data_17407 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17407 _Entry.Title ; The complex structure of homeodomain in solution ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-01-12 _Entry.Accession_date 2011-01-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Changdong LIU . . . 17407 2 Bo ZHOU . . . 17407 3 Guang ZHU . . . 17407 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' . 17407 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID homeodomain . 17407 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17407 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 300 17407 '15N chemical shifts' 88 17407 '1H chemical shifts' 550 17407 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-08-21 2011-01-12 update BMRB 'update entry citation' 17407 1 . . 2012-06-04 2011-01-12 original author 'original release' 17407 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LP0 'BMRB Entry Tracking System' 17407 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17407 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22615398 _Citation.Full_citation . _Citation.Title 'Structural basis for homeodomain recognition by the cell-cycle regulator Geminin.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 109 _Citation.Journal_issue 23 _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 8931 _Citation.Page_last 8936 _Citation.Year 2012 _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 Bo Zhou . . . 17407 1 2 Changdong Liu . . . 17407 1 3 Zhiwen Xu . . . 17407 1 4 Guang Zhu . . . 17407 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17407 _Assembly.ID 1 _Assembly.Name homeodomain _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 entity_1 1 $entity_1 A . yes native no no . . . 17407 1 2 entity_2 2 $entity_2 B . yes native no no . . . 17407 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 17407 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; TRKKRCPYTKYQTLELEKEF LFNMYLTRDRRYEVARVLNL TERQVKIWFQNRRMKMKKMN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 60 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7739.270 _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 BMRB 25142 . entity . . . . . 100.00 68 100.00 100.00 8.00e-34 . . . . 17407 1 2 no PDB 2LP0 . "The Solution Structure Of Homeodomain-Protein Complex" . . . . . 100.00 60 100.00 100.00 1.47e-33 . . . . 17407 1 3 no PDB 2MSY . "Solution Structure Of Hox Homeodomain" . . . . . 100.00 68 100.00 100.00 8.00e-34 . . . . 17407 1 4 no DBJ BAA86253 . "HOXC9A [Oryzias latipes]" . . . . . 100.00 262 100.00 100.00 4.27e-34 . . . . 17407 1 5 no DBJ BAB28077 . "unnamed protein product [Mus musculus]" . . . . . 100.00 260 100.00 100.00 3.40e-35 . . . . 17407 1 6 no DBJ BAC37378 . "unnamed protein product [Mus musculus]" . . . . . 100.00 260 100.00 100.00 3.40e-35 . . . . 17407 1 7 no DBJ BAE44282 . "hoxC9a [Oryzias latipes]" . . . . . 100.00 262 100.00 100.00 6.66e-34 . . . . 17407 1 8 no DBJ BAE53490 . "hoxC9a [Oryzias latipes]" . . . . . 100.00 262 100.00 100.00 6.66e-34 . . . . 17407 1 9 no EMBL CAA30487 . "unnamed protein product [Mus musculus]" . . . . . 100.00 74 100.00 100.00 4.00e-34 . . . . 17407 1 10 no EMBL CAA39026 . "Hox-3.2 [Mus musculus]" . . . . . 100.00 260 100.00 100.00 3.40e-35 . . . . 17407 1 11 no EMBL CAJ82440 . "homeo box C9 [Xenopus (Silurana) tropicalis]" . . . . . 100.00 100 100.00 100.00 4.85e-34 . . . . 17407 1 12 no EMBL CBL59361 . "HoxD9 [Scyliorhinus canicula]" . . . . . 100.00 262 98.33 100.00 4.74e-33 . . . . 17407 1 13 no EMBL CDQ56636 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 100.00 259 100.00 100.00 3.79e-32 . . . . 17407 1 14 no GB AAA37856 . "Hox-3.2 protein, partial [Mus musculus]" . . . . . 100.00 74 100.00 100.00 4.00e-34 . . . . 17407 1 15 no GB AAB04756 . "Hoxc-9, partial [Ovis aries]" . . . . . 100.00 96 100.00 100.00 3.54e-34 . . . . 17407 1 16 no GB AAB68680 . "homeobox protein HOXC-9 [Takifugu rubripes]" . . . . . 100.00 261 98.33 100.00 6.73e-33 . . . . 17407 1 17 no GB AAD15960 . "homeobox protein [Danio rerio]" . . . . . 100.00 260 100.00 100.00 1.67e-32 . . . . 17407 1 18 no GB AAF44633 . "HoxD9 [Heterodontus francisci]" . . . . . 100.00 265 98.33 100.00 6.39e-32 . . . . 17407 1 19 no PIR C45187 . "homeotic protein Ghox 4.7 - chicken (fragment) [Gallus gallus]" . . . . . 61.67 37 97.30 100.00 9.20e-16 . . . . 17407 1 20 no PIR D45187 . "homeotic protein Ghox 4.7 - chicken (fragment) [Gallus gallus]" . . . . . 61.67 37 100.00 100.00 2.61e-16 . . . . 17407 1 21 no REF NP_001017256 . "homeobox C9 [Xenopus (Silurana) tropicalis]" . . . . . 100.00 100 100.00 100.00 4.85e-34 . . . . 17407 1 22 no REF NP_001094377 . "homeobox protein Hox-C9 [Rattus norvegicus]" . . . . . 100.00 260 100.00 100.00 3.40e-35 . . . . 17407 1 23 no REF NP_001133005 . "homeobox protein HoxC9ab [Salmo salar]" . . . . . 100.00 262 98.33 100.00 1.42e-31 . . . . 17407 1 24 no REF NP_001133012 . "homeobox protein HoxC9ba [Salmo salar]" . . . . . 100.00 261 98.33 98.33 6.05e-33 . . . . 17407 1 25 no REF NP_001133018 . "homeobox protein HoxC9bb [Salmo salar]" . . . . . 100.00 261 100.00 100.00 2.28e-32 . . . . 17407 1 26 no SP O42502 . "RecName: Full=Homeobox protein Hox-C9a; AltName: Full=FrHOXC-9" . . . . . 100.00 261 98.33 100.00 6.73e-33 . . . . 17407 1 27 no SP P09633 . "RecName: Full=Homeobox protein Hox-C9; AltName: Full=Homeobox protein Hox-3.2" . . . . . 100.00 260 100.00 100.00 3.40e-35 . . . . 17407 1 28 no SP P31274 . "RecName: Full=Homeobox protein Hox-C9; AltName: Full=Homeobox protein Hox-3B" . . . . . 100.00 260 100.00 100.00 4.78e-35 . . . . 17407 1 29 no SP Q28601 . "RecName: Full=Homeobox protein Hox-C9" . . . . . 100.00 96 100.00 100.00 3.54e-34 . . . . 17407 1 30 no SP Q9IA13 . "RecName: Full=Homeobox protein Hox-D9" . . . . . 100.00 265 98.33 100.00 6.39e-32 . . . . 17407 1 31 no TPG DAA30041 . "TPA: homeobox C9-like [Bos taurus]" . . . . . 100.00 260 100.00 100.00 3.40e-35 . . . . 17407 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 17 THR . 17407 1 2 18 ARG . 17407 1 3 19 LYS . 17407 1 4 20 LYS . 17407 1 5 21 ARG . 17407 1 6 22 CYS . 17407 1 7 23 PRO . 17407 1 8 24 TYR . 17407 1 9 25 THR . 17407 1 10 26 LYS . 17407 1 11 27 TYR . 17407 1 12 28 GLN . 17407 1 13 29 THR . 17407 1 14 30 LEU . 17407 1 15 31 GLU . 17407 1 16 32 LEU . 17407 1 17 33 GLU . 17407 1 18 34 LYS . 17407 1 19 35 GLU . 17407 1 20 36 PHE . 17407 1 21 37 LEU . 17407 1 22 38 PHE . 17407 1 23 39 ASN . 17407 1 24 40 MET . 17407 1 25 41 TYR . 17407 1 26 42 LEU . 17407 1 27 43 THR . 17407 1 28 44 ARG . 17407 1 29 45 ASP . 17407 1 30 46 ARG . 17407 1 31 47 ARG . 17407 1 32 48 TYR . 17407 1 33 49 GLU . 17407 1 34 50 VAL . 17407 1 35 51 ALA . 17407 1 36 52 ARG . 17407 1 37 53 VAL . 17407 1 38 54 LEU . 17407 1 39 55 ASN . 17407 1 40 56 LEU . 17407 1 41 57 THR . 17407 1 42 58 GLU . 17407 1 43 59 ARG . 17407 1 44 60 GLN . 17407 1 45 61 VAL . 17407 1 46 62 LYS . 17407 1 47 63 ILE . 17407 1 48 64 TRP . 17407 1 49 65 PHE . 17407 1 50 66 GLN . 17407 1 51 67 ASN . 17407 1 52 68 ARG . 17407 1 53 69 ARG . 17407 1 54 70 MET . 17407 1 55 71 LYS . 17407 1 56 72 MET . 17407 1 57 73 LYS . 17407 1 58 74 LYS . 17407 1 59 75 MET . 17407 1 60 76 ASN . 17407 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 . THR 1 1 17407 1 . ARG 2 2 17407 1 . LYS 3 3 17407 1 . LYS 4 4 17407 1 . ARG 5 5 17407 1 . CYS 6 6 17407 1 . PRO 7 7 17407 1 . TYR 8 8 17407 1 . THR 9 9 17407 1 . LYS 10 10 17407 1 . TYR 11 11 17407 1 . GLN 12 12 17407 1 . THR 13 13 17407 1 . LEU 14 14 17407 1 . GLU 15 15 17407 1 . LEU 16 16 17407 1 . GLU 17 17 17407 1 . LYS 18 18 17407 1 . GLU 19 19 17407 1 . PHE 20 20 17407 1 . LEU 21 21 17407 1 . PHE 22 22 17407 1 . ASN 23 23 17407 1 . MET 24 24 17407 1 . TYR 25 25 17407 1 . LEU 26 26 17407 1 . THR 27 27 17407 1 . ARG 28 28 17407 1 . ASP 29 29 17407 1 . ARG 30 30 17407 1 . ARG 31 31 17407 1 . TYR 32 32 17407 1 . GLU 33 33 17407 1 . VAL 34 34 17407 1 . ALA 35 35 17407 1 . ARG 36 36 17407 1 . VAL 37 37 17407 1 . LEU 38 38 17407 1 . ASN 39 39 17407 1 . LEU 40 40 17407 1 . THR 41 41 17407 1 . GLU 42 42 17407 1 . ARG 43 43 17407 1 . GLN 44 44 17407 1 . VAL 45 45 17407 1 . LYS 46 46 17407 1 . ILE 47 47 17407 1 . TRP 48 48 17407 1 . PHE 49 49 17407 1 . GLN 50 50 17407 1 . ASN 51 51 17407 1 . ARG 52 52 17407 1 . ARG 53 53 17407 1 . MET 54 54 17407 1 . LYS 55 55 17407 1 . MET 56 56 17407 1 . LYS 57 57 17407 1 . LYS 58 58 17407 1 . MET 59 59 17407 1 . ASN 60 60 17407 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 17407 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; NQEFDSEEETVEDSLVEDSE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 20 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2330.259 _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 2LP0 . "The Solution Structure Of Homeodomain-Protein Complex" . . . . . 100.00 20 100.00 100.00 4.79e-02 . . . . 17407 2 2 no PDB 2WVR . "Human Cdt1:geminin Complex" . . . . . 100.00 209 100.00 100.00 4.25e-02 . . . . 17407 2 3 no DBJ BAD96712 . "geminin variant [Homo sapiens]" . . . . . 100.00 208 100.00 100.00 4.49e-02 . . . . 17407 2 4 no DBJ BAG51040 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 209 100.00 100.00 4.21e-02 . . . . 17407 2 5 no DBJ BAI46867 . "geminin, DNA replication inhibitor [synthetic construct]" . . . . . 100.00 209 100.00 100.00 4.25e-02 . . . . 17407 2 6 no GB AAC39787 . "geminin [Homo sapiens]" . . . . . 100.00 209 100.00 100.00 4.25e-02 . . . . 17407 2 7 no GB AAH05185 . "Geminin, DNA replication inhibitor [Homo sapiens]" . . . . . 100.00 209 100.00 100.00 4.25e-02 . . . . 17407 2 8 no GB AAH05389 . "Geminin, DNA replication inhibitor [Homo sapiens]" . . . . . 100.00 209 100.00 100.00 4.25e-02 . . . . 17407 2 9 no GB ADQ32794 . "geminin, DNA replication inhibitor [synthetic construct]" . . . . . 100.00 209 100.00 100.00 4.25e-02 . . . . 17407 2 10 no GB AIC51377 . "GMNN, partial [synthetic construct]" . . . . . 100.00 209 100.00 100.00 4.25e-02 . . . . 17407 2 11 no REF NP_001238918 . "geminin [Homo sapiens]" . . . . . 100.00 209 100.00 100.00 4.25e-02 . . . . 17407 2 12 no REF NP_001238919 . "geminin [Homo sapiens]" . . . . . 100.00 209 100.00 100.00 4.25e-02 . . . . 17407 2 13 no REF NP_001238920 . "geminin [Homo sapiens]" . . . . . 100.00 209 100.00 100.00 4.25e-02 . . . . 17407 2 14 no REF NP_056979 . "geminin [Homo sapiens]" . . . . . 100.00 209 100.00 100.00 4.25e-02 . . . . 17407 2 15 no REF XP_001171903 . "PREDICTED: geminin [Pan troglodytes]" . . . . . 100.00 209 100.00 100.00 4.56e-02 . . . . 17407 2 16 no SP O75496 . "RecName: Full=Geminin [Homo sapiens]" . . . . . 100.00 209 100.00 100.00 4.25e-02 . . . . 17407 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 1 171 ASN . 