data_6906 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6906 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for the Bicoid Homedomain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-11-21 _Entry.Accession_date 2005-11-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jamie Baird-Titus . M. . 6906 2 Kimber Clark-Baldwin . . . 6906 3 Vrushank Dave . . . 6906 4 Carol Caperelli . A. . 6906 5 Jun Ma . . . 6906 6 Mark Rance . . . 6906 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6906 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 310 6906 '15N chemical shifts' 76 6906 '1H chemical shifts' 478 6906 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 . . 2010-07-14 2005-11-21 update BMRB 'update DNA residue label to two-letter code' 6906 1 . . 2006-04-27 2005-11-21 original author 'original release' 6906 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6906 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16406070 _Citation.Full_citation . _Citation.Title ; The solution structure of the native K50 Bicoid homeodomain bound to the consensus TAATCC DNA-binding site ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 356 _Citation.Journal_issue 5 _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 1137 _Citation.Page_last 1151 _Citation.Year 2006 _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 Jamie Baird-Titus . M. . 6906 1 2 Kimber Clark-Baldwin . . . 6906 1 3 Vrushank Dave . . . 6906 1 4 Carol Caperelli . A. . 6906 1 5 Jun Ma . . . 6906 1 6 Mark Rance . . . 6906 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6906 _Assembly.ID 1 _Assembly.Name 'Bicoid Homeodomain Bound to DNA' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'The Bicoid Homeodomain (68 amino acids) Bound to a Consensus DNA Binding Site (Duplex 13-mer)' _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 'Bicoid Homeodomain' 1 $Bicoid_Homeodomain . . yes native no no . . . 6906 1 2 'DNA Sense Strand' 2 $DNA_Sense_Strand . . no native no no . . . 6906 1 3 'DNA Anti-sense strand' 3 $DNA_Anti-sense_strand . . no native no no . . . 6906 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Bicoid_Homeodomain _Entity.Sf_category entity _Entity.Sf_framecode Bicoid_Homeodomain _Entity.Entry_ID 6906 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name protein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPRRTRTTFTSSQIAELEQH FLQGRYLTAPRLADLSAKLA LGTAQVKIWFKNRRRRHKIQ SDQHKDQS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'First residue (N-terminal glycine) is residue 0. Last residue (C-terminal serine) is residue 67' _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 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; 68 amino acids 1 extra N-terminal glycine 7 extra C-terminal amino acids native to the bicoid protein (DQHKDQS) ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1ZQ3 . "Nmr Solution Structure Of The Bicoid Homeodomain Bound To The Consensus Dna Binding Site Taatcc" . . . . . 100.00 68 100.00 100.00 8.88e-41 . . . . 6906 1 2 no EMBL CAA30720 . "bcd [Drosophila melanogaster]" . . . . . 98.53 494 100.00 100.00 2.03e-37 . . . . 6906 1 3 no EMBL CAA32627 . "unnamed protein product [Drosophila melanogaster]" . . . . . 98.53 489 100.00 100.00 1.78e-37 . . . . 6906 1 4 no EMBL CAA39267 . "unnamed protein product [Drosophila pseudoobscura]" . . . . . 98.53 538 100.00 100.00 2.57e-37 . . . . 6906 1 5 no EMBL CAB37631 . "unnamed protein product [Drosophila melanogaster]" . . . . . 98.53 494 100.00 100.00 1.89e-37 . . . . 6906 1 6 no GB AAA28391 . "segmentation protein, partial [Drosophila melanogaster]" . . . . . 88.24 71 100.00 100.00 3.41e-34 . . . . 6906 1 7 no GB AAD19798 . "DNA-binding-protein,transcription-factor [Drosophila melanogaster]" . . . . . 98.53 494 100.00 100.00 1.95e-37 . . . . 6906 1 8 no GB AAF54085 . "bicoid, isoform G [Drosophila melanogaster]" . . . . . 98.53 494 100.00 100.00 1.95e-37 . . . . 6906 1 9 no GB AAL13887 . "LD36304p [Drosophila melanogaster]" . . . . . 98.53 489 100.00 100.00 1.86e-37 . . . . 6906 1 10 no GB AAL73985 . "bicoid protein [Drosophila simulans]" . . . . . 98.53 489 100.00 100.00 1.84e-37 . . . . 6906 1 11 no REF NP_731111 . "bicoid, isoform D [Drosophila melanogaster]" . . . . . 98.53 489 100.00 100.00 1.86e-37 . . . . 6906 1 12 no REF NP_731113 . "bicoid, isoform E [Drosophila melanogaster]" . . . . . 98.53 418 100.00 100.00 6.65e-38 . . . . 6906 1 13 no REF NP_788587 . "bicoid, isoform G [Drosophila melanogaster]" . . . . . 98.53 494 100.00 100.00 1.95e-37 . . . . 6906 1 14 no REF NP_788588 . "bicoid, isoform F [Drosophila melanogaster]" . . . . . 98.53 413 100.00 100.00 6.19e-38 . . . . 6906 1 15 no REF XP_001359217 . "bicoid, isoform A [Drosophila pseudoobscura pseudoobscura]" . . . . . 98.53 536 100.00 100.00 2.52e-37 . . . . 6906 1 16 no SP P09081 . "RecName: Full=Homeotic protein bicoid; AltName: Full=PRD-4 [Drosophila melanogaster]" . . . . . 98.53 494 100.00 100.00 1.95e-37 . . . . 6906 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 0 GLY . 6906 1 2 1 PRO . 6906 1 3 2 ARG . 6906 1 4 3 ARG . 6906 1 5 4 THR . 6906 1 6 5 ARG . 6906 1 7 6 THR . 6906 1 8 7 THR . 6906 1 9 8 PHE . 6906 1 10 9 THR . 6906 1 11 10 SER . 6906 1 12 11 SER . 6906 1 13 12 GLN . 6906 1 14 13 ILE . 6906 1 15 14 ALA . 6906 1 16 15 GLU . 6906 1 17 16 LEU . 6906 1 18 17 GLU . 6906 1 19 18 GLN . 6906 1 20 19 HIS . 6906 1 21 20 PHE . 6906 1 22 21 LEU . 6906 1 23 22 GLN . 6906 1 24 23 GLY . 6906 1 25 24 ARG . 6906 1 26 25 TYR . 6906 1 27 26 LEU . 6906 1 28 27 THR . 6906 1 29 28 ALA . 6906 1 30 29 PRO . 6906 1 31 30 ARG . 6906 1 32 31 LEU . 6906 1 33 32 ALA . 6906 1 34 33 ASP . 6906 1 35 34 LEU . 6906 1 36 35 SER . 6906 1 37 36 ALA . 6906 1 38 37 LYS . 6906 1 39 38 LEU . 6906 1 40 39 ALA . 6906 1 41 40 LEU . 6906 1 42 41 GLY . 6906 1 43 42 THR . 