.6873 0.2 . 1 . . . . 154 LEU N . 17138 1 240 . 1 1 20 20 GLU H H 1 8.7170 0.03 . 1 . . . . 155 GLU HN . 17138 1 241 . 1 1 20 20 GLU HA H 1 4.5485 0.03 . 1 . . . . 155 GLU HA . 17138 1 242 . 1 1 20 20 GLU HB2 H 1 1.9290 0.03 . 2 . . . . 155 GLU HB1 . 17138 1 243 . 1 1 20 20 GLU HB3 H 1 1.8620 0.03 . 2 . . . . 155 GLU HB2 . 17138 1 244 . 1 1 20 20 GLU HG2 H 1 2.9320 0.03 . 2 . . . . 155 GLU HG1 . 17138 1 245 . 1 1 20 20 GLU HG3 H 1 2.1925 0.03 . 2 . . . . 155 GLU HG2 . 17138 1 246 . 1 1 20 20 GLU C C 13 180.7561 0.2 . 1 . . . . 155 GLU C . 17138 1 247 . 1 1 20 20 GLU CA C 13 57.9447 0.2 . 1 . . . . 155 GLU CA . 17138 1 248 . 1 1 20 20 GLU CB C 13 28.3473 0.2 . 1 . . . . 155 GLU CB . 17138 1 249 . 1 1 20 20 GLU CG C 13 34.5465 0.2 . 1 . . . . 155 GLU CG . 17138 1 250 . 1 1 20 20 GLU N N 15 119.5699 0.2 . 1 . . . . 155 GLU N . 17138 1 251 . 1 1 21 21 GLU H H 1 9.3080 0.03 . 1 . . . . 156 GLU HN . 17138 1 252 . 1 1 21 21 GLU HA H 1 4.0540 0.03 . 1 . . . . 156 GLU HA . 17138 1 253 . 1 1 21 21 GLU HB2 H 1 2.0250 0.03 . 2 . . . . 156 GLU HB1 . 17138 1 254 . 1 1 21 21 GLU HB3 H 1 2.2770 0.03 . 2 . . . . 156 GLU HB2 . 17138 1 255 . 1 1 21 21 GLU HG2 H 1 2.5983 0.03 . 2 . . . . 156 GLU HG1 . 17138 1 256 . 1 1 21 21 GLU HG3 H 1 2.1833 0.03 . 2 . . . . 156 GLU HG2 . 17138 1 257 . 1 1 21 21 GLU C C 13 179.3522 0.2 . 1 . . . . 156 GLU C . 17138 1 258 . 1 1 21 21 GLU CA C 13 60.5463 0.2 . 1 . . . . 156 GLU CA . 17138 1 259 . 1 1 21 21 GLU CB C 13 29.7131 0.2 . 1 . . . . 156 GLU CB . 17138 1 260 . 1 1 21 21 GLU CG C 13 38.1641 0.2 . 1 . . . . 156 GLU CG . 17138 1 261 . 1 1 21 21 GLU N N 15 122.0909 0.2 . 1 . . . . 156 GLU N . 17138 1 262 . 1 1 22 22 ALA H H 1 8.1220 0.03 . 1 . . . . 157 ALA HN . 17138 1 263 . 1 1 22 22 ALA HA H 1 4.2260 0.03 . 1 . . . . 157 ALA HA . 17138 1 264 . 1 1 22 22 ALA HB1 H 1 1.5710 0.03 . 1 . . . . 157 ALA HB# . 17138 1 265 . 1 1 22 22 ALA HB2 H 1 1.5710 0.03 . 1 . . . . 157 ALA HB# . 17138 1 266 . 1 1 22 22 ALA HB3 H 1 1.5710 0.03 . 1 . . . . 157 ALA HB# . 17138 1 267 . 1 1 22 22 ALA C C 13 181.0145 0.2 . 1 . . . . 157 ALA C . 17138 1 268 . 1 1 22 22 ALA CA C 13 55.2490 0.2 . 1 . . . . 157 ALA CA . 17138 1 269 . 1 1 22 22 ALA CB C 13 17.5571 0.2 . 1 . . . . 157 ALA CB . 17138 1 270 . 1 1 22 22 ALA N N 15 122.5053 0.2 . 1 . . . . 157 ALA N . 17138 1 271 . 1 1 23 23 LYS H H 1 7.9600 0.03 . 1 . . . . 158 LYS HN . 17138 1 272 . 1 1 23 23 LYS HA H 1 4.1446 0.03 . 1 . . . . 158 LYS HA . 17138 1 273 . 1 1 23 23 LYS HB2 H 1 1.9699 0.03 . 1 . . . . 158 LYS HB# . 17138 1 274 . 1 1 23 23 LYS HB3 H 1 1.9699 0.03 . 1 . . . . 158 LYS HB# . 17138 1 275 . 1 1 23 23 LYS HD2 H 1 1.7404 0.03 . 1 . . . . 158 LYS HD# . 17138 1 276 . 1 1 23 23 LYS HD3 H 1 1.7404 0.03 . 1 . . . . 158 LYS HD# . 17138 1 277 . 1 1 23 23 LYS HE2 H 1 2.9214 0.03 . 1 . . . . 158 LYS HE# . 17138 1 278 . 1 1 23 23 LYS HE3 H 1 2.9214 0.03 . 1 . . . . 158 LYS HE# . 17138 1 279 . 1 1 23 23 LYS HG2 H 1 1.3512 0.03 . 1 . . . . 158 LYS HG# . 17138 1 280 . 1 1 23 23 LYS HG3 H 1 1.3512 0.03 . 1 . . . . 158 LYS HG# . 17138 1 281 . 1 1 23 23 LYS C C 13 178.3173 0.2 . 1 . . . . 158 LYS C . 17138 1 282 . 1 1 23 23 LYS CA C 13 59.4165 0.2 . 1 . . . . 158 LYS CA . 17138 1 283 . 1 1 23 23 LYS CB C 13 32.3965 0.2 . 1 . . . . 158 LYS CB . 17138 1 284 . 1 1 23 23 LYS CD C 13 29.3865 0.2 . 1 . . . . 158 LYS CD . 17138 1 285 . 1 1 23 23 LYS CE C 13 41.8815 0.2 . 1 . . . . 158 LYS CE . 17138 1 286 . 1 1 23 23 LYS CG C 13 25.3822 0.2 . 1 . . . . 158 LYS CG . 17138 1 287 . 1 1 23 23 LYS N N 15 119.9784 0.2 . 1 . . . . 158 LYS N . 17138 1 288 . 1 1 24 24 LEU H H 1 7.7740 0.03 . 1 . . . . 159 LEU HN . 17138 1 289 . 1 1 24 24 LEU HA H 1 4.0914 0.03 . 1 . . . . 159 LEU HA . 17138 1 290 . 1 1 24 24 LEU HB2 H 1 2.4887 0.03 . 2 . . . . 159 LEU HB1 . 17138 1 291 . 1 1 24 24 LEU HB3 H 1 2.5628 0.03 . 2 . . . . 159 LEU HB2 . 17138 1 292 . 1 1 24 24 LEU HD11 H 1 1.0475 0.03 . 2 . . . . 159 LEU HD1# . 17138 1 293 . 1 1 24 24 LEU HD12 H 1 1.0475 0.03 . 2 . . . . 159 LEU HD1# . 17138 1 294 . 1 1 24 24 LEU HD13 H 1 1.0475 0.03 . 2 . . . . 159 LEU HD1# . 17138 1 295 . 1 1 24 24 LEU HD21 H 1 1.1010 0.03 . 2 . . . . 159 LEU HD2# . 17138 1 296 . 1 1 24 24 LEU HD22 H 1 1.1010 0.03 . 2 . . . . 159 LEU HD2# . 17138 1 297 . 1 1 24 24 LEU HD23 H 1 1.1010 0.03 . 2 . . . . 159 LEU HD2# . 17138 1 298 . 1 1 24 24 LEU HG H 1 1.6670 0.03 . 1 . . . . 159 LEU HG . 17138 1 299 . 1 1 24 24 LEU C C 13 177.3338 0.2 . 1 . . . . 159 LEU C . 17138 1 300 . 1 1 24 24 LEU CA C 13 58.4836 0.2 . 1 . . . . 159 LEU CA . 17138 1 301 . 1 1 24 24 LEU CB C 13 41.7494 0.2 . 1 . . . . 159 LEU CB . 17138 1 302 . 1 1 24 24 LEU CD1 C 13 24.0216 0.2 . 2 . . . . 159 LEU CD1 . 17138 1 303 . 1 1 24 24 LEU CD2 C 13 26.9802 0.2 . 2 . . . . 159 LEU CD2 . 17138 1 304 . 1 1 24 24 LEU CG C 13 27.0634 0.2 . 1 . . . . 159 LEU CG . 17138 1 305 . 1 1 24 24 LEU N N 15 119.6894 0.2 . 1 . . . . 159 LEU N . 17138 1 306 . 1 1 25 25 VAL H H 1 7.9480 0.03 . 1 . . . . 160 VAL HN . 17138 1 307 . 1 1 25 25 VAL HA H 1 3.5545 0.03 . 1 . . . . 160 VAL HA . 17138 1 308 . 1 1 25 25 VAL HB H 1 2.2133 0.03 . 1 . . . . 160 VAL HB . 17138 1 309 . 1 1 25 25 VAL HG11 H 1 0.9900 0.03 . 1 . . . . 160 VAL HG1# . 17138 1 310 . 1 1 25 25 VAL HG12 H 1 0.9900 0.03 . 1 . . . . 160 VAL HG1# . 17138 1 311 . 1 1 25 25 VAL HG13 H 1 0.9900 0.03 . 1 . . . . 160 VAL HG1# . 17138 1 312 . 1 1 25 25 VAL HG21 H 1 1.1487 0.03 . 1 . . . . 160 VAL HG2# . 17138 1 313 . 1 1 25 25 VAL HG22 H 1 1.1487 0.03 . 1 . . . . 160 VAL HG2# . 17138 1 314 . 1 1 25 25 VAL HG23 H 1 1.1487 0.03 . 1 . . . . 160 VAL HG2# . 17138 1 315 . 1 1 25 25 VAL C C 13 178.7739 0.2 . 1 . . . . 160 VAL C . 17138 1 316 . 1 1 25 25 VAL CA C 13 66.9905 0.2 . 1 . . . . 160 VAL CA . 17138 1 317 . 1 1 25 25 VAL CB C 13 31.9299 0.2 . 1 . . . . 160 VAL CB . 17138 1 318 . 1 1 25 25 VAL CG1 C 13 21.1721 0.2 . 2 . . . . 160 VAL CG1 . 17138 1 319 . 1 1 25 25 VAL CG2 C 13 23.0643 0.2 . 2 . . . . 160 VAL CG2 . 17138 1 320 . 1 1 25 25 VAL N N 15 118.3705 0.2 . 1 . . . . 160 VAL N . 17138 1 321 . 1 1 26 26 LEU H H 1 7.7810 0.03 . 1 . . . . 161 LEU HN . 17138 1 322 . 1 1 26 26 LEU HA H 1 4.1310 0.03 . 1 . . . . 161 LEU HA . 17138 1 323 . 1 1 26 26 LEU HB2 H 1 1.9510 0.03 . 2 . . . . 161 LEU HB1 . 17138 1 324 . 1 1 26 26 LEU HB3 H 1 1.7485 0.03 . 2 . . . . 161 LEU HB2 . 17138 1 325 . 1 1 26 26 LEU HD11 H 1 0.9390 0.03 . 1 . . . . 161 LEU HD1# . 17138 1 326 . 1 1 26 26 LEU HD12 H 1 0.9390 0.03 . 1 . . . . 161 LEU HD1# . 17138 1 327 . 1 1 26 26 LEU HD13 H 1 0.9390 0.03 . 1 . . . . 161 LEU HD1# . 17138 1 328 . 1 1 26 26 LEU HD21 H 1 0.9390 0.03 . 1 . . . . 161 LEU HD2# . 17138 1 329 . 1 1 26 26 LEU HD22 H 1 0.9390 0.03 . 1 . . . . 161 LEU HD2# . 17138 1 330 . 1 1 26 26 LEU HD23 H 1 0.9390 0.03 . 1 . . . . 161 LEU HD2# . 17138 1 331 . 1 1 26 26 LEU HG H 1 1.6480 0.03 . 1 . . . . 161 LEU HG . 17138 1 332 . 1 1 26 26 LEU C C 13 178.9912 0.2 . 1 . . . . 161 LEU C . 17138 1 333 . 1 1 26 26 LEU CA C 13 58.4513 0.2 . 1 . . . . 161 LEU CA . 17138 1 334 . 1 1 26 26 LEU CB C 13 41.8302 0.2 . 1 . . . . 161 LEU CB . 17138 1 335 . 1 1 26 26 LEU CD1 C 13 24.7332 0.2 . 2 . . . . 161 LEU CD1 . 17138 1 336 . 1 1 26 26 LEU CD2 C 13 24.2456 0.2 . 