17407 2 2 172 GLN . 17407 2 3 173 GLU . 17407 2 4 174 PHE . 17407 2 5 175 ASP . 17407 2 6 176 SER . 17407 2 7 177 GLU . 17407 2 8 178 GLU . 17407 2 9 179 GLU . 17407 2 10 180 THR . 17407 2 11 181 VAL . 17407 2 12 182 GLU . 17407 2 13 183 ASP . 17407 2 14 184 SER . 17407 2 15 185 LEU . 17407 2 16 186 VAL . 17407 2 17 187 GLU . 17407 2 18 188 ASP . 17407 2 19 189 SER . 17407 2 20 190 GLU . 17407 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 . ASN 1 1 17407 2 . GLN 2 2 17407 2 . GLU 3 3 17407 2 . PHE 4 4 17407 2 . ASP 5 5 17407 2 . SER 6 6 17407 2 . GLU 7 7 17407 2 . GLU 8 8 17407 2 . GLU 9 9 17407 2 . THR 10 10 17407 2 . VAL 11 11 17407 2 . GLU 12 12 17407 2 . ASP 13 13 17407 2 . SER 14 14 17407 2 . LEU 15 15 17407 2 . VAL 16 16 17407 2 . GLU 17 17 17407 2 . ASP 18 18 17407 2 . SER 19 19 17407 2 . GLU 20 20 17407 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 17407 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17407 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17407 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 17407 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet32 . . . . . . 17407 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet32 . . . . . . 17407 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17407 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 17407 1 2 entity_2 'natural abundance' . . 2 $entity_2 . . 1.0 . . mM . . . . 17407 1 3 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17407 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17407 1 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17407 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17407 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17407 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17407 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity_1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.80 . . mM . . . . 17407 2 2 entity_2 'natural abundance' . . 2 $entity_2 . . 1.0 . . mM . . . . 17407 2 3 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17407 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17407 2 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17407 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17407 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17407 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_2 '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 0.8 . . mM . . . . 17407 3 2 entity_1 'natural abundance' . . 1 $entity_1 . . 1.0 . . mM . . . . 17407 3 3 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17407 3 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17407 3 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17407 3 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17407 3 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17407 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 17407 _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' 0.125 . M 17407 1 pH 6.5 . pH 17407 1 pressure 1 . atm 17407 1 temperature 296 . K 17407 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17407 _Software.ID 1 _Software.Name VNMRJ _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17407 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17407 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17407 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17407 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17407 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17407 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17407 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17407 3 'data analysis' 17407 3 'peak picking' 17407 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17407 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17407 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17407 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17407 _Software.ID 5 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17407 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17407 5 'structure solution' 17407 5 stop_ save_ save_HADDOCK _Software.Sf_category software _Software.Sf_framecode HADDOCK _Software.Entry_ID 17407 _Software.ID 6 _Software.Name HADDOCK _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Alexandre Bonvin, Utrecht University' ; Bijvoet Center for Biomolecular Research Padualaan 8, 3584 CH Utrecht, the Netherlands ; . 17407 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17407 6 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 17407 _Software.ID 7 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 17407 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17407 7 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 17407 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17407 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 17407 _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 INOVA . 750 . . . 17407 1 2 spectrometer_2 Varian INOVA . 500 . . . 17407 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 17407 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17407 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17407 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17407 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17407 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17407 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17407 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17407 1 8 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17407 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17407 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17407 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17407 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17407 1 13 '3D 13C-filtered 13C-edited NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17407 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17407 1 15 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17407 1 16 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17407 1 17 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17407 1 18 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17407 1 19 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17407 1 20 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17407 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 17407 _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 . indirect 0.251449530 . . . . . . . . . 17407 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17407 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17407 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 17407 _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 '2D 1H-15N HSQC' . . . 17407 1 2 '2D 1H-13C HSQC' . . . 17407 1 3 '3D HNCO' . . . 17407 1 9 '3D HCCH-TOCSY' . . . 17407 1 11 '3D 1H-15N NOESY' . . . 17407 1 12 '3D 1H-13C NOESY aliphatic' . . . 17407 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 THR HA H 1 4.354 0.020 . 1 . . . A 17 THR HA . 17407 1 2 . 1 1 1 1 THR HB H 1 4.259 0.020 . 1 . . . A 17 THR HB . 17407 1 3 . 1 1 1 1 THR HG21 H 1 1.192 0.020 . 1 . . . A 17 THR HG21 . 17407 1 4 . 1 1 1 1 THR HG22 H 1 1.192 0.020 . 1 . . . A 17 THR HG22 . 17407 1 5 . 1 1 1 1 THR HG23 H 1 1.192 0.020 . 1 . . . A 17 THR HG23 . 17407 1 6 . 1 1 1 1 THR H H 1 8.180 0.020 . 1 . . . A 17 THR H1 . 17407 1 7 . 1 1 1 1 THR C C 13 174.500 0.400 . 1 . . . A 17 THR C . 17407 1 8 . 1 1 1 1 THR CA C 13 61.889 0.400 . 1 . . . A 17 THR CA . 17407 1 9 . 1 1 1 1 THR CB C 13 69.780 0.400 . 1 . . . A 17 THR CB . 17407 1 10 . 1 1 1 1 THR CG2 C 13 21.736 0.400 . 1 . . . A 17 THR CG2 . 17407 1 11 . 1 1 1 1 THR N N 15 115.744 0.400 . 1 . . . A 17 THR N . 17407 1 12 . 1 1 2 2 ARG H H 1 8.243 0.020 . 1 . . . A 18 ARG H . 17407 1 13 . 1 1 2 2 ARG HA H 1 4.343 0.020 . 1 . . . A 18 ARG HA . 17407 1 14 . 1 1 2 2 ARG C C 13 176.172 0.400 . 1 . . . A 18 ARG C . 17407 1 15 . 1 1 2 2 ARG CA C 13 56.323 0.400 . 1 . . . A 18 ARG CA . 17407 1 16 . 1 1 2 2 ARG CB C 13 30.921 0.400 . 1 . . . A 18 ARG CB . 17407 1 17 . 1 1 2 2 ARG CG C 13 26.992 0.400 . 1 . . . A 18 ARG CG . 17407 1 18 . 1 1 2 2 ARG HB2 H 1 1.833 0.020 . 2 . . . A 18 ARG HB2 . 17407 1 19 . 1 1 2 2 ARG HB3 H 1 1.731 0.020 . 2 . . . A 18 ARG HB3 . 17407 1 20 . 1 1 2 2 ARG HG2 H 1 1.605 0.020 . 2 . . . A 18 ARG HG2 . 17407 1 21 . 1 1 2 2 ARG HG3 H 1 1.605 0.020 . 2 . . . A 18 ARG HG3 . 17407 1 22 . 1 1 2 2 ARG HD2 H 1 3.140 0.020 . 2 . . . A 18 ARG HD2 . 17407 1 23 . 1 1 2 2 ARG HD3 H 1 3.140 0.020 . 2 . . . A 18 ARG HD3 . 17407 1 24 . 1 1 2 2 ARG N N 15 123.283 0.400 . 1 . . . A 18 ARG N . 17407 1 25 . 1 1 3 3 LYS H H 1 8.357 0.020 . 1 . . . A 19 LYS H . 17407 1 26 . 1 1 3 3 LYS HA H 1 4.300 0.020 . 1 . . . A 19 LYS HA . 17407 1 27 . 1 1 3 3 LYS C C 13 176.332 0.400 . 1 . . . A 19 LYS C . 17407 1 28 . 1 1 3 3 LYS CA C 13 56.432 0.400 . 1 . . . A 19 LYS CA . 17407 1 29 . 1 1 3 3 LYS N N 15 122.807 0.400 . 1 . . . A 19 LYS N . 17407 1 30 . 1 1 3 3 LYS HB2 H 1 1.726 0.020 . 2 . . . A 19 LYS HB2 . 17407 1 31 . 1 1 3 3 LYS HB3 H 1 1.726 0.020 . 2 . . . A 19 LYS HB3 . 17407 1 32 . 1 1 3 3 LYS HG2 H 1 1.418 0.020 . 2 . . . A 19 LYS HG2 . 17407 1 33 . 1 1 3 3 LYS HG3 H 1 1.418 0.020 . 2 . . . A 19 LYS HG3 . 17407 1 34 . 1 1 3 3 LYS HD2 H 1 1.636 0.020 . 2 . . . A 19 LYS HD2 . 17407 1 35 . 1 1 3 3 LYS HD3 H 1 1.636 0.020 . 2 . . . A 19 LYS HD3 . 17407 1 36 . 1 1 3 3 LYS HE2 H 1 2.962 0.020 . 2 . . . A 19 LYS HE2 . 17407 1 37 . 1 1 3 3 LYS HE3 H 1 2.962 0.020 . 2 . . . A 19 LYS HE3 . 17407 1 38 . 1 1 4 4 LYS H H 1 8.373 0.020 . 1 . . . A 20 LYS H . 17407 1 39 . 1 1 4 4 LYS HA H 1 4.301 0.020 . 1 . . . A 20 LYS HA . 17407 1 40 . 1 1 4 4 LYS C C 13 176.289 0.400 . 1 . . . A 20 LYS C . 17407 1 41 . 1 1 4 4 LYS N N 15 122.942 0.400 . 1 . . . A 20 LYS N . 17407 1 42 . 1 1 4 4 LYS HG2 H 1 1.426 0.020 . 2 . . . A 20 LYS HG2 . 17407 1 43 . 1 1 4 4 LYS HG3 H 1 1.426 0.020 . 2 . . . A 20 LYS HG3 . 17407 1 44 . 1 1 5 5 ARG H H 1 8.453 0.020 . 1 . . . A 21 ARG H . 17407 1 45 . 1 1 5 5 ARG HA H 1 4.305 0.020 . 1 . . . A 21 ARG HA . 17407 1 46 . 1 1 5 5 ARG C C 13 175.654 0.400 . 1 . . . A 21 ARG C . 17407 1 47 . 1 1 5 5 ARG CA C 13 56.064 0.400 . 1 . . . A 21 ARG CA . 17407 1 48 . 1 1 5 5 ARG CB C 13 31.102 0.400 . 1 . . . A 21 ARG CB . 17407 1 49 . 1 1 5 5 ARG N N 15 122.849 0.400 . 1 . . . A 21 ARG N . 17407 1 50 . 1 1 5 5 ARG HB2 H 1 1.742 0.020 . 2 . . . A 21 ARG HB2 . 17407 1 51 . 1 1 5 5 ARG HB3 H 1 1.742 0.020 . 2 . . . A 21 ARG HB3 . 17407 1 52 . 1 1 5 5 ARG HG2 H 1 1.576 0.020 . 2 . . . A 21 ARG HG2 . 17407 1 53 . 1 1 5 5 ARG HG3 H 1 1.576 0.020 . 2 . . . A 21 ARG HG3 . 17407 1 54 . 1 1 6 6 CYS H H 1 8.585 0.020 . 1 . . . A 22 CYS H . 17407 1 55 . 1 1 6 6 CYS HA H 1 4.583 0.020 . 1 . . . A 22 CYS HA . 