6906 1 44 43 ALA . 6906 1 45 44 GLN . 6906 1 46 45 VAL . 6906 1 47 46 LYS . 6906 1 48 47 ILE . 6906 1 49 48 TRP . 6906 1 50 49 PHE . 6906 1 51 50 LYS . 6906 1 52 51 ASN . 6906 1 53 52 ARG . 6906 1 54 53 ARG . 6906 1 55 54 ARG . 6906 1 56 55 ARG . 6906 1 57 56 HIS . 6906 1 58 57 LYS . 6906 1 59 58 ILE . 6906 1 60 59 GLN . 6906 1 61 60 SER . 6906 1 62 61 ASP . 6906 1 63 62 GLN . 6906 1 64 63 HIS . 6906 1 65 64 LYS . 6906 1 66 65 ASP . 6906 1 67 66 GLN . 6906 1 68 67 SER . 6906 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6906 1 . PRO 2 2 6906 1 . ARG 3 3 6906 1 . ARG 4 4 6906 1 . THR 5 5 6906 1 . ARG 6 6 6906 1 . THR 7 7 6906 1 . THR 8 8 6906 1 . PHE 9 9 6906 1 . THR 10 10 6906 1 . SER 11 11 6906 1 . SER 12 12 6906 1 . GLN 13 13 6906 1 . ILE 14 14 6906 1 . ALA 15 15 6906 1 . GLU 16 16 6906 1 . LEU 17 17 6906 1 . GLU 18 18 6906 1 . GLN 19 19 6906 1 . HIS 20 20 6906 1 . PHE 21 21 6906 1 . LEU 22 22 6906 1 . GLN 23 23 6906 1 . GLY 24 24 6906 1 . ARG 25 25 6906 1 . TYR 26 26 6906 1 . LEU 27 27 6906 1 . THR 28 28 6906 1 . ALA 29 29 6906 1 . PRO 30 30 6906 1 . ARG 31 31 6906 1 . LEU 32 32 6906 1 . ALA 33 33 6906 1 . ASP 34 34 6906 1 . LEU 35 35 6906 1 . SER 36 36 6906 1 . ALA 37 37 6906 1 . LYS 38 38 6906 1 . LEU 39 39 6906 1 . ALA 40 40 6906 1 . LEU 41 41 6906 1 . GLY 42 42 6906 1 . THR 43 43 6906 1 . ALA 44 44 6906 1 . GLN 45 45 6906 1 . VAL 46 46 6906 1 . LYS 47 47 6906 1 . ILE 48 48 6906 1 . TRP 49 49 6906 1 . PHE 50 50 6906 1 . LYS 51 51 6906 1 . ASN 52 52 6906 1 . ARG 53 53 6906 1 . ARG 54 54 6906 1 . ARG 55 55 6906 1 . ARG 56 56 6906 1 . HIS 57 57 6906 1 . LYS 58 58 6906 1 . ILE 59 59 6906 1 . GLN 60 60 6906 1 . SER 61 61 6906 1 . ASP 62 62 6906 1 . GLN 63 63 6906 1 . HIS 64 64 6906 1 . LYS 65 65 6906 1 . ASP 66 66 6906 1 . GLN 67 67 6906 1 . SER 68 68 6906 1 stop_ save_ save_DNA_Sense_Strand _Entity.Sf_category entity _Entity.Sf_framecode DNA_Sense_Strand _Entity.Entry_ID 6906 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'DNA Sense Strand' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GCTCTAATCCCCG _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 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . DG . 6906 2 2 . DC . 6906 2 3 . DT . 6906 2 4 . DC . 6906 2 5 . DT . 6906 2 6 . DA . 6906 2 7 . DA . 6906 2 8 . DT . 6906 2 9 . DC . 6906 2 10 . DC . 6906 2 11 . DC . 6906 2 12 . DC . 6906 2 13 . DG . 6906 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 . DG 1 1 6906 2 . DC 2 2 6906 2 . DT 3 3 6906 2 . DC 4 4 6906 2 . DT 5 5 6906 2 . DA 6 6 6906 2 . DA 7 7 6906 2 . DT 8 8 6906 2 . DC 9 9 6906 2 . DC 10 10 6906 2 . DC 11 11 6906 2 . DC 12 12 6906 2 . DG 13 13 6906 2 stop_ save_ save_DNA_Anti-sense_strand _Entity.Sf_category entity _Entity.Sf_framecode DNA_Anti-sense_strand _Entity.Entry_ID 6906 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name 'DNA Anti-Sense Strand' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code CGAGATTAGGGGC _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 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . DC . 6906 3 2 . DG . 6906 3 3 . DA . 6906 3 4 . DG . 6906 3 5 . DA . 6906 3 6 . DT . 6906 3 7 . DT . 6906 3 8 . DA . 6906 3 9 . DG . 6906 3 10 . DG . 6906 3 11 . DG . 6906 3 12 . DG . 6906 3 13 . DC . 6906 3 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 . DC 1 1 6906 3 . DG 2 2 6906 3 . DA 3 3 6906 3 . DG 4 4 6906 3 . DA 5 5 6906 3 . DT 6 6 6906 3 . DT 7 7 6906 3 . DA 8 8 6906 3 . DG 9 9 6906 3 . DG 10 10 6906 3 . DG 11 11 6906 3 . DG 12 12 6906 3 . DC 13 13 6906 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6906 _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 $Bicoid_Homeodomain . 7227 organism . 'Drosophila melanogaster' 'Fruit Fly' . . Eukaryota Metazoa Drosophila Melanogaster . . . . . . . . . . . . . . . . . . . . . 6906 1 2 2 $DNA_Sense_Strand . . . no . . . . . . . . . . . . . . . . . . . . . . . . . . 'no natural source' . . 6906 1 3 3 $DNA_Anti-sense_strand . . . no . . . . . . . . . . . . . . . . . . . . . . . . . . 'no natural source' . . 6906 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 6906 _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 $Bicoid_Homeodomain . 'recombinant technology' . 'E. Coli' BL21* . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 6906 1 2 2 $DNA_Sense_Strand . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . www.idtdna.com . . 6906 1 3 3 $DNA_Anti-sense_strand . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . www.idtdna.com . . 6906 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6906 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Bicoid Homeodomain' '[U-95% 13C; U-90% 15N]' . . 1 $Bicoid_Homeodomain . protein 0.8 0.6 1 mM 0.2 . . . 6906 1 2 'DNA Sense Strand' unlabeled . . 2 $DNA_Sense_Strand . DNA 0.8 0.6 1 mM 0.2 . . . 6906 1 3 'DNA Anti-sense strand' unlabeled . . 3 $DNA_Anti-sense_strand . DNA 0.8 0.6 1 mM 0.2 . . . 6906 1 4 'Phosphate buffer' . . . . . . buffer 10 . . mM . . . . 6906 1 5 DTT . . . . . . 'reducing agent' 1 . . mM . . . . 6906 1 6 PMSF . . . . . . 'protease inhibitor' 1 . . mM . . . . 6906 1 7 'Roche Complete Protease Inhibitor Cocktail' . . . . . . 'protease inhibitor' . . . . . . . . 6906 1 8 Leupeptin . . . . . . 'protease inhibitor' 0.3 . . mM . . . . 6906 1 9 'Roche PefaBloc' . . . . . . 'protease inhibitor' 0.2 . . mM . . . . 6906 1 10 EDTA . . . . . . 'chelating agent' 1 . . mM . . . . 6906 1 11 'sodium azide' . . . . . . 'antimicrobial agent' 0.1 . . mM . . . . 6906 1 12 D2O . . . . . . solvent 10 . . % . . . . 6906 1 13 H2O . . . . . . solvent 90 . . % . . . . 