2 . . . . 161 LEU CD2 . 17138 1 337 . 1 1 26 26 LEU CG C 13 27.0557 0.2 . 1 . . . . 161 LEU CG . 17138 1 338 . 1 1 26 26 LEU N N 15 120.4810 0.2 . 1 . . . . 161 LEU N . 17138 1 339 . 1 1 27 27 LEU H H 1 8.4270 0.03 . 1 . . . . 162 LEU HN . 17138 1 340 . 1 1 27 27 LEU HA H 1 4.0570 0.03 . 1 . . . . 162 LEU HA . 17138 1 341 . 1 1 27 27 LEU HB2 H 1 1.9930 0.03 . 2 . . . . 162 LEU HB1 . 17138 1 342 . 1 1 27 27 LEU HB3 H 1 1.4303 0.03 . 2 . . . . 162 LEU HB2 . 17138 1 343 . 1 1 27 27 LEU HD11 H 1 0.9395 0.03 . 2 . . . . 162 LEU HD1# . 17138 1 344 . 1 1 27 27 LEU HD12 H 1 0.9395 0.03 . 2 . . . . 162 LEU HD1# . 17138 1 345 . 1 1 27 27 LEU HD13 H 1 0.9395 0.03 . 2 . . . . 162 LEU HD1# . 17138 1 346 . 1 1 27 27 LEU HD21 H 1 0.8525 0.03 . 2 . . . . 162 LEU HD2# . 17138 1 347 . 1 1 27 27 LEU HD22 H 1 0.8525 0.03 . 2 . . . . 162 LEU HD2# . 17138 1 348 . 1 1 27 27 LEU HD23 H 1 0.8525 0.03 . 2 . . . . 162 LEU HD2# . 17138 1 349 . 1 1 27 27 LEU HG H 1 2.0427 0.03 . 1 . . . . 162 LEU HG . 17138 1 350 . 1 1 27 27 LEU C C 13 179.4185 0.2 . 1 . . . . 162 LEU C . 17138 1 351 . 1 1 27 27 LEU CA C 13 58.4700 0.2 . 1 . . . . 162 LEU CA . 17138 1 352 . 1 1 27 27 LEU CB C 13 42.6716 0.2 . 1 . . . . 162 LEU CB . 17138 1 353 . 1 1 27 27 LEU CD1 C 13 22.8798 0.2 . 2 . . . . 162 LEU CD1 . 17138 1 354 . 1 1 27 27 LEU CD2 C 13 26.4324 0.2 . 2 . . . . 162 LEU CD2 . 17138 1 355 . 1 1 27 27 LEU CG C 13 26.6063 0.2 . 1 . . . . 162 LEU CG . 17138 1 356 . 1 1 27 27 LEU N N 15 118.6784 0.2 . 1 . . . . 162 LEU N . 17138 1 357 . 1 1 28 28 LYS H H 1 8.2700 0.03 . 1 . . . . 163 LYS HN . 17138 1 358 . 1 1 28 28 LYS HA H 1 3.9240 0.03 . 1 . . . . 163 LYS HA . 17138 1 359 . 1 1 28 28 LYS HB2 H 1 1.9780 0.03 . 1 . . . . 163 LYS HB# . 17138 1 360 . 1 1 28 28 LYS HB3 H 1 1.9780 0.03 . 1 . . . . 163 LYS HB# . 17138 1 361 . 1 1 28 28 LYS HD2 H 1 1.6960 0.03 . 1 . . . . 163 LYS HD# . 17138 1 362 . 1 1 28 28 LYS HD3 H 1 1.6960 0.03 . 1 . . . . 163 LYS HD# . 17138 1 363 . 1 1 28 28 LYS HE2 H 1 3.0010 0.03 . 1 . . . . 163 LYS HE# . 17138 1 364 . 1 1 28 28 LYS HE3 H 1 3.0010 0.03 . 1 . . . . 163 LYS HE# . 17138 1 365 . 1 1 28 28 LYS HG2 H 1 1.3910 0.03 . 1 . . . . 163 LYS HG# . 17138 1 366 . 1 1 28 28 LYS HG3 H 1 1.3910 0.03 . 1 . . . . 163 LYS HG# . 17138 1 367 . 1 1 28 28 LYS C C 13 179.7571 0.2 . 1 . . . . 163 LYS C . 17138 1 368 . 1 1 28 28 LYS CA C 13 60.8155 0.2 . 1 . . . . 163 LYS CA . 17138 1 369 . 1 1 28 28 LYS CB C 13 32.6108 0.2 . 1 . . . . 163 LYS CB . 17138 1 370 . 1 1 28 28 LYS CD C 13 29.7540 0.2 . 1 . . . . 163 LYS CD . 17138 1 371 . 1 1 28 28 LYS CE C 13 42.0750 0.2 . 1 . . . . 163 LYS CE . 17138 1 372 . 1 1 28 28 LYS CG C 13 27.1003 0.2 . 1 . . . . 163 LYS CG . 17138 1 373 . 1 1 28 28 LYS N N 15 117.2134 0.2 . 1 . . . . 163 LYS N . 17138 1 374 . 1 1 29 29 LYS H H 1 8.2310 0.03 . 1 . . . . 164 LYS HN . 17138 1 375 . 1 1 29 29 LYS HA H 1 4.1230 0.03 . 1 . . . . 164 LYS HA . 17138 1 376 . 1 1 29 29 LYS HB2 H 1 2.0220 0.03 . 1 . . . . 164 LYS HB# . 17138 1 377 . 1 1 29 29 LYS HB3 H 1 2.0220 0.03 . 1 . . . . 164 LYS HB# . 17138 1 378 . 1 1 29 29 LYS HD2 H 1 1.6870 0.03 . 1 . . . . 164 LYS HD# . 17138 1 379 . 1 1 29 29 LYS HD3 H 1 1.6870 0.03 . 1 . . . . 164 LYS HD# . 17138 1 380 . 1 1 29 29 LYS HE2 H 1 2.9610 0.03 . 1 . . . . 164 LYS HE# . 17138 1 381 . 1 1 29 29 LYS HE3 H 1 2.9610 0.03 . 1 . . . . 164 LYS HE# . 17138 1 382 . 1 1 29 29 LYS HG2 H 1 1.4600 0.03 . 1 . . . . 164 LYS HG# . 17138 1 383 . 1 1 29 29 LYS HG3 H 1 1.4600 0.03 . 1 . . . . 164 LYS HG# . 17138 1 384 . 1 1 29 29 LYS C C 13 179.8596 0.2 . 1 . . . . 164 LYS C . 17138 1 385 . 1 1 29 29 LYS CA C 13 59.5594 0.2 . 1 . . . . 164 LYS CA . 17138 1 386 . 1 1 29 29 LYS CB C 13 32.5548 0.2 . 1 . . . . 164 LYS CB . 17138 1 387 . 1 1 29 29 LYS CD C 13 29.4920 0.2 . 1 . . . . 164 LYS CD . 17138 1 388 . 1 1 29 29 LYS CE C 13 42.0600 0.2 . 1 . . . . 164 LYS CE . 17138 1 389 . 1 1 29 29 LYS CG C 13 25.2569 0.2 . 1 . . . . 164 LYS CG . 17138 1 390 . 1 1 29 29 LYS N N 15 121.4868 0.2 . 1 . . . . 164 LYS N . 17138 1 391 . 1 1 30 30 LEU H H 1 8.5970 0.03 . 1 . . . . 165 LEU HN . 17138 1 392 . 1 1 30 30 LEU HA H 1 4.1590 0.03 . 1 . . . . 165 LEU HA . 17138 1 393 . 1 1 30 30 LEU HB2 H 1 1.9620 0.03 . 2 . . . . 165 LEU HB1 . 17138 1 394 . 1 1 30 30 LEU HB3 H 1 1.5845 0.03 . 2 . . . . 165 LEU HB2 . 17138 1 395 . 1 1 30 30 LEU HD11 H 1 0.8880 0.03 . 2 . . . . 165 LEU HD1# . 17138 1 396 . 1 1 30 30 LEU HD12 H 1 0.8880 0.03 . 2 . . . . 165 LEU HD1# . 17138 1 397 . 1 1 30 30 LEU HD13 H 1 0.8880 0.03 . 2 . . . . 165 LEU HD1# . 17138 1 398 . 1 1 30 30 LEU HD21 H 1 0.8950 0.03 . 2 . . . . 165 LEU HD2# . 17138 1 399 . 1 1 30 30 LEU HD22 H 1 0.8950 0.03 . 2 . . . . 165 LEU HD2# . 17138 1 400 . 1 1 30 30 LEU HD23 H 1 0.8950 0.03 . 2 . . . . 165 LEU HD2# . 17138 1 401 . 1 1 30 30 LEU HG H 1 1.8140 0.03 . 1 . . . . 165 LEU HG . 17138 1 402 . 1 1 30 30 LEU C C 13 179.9298 0.2 . 1 . . . . 165 LEU C . 17138 1 403 . 1 1 30 30 LEU CA C 13 57.8888 0.2 . 1 . . . . 165 LEU CA . 17138 1 404 . 1 1 30 30 LEU CB C 13 41.9866 0.2 . 1 . . . . 165 LEU CB . 17138 1 405 . 1 1 30 30 LEU CD1 C 13 25.1432 0.2 . 2 . . . . 165 LEU CD1 . 17138 1 406 . 1 1 30 30 LEU CD2 C 13 23.2445 0.2 . 2 . . . . 165 LEU CD2 . 17138 1 407 . 1 1 30 30 LEU CG C 13 26.8919 0.2 . 1 . . . . 165 LEU CG . 17138 1 408 . 1 1 30 30 LEU N N 15 122.0246 0.2 . 1 . . . . 165 LEU N . 17138 1 409 . 1 1 31 31 ARG H H 1 8.4410 0.03 . 1 . . . . 166 ARG HN . 17138 1 410 . 1 1 31 31 ARG HA H 1 4.0547 0.03 . 1 . . . . 166 ARG HA . 17138 1 411 . 1 1 31 31 ARG HB2 H 1 1.7281 0.03 . 1 . . . . 166 ARG HB# . 17138 1 412 . 1 1 31 31 ARG HB3 H 1 1.7281 0.03 . 1 . . . . 166 ARG HB# . 17138 1 413 . 1 1 31 31 ARG HD2 H 1 3.2260 0.03 . 2 . . . . 166 ARG HD1 . 17138 1 414 . 1 1 31 31 ARG HD3 H 1 2.8790 0.03 . 2 . . . . 166 ARG HD2 . 17138 1 415 . 1 1 31 31 ARG HG2 H 1 1.6550 0.03 . 1 . . . . 166 ARG HG# . 17138 1 416 . 1 1 31 31 ARG HG3 H 1 1.6550 0.03 . 1 . . . . 166 ARG HG# . 17138 1 417 . 1 1 31 31 ARG C C 13 177.9572 0.2 . 1 . . . . 166 ARG C . 17138 1 418 . 1 1 31 31 ARG CA C 13 58.9007 0.2 . 1 . . . . 166 ARG CA . 17138 1 419 . 1 1 31 31 ARG CB C 13 29.8005 0.2 . 1 . . . . 166 ARG CB . 17138 1 420 . 1 1 31 31 ARG CD C 13 43.4195 0.2 . 1 . . . . 166 ARG CD . 17138 1 421 . 1 1 31 31 ARG CG C 13 26.6101 0.2 . 1 . . . . 166 ARG CG . 17138 1 422 . 1 1 31 31 ARG N N 15 120.2436 0.2 . 1 . . . . 166 ARG N . 17138 1 423 . 1 1 32 32 GLN H H 1 7.9540 0.03 . 1 . . . . 167 GLN HN . 17138 1 424 . 1 1 32 32 GLN HA H 1 4.0990 0.03 . 1 . . . . 167 GLN HA . 17138 1 425 . 1 1 32 32 GLN HB2 H 1 2.2260 0.03 . 1 . . . . 167 GLN HB# . 17138 1 426 . 1 1 32 32 GLN HB3 H 1 2.2260 0.03 . 1 . . . . 167 GLN HB# . 17138 1 427 . 1 1 32 32 GLN HG2 H 1 2.4970 0.03 . 1 . . . . 167 GLN HG# . 17138 1 428 . 1 1 32 32 GLN HG3 H 1 2.4970 0.03 . 1 . . . . 167 GLN HG# . 17138 1 429 . 1 1 32 32 GLN C C 13 178.1103 0.2 . 1 . . . . 167 GLN C . 17138 1 430 . 1 1 32 32 GLN CA C 13 58.5521 0.2 . 1 . . . . 167 GLN CA . 17138 1 431 . 1 1 32 32 GLN CB C 13 28.3773 0.2 . 1 . . . . 167 GLN CB . 17138 1 432 . 1 1 32 32 GLN CG C 13 33.7516 0.2 . 1 . . . . 167 GLN CG . 17138 1 433 . 1 1 32 32 GLN N N 15 117.1887 0.2 . 1 . . . . 167 GLN N . 