17407 1 56 . 1 1 6 6 CYS CA C 13 56.290 0.400 . 1 . . . A 22 CYS CA . 17407 1 57 . 1 1 6 6 CYS CB C 13 27.907 0.400 . 1 . . . A 22 CYS CB . 17407 1 58 . 1 1 6 6 CYS N N 15 123.423 0.400 . 1 . . . A 22 CYS N . 17407 1 59 . 1 1 6 6 CYS HB2 H 1 2.860 0.020 . 2 . . . A 22 CYS HB2 . 17407 1 60 . 1 1 6 6 CYS HB3 H 1 2.860 0.020 . 2 . . . A 22 CYS HB3 . 17407 1 61 . 1 1 7 7 PRO HA H 1 4.382 0.020 . 1 . . . A 23 PRO HA . 17407 1 62 . 1 1 7 7 PRO C C 13 175.747 0.400 . 1 . . . A 23 PRO C . 17407 1 63 . 1 1 7 7 PRO CA C 13 63.521 0.400 . 1 . . . A 23 PRO CA . 17407 1 64 . 1 1 7 7 PRO CB C 13 31.947 0.400 . 1 . . . A 23 PRO CB . 17407 1 65 . 1 1 7 7 PRO HB2 H 1 2.040 0.020 . 2 . . . A 23 PRO HB2 . 17407 1 66 . 1 1 7 7 PRO HB3 H 1 1.628 0.020 . 2 . . . A 23 PRO HB3 . 17407 1 67 . 1 1 7 7 PRO HD2 H 1 3.682 0.020 . 2 . . . A 23 PRO HD2 . 17407 1 68 . 1 1 7 7 PRO HD3 H 1 3.682 0.020 . 2 . . . A 23 PRO HD3 . 17407 1 69 . 1 1 8 8 TYR H H 1 7.563 0.020 . 1 . . . A 24 TYR H . 17407 1 70 . 1 1 8 8 TYR HA H 1 4.892 0.020 . 1 . . . A 24 TYR HA . 17407 1 71 . 1 1 8 8 TYR HD1 H 1 7.018 0.020 . 3 . . . A 24 TYR HD1 . 17407 1 72 . 1 1 8 8 TYR HD2 H 1 7.018 0.020 . 3 . . . A 24 TYR HD2 . 17407 1 73 . 1 1 8 8 TYR HE1 H 1 6.755 0.020 . 3 . . . A 24 TYR HE1 . 17407 1 74 . 1 1 8 8 TYR HE2 H 1 6.755 0.020 . 3 . . . A 24 TYR HE2 . 17407 1 75 . 1 1 8 8 TYR C C 13 176.886 0.400 . 1 . . . A 24 TYR C . 17407 1 76 . 1 1 8 8 TYR CA C 13 56.647 0.400 . 1 . . . A 24 TYR CA . 17407 1 77 . 1 1 8 8 TYR CB C 13 39.956 0.400 . 1 . . . A 24 TYR CB . 17407 1 78 . 1 1 8 8 TYR CD1 C 13 133.774 0.400 . 3 . . . A 24 TYR CD1 . 17407 1 79 . 1 1 8 8 TYR CE1 C 13 118.206 0.400 . 3 . . . A 24 TYR CE1 . 17407 1 80 . 1 1 8 8 TYR N N 15 117.766 0.400 . 1 . . . A 24 TYR N . 17407 1 81 . 1 1 8 8 TYR HB2 H 1 3.045 0.020 . 2 . . . A 24 TYR HB2 . 17407 1 82 . 1 1 8 8 TYR HB3 H 1 2.729 0.020 . 2 . . . A 24 TYR HB3 . 17407 1 83 . 1 1 9 9 THR H H 1 9.299 0.020 . 1 . . . A 25 THR H . 17407 1 84 . 1 1 9 9 THR HA H 1 4.489 0.020 . 1 . . . A 25 THR HA . 17407 1 85 . 1 1 9 9 THR HB H 1 4.845 0.020 . 1 . . . A 25 THR HB . 17407 1 86 . 1 1 9 9 THR HG21 H 1 1.368 0.020 . 1 . . . A 25 THR HG21 . 17407 1 87 . 1 1 9 9 THR HG22 H 1 1.368 0.020 . 1 . . . A 25 THR HG22 . 17407 1 88 . 1 1 9 9 THR HG23 H 1 1.368 0.020 . 1 . . . A 25 THR HG23 . 17407 1 89 . 1 1 9 9 THR C C 13 175.656 0.400 . 1 . . . A 25 THR C . 17407 1 90 . 1 1 9 9 THR CA C 13 60.913 0.400 . 1 . . . A 25 THR CA . 17407 1 91 . 1 1 9 9 THR CB C 13 71.232 0.400 . 1 . . . A 25 THR CB . 17407 1 92 . 1 1 9 9 THR CG2 C 13 21.910 0.400 . 1 . . . A 25 THR CG2 . 17407 1 93 . 1 1 9 9 THR N N 15 115.089 0.400 . 1 . . . A 25 THR N . 17407 1 94 . 1 1 10 10 LYS H H 1 9.029 0.020 . 1 . . . A 26 LYS H . 17407 1 95 . 1 1 10 10 LYS HA H 1 4.090 0.020 . 1 . . . A 26 LYS HA . 17407 1 96 . 1 1 10 10 LYS C C 13 178.425 0.400 . 1 . . . A 26 LYS C . 17407 1 97 . 1 1 10 10 LYS CA C 13 60.032 0.400 . 1 . . . A 26 LYS CA . 17407 1 98 . 1 1 10 10 LYS CB C 13 32.894 0.400 . 1 . . . A 26 LYS CB . 17407 1 99 . 1 1 10 10 LYS N N 15 123.297 0.400 . 1 . . . A 26 LYS N . 17407 1 100 . 1 1 10 10 LYS HB2 H 1 1.898 0.020 . 2 . . . A 26 LYS HB2 . 17407 1 101 . 1 1 10 10 LYS HB3 H 1 1.898 0.020 . 2 . . . A 26 LYS HB3 . 17407 1 102 . 1 1 10 10 LYS HE2 H 1 2.995 0.020 . 2 . . . A 26 LYS HE2 . 17407 1 103 . 1 1 10 10 LYS HE3 H 1 2.995 0.020 . 2 . . . A 26 LYS HE3 . 17407 1 104 . 1 1 11 11 TYR H H 1 8.357 0.020 . 1 . . . A 27 TYR H . 17407 1 105 . 1 1 11 11 TYR HA H 1 4.166 0.020 . 1 . . . A 27 TYR HA . 17407 1 106 . 1 1 11 11 TYR HD1 H 1 7.064 0.020 . 3 . . . A 27 TYR HD1 . 17407 1 107 . 1 1 11 11 TYR HD2 H 1 7.064 0.020 . 3 . . . A 27 TYR HD2 . 17407 1 108 . 1 1 11 11 TYR HE1 H 1 6.760 0.020 . 3 . . . A 27 TYR HE1 . 17407 1 109 . 1 1 11 11 TYR HE2 H 1 6.760 0.020 . 3 . . . A 27 TYR HE2 . 17407 1 110 . 1 1 11 11 TYR C C 13 177.001 0.400 . 1 . . . A 27 TYR C . 17407 1 111 . 1 1 11 11 TYR CA C 13 61.525 0.400 . 1 . . . A 27 TYR CA . 17407 1 112 . 1 1 11 11 TYR CB C 13 38.745 0.400 . 1 . . . A 27 TYR CB . 17407 1 113 . 1 1 11 11 TYR CD1 C 13 133.434 0.400 . 3 . . . A 27 TYR CD1 . 17407 1 114 . 1 1 11 11 TYR CE1 C 13 118.521 0.400 . 3 . . . A 27 TYR CE1 . 17407 1 115 . 1 1 11 11 TYR N N 15 118.419 0.400 . 1 . . . A 27 TYR N . 17407 1 116 . 1 1 11 11 TYR HB2 H 1 3.235 0.020 . 2 . . . A 27 TYR HB2 . 17407 1 117 . 1 1 11 11 TYR HB3 H 1 2.788 0.020 . 2 . . . A 27 TYR HB3 . 17407 1 118 . 1 1 12 12 GLN H H 1 7.771 0.020 . 1 . . . A 28 GLN H . 17407 1 119 . 1 1 12 12 GLN HA H 1 3.529 0.020 . 1 . . . A 28 GLN HA . 17407 1 120 . 1 1 12 12 GLN C C 13 177.481 0.400 . 1 . . . A 28 GLN C . 17407 1 121 . 1 1 12 12 GLN CA C 13 59.406 0.400 . 1 . . . A 28 GLN CA . 17407 1 122 . 1 1 12 12 GLN N N 15 116.194 0.400 . 1 . . . A 28 GLN N . 17407 1 123 . 1 1 12 12 GLN HB2 H 1 2.620 0.020 . 2 . . . A 28 GLN HB2 . 17407 1 124 . 1 1 12 12 GLN HB3 H 1 1.595 0.020 . 2 . . . A 28 GLN HB3 . 17407 1 125 . 1 1 12 12 GLN HG2 H 1 2.738 0.020 . 2 . . . A 28 GLN HG2 . 17407 1 126 . 1 1 12 12 GLN HG3 H 1 2.738 0.020 . 2 . . . A 28 GLN HG3 . 17407 1 127 . 1 1 13 13 THR H H 1 8.497 0.020 . 1 . . . A 29 THR H . 17407 1 128 . 1 1 13 13 THR HA H 1 3.404 0.020 . 1 . . . A 29 THR HA . 17407 1 129 . 1 1 13 13 THR HB H 1 4.321 0.020 . 1 . . . A 29 THR HB . 17407 1 130 . 1 1 13 13 THR HG21 H 1 1.325 0.020 . 1 . . . A 29 THR HG21 . 17407 1 131 . 1 1 13 13 THR HG22 H 1 1.325 0.020 . 1 . . . A 29 THR HG22 . 17407 1 132 . 1 1 13 13 THR HG23 H 1 1.325 0.020 . 1 . . . A 29 THR HG23 . 17407 1 133 . 1 1 13 13 THR C C 13 175.604 0.400 . 1 . . . A 29 THR C . 17407 1 134 . 1 1 13 13 THR CA C 13 67.361 0.400 . 1 . . . A 29 THR CA . 17407 1 135 . 1 1 13 13 THR CB C 13 68.509 0.400 . 1 . . . A 29 THR CB . 17407 1 136 . 1 1 13 13 THR CG2 C 13 22.465 0.400 . 1 . . . A 29 THR CG2 . 17407 1 137 . 1 1 13 13 THR N N 15 113.053 0.400 . 1 . . . A 29 THR N . 17407 1 138 . 1 1 14 14 LEU H H 1 8.063 0.020 . 1 . . . A 30 LEU H . 17407 1 139 . 1 1 14 14 LEU HA H 1 3.981 0.020 . 1 . . . A 30 LEU HA . 17407 1 140 . 1 1 14 14 LEU HG H 1 1.768 0.020 . 1 . . . A 30 LEU HG . 17407 1 141 . 1 1 14 14 LEU C C 13 180.426 0.400 . 1 . . . A 30 LEU C . 17407 1 142 . 1 1 14 14 LEU CA C 13 58.239 0.400 . 1 . . . A 30 LEU CA . 17407 1 143 . 1 1 14 14 LEU CB C 13 41.896 0.400 . 1 . . . A 30 LEU CB . 17407 1 144 . 1 1 14 14 LEU CG C 13 27.020 0.400 . 1 . . . A 30 LEU CG . 17407 1 145 . 1 1 14 14 LEU CD1 C 13 25.405 0.400 . 2 . . . A 30 LEU CD1 . 17407 1 146 . 1 1 14 14 LEU N N 15 121.679 0.400 . 1 . . . A 30 LEU N . 17407 1 147 . 1 1 14 14 LEU HB2 H 1 1.890 0.020 . 2 . . . A 30 LEU HB2 . 17407 1 148 . 1 1 14 14 LEU HB3 H 1 1.498 0.020 . 2 . . . A 30 LEU HB3 . 17407 1 149 . 1 1 14 14 LEU HD11 H 1 0.898 0.020 . 2 . . . A 30 LEU HD11 . 17407 1 150 . 1 1 14 14 LEU HD12 H 1 0.898 0.020 . 2 . . . A 30 LEU HD12 . 17407 1 151 . 1 1 14 14 LEU HD13 H 1 0.898 0.020 . 2 . . . A 30 LEU HD13 . 17407 1 152 . 1 1 14 14 LEU HD21 H 1 0.898 0.020 . 2 . . . A 30 LEU HD21 . 17407 1 153 . 1 1 14 14 LEU HD22 H 1 0.898 0.020 . 2 . . . A 30 LEU HD22 . 17407 1 154 . 1 1 14 14 LEU HD23 H 1 0.898 0.020 . 2 . . . A 30 LEU HD23 . 17407 1 155 . 1 1 15 15 GLU H H 1 7.720 0.020 . 1 . . . A 31 GLU H . 17407 1 156 . 1 1 15 15 GLU HA H 1 3.833 0.020 . 1 . . . A 31 GLU HA . 17407 1 157 . 1 1 15 15 GLU C C 13 179.932 0.400 . 1 . . . A 31 GLU C . 17407 1 158 . 1 1 15 15 GLU CA C 13 58.447 0.400 . 1 . . . A 31 GLU CA . 17407 1 159 . 1 1 15 15 GLU CB C 13 30.433 0.400 . 1 . . . A 31 GLU CB . 17407 1 160 . 1 1 15 15 GLU N N 15 118.531 0.400 . 1 . . . A 31 GLU N . 17407 1 161 . 1 1 15 15 GLU HB2 H 1 1.909 0.020 . 2 . . . A 31 GLU HB2 . 17407 1 162 . 1 1 15 15 GLU HB3 H 1 1.679 0.020 . 2 . . . A 31 GLU HB3 . 17407 1 163 . 1 1 15 15 GLU HG2 H 1 1.701 0.020 . 2 . . . A 31 GLU HG2 . 17407 1 164 . 1 1 15 15 GLU HG3 H 1 1.701 0.020 . 2 . . . A 31 GLU HG3 . 17407 1 165 . 1 1 16 16 LEU H H 1 8.358 0.020 . 1 . . . A 32 LEU H . 17407 1 166 . 1 1 16 16 LEU HA H 1 3.515 0.020 . 1 . . . A 32 LEU HA . 17407 1 167 . 1 1 16 16 LEU HG H 1 1.096 0.020 . 1 . . . A 32 LEU HG . 17407 1 168 . 1 1 16 16 LEU C C 13 177.679 0.400 . 1 . . . A 32 LEU C . 17407 1 169 . 1 1 16 16 LEU CA C 13 58.335 0.400 . 1 . . . A 32 LEU CA . 17407 1 170 . 1 1 16 16 LEU CD1 C 13 23.424 0.400 . 2 . . . A 32 LEU CD1 . 17407 1 171 . 1 1 16 16 LEU CD2 C 13 23.437 0.400 . 2 . . . A 32 LEU CD2 . 17407 1 172 . 1 1 16 16 LEU N N 15 124.369 0.400 . 1 . . . A 32 LEU N . 17407 1 173 . 1 1 16 16 LEU HB2 H 1 0.440 0.020 . 2 . . . A 32 LEU HB2 . 17407 1 174 . 1 1 16 16 LEU HB3 H 1 -1.024 0.020 . 2 . . . A 32 LEU HB3 . 17407 1 175 . 1 1 16 16 LEU HD11 H 1 -0.528 0.020 . 2 . . . A 32 LEU HD11 . 17407 1 176 . 1 1 16 16 LEU HD12 H 1 -0.528 0.020 . 2 . . . A 32 LEU HD12 . 17407 1 177 . 1 1 16 16 LEU HD13 H 1 -0.528 0.020 . 2 . . . A 32 LEU HD13 . 17407 1 178 . 1 1 16 16 LEU HD21 H 1 0.466 0.020 . 2 . . . A 32 LEU HD21 . 17407 1 179 . 1 1 16 16 LEU HD22 H 1 0.466 0.020 . 2 . . . A 32 LEU HD22 . 17407 1 180 . 1 1 16 16 LEU HD23 H 1 0.466 0.020 . 2 . . . A 32 LEU HD23 . 17407 1 181 . 1 1 17 17 GLU H H 1 7.944 0.020 . 1 . . . A 33 GLU H . 17407 1 182 . 1 1 17 17 GLU HA H 1 4.264 0.020 . 1 . . . A 33 GLU HA . 17407 1 183 . 1 1 17 17 GLU C C 13 179.051 0.400 . 1 . . . A 33 GLU C . 17407 1 184 . 1 1 17 17 GLU CA C 13 59.290 0.400 . 1 . . . A 33 GLU CA . 17407 1 185 . 1 1 17 17 GLU CB C 13 28.873 0.400 . 1 . . . A 33 GLU CB . 17407 1 186 . 1 1 17 17 GLU N N 15 119.298 0.400 . 1 . . . A 33 GLU N . 17407 1 187 . 1 1 17 17 GLU HB2 H 1 2.182 0.020 . 2 . . . A 33 GLU HB2 . 17407 1 188 . 1 1 17 17 GLU HB3 H 1 1.974 0.020 . 2 . . . A 33 GLU HB3 . 17407 1 189 . 1 1 17 17 GLU HG2 H 1 2.466 0.020 . 2 . . . A 33 GLU HG2 . 17407 1 190 . 1 1 17 17 GLU HG3 H 1 2.357 0.020 . 2 . . . A 33 GLU HG3 . 17407 1 191 . 1 1 18 18 LYS H H 1 7.526 0.020 . 1 . . . A 34 LYS H . 17407 1 192 . 1 1 18 18 LYS HA H 1 3.926 0.020 . 1 . . . A 34 LYS HA . 17407 1 193 . 1 1 18 18 LYS C C 13 179.428 0.400 . 1 . . . A 34 LYS C . 17407 1 194 . 1 1 18 18 LYS CA C 13 59.900 0.400 . 1 . . . A 34 LYS CA . 17407 1 195 . 1 1 18 18 LYS CB C 13 32.621 0.400 . 1 . . . A 34 LYS CB . 17407 1 196 . 1 1 18 18 LYS N N 15 118.657 0.400 . 1 . . . A 34 LYS N . 17407 1 197 . 1 1 18 18 LYS HB2 H 1 1.882 0.020 . 2 . . . A 34 LYS HB2 . 17407 1 198 . 1 1 18 18 LYS HB3 H 1 1.882 0.020 . 2 . . . A 34 LYS HB3 . 17407 1 199 . 1 1 18 18 LYS HG2 H 1 1.667 0.020 . 2 . . . A 34 LYS HG2 . 17407 1 200 . 1 1 18 18 LYS HG3 H 1 1.667 0.020 . 2 . . . A 34 LYS HG3 . 17407 1 201 . 1 1 18 18 LYS HD2 H 1 1.386 0.020 . 2 . . . A 34 LYS HD2 . 17407 1 202 . 1 1 18 18 LYS HD3 H 1 1.386 0.020 . 2 . . . A 34 LYS HD3 . 17407 1 203 . 1 1 19 19 GLU H H 1 7.844 0.020 . 1 . . . A 35 GLU H . 17407 1 204 . 1 1 19 19 GLU HA H 1 4.156 0.020 . 