6906 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6906 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 10% D2O 90% H2O ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.1 pH 6906 1 temperature 295 1 K 6906 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6906 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 6906 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 6906 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6906 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 3D-HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6906 1 2 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6906 1 3 HNCACO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6906 1 4 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6906 1 5 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6906 1 6 HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6906 1 7 HBHA(CBCACO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6906 1 8 H(CCO)NH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6906 1 9 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6906 1 10 '15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6906 1 11 '13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6906 1 12 '2D-15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6906 1 13 '15N HMQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6906 1 14 HMQC-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6906 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6906 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6906 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6906 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6906 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6906 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6906 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 GLY HA2 H 1 4.042 0.02 . 9 . . . . 0 GLY HA2 . 6906 1 2 . 1 1 1 1 GLY CA C 13 43.45 0.2 . 9 . . . . 0 GLY CA . 6906 1 3 . 1 1 2 2 PRO HA H 1 4.5 0.02 . 9 . . . . 1 PRO HA . 6906 1 4 . 1 1 2 2 PRO HB2 H 1 2.355 0.02 . 9 . . . . 1 PRO HB2 . 6906 1 5 . 1 1 2 2 PRO HB3 H 1 1.985 0.02 . 9 . . . . 1 PRO HB3 . 6906 1 6 . 1 1 2 2 PRO HG3 H 1 2.064 0.02 . 9 . . . . 1 PRO HG3 . 6906 1 7 . 1 1 2 2 PRO HD2 H 1 3.671 0.02 . 9 . . . . 1 PRO HD2 . 6906 1 8 . 1 1 2 2 PRO HD3 H 1 3.59 0.02 . 9 . . . . 1 PRO HD3 . 6906 1 9 . 1 1 2 2 PRO C C 13 176.7 0.2 . 9 . . . . 1 PRO C . 6906 1 10 . 1 1 2 2 PRO CA C 13 63.09 0.2 . 9 . . . . 1 PRO CA . 6906 1 11 . 1 1 2 2 PRO CB C 13 32.4 0.2 . 9 . . . . 1 PRO CB . 6906 1 12 . 1 1 2 2 PRO CG C 13 27.12 0.2 . 9 . . . . 1 PRO CG . 6906 1 13 . 1 1 2 2 PRO CD C 13 49.72 0.2 . 9 . . . . 1 PRO CD . 6906 1 14 . 1 1 3 3 ARG H H 1 8.663 0.02 . 9 . . . . 2 ARG H . 6906 1 15 . 1 1 3 3 ARG HA H 1 4.452 0.02 . 9 . . . . 2 ARG HA . 6906 1 16 . 1 1 3 3 ARG HB2 H 1 2.34 0.02 . 9 . . . . 2 ARG HB2 . 6906 1 17 . 1 1 3 3 ARG HB3 H 1 1.88 0.02 . 9 . . . . 2 ARG HB3 . 6906 1 18 . 1 1 3 3 ARG HG2 H 1 1.776 0.02 . 9 . . . . 2 ARG HG2 . 6906 1 19 . 1 1 3 3 ARG HD2 H 1 3.298 0.02 . 9 . . . . 2 ARG HD2 . 6906 1 20 . 1 1 3 3 ARG C C 13 176.5 0.2 . 9 . . . . 2 ARG C . 6906 1 21 . 1 1 3 3 ARG CA C 13 56.2 0.2 . 9 . . . . 2 ARG CA . 6906 1 22 . 1 1 3 3 ARG CB C 13 31.4 0.2 . 9 . . . . 2 ARG CB . 6906 1 23 . 1 1 3 3 ARG CG C 13 27.2 0.2 . 9 . . . . 2 ARG CG . 6906 1 24 . 1 1 3 3 ARG CD C 13 43.7 0.2 . 9 . . . . 2 ARG CD . 6906 1 25 . 1 1 3 3 ARG N N 15 122.1 0.2 . 9 . . . . 2 ARG N . 6906 1 26 . 1 1 4 4 ARG H H 1 8.895 0.02 . 9 . . . . 3 ARG H . 6906 1 27 . 1 1 4 4 ARG HA H 1 4.492 0.02 . 9 . . . . 3 ARG HA . 6906 1 28 . 1 1 4 4 ARG HB2 H 1 1.96 0.02 . 9 . . . . 3 ARG HB2 . 6906 1 29 . 1 1 4 4 ARG HB3 H 1 1.73 0.02 . 9 . . . . 3 ARG HB3 . 6906 1 30 . 1 1 4 4 ARG HG2 H 1 1.755 0.02 . 9 . . . . 3 ARG HG2 . 6906 1 31 . 1 1 4 4 ARG HD2 H 1 3.305 0.02 . 9 . . . . 3 ARG HD2 . 6906 1 32 . 1 1 4 4 ARG HD3 H 1 3.172 0.02 . 9 . . . . 3 ARG HD3 . 6906 1 33 . 1 1 4 4 ARG C C 13 175.839 0.2 . 9 . . . . 3 ARG C . 6906 1 34 . 1 1 4 4 ARG CA C 13 56 0.2 . 9 . . . . 3 ARG CA . 6906 1 35 . 1 1 4 4 ARG CB C 13 32.2 0.2 . 9 . . . . 3 ARG CB . 6906 1 36 . 1 1 4 4 ARG CG C 13 26.85 0.2 . 9 . . . . 3 ARG CG . 6906 1 37 . 1 1 4 4 ARG CD C 13 44.8 0.2 . 9 . . . . 3 ARG CD . 6906 1 38 . 1 1 4 4 ARG N N 15 124.278 0.2 . 9 . . . . 3 ARG N . 6906 1 39 . 1 1 5 5 THR H H 1 8.387 0.02 . 9 . . . . 4 THR H . 6906 1 40 . 1 1 5 5 THR HA H 1 4.475 0.02 . 9 . . . . 4 THR HA . 6906 1 41 . 1 1 5 5 THR HB H 1 4.12 0.02 . 9 . . . . 4 THR HB . 6906 1 42 . 1 1 5 5 THR HG21 H 1 1.19 0.02 . 9 . . . . 4 THR HG2 . 6906 1 43 . 1 1 5 5 THR HG22 H 1 1.19 0.02 . 9 . . . . 4 THR HG2 . 6906 1 44 . 1 1 5 5 THR HG23 H 1 1.19 0.02 . 9 . . . . 4 THR HG2 . 6906 1 45 . 1 1 5 5 THR C C 13 173.3 0.2 . 9 . . . . 4 THR C . 6906 1 46 . 1 1 5 5 THR CA C 13 61.3 0.2 . 9 . . . . 4 THR CA . 6906 1 47 . 1 1 5 5 THR CB C 13 70.5 0.2 . 9 . . . . 4 THR CB . 6906 1 48 . 1 1 5 5 THR CG2 C 13 21.3 0.2 . 9 . . . . 4 THR CG2 . 6906 1 49 . 1 1 5 5 THR N N 15 116.4 0.2 . 9 . . . . 4 THR N . 6906 1 50 . 1 1 6 6 ARG H H 1 8.725 0.02 . 9 . . . . 5 ARG H . 6906 1 51 . 1 1 6 6 ARG HA H 1 4.585 0.02 . 9 . . . . 5 ARG HA . 6906 1 52 . 1 1 6 6 ARG HB2 H 1 1.57 0.02 . 9 . . . . 5 ARG HB2 . 6906 1 53 . 1 1 6 6 ARG HG2 H 1 1.365 0.02 . 9 . . . . 5 ARG HG2 . 6906 1 54 . 1 1 6 6 ARG HD2 H 1 2.995 0.02 . 9 . . . . 5 ARG HD2 . 6906 1 55 . 1 1 6 6 ARG HD3 H 1 2.91 0.02 . 9 . . . . 5 ARG HD3 . 6906 1 56 . 1 1 6 6 ARG C C 13 174.5 0.2 . 9 . . . . 5 ARG C . 6906 1 57 . 1 1 6 6 ARG CA C 13 55.75 0.2 . 9 . . . . 5 ARG CA . 6906 1 58 . 1 1 6 6 ARG CB C 13 33.8 0.2 . 9 . . . . 5 ARG CB . 6906 1 59 . 1 1 6 6 ARG CG C 13 28 0.2 . 9 . . . . 5 ARG CG . 6906 1 60 . 1 1 6 6 ARG CD C 13 43.86 0.2 . 9 . . . . 5 ARG CD . 6906 1 61 . 1 1 6 6 ARG N N 15 122.5 0.2 . 9 . . . . 5 ARG N . 6906 1 62 . 1 1 7 7 THR H H 1 7.82 0.02 . 9 . . . . 6 THR H . 6906 1 63 . 1 1 7 7 THR HA H 1 3.99 0.02 . 9 . . . . 6 THR HA . 6906 1 64 . 1 1 7 7 THR HB H 1 3.543 0.02 . 9 . . . . 6 THR HB . 6906 1 65 . 1 1 7 7 THR HG21 H 1 0.57 0.02 . 9 . . . . 6 THR HG2 . 6906 1 66 . 1 1 7 7 THR HG22 H 1 0.57 0.02 . 