17138 1 434 . 1 1 33 33 SER H H 1 8.0400 0.03 . 1 . . . . 168 SER HN . 17138 1 435 . 1 1 33 33 SER HA H 1 4.3740 0.03 . 1 . . . . 168 SER HA . 17138 1 436 . 1 1 33 33 SER HB2 H 1 4.0490 0.03 . 1 . . . . 168 SER HB# . 17138 1 437 . 1 1 33 33 SER HB3 H 1 4.0490 0.03 . 1 . . . . 168 SER HB# . 17138 1 438 . 1 1 33 33 SER C C 13 175.8820 0.2 . 1 . . . . 168 SER C . 17138 1 439 . 1 1 33 33 SER CA C 13 60.8939 0.2 . 1 . . . . 168 SER CA . 17138 1 440 . 1 1 33 33 SER CB C 13 63.3573 0.2 . 1 . . . . 168 SER CB . 17138 1 441 . 1 1 33 33 SER N N 15 114.2068 0.2 . 1 . . . . 168 SER N . 17138 1 442 . 1 1 34 34 GLN H H 1 7.9710 0.03 . 1 . . . . 169 GLN HN . 17138 1 443 . 1 1 34 34 GLN HA H 1 4.2351 0.03 . 1 . . . . 169 GLN HA . 17138 1 444 . 1 1 34 34 GLN HB2 H 1 2.1771 0.03 . 1 . . . . 169 GLN HB# . 17138 1 445 . 1 1 34 34 GLN HB3 H 1 2.1771 0.03 . 1 . . . . 169 GLN HB# . 17138 1 446 . 1 1 34 34 GLN HE21 H 1 7.1580 0.03 . 2 . . . . 169 GLN HE21 . 17138 1 447 . 1 1 34 34 GLN HE22 H 1 7.5290 0.03 . 2 . . . . 169 GLN HE22 . 17138 1 448 . 1 1 34 34 GLN HG2 H 1 2.6280 0.03 . 2 . . . . 169 GLN HG1 . 17138 1 449 . 1 1 34 34 GLN HG3 H 1 2.4710 0.03 . 2 . . . . 169 GLN HG2 . 17138 1 450 . 1 1 34 34 GLN C C 13 177.5755 0.2 . 1 . . . . 169 GLN C . 17138 1 451 . 1 1 34 34 GLN CA C 13 57.6159 0.2 . 1 . . . . 169 GLN CA . 17138 1 452 . 1 1 34 34 GLN CB C 13 28.4603 0.2 . 1 . . . . 169 GLN CB . 17138 1 453 . 1 1 34 34 GLN CG C 13 33.9466 0.2 . 1 . . . . 169 GLN CG . 17138 1 454 . 1 1 34 34 GLN N N 15 121.3847 0.2 . 1 . . . . 169 GLN N . 17138 1 455 . 1 1 34 34 GLN NE2 N 15 110.4118 0.2 . 1 . . . . 169 GLN NE2 . 17138 1 456 . 1 1 35 35 ILE H H 1 7.9750 0.03 . 1 . . . . 170 ILE HN . 17138 1 457 . 1 1 35 35 ILE HA H 1 4.0330 0.03 . 1 . . . . 170 ILE HA . 17138 1 458 . 1 1 35 35 ILE HB H 1 1.9575 0.03 . 1 . . . . 170 ILE HB . 17138 1 459 . 1 1 35 35 ILE HD11 H 1 0.8775 0.03 . 1 . . . . 170 ILE HD1# . 17138 1 460 . 1 1 35 35 ILE HD12 H 1 0.8775 0.03 . 1 . . . . 170 ILE HD1# . 17138 1 461 . 1 1 35 35 ILE HD13 H 1 0.8775 0.03 . 1 . . . . 170 ILE HD1# . 17138 1 462 . 1 1 35 35 ILE HG12 H 1 1.2620 0.03 . 2 . . . . 170 ILE HG11 . 17138 1 463 . 1 1 35 35 ILE HG13 H 1 1.6360 0.03 . 2 . . . . 170 ILE HG12 . 17138 1 464 . 1 1 35 35 ILE HG21 H 1 0.9540 0.03 . 1 . . . . 170 ILE HG2# . 17138 1 465 . 1 1 35 35 ILE HG22 H 1 0.9540 0.03 . 1 . . . . 170 ILE HG2# . 17138 1 466 . 1 1 35 35 ILE HG23 H 1 0.9540 0.03 . 1 . . . . 170 ILE HG2# . 17138 1 467 . 1 1 35 35 ILE C C 13 177.4750 0.2 . 1 . . . . 170 ILE C . 17138 1 468 . 1 1 35 35 ILE CA C 13 63.1792 0.2 . 1 . . . . 170 ILE CA . 17138 1 469 . 1 1 35 35 ILE CB C 13 38.5843 0.2 . 1 . . . . 170 ILE CB . 17138 1 470 . 1 1 35 35 ILE CD1 C 13 13.4872 0.2 . 1 . . . . 170 ILE CD1 . 17138 1 471 . 1 1 35 35 ILE CG1 C 13 27.9947 0.2 . 1 . . . . 170 ILE CG1 . 17138 1 472 . 1 1 35 35 ILE CG2 C 13 17.2640 0.2 . 1 . . . . 170 ILE CG2 . 17138 1 473 . 1 1 35 35 ILE N N 15 119.6424 0.2 . 1 . . . . 170 ILE N . 17138 1 474 . 1 1 36 36 GLN H H 1 8.1100 0.03 . 1 . . . . 171 GLN HN . 17138 1 475 . 1 1 36 36 GLN HA H 1 4.2610 0.03 . 1 . . . . 171 GLN HA . 17138 1 476 . 1 1 36 36 GLN HB2 H 1 2.1455 0.03 . 1 . . . . 171 GLN HB# . 17138 1 477 . 1 1 36 36 GLN HB3 H 1 2.1455 0.03 . 1 . . . . 171 GLN HB# . 17138 1 478 . 1 1 36 36 GLN HG2 H 1 2.4585 0.03 . 1 . . . . 171 GLN HG# . 17138 1 479 . 1 1 36 36 GLN HG3 H 1 2.4585 0.03 . 1 . . . . 171 GLN HG# . 17138 1 480 . 1 1 36 36 GLN C C 13 176.7882 0.2 . 1 . . . . 171 GLN C . 17138 1 481 . 1 1 36 36 GLN CA C 13 57.0303 0.2 . 1 . . . . 171 GLN CA . 17138 1 482 . 1 1 36 36 GLN CB C 13 28.9908 0.2 . 1 . . . . 171 GLN CB . 17138 1 483 . 1 1 36 36 GLN CG C 13 33.9653 0.2 . 1 . . . . 171 GLN CG . 17138 1 484 . 1 1 36 36 GLN N N 15 121.6769 0.2 . 1 . . . . 171 GLN N . 17138 1 485 . 1 1 37 37 LYS H H 1 8.1380 0.03 . 1 . . . . 172 LYS HN . 17138 1 486 . 1 1 37 37 LYS HA H 1 4.2470 0.03 . 1 . . . . 172 LYS HA . 17138 1 487 . 1 1 37 37 LYS HB2 H 1 1.8860 0.03 . 1 . . . . 172 LYS HB# . 17138 1 488 . 1 1 37 37 LYS HB3 H 1 1.8860 0.03 . 1 . . . . 172 LYS HB# . 17138 1 489 . 1 1 37 37 LYS HD2 H 1 1.7030 0.03 . 1 . . . . 172 LYS HD# . 17138 1 490 . 1 1 37 37 LYS HD3 H 1 1.7030 0.03 . 1 . . . . 172 LYS HD# . 17138 1 491 . 1 1 37 37 LYS HE2 H 1 3.0070 0.03 . 1 . . . . 172 LYS HE# . 17138 1 492 . 1 1 37 37 LYS HE3 H 1 3.0070 0.03 . 1 . . . . 172 LYS HE# . 17138 1 493 . 1 1 37 37 LYS HG2 H 1 1.4900 0.03 . 1 . . . . 172 LYS HG# . 17138 1 494 . 1 1 37 37 LYS HG3 H 1 1.4900 0.03 . 1 . . . . 172 LYS HG# . 17138 1 495 . 1 1 37 37 LYS C C 13 177.3241 0.2 . 1 . . . . 172 LYS C . 17138 1 496 . 1 1 37 37 LYS CA C 13 57.2740 0.2 . 1 . . . . 172 LYS CA . 17138 1 497 . 1 1 37 37 LYS CB C 13 32.8565 0.2 . 1 . . . . 172 LYS CB . 17138 1 498 . 1 1 37 37 LYS CD C 13 28.9170 0.2 . 1 . . . . 172 LYS CD . 17138 1 499 . 1 1 37 37 LYS CE C 13 42.1380 0.2 . 1 . . . . 172 LYS CE . 17138 1 500 . 1 1 37 37 LYS CG C 13 24.7927 0.2 . 1 . . . . 172 LYS CG . 17138 1 501 . 1 1 37 37 LYS N N 15 121.4369 0.2 . 1 . . . . 172 LYS N . 17138 1 502 . 1 1 38 38 GLU H H 1 8.2640 0.03 . 1 . . . . 173 GLU HN . 17138 1 503 . 1 1 38 38 GLU HA H 1 4.2490 0.03 . 1 . . . . 173 GLU HA . 17138 1 504 . 1 1 38 38 GLU HB2 H 1 2.0290 0.03 . 2 . . . . 173 GLU HB1 . 17138 1 505 . 1 1 38 38 GLU HB3 H 1 2.1010 0.03 . 2 . . . . 173 GLU HB2 . 17138 1 506 . 1 1 38 38 GLU HG2 H 1 2.3670 0.03 . 2 . . . . 173 GLU HG1 . 17138 1 507 . 1 1 38 38 GLU HG3 H 1 2.3130 0.03 . 2 . . . . 173 GLU HG2 . 17138 1 508 . 1 1 38 38 GLU C C 13 176.8851 0.2 . 1 . . . . 173 GLU C . 17138 1 509 . 1 1 38 38 GLU CA C 13 57.1196 0.2 . 1 . . . . 173 GLU CA . 17138 1 510 . 1 1 38 38 GLU CB C 13 30.1020 0.2 . 1 . . . . 173 GLU CB . 17138 1 511 . 1 1 38 38 GLU CG C 13 36.3934 0.2 . 1 . . . . 173 GLU CG . 17138 1 512 . 1 1 38 38 GLU N N 15 120.7967 0.2 . 1 . . . . 173 GLU N . 17138 1 513 . 1 1 39 39 ALA H H 1 8.2470 0.03 . 1 . . . . 174 ALA HN . 17138 1 514 . 1 1 39 39 ALA HA H 1 4.3590 0.03 . 1 . . . . 174 ALA HA . 17138 1 515 . 1 1 39 39 ALA HB1 H 1 1.4660 0.03 . 1 . . . . 174 ALA HB# . 17138 1 516 . 1 1 39 39 ALA HB2 H 1 1.4660 0.03 . 1 . . . . 174 ALA HB# . 17138 1 517 . 1 1 39 39 ALA HB3 H 1 1.4660 0.03 . 1 . . . . 174 ALA HB# . 17138 1 518 . 1 1 39 39 ALA C C 13 178.2390 0.2 . 1 . . . . 174 ALA C . 17138 1 519 . 1 1 39 39 ALA CA C 13 53.0703 0.2 . 1 . . . . 174 ALA CA . 17138 1 520 . 1 1 39 39 ALA CB C 13 19.0714 0.2 . 1 . . . . 174 ALA CB . 17138 1 521 . 1 1 39 39 ALA N N 15 124.1409 0.2 . 1 . . . . 174 ALA N . 17138 1 522 . 1 1 40 40 THR H H 1 7.9780 0.03 . 1 . . . . 175 THR HN . 17138 1 523 . 1 1 40 40 THR HA H 1 4.3260 0.03 . 1 . . . . 175 THR HA . 17138 1 524 . 1 1 40 40 THR HB H 1 4.2740 0.03 . 1 . . . . 175 THR HB . 17138 1 525 . 1 1 40 40 THR HG21 H 1 1.2500 0.03 . 1 . . . . 175 THR HG2# . 17138 1 526 . 1 1 40 40 THR HG22 H 1 1.2500 0.03 . 1 . . . . 175 THR HG2# . 17138 1 527 . 1 1 40 40 THR HG23 H 1 1.2500 0.03 . 1 . . . . 175 THR HG2# . 17138 1 528 . 1 1 40 40 THR C C 13 174.3146 0.2 . 1 . . . . 175 THR C . 17138 1 529 . 1 1 40 40 THR CA C 13 61.8928 0.2 . 1 . . . . 175 THR CA . 17138 1 530 . 1 1 40 40 THR CB C 13 69.8988 0.2 . 1 . . . . 175 THR CB . 17138 1 531 . 