1 . . . A 35 GLU HA . 17407 1 205 . 1 1 19 19 GLU C C 13 178.242 0.400 . 1 . . . A 35 GLU C . 17407 1 206 . 1 1 19 19 GLU CA C 13 59.073 0.400 . 1 . . . A 35 GLU CA . 17407 1 207 . 1 1 19 19 GLU CB C 13 29.041 0.400 . 1 . . . A 35 GLU CB . 17407 1 208 . 1 1 19 19 GLU N N 15 120.174 0.400 . 1 . . . A 35 GLU N . 17407 1 209 . 1 1 19 19 GLU HB2 H 1 2.400 0.020 . 2 . . . A 35 GLU HB2 . 17407 1 210 . 1 1 19 19 GLU HG2 H 1 2.422 0.020 . 2 . . . A 35 GLU HG2 . 17407 1 211 . 1 1 19 19 GLU HG3 H 1 2.422 0.020 . 2 . . . A 35 GLU HG3 . 17407 1 212 . 1 1 20 20 PHE H H 1 8.923 0.020 . 1 . . . A 36 PHE H . 17407 1 213 . 1 1 20 20 PHE HA H 1 4.359 0.020 . 1 . . . A 36 PHE HA . 17407 1 214 . 1 1 20 20 PHE HD1 H 1 7.565 0.020 . 3 . . . A 36 PHE HD1 . 17407 1 215 . 1 1 20 20 PHE HD2 H 1 6.897 0.020 . 3 . . . A 36 PHE HD2 . 17407 1 216 . 1 1 20 20 PHE HE1 H 1 7.788 0.020 . 3 . . . A 36 PHE HE1 . 17407 1 217 . 1 1 20 20 PHE HE2 H 1 7.178 0.020 . 3 . . . A 36 PHE HE2 . 17407 1 218 . 1 1 20 20 PHE HZ H 1 7.040 0.020 . 1 . . . A 36 PHE HZ . 17407 1 219 . 1 1 20 20 PHE C C 13 176.132 0.400 . 1 . . . A 36 PHE C . 17407 1 220 . 1 1 20 20 PHE CA C 13 61.079 0.400 . 1 . . . A 36 PHE CA . 17407 1 221 . 1 1 20 20 PHE CB C 13 39.333 0.400 . 1 . . . A 36 PHE CB . 17407 1 222 . 1 1 20 20 PHE CD1 C 13 132.205 0.400 . 3 . . . A 36 PHE CD1 . 17407 1 223 . 1 1 20 20 PHE CD2 C 13 132.561 0.400 . 3 . . . A 36 PHE CD2 . 17407 1 224 . 1 1 20 20 PHE CE1 C 13 132.165 0.400 . 3 . . . A 36 PHE CE1 . 17407 1 225 . 1 1 20 20 PHE CE2 C 13 131.425 0.400 . 3 . . . A 36 PHE CE2 . 17407 1 226 . 1 1 20 20 PHE N N 15 122.342 0.400 . 1 . . . A 36 PHE N . 17407 1 227 . 1 1 20 20 PHE HB2 H 1 3.223 0.020 . 2 . . . A 36 PHE HB2 . 17407 1 228 . 1 1 20 20 PHE HB3 H 1 2.953 0.020 . 2 . . . A 36 PHE HB3 . 17407 1 229 . 1 1 21 21 LEU H H 1 7.925 0.020 . 1 . . . A 37 LEU H . 17407 1 230 . 1 1 21 21 LEU HA H 1 3.967 0.020 . 1 . . . A 37 LEU HA . 17407 1 231 . 1 1 21 21 LEU HG H 1 1.947 0.020 . 1 . . . A 37 LEU HG . 17407 1 232 . 1 1 21 21 LEU C C 13 179.393 0.400 . 1 . . . A 37 LEU C . 17407 1 233 . 1 1 21 21 LEU CA C 13 56.726 0.400 . 1 . . . A 37 LEU CA . 17407 1 234 . 1 1 21 21 LEU CB C 13 41.866 0.400 . 1 . . . A 37 LEU CB . 17407 1 235 . 1 1 21 21 LEU CG C 13 26.989 0.400 . 1 . . . A 37 LEU CG . 17407 1 236 . 1 1 21 21 LEU CD1 C 13 25.407 0.400 . 2 . . . A 37 LEU CD1 . 17407 1 237 . 1 1 21 21 LEU N N 15 115.690 0.400 . 1 . . . A 37 LEU N . 17407 1 238 . 1 1 21 21 LEU HB2 H 1 1.494 0.020 . 2 . . . A 37 LEU HB2 . 17407 1 239 . 1 1 21 21 LEU HB3 H 1 1.820 0.020 . 2 . . . A 37 LEU HB3 . 17407 1 240 . 1 1 21 21 LEU HD11 H 1 0.942 0.020 . 2 . . . A 37 LEU HD11 . 17407 1 241 . 1 1 21 21 LEU HD12 H 1 0.942 0.020 . 2 . . . A 37 LEU HD12 . 17407 1 242 . 1 1 21 21 LEU HD13 H 1 0.942 0.020 . 2 . . . A 37 LEU HD13 . 17407 1 243 . 1 1 21 21 LEU HD21 H 1 0.942 0.020 . 2 . . . A 37 LEU HD21 . 17407 1 244 . 1 1 21 21 LEU HD22 H 1 0.942 0.020 . 2 . . . A 37 LEU HD22 . 17407 1 245 . 1 1 21 21 LEU HD23 H 1 0.942 0.020 . 2 . . . A 37 LEU HD23 . 17407 1 246 . 1 1 22 22 PHE H H 1 7.583 0.020 . 1 . . . A 38 PHE H . 17407 1 247 . 1 1 22 22 PHE HA H 1 4.449 0.020 . 1 . . . A 38 PHE HA . 17407 1 248 . 1 1 22 22 PHE HD1 H 1 7.338 0.020 . 3 . . . A 38 PHE HD1 . 17407 1 249 . 1 1 22 22 PHE HD2 H 1 7.338 0.020 . 3 . . . A 38 PHE HD2 . 17407 1 250 . 1 1 22 22 PHE C C 13 176.471 0.400 . 1 . . . A 38 PHE C . 17407 1 251 . 1 1 22 22 PHE CA C 13 60.046 0.400 . 1 . . . A 38 PHE CA . 17407 1 252 . 1 1 22 22 PHE CB C 13 39.615 0.400 . 1 . . . A 38 PHE CB . 17407 1 253 . 1 1 22 22 PHE CD2 C 13 131.954 0.400 . 3 . . . A 38 PHE CD2 . 17407 1 254 . 1 1 22 22 PHE N N 15 119.452 0.400 . 1 . . . A 38 PHE N . 17407 1 255 . 1 1 22 22 PHE HB2 H 1 3.296 0.020 . 2 . . . A 38 PHE HB2 . 17407 1 256 . 1 1 22 22 PHE HB3 H 1 3.209 0.020 . 2 . . . A 38 PHE HB3 . 17407 1 257 . 1 1 23 23 ASN H H 1 8.377 0.020 . 1 . . . A 39 ASN H . 17407 1 258 . 1 1 23 23 ASN HA H 1 4.554 0.020 . 1 . . . A 39 ASN HA . 17407 1 259 . 1 1 23 23 ASN C C 13 173.506 0.400 . 1 . . . A 39 ASN C . 17407 1 260 . 1 1 23 23 ASN CA C 13 53.404 0.400 . 1 . . . A 39 ASN CA . 17407 1 261 . 1 1 23 23 ASN CB C 13 40.270 0.400 . 1 . . . A 39 ASN CB . 17407 1 262 . 1 1 23 23 ASN N N 15 116.501 0.400 . 1 . . . A 39 ASN N . 17407 1 263 . 1 1 23 23 ASN ND2 N 15 115.725 0.400 . 1 . . . A 39 ASN ND2 . 17407 1 264 . 1 1 23 23 ASN HB2 H 1 2.832 0.020 . 2 . . . A 39 ASN HB2 . 17407 1 265 . 1 1 23 23 ASN HB3 H 1 2.832 0.020 . 2 . . . A 39 ASN HB3 . 17407 1 266 . 1 1 23 23 ASN HD21 H 1 7.377 0.020 . 2 . . . A 39 ASN HD21 . 17407 1 267 . 1 1 23 23 ASN HD22 H 1 8.074 0.020 . 2 . . . A 39 ASN HD22 . 17407 1 268 . 1 1 24 24 MET H H 1 8.212 0.020 . 1 . . . A 40 MET H . 17407 1 269 . 1 1 24 24 MET HA H 1 3.787 0.020 . 1 . . . A 40 MET HA . 17407 1 270 . 1 1 24 24 MET C C 13 174.182 0.400 . 1 . . . A 40 MET C . 17407 1 271 . 1 1 24 24 MET CA C 13 57.448 0.400 . 1 . . . A 40 MET CA . 17407 1 272 . 1 1 24 24 MET CB C 13 33.496 0.400 . 1 . . . A 40 MET CB . 17407 1 273 . 1 1 24 24 MET CG C 13 31.599 0.400 . 1 . . . A 40 MET CG . 17407 1 274 . 1 1 24 24 MET N N 15 121.533 0.400 . 1 . . . A 40 MET N . 17407 1 275 . 1 1 24 24 MET HB2 H 1 1.656 0.020 . 2 . . . A 40 MET HB2 . 17407 1 276 . 1 1 24 24 MET HB3 H 1 1.385 0.020 . 2 . . . A 40 MET HB3 . 17407 1 277 . 1 1 24 24 MET HG2 H 1 1.978 0.020 . 2 . . . A 40 MET HG2 . 17407 1 278 . 1 1 24 24 MET HG3 H 1 1.606 0.020 . 2 . . . A 40 MET HG3 . 17407 1 279 . 1 1 25 25 TYR H H 1 7.757 0.020 . 1 . . . A 41 TYR H . 17407 1 280 . 1 1 25 25 TYR HA H 1 4.687 0.020 . 1 . . . A 41 TYR HA . 17407 1 281 . 1 1 25 25 TYR HD1 H 1 7.147 0.020 . 3 . . . A 41 TYR HD1 . 17407 1 282 . 1 1 25 25 TYR HD2 H 1 7.147 0.020 . 3 . . . A 41 TYR HD2 . 17407 1 283 . 1 1 25 25 TYR HE1 H 1 6.794 0.020 . 3 . . . A 41 TYR HE1 . 17407 1 284 . 1 1 25 25 TYR HE2 H 1 6.794 0.020 . 3 . . . A 41 TYR HE2 . 17407 1 285 . 1 1 25 25 TYR C C 13 175.097 0.400 . 1 . . . A 41 TYR C . 17407 1 286 . 1 1 25 25 TYR CA C 13 56.916 0.400 . 1 . . . A 41 TYR CA . 17407 1 287 . 1 1 25 25 TYR CB C 13 40.291 0.400 . 1 . . . A 41 TYR CB . 17407 1 288 . 1 1 25 25 TYR CD1 C 13 133.774 0.400 . 3 . . . A 41 TYR CD1 . 17407 1 289 . 1 1 25 25 TYR CE1 C 13 117.892 0.400 . 3 . . . A 41 TYR CE1 . 17407 1 290 . 1 1 25 25 TYR N N 15 115.447 0.400 . 1 . . . A 41 TYR N . 17407 1 291 . 1 1 25 25 TYR HB2 H 1 2.920 0.020 . 2 . . . A 41 TYR HB2 . 17407 1 292 . 1 1 25 25 TYR HB3 H 1 2.689 0.020 . 2 . . . A 41 TYR HB3 . 17407 1 293 . 1 1 26 26 LEU H H 1 8.331 0.020 . 1 . . . A 42 LEU H . 17407 1 294 . 1 1 26 26 LEU HA H 1 4.585 0.020 . 1 . . . A 42 LEU HA . 17407 1 295 . 1 1 26 26 LEU HG H 1 0.797 0.020 . 1 . . . A 42 LEU HG . 17407 1 296 . 1 1 26 26 LEU C C 13 178.271 0.400 . 1 . . . A 42 LEU C . 17407 1 297 . 1 1 26 26 LEU CA C 13 53.567 0.400 . 1 . . . A 42 LEU CA . 17407 1 298 . 1 1 26 26 LEU CB C 13 43.864 0.400 . 1 . . . A 42 LEU CB . 17407 1 299 . 1 1 26 26 LEU CG C 13 26.361 0.400 . 1 . . . A 42 LEU CG . 17407 1 300 . 1 1 26 26 LEU CD1 C 13 23.984 0.400 . 2 . . . A 42 LEU CD1 . 17407 1 301 . 1 1 26 26 LEU CD2 C 13 26.053 0.400 . 2 . . . A 42 LEU CD2 . 17407 1 302 . 1 1 26 26 LEU N N 15 122.453 0.400 . 1 . . . A 42 LEU N . 17407 1 303 . 1 1 26 26 LEU HB2 H 1 1.471 0.020 . 2 . . . A 42 LEU HB2 . 17407 1 304 . 1 1 26 26 LEU HB3 H 1 1.230 0.020 . 2 . . . A 42 LEU HB3 . 17407 1 305 . 1 1 26 26 LEU HD11 H 1 0.492 0.020 . 2 . . . A 42 LEU HD11 . 17407 1 306 . 1 1 26 26 LEU HD12 H 1 0.492 0.020 . 2 . . . A 42 LEU HD12 . 17407 1 307 . 1 1 26 26 LEU HD13 H 1 0.492 0.020 . 2 . . . A 42 LEU HD13 . 17407 1 308 . 1 1 26 26 LEU HD21 H 1 0.211 0.020 . 2 . . . A 42 LEU HD21 . 17407 1 309 . 1 1 26 26 LEU HD22 H 1 0.211 0.020 . 2 . . . A 42 LEU HD22 . 17407 1 310 . 1 1 26 26 LEU HD23 H 1 0.211 0.020 . 2 . . . A 42 LEU HD23 . 17407 1 311 . 1 1 27 27 THR H H 1 7.721 0.020 . 1 . . . A 43 THR H . 17407 1 312 . 1 1 27 27 THR HA H 1 4.417 0.020 . 1 . . . A 43 THR HA . 17407 1 313 . 1 1 27 27 THR HB H 1 4.692 0.020 . 1 . . . A 43 THR HB . 17407 1 314 . 1 1 27 27 THR HG21 H 1 1.360 0.020 . 1 . . . A 43 THR HG21 . 17407 1 315 . 1 1 27 27 THR HG22 H 1 1.360 0.020 . 1 . . . A 43 THR HG22 . 17407 1 316 . 1 1 27 27 THR HG23 H 1 1.360 0.020 . 1 . . . A 43 THR HG23 . 17407 1 317 . 1 1 27 27 THR C C 13 175.232 0.400 . 1 . . . A 43 THR C . 17407 1 318 . 1 1 27 27 THR CA C 13 60.657 0.400 . 1 . . . A 43 THR CA . 17407 1 319 . 1 1 27 27 THR CB C 13 70.760 0.400 . 1 . . . A 43 THR CB . 17407 1 320 . 1 1 27 27 THR CG2 C 13 22.490 0.400 . 1 . . . A 43 THR CG2 . 17407 1 321 . 1 1 27 27 THR N N 15 113.373 0.400 . 1 . . . A 43 THR N . 17407 1 322 . 1 1 28 28 ARG H H 1 9.006 0.020 . 1 . . . A 44 ARG H . 17407 1 323 . 1 1 28 28 ARG HA H 1 3.826 0.020 . 1 . . . A 44 ARG HA . 17407 1 324 . 1 1 28 28 ARG C C 13 178.623 0.400 . 1 . . . A 44 ARG C . 17407 1 325 . 1 1 28 28 ARG CA C 13 60.475 0.400 . 1 . . . A 44 ARG CA . 17407 1 326 . 1 1 28 28 ARG CB C 13 29.760 0.400 . 1 . . . A 44 ARG CB . 17407 1 327 . 1 1 28 28 ARG CG C 13 27.404 0.400 . 1 . . . A 44 ARG CG . 17407 1 328 . 1 1 28 28 ARG CD C 13 43.252 0.400 . 1 . . . A 44 ARG CD . 17407 1 329 . 1 1 28 28 ARG N N 15 122.336 0.400 . 1 . . . A 44 ARG N . 17407 1 330 . 1 1 28 28 ARG HB2 H 1 1.811 0.020 . 2 . . . A 44 ARG HB2 . 17407 1 331 . 1 1 28 28 ARG HB3 H 1 1.930 0.020 . 2 . . . A 44 ARG HB3 . 17407 1 332 . 1 1 28 28 ARG HG2 H 1 1.748 0.020 . 2 . . . A 44 ARG HG2 . 17407 1 333 . 1 1 28 28 ARG HG3 H 1 1.586 0.020 . 2 . . . A 44 ARG HG3 . 17407 1 334 . 1 1 28 28 ARG HD2 H 1 3.175 0.020 . 2 . . . A 44 ARG HD2 . 17407 1 335 . 1 1 28 28 ARG HD3 H 1 3.175 0.020 . 2 . . . A 44 ARG HD3 . 17407 1 336 . 1 1 29 29 ASP H H 1 8.476 0.020 . 1 . . . A 45 ASP H . 17407 1 337 . 1 1 29 29 ASP HA H 1 4.433 0.020 . 1 . . . A 45 ASP HA . 17407 1 338 . 1 1 29 29 ASP C C 13 178.537 0.400 . 1 . . . A 45 ASP C . 17407 1 339 . 1 1 29 29 ASP CA C 13 57.155 0.400 . 1 . . . A 45 ASP CA . 17407 1 340 . 1 1 29 29 ASP CB C 13 40.343 0.400 . 1 . . . A 45 ASP CB . 17407 1 341 . 1 1 29 29 ASP N N 15 116.657 0.400 . 1 . . . A 45 ASP N . 17407 1 342 . 1 1 29 29 ASP HB2 H 1 2.685 0.020 . 2 . . . A 45 ASP HB2 . 17407 1 343 . 1 1 29 29 ASP HB3 H 1 2.533 0.020 . 2 . . . A 45 ASP HB3 . 17407 1 344 . 1 1 30 30 ARG H H 1 7.777 0.020 . 1 . . . A 46 ARG H . 17407 1 345 . 1 1 30 30 ARG HA H 1 4.220 0.020 . 1 . . . A 46 ARG HA . 17407 1 346 . 1 1 30 30 ARG C C 13 177.767 0.400 . 1 . . . A 46 ARG C . 17407 1 347 . 1 1 30 30 ARG CA C 13 57.609 0.400 . 1 . . . A 46 ARG CA . 17407 1 348 . 1 1 30 30 ARG CB C 13 29.858 0.400 . 1 . . . A 46 ARG CB . 17407 1 349 . 1 1 30 30 ARG N N 15 121.238 0.400 . 1 . . . A 46 ARG N . 17407 1 350 . 1 1 30 30 ARG HB2 H 1 1.923 0.020 . 2 . . . A 46 ARG HB2 . 17407 1 351 . 