9 . . . . 6 THR HG2 . 6906 1 67 . 1 1 7 7 THR HG23 H 1 0.57 0.02 . 9 . . . . 6 THR HG2 . 6906 1 68 . 1 1 7 7 THR C C 13 172.73 0.2 . 9 . . . . 6 THR C . 6906 1 69 . 1 1 7 7 THR CA C 13 64.1 0.2 . 9 . . . . 6 THR CA . 6906 1 70 . 1 1 7 7 THR CB C 13 69.15 0.2 . 9 . . . . 6 THR CB . 6906 1 71 . 1 1 7 7 THR CG2 C 13 20.6 0.2 . 9 . . . . 6 THR CG2 . 6906 1 72 . 1 1 7 7 THR N N 15 125.603 0.2 . 9 . . . . 6 THR N . 6906 1 73 . 1 1 8 8 THR H H 1 8.424 0.02 . 9 . . . . 7 THR H . 6906 1 74 . 1 1 8 8 THR HA H 1 4.355 0.02 . 9 . . . . 7 THR HA . 6906 1 75 . 1 1 8 8 THR HB H 1 4.005 0.02 . 9 . . . . 7 THR HB . 6906 1 76 . 1 1 8 8 THR HG21 H 1 1.189 0.02 . 9 . . . . 7 THR HG2 . 6906 1 77 . 1 1 8 8 THR HG22 H 1 1.189 0.02 . 9 . . . . 7 THR HG2 . 6906 1 78 . 1 1 8 8 THR HG23 H 1 1.189 0.02 . 9 . . . . 7 THR HG2 . 6906 1 79 . 1 1 8 8 THR C C 13 174.6 0.2 . 9 . . . . 7 THR C . 6906 1 80 . 1 1 8 8 THR CA C 13 61.07 0.2 . 9 . . . . 7 THR CA . 6906 1 81 . 1 1 8 8 THR CB C 13 69.2 0.2 . 9 . . . . 7 THR CB . 6906 1 82 . 1 1 8 8 THR CG2 C 13 21.76 0.2 . 9 . . . . 7 THR CG2 . 6906 1 83 . 1 1 8 8 THR N N 15 121.5 0.2 . 9 . . . . 7 THR N . 6906 1 84 . 1 1 9 9 PHE H H 1 8.745 0.02 . 9 . . . . 8 PHE H . 6906 1 85 . 1 1 9 9 PHE HA H 1 4.798 0.02 . 9 . . . . 8 PHE HA . 6906 1 86 . 1 1 9 9 PHE HB2 H 1 3.185 0.02 . 9 . . . . 8 PHE HB2 . 6906 1 87 . 1 1 9 9 PHE HB3 H 1 2.84 0.02 . 9 . . . . 8 PHE HB3 . 6906 1 88 . 1 1 9 9 PHE HD1 H 1 7.394 0.02 . 9 . . . . 8 PHE HD1 . 6906 1 89 . 1 1 9 9 PHE HD2 H 1 7.394 0.02 . 9 . . . . 8 PHE HD2 . 6906 1 90 . 1 1 9 9 PHE HE1 H 1 7.51 0.02 . 9 . . . . 8 PHE HE1 . 6906 1 91 . 1 1 9 9 PHE HE2 H 1 7.51 0.02 . 9 . . . . 8 PHE HE2 . 6906 1 92 . 1 1 9 9 PHE HZ H 1 7.63 0.02 . 9 . . . . 8 PHE HZ . 6906 1 93 . 1 1 9 9 PHE C C 13 176.621 0.2 . 9 . . . . 8 PHE C . 6906 1 94 . 1 1 9 9 PHE CA C 13 58.23 0.2 . 9 . . . . 8 PHE CA . 6906 1 95 . 1 1 9 9 PHE CB C 13 40.43 0.2 . 9 . . . . 8 PHE CB . 6906 1 96 . 1 1 9 9 PHE CD1 C 13 131.3 0.2 . 9 . . . . 8 PHE CD1 . 6906 1 97 . 1 1 9 9 PHE CD2 C 13 131.3 0.2 . 9 . . . . 8 PHE CD2 . 6906 1 98 . 1 1 9 9 PHE CE1 C 13 131.3 0.2 . 9 . . . . 8 PHE CE1 . 6906 1 99 . 1 1 9 9 PHE CE2 C 13 131.3 0.2 . 9 . . . . 8 PHE CE2 . 6906 1 100 . 1 1 9 9 PHE CZ C 13 129.2 0.2 . 9 . . . . 8 PHE CZ . 6906 1 101 . 1 1 9 9 PHE N N 15 108.529 0.2 . 9 . . . . 8 PHE N . 6906 1 102 . 1 1 10 10 THR H H 1 8.993 0.02 . 9 . . . . 9 THR H . 6906 1 103 . 1 1 10 10 THR HA H 1 4.575 0.02 . 9 . . . . 9 THR HA . 6906 1 104 . 1 1 10 10 THR HB H 1 4.81 0.02 . 9 . . . . 9 THR HB . 6906 1 105 . 1 1 10 10 THR HG21 H 1 1.355 0.02 . 9 . . . . 9 THR HG2 . 6906 1 106 . 1 1 10 10 THR HG22 H 1 1.355 0.02 . 9 . . . . 9 THR HG2 . 6906 1 107 . 1 1 10 10 THR HG23 H 1 1.355 0.02 . 9 . . . . 9 THR HG2 . 6906 1 108 . 1 1 10 10 THR C C 13 175.776 0.2 . 9 . . . . 9 THR C . 6906 1 109 . 1 1 10 10 THR CA C 13 60.48 0.2 . 9 . . . . 9 THR CA . 6906 1 110 . 1 1 10 10 THR CB C 13 70.85 0.2 . 9 . . . . 9 THR CB . 6906 1 111 . 1 1 10 10 THR CG2 C 13 21.78 0.2 . 9 . . . . 9 THR CG2 . 6906 1 112 . 1 1 10 10 THR N N 15 113.49 0.2 . 9 . . . . 9 THR N . 6906 1 113 . 1 1 11 11 SER H H 1 9.217 0.02 . 9 . . . . 10 SER H . 6906 1 114 . 1 1 11 11 SER HA H 1 4.192 0.02 . 9 . . . . 10 SER HA . 6906 1 115 . 1 1 11 11 SER HB2 H 1 4 0.02 . 9 . . . . 10 SER HB2 . 6906 1 116 . 1 1 11 11 SER C C 13 177.9 0.2 . 9 . . . . 10 SER C . 6906 1 117 . 1 1 11 11 SER CA C 13 62 0.2 . 9 . . . . 10 SER CA . 6906 1 118 . 1 1 11 11 SER CB C 13 62 0.2 . 9 . . . . 10 SER CB . 6906 1 119 . 1 1 11 11 SER N N 15 116.5 0.2 . 9 . . . . 10 SER N . 6906 1 120 . 1 1 12 12 SER H H 1 8.32 0.02 . 9 . . . . 11 SER H . 6906 1 121 . 1 1 12 12 SER HA H 1 4.316 0.02 . 9 . . . . 11 SER HA . 6906 1 122 . 1 1 12 12 SER HB2 H 1 3.899 0.02 . 9 . . . . 11 SER HB2 . 6906 1 123 . 1 1 12 12 SER C C 13 177.083 0.2 . 9 . . . . 11 SER C . 6906 1 124 . 1 1 12 12 SER CA C 13 61.4 0.2 . 9 . . . . 11 SER CA . 6906 1 125 . 1 1 12 12 SER CB C 13 62.4 0.2 . 9 . . . . 11 SER CB . 6906 1 126 . 1 1 12 12 SER N N 15 117.28 0.2 . 9 . . . . 11 SER N . 6906 1 127 . 1 1 13 13 GLN H H 1 7.774 0.02 . 9 . . . . 12 GLN H . 6906 1 128 . 1 1 13 13 GLN HA H 1 3.95 0.02 . 9 . . . . 12 GLN HA . 6906 1 129 . 1 1 13 13 GLN HB2 H 1 1.628 0.02 . 9 . . . . 12 GLN HB2 . 6906 1 130 . 1 1 13 13 GLN HB3 H 1 2.735 0.02 . 9 . . . . 12 GLN HB3 . 6906 1 131 . 1 1 13 13 GLN HG2 H 1 2.716 0.02 . 9 . . . . 12 GLN HG2 . 6906 1 132 . 1 1 13 13 GLN HG3 H 1 2.39 0.02 . 9 . . . . 12 GLN HG3 . 6906 1 133 . 1 1 13 13 GLN HE21 H 1 6.745 0.02 . 9 . . . . 12 GLN HE21 . 6906 1 134 . 1 1 13 13 GLN HE22 H 1 7.63 0.02 . 9 . . . . 12 GLN HE22 . 6906 1 135 . 1 1 13 13 GLN C C 13 177.631 0.2 . 9 . . . . 12 GLN C . 6906 1 136 . 1 1 13 13 GLN CA C 13 59.26 0.2 . 9 . . . . 12 GLN CA . 6906 1 137 . 1 1 13 13 GLN CB C 13 27.7 0.2 . 9 . . . . 12 GLN CB . 6906 1 138 . 1 1 13 13 GLN CG C 13 35.09 0.2 . 9 . . . . 12 GLN CG . 6906 1 139 . 1 1 13 13 GLN N N 15 122.72 0.2 . 9 . . . . 12 GLN N . 6906 1 140 . 1 1 13 13 GLN NE2 N 15 110.95 0.2 . 9 . . . . 12 GLN NE2 . 6906 1 141 . 1 1 14 14 ILE H H 1 8.316 0.02 . 9 . . . . 13 ILE H . 6906 1 142 . 1 1 14 14 ILE HA H 1 3.244 0.02 . 9 . . . . 13 ILE HA . 6906 1 143 . 1 1 14 14 ILE HB H 1 1.845 0.02 . 9 . . . . 13 ILE HB . 6906 1 144 . 1 1 14 14 ILE HG12 H 1 1.21 0.02 . 9 . . . . 13 ILE HG12 . 6906 1 145 . 1 1 14 14 ILE HG13 H 1 1.675 0.02 . 9 . . . . 13 ILE HG13 . 6906 1 146 . 1 1 14 14 ILE HG21 H 1 1.026 0.02 . 9 . . . . 13 ILE HG2 . 6906 1 147 . 1 1 14 14 ILE HG22 H 1 1.026 0.02 . 9 . . . . 13 ILE HG2 . 6906 1 148 . 1 1 14 14 ILE HG23 H 1 1.026 0.02 . 9 . . . . 13 ILE HG2 . 6906 1 149 . 1 1 14 14 ILE HD11 H 1 0.86 0.02 . 9 . . . . 13 ILE HD1 . 6906 1 150 . 1 1 14 14 ILE HD12 H 1 0.86 0.02 . 9 . . . . 13 ILE HD1 . 6906 1 151 . 1 1 14 14 ILE HD13 H 1 0.86 0.02 . 9 . . . . 13 ILE HD1 . 6906 1 152 . 