1 1 40 40 THR CG2 C 13 21.6517 0.2 . 1 . . . . 175 THR CG2 . 17138 1 532 . 1 1 40 40 THR N N 15 112.2264 0.2 . 1 . . . . 175 THR N . 17138 1 533 . 1 1 41 41 ALA H H 1 8.1390 0.03 . 1 . . . . 176 ALA HN . 17138 1 534 . 1 1 41 41 ALA HA H 1 4.3530 0.03 . 1 . . . . 176 ALA HA . 17138 1 535 . 1 1 41 41 ALA HB1 H 1 1.4280 0.03 . 1 . . . . 176 ALA HB# . 17138 1 536 . 1 1 41 41 ALA HB2 H 1 1.4280 0.03 . 1 . . . . 176 ALA HB# . 17138 1 537 . 1 1 41 41 ALA HB3 H 1 1.4280 0.03 . 1 . . . . 176 ALA HB# . 17138 1 538 . 1 1 41 41 ALA C C 13 177.4655 0.2 . 1 . . . . 176 ALA C . 17138 1 539 . 1 1 41 41 ALA CA C 13 52.6585 0.2 . 1 . . . . 176 ALA CA . 17138 1 540 . 1 1 41 41 ALA CB C 13 19.2921 0.2 . 1 . . . . 176 ALA CB . 17138 1 541 . 1 1 41 41 ALA N N 15 126.2301 0.2 . 1 . . . . 176 ALA N . 17138 1 542 . 1 1 42 42 GLN H H 1 8.3130 0.03 . 1 . . . . 177 GLN HN . 17138 1 543 . 1 1 42 42 GLN HA H 1 4.3180 0.03 . 1 . . . . 177 GLN HA . 17138 1 544 . 1 1 42 42 GLN HB2 H 1 2.1400 0.03 . 2 . . . . 177 GLN HB1 . 17138 1 545 . 1 1 42 42 GLN HB3 H 1 2.0030 0.03 . 2 . . . . 177 GLN HB2 . 17138 1 546 . 1 1 42 42 GLN HG2 H 1 2.4030 0.03 . 1 . . . . 177 GLN HG# . 17138 1 547 . 1 1 42 42 GLN HG3 H 1 2.4030 0.03 . 1 . . . . 177 GLN HG# . 17138 1 548 . 1 1 42 42 GLN C C 13 175.0587 0.2 . 1 . . . . 177 GLN C . 17138 1 549 . 1 1 42 42 GLN CA C 13 55.9036 0.2 . 1 . . . . 177 GLN CA . 17138 1 550 . 1 1 42 42 GLN CB C 13 29.5368 0.2 . 1 . . . . 177 GLN CB . 17138 1 551 . 1 1 42 42 GLN CG C 13 33.9335 0.2 . 1 . . . . 177 GLN CG . 17138 1 552 . 1 1 42 42 GLN N N 15 120.3673 0.2 . 1 . . . . 177 GLN N . 17138 1 553 . 1 1 43 43 LYS H H 1 8.0080 0.03 . 1 . . . . 178 LYS HN . 17138 1 554 . 1 1 43 43 LYS HA H 1 4.1765 0.03 . 1 . . . . 178 LYS HA . 17138 1 555 . 1 1 43 43 LYS HB2 H 1 1.8342 0.03 . 2 . . . . 178 LYS HB1 . 17138 1 556 . 1 1 43 43 LYS HB3 H 1 1.7278 0.03 . 2 . . . . 178 LYS HB2 . 17138 1 557 . 1 1 43 43 LYS HD2 H 1 1.6925 0.03 . 1 . . . . 178 LYS HD# . 17138 1 558 . 1 1 43 43 LYS HD3 H 1 1.6925 0.03 . 1 . . . . 178 LYS HD# . 17138 1 559 . 1 1 43 43 LYS HE2 H 1 3.0100 0.03 . 1 . . . . 178 LYS HE# . 17138 1 560 . 1 1 43 43 LYS HE3 H 1 3.0100 0.03 . 1 . . . . 178 LYS HE# . 17138 1 561 . 1 1 43 43 LYS HG2 H 1 1.4082 0.03 . 1 . . . . 178 LYS HG# . 17138 1 562 . 1 1 43 43 LYS HG3 H 1 1.4082 0.03 . 1 . . . . 178 LYS HG# . 17138 1 563 . 1 1 43 43 LYS CA C 13 57.6784 0.2 . 1 . . . . 178 LYS CA . 17138 1 564 . 1 1 43 43 LYS CB C 13 33.6746 0.2 . 1 . . . . 178 LYS CB . 17138 1 565 . 1 1 43 43 LYS CD C 13 29.1647 0.2 . 1 . . . . 178 LYS CD . 17138 1 566 . 1 1 43 43 LYS CE C 13 42.2344 0.2 . 1 . . . . 178 LYS CE . 17138 1 567 . 1 1 43 43 LYS CG C 13 24.7364 0.2 . 1 . . . . 178 LYS CG . 17138 1 568 . 1 1 43 43 LYS N N 15 128.3508 0.2 . 1 . . . . 178 LYS N . 17138 1 569 . 2 2 3 3 LYS HA H 1 4.3533 0.03 . 1 . . . . 211 LYS HA . 17138 1 570 . 2 2 3 3 LYS HB2 H 1 1.8334 0.03 . 2 . . . . 211 LYS HB1 . 17138 1 571 . 2 2 3 3 LYS HB3 H 1 1.7420 0.03 . 2 . . . . 211 LYS HB2 . 17138 1 572 . 2 2 3 3 LYS HD2 H 1 1.7087 0.03 . 1 . . . . 211 LYS HD# . 17138 1 573 . 2 2 3 3 LYS HD3 H 1 1.7087 0.03 . 1 . . . . 211 LYS HD# . 17138 1 574 . 2 2 3 3 LYS HE2 H 1 3.0290 0.03 . 1 . . . . 211 LYS HE# . 17138 1 575 . 2 2 3 3 LYS HE3 H 1 3.0290 0.03 . 1 . . . . 211 LYS HE# . 17138 1 576 . 2 2 3 3 LYS HG2 H 1 1.4530 0.03 . 1 . . . . 211 LYS HG# . 17138 1 577 . 2 2 3 3 LYS HG3 H 1 1.4530 0.03 . 1 . . . . 211 LYS HG# . 17138 1 578 . 2 2 3 3 LYS C C 13 176.0660 0.2 . 1 . . . . 211 LYS C . 17138 1 579 . 2 2 3 3 LYS CA C 13 56.2030 0.2 . 1 . . . . 211 LYS CA . 17138 1 580 . 2 2 3 3 LYS CB C 13 33.1272 0.2 . 1 . . . . 211 LYS CB . 17138 1 581 . 2 2 3 3 LYS CD C 13 29.1298 0.2 . 1 . . . . 211 LYS CD . 17138 1 582 . 2 2 3 3 LYS CE C 13 42.1875 0.2 . 1 . . . . 211 LYS CE . 17138 1 583 . 2 2 3 3 LYS CG C 13 24.7455 0.2 . 1 . . . . 211 LYS CG . 17138 1 584 . 2 2 4 4 ALA H H 1 8.2810 0.03 . 1 . . . . 212 ALA HN . 17138 1 585 . 2 2 4 4 ALA HA H 1 4.2790 0.03 . 1 . . . . 212 ALA HA . 17138 1 586 . 2 2 4 4 ALA HB1 H 1 1.3160 0.03 . 1 . . . . 212 ALA HB# . 17138 1 587 . 2 2 4 4 ALA HB2 H 1 1.3160 0.03 . 1 . . . . 212 ALA HB# . 17138 1 588 . 2 2 4 4 ALA HB3 H 1 1.3160 0.03 . 1 . . . . 212 ALA HB# . 17138 1 589 . 2 2 4 4 ALA C C 13 176.8844 0.2 . 1 . . . . 212 ALA C . 17138 1 590 . 2 2 4 4 ALA CA C 13 52.4066 0.2 . 1 . . . . 212 ALA CA . 17138 1 591 . 2 2 4 4 ALA CB C 13 19.3844 0.2 . 1 . . . . 212 ALA CB . 17138 1 592 . 2 2 4 4 ALA N N 15 125.4726 0.2 . 1 . . . . 212 ALA N . 17138 1 593 . 2 2 5 5 PHE H H 1 8.0820 0.03 . 1 . . . . 213 PHE HN . 17138 1 594 . 2 2 5 5 PHE HA H 1 4.6830 0.03 . 1 . . . . 213 PHE HA . 17138 1 595 . 2 2 5 5 PHE HB2 H 1 3.1100 0.03 . 2 . . . . 213 PHE HB1 . 17138 1 596 . 2 2 5 5 PHE HB3 H 1 3.0495 0.03 . 2 . . . . 213 PHE HB2 . 17138 1 597 . 2 2 5 5 PHE HD1 H 1 7.1860 0.03 . 1 . . . . 213 PHE HD# . 17138 1 598 . 2 2 5 5 PHE HD2 H 1 7.1860 0.03 . 1 . . . . 213 PHE HD# . 17138 1 599 . 2 2 5 5 PHE HE1 H 1 7.2750 0.03 . 1 . . . . 213 PHE HE# . 17138 1 600 . 2 2 5 5 PHE HE2 H 1 7.2750 0.03 . 1 . . . . 213 PHE HE# . 17138 1 601 . 2 2 5 5 PHE HZ H 1 7.2120 0.03 . 1 . . . . 213 PHE HZ . 17138 1 602 . 2 2 5 5 PHE C C 13 174.6375 0.2 . 1 . . . . 213 PHE C . 17138 1 603 . 2 2 5 5 PHE CA C 13 56.9312 0.2 . 1 . . . . 213 PHE CA . 17138 1 604 . 2 2 5 5 PHE CB C 13 39.5693 0.2 . 1 . . . . 213 PHE CB . 17138 1 605 . 2 2 5 5 PHE CD1 C 13 131.8150 0.2 . 1 . . . . 213 PHE CD# . 17138 1 606 . 2 2 5 5 PHE CD2 C 13 131.8150 0.2 . 1 . . . . 213 PHE CD# . 17138 1 607 . 2 2 5 5 PHE CE1 C 13 131.4200 0.2 . 1 . . . . 213 PHE CE# . 17138 1 608 . 2 2 5 5 PHE CE2 C 13 131.4200 0.2 . 1 . . . . 213 PHE CE# . 17138 1 609 . 2 2 5 5 PHE CZ C 13 129.6520 0.2 . 1 . . . . 213 PHE CZ . 17138 1 610 . 2 2 5 5 PHE N N 15 120.0696 0.2 . 1 . . . . 213 PHE N . 17138 1 611 . 2 2 6 6 ILE H H 1 8.0450 0.03 . 1 . . . . 214 ILE HN . 17138 1 612 . 2 2 6 6 ILE HA H 1 4.1290 0.03 . 1 . . . . 214 ILE HA . 17138 1 613 . 2 2 6 6 ILE HB H 1 1.7956 0.03 . 1 . . . . 214 ILE HB . 17138 1 614 . 2 2 6 6 ILE HD11 H 1 0.7998 0.03 . 1 . . . . 214 ILE HD1# . 17138 1 615 . 2 2 6 6 ILE HD12 H 1 0.7998 0.03 . 1 . . . . 214 ILE HD1# . 17138 1 616 . 2 2 6 6 ILE HD13 H 1 0.7998 0.03 . 1 . . . . 214 ILE HD1# . 17138 1 617 . 2 2 6 6 ILE HG12 H 1 1.4200 0.03 . 2 . . . . 214 ILE HG11 . 17138 1 618 . 2 2 6 6 ILE HG13 H 1 1.1700 0.03 . 2 . . . . 214 ILE HG12 . 17138 1 619 . 2 2 6 6 ILE HG21 H 1 0.8115 0.03 . 1 . . . . 214 ILE HG2# . 17138 1 620 . 2 2 6 6 ILE HG22 H 1 0.8115 0.03 . 1 . . . . 214 ILE HG2# . 17138 1 621 . 2 2 6 6 ILE HG23 H 1 0.8115 0.03 . 1 . . . . 214 ILE HG2# . 17138 1 622 . 2 2 6 6 ILE C C 13 175.2634 0.2 . 1 . . . . 214 ILE C . 17138 1 623 . 2 2 6 6 ILE CA C 13 60.1997 0.2 . 1 . . . . 214 ILE CA . 17138 1 624 . 2 2 6 6 ILE CB C 13 38.7715 0.2 . 1 . . . . 214 ILE CB . 17138 1 625 . 2 2 6 6 ILE CD1 C 13 12.0977 0.2 . 1 . . . . 214 ILE CD1 . 17138 1 626 . 2 2 6 6 ILE CG1 C 13 27.1412 0.2 . 1 . . . . 214 ILE CG1 . 17138 1 627 . 2 2 6 6 ILE CG2 C 13 17.4474 0.2 . 1 . . . . 214 ILE CG2 . 17138 1 628 . 2 2 6 6 ILE N N 15 124.3447 0.2 . 1 . . . . 214 ILE N . 17138 1 629 . 2 2 7 7 VAL H H 1 8.5480 0.03 . 1 . . . . 215 VAL HN . 17138 1 630 . 