1 1 30 30 ARG HB3 H 1 1.824 0.020 . 2 . . . A 46 ARG HB3 . 17407 1 352 . 1 1 30 30 ARG HG2 H 1 1.610 0.020 . 2 . . . A 46 ARG HG2 . 17407 1 353 . 1 1 30 30 ARG HG3 H 1 1.610 0.020 . 2 . . . A 46 ARG HG3 . 17407 1 354 . 1 1 31 31 ARG H H 1 8.670 0.020 . 1 . . . A 47 ARG H . 17407 1 355 . 1 1 31 31 ARG HA H 1 3.659 0.020 . 1 . . . A 47 ARG HA . 17407 1 356 . 1 1 31 31 ARG C C 13 177.332 0.400 . 1 . . . A 47 ARG C . 17407 1 357 . 1 1 31 31 ARG CA C 13 60.520 0.400 . 1 . . . A 47 ARG CA . 17407 1 358 . 1 1 31 31 ARG CB C 13 30.359 0.400 . 1 . . . A 47 ARG CB . 17407 1 359 . 1 1 31 31 ARG N N 15 119.784 0.400 . 1 . . . A 47 ARG N . 17407 1 360 . 1 1 31 31 ARG HB2 H 1 2.049 0.020 . 2 . . . A 47 ARG HB2 . 17407 1 361 . 1 1 31 31 ARG HB3 H 1 1.809 0.020 . 2 . . . A 47 ARG HB3 . 17407 1 362 . 1 1 31 31 ARG HG2 H 1 1.561 0.020 . 2 . . . A 47 ARG HG2 . 17407 1 363 . 1 1 31 31 ARG HG3 H 1 1.474 0.020 . 2 . . . A 47 ARG HG3 . 17407 1 364 . 1 1 32 32 TYR H H 1 7.869 0.020 . 1 . . . A 48 TYR H . 17407 1 365 . 1 1 32 32 TYR HA H 1 4.034 0.020 . 1 . . . A 48 TYR HA . 17407 1 366 . 1 1 32 32 TYR HD1 H 1 7.247 0.020 . 3 . . . A 48 TYR HD1 . 17407 1 367 . 1 1 32 32 TYR HD2 H 1 7.247 0.020 . 3 . . . A 48 TYR HD2 . 17407 1 368 . 1 1 32 32 TYR HE1 H 1 6.801 0.020 . 3 . . . A 48 TYR HE1 . 17407 1 369 . 1 1 32 32 TYR HE2 H 1 6.801 0.020 . 3 . . . A 48 TYR HE2 . 17407 1 370 . 1 1 32 32 TYR C C 13 177.539 0.400 . 1 . . . A 48 TYR C . 17407 1 371 . 1 1 32 32 TYR CA C 13 61.757 0.400 . 1 . . . A 48 TYR CA . 17407 1 372 . 1 1 32 32 TYR CB C 13 38.180 0.400 . 1 . . . A 48 TYR CB . 17407 1 373 . 1 1 32 32 TYR CD1 C 13 133.622 0.400 . 3 . . . A 48 TYR CD1 . 17407 1 374 . 1 1 32 32 TYR CE1 C 13 118.277 0.400 . 3 . . . A 48 TYR CE1 . 17407 1 375 . 1 1 32 32 TYR N N 15 117.113 0.400 . 1 . . . A 48 TYR N . 17407 1 376 . 1 1 33 33 GLU H H 1 7.668 0.020 . 1 . . . A 49 GLU H . 17407 1 377 . 1 1 33 33 GLU HA H 1 4.118 0.020 . 1 . . . A 49 GLU HA . 17407 1 378 . 1 1 33 33 GLU C C 13 178.327 0.400 . 1 . . . A 49 GLU C . 17407 1 379 . 1 1 33 33 GLU CA C 13 59.095 0.400 . 1 . . . A 49 GLU CA . 17407 1 380 . 1 1 33 33 GLU CB C 13 30.045 0.400 . 1 . . . A 49 GLU CB . 17407 1 381 . 1 1 33 33 GLU CG C 13 35.538 0.400 . 1 . . . A 49 GLU CG . 17407 1 382 . 1 1 33 33 GLU N N 15 120.240 0.400 . 1 . . . A 49 GLU N . 17407 1 383 . 1 1 32 32 TYR HB2 H 1 3.190 0.020 . 2 . . . A 48 TYR HB2 . 17407 1 384 . 1 1 32 32 TYR HB3 H 1 3.190 0.020 . 2 . . . A 48 TYR HB3 . 17407 1 385 . 1 1 33 33 GLU HB2 H 1 2.231 0.020 . 2 . . . A 49 GLU HB2 . 17407 1 386 . 1 1 33 33 GLU HB3 H 1 2.088 0.020 . 2 . . . A 49 GLU HB3 . 17407 1 387 . 1 1 33 33 GLU HG2 H 1 2.407 0.020 . 2 . . . A 49 GLU HG2 . 17407 1 388 . 1 1 33 33 GLU HG3 H 1 2.407 0.020 . 2 . . . A 49 GLU HG3 . 17407 1 389 . 1 1 34 34 VAL H H 1 8.684 0.020 . 1 . . . A 50 VAL H . 17407 1 390 . 1 1 34 34 VAL HA H 1 3.528 0.020 . 1 . . . A 50 VAL HA . 17407 1 391 . 1 1 34 34 VAL HB H 1 1.939 0.020 . 1 . . . A 50 VAL HB . 17407 1 392 . 1 1 34 34 VAL C C 13 177.282 0.400 . 1 . . . A 50 VAL C . 17407 1 393 . 1 1 34 34 VAL CA C 13 66.216 0.400 . 1 . . . A 50 VAL CA . 17407 1 394 . 1 1 34 34 VAL CB C 13 32.063 0.400 . 1 . . . A 50 VAL CB . 17407 1 395 . 1 1 34 34 VAL CG1 C 13 23.005 0.400 . 2 . . . A 50 VAL CG1 . 17407 1 396 . 1 1 34 34 VAL CG2 C 13 22.624 0.400 . 2 . . . A 50 VAL CG2 . 17407 1 397 . 1 1 34 34 VAL N N 15 120.152 0.400 . 1 . . . A 50 VAL N . 17407 1 398 . 1 1 34 34 VAL HG11 H 1 0.921 0.020 . 2 . . . A 50 VAL HG11 . 17407 1 399 . 1 1 34 34 VAL HG12 H 1 0.921 0.020 . 2 . . . A 50 VAL HG12 . 17407 1 400 . 1 1 34 34 VAL HG13 H 1 0.921 0.020 . 2 . . . A 50 VAL HG13 . 17407 1 401 . 1 1 34 34 VAL HG21 H 1 0.804 0.020 . 2 . . . A 50 VAL HG21 . 17407 1 402 . 1 1 34 34 VAL HG22 H 1 0.804 0.020 . 2 . . . A 50 VAL HG22 . 17407 1 403 . 1 1 34 34 VAL HG23 H 1 0.804 0.020 . 2 . . . A 50 VAL HG23 . 17407 1 404 . 1 1 35 35 ALA H H 1 8.036 0.020 . 1 . . . A 51 ALA H . 17407 1 405 . 1 1 35 35 ALA HA H 1 3.569 0.020 . 1 . . . A 51 ALA HA . 17407 1 406 . 1 1 35 35 ALA HB1 H 1 1.321 0.020 . 1 . . . A 51 ALA HB1 . 17407 1 407 . 1 1 35 35 ALA HB2 H 1 1.321 0.020 . 1 . . . A 51 ALA HB2 . 17407 1 408 . 1 1 35 35 ALA HB3 H 1 1.321 0.020 . 1 . . . A 51 ALA HB3 . 17407 1 409 . 1 1 35 35 ALA C C 13 179.059 0.400 . 1 . . . A 51 ALA C . 17407 1 410 . 1 1 35 35 ALA CA C 13 56.057 0.400 . 1 . . . A 51 ALA CA . 17407 1 411 . 1 1 35 35 ALA CB C 13 17.556 0.400 . 1 . . . A 51 ALA CB . 17407 1 412 . 1 1 35 35 ALA N N 15 120.029 0.400 . 1 . . . A 51 ALA N . 17407 1 413 . 1 1 36 36 ARG H H 1 7.762 0.020 . 1 . . . A 52 ARG H . 17407 1 414 . 1 1 36 36 ARG HA H 1 3.991 0.020 . 1 . . . A 52 ARG HA . 17407 1 415 . 1 1 36 36 ARG C C 13 180.265 0.400 . 1 . . . A 52 ARG C . 17407 1 416 . 1 1 36 36 ARG CA C 13 59.295 0.400 . 1 . . . A 52 ARG CA . 17407 1 417 . 1 1 36 36 ARG CB C 13 30.230 0.400 . 1 . . . A 52 ARG CB . 17407 1 418 . 1 1 36 36 ARG CG C 13 27.048 0.400 . 1 . . . A 52 ARG CG . 17407 1 419 . 1 1 36 36 ARG CD C 13 43.200 0.400 . 1 . . . A 52 ARG CD . 17407 1 420 . 1 1 36 36 ARG N N 15 116.211 0.400 . 1 . . . A 52 ARG N . 17407 1 421 . 1 1 36 36 ARG HB2 H 1 1.720 0.020 . 2 . . . A 52 ARG HB2 . 17407 1 422 . 1 1 36 36 ARG HB3 H 1 1.909 0.020 . 2 . . . A 52 ARG HB3 . 17407 1 423 . 1 1 36 36 ARG HG2 H 1 1.577 0.020 . 2 . . . A 52 ARG HG2 . 17407 1 424 . 1 1 36 36 ARG HG3 H 1 1.481 0.020 . 2 . . . A 52 ARG HG3 . 17407 1 425 . 1 1 36 36 ARG HD2 H 1 3.216 0.020 . 2 . . . A 52 ARG HD2 . 17407 1 426 . 1 1 36 36 ARG HD3 H 1 3.015 0.020 . 2 . . . A 52 ARG HD3 . 17407 1 427 . 1 1 37 37 VAL H H 1 8.240 0.020 . 1 . . . A 53 VAL H . 17407 1 428 . 1 1 37 37 VAL HA H 1 3.815 0.020 . 1 . . . A 53 VAL HA . 17407 1 429 . 1 1 37 37 VAL HB H 1 2.160 0.020 . 1 . . . A 53 VAL HB . 17407 1 430 . 1 1 37 37 VAL C C 13 177.995 0.400 . 1 . . . A 53 VAL C . 17407 1 431 . 1 1 37 37 VAL CA C 13 65.657 0.400 . 1 . . . A 53 VAL CA . 17407 1 432 . 1 1 37 37 VAL CB C 13 32.078 0.400 . 1 . . . A 53 VAL CB . 17407 1 433 . 1 1 37 37 VAL CG1 C 13 22.624 0.400 . 2 . . . A 53 VAL CG1 . 17407 1 434 . 1 1 37 37 VAL CG2 C 13 21.352 0.400 . 2 . . . A 53 VAL CG2 . 17407 1 435 . 1 1 37 37 VAL N N 15 118.422 0.400 . 1 . . . A 53 VAL N . 17407 1 436 . 1 1 37 37 VAL HG11 H 1 1.095 0.020 . 2 . . . A 53 VAL HG11 . 17407 1 437 . 1 1 37 37 VAL HG12 H 1 1.095 0.020 . 2 . . . A 53 VAL HG12 . 17407 1 438 . 1 1 37 37 VAL HG13 H 1 1.095 0.020 . 2 . . . A 53 VAL HG13 . 17407 1 439 . 1 1 37 37 VAL HG21 H 1 0.999 0.020 . 2 . . . A 53 VAL HG21 . 17407 1 440 . 1 1 37 37 VAL HG22 H 1 0.999 0.020 . 2 . . . A 53 VAL HG22 . 17407 1 441 . 1 1 37 37 VAL HG23 H 1 0.999 0.020 . 2 . . . A 53 VAL HG23 . 17407 1 442 . 1 1 38 38 LEU H H 1 7.896 0.020 . 1 . . . A 54 LEU H . 17407 1 443 . 1 1 38 38 LEU HA H 1 4.483 0.020 . 1 . . . A 54 LEU HA . 17407 1 444 . 1 1 38 38 LEU HG H 1 1.951 0.020 . 1 . . . A 54 LEU HG . 17407 1 445 . 1 1 38 38 LEU C C 13 176.696 0.400 . 1 . . . A 54 LEU C . 17407 1 446 . 1 1 38 38 LEU CA C 13 54.488 0.400 . 1 . . . A 54 LEU CA . 17407 1 447 . 1 1 38 38 LEU CB C 13 42.231 0.400 . 1 . . . A 54 LEU CB . 17407 1 448 . 1 1 38 38 LEU CD1 C 13 22.936 0.400 . 2 . . . A 54 LEU CD1 . 17407 1 449 . 1 1 38 38 LEU CD2 C 13 26.713 0.400 . 2 . . . A 54 LEU CD2 . 17407 1 450 . 1 1 38 38 LEU N N 15 116.146 0.400 . 1 . . . A 54 LEU N . 17407 1 451 . 1 1 38 38 LEU HB2 H 1 1.715 0.020 . 2 . . . A 54 LEU HB2 . 17407 1 452 . 1 1 38 38 LEU HB3 H 1 1.420 0.020 . 2 . . . A 54 LEU HB3 . 17407 1 453 . 1 1 38 38 LEU HD11 H 1 0.752 0.020 . 2 . . . A 54 LEU HD11 . 17407 1 454 . 1 1 38 38 LEU HD12 H 1 0.752 0.020 . 2 . . . A 54 LEU HD12 . 17407 1 455 . 1 1 38 38 LEU HD13 H 1 0.752 0.020 . 2 . . . A 54 LEU HD13 . 17407 1 456 . 1 1 38 38 LEU HD21 H 1 0.662 0.020 . 2 . . . A 54 LEU HD21 . 17407 1 457 . 1 1 38 38 LEU HD22 H 1 0.662 0.020 . 2 . . . A 54 LEU HD22 . 17407 1 458 . 1 1 38 38 LEU HD23 H 1 0.662 0.020 . 2 . . . A 54 LEU HD23 . 17407 1 459 . 1 1 39 39 ASN H H 1 7.991 0.020 . 1 . . . A 55 ASN H . 17407 1 460 . 1 1 39 39 ASN HA H 1 4.429 0.020 . 1 . . . A 55 ASN HA . 17407 1 461 . 1 1 39 39 ASN C C 13 173.811 0.400 . 1 . . . A 55 ASN C . 17407 1 462 . 1 1 39 39 ASN CA C 13 54.528 0.400 . 1 . . . A 55 ASN CA . 17407 1 463 . 1 1 39 39 ASN CB C 13 37.000 0.400 . 1 . . . A 55 ASN CB . 17407 1 464 . 1 1 39 39 ASN N N 15 117.959 0.400 . 1 . . . A 55 ASN N . 17407 1 465 . 1 1 39 39 ASN ND2 N 15 111.674 0.400 . 1 . . . A 55 ASN ND2 . 17407 1 466 . 1 1 39 39 ASN HB2 H 1 3.244 0.020 . 2 . . . A 55 ASN HB2 . 17407 1 467 . 1 1 39 39 ASN HB3 H 1 2.805 0.020 . 2 . . . A 55 ASN HB3 . 17407 1 468 . 1 1 39 39 ASN HD21 H 1 7.462 0.020 . 2 . . . A 55 ASN HD21 . 17407 1 469 . 1 1 39 39 ASN HD22 H 1 6.822 0.020 . 2 . . . A 55 ASN HD22 . 17407 1 470 . 1 1 40 40 LEU H H 1 8.503 0.020 . 1 . . . A 56 LEU H . 17407 1 471 . 1 1 40 40 LEU HA H 1 4.871 0.020 . 1 . . . A 56 LEU HA . 17407 1 472 . 1 1 40 40 LEU HG H 1 1.530 0.020 . 1 . . . A 56 LEU HG . 17407 1 473 . 1 1 40 40 LEU C C 13 176.529 0.400 . 1 . . . A 56 LEU C . 17407 1 474 . 1 1 40 40 LEU CA C 13 52.846 0.400 . 1 . . . A 56 LEU CA . 17407 1 475 . 1 1 40 40 LEU CB C 13 47.969 0.400 . 1 . . . A 56 LEU CB . 17407 1 476 . 1 1 40 40 LEU CD1 C 13 23.927 0.400 . 2 . . . A 56 LEU CD1 . 17407 1 477 . 1 1 40 40 LEU CD2 C 13 27.892 0.400 . 2 . . . A 56 LEU CD2 . 17407 1 478 . 1 1 40 40 LEU N N 15 119.283 0.400 . 1 . . . A 56 LEU N . 17407 1 479 . 1 1 40 40 LEU HB2 H 1 1.717 0.020 . 2 . . . A 56 LEU HB2 . 17407 1 480 . 1 1 40 40 LEU HB3 H 1 1.308 0.020 . 2 . . . A 56 LEU HB3 . 17407 1 481 . 1 1 40 40 LEU HD11 H 1 0.843 0.020 . 2 . . . A 56 LEU HD11 . 17407 1 482 . 1 1 40 40 LEU HD12 H 1 0.843 0.020 . 2 . . . A 56 LEU HD12 . 17407 1 483 . 1 1 40 40 LEU HD13 H 1 0.843 0.020 . 2 . . . A 56 LEU HD13 . 17407 1 484 . 1 1 40 40 LEU HD21 H 1 0.700 0.020 . 2 . . . A 56 LEU HD21 . 17407 1 485 . 1 1 40 40 LEU HD22 H 1 0.700 0.020 . 2 . . . A 56 LEU HD22 . 17407 1 486 . 1 1 40 40 LEU HD23 H 1 0.700 0.020 . 2 . . . A 56 LEU HD23 . 17407 1 487 . 1 1 41 41 THR H H 1 8.715 0.020 . 1 . . . A 57 THR H . 17407 1 488 . 1 1 41 41 THR HA H 1 4.651 0.020 . 1 . . . A 57 THR HA . 17407 1 489 . 1 1 41 41 THR HB H 1 4.770 0.020 . 1 . . . A 57 THR HB . 17407 1 490 . 1 1 41 41 THR HG21 H 1 1.284 0.020 . 1 . . . A 57 THR HG21 . 17407 1 491 . 1 1 41 41 THR HG22 H 1 1.284 0.020 . 1 . . . A 57 THR HG22 . 17407 1 492 . 1 1 41 41 THR HG23 H 1 1.284 0.020 . 1 . . . A 57 THR HG23 . 17407 1 493 . 1 1 41 41 THR C C 13 176.670 0.400 . 1 . . . A 57 THR C . 17407 1 494 . 1 1 41 41 THR CA C 13 60.441 0.400 . 1 . . . A 57 THR CA . 17407 1 495 . 1 1 41 41 THR CB C 13 70.759 0.400 . 1 . . . A 57 THR CB . 17407 1 496 . 1 1 41 41 THR CG2 C 13 21.892 0.400 . 1 . . . A 57 THR CG2 . 17407 1 497 . 1 1 41 41 THR N N 15 109.367 0.400 . 1 . . . A 57 THR N . 