1 1 14 14 ILE C C 13 176.96 0.2 . 9 . . . . 13 ILE C . 6906 1 153 . 1 1 14 14 ILE CA C 13 64.5 0.2 . 9 . . . . 13 ILE CA . 6906 1 154 . 1 1 14 14 ILE CB C 13 37.5 0.2 . 9 . . . . 13 ILE CB . 6906 1 155 . 1 1 14 14 ILE CG1 C 13 28.8 0.2 . 9 . . . . 13 ILE CG1 . 6906 1 156 . 1 1 14 14 ILE CG2 C 13 17.7 0.2 . 9 . . . . 13 ILE CG2 . 6906 1 157 . 1 1 14 14 ILE CD1 C 13 12.7 0.2 . 9 . . . . 13 ILE CD1 . 6906 1 158 . 1 1 14 14 ILE N N 15 117.93 0.2 . 9 . . . . 13 ILE N . 6906 1 159 . 1 1 15 15 ALA H H 1 7.864 0.02 . 9 . . . . 14 ALA H . 6906 1 160 . 1 1 15 15 ALA HA H 1 4.1 0.02 . 9 . . . . 14 ALA HA . 6906 1 161 . 1 1 15 15 ALA HB1 H 1 1.496 0.02 . 9 . . . . 14 ALA HB . 6906 1 162 . 1 1 15 15 ALA HB2 H 1 1.496 0.02 . 9 . . . . 14 ALA HB . 6906 1 163 . 1 1 15 15 ALA HB3 H 1 1.496 0.02 . 9 . . . . 14 ALA HB . 6906 1 164 . 1 1 15 15 ALA C C 13 181 0.2 . 9 . . . . 14 ALA C . 6906 1 165 . 1 1 15 15 ALA CA C 13 55.2 0.2 . 9 . . . . 14 ALA CA . 6906 1 166 . 1 1 15 15 ALA CB C 13 17.9 0.2 . 9 . . . . 14 ALA CB . 6906 1 167 . 1 1 15 15 ALA N N 15 119.7 0.2 . 9 . . . . 14 ALA N . 6906 1 168 . 1 1 16 16 GLU H H 1 7.588 0.02 . 9 . . . . 15 GLU H . 6906 1 169 . 1 1 16 16 GLU HA H 1 4.165 0.02 . 9 . . . . 15 GLU HA . 6906 1 170 . 1 1 16 16 GLU HB2 H 1 2.112 0.02 . 9 . . . . 15 GLU HB2 . 6906 1 171 . 1 1 16 16 GLU HB3 H 1 2.03 0.02 . 9 . . . . 15 GLU HB3 . 6906 1 172 . 1 1 16 16 GLU HG2 H 1 2.29 0.02 . 9 . . . . 15 GLU HG2 . 6906 1 173 . 1 1 16 16 GLU C C 13 179.3 0.2 . 9 . . . . 15 GLU C . 6906 1 174 . 1 1 16 16 GLU CA C 13 59.21 0.2 . 9 . . . . 15 GLU CA . 6906 1 175 . 1 1 16 16 GLU CB C 13 30.1 0.2 . 9 . . . . 15 GLU CB . 6906 1 176 . 1 1 16 16 GLU CG C 13 35.9 0.2 . 9 . . . . 15 GLU CG . 6906 1 177 . 1 1 16 16 GLU N N 15 118.3 0.2 . 9 . . . . 15 GLU N . 6906 1 178 . 1 1 17 17 LEU H H 1 8.49 0.02 . 9 . . . . 16 LEU H . 6906 1 179 . 1 1 17 17 LEU HA H 1 3.515 0.02 . 9 . . . . 16 LEU HA . 6906 1 180 . 1 1 17 17 LEU HB2 H 1 0.67 0.02 . 9 . . . . 16 LEU HB2 . 6906 1 181 . 1 1 17 17 LEU HB3 H 1 -1.02 0.02 . 9 . . . . 16 LEU HB3 . 6906 1 182 . 1 1 17 17 LEU HG H 1 1.077 0.02 . 9 . . . . 16 LEU HG . 6906 1 183 . 1 1 17 17 LEU HD11 H 1 -0.83 0.02 . 9 . . . . 16 LEU HD1 . 6906 1 184 . 1 1 17 17 LEU HD12 H 1 -0.83 0.02 . 9 . . . . 16 LEU HD1 . 6906 1 185 . 1 1 17 17 LEU HD13 H 1 -0.83 0.02 . 9 . . . . 16 LEU HD1 . 6906 1 186 . 1 1 17 17 LEU HD21 H 1 0.435 0.02 . 9 . . . . 16 LEU HD2 . 6906 1 187 . 1 1 17 17 LEU HD22 H 1 0.435 0.02 . 9 . . . . 16 LEU HD2 . 6906 1 188 . 1 1 17 17 LEU HD23 H 1 0.435 0.02 . 9 . . . . 16 LEU HD2 . 6906 1 189 . 1 1 17 17 LEU C C 13 178.2 0.2 . 9 . . . . 16 LEU C . 6906 1 190 . 1 1 17 17 LEU CA C 13 59.4 0.2 . 9 . . . . 16 LEU CA . 6906 1 191 . 1 1 17 17 LEU CB C 13 37.6 0.2 . 9 . . . . 16 LEU CB . 6906 1 192 . 1 1 17 17 LEU CG C 13 26.2 0.2 . 9 . . . . 16 LEU CG . 6906 1 193 . 1 1 17 17 LEU CD1 C 13 22.7 0.2 . 9 . . . . 16 LEU CD1 . 6906 1 194 . 1 1 17 17 LEU CD2 C 13 23.1 0.2 . 9 . . . . 16 LEU CD2 . 6906 1 195 . 1 1 17 17 LEU N N 15 124 0.2 . 9 . . . . 16 LEU N . 6906 1 196 . 1 1 18 18 GLU H H 1 8.594 0.02 . 9 . . . . 17 GLU H . 6906 1 197 . 1 1 18 18 GLU HA H 1 4.32 0.02 . 9 . . . . 17 GLU HA . 6906 1 198 . 1 1 18 18 GLU HB2 H 1 2.19 0.02 . 9 . . . . 17 GLU HB2 . 6906 1 199 . 1 1 18 18 GLU HB3 H 1 2.035 0.02 . 9 . . . . 17 GLU HB3 . 6906 1 200 . 1 1 18 18 GLU HG2 H 1 2.49 0.02 . 9 . . . . 17 GLU HG2 . 6906 1 201 . 1 1 18 18 GLU HG3 H 1 2.4 0.02 . 9 . . . . 17 GLU HG3 . 6906 1 202 . 1 1 18 18 GLU C C 13 179.677 0.2 . 9 . . . . 17 GLU C . 6906 1 203 . 1 1 18 18 GLU CA C 13 59.4 0.2 . 9 . . . . 17 GLU CA . 6906 1 204 . 1 1 18 18 GLU CB C 13 29.2 0.2 . 9 . . . . 17 GLU CB . 6906 1 205 . 1 1 18 18 GLU CG C 13 34.9 0.2 . 9 . . . . 17 GLU CG . 6906 1 206 . 1 1 18 18 GLU N N 15 118.19 0.2 . 9 . . . . 17 GLU N . 6906 1 207 . 1 1 19 19 GLN H H 1 7.732 0.02 . 9 . . . . 18 GLN H . 6906 1 208 . 1 1 19 19 GLN HA H 1 4.075 0.02 . 9 . . . . 18 GLN HA . 6906 1 209 . 1 1 19 19 GLN HB2 H 1 2.118 0.02 . 9 . . . . 18 GLN HB2 . 6906 1 210 . 1 1 19 19 GLN HB3 H 1 2.25 0.02 . 9 . . . . 18 GLN HB3 . 6906 1 211 . 1 1 19 19 GLN HG2 H 1 2.41 0.02 . 9 . . . . 18 GLN HG2 . 6906 1 212 . 1 1 19 19 GLN HE21 H 1 7.405 0.02 . 9 . . . . 18 GLN HE21 . 6906 1 213 . 1 1 19 19 GLN HE22 H 1 6.8 0.02 . 9 . . . . 18 GLN HE22 . 6906 1 214 . 1 1 19 19 GLN C C 13 179.657 0.2 . 9 . . . . 18 GLN C . 6906 1 215 . 1 1 19 19 GLN CA C 13 59 0.2 . 9 . . . . 18 GLN CA . 6906 1 216 . 1 1 19 19 GLN CB C 13 28.2 0.2 . 9 . . . . 18 GLN CB . 6906 1 217 . 1 1 19 19 GLN CG C 13 33.9 0.2 . 9 . . . . 18 GLN CG . 6906 1 218 . 1 1 19 19 GLN N N 15 118.2 0.2 . 9 . . . . 18 GLN N . 6906 1 219 . 1 1 19 19 GLN NE2 N 15 112.1 0.2 . 9 . . . . 18 GLN NE2 . 6906 1 220 . 1 1 20 20 HIS H H 1 8.287 0.02 . 9 . . . . 19 HIS H . 6906 1 221 . 1 1 20 20 HIS HA H 1 4.28 0.02 . 9 . . . . 19 HIS HA . 6906 1 222 . 1 1 20 20 HIS HB2 H 1 3.382 0.02 . 9 . . . . 19 HIS HB2 . 6906 1 223 . 1 1 20 20 HIS HB3 H 1 3.215 0.02 . 9 . . . . 19 HIS HB3 . 6906 1 224 . 1 1 20 20 HIS HD2 H 1 7.138 0.02 . 9 . . . . 19 HIS HD2 . 6906 1 225 . 1 1 20 20 HIS HE1 H 1 7.031 0.02 . 9 . . . . 19 HIS HE1 . 6906 1 226 . 1 1 20 20 HIS C C 13 178.528 0.2 . 9 . . . . 19 HIS C . 6906 1 227 . 1 1 20 20 HIS CA C 13 61.13 0.2 . 9 . . . . 19 HIS CA . 6906 1 228 . 1 1 20 20 HIS CB C 13 30.1 0.2 . 9 . . . . 19 HIS CB . 6906 1 229 . 1 1 20 20 HIS CD2 C 13 121.8 0.2 . 9 . . . . 19 HIS CD2 . 6906 1 230 . 1 1 20 20 HIS CE1 C 13 128.7 0.2 . 9 . . . . 19 HIS CE1 . 6906 1 231 . 1 1 20 20 HIS N N 15 118.6 0.2 . 9 . . . . 19 HIS N . 6906 1 232 . 1 1 21 21 PHE H H 1 9.241 0.02 . 9 . . . . 20 PHE H . 6906 1 233 . 1 1 21 21 PHE HA H 1 4.396 0.02 . 9 . . . . 20 PHE HA . 6906 1 234 . 1 1 21 21 PHE HB2 H 1 3.035 0.02 . 9 . . . . 20 PHE HB2 . 6906 1 235 . 1 1 21 21 PHE HB3 H 1 3.322 0.02 . 9 . . . . 20 PHE HB3 . 6906 1 236 . 1 1 21 21 PHE HD1 H 1 6.91 0.02 . 