2 2 7 7 VAL HA H 1 4.2860 0.03 . 1 . . . . 215 VAL HA . 17138 1 631 . 2 2 7 7 VAL HB H 1 1.8045 0.03 . 1 . . . . 215 VAL HB . 17138 1 632 . 2 2 7 7 VAL HG11 H 1 1.1090 0.03 . 2 . . . . 215 VAL HG1# . 17138 1 633 . 2 2 7 7 VAL HG12 H 1 1.1090 0.03 . 2 . . . . 215 VAL HG1# . 17138 1 634 . 2 2 7 7 VAL HG13 H 1 1.1090 0.03 . 2 . . . . 215 VAL HG1# . 17138 1 635 . 2 2 7 7 VAL HG21 H 1 1.0480 0.03 . 2 . . . . 215 VAL HG2# . 17138 1 636 . 2 2 7 7 VAL HG22 H 1 1.0480 0.03 . 2 . . . . 215 VAL HG2# . 17138 1 637 . 2 2 7 7 VAL HG23 H 1 1.0480 0.03 . 2 . . . . 215 VAL HG2# . 17138 1 638 . 2 2 7 7 VAL C C 13 176.0869 0.2 . 1 . . . . 215 VAL C . 17138 1 639 . 2 2 7 7 VAL CA C 13 62.0898 0.2 . 1 . . . . 215 VAL CA . 17138 1 640 . 2 2 7 7 VAL CB C 13 33.4786 0.2 . 1 . . . . 215 VAL CB . 17138 1 641 . 2 2 7 7 VAL CG1 C 13 22.5455 0.2 . 2 . . . . 215 VAL CG1 . 17138 1 642 . 2 2 7 7 VAL CG2 C 13 22.6797 0.2 . 2 . . . . 215 VAL CG2 . 17138 1 643 . 2 2 7 7 VAL N N 15 127.0177 0.2 . 1 . . . . 215 VAL N . 17138 1 644 . 2 2 8 8 THR H H 1 9.2740 0.03 . 1 . . . . 216 THR HN . 17138 1 645 . 2 2 8 8 THR HA H 1 4.6940 0.03 . 1 . . . . 216 THR HA . 17138 1 646 . 2 2 8 8 THR HB H 1 3.7250 0.03 . 1 . . . . 216 THR HB . 17138 1 647 . 2 2 8 8 THR HG21 H 1 1.2845 0.03 . 1 . . . . 216 THR HG2# . 17138 1 648 . 2 2 8 8 THR HG22 H 1 1.2845 0.03 . 1 . . . . 216 THR HG2# . 17138 1 649 . 2 2 8 8 THR HG23 H 1 1.2845 0.03 . 1 . . . . 216 THR HG2# . 17138 1 650 . 2 2 8 8 THR C C 13 175.6673 0.2 . 1 . . . . 216 THR C . 17138 1 651 . 2 2 8 8 THR CA C 13 60.0140 0.2 . 1 . . . . 216 THR CA . 17138 1 652 . 2 2 8 8 THR CB C 13 72.2167 0.2 . 1 . . . . 216 THR CB . 17138 1 653 . 2 2 8 8 THR CG2 C 13 21.5520 0.2 . 1 . . . . 216 THR CG2 . 17138 1 654 . 2 2 8 8 THR N N 15 118.8529 0.2 . 1 . . . . 216 THR N . 17138 1 655 . 2 2 9 9 ASP H H 1 8.9660 0.03 . 1 . . . . 217 ASP HN . 17138 1 656 . 2 2 9 9 ASP HA H 1 4.4290 0.03 . 1 . . . . 217 ASP HA . 17138 1 657 . 2 2 9 9 ASP HB2 H 1 2.7160 0.03 . 2 . . . . 217 ASP HB1 . 17138 1 658 . 2 2 9 9 ASP HB3 H 1 2.6550 0.03 . 2 . . . . 217 ASP HB2 . 17138 1 659 . 2 2 9 9 ASP C C 13 179.1791 0.2 . 1 . . . . 217 ASP C . 17138 1 660 . 2 2 9 9 ASP CA C 13 57.8738 0.2 . 1 . . . . 217 ASP CA . 17138 1 661 . 2 2 9 9 ASP CB C 13 40.0888 0.2 . 1 . . . . 217 ASP CB . 17138 1 662 . 2 2 9 9 ASP N N 15 120.0979 0.2 . 1 . . . . 217 ASP N . 17138 1 663 . 2 2 10 10 GLU H H 1 8.3280 0.03 . 1 . . . . 218 GLU HN . 17138 1 664 . 2 2 10 10 GLU HA H 1 4.1490 0.03 . 1 . . . . 218 GLU HA . 17138 1 665 . 2 2 10 10 GLU HB2 H 1 1.9410 0.03 . 2 . . . . 218 GLU HB1 . 17138 1 666 . 2 2 10 10 GLU HB3 H 1 2.0960 0.03 . 2 . . . . 218 GLU HB2 . 17138 1 667 . 2 2 10 10 GLU HG2 H 1 2.3515 0.03 . 2 . . . . 218 GLU HG1 . 17138 1 668 . 2 2 10 10 GLU HG3 H 1 2.3010 0.03 . 2 . . . . 218 GLU HG2 . 17138 1 669 . 2 2 10 10 GLU C C 13 177.9998 0.2 . 1 . . . . 218 GLU C . 17138 1 670 . 2 2 10 10 GLU CA C 13 59.3975 0.2 . 1 . . . . 218 GLU CA . 17138 1 671 . 2 2 10 10 GLU CB C 13 29.3420 0.2 . 1 . . . . 218 GLU CB . 17138 1 672 . 2 2 10 10 GLU CG C 13 36.3170 0.2 . 1 . . . . 218 GLU CG . 17138 1 673 . 2 2 10 10 GLU N N 15 121.3276 0.2 . 1 . . . . 218 GLU N . 17138 1 674 . 2 2 11 11 ASP H H 1 7.8400 0.03 . 1 . . . . 219 ASP HN . 17138 1 675 . 2 2 11 11 ASP HA H 1 4.3740 0.03 . 1 . . . . 219 ASP HA . 17138 1 676 . 2 2 11 11 ASP HB2 H 1 3.2290 0.03 . 2 . . . . 219 ASP HB1 . 17138 1 677 . 2 2 11 11 ASP HB3 H 1 2.6300 0.03 . 2 . . . . 219 ASP HB2 . 17138 1 678 . 2 2 11 11 ASP C C 13 179.8870 0.2 . 1 . . . . 219 ASP C . 17138 1 679 . 2 2 11 11 ASP CA C 13 57.8515 0.2 . 1 . . . . 219 ASP CA . 17138 1 680 . 2 2 11 11 ASP CB C 13 41.0926 0.2 . 1 . . . . 219 ASP CB . 17138 1 681 . 2 2 11 11 ASP N N 15 120.0966 0.2 . 1 . . . . 219 ASP N . 17138 1 682 . 2 2 12 12 ILE H H 1 7.4590 0.03 . 1 . . . . 220 ILE HN . 17138 1 683 . 2 2 12 12 ILE HA H 1 3.5654 0.03 . 1 . . . . 220 ILE HA . 17138 1 684 . 2 2 12 12 ILE HB H 1 2.1107 0.03 . 1 . . . . 220 ILE HB . 17138 1 685 . 2 2 12 12 ILE HD11 H 1 0.8277 0.03 . 1 . . . . 220 ILE HD1# . 17138 1 686 . 2 2 12 12 ILE HD12 H 1 0.8277 0.03 . 1 . . . . 220 ILE HD1# . 17138 1 687 . 2 2 12 12 ILE HD13 H 1 0.8277 0.03 . 1 . . . . 220 ILE HD1# . 17138 1 688 . 2 2 12 12 ILE HG12 H 1 1.1270 0.03 . 2 . . . . 220 ILE HG11 . 17138 1 689 . 2 2 12 12 ILE HG13 H 1 1.6533 0.03 . 2 . . . . 220 ILE HG12 . 17138 1 690 . 2 2 12 12 ILE HG21 H 1 0.9240 0.03 . 1 . . . . 220 ILE HG2# . 17138 1 691 . 2 2 12 12 ILE HG22 H 1 0.9240 0.03 . 1 . . . . 220 ILE HG2# . 17138 1 692 . 2 2 12 12 ILE HG23 H 1 0.9240 0.03 . 1 . . . . 220 ILE HG2# . 17138 1 693 . 2 2 12 12 ILE C C 13 176.9615 0.2 . 1 . . . . 220 ILE C . 17138 1 694 . 2 2 12 12 ILE CA C 13 65.0706 0.2 . 1 . . . . 220 ILE CA . 17138 1 695 . 2 2 12 12 ILE CB C 13 37.2917 0.2 . 1 . . . . 220 ILE CB . 17138 1 696 . 2 2 12 12 ILE CD1 C 13 13.0616 0.2 . 1 . . . . 220 ILE CD1 . 17138 1 697 . 2 2 12 12 ILE CG1 C 13 29.8234 0.2 . 1 . . . . 220 ILE CG1 . 17138 1 698 . 2 2 12 12 ILE CG2 C 13 17.7079 0.2 . 1 . . . . 220 ILE CG2 . 17138 1 699 . 2 2 12 12 ILE N N 15 120.0071 0.2 . 1 . . . . 220 ILE N . 17138 1 700 . 2 2 13 13 ARG H H 1 8.2450 0.03 . 1 . . . . 221 ARG HN . 17138 1 701 . 2 2 13 13 ARG HA H 1 4.1700 0.03 . 1 . . . . 221 ARG HA . 17138 1 702 . 2 2 13 13 ARG HB2 H 1 1.9627 0.03 . 1 . . . . 221 ARG HB# . 17138 1 703 . 2 2 13 13 ARG HB3 H 1 1.9627 0.03 . 1 . . . . 221 ARG HB# . 17138 1 704 . 2 2 13 13 ARG HD2 H 1 3.2660 0.03 . 2 . . . . 221 ARG HD1 . 17138 1 705 . 2 2 13 13 ARG HD3 H 1 3.2120 0.03 . 2 . . . . 221 ARG HD2 . 17138 1 706 . 2 2 13 13 ARG HG2 H 1 1.7670 0.03 . 2 . . . . 221 ARG HG1 . 17138 1 707 . 2 2 13 13 ARG HG3 H 1 1.6520 0.03 . 2 . . . . 221 ARG HG2 . 17138 1 708 . 2 2 13 13 ARG C C 13 179.7621 0.2 . 1 . . . . 221 ARG C . 17138 1 709 . 2 2 13 13 ARG CA C 13 59.6244 0.2 . 1 . . . . 221 ARG CA . 17138 1 710 . 2 2 13 13 ARG CB C 13 29.9649 0.2 . 1 . . . . 221 ARG CB . 17138 1 711 . 2 2 13 13 ARG CD C 13 43.1361 0.2 . 1 . . . . 221 ARG CD . 17138 1 712 . 2 2 13 13 ARG CG C 13 27.4830 0.2 . 1 . . . . 221 ARG CG . 17138 1 713 . 2 2 13 13 ARG N N 15 121.1791 0.2 . 1 . . . . 221 ARG N . 17138 1 714 . 2 2 14 14 LYS H H 1 8.5000 0.03 . 1 . . . . 222 LYS HN . 17138 1 715 . 2 2 14 14 LYS HA H 1 4.0835 0.03 . 1 . . . . 222 LYS HA . 17138 1 716 . 2 2 14 14 LYS HB2 H 1 2.0977 0.03 . 1 . . . . 222 LYS HB# . 17138 1 717 . 2 2 14 14 LYS HB3 H 1 2.0977 0.03 . 1 . . . . 222 LYS HB# . 17138 1 718 . 2 2 14 14 LYS HD2 H 1 1.7400 0.03 . 1 . . . . 222 LYS HD# . 17138 1 719 . 2 2 14 14 LYS HD3 H 1 1.7400 0.03 . 1 . . . . 222 LYS HD# . 17138 1 720 . 2 2 14 14 LYS HE2 H 1 2.9970 0.03 . 1 . . . . 222 LYS HE# . 17138 1 721 . 2 2 14 14 LYS HE3 H 1 2.9970 0.03 . 1 . . . . 222 LYS HE# . 17138 1 722 . 2 2 14 14 LYS HG2 H 1 1.7250 0.03 . 2 . . . . 222 LYS HG1 . 17138 1 723 . 2 2 14 14 LYS HG3 H 1 1.5410 0.03 . 2 . . . . 222 LYS HG2 . 17138 1 724 . 2 2 14 14 LYS C C 13 179.4587 0.2 . 1 . . . . 222 LYS C . 17138 1 725 . 2 2 14 14 LYS CA C 13 59.4399 0.2 . 1 . . . . 222 LYS CA . 17138 1 726 . 2 2 14 14 LYS CB C 13 32.5551 0.2 . 1 . . . . 222 LYS CB . 17138 1 727 . 2 2 14 14 LYS CD C 13 29.2826 0.2 . 1 . . . . 222 LYS CD . 17138 1 728 . 