17407 1 498 . 1 1 42 42 GLU H H 1 9.204 0.020 . 1 . . . A 58 GLU H . 17407 1 499 . 1 1 42 42 GLU HA H 1 3.655 0.020 . 1 . . . A 58 GLU HA . 17407 1 500 . 1 1 42 42 GLU C C 13 178.601 0.400 . 1 . . . A 58 GLU C . 17407 1 501 . 1 1 42 42 GLU CA C 13 61.173 0.400 . 1 . . . A 58 GLU CA . 17407 1 502 . 1 1 42 42 GLU CB C 13 29.470 0.400 . 1 . . . A 58 GLU CB . 17407 1 503 . 1 1 42 42 GLU CG C 13 37.884 0.400 . 1 . . . A 58 GLU CG . 17407 1 504 . 1 1 42 42 GLU N N 15 121.238 0.400 . 1 . . . A 58 GLU N . 17407 1 505 . 1 1 42 42 GLU HB2 H 1 1.948 0.020 . 2 . . . A 58 GLU HB2 . 17407 1 506 . 1 1 42 42 GLU HB3 H 1 1.948 0.020 . 2 . . . A 58 GLU HB3 . 17407 1 507 . 1 1 42 42 GLU HG2 H 1 2.051 0.020 . 2 . . . A 58 GLU HG2 . 17407 1 508 . 1 1 42 42 GLU HG3 H 1 2.318 0.020 . 2 . . . A 58 GLU HG3 . 17407 1 509 . 1 1 43 43 ARG H H 1 8.288 0.020 . 1 . . . A 59 ARG H . 17407 1 510 . 1 1 43 43 ARG HA H 1 3.985 0.020 . 1 . . . A 59 ARG HA . 17407 1 511 . 1 1 43 43 ARG C C 13 177.948 0.400 . 1 . . . A 59 ARG C . 17407 1 512 . 1 1 43 43 ARG CA C 13 59.503 0.400 . 1 . . . A 59 ARG CA . 17407 1 513 . 1 1 43 43 ARG N N 15 119.442 0.400 . 1 . . . A 59 ARG N . 17407 1 514 . 1 1 43 43 ARG HB2 H 1 1.783 0.020 . 2 . . . A 59 ARG HB2 . 17407 1 515 . 1 1 43 43 ARG HB3 H 1 1.783 0.020 . 2 . . . A 59 ARG HB3 . 17407 1 516 . 1 1 43 43 ARG HG2 H 1 1.680 0.020 . 2 . . . A 59 ARG HG2 . 17407 1 517 . 1 1 43 43 ARG HG3 H 1 1.680 0.020 . 2 . . . A 59 ARG HG3 . 17407 1 518 . 1 1 44 44 GLN H H 1 8.039 0.020 . 1 . . . A 60 GLN H . 17407 1 519 . 1 1 44 44 GLN HA H 1 4.090 0.020 . 1 . . . A 60 GLN HA . 17407 1 520 . 1 1 44 44 GLN C C 13 180.699 0.400 . 1 . . . A 60 GLN C . 17407 1 521 . 1 1 44 44 GLN CA C 13 59.354 0.400 . 1 . . . A 60 GLN CA . 17407 1 522 . 1 1 44 44 GLN CB C 13 29.692 0.400 . 1 . . . A 60 GLN CB . 17407 1 523 . 1 1 44 44 GLN N N 15 117.693 0.400 . 1 . . . A 60 GLN N . 17407 1 524 . 1 1 44 44 GLN NE2 N 15 111.515 0.400 . 1 . . . A 60 GLN NE2 . 17407 1 525 . 1 1 44 44 GLN HB2 H 1 2.011 0.020 . 2 . . . A 60 GLN HB2 . 17407 1 526 . 1 1 44 44 GLN HB3 H 1 2.011 0.020 . 2 . . . A 60 GLN HB3 . 17407 1 527 . 1 1 44 44 GLN HG2 H 1 2.576 0.020 . 2 . . . A 60 GLN HG2 . 17407 1 528 . 1 1 44 44 GLN HG3 H 1 2.433 0.020 . 2 . . . A 60 GLN HG3 . 17407 1 529 . 1 1 44 44 GLN HE21 H 1 7.427 0.020 . 2 . . . A 60 GLN HE21 . 17407 1 530 . 1 1 44 44 GLN HE22 H 1 6.826 0.020 . 2 . . . A 60 GLN HE22 . 17407 1 531 . 1 1 45 45 VAL H H 1 8.004 0.020 . 1 . . . A 61 VAL H . 17407 1 532 . 1 1 45 45 VAL HA H 1 3.753 0.020 . 1 . . . A 61 VAL HA . 17407 1 533 . 1 1 45 45 VAL HB H 1 2.198 0.020 . 1 . . . A 61 VAL HB . 17407 1 534 . 1 1 45 45 VAL C C 13 176.654 0.400 . 1 . . . A 61 VAL C . 17407 1 535 . 1 1 45 45 VAL CA C 13 67.815 0.400 . 1 . . . A 61 VAL CA . 17407 1 536 . 1 1 45 45 VAL CB C 13 32.174 0.400 . 1 . . . A 61 VAL CB . 17407 1 537 . 1 1 45 45 VAL CG1 C 13 23.999 0.400 . 2 . . . A 61 VAL CG1 . 17407 1 538 . 1 1 45 45 VAL N N 15 121.529 0.400 . 1 . . . A 61 VAL N . 17407 1 539 . 1 1 45 45 VAL HG11 H 1 0.983 0.020 . 2 . . . A 61 VAL HG11 . 17407 1 540 . 1 1 45 45 VAL HG12 H 1 0.983 0.020 . 2 . . . A 61 VAL HG12 . 17407 1 541 . 1 1 45 45 VAL HG13 H 1 0.983 0.020 . 2 . . . A 61 VAL HG13 . 17407 1 542 . 1 1 45 45 VAL HG21 H 1 0.983 0.020 . 2 . . . A 61 VAL HG21 . 17407 1 543 . 1 1 45 45 VAL HG22 H 1 0.983 0.020 . 2 . . . A 61 VAL HG22 . 17407 1 544 . 1 1 45 45 VAL HG23 H 1 0.983 0.020 . 2 . . . A 61 VAL HG23 . 17407 1 545 . 1 1 46 46 LYS H H 1 8.557 0.020 . 1 . . . A 62 LYS H . 17407 1 546 . 1 1 46 46 LYS HA H 1 4.239 0.020 . 1 . . . A 62 LYS HA . 17407 1 547 . 1 1 46 46 LYS C C 13 179.990 0.400 . 1 . . . A 62 LYS C . 17407 1 548 . 1 1 46 46 LYS CA C 13 60.301 0.400 . 1 . . . A 62 LYS CA . 17407 1 549 . 1 1 46 46 LYS CB C 13 33.369 0.400 . 1 . . . A 62 LYS CB . 17407 1 550 . 1 1 46 46 LYS CE C 13 43.080 0.400 . 1 . . . A 62 LYS CE . 17407 1 551 . 1 1 46 46 LYS N N 15 121.368 0.400 . 1 . . . A 62 LYS N . 17407 1 552 . 1 1 46 46 LYS HB2 H 1 2.189 0.020 . 2 . . . A 62 LYS HB2 . 17407 1 553 . 1 1 46 46 LYS HB3 H 1 1.905 0.020 . 2 . . . A 62 LYS HB3 . 17407 1 554 . 1 1 46 46 LYS HE2 H 1 3.415 0.020 . 2 . . . A 62 LYS HE2 . 17407 1 555 . 1 1 46 46 LYS HE3 H 1 3.128 0.020 . 2 . . . A 62 LYS HE3 . 17407 1 556 . 1 1 47 47 ILE H H 1 8.798 0.020 . 1 . . . A 63 ILE H . 17407 1 557 . 1 1 47 47 ILE HA H 1 3.885 0.020 . 1 . . . A 63 ILE HA . 17407 1 558 . 1 1 47 47 ILE HB H 1 1.975 0.020 . 1 . . . A 63 ILE HB . 17407 1 559 . 1 1 47 47 ILE HG21 H 1 1.039 0.020 . 1 . . . A 63 ILE HG21 . 17407 1 560 . 1 1 47 47 ILE HG22 H 1 1.039 0.020 . 1 . . . A 63 ILE HG22 . 17407 1 561 . 1 1 47 47 ILE HG23 H 1 1.039 0.020 . 1 . . . A 63 ILE HG23 . 17407 1 562 . 1 1 47 47 ILE HD11 H 1 0.869 0.020 . 1 . . . A 63 ILE HD11 . 17407 1 563 . 1 1 47 47 ILE HD12 H 1 0.869 0.020 . 1 . . . A 63 ILE HD12 . 17407 1 564 . 1 1 47 47 ILE HD13 H 1 0.869 0.020 . 1 . . . A 63 ILE HD13 . 17407 1 565 . 1 1 47 47 ILE C C 13 177.645 0.400 . 1 . . . A 63 ILE C . 17407 1 566 . 1 1 47 47 ILE CA C 13 64.493 0.400 . 1 . . . A 63 ILE CA . 17407 1 567 . 1 1 47 47 ILE CB C 13 38.276 0.400 . 1 . . . A 63 ILE CB . 17407 1 568 . 1 1 47 47 ILE CG1 C 13 29.311 0.400 . 1 . . . A 63 ILE CG1 . 17407 1 569 . 1 1 47 47 ILE CG2 C 13 17.610 0.400 . 1 . . . A 63 ILE CG2 . 17407 1 570 . 1 1 47 47 ILE CD1 C 13 13.325 0.400 . 1 . . . A 63 ILE CD1 . 17407 1 571 . 1 1 47 47 ILE N N 15 119.417 0.400 . 1 . . . A 63 ILE N . 17407 1 572 . 1 1 47 47 ILE HG12 H 1 1.351 0.020 . 2 . . . A 63 ILE HG12 . 17407 1 573 . 1 1 47 47 ILE HG13 H 1 1.735 0.020 . 2 . . . A 63 ILE HG13 . 17407 1 574 . 1 1 48 48 TRP H H 1 8.088 0.020 . 1 . . . A 64 TRP H . 17407 1 575 . 1 1 48 48 TRP HA H 1 3.923 0.020 . 1 . . . A 64 TRP HA . 17407 1 576 . 1 1 48 48 TRP HD1 H 1 5.905 0.020 . 1 . . . A 64 TRP HD1 . 17407 1 577 . 1 1 48 48 TRP HE1 H 1 9.909 0.020 . 1 . . . A 64 TRP HE1 . 17407 1 578 . 1 1 48 48 TRP HZ2 H 1 7.197 0.020 . 1 . . . A 64 TRP HZ2 . 17407 1 579 . 1 1 48 48 TRP HZ3 H 1 6.574 0.020 . 1 . . . A 64 TRP HZ3 . 17407 1 580 . 1 1 48 48 TRP C C 13 179.993 0.400 . 1 . . . A 64 TRP C . 17407 1 581 . 1 1 48 48 TRP CA C 13 63.329 0.400 . 1 . . . A 64 TRP CA . 17407 1 582 . 1 1 48 48 TRP CB C 13 29.266 0.400 . 1 . . . A 64 TRP CB . 17407 1 583 . 1 1 48 48 TRP CD1 C 13 127.025 0.400 . 1 . . . A 64 TRP CD1 . 17407 1 584 . 1 1 48 48 TRP CZ2 C 13 114.569 0.400 . 1 . . . A 64 TRP CZ2 . 17407 1 585 . 1 1 48 48 TRP CZ3 C 13 123.814 0.400 . 1 . . . A 64 TRP CZ3 . 17407 1 586 . 1 1 48 48 TRP N N 15 122.491 0.400 . 1 . . . A 64 TRP N . 17407 1 587 . 1 1 48 48 TRP NE1 N 15 128.878 0.400 . 1 . . . A 64 TRP NE1 . 17407 1 588 . 1 1 48 48 TRP HB2 H 1 3.274 0.020 . 2 . . . A 64 TRP HB2 . 17407 1 589 . 1 1 48 48 TRP HB3 H 1 3.512 0.020 . 2 . . . A 64 TRP HB3 . 17407 1 590 . 1 1 49 49 PHE H H 1 8.885 0.020 . 1 . . . A 65 PHE H . 17407 1 591 . 1 1 49 49 PHE HA H 1 3.887 0.020 . 1 . . . A 65 PHE HA . 17407 1 592 . 1 1 49 49 PHE HD1 H 1 7.807 0.020 . 3 . . . A 65 PHE HD1 . 17407 1 593 . 1 1 49 49 PHE HZ H 1 7.218 0.020 . 1 . . . A 65 PHE HZ . 17407 1 594 . 1 1 49 49 PHE C C 13 177.866 0.400 . 1 . . . A 65 PHE C . 17407 1 595 . 1 1 49 49 PHE CA C 13 63.533 0.400 . 1 . . . A 65 PHE CA . 17407 1 596 . 1 1 49 49 PHE N N 15 119.536 0.400 . 1 . . . A 65 PHE N . 17407 1 597 . 1 1 49 49 PHE HB2 H 1 3.599 0.020 . 2 . . . A 65 PHE HB2 . 17407 1 598 . 1 1 49 49 PHE HB3 H 1 3.290 0.020 . 2 . . . A 65 PHE HB3 . 17407 1 599 . 1 1 50 50 GLN H H 1 8.259 0.020 . 1 . . . A 66 GLN H . 17407 1 600 . 1 1 50 50 GLN HA H 1 4.029 0.020 . 1 . . . A 66 GLN HA . 17407 1 601 . 1 1 50 50 GLN C C 13 178.939 0.400 . 1 . . . A 66 GLN C . 17407 1 602 . 1 1 50 50 GLN CA C 13 59.610 0.400 . 1 . . . A 66 GLN CA . 17407 1 603 . 1 1 50 50 GLN CB C 13 28.647 0.400 . 1 . . . A 66 GLN CB . 17407 1 604 . 1 1 50 50 GLN CG C 13 34.025 0.400 . 1 . . . A 66 GLN CG . 17407 1 605 . 1 1 50 50 GLN N N 15 118.849 0.400 . 1 . . . A 66 GLN N . 17407 1 606 . 1 1 50 50 GLN NE2 N 15 111.332 0.400 . 1 . . . A 66 GLN NE2 . 17407 1 607 . 1 1 50 50 GLN HB2 H 1 2.308 0.020 . 2 . . . A 66 GLN HB2 . 17407 1 608 . 1 1 50 50 GLN HB3 H 1 2.156 0.020 . 2 . . . A 66 GLN HB3 . 17407 1 609 . 1 1 50 50 GLN HG2 H 1 2.556 0.020 . 2 . . . A 66 GLN HG2 . 17407 1 610 . 1 1 50 50 GLN HG3 H 1 2.453 0.020 . 2 . . . A 66 GLN HG3 . 17407 1 611 . 1 1 50 50 GLN HE21 H 1 7.584 0.020 . 2 . . . A 66 GLN HE21 . 17407 1 612 . 1 1 50 50 GLN HE22 H 1 6.959 0.020 . 2 . . . A 66 GLN HE22 . 17407 1 613 . 1 1 51 51 ASN H H 1 8.355 0.020 . 1 . . . A 67 ASN H . 17407 1 614 . 1 1 51 51 ASN HA H 1 4.284 0.020 . 1 . . . A 67 ASN HA . 17407 1 615 . 1 1 51 51 ASN C C 13 177.308 0.400 . 1 . . . A 67 ASN C . 17407 1 616 . 1 1 51 51 ASN CA C 13 55.951 0.400 . 1 . . . A 67 ASN CA . 17407 1 617 . 1 1 51 51 ASN CB C 13 38.238 0.400 . 1 . . . A 67 ASN CB . 17407 1 618 . 1 1 51 51 ASN N N 15 118.622 0.400 . 1 . . . A 67 ASN N . 17407 1 619 . 1 1 51 51 ASN ND2 N 15 112.749 0.400 . 1 . . . A 67 ASN ND2 . 17407 1 620 . 1 1 51 51 ASN HB2 H 1 2.612 0.020 . 2 . . . A 67 ASN HB2 . 17407 1 621 . 1 1 51 51 ASN HB3 H 1 2.401 0.020 . 2 . . . A 67 ASN HB3 . 17407 1 622 . 1 1 51 51 ASN HD21 H 1 7.369 0.020 . 2 . . . A 67 ASN HD21 . 17407 1 623 . 1 1 51 51 ASN HD22 H 1 6.928 0.020 . 2 . . . A 67 ASN HD22 . 17407 1 624 . 1 1 52 52 ARG H H 1 8.192 0.020 . 1 . . . A 68 ARG H . 17407 1 625 . 1 1 52 52 ARG HA H 1 3.414 0.020 . 1 . . . A 68 ARG HA . 17407 1 626 . 1 1 52 52 ARG C C 13 179.398 0.400 . 1 . . . A 68 ARG C . 17407 1 627 . 1 1 52 52 ARG CA C 13 56.610 0.400 . 1 . . . A 68 ARG CA . 17407 1 628 . 1 1 52 52 ARG CB C 13 28.369 0.400 . 1 . . . A 68 ARG CB . 17407 1 629 . 1 1 52 52 ARG N N 15 123.101 0.400 . 1 . . . A 68 ARG N . 17407 1 630 . 1 1 52 52 ARG HB2 H 1 0.792 0.020 . 2 . . . A 68 ARG HB2 . 17407 1 631 . 1 1 52 52 ARG HB3 H 1 -0.219 0.020 . 2 . . . A 68 ARG HB3 . 17407 1 632 . 1 1 53 53 ARG H H 1 8.059 0.020 . 1 . . . A 69 ARG H . 17407 1 633 . 1 1 53 53 ARG HA H 1 4.084 0.020 . 1 . . . A 69 ARG HA . 17407 1 634 . 1 1 53 53 ARG C C 13 179.088 0.400 . 1 . . . A 69 ARG C . 17407 1 635 . 1 1 53 53 ARG CA C 13 60.200 0.400 . 1 . . . A 69 ARG CA . 17407 1 636 . 1 1 53 53 ARG N N 15 118.798 0.400 . 1 . . . A 69 ARG N . 17407 1 637 . 1 1 53 53 ARG HB2 H 1 1.854 0.020 . 2 . . . A 69 ARG HB2 . 17407 1 638 . 1 1 53 53 ARG HB3 H 1 1.854 0.020 . 2 . . . A 69 ARG HB3 . 17407 1 639 . 1 1 53 53 ARG HG2 H 1 1.558 0.020 . 2 . . . A 69 ARG HG2 . 17407 1 640 . 1 1 53 53 ARG HG3 H 1 1.558 0.020 . 2 . . . A 69 ARG HG3 . 17407 1 641 . 1 1 54 54 MET H H 1 7.661 0.020 . 1 . . . A 70 MET H . 17407 1 642 . 1 1 54 54 MET HA H 1 4.233 0.020 . 1 . . . A 70 MET HA . 17407 1 643 . 1 1 54 54 MET C C 13 178.274 0.400 . 1 . . . A 70 MET C . 17407 1 644 . 1 1 54 54 MET CA C 13 58.148 0.400 . 