9 . . . . 20 PHE HD1 . 6906 1 237 . 1 1 21 21 PHE HD2 H 1 6.91 0.02 . 9 . . . . 20 PHE HD2 . 6906 1 238 . 1 1 21 21 PHE HE1 H 1 7.075 0.02 . 9 . . . . 20 PHE HE1 . 6906 1 239 . 1 1 21 21 PHE HE2 H 1 7.075 0.02 . 9 . . . . 20 PHE HE2 . 6906 1 240 . 1 1 21 21 PHE HZ H 1 6.69 0.02 . 9 . . . . 20 PHE HZ . 6906 1 241 . 1 1 21 21 PHE C C 13 177.6 0.2 . 9 . . . . 20 PHE C . 6906 1 242 . 1 1 21 21 PHE CA C 13 61.7 0.2 . 9 . . . . 20 PHE CA . 6906 1 243 . 1 1 21 21 PHE CB C 13 39.2 0.2 . 9 . . . . 20 PHE CB . 6906 1 244 . 1 1 21 21 PHE CD1 C 13 132.5 0.2 . 9 . . . . 20 PHE CD1 . 6906 1 245 . 1 1 21 21 PHE CD2 C 13 132.5 0.2 . 9 . . . . 20 PHE CD2 . 6906 1 246 . 1 1 21 21 PHE CE1 C 13 130.6 0.2 . 9 . . . . 20 PHE CE1 . 6906 1 247 . 1 1 21 21 PHE CE2 C 13 130.6 0.2 . 9 . . . . 20 PHE CE2 . 6906 1 248 . 1 1 21 21 PHE CZ C 13 128.2 0.2 . 9 . . . . 20 PHE CZ . 6906 1 249 . 1 1 21 21 PHE N N 15 125.3 0.2 . 9 . . . . 20 PHE N . 6906 1 250 . 1 1 22 22 LEU H H 1 7.911 0.02 . 9 . . . . 21 LEU H . 6906 1 251 . 1 1 22 22 LEU HA H 1 4.026 0.02 . 9 . . . . 21 LEU HA . 6906 1 252 . 1 1 22 22 LEU HB2 H 1 1.944 0.02 . 9 . . . . 21 LEU HB2 . 6906 1 253 . 1 1 22 22 LEU HB3 H 1 1.618 0.02 . 9 . . . . 21 LEU HB3 . 6906 1 254 . 1 1 22 22 LEU HG H 1 2.01 0.02 . 9 . . . . 21 LEU HG . 6906 1 255 . 1 1 22 22 LEU HD11 H 1 1 0.02 . 9 . . . . 21 LEU HD1 . 6906 1 256 . 1 1 22 22 LEU HD12 H 1 1 0.02 . 9 . . . . 21 LEU HD1 . 6906 1 257 . 1 1 22 22 LEU HD13 H 1 1 0.02 . 9 . . . . 21 LEU HD1 . 6906 1 258 . 1 1 22 22 LEU HD21 H 1 0.968 0.02 . 9 . . . . 21 LEU HD2 . 6906 1 259 . 1 1 22 22 LEU HD22 H 1 0.968 0.02 . 9 . . . . 21 LEU HD2 . 6906 1 260 . 1 1 22 22 LEU HD23 H 1 0.968 0.02 . 9 . . . . 21 LEU HD2 . 6906 1 261 . 1 1 22 22 LEU C C 13 179.08 0.2 . 9 . . . . 21 LEU C . 6906 1 262 . 1 1 22 22 LEU CA C 13 57 0.2 . 9 . . . . 21 LEU CA . 6906 1 263 . 1 1 22 22 LEU CB C 13 41.9 0.2 . 9 . . . . 21 LEU CB . 6906 1 264 . 1 1 22 22 LEU CG C 13 26.86 0.2 . 9 . . . . 21 LEU CG . 6906 1 265 . 1 1 22 22 LEU CD1 C 13 25.2 0.2 . 9 . . . . 21 LEU CD1 . 6906 1 266 . 1 1 22 22 LEU CD2 C 13 23 0.2 . 9 . . . . 21 LEU CD2 . 6906 1 267 . 1 1 22 22 LEU N N 15 117.107 0.2 . 9 . . . . 21 LEU N . 6906 1 268 . 1 1 23 23 GLN H H 1 7.41 0.02 . 9 . . . . 22 GLN H . 6906 1 269 . 1 1 23 23 GLN HA H 1 4.232 0.02 . 9 . . . . 22 GLN HA . 6906 1 270 . 1 1 23 23 GLN HB2 H 1 2.204 0.02 . 9 . . . . 22 GLN HB2 . 6906 1 271 . 1 1 23 23 GLN HB3 H 1 2.306 0.02 . 9 . . . . 22 GLN HB3 . 6906 1 272 . 1 1 23 23 GLN HG2 H 1 2.559 0.02 . 9 . . . . 22 GLN HG2 . 6906 1 273 . 1 1 23 23 GLN HG3 H 1 2.409 0.02 . 9 . . . . 22 GLN HG3 . 6906 1 274 . 1 1 23 23 GLN HE21 H 1 6.728 0.02 . 9 . . . . 22 GLN HE21 . 6906 1 275 . 1 1 23 23 GLN HE22 H 1 7.325 0.02 . 9 . . . . 22 GLN HE22 . 6906 1 276 . 1 1 23 23 GLN C C 13 176.9 0.2 . 9 . . . . 22 GLN C . 6906 1 277 . 1 1 23 23 GLN CA C 13 56.55 0.2 . 9 . . . . 22 GLN CA . 6906 1 278 . 1 1 23 23 GLN CB C 13 28.8 0.2 . 9 . . . . 22 GLN CB . 6906 1 279 . 1 1 23 23 GLN CG C 13 33.94 0.2 . 9 . . . . 22 GLN CG . 6906 1 280 . 1 1 23 23 GLN N N 15 116.9 0.2 . 9 . . . . 22 GLN N . 6906 1 281 . 1 1 23 23 GLN NE2 N 15 111.9 0.2 . 9 . . . . 22 GLN NE2 . 6906 1 282 . 1 1 24 24 GLY H H 1 7.525 0.02 . 9 . . . . 23 GLY H . 6906 1 283 . 1 1 24 24 GLY HA2 H 1 4.09 0.02 . 9 . . . . 23 GLY HA2 . 6906 1 284 . 1 1 24 24 GLY HA3 H 1 3.864 0.02 . 9 . . . . 23 GLY HA3 . 6906 1 285 . 1 1 24 24 GLY C C 13 173.273 0.2 . 9 . . . . 23 GLY C . 6906 1 286 . 1 1 24 24 GLY CA C 13 47.3 0.2 . 9 . . . . 23 GLY CA . 6906 1 287 . 1 1 24 24 GLY N N 15 109.611 0.2 . 9 . . . . 23 GLY N . 6906 1 288 . 1 1 25 25 ARG H H 1 8.485 0.02 . 9 . . . . 24 ARG H . 6906 1 289 . 1 1 25 25 ARG HA H 1 3.753 0.02 . 9 . . . . 24 ARG HA . 6906 1 290 . 1 1 25 25 ARG HB2 H 1 1.345 0.02 . 9 . . . . 24 ARG HB2 . 6906 1 291 . 1 1 25 25 ARG HB3 H 1 1.136 0.02 . 9 . . . . 24 ARG HB3 . 6906 1 292 . 1 1 25 25 ARG HG2 H 1 1.15 0.02 . 9 . . . . 24 ARG HG2 . 6906 1 293 . 1 1 25 25 ARG HG3 H 1 0.228 0.02 . 9 . . . . 24 ARG HG3 . 6906 1 294 . 1 1 25 25 ARG HD2 H 1 2.655 0.02 . 9 . . . . 24 ARG HD2 . 6906 1 295 . 1 1 25 25 ARG HD3 H 1 2.606 0.02 . 9 . . . . 24 ARG HD3 . 6906 1 296 . 1 1 25 25 ARG C C 13 174.045 0.2 . 9 . . . . 24 ARG C . 6906 1 297 . 1 1 25 25 ARG CA C 13 57.9 0.2 . 9 . . . . 24 ARG CA . 6906 1 298 . 1 1 25 25 ARG CB C 13 30.6 0.2 . 9 . . . . 24 ARG CB . 6906 1 299 . 1 1 25 25 ARG CG C 13 27.2 0.2 . 9 . . . . 24 ARG CG . 6906 1 300 . 1 1 25 25 ARG CD C 13 43.85 0.2 . 9 . . . . 24 ARG CD . 6906 1 301 . 1 1 25 25 ARG N N 15 124.012 0.2 . 9 . . . . 24 ARG N . 6906 1 302 . 1 1 26 26 TYR H H 1 7.996 0.02 . 9 . . . . 25 TYR H . 6906 1 303 . 1 1 26 26 TYR HA H 1 4.663 0.02 . 9 . . . . 25 TYR HA . 6906 1 304 . 1 1 26 26 TYR HB2 H 1 3.119 0.02 . 9 . . . . 25 TYR HB2 . 6906 1 305 . 1 1 26 26 TYR HB3 H 1 2.712 0.02 . 9 . . . . 25 TYR HB3 . 6906 1 306 . 1 1 26 26 TYR HD1 H 1 7.225 0.02 . 9 . . . . 25 TYR HD1 . 6906 1 307 . 1 1 26 26 TYR HD2 H 1 7.225 0.02 . 9 . . . . 25 TYR HD2 . 6906 1 308 . 1 1 26 26 TYR HE1 H 1 6.859 0.02 . 9 . . . . 25 TYR HE1 . 6906 1 309 . 1 1 26 26 TYR HE2 H 1 6.859 0.02 . 9 . . . . 25 TYR HE2 . 6906 1 310 . 1 1 26 26 TYR C C 13 175.7 0.2 . 9 . . . . 25 TYR C . 6906 1 311 . 1 1 26 26 TYR CA C 13 56.95 0.2 . 9 . . . . 25 TYR CA . 6906 1 312 . 1 1 26 26 TYR CB C 13 40.37 0.2 . 9 . . . . 25 TYR CB . 6906 1 313 . 1 1 26 26 TYR CD1 C 13 133.5 0.2 . 9 . . . . 25 TYR CD1 . 6906 1 314 . 1 1 26 26 TYR CD2 C 13 133.5 0.2 . 9 . . . . 25 TYR CD2 . 6906 1 315 . 1 1 26 26 TYR CE1 C 13 117.7 0.2 . 9 . . . . 25 TYR CE1 . 6906 1 316 . 1 1 26 26 TYR CE2 C 13 117.7 0.2 . 9 . . . . 25 TYR CE2 . 6906 1 317 . 1 1 26 26 TYR N N 15 114.9 0.2 . 9 . . . . 25 TYR N . 6906 1 318 . 1 1 27 27 LEU H H 1 9.005 0.02 . 9 . . . . 26 LEU H . 6906 1 319 . 1 1 27 27 LEU HA H 1 4.245 0.02 . 9 . . . . 26 LEU HA . 6906 1 320 . 