2 2 14 14 LYS CE C 13 42.1375 0.2 . 1 . . . . 222 LYS CE . 17138 1 729 . 2 2 14 14 LYS CG C 13 25.5688 0.2 . 1 . . . . 222 LYS CG . 17138 1 730 . 2 2 14 14 LYS N N 15 118.0434 0.2 . 1 . . . . 222 LYS N . 17138 1 731 . 2 2 15 15 GLN H H 1 7.7660 0.03 . 1 . . . . 223 GLN HN . 17138 1 732 . 2 2 15 15 GLN HA H 1 4.3830 0.03 . 1 . . . . 223 GLN HA . 17138 1 733 . 2 2 15 15 GLN HB2 H 1 2.2055 0.03 . 2 . . . . 223 GLN HB1 . 17138 1 734 . 2 2 15 15 GLN HB3 H 1 2.0605 0.03 . 2 . . . . 223 GLN HB2 . 17138 1 735 . 2 2 15 15 GLN HG2 H 1 2.3705 0.03 . 2 . . . . 223 GLN HG1 . 17138 1 736 . 2 2 15 15 GLN HG3 H 1 2.1910 0.03 . 2 . . . . 223 GLN HG2 . 17138 1 737 . 2 2 15 15 GLN C C 13 177.9593 0.2 . 1 . . . . 223 GLN C . 17138 1 738 . 2 2 15 15 GLN CA C 13 57.1686 0.2 . 1 . . . . 223 GLN CA . 17138 1 739 . 2 2 15 15 GLN CB C 13 26.5062 0.2 . 1 . . . . 223 GLN CB . 17138 1 740 . 2 2 15 15 GLN CG C 13 32.7108 0.2 . 1 . . . . 223 GLN CG . 17138 1 741 . 2 2 15 15 GLN N N 15 120.8914 0.2 . 1 . . . . 223 GLN N . 17138 1 742 . 2 2 16 16 GLU H H 1 9.1110 0.03 . 1 . . . . 224 GLU HN . 17138 1 743 . 2 2 16 16 GLU HA H 1 3.9630 0.03 . 1 . . . . 224 GLU HA . 17138 1 744 . 2 2 16 16 GLU HB2 H 1 2.4260 0.03 . 2 . . . . 224 GLU HB1 . 17138 1 745 . 2 2 16 16 GLU HB3 H 1 2.0780 0.03 . 2 . . . . 224 GLU HB2 . 17138 1 746 . 2 2 16 16 GLU HG2 H 1 2.5140 0.03 . 2 . . . . 224 GLU HG1 . 17138 1 747 . 2 2 16 16 GLU HG3 H 1 2.2660 0.03 . 2 . . . . 224 GLU HG2 . 17138 1 748 . 2 2 16 16 GLU C C 13 179.8281 0.2 . 1 . . . . 224 GLU C . 17138 1 749 . 2 2 16 16 GLU CA C 13 60.3439 0.2 . 1 . . . . 224 GLU CA . 17138 1 750 . 2 2 16 16 GLU CB C 13 29.3697 0.2 . 1 . . . . 224 GLU CB . 17138 1 751 . 2 2 16 16 GLU CG C 13 37.4562 0.2 . 1 . . . . 224 GLU CG . 17138 1 752 . 2 2 16 16 GLU N N 15 122.9775 0.2 . 1 . . . . 224 GLU N . 17138 1 753 . 2 2 17 17 GLU H H 1 8.1150 0.03 . 1 . . . . 225 GLU HN . 17138 1 754 . 2 2 17 17 GLU HA H 1 4.0910 0.03 . 1 . . . . 225 GLU HA . 17138 1 755 . 2 2 17 17 GLU HB2 H 1 2.1670 0.03 . 1 . . . . 225 GLU HB# . 17138 1 756 . 2 2 17 17 GLU HB3 H 1 2.1670 0.03 . 1 . . . . 225 GLU HB# . 17138 1 757 . 2 2 17 17 GLU HG2 H 1 2.4830 0.03 . 2 . . . . 225 GLU HG1 . 17138 1 758 . 2 2 17 17 GLU HG3 H 1 2.2400 0.03 . 2 . . . . 225 GLU HG2 . 17138 1 759 . 2 2 17 17 GLU C C 13 178.6952 0.2 . 1 . . . . 225 GLU C . 17138 1 760 . 2 2 17 17 GLU CA C 13 59.5836 0.2 . 1 . . . . 225 GLU CA . 17138 1 761 . 2 2 17 17 GLU CB C 13 29.3042 0.2 . 1 . . . . 225 GLU CB . 17138 1 762 . 2 2 17 17 GLU CG C 13 36.6232 0.2 . 1 . . . . 225 GLU CG . 17138 1 763 . 2 2 17 17 GLU N N 15 119.9053 0.2 . 1 . . . . 225 GLU N . 17138 1 764 . 2 2 18 18 ARG H H 1 7.7800 0.03 . 1 . . . . 226 ARG HN . 17138 1 765 . 2 2 18 18 ARG HA H 1 4.1240 0.03 . 1 . . . . 226 ARG HA . 17138 1 766 . 2 2 18 18 ARG HB2 H 1 2.0170 0.03 . 1 . . . . 226 ARG HB# . 17138 1 767 . 2 2 18 18 ARG HB3 H 1 2.0170 0.03 . 1 . . . . 226 ARG HB# . 17138 1 768 . 2 2 18 18 ARG HD2 H 1 3.3615 0.03 . 2 . . . . 226 ARG HD1 . 17138 1 769 . 2 2 18 18 ARG HD3 H 1 3.2306 0.03 . 2 . . . . 226 ARG HD2 . 17138 1 770 . 2 2 18 18 ARG HG2 H 1 1.6425 0.03 . 1 . . . . 226 ARG HG# . 17138 1 771 . 2 2 18 18 ARG HG3 H 1 1.6425 0.03 . 1 . . . . 226 ARG HG# . 17138 1 772 . 2 2 18 18 ARG C C 13 178.8850 0.2 . 1 . . . . 226 ARG C . 17138 1 773 . 2 2 18 18 ARG CA C 13 59.3896 0.2 . 1 . . . . 226 ARG CA . 17138 1 774 . 2 2 18 18 ARG CB C 13 29.5071 0.2 . 1 . . . . 226 ARG CB . 17138 1 775 . 2 2 18 18 ARG CD C 13 42.9698 0.2 . 1 . . . . 226 ARG CD . 17138 1 776 . 2 2 18 18 ARG CG C 13 27.4747 0.2 . 1 . . . . 226 ARG CG . 17138 1 777 . 2 2 18 18 ARG N N 15 121.1340 0.2 . 1 . . . . 226 ARG N . 17138 1 778 . 2 2 19 19 VAL H H 1 8.2020 0.03 . 1 . . . . 227 VAL HN . 17138 1 779 . 2 2 19 19 VAL HA H 1 3.3700 0.03 . 1 . . . . 227 VAL HA . 17138 1 780 . 2 2 19 19 VAL HB H 1 2.3210 0.03 . 1 . . . . 227 VAL HB . 17138 1 781 . 2 2 19 19 VAL HG11 H 1 0.9852 0.03 . 1 . . . . 227 VAL HG1# . 17138 1 782 . 2 2 19 19 VAL HG12 H 1 0.9852 0.03 . 1 . . . . 227 VAL HG1# . 17138 1 783 . 2 2 19 19 VAL HG13 H 1 0.9852 0.03 . 1 . . . . 227 VAL HG1# . 17138 1 784 . 2 2 19 19 VAL HG21 H 1 1.0950 0.03 . 1 . . . . 227 VAL HG2# . 17138 1 785 . 2 2 19 19 VAL HG22 H 1 1.0950 0.03 . 1 . . . . 227 VAL HG2# . 17138 1 786 . 2 2 19 19 VAL HG23 H 1 1.0950 0.03 . 1 . . . . 227 VAL HG2# . 17138 1 787 . 2 2 19 19 VAL C C 13 177.3431 0.2 . 1 . . . . 227 VAL C . 17138 1 788 . 2 2 19 19 VAL CA C 13 67.6192 0.2 . 1 . . . . 227 VAL CA . 17138 1 789 . 2 2 19 19 VAL CB C 13 31.8136 0.2 . 1 . . . . 227 VAL CB . 17138 1 790 . 2 2 19 19 VAL CG1 C 13 21.8949 0.2 . 2 . . . . 227 VAL CG1 . 17138 1 791 . 2 2 19 19 VAL CG2 C 13 24.5655 0.2 . 2 . . . . 227 VAL CG2 . 17138 1 792 . 2 2 19 19 VAL N N 15 118.8633 0.2 . 1 . . . . 227 VAL N . 17138 1 793 . 2 2 20 20 GLN H H 1 8.0480 0.03 . 1 . . . . 228 GLN HN . 17138 1 794 . 2 2 20 20 GLN HA H 1 4.0145 0.03 . 1 . . . . 228 GLN HA . 17138 1 795 . 2 2 20 20 GLN HB2 H 1 2.2120 0.03 . 1 . . . . 228 GLN HB# . 17138 1 796 . 2 2 20 20 GLN HB3 H 1 2.2120 0.03 . 1 . . . . 228 GLN HB# . 17138 1 797 . 2 2 20 20 GLN HG2 H 1 2.5293 0.03 . 1 . . . . 228 GLN HG# . 17138 1 798 . 2 2 20 20 GLN HG3 H 1 2.5293 0.03 . 1 . . . . 228 GLN HG# . 17138 1 799 . 2 2 20 20 GLN C C 13 178.7468 0.2 . 1 . . . . 228 GLN C . 17138 1 800 . 2 2 20 20 GLN CA C 13 58.9315 0.2 . 1 . . . . 228 GLN CA . 17138 1 801 . 2 2 20 20 GLN CB C 13 28.0037 0.2 . 1 . . . . 228 GLN CB . 17138 1 802 . 2 2 20 20 GLN CG C 13 33.6082 0.2 . 1 . . . . 228 GLN CG . 17138 1 803 . 2 2 20 20 GLN N N 15 117.6030 0.2 . 1 . . . . 228 GLN N . 17138 1 804 . 2 2 21 21 GLN H H 1 8.3350 0.03 . 1 . . . . 229 GLN HN . 17138 1 805 . 2 2 21 21 GLN HA H 1 4.0850 0.03 . 1 . . . . 229 GLN HA . 17138 1 806 . 2 2 21 21 GLN HB2 H 1 2.3587 0.03 . 1 . . . . 229 GLN HB# . 17138 1 807 . 2 2 21 21 GLN HB3 H 1 2.3587 0.03 . 1 . . . . 229 GLN HB# . 17138 1 808 . 2 2 21 21 GLN HG2 H 1 2.6493 0.03 . 2 . . . . 229 GLN HG1 . 17138 1 809 . 2 2 21 21 GLN HG3 H 1 2.4643 0.03 . 2 . . . . 229 GLN HG2 . 17138 1 810 . 2 2 21 21 GLN C C 13 179.3591 0.2 . 1 . . . . 229 GLN C . 17138 1 811 . 2 2 21 21 GLN CA C 13 59.0761 0.2 . 1 . . . . 229 GLN CA . 17138 1 812 . 2 2 21 21 GLN CB C 13 28.3180 0.2 . 1 . . . . 229 GLN CB . 17138 1 813 . 2 2 21 21 GLN CG C 13 34.0047 0.2 . 1 . . . . 229 GLN CG . 17138 1 814 . 2 2 21 21 GLN N N 15 119.1629 0.2 . 1 . . . . 229 GLN N . 17138 1 815 . 2 2 22 22 VAL H H 1 8.0590 0.03 . 1 . . . . 230 VAL HN . 17138 1 816 . 2 2 22 22 VAL HA H 1 3.7175 0.03 . 1 . . . . 230 VAL HA . 17138 1 817 . 2 2 22 22 VAL HB H 1 2.1493 0.03 . 1 . . . . 230 VAL HB . 17138 1 818 . 2 2 22 22 VAL HG11 H 1 1.1250 0.03 . 2 . . . . 230 VAL HG1# . 17138 1 819 . 2 2 22 22 VAL HG12 H 1 1.1250 0.03 . 2 . . . . 230 VAL HG1# . 17138 1 820 . 2 2 22 22 VAL HG13 H 1 1.1250 0.03 . 2 . . . . 230 VAL HG1# . 17138 1 821 . 2 2 22 22 VAL HG21 H 1 1.0353 0.03 . 2 . . . . 230 VAL HG2# . 17138 1 822 . 2 2 22 22 VAL HG22 H 1 1.0353 0.03 . 2 . . . . 230 VAL HG2# . 17138 1 823 . 2 2 22 22 VAL HG23 H 1 1.0353 0.03 . 2 . . . . 230 VAL HG2# . 17138 1 824 . 2 2 22 22 VAL C C 13 177.5579 0.2 . 1 . . . . 230 VAL C . 17138 1 825 . 2 2 22 22 VAL CA C 13 66.5914 0.2 . 1 . . . . 230 VAL CA . 