1 . . . A 70 MET CA . 17407 1 645 . 1 1 54 54 MET CG C 13 32.120 0.400 . 1 . . . A 70 MET CG . 17407 1 646 . 1 1 54 54 MET N N 15 118.895 0.400 . 1 . . . A 70 MET N . 17407 1 647 . 1 1 54 54 MET HB2 H 1 2.171 0.020 . 2 . . . A 70 MET HB2 . 17407 1 648 . 1 1 54 54 MET HB3 H 1 2.171 0.020 . 2 . . . A 70 MET HB3 . 17407 1 649 . 1 1 54 54 MET HG2 H 1 2.733 0.020 . 2 . . . A 70 MET HG2 . 17407 1 650 . 1 1 54 54 MET HG3 H 1 2.615 0.020 . 2 . . . A 70 MET HG3 . 17407 1 651 . 1 1 55 55 LYS H H 1 7.668 0.020 . 1 . . . A 71 LYS H . 17407 1 652 . 1 1 55 55 LYS HA H 1 3.986 0.020 . 1 . . . A 71 LYS HA . 17407 1 653 . 1 1 55 55 LYS C C 13 177.884 0.400 . 1 . . . A 71 LYS C . 17407 1 654 . 1 1 55 55 LYS CA C 13 58.368 0.400 . 1 . . . A 71 LYS CA . 17407 1 655 . 1 1 55 55 LYS CB C 13 32.609 0.400 . 1 . . . A 71 LYS CB . 17407 1 656 . 1 1 55 55 LYS CG C 13 25.130 0.400 . 1 . . . A 71 LYS CG . 17407 1 657 . 1 1 55 55 LYS CD C 13 29.381 0.400 . 1 . . . A 71 LYS CD . 17407 1 658 . 1 1 55 55 LYS CE C 13 41.833 0.400 . 1 . . . A 71 LYS CE . 17407 1 659 . 1 1 55 55 LYS N N 15 119.455 0.400 . 1 . . . A 71 LYS N . 17407 1 660 . 1 1 55 55 LYS HB2 H 1 1.737 0.020 . 2 . . . A 71 LYS HB2 . 17407 1 661 . 1 1 55 55 LYS HB3 H 1 1.737 0.020 . 2 . . . A 71 LYS HB3 . 17407 1 662 . 1 1 55 55 LYS HG2 H 1 1.278 0.020 . 2 . . . A 71 LYS HG2 . 17407 1 663 . 1 1 55 55 LYS HG3 H 1 1.278 0.020 . 2 . . . A 71 LYS HG3 . 17407 1 664 . 1 1 55 55 LYS HD2 H 1 1.437 0.020 . 2 . . . A 71 LYS HD2 . 17407 1 665 . 1 1 55 55 LYS HD3 H 1 1.437 0.020 . 2 . . . A 71 LYS HD3 . 17407 1 666 . 1 1 55 55 LYS HE2 H 1 2.767 0.020 . 2 . . . A 71 LYS HE2 . 17407 1 667 . 1 1 55 55 LYS HE3 H 1 2.767 0.020 . 2 . . . A 71 LYS HE3 . 17407 1 668 . 1 1 56 56 MET H H 1 7.582 0.020 . 1 . . . A 72 MET H . 17407 1 669 . 1 1 56 56 MET HA H 1 4.237 0.020 . 1 . . . A 72 MET HA . 17407 1 670 . 1 1 56 56 MET HE1 H 1 2.215 0.020 . 1 . . . A 72 MET HE1 . 17407 1 671 . 1 1 56 56 MET HE2 H 1 2.215 0.020 . 1 . . . A 72 MET HE2 . 17407 1 672 . 1 1 56 56 MET HE3 H 1 2.215 0.020 . 1 . . . A 72 MET HE3 . 17407 1 673 . 1 1 56 56 MET C C 13 177.247 0.400 . 1 . . . A 72 MET C . 17407 1 674 . 1 1 56 56 MET CA C 13 57.626 0.400 . 1 . . . A 72 MET CA . 17407 1 675 . 1 1 56 56 MET CB C 13 33.054 0.400 . 1 . . . A 72 MET CB . 17407 1 676 . 1 1 56 56 MET CE C 13 17.543 0.400 . 1 . . . A 72 MET CE . 17407 1 677 . 1 1 56 56 MET N N 15 118.083 0.400 . 1 . . . A 72 MET N . 17407 1 678 . 1 1 57 57 LYS H H 1 7.923 0.020 . 1 . . . A 73 LYS H . 17407 1 679 . 1 1 57 57 LYS HA H 1 4.173 0.020 . 1 . . . A 73 LYS HA . 17407 1 680 . 1 1 57 57 LYS C C 13 177.706 0.400 . 1 . . . A 73 LYS C . 17407 1 681 . 1 1 57 57 LYS CA C 13 57.960 0.400 . 1 . . . A 73 LYS CA . 17407 1 682 . 1 1 57 57 LYS CB C 13 32.777 0.400 . 1 . . . A 73 LYS CB . 17407 1 683 . 1 1 57 57 LYS CG C 13 25.358 0.400 . 1 . . . A 73 LYS CG . 17407 1 684 . 1 1 57 57 LYS N N 15 119.884 0.400 . 1 . . . A 73 LYS N . 17407 1 685 . 1 1 57 57 LYS HB2 H 1 1.902 0.020 . 2 . . . A 73 LYS HB2 . 17407 1 686 . 1 1 57 57 LYS HB3 H 1 1.902 0.020 . 2 . . . A 73 LYS HB3 . 17407 1 687 . 1 1 57 57 LYS HG2 H 1 1.586 0.020 . 2 . . . A 73 LYS HG2 . 17407 1 688 . 1 1 57 57 LYS HG3 H 1 1.482 0.020 . 2 . . . A 73 LYS HG3 . 17407 1 689 . 1 1 57 57 LYS HD2 H 1 1.723 0.020 . 2 . . . A 73 LYS HD2 . 17407 1 690 . 1 1 57 57 LYS HD3 H 1 1.723 0.020 . 2 . . . A 73 LYS HD3 . 17407 1 691 . 1 1 57 57 LYS HE2 H 1 2.993 0.020 . 2 . . . A 73 LYS HE2 . 17407 1 692 . 1 1 57 57 LYS HE3 H 1 2.993 0.020 . 2 . . . A 73 LYS HE3 . 17407 1 693 . 1 1 58 58 LYS H H 1 8.005 0.020 . 1 . . . A 74 LYS H . 17407 1 694 . 1 1 58 58 LYS HA H 1 4.205 0.020 . 1 . . . A 74 LYS HA . 17407 1 695 . 1 1 58 58 LYS C C 13 177.417 0.400 . 1 . . . A 74 LYS C . 17407 1 696 . 1 1 58 58 LYS CA C 13 57.556 0.400 . 1 . . . A 74 LYS CA . 17407 1 697 . 1 1 58 58 LYS CB C 13 32.786 0.400 . 1 . . . A 74 LYS CB . 17407 1 698 . 1 1 58 58 LYS CG C 13 25.072 0.400 . 1 . . . A 74 LYS CG . 17407 1 699 . 1 1 58 58 LYS CD C 13 29.276 0.400 . 1 . . . A 74 LYS CD . 17407 1 700 . 1 1 58 58 LYS CE C 13 41.831 0.400 . 1 . . . A 74 LYS CE . 17407 1 701 . 1 1 58 58 LYS N N 15 120.321 0.400 . 1 . . . A 74 LYS N . 17407 1 702 . 1 1 58 58 LYS HB2 H 1 1.875 0.020 . 2 . . . A 74 LYS HB2 . 17407 1 703 . 1 1 58 58 LYS HB3 H 1 1.875 0.020 . 2 . . . A 74 LYS HB3 . 17407 1 704 . 1 1 58 58 LYS HG2 H 1 1.496 0.020 . 2 . . . A 74 LYS HG2 . 17407 1 705 . 1 1 58 58 LYS HG3 H 1 1.427 0.020 . 2 . . . A 74 LYS HG3 . 17407 1 706 . 1 1 58 58 LYS HD2 H 1 1.661 0.020 . 2 . . . A 74 LYS HD2 . 17407 1 707 . 1 1 58 58 LYS HD3 H 1 1.661 0.020 . 2 . . . A 74 LYS HD3 . 17407 1 708 . 1 1 58 58 LYS HE2 H 1 2.965 0.020 . 2 . . . A 74 LYS HE2 . 17407 1 709 . 1 1 58 58 LYS HE3 H 1 2.965 0.020 . 2 . . . A 74 LYS HE3 . 17407 1 710 . 1 1 59 59 MET H H 1 8.147 0.020 . 1 . . . A 75 MET H . 17407 1 711 . 1 1 59 59 MET HA H 1 4.369 0.020 . 1 . . . A 75 MET HA . 17407 1 712 . 1 1 59 59 MET C C 13 176.649 0.400 . 1 . . . A 75 MET C . 17407 1 713 . 1 1 59 59 MET CA C 13 56.382 0.400 . 1 . . . A 75 MET CA . 17407 1 714 . 1 1 59 59 MET CB C 13 32.949 0.400 . 1 . . . A 75 MET CB . 17407 1 715 . 1 1 59 59 MET CG C 13 32.145 0.400 . 1 . . . A 75 MET CG . 17407 1 716 . 1 1 59 59 MET N N 15 119.658 0.400 . 1 . . . A 75 MET N . 17407 1 717 . 1 1 59 59 MET HB2 H 1 2.065 0.020 . 2 . . . A 75 MET HB2 . 17407 1 718 . 1 1 59 59 MET HB3 H 1 2.136 0.020 . 2 . . . A 75 MET HB3 . 17407 1 719 . 1 1 59 59 MET HG2 H 1 2.659 0.020 . 2 . . . A 75 MET HG2 . 17407 1 720 . 1 1 59 59 MET HG3 H 1 2.554 0.020 . 2 . . . A 75 MET HG3 . 17407 1 721 . 1 1 60 60 ASN H H 1 8.269 0.020 . 1 . . . A 76 ASN H . 17407 1 722 . 1 1 60 60 ASN HA H 1 4.680 0.020 . 1 . . . A 76 ASN HA . 17407 1 723 . 1 1 60 60 ASN C C 13 175.492 0.400 . 1 . . . A 76 ASN C . 17407 1 724 . 1 1 60 60 ASN CA C 13 53.796 0.400 . 1 . . . A 76 ASN CA . 17407 1 725 . 1 1 60 60 ASN CB C 13 38.841 0.400 . 1 . . . A 76 ASN CB . 17407 1 726 . 1 1 60 60 ASN N N 15 119.239 0.400 . 1 . . . A 76 ASN N . 17407 1 727 . 1 1 60 60 ASN ND2 N 15 112.631 0.400 . 1 . . . A 76 ASN ND2 . 17407 1 728 . 1 1 60 60 ASN HB2 H 1 2.867 0.020 . 2 . . . A 76 ASN HB2 . 17407 1 729 . 1 1 60 60 ASN HB3 H 1 2.816 0.020 . 2 . . . A 76 ASN HB3 . 17407 1 730 . 1 1 60 60 ASN HD21 H 1 7.644 0.020 . 2 . . . A 76 ASN HD21 . 17407 1 731 . 1 1 60 60 ASN HD22 H 1 6.953 0.020 . 2 . . . A 76 ASN HD22 . 17407 1 732 . 2 2 1 1 ASN H H 1 8.531 0.020 . 1 . . . A 171 ASN H . 17407 1 733 . 2 2 1 1 ASN HA H 1 4.665 0.020 . 1 . . . A 171 ASN HA . 17407 1 734 . 2 2 1 1 ASN C C 13 175.040 0.400 . 1 . . . A 171 ASN C . 17407 1 735 . 2 2 1 1 ASN CA C 13 53.439 0.400 . 1 . . . A 171 ASN CA . 17407 1 736 . 2 2 1 1 ASN CB C 13 38.668 0.400 . 1 . . . A 171 ASN CB . 17407 1 737 . 2 2 1 1 ASN N N 15 119.697 0.400 . 1 . . . A 171 ASN N . 17407 1 738 . 2 2 1 1 ASN ND2 N 15 113.137 0.400 . 1 . . . A 171 ASN ND2 . 17407 1 739 . 2 2 1 1 ASN HB2 H 1 2.847 0.020 . 2 . . . A 171 ASN HB2 . 17407 1 740 . 2 2 1 1 ASN HB3 H 1 2.763 0.020 . 2 . . . A 171 ASN HB3 . 17407 1 741 . 2 2 1 1 ASN HD21 H 1 7.627 0.020 . 2 . . . A 171 ASN HD21 . 17407 1 742 . 2 2 1 1 ASN HD22 H 1 6.941 0.020 . 2 . . . A 171 ASN HD22 . 17407 1 743 . 2 2 2 2 GLN H H 1 8.345 0.020 . 1 . . . A 172 GLN H . 17407 1 744 . 2 2 2 2 GLN HA H 1 4.279 0.020 . 1 . . . A 172 GLN HA . 17407 1 745 . 2 2 2 2 GLN C C 13 175.710 0.400 . 1 . . . A 172 GLN C . 17407 1 746 . 2 2 2 2 GLN CA C 13 56.006 0.400 . 1 . . . A 172 GLN CA . 17407 1 747 . 2 2 2 2 GLN CB C 13 29.464 0.400 . 1 . . . A 172 GLN CB . 17407 1 748 . 2 2 2 2 GLN N N 15 120.495 0.400 . 1 . . . A 172 GLN N . 17407 1 749 . 2 2 2 2 GLN NE2 N 15 112.446 0.400 . 1 . . . A 172 GLN NE2 . 17407 1 750 . 2 2 2 2 GLN HB2 H 1 2.046 0.020 . 2 . . . A 172 GLN HB2 . 17407 1 751 . 2 2 2 2 GLN HB3 H 1 1.923 0.020 . 2 . . . A 172 GLN HB3 . 17407 1 752 . 2 2 2 2 GLN HG2 H 1 2.271 0.020 . 2 . . . A 172 GLN HG2 . 17407 1 753 . 2 2 2 2 GLN HG3 H 1 2.271 0.020 . 2 . . . A 172 GLN HG3 . 17407 1 754 . 2 2 2 2 GLN HE21 H 1 7.516 0.020 . 2 . . . A 172 GLN HE21 . 17407 1 755 . 2 2 2 2 GLN HE22 H 1 6.850 0.020 . 2 . . . A 172 GLN HE22 . 17407 1 756 . 2 2 3 3 GLU H H 1 8.393 0.020 . 1 . . . A 173 GLU H . 17407 1 757 . 2 2 3 3 GLU HA H 1 4.198 0.020 . 1 . . . A 173 GLU HA . 17407 1 758 . 2 2 3 3 GLU C C 13 176.096 0.400 . 1 . . . A 173 GLU C . 17407 1 759 . 2 2 3 3 GLU CA C 13 56.677 0.400 . 1 . . . A 173 GLU CA . 17407 1 760 . 2 2 3 3 GLU CB C 13 30.197 0.400 . 1 . . . A 173 GLU CB . 17407 1 761 . 2 2 3 3 GLU N N 15 121.647 0.400 . 1 . . . A 173 GLU N . 17407 1 762 . 2 2 3 3 GLU HB2 H 1 1.907 0.020 . 2 . . . A 173 GLU HB2 . 17407 1 763 . 2 2 3 3 GLU HB3 H 1 1.836 0.020 . 2 . . . A 173 GLU HB3 . 17407 1 764 . 2 2 3 3 GLU HG2 H 1 2.157 0.020 . 2 . . . A 173 GLU HG2 . 17407 1 765 . 2 2 3 3 GLU HG3 H 1 2.056 0.020 . 2 . . . A 173 GLU HG3 . 17407 1 766 . 2 2 4 4 PHE H H 1 8.140 0.020 . 1 . . . A 174 PHE H . 17407 1 767 . 2 2 4 4 PHE HA H 1 4.658 0.020 . 1 . . . A 174 PHE HA . 17407 1 768 . 2 2 4 4 PHE HD1 H 1 7.225 0.020 . 3 . . . A 174 PHE HD1 . 17407 1 769 . 2 2 4 4 PHE HD2 H 1 7.225 0.020 . 3 . . . A 174 PHE HD2 . 17407 1 770 . 2 2 4 4 PHE C C 13 175.311 0.400 . 1 . . . A 174 PHE C . 17407 1 771 . 2 2 4 4 PHE CA C 13 57.282 0.400 . 1 . . . A 174 PHE CA . 17407 1 772 . 2 2 4 4 PHE CB C 13 39.814 0.400 . 1 . . . A 174 PHE CB . 17407 1 773 . 2 2 4 4 PHE N N 15 119.996 0.400 . 1 . . . A 174 PHE N . 17407 1 774 . 2 2 4 4 PHE HB2 H 1 3.170 0.020 . 2 . . . A 174 PHE HB2 . 17407 1 775 . 2 2 4 4 PHE HB3 H 1 2.969 0.020 . 2 . . . A 174 PHE HB3 . 17407 1 776 . 2 2 5 5 ASP H H 1 8.365 0.020 . 1 . . . A 175 ASP H . 17407 1 777 . 2 2 5 5 ASP HA H 1 4.630 0.020 . 1 . . . A 175 ASP HA . 17407 1 778 . 2 2 5 5 ASP C C 13 176.065 0.400 . 1 . . . A 175 ASP C . 17407 1 779 . 2 2 5 5 ASP CA C 13 54.227 0.400 . 1 . . . A 175 ASP CA . 17407 1 780 . 2 2 5 5 ASP CB C 13 41.331 0.400 . 1 . . . A 175 ASP CB . 17407 1 781 . 2 2 5 5 ASP N N 15 122.057 0.400 . 1 . . . A 175 ASP N . 17407 1 782 . 2 2 5 5 ASP HB2 H 1 2.696 0.020 . 2 . . . A 175 ASP HB2 . 17407 1 783 . 2 2 5 5 ASP HB3 H 1 2.603 0.020 . 2 . . . A 175 ASP HB3 . 17407 1 784 . 2 2 6 6 SER H H 1 8.238 0.020 . 1 . . . A 176 SER H . 17407 1 785 . 2 2 6 6 SER HA H 1 4.414 0.020 . 1 . . . A 176 SER HA . 17407 1 786 . 2 2 6 6 SER C C 13 174.606 0.400 . 1 . . . A 176 SER C . 17407 1 787 . 2 2 6 6 SER CA C 13 58.381 0.400 . 1 . . . A 176 SER CA . 17407 1 788 . 2 2 6 6 SER CB C 13 63.972 0.400 . 1 . . . A 176 SER CB . 17407 1 789 . 2 2 6 6 SER N N 15 116.413 0.400 . 1 . . . A 176 SER N . 17407 1 790 . 2 2 6 6 SER HB2 H 1 3.913 0.020 . 2 . . . A 176 SER HB2 . 17407 1 791 . 2 2 6 6 SER HB3 H 1 3.829 0.020 . 2 . . . A 176 SER HB3 . 17407 1 792 . 2 2 7 7 GLU H H 1 8.521 0.020 . 1 . . . A 177 GLU H . 