1 1 27 27 LEU HB2 H 1 1.686 0.02 . 9 . . . . 26 LEU HB2 . 6906 1 321 . 1 1 27 27 LEU HB3 H 1 1.145 0.02 . 9 . . . . 26 LEU HB3 . 6906 1 322 . 1 1 27 27 LEU HG H 1 0.695 0.02 . 9 . . . . 26 LEU HG . 6906 1 323 . 1 1 27 27 LEU HD11 H 1 0.484 0.02 . 9 . . . . 26 LEU HD1 . 6906 1 324 . 1 1 27 27 LEU HD12 H 1 0.484 0.02 . 9 . . . . 26 LEU HD1 . 6906 1 325 . 1 1 27 27 LEU HD13 H 1 0.484 0.02 . 9 . . . . 26 LEU HD1 . 6906 1 326 . 1 1 27 27 LEU HD21 H 1 0.097 0.02 . 9 . . . . 26 LEU HD2 . 6906 1 327 . 1 1 27 27 LEU HD22 H 1 0.097 0.02 . 9 . . . . 26 LEU HD2 . 6906 1 328 . 1 1 27 27 LEU HD23 H 1 0.097 0.02 . 9 . . . . 26 LEU HD2 . 6906 1 329 . 1 1 27 27 LEU C C 13 177.03 0.2 . 9 . . . . 26 LEU C . 6906 1 330 . 1 1 27 27 LEU CA C 13 54.6 0.2 . 9 . . . . 26 LEU CA . 6906 1 331 . 1 1 27 27 LEU CB C 13 44.1 0.2 . 9 . . . . 26 LEU CB . 6906 1 332 . 1 1 27 27 LEU CG C 13 26.7 0.2 . 9 . . . . 26 LEU CG . 6906 1 333 . 1 1 27 27 LEU CD1 C 13 26.9 0.2 . 9 . . . . 26 LEU CD1 . 6906 1 334 . 1 1 27 27 LEU CD2 C 13 23.1 0.2 . 9 . . . . 26 LEU CD2 . 6906 1 335 . 1 1 27 27 LEU N N 15 122.94 0.2 . 9 . . . . 26 LEU N . 6906 1 336 . 1 1 28 28 THR H H 1 6.996 0.02 . 9 . . . . 27 THR H . 6906 1 337 . 1 1 28 28 THR HA H 1 4.55 0.02 . 9 . . . . 27 THR HA . 6906 1 338 . 1 1 28 28 THR HB H 1 4.525 0.02 . 9 . . . . 27 THR HB . 6906 1 339 . 1 1 28 28 THR HG21 H 1 1.33 0.02 . 9 . . . . 27 THR HG2 . 6906 1 340 . 1 1 28 28 THR HG22 H 1 1.33 0.02 . 9 . . . . 27 THR HG2 . 6906 1 341 . 1 1 28 28 THR HG23 H 1 1.33 0.02 . 9 . . . . 27 THR HG2 . 6906 1 342 . 1 1 28 28 THR C C 13 174.492 0.2 . 9 . . . . 27 THR C . 6906 1 343 . 1 1 28 28 THR CA C 13 59.66 0.2 . 9 . . . . 27 THR CA . 6906 1 344 . 1 1 28 28 THR CB C 13 71 0.2 . 9 . . . . 27 THR CB . 6906 1 345 . 1 1 28 28 THR CG2 C 13 22.3 0.2 . 9 . . . . 27 THR CG2 . 6906 1 346 . 1 1 28 28 THR N N 15 111.583 0.2 . 9 . . . . 27 THR N . 6906 1 347 . 1 1 29 29 ALA H H 1 9.263 0.02 . 9 . . . . 28 ALA H . 6906 1 348 . 1 1 29 29 ALA HA H 1 4.309 0.02 . 9 . . . . 28 ALA HA . 6906 1 349 . 1 1 29 29 ALA HB1 H 1 1.574 0.02 . 9 . . . . 28 ALA HB . 6906 1 350 . 1 1 29 29 ALA HB2 H 1 1.574 0.02 . 9 . . . . 28 ALA HB . 6906 1 351 . 1 1 29 29 ALA HB3 H 1 1.574 0.02 . 9 . . . . 28 ALA HB . 6906 1 352 . 1 1 29 29 ALA CA C 13 57.124 0.2 . 9 . . . . 28 ALA CA . 6906 1 353 . 1 1 29 29 ALA CB C 13 15.5 0.2 . 9 . . . . 28 ALA CB . 6906 1 354 . 1 1 29 29 ALA N N 15 123.8 0.2 . 9 . . . . 28 ALA N . 6906 1 355 . 1 1 30 30 PRO HA H 1 4.409 0.02 . 9 . . . . 29 PRO HA . 6906 1 356 . 1 1 30 30 PRO HB2 H 1 1.823 0.02 . 9 . . . . 29 PRO HB2 . 6906 1 357 . 1 1 30 30 PRO HB3 H 1 2.365 0.02 . 9 . . . . 29 PRO HB3 . 6906 1 358 . 1 1 30 30 PRO HG2 H 1 2.095 0.02 . 9 . . . . 29 PRO HG2 . 6906 1 359 . 1 1 30 30 PRO HG3 H 1 2.005 0.02 . 9 . . . . 29 PRO HG3 . 6906 1 360 . 1 1 30 30 PRO HD2 H 1 3.868 0.02 . 9 . . . . 29 PRO HD2 . 6906 1 361 . 1 1 30 30 PRO C C 13 179.314 0.2 . 9 . . . . 29 PRO C . 6906 1 362 . 1 1 30 30 PRO CA C 13 65.81 0.2 . 9 . . . . 29 PRO CA . 6906 1 363 . 1 1 30 30 PRO CB C 13 31.2 0.2 . 9 . . . . 29 PRO CB . 6906 1 364 . 1 1 30 30 PRO CG C 13 28.4 0.2 . 9 . . . . 29 PRO CG . 6906 1 365 . 1 1 30 30 PRO CD C 13 50.3 0.2 . 9 . . . . 29 PRO CD . 6906 1 366 . 1 1 31 31 ARG H H 1 7.059 0.02 . 9 . . . . 30 ARG H . 6906 1 367 . 1 1 31 31 ARG HA H 1 4.185 0.02 . 9 . . . . 30 ARG HA . 6906 1 368 . 1 1 31 31 ARG HB2 H 1 1.79 0.02 . 9 . . . . 30 ARG HB2 . 6906 1 369 . 1 1 31 31 ARG HG2 H 1 1.85 0.02 . 9 . . . . 30 ARG HG2 . 6906 1 370 . 1 1 31 31 ARG HG3 H 1 1.55 0.02 . 9 . . . . 30 ARG HG3 . 6906 1 371 . 1 1 31 31 ARG HD2 H 1 3.413 0.02 . 9 . . . . 30 ARG HD2 . 6906 1 372 . 1 1 31 31 ARG HD3 H 1 3.2 0.02 . 9 . . . . 30 ARG HD3 . 6906 1 373 . 1 1 31 31 ARG C C 13 178.424 0.2 . 9 . . . . 30 ARG C . 6906 1 374 . 1 1 31 31 ARG CA C 13 59.44 0.2 . 9 . . . . 30 ARG CA . 6906 1 375 . 1 1 31 31 ARG CB C 13 31.3 0.2 . 9 . . . . 30 ARG CB . 6906 1 376 . 1 1 31 31 ARG CG C 13 28.35 0.2 . 9 . . . . 30 ARG CG . 6906 1 377 . 1 1 31 31 ARG CD C 13 44.14 0.2 . 9 . . . . 30 ARG CD . 6906 1 378 . 1 1 31 31 ARG N N 15 118.075 0.2 . 9 . . . . 30 ARG N . 6906 1 379 . 1 1 32 32 LEU H H 1 8.553 0.02 . 9 . . . . 31 LEU H . 6906 1 380 . 1 1 32 32 LEU HA H 1 3.893 0.02 . 9 . . . . 31 LEU HA . 6906 1 381 . 1 1 32 32 LEU HB2 H 1 2.11 0.02 . 9 . . . . 31 LEU HB2 . 6906 1 382 . 1 1 32 32 LEU HB3 H 1 1.44 0.02 . 9 . . . . 31 LEU HB3 . 6906 1 383 . 1 1 32 32 LEU HG H 1 1.5 0.02 . 9 . . . . 31 LEU HG . 6906 1 384 . 1 1 32 32 LEU HD11 H 1 0.965 0.02 . 9 . . . . 31 LEU HD1 . 6906 1 385 . 1 1 32 32 LEU HD12 H 1 0.965 0.02 . 9 . . . . 31 LEU HD1 . 6906 1 386 . 1 1 32 32 LEU HD13 H 1 0.965 0.02 . 9 . . . . 31 LEU HD1 . 6906 1 387 . 1 1 32 32 LEU HD21 H 1 1.023 0.02 . 9 . . . . 31 LEU HD2 . 6906 1 388 . 1 1 32 32 LEU HD22 H 1 1.023 0.02 . 9 . . . . 31 LEU HD2 . 6906 1 389 . 1 1 32 32 LEU HD23 H 1 1.023 0.02 . 9 . . . . 31 LEU HD2 . 6906 1 390 . 1 1 32 32 LEU C C 13 178.5 0.2 . 9 . . . . 31 LEU C . 6906 1 391 . 1 1 32 32 LEU CA C 13 58.255 0.2 . 9 . . . . 31 LEU CA . 6906 1 392 . 1 1 32 32 LEU CB C 13 41.8 0.2 . 9 . . . . 31 LEU CB . 6906 1 393 . 1 1 32 32 LEU CG C 13 23.4 0.2 . 9 . . . . 31 LEU CG . 6906 1 394 . 1 1 32 32 LEU CD1 C 13 26.3 0.2 . 9 . . . . 31 LEU CD1 . 6906 1 395 . 1 1 32 32 LEU CD2 C 13 23.3 0.2 . 9 . . . . 31 LEU CD2 . 6906 1 396 . 1 1 32 32 LEU N N 15 120.3 0.2 . 9 . . . . 31 LEU N . 6906 1 397 . 1 1 33 33 ALA H H 1 8.042 0.02 . 9 . . . . 32 ALA H . 6906 1 398 . 1 1 33 33 ALA HA H 1 3.98 0.02 . 9 . . . . 32 ALA HA . 6906 1 399 . 1 1 33 33 ALA HB1 H 1 1.515 0.02 . 9 . . . . 32 ALA HB . 6906 1 400 . 1 1 33 33 ALA HB2 H 1 1.515 0.02 . 9 . . . . 32 ALA HB . 6906 1 401 . 1 1 33 33 ALA HB3 H 1 1.515 0.02 . 9 . . . . 32 ALA HB . 6906 1 402 . 1 1 33 33 ALA C C 13 180.228 0.2 . 9 . . . . 32 ALA C . 6906 1 403 . 1 1 33 33 ALA CA C 13 55.37 0.2 . 9 . . . . 32 ALA CA . 6906 1 404 . 