17138 1 826 . 2 2 22 22 VAL CB C 13 31.2455 0.2 . 1 . . . . 230 VAL CB . 17138 1 827 . 2 2 22 22 VAL CG1 C 13 22.8472 0.2 . 2 . . . . 230 VAL CG1 . 17138 1 828 . 2 2 22 22 VAL CG2 C 13 22.6726 0.2 . 2 . . . . 230 VAL CG2 . 17138 1 829 . 2 2 22 22 VAL N N 15 120.6084 0.2 . 1 . . . . 230 VAL N . 17138 1 830 . 2 2 23 23 ARG H H 1 8.6940 0.03 . 1 . . . . 231 ARG HN . 17138 1 831 . 2 2 23 23 ARG HA H 1 3.8617 0.03 . 1 . . . . 231 ARG HA . 17138 1 832 . 2 2 23 23 ARG HB2 H 1 1.9225 0.03 . 1 . . . . 231 ARG HB# . 17138 1 833 . 2 2 23 23 ARG HB3 H 1 1.9225 0.03 . 1 . . . . 231 ARG HB# . 17138 1 834 . 2 2 23 23 ARG HD2 H 1 3.2730 0.03 . 2 . . . . 231 ARG HD1 . 17138 1 835 . 2 2 23 23 ARG HD3 H 1 3.1765 0.03 . 2 . . . . 231 ARG HD2 . 17138 1 836 . 2 2 23 23 ARG HG2 H 1 1.7790 0.03 . 2 . . . . 231 ARG HG1 . 17138 1 837 . 2 2 23 23 ARG HG3 H 1 1.6270 0.03 . 2 . . . . 231 ARG HG2 . 17138 1 838 . 2 2 23 23 ARG C C 13 178.7392 0.2 . 1 . . . . 231 ARG C . 17138 1 839 . 2 2 23 23 ARG CA C 13 60.7816 0.2 . 1 . . . . 231 ARG CA . 17138 1 840 . 2 2 23 23 ARG CB C 13 29.8613 0.2 . 1 . . . . 231 ARG CB . 17138 1 841 . 2 2 23 23 ARG CD C 13 43.4441 0.2 . 1 . . . . 231 ARG CD . 17138 1 842 . 2 2 23 23 ARG CG C 13 28.3970 0.2 . 1 . . . . 231 ARG CG . 17138 1 843 . 2 2 23 23 ARG N N 15 120.8221 0.2 . 1 . . . . 231 ARG N . 17138 1 844 . 2 2 24 24 LYS H H 1 8.1670 0.03 . 1 . . . . 232 LYS HN . 17138 1 845 . 2 2 24 24 LYS HA H 1 4.1470 0.03 . 1 . . . . 232 LYS HA . 17138 1 846 . 2 2 24 24 LYS HB2 H 1 1.9716 0.03 . 1 . . . . 232 LYS HB# . 17138 1 847 . 2 2 24 24 LYS HB3 H 1 1.9716 0.03 . 1 . . . . 232 LYS HB# . 17138 1 848 . 2 2 24 24 LYS HD2 H 1 1.7280 0.03 . 1 . . . . 232 LYS HD# . 17138 1 849 . 2 2 24 24 LYS HD3 H 1 1.7280 0.03 . 1 . . . . 232 LYS HD# . 17138 1 850 . 2 2 24 24 LYS HE2 H 1 3.0090 0.03 . 1 . . . . 232 LYS HE# . 17138 1 851 . 2 2 24 24 LYS HE3 H 1 3.0090 0.03 . 1 . . . . 232 LYS HE# . 17138 1 852 . 2 2 24 24 LYS HG2 H 1 1.5625 0.03 . 2 . . . . 232 LYS HG1 . 17138 1 853 . 2 2 24 24 LYS HG3 H 1 1.4860 0.03 . 2 . . . . 232 LYS HG2 . 17138 1 854 . 2 2 24 24 LYS C C 13 178.7230 0.2 . 1 . . . . 232 LYS C . 17138 1 855 . 2 2 24 24 LYS CA C 13 59.1140 0.2 . 1 . . . . 232 LYS CA . 17138 1 856 . 2 2 24 24 LYS CB C 13 32.1774 0.2 . 1 . . . . 232 LYS CB . 17138 1 857 . 2 2 24 24 LYS CD C 13 28.9807 0.2 . 1 . . . . 232 LYS CD . 17138 1 858 . 2 2 24 24 LYS CE C 13 42.1465 0.2 . 1 . . . . 232 LYS CE . 17138 1 859 . 2 2 24 24 LYS CG C 13 24.8866 0.2 . 1 . . . . 232 LYS CG . 17138 1 860 . 2 2 24 24 LYS N N 15 118.8163 0.2 . 1 . . . . 232 LYS N . 17138 1 861 . 2 2 25 25 LYS H H 1 7.6880 0.03 . 1 . . . . 233 LYS HN . 17138 1 862 . 2 2 25 25 LYS HA H 1 4.1360 0.03 . 1 . . . . 233 LYS HA . 17138 1 863 . 2 2 25 25 LYS HB2 H 1 1.9150 0.03 . 1 . . . . 233 LYS HB# . 17138 1 864 . 2 2 25 25 LYS HB3 H 1 1.9150 0.03 . 1 . . . . 233 LYS HB# . 17138 1 865 . 2 2 25 25 LYS HD2 H 1 1.7355 0.03 . 1 . . . . 233 LYS HD# . 17138 1 866 . 2 2 25 25 LYS HD3 H 1 1.7355 0.03 . 1 . . . . 233 LYS HD# . 17138 1 867 . 2 2 25 25 LYS HE2 H 1 2.9710 0.03 . 1 . . . . 233 LYS HE# . 17138 1 868 . 2 2 25 25 LYS HE3 H 1 2.9710 0.03 . 1 . . . . 233 LYS HE# . 17138 1 869 . 2 2 25 25 LYS HG2 H 1 1.7305 0.03 . 2 . . . . 233 LYS HG1 . 17138 1 870 . 2 2 25 25 LYS HG3 H 1 1.5370 0.03 . 2 . . . . 233 LYS HG2 . 17138 1 871 . 2 2 25 25 LYS C C 13 179.8957 0.2 . 1 . . . . 233 LYS C . 17138 1 872 . 2 2 25 25 LYS CA C 13 59.3412 0.2 . 1 . . . . 233 LYS CA . 17138 1 873 . 2 2 25 25 LYS CB C 13 32.5383 0.2 . 1 . . . . 233 LYS CB . 17138 1 874 . 2 2 25 25 LYS CD C 13 29.3024 0.2 . 1 . . . . 233 LYS CD . 17138 1 875 . 2 2 25 25 LYS CE C 13 42.1233 0.2 . 1 . . . . 233 LYS CE . 17138 1 876 . 2 2 25 25 LYS CG C 13 25.5429 0.2 . 1 . . . . 233 LYS CG . 17138 1 877 . 2 2 25 25 LYS N N 15 119.3430 0.2 . 1 . . . . 233 LYS N . 17138 1 878 . 2 2 26 26 LEU H H 1 8.5340 0.03 . 1 . . . . 234 LEU HN . 17138 1 879 . 2 2 26 26 LEU HA H 1 4.1660 0.03 . 1 . . . . 234 LEU HA . 17138 1 880 . 2 2 26 26 LEU HB2 H 1 2.1925 0.03 . 2 . . . . 234 LEU HB1 . 17138 1 881 . 2 2 26 26 LEU HB3 H 1 1.4287 0.03 . 2 . . . . 234 LEU HB2 . 17138 1 882 . 2 2 26 26 LEU HD11 H 1 0.9975 0.03 . 2 . . . . 234 LEU HD1# . 17138 1 883 . 2 2 26 26 LEU HD12 H 1 0.9975 0.03 . 2 . . . . 234 LEU HD1# . 17138 1 884 . 2 2 26 26 LEU HD13 H 1 0.9975 0.03 . 2 . . . . 234 LEU HD1# . 17138 1 885 . 2 2 26 26 LEU HD21 H 1 0.9447 0.03 . 2 . . . . 234 LEU HD2# . 17138 1 886 . 2 2 26 26 LEU HD22 H 1 0.9447 0.03 . 2 . . . . 234 LEU HD2# . 17138 1 887 . 2 2 26 26 LEU HD23 H 1 0.9447 0.03 . 2 . . . . 234 LEU HD2# . 17138 1 888 . 2 2 26 26 LEU HG H 1 1.6520 0.03 . 1 . . . . 234 LEU HG . 17138 1 889 . 2 2 26 26 LEU C C 13 177.3595 0.2 . 1 . . . . 234 LEU C . 17138 1 890 . 2 2 26 26 LEU CA C 13 58.2141 0.2 . 1 . . . . 234 LEU CA . 17138 1 891 . 2 2 26 26 LEU CB C 13 41.3251 0.2 . 1 . . . . 234 LEU CB . 17138 1 892 . 2 2 26 26 LEU CD1 C 13 24.1941 0.2 . 2 . . . . 234 LEU CD1 . 17138 1 893 . 2 2 26 26 LEU CD2 C 13 27.4513 0.2 . 2 . . . . 234 LEU CD2 . 17138 1 894 . 2 2 26 26 LEU CG C 13 27.4967 0.2 . 1 . . . . 234 LEU CG . 17138 1 895 . 2 2 26 26 LEU N N 15 121.9491 0.2 . 1 . . . . 234 LEU N . 17138 1 896 . 2 2 27 27 GLU H H 1 8.5400 0.03 . 1 . . . . 235 GLU HN . 17138 1 897 . 2 2 27 27 GLU HA H 1 3.9180 0.03 . 1 . . . . 235 GLU HA . 17138 1 898 . 2 2 27 27 GLU HB2 H 1 2.2200 0.03 . 2 . . . . 235 GLU HB1 . 17138 1 899 . 2 2 27 27 GLU HB3 H 1 2.0990 0.03 . 2 . . . . 235 GLU HB2 . 17138 1 900 . 2 2 27 27 GLU HG2 H 1 2.4860 0.03 . 2 . . . . 235 GLU HG1 . 17138 1 901 . 2 2 27 27 GLU HG3 H 1 2.2470 0.03 . 2 . . . . 235 GLU HG2 . 17138 1 902 . 2 2 27 27 GLU C C 13 179.7481 0.2 . 1 . . . . 235 GLU C . 17138 1 903 . 2 2 27 27 GLU CA C 13 59.9514 0.2 . 1 . . . . 235 GLU CA . 17138 1 904 . 2 2 27 27 GLU CB C 13 29.3420 0.2 . 1 . . . . 235 GLU CB . 17138 1 905 . 2 2 27 27 GLU CG C 13 36.7916 0.2 . 1 . . . . 235 GLU CG . 17138 1 906 . 2 2 27 27 GLU N N 15 119.2271 0.2 . 1 . . . . 235 GLU N . 17138 1 907 . 2 2 28 28 GLU H H 1 8.2130 0.03 . 1 . . . . 236 GLU HN . 17138 1 908 . 2 2 28 28 GLU HA H 1 4.0280 0.03 . 1 . . . . 236 GLU HA . 17138 1 909 . 2 2 28 28 GLU HB2 H 1 2.0810 0.03 . 1 . . . . 236 GLU HB# . 17138 1 910 . 2 2 28 28 GLU HB3 H 1 2.0810 0.03 . 1 . . . . 236 GLU HB# . 17138 1 911 . 2 2 28 28 GLU HG2 H 1 2.5020 0.03 . 2 . . . . 236 GLU HG1 . 17138 1 912 . 2 2 28 28 GLU HG3 H 1 2.2500 0.03 . 2 . . . . 236 GLU HG2 . 17138 1 913 . 2 2 28 28 GLU C C 13 179.2277 0.2 . 1 . . . . 236 GLU C . 17138 1 914 . 2 2 28 28 GLU CA C 13 59.4260 0.2 . 1 . . . . 236 GLU CA . 17138 1 915 . 2 2 28 28 GLU CB C 13 29.4530 0.2 . 1 . . . . 236 GLU CB . 17138 1 916 . 2 2 28 28 GLU CG C 13 36.9044 0.2 . 1 . . . . 236 GLU CG . 17138 1 917 . 2 2 28 28 GLU N N 15 117.7771 0.2 . 1 . . . . 236 GLU N . 17138 1 918 . 2 2 29 29 ALA H H 1 8.0170 0.03 . 1 . . . . 237 ALA HN . 17138 1 919 . 2 2 29 29 ALA HA H 1 4.2240 0.03 . 1 . . . . 237 ALA HA . 17138 1 920 . 2 2 29 29 ALA HB1 H 1 1.4900 0.03 . 1 . . . . 237 ALA HB# . 17138 1 921 . 2 2 29 29 ALA HB2 H 1 1.4900 0.03 . 1 . . . . 237 ALA HB# . 17138 1 922 . 2 2 29 29 ALA HB3 H 1 1.4900 0.03 . 1 . . . . 237 ALA HB# . 17138 1 923 . 