17407 1 793 . 2 2 7 7 GLU HA H 1 4.277 0.020 . 1 . . . A 177 GLU HA . 17407 1 794 . 2 2 7 7 GLU C C 13 176.370 0.400 . 1 . . . A 177 GLU C . 17407 1 795 . 2 2 7 7 GLU CA C 13 56.608 0.400 . 1 . . . A 177 GLU CA . 17407 1 796 . 2 2 7 7 GLU CB C 13 30.345 0.400 . 1 . . . A 177 GLU CB . 17407 1 797 . 2 2 7 7 GLU CG C 13 33.769 0.400 . 1 . . . A 177 GLU CG . 17407 1 798 . 2 2 7 7 GLU N N 15 122.606 0.400 . 1 . . . A 177 GLU N . 17407 1 799 . 2 2 7 7 GLU HB2 H 1 2.056 0.020 . 2 . . . A 177 GLU HB2 . 17407 1 800 . 2 2 7 7 GLU HB3 H 1 1.930 0.020 . 2 . . . A 177 GLU HB3 . 17407 1 801 . 2 2 7 7 GLU HG2 H 1 2.281 0.020 . 2 . . . A 177 GLU HG2 . 17407 1 802 . 2 2 7 7 GLU HG3 H 1 2.281 0.020 . 2 . . . A 177 GLU HG3 . 17407 1 803 . 2 2 8 8 GLU H H 1 8.428 0.020 . 1 . . . A 178 GLU H . 17407 1 804 . 2 2 8 8 GLU HA H 1 4.305 0.020 . 1 . . . A 178 GLU HA . 17407 1 805 . 2 2 8 8 GLU C C 13 176.491 0.400 . 1 . . . A 178 GLU C . 17407 1 806 . 2 2 8 8 GLU CA C 13 56.489 0.400 . 1 . . . A 178 GLU CA . 17407 1 807 . 2 2 8 8 GLU CB C 13 30.611 0.400 . 1 . . . A 178 GLU CB . 17407 1 808 . 2 2 8 8 GLU N N 15 122.174 0.400 . 1 . . . A 178 GLU N . 17407 1 809 . 2 2 8 8 GLU HB2 H 1 2.075 0.020 . 2 . . . A 178 GLU HB2 . 17407 1 810 . 2 2 8 8 GLU HB3 H 1 1.934 0.020 . 2 . . . A 178 GLU HB3 . 17407 1 811 . 2 2 8 8 GLU HG2 H 1 2.261 0.020 . 2 . . . A 178 GLU HG2 . 17407 1 812 . 2 2 8 8 GLU HG3 H 1 2.261 0.020 . 2 . . . A 178 GLU HG3 . 17407 1 813 . 2 2 9 9 GLU H H 1 8.321 0.020 . 1 . . . A 179 GLU H . 17407 1 814 . 2 2 9 9 GLU HA H 1 4.339 0.020 . 1 . . . A 179 GLU HA . 17407 1 815 . 2 2 9 9 GLU C C 13 176.478 0.400 . 1 . . . A 179 GLU C . 17407 1 816 . 2 2 9 9 GLU CA C 13 56.545 0.400 . 1 . . . A 179 GLU CA . 17407 1 817 . 2 2 9 9 GLU CB C 13 30.577 0.400 . 1 . . . A 179 GLU CB . 17407 1 818 . 2 2 9 9 GLU N N 15 121.365 0.400 . 1 . . . A 179 GLU N . 17407 1 819 . 2 2 10 10 THR H H 1 8.305 0.020 . 1 . . . A 180 THR H . 17407 1 820 . 2 2 10 10 THR HA H 1 4.395 0.020 . 1 . . . A 180 THR HA . 17407 1 821 . 2 2 10 10 THR HB H 1 4.171 0.020 . 1 . . . A 180 THR HB . 17407 1 822 . 2 2 10 10 THR HG21 H 1 1.181 0.020 . 1 . . . A 180 THR HG2 . 17407 1 823 . 2 2 10 10 THR HG22 H 1 1.181 0.020 . 1 . . . A 180 THR HG2 . 17407 1 824 . 2 2 10 10 THR HG23 H 1 1.181 0.020 . 1 . . . A 180 THR HG2 . 17407 1 825 . 2 2 10 10 THR C C 13 174.365 0.400 . 1 . . . A 180 THR C . 17407 1 826 . 2 2 10 10 THR CA C 13 61.704 0.400 . 1 . . . A 180 THR CA . 17407 1 827 . 2 2 10 10 THR CB C 13 69.938 0.400 . 1 . . . A 180 THR CB . 17407 1 828 . 2 2 10 10 THR CG2 C 13 21.617 0.400 . 1 . . . A 180 THR CG2 . 17407 1 829 . 2 2 10 10 THR N N 15 116.377 0.400 . 1 . . . A 180 THR N . 17407 1 830 . 2 2 11 11 VAL H H 1 8.291 0.020 . 1 . . . A 181 VAL H . 17407 1 831 . 2 2 11 11 VAL HA H 1 4.145 0.020 . 1 . . . A 181 VAL HA . 17407 1 832 . 2 2 11 11 VAL HB H 1 2.067 0.020 . 1 . . . A 181 VAL HB . 17407 1 833 . 2 2 11 11 VAL C C 13 176.112 0.400 . 1 . . . A 181 VAL C . 17407 1 834 . 2 2 11 11 VAL CA C 13 62.223 0.400 . 1 . . . A 181 VAL CA . 17407 1 835 . 2 2 11 11 VAL CB C 13 32.948 0.400 . 1 . . . A 181 VAL CB . 17407 1 836 . 2 2 11 11 VAL CG1 C 13 20.929 0.400 . 2 . . . A 181 VAL CG1 . 17407 1 837 . 2 2 11 11 VAL N N 15 122.870 0.400 . 1 . . . A 181 VAL N . 17407 1 838 . 2 2 11 11 VAL HG11 H 1 0.922 0.020 . 2 . . . A 181 VAL HG1 . 17407 1 839 . 2 2 11 11 VAL HG12 H 1 0.922 0.020 . 2 . . . A 181 VAL HG1 . 17407 1 840 . 2 2 11 11 VAL HG13 H 1 0.922 0.020 . 2 . . . A 181 VAL HG1 . 17407 1 841 . 2 2 11 11 VAL HG21 H 1 0.922 0.020 . 2 . . . A 181 VAL HG2 . 17407 1 842 . 2 2 11 11 VAL HG22 H 1 0.922 0.020 . 2 . . . A 181 VAL HG2 . 17407 1 843 . 2 2 11 11 VAL HG23 H 1 0.922 0.020 . 2 . . . A 181 VAL HG2 . 17407 1 844 . 2 2 12 12 GLU H H 1 8.540 0.020 . 1 . . . A 182 GLU H . 17407 1 845 . 2 2 12 12 GLU HA H 1 4.273 0.020 . 1 . . . A 182 GLU HA . 17407 1 846 . 2 2 12 12 GLU C C 13 176.192 0.400 . 1 . . . A 182 GLU C . 17407 1 847 . 2 2 12 12 GLU CA C 13 56.513 0.400 . 1 . . . A 182 GLU CA . 17407 1 848 . 2 2 12 12 GLU CB C 13 30.552 0.400 . 1 . . . A 182 GLU CB . 17407 1 849 . 2 2 12 12 GLU N N 15 124.767 0.400 . 1 . . . A 182 GLU N . 17407 1 850 . 2 2 12 12 GLU HB2 H 1 2.035 0.020 . 2 . . . A 182 GLU HB2 . 17407 1 851 . 2 2 12 12 GLU HB3 H 1 1.915 0.020 . 2 . . . A 182 GLU HB3 . 17407 1 852 . 2 2 12 12 GLU HG2 H 1 2.247 0.020 . 2 . . . A 182 GLU HG2 . 17407 1 853 . 2 2 12 12 GLU HG3 H 1 2.247 0.020 . 2 . . . A 182 GLU HG3 . 17407 1 854 . 2 2 13 13 ASP H H 1 8.362 0.020 . 1 . . . A 183 ASP H . 17407 1 855 . 2 2 13 13 ASP HA H 1 4.594 0.020 . 1 . . . A 183 ASP HA . 17407 1 856 . 2 2 13 13 ASP C C 13 176.288 0.400 . 1 . . . A 183 ASP C . 17407 1 857 . 2 2 13 13 ASP CA C 13 54.531 0.400 . 1 . . . A 183 ASP CA . 17407 1 858 . 2 2 13 13 ASP CB C 13 41.300 0.400 . 1 . . . A 183 ASP CB . 17407 1 859 . 2 2 13 13 ASP N N 15 121.808 0.400 . 1 . . . A 183 ASP N . 17407 1 860 . 2 2 13 13 ASP HB2 H 1 2.686 0.020 . 2 . . . A 183 ASP HB2 . 17407 1 861 . 2 2 13 13 ASP HB3 H 1 2.623 0.020 . 2 . . . A 183 ASP HB3 . 17407 1 862 . 2 2 14 14 SER H H 1 8.224 0.020 . 1 . . . A 184 SER H . 17407 1 863 . 2 2 14 14 SER HA H 1 4.406 0.020 . 1 . . . A 184 SER HA . 17407 1 864 . 2 2 14 14 SER C C 13 174.371 0.400 . 1 . . . A 184 SER C . 17407 1 865 . 2 2 14 14 SER CA C 13 58.410 0.400 . 1 . . . A 184 SER CA . 17407 1 866 . 2 2 14 14 SER CB C 13 63.816 0.400 . 1 . . . A 184 SER CB . 17407 1 867 . 2 2 14 14 SER N N 15 115.830 0.400 . 1 . . . A 184 SER N . 17407 1 868 . 2 2 14 14 SER HB2 H 1 3.853 0.020 . 2 . . . A 184 SER HB2 . 17407 1 869 . 2 2 14 14 SER HB3 H 1 3.853 0.020 . 2 . . . A 184 SER HB3 . 17407 1 870 . 2 2 15 15 LEU H H 1 8.242 0.020 . 1 . . . A 185 LEU H . 17407 1 871 . 2 2 15 15 LEU HA H 1 4.391 0.020 . 1 . . . A 185 LEU HA . 17407 1 872 . 2 2 15 15 LEU HG H 1 1.603 0.020 . 1 . . . A 185 LEU HG . 17407 1 873 . 2 2 15 15 LEU C C 13 177.209 0.400 . 1 . . . A 185 LEU C . 17407 1 874 . 2 2 15 15 LEU CA C 13 55.185 0.400 . 1 . . . A 185 LEU CA . 17407 1 875 . 2 2 15 15 LEU CB C 13 42.209 0.400 . 1 . . . A 185 LEU CB . 17407 1 876 . 2 2 15 15 LEU CG C 13 27.004 0.400 . 1 . . . A 185 LEU CG . 17407 1 877 . 2 2 15 15 LEU CD1 C 13 25.011 0.400 . 2 . . . A 185 LEU CD1 . 17407 1 878 . 2 2 15 15 LEU CD2 C 13 23.565 0.400 . 2 . . . A 185 LEU CD2 . 17407 1 879 . 2 2 15 15 LEU N N 15 123.717 0.400 . 1 . . . A 185 LEU N . 17407 1 880 . 2 2 15 15 LEU HB2 H 1 1.670 0.020 . 2 . . . A 185 LEU HB2 . 17407 1 881 . 2 2 15 15 LEU HB3 H 1 1.595 0.020 . 2 . . . A 185 LEU HB3 . 17407 1 882 . 2 2 15 15 LEU HD11 H 1 0.906 0.020 . 2 . . . A 185 LEU HD1 . 17407 1 883 . 2 2 15 15 LEU HD12 H 1 0.906 0.020 . 2 . . . A 185 LEU HD1 . 17407 1 884 . 2 2 15 15 LEU HD13 H 1 0.906 0.020 . 2 . . . A 185 LEU HD1 . 17407 1 885 . 2 2 15 15 LEU HD21 H 1 0.840 0.020 . 2 . . . A 185 LEU HD2 . 17407 1 886 . 2 2 15 15 LEU HD22 H 1 0.840 0.020 . 2 . . . A 185 LEU HD2 . 17407 1 887 . 2 2 15 15 LEU HD23 H 1 0.840 0.020 . 2 . . . A 185 LEU HD2 . 17407 1 888 . 2 2 16 16 VAL H H 1 8.033 0.020 . 1 . . . A 186 VAL H . 17407 1 889 . 2 2 16 16 VAL HA H 1 4.097 0.020 . 1 . . . A 186 VAL HA . 17407 1 890 . 2 2 16 16 VAL HB H 1 2.050 0.020 . 1 . . . A 186 VAL HB . 17407 1 891 . 2 2 16 16 VAL C C 13 176.104 0.400 . 1 . . . A 186 VAL C . 17407 1 892 . 2 2 16 16 VAL CA C 13 62.305 0.400 . 1 . . . A 186 VAL CA . 17407 1 893 . 2 2 16 16 VAL CB C 13 32.903 0.400 . 1 . . . A 186 VAL CB . 17407 1 894 . 2 2 16 16 VAL CG1 C 13 21.234 0.400 . 2 . . . A 186 VAL CG1 . 17407 1 895 . 2 2 16 16 VAL N N 15 120.824 0.400 . 1 . . . A 186 VAL N . 17407 1 896 . 2 2 16 16 VAL HG11 H 1 0.916 0.020 . 2 . . . A 186 VAL HG1 . 17407 1 897 . 2 2 16 16 VAL HG12 H 1 0.916 0.020 . 2 . . . A 186 VAL HG1 . 17407 1 898 . 2 2 16 16 VAL HG13 H 1 0.916 0.020 . 2 . . . A 186 VAL HG1 . 17407 1 899 . 2 2 16 16 VAL HG21 H 1 0.916 0.020 . 2 . . . A 186 VAL HG2 . 17407 1 900 . 2 2 16 16 VAL HG22 H 1 0.916 0.020 . 2 . . . A 186 VAL HG2 . 17407 1 901 . 2 2 16 16 VAL HG23 H 1 0.916 0.020 . 2 . . . A 186 VAL HG2 . 17407 1 902 . 2 2 17 17 GLU H H 1 8.490 0.020 . 1 . . . A 187 GLU H . 17407 1 903 . 2 2 17 17 GLU HA H 1 4.284 0.020 . 1 . . . A 187 GLU HA . 17407 1 904 . 2 2 17 17 GLU C C 13 176.061 0.400 . 1 . . . A 187 GLU C . 17407 1 905 . 2 2 17 17 GLU CA C 13 56.419 0.400 . 1 . . . A 187 GLU CA . 17407 1 906 . 2 2 17 17 GLU CB C 13 30.625 0.400 . 1 . . . A 187 GLU CB . 17407 1 907 . 2 2 17 17 GLU N N 15 124.701 0.400 . 1 . . . A 187 GLU N . 17407 1 908 . 2 2 17 17 GLU HB2 H 1 2.032 0.020 . 2 . . . A 187 GLU HB2 . 17407 1 909 . 2 2 17 17 GLU HB3 H 1 1.911 0.020 . 2 . . . A 187 GLU HB3 . 17407 1 910 . 2 2 17 17 GLU HG2 H 1 2.230 0.020 . 2 . . . A 187 GLU HG2 . 17407 1 911 . 2 2 17 17 GLU HG3 H 1 2.230 0.020 . 2 . . . A 187 GLU HG3 . 17407 1 912 . 2 2 18 18 ASP H H 1 8.339 0.020 . 1 . . . A 188 ASP H . 17407 1 913 . 2 2 18 18 ASP HA H 1 4.563 0.020 . 1 . . . A 188 ASP HA . 17407 1 914 . 2 2 18 18 ASP C C 13 176.128 0.400 . 1 . . . A 188 ASP C . 17407 1 915 . 2 2 18 18 ASP CA C 13 54.328 0.400 . 1 . . . A 188 ASP CA . 17407 1 916 . 2 2 18 18 ASP CB C 13 41.293 0.400 . 1 . . . A 188 ASP CB . 17407 1 917 . 2 2 18 18 ASP N N 15 121.736 0.400 . 1 . . . A 188 ASP N . 17407 1 918 . 2 2 18 18 ASP HB2 H 1 2.620 0.020 . 2 . . . A 188 ASP HB2 . 17407 1 919 . 2 2 18 18 ASP HB3 H 1 2.620 0.020 . 2 . . . A 188 ASP HB3 . 17407 1 920 . 2 2 19 19 SER H H 1 8.160 0.020 . 1 . . . A 189 SER H . 17407 1 921 . 2 2 19 19 SER HA H 1 4.372 0.020 . 1 . . . A 189 SER HA . 17407 1 922 . 2 2 19 19 SER C C 13 174.304 0.400 . 1 . . . A 189 SER C . 17407 1 923 . 2 2 19 19 SER CA C 13 58.275 0.400 . 1 . . . A 189 SER CA . 17407 1 924 . 2 2 19 19 SER CB C 13 63.902 0.400 . 1 . . . A 189 SER CB . 17407 1 925 . 2 2 19 19 SER N N 15 115.684 0.400 . 1 . . . A 189 SER N . 17407 1 926 . 2 2 19 19 SER HB2 H 1 3.774 0.020 . 2 . . . A 189 SER HB2 . 17407 1 927 . 2 2 19 19 SER HB3 H 1 3.731 0.020 . 2 . . . A 189 SER HB3 . 17407 1 928 . 2 2 20 20 GLU H H 1 8.303 0.020 . 1 . . . A 190 GLU H . 17407 1 929 . 2 2 20 20 GLU HA H 1 4.239 0.020 . 1 . . . A 190 GLU HA . 17407 1 930 . 2 2 20 20 GLU C C 13 175.207 0.400 . 1 . . . A 190 GLU C . 17407 1 931 . 2 2 20 20 GLU CA C 13 56.484 0.400 . 1 . . . A 190 GLU CA . 17407 1 932 . 2 2 20 20 GLU CB C 13 30.381 0.400 . 1 . . . A 190 GLU CB . 17407 1 933 . 2 2 20 20 GLU CG C 13 36.371 0.400 . 1 . . . A 190 GLU CG . 17407 1 934 . 2 2 20 20 GLU N N 15 122.546 0.400 . 1 . . . A 190 GLU N . 17407 1 935 . 2 2 20 20 GLU HB2 H 1 1.940 0.020 . 2 . . . A 190 GLU HB2 . 17407 1 936 . 2 2 20 20 GLU HB3 H 1 1.789 0.020 . 2 . . . A 190 GLU HB3 . 17407 1 937 . 2 2 20 20 GLU HG2 H 1 2.154 0.020 . 2 . . . A 190 GLU HG2 . 17407 1 938 . 2 2 20 20 GLU HG3 H 1 2.064 0.020 . 2 . . . A 190 GLU HG3 . 17407 1 stop_ save_