2 2 29 29 ALA C C 13 180.0539 0.2 . 1 . . . . 237 ALA C . 17138 1 924 . 2 2 29 29 ALA CA C 13 54.8108 0.2 . 1 . . . . 237 ALA CA . 17138 1 925 . 2 2 29 29 ALA CB C 13 18.6229 0.2 . 1 . . . . 237 ALA CB . 17138 1 926 . 2 2 29 29 ALA N N 15 122.7911 0.2 . 1 . . . . 237 ALA N . 17138 1 927 . 2 2 30 30 LEU H H 1 8.3310 0.03 . 1 . . . . 238 LEU HN . 17138 1 928 . 2 2 30 30 LEU HA H 1 4.0920 0.03 . 1 . . . . 238 LEU HA . 17138 1 929 . 2 2 30 30 LEU HB2 H 1 1.9290 0.03 . 2 . . . . 238 LEU HB1 . 17138 1 930 . 2 2 30 30 LEU HB3 H 1 1.5330 0.03 . 2 . . . . 238 LEU HB2 . 17138 1 931 . 2 2 30 30 LEU HD11 H 1 0.9265 0.03 . 2 . . . . 238 LEU HD1# . 17138 1 932 . 2 2 30 30 LEU HD12 H 1 0.9265 0.03 . 2 . . . . 238 LEU HD1# . 17138 1 933 . 2 2 30 30 LEU HD13 H 1 0.9265 0.03 . 2 . . . . 238 LEU HD1# . 17138 1 934 . 2 2 30 30 LEU HD21 H 1 0.8877 0.03 . 2 . . . . 238 LEU HD2# . 17138 1 935 . 2 2 30 30 LEU HD22 H 1 0.8877 0.03 . 2 . . . . 238 LEU HD2# . 17138 1 936 . 2 2 30 30 LEU HD23 H 1 0.8877 0.03 . 2 . . . . 238 LEU HD2# . 17138 1 937 . 2 2 30 30 LEU HG H 1 1.8452 0.03 . 1 . . . . 238 LEU HG . 17138 1 938 . 2 2 30 30 LEU C C 13 179.0131 0.2 . 1 . . . . 238 LEU C . 17138 1 939 . 2 2 30 30 LEU CA C 13 56.7929 0.2 . 1 . . . . 238 LEU CA . 17138 1 940 . 2 2 30 30 LEU CB C 13 42.5068 0.2 . 1 . . . . 238 LEU CB . 17138 1 941 . 2 2 30 30 LEU CD1 C 13 23.4235 0.2 . 2 . . . . 238 LEU CD1 . 17138 1 942 . 2 2 30 30 LEU CD2 C 13 25.9145 0.2 . 2 . . . . 238 LEU CD2 . 17138 1 943 . 2 2 30 30 LEU CG C 13 27.0185 0.2 . 1 . . . . 238 LEU CG . 17138 1 944 . 2 2 30 30 LEU N N 15 117.4813 0.2 . 1 . . . . 238 LEU N . 17138 1 945 . 2 2 31 31 MET H H 1 7.6830 0.03 . 1 . . . . 239 MET HN . 17138 1 946 . 2 2 31 31 MET HA H 1 4.4470 0.03 . 1 . . . . 239 MET HA . 17138 1 947 . 2 2 31 31 MET HB2 H 1 2.1680 0.03 . 1 . . . . 239 MET HB# . 17138 1 948 . 2 2 31 31 MET HB3 H 1 2.1680 0.03 . 1 . . . . 239 MET HB# . 17138 1 949 . 2 2 31 31 MET HE1 H 1 2.1220 0.03 . 1 . . . . 239 MET HE# . 17138 1 950 . 2 2 31 31 MET HE2 H 1 2.1220 0.03 . 1 . . . . 239 MET HE# . 17138 1 951 . 2 2 31 31 MET HE3 H 1 2.1220 0.03 . 1 . . . . 239 MET HE# . 17138 1 952 . 2 2 31 31 MET HG2 H 1 2.7730 0.03 . 2 . . . . 239 MET HG1 . 17138 1 953 . 2 2 31 31 MET HG3 H 1 2.6770 0.03 . 2 . . . . 239 MET HG2 . 17138 1 954 . 2 2 31 31 MET C C 13 176.5484 0.2 . 1 . . . . 239 MET C . 17138 1 955 . 2 2 31 31 MET CA C 13 56.1549 0.2 . 1 . . . . 239 MET CA . 17138 1 956 . 2 2 31 31 MET CB C 13 32.6551 0.2 . 1 . . . . 239 MET CB . 17138 1 957 . 2 2 31 31 MET CE C 13 16.8818 0.2 . 1 . . . . 239 MET CE . 17138 1 958 . 2 2 31 31 MET CG C 13 32.1721 0.2 . 1 . . . . 239 MET CG . 17138 1 959 . 2 2 31 31 MET N N 15 116.9269 0.2 . 1 . . . . 239 MET N . 17138 1 960 . 2 2 32 32 ALA H H 1 7.6340 0.03 . 1 . . . . 240 ALA HN . 17138 1 961 . 2 2 32 32 ALA HA H 1 4.2590 0.03 . 1 . . . . 240 ALA HA . 17138 1 962 . 2 2 32 32 ALA HB1 H 1 1.4585 0.03 . 1 . . . . 240 ALA HB# . 17138 1 963 . 2 2 32 32 ALA HB2 H 1 1.4585 0.03 . 1 . . . . 240 ALA HB# . 17138 1 964 . 2 2 32 32 ALA HB3 H 1 1.4585 0.03 . 1 . . . . 240 ALA HB# . 17138 1 965 . 2 2 32 32 ALA C C 13 177.7014 0.2 . 1 . . . . 240 ALA C . 17138 1 966 . 2 2 32 32 ALA CA C 13 53.2785 0.2 . 1 . . . . 240 ALA CA . 17138 1 967 . 2 2 32 32 ALA CB C 13 19.1279 0.2 . 1 . . . . 240 ALA CB . 17138 1 968 . 2 2 32 32 ALA N N 15 122.5316 0.2 . 1 . . . . 240 ALA N . 17138 1 969 . 2 2 33 33 ASP H H 1 8.1450 0.03 . 1 . . . . 241 ASP HN . 17138 1 970 . 2 2 33 33 ASP HA H 1 4.5925 0.03 . 1 . . . . 241 ASP HA . 17138 1 971 . 2 2 33 33 ASP HB2 H 1 2.7340 0.03 . 2 . . . . 241 ASP HB1 . 17138 1 972 . 2 2 33 33 ASP HB3 H 1 2.6390 0.03 . 2 . . . . 241 ASP HB2 . 17138 1 973 . 2 2 33 33 ASP C C 13 176.4038 0.2 . 1 . . . . 241 ASP C . 17138 1 974 . 2 2 33 33 ASP CA C 13 54.8255 0.2 . 1 . . . . 241 ASP CA . 17138 1 975 . 2 2 33 33 ASP CB C 13 41.4790 0.2 . 1 . . . . 241 ASP CB . 17138 1 976 . 2 2 33 33 ASP N N 15 118.6644 0.2 . 1 . . . . 241 ASP N . 17138 1 977 . 2 2 34 34 ILE H H 1 7.9290 0.03 . 1 . . . . 242 ILE HN . 17138 1 978 . 2 2 34 34 ILE HA H 1 4.2212 0.03 . 1 . . . . 242 ILE HA . 17138 1 979 . 2 2 34 34 ILE HB H 1 1.9552 0.03 . 1 . . . . 242 ILE HB . 17138 1 980 . 2 2 34 34 ILE HD11 H 1 0.8930 0.03 . 1 . . . . 242 ILE HD1# . 17138 1 981 . 2 2 34 34 ILE HD12 H 1 0.8930 0.03 . 1 . . . . 242 ILE HD1# . 17138 1 982 . 2 2 34 34 ILE HD13 H 1 0.8930 0.03 . 1 . . . . 242 ILE HD1# . 17138 1 983 . 2 2 34 34 ILE HG12 H 1 1.5120 0.03 . 2 . . . . 242 ILE HG11 . 17138 1 984 . 2 2 34 34 ILE HG13 H 1 1.2240 0.03 . 2 . . . . 242 ILE HG12 . 17138 1 985 . 2 2 34 34 ILE HG21 H 1 0.9390 0.03 . 1 . . . . 242 ILE HG2# . 17138 1 986 . 2 2 34 34 ILE HG22 H 1 0.9390 0.03 . 1 . . . . 242 ILE HG2# . 17138 1 987 . 2 2 34 34 ILE HG23 H 1 0.9390 0.03 . 1 . . . . 242 ILE HG2# . 17138 1 988 . 2 2 34 34 ILE C C 13 176.2315 0.2 . 1 . . . . 242 ILE C . 17138 1 989 . 2 2 34 34 ILE CA C 13 61.4590 0.2 . 1 . . . . 242 ILE CA . 17138 1 990 . 2 2 34 34 ILE CB C 13 38.7451 0.2 . 1 . . . . 242 ILE CB . 17138 1 991 . 2 2 34 34 ILE CD1 C 13 13.1583 0.2 . 1 . . . . 242 ILE CD1 . 17138 1 992 . 2 2 34 34 ILE CG1 C 13 27.3455 0.2 . 1 . . . . 242 ILE CG1 . 17138 1 993 . 2 2 34 34 ILE CG2 C 13 17.6627 0.2 . 1 . . . . 242 ILE CG2 . 17138 1 994 . 2 2 34 34 ILE N N 15 119.6425 0.2 . 1 . . . . 242 ILE N . 17138 1 995 . 2 2 35 35 LEU H H 1 8.1940 0.03 . 1 . . . . 243 LEU HN . 17138 1 996 . 2 2 35 35 LEU HA H 1 4.4770 0.03 . 1 . . . . 243 LEU HA . 17138 1 997 . 2 2 35 35 LEU HB2 H 1 1.6763 0.03 . 1 . . . . 243 LEU HB# . 17138 1 998 . 2 2 35 35 LEU HB3 H 1 1.6763 0.03 . 1 . . . . 243 LEU HB# . 17138 1 999 . 2 2 35 35 LEU HD11 H 1 0.9535 0.03 . 2 . . . . 243 LEU HD1# . 17138 1 1000 . 2 2 35 35 LEU HD12 H 1 0.9535 0.03 . 2 . . . . 243 LEU HD1# . 17138 1 1001 . 2 2 35 35 LEU HD13 H 1 0.9535 0.03 . 2 . . . . 243 LEU HD1# . 17138 1 1002 . 2 2 35 35 LEU HD21 H 1 0.8942 0.03 . 2 . . . . 243 LEU HD2# . 17138 1 1003 . 2 2 35 35 LEU HD22 H 1 0.8942 0.03 . 2 . . . . 243 LEU HD2# . 17138 1 1004 . 2 2 35 35 LEU HD23 H 1 0.8942 0.03 . 2 . . . . 243 LEU HD2# . 17138 1 1005 . 2 2 35 35 LEU HG H 1 1.6643 0.03 . 1 . . . . 243 LEU HG . 17138 1 1006 . 2 2 35 35 LEU C C 13 176.5281 0.2 . 1 . . . . 243 LEU C . 17138 1 1007 . 2 2 35 35 LEU CA C 13 55.1427 0.2 . 1 . . . . 243 LEU CA . 17138 1 1008 . 2 2 35 35 LEU CB C 13 42.3744 0.2 . 1 . . . . 243 LEU CB . 17138 1 1009 . 2 2 35 35 LEU CD1 C 13 25.0957 0.2 . 2 . . . . 243 LEU CD1 . 17138 1 1010 . 2 2 35 35 LEU CD2 C 13 23.3393 0.2 . 2 . . . . 243 LEU CD2 . 17138 1 1011 . 2 2 35 35 LEU CG C 13 27.0175 0.2 . 1 . . . . 243 LEU CG . 17138 1 1012 . 2 2 35 35 LEU N N 15 125.0452 0.2 . 1 . . . . 243 LEU N . 17138 1 1013 . 2 2 36 36 SER H H 1 7.8050 0.03 . 1 . . . . 244 SER HN . 17138 1 1014 . 2 2 36 36 SER HA H 1 4.2675 0.03 . 1 . . . . 244 SER HA . 17138 1 1015 . 2 2 36 36 SER HB2 H 1 3.8575 0.03 . 1 . . . . 244 SER HB# . 17138 1 1016 . 2 2 36 36 SER HB3 H 1 3.8575 0.03 . 1 . . . . 244 SER HB# . 17138 1 1017 . 2 2 36 36 SER CA C 13 60.1086 0.2 . 1 . . . . 244 SER CA . 17138 1 1018 . 2 2 36 36 SER CB C 13 64.9898 0.2 . 1 . . . . 244 SER CB . 17138 1 1019 . 2 2 36 36 SER N N 15 122.1946 0.2 . 1 . . . . 244 SER N . 17138 1 stop_ save_