1 1 33 33 ALA CB C 13 17.9 0.2 . 9 . . . . 32 ALA CB . 6906 1 405 . 1 1 33 33 ALA N N 15 121.875 0.2 . 9 . . . . 32 ALA N . 6906 1 406 . 1 1 34 34 ASP H H 1 7.973 0.02 . 9 . . . . 33 ASP H . 6906 1 407 . 1 1 34 34 ASP HA H 1 4.42 0.02 . 9 . . . . 33 ASP HA . 6906 1 408 . 1 1 34 34 ASP C C 13 178.3 0.2 . 9 . . . . 33 ASP C . 6906 1 409 . 1 1 34 34 ASP CA C 13 57.378 0.2 . 9 . . . . 33 ASP CA . 6906 1 410 . 1 1 34 34 ASP CB C 13 41.52 0.2 . 9 . . . . 33 ASP CB . 6906 1 411 . 1 1 34 34 ASP N N 15 119 0.2 . 9 . . . . 33 ASP N . 6906 1 412 . 1 1 35 35 LEU H H 1 8.401 0.02 . 9 . . . . 34 LEU H . 6906 1 413 . 1 1 35 35 LEU HA H 1 3.87 0.02 . 9 . . . . 34 LEU HA . 6906 1 414 . 1 1 35 35 LEU HB2 H 1 1.613 0.02 . 9 . . . . 34 LEU HB2 . 6906 1 415 . 1 1 35 35 LEU HB3 H 1 1.327 0.02 . 9 . . . . 34 LEU HB3 . 6906 1 416 . 1 1 35 35 LEU HG H 1 1.39 0.02 . 9 . . . . 34 LEU HG . 6906 1 417 . 1 1 35 35 LEU HD11 H 1 0.408 0.02 . 9 . . . . 34 LEU HD1 . 6906 1 418 . 1 1 35 35 LEU HD12 H 1 0.408 0.02 . 9 . . . . 34 LEU HD1 . 6906 1 419 . 1 1 35 35 LEU HD13 H 1 0.408 0.02 . 9 . . . . 34 LEU HD1 . 6906 1 420 . 1 1 35 35 LEU HD21 H 1 0.34 0.02 . 9 . . . . 34 LEU HD2 . 6906 1 421 . 1 1 35 35 LEU HD22 H 1 0.34 0.02 . 9 . . . . 34 LEU HD2 . 6906 1 422 . 1 1 35 35 LEU HD23 H 1 0.34 0.02 . 9 . . . . 34 LEU HD2 . 6906 1 423 . 1 1 35 35 LEU C C 13 178.491 0.2 . 9 . . . . 34 LEU C . 6906 1 424 . 1 1 35 35 LEU CA C 13 58.02 0.2 . 9 . . . . 34 LEU CA . 6906 1 425 . 1 1 35 35 LEU CB C 13 42.45 0.2 . 9 . . . . 34 LEU CB . 6906 1 426 . 1 1 35 35 LEU CG C 13 27.18 0.2 . 9 . . . . 34 LEU CG . 6906 1 427 . 1 1 35 35 LEU CD1 C 13 23.7 0.2 . 9 . . . . 34 LEU CD1 . 6906 1 428 . 1 1 35 35 LEU CD2 C 13 23.8 0.2 . 9 . . . . 34 LEU CD2 . 6906 1 429 . 1 1 35 35 LEU N N 15 120.012 0.2 . 9 . . . . 34 LEU N . 6906 1 430 . 1 1 36 36 SER H H 1 8.11 0.02 . 9 . . . . 35 SER H . 6906 1 431 . 1 1 36 36 SER HA H 1 4.031 0.02 . 9 . . . . 35 SER HA . 6906 1 432 . 1 1 36 36 SER HB2 H 1 3.919 0.02 . 9 . . . . 35 SER HB2 . 6906 1 433 . 1 1 36 36 SER C C 13 176.617 0.2 . 9 . . . . 35 SER C . 6906 1 434 . 1 1 36 36 SER CA C 13 62.3 0.2 . 9 . . . . 35 SER CA . 6906 1 435 . 1 1 36 36 SER CB C 13 62.8 0.2 . 9 . . . . 35 SER CB . 6906 1 436 . 1 1 36 36 SER N N 15 112.7 0.2 . 9 . . . . 35 SER N . 6906 1 437 . 1 1 37 37 ALA H H 1 7.593 0.02 . 9 . . . . 36 ALA H . 6906 1 438 . 1 1 37 37 ALA HA H 1 4.22 0.02 . 9 . . . . 36 ALA HA . 6906 1 439 . 1 1 37 37 ALA HB1 H 1 1.57 0.02 . 9 . . . . 36 ALA HB . 6906 1 440 . 1 1 37 37 ALA HB2 H 1 1.57 0.02 . 9 . . . . 36 ALA HB . 6906 1 441 . 1 1 37 37 ALA HB3 H 1 1.57 0.02 . 9 . . . . 36 ALA HB . 6906 1 442 . 1 1 37 37 ALA C C 13 180.9 0.2 . 9 . . . . 36 ALA C . 6906 1 443 . 1 1 37 37 ALA CA C 13 54.95 0.2 . 9 . . . . 36 ALA CA . 6906 1 444 . 1 1 37 37 ALA CB C 13 18.31 0.2 . 9 . . . . 36 ALA CB . 6906 1 445 . 1 1 37 37 ALA N N 15 121.6 0.2 . 9 . . . . 36 ALA N . 6906 1 446 . 1 1 38 38 LYS H H 1 8.276 0.02 . 9 . . . . 37 LYS H . 6906 1 447 . 1 1 38 38 LYS HA H 1 4.045 0.02 . 9 . . . . 37 LYS HA . 6906 1 448 . 1 1 38 38 LYS HB2 H 1 1.973 0.02 . 9 . . . . 37 LYS HB2 . 6906 1 449 . 1 1 38 38 LYS HB3 H 1 1.86 0.02 . 9 . . . . 37 LYS HB3 . 6906 1 450 . 1 1 38 38 LYS HG2 H 1 1.534 0.02 . 9 . . . . 37 LYS HG2 . 6906 1 451 . 1 1 38 38 LYS HG3 H 1 1.502 0.02 . 9 . . . . 37 LYS HG3 . 6906 1 452 . 1 1 38 38 LYS HD2 H 1 1.635 0.02 . 9 . . . . 37 LYS HD2 . 6906 1 453 . 1 1 38 38 LYS HZ1 H 1 3 0.02 . 9 . . . . 37 LYS HZ . 6906 1 454 . 1 1 38 38 LYS HZ2 H 1 3 0.02 . 9 . . . . 37 LYS HZ . 6906 1 455 . 1 1 38 38 LYS HZ3 H 1 3 0.02 . 9 . . . . 37 LYS HZ . 6906 1 456 . 1 1 38 38 LYS C C 13 178.5 0.2 . 9 . . . . 37 LYS C . 6906 1 457 . 1 1 38 38 LYS CA C 13 59.2 0.2 . 9 . . . . 37 LYS CA . 6906 1 458 . 1 1 38 38 LYS CB C 13 32.9 0.2 . 9 . . . . 37 LYS CB . 6906 1 459 . 1 1 38 38 LYS CG C 13 25.3 0.2 . 9 . . . . 37 LYS CG . 6906 1 460 . 1 1 38 38 LYS CD C 13 29.1 0.2 . 9 . . . . 37 LYS CD . 6906 1 461 . 1 1 38 38 LYS CE C 13 42 0.2 . 9 . . . . 37 LYS CE . 6906 1 462 . 1 1 38 38 LYS N N 15 118.9 0.2 . 9 . . . . 37 LYS N . 6906 1 463 . 1 1 39 39 LEU H H 1 7.895 0.02 . 9 . . . . 38 LEU H . 6906 1 464 . 1 1 39 39 LEU HA H 1 4.315 0.02 . 9 . . . . 38 LEU HA . 6906 1 465 . 1 1 39 39 LEU HB2 H 1 1.67 0.02 . 9 . . . . 38 LEU HB2 . 6906 1 466 . 1 1 39 39 LEU HB3 H 1 1.5 0.02 . 9 . . . . 38 LEU HB3 . 6906 1 467 . 1 1 39 39 LEU HG H 1 1.793 0.02 . 9 . . . . 38 LEU HG . 6906 1 468 . 1 1 39 39 LEU HD11 H 1 0.698 0.02 . 9 . . . . 38 LEU HD1 . 6906 1 469 . 1 1 39 39 LEU HD12 H 1 0.698 0.02 . 9 . . . . 38 LEU HD1 . 6906 1 470 . 1 1 39 39 LEU HD13 H 1 0.698 0.02 . 9 . . . . 38 LEU HD1 . 6906 1 471 . 1 1 39 39 LEU HD21 H 1 0.82 0.02 . 9 . . . . 38 LEU HD2 . 6906 1 472 . 1 1 39 39 LEU HD22 H 1 0.82 0.02 . 9 . . . . 38 LEU HD2 . 6906 1 473 . 1 1 39 39 LEU HD23 H 1 0.82 0.02 . 9 . . . . 38 LEU HD2 . 6906 1 474 . 1 1 39 39 LEU C C 13 175.6 0.2 . 9 . . . . 38 LEU C . 6906 1 475 . 1 1 39 39 LEU CA C 13 54.6 0.2 . 9 . . . . 38 LEU CA . 6906 1 476 . 1 1 39 39 LEU CB C 13 42.7 0.2 . 9 . . . . 38 LEU CB . 6906 1 477 . 1 1 39 39 LEU CG C 13 27.15 0.2 . 9 . . . . 38 LEU CG . 6906 1 478 . 1 1 39 39 LEU CD1 C 13 26.7 0.2 . 9 . . . . 38 LEU CD1 . 6906 1 479 . 1 1 39 39 LEU CD2 C 13 23.2 0.2 . 9 . . . . 38 LEU CD2 . 6906 1 480 . 1 1 39 39 LEU N N 15 115.5 0.2 . 9 . . . . 38 LEU N . 6906 1 481 . 1 1 40 40 ALA H H 1 7.829 0.02 . 9 . . . . 39 ALA H . 6906 1 482 . 1 1 40 40 ALA HA H 1 4.071 0.02 . 9 . . . . 39 ALA HA . 6906 1 483 . 1 1 40 40 ALA HB1 H 1 1.455 0.02 . 9 . . . . 39 ALA HB . 6906 1 484 . 1 1 40 40 ALA HB2 H 1 1.455 0.02 . 9 . . . . 39 ALA HB . 6906 1 485 . 1 1 40 40 ALA HB3 H 1 1.455 0.02 . 9 . . . . 39 ALA HB . 6906 1 486 . 1 1 40 40 ALA C C 13 176.1 0.2 . 9 . . . . 39 ALA C . 6906 1 487 . 1 1 40 40 ALA CA C 13 53 0.2 . 9 . . . . 39 ALA CA . 6906 1 488 . 1 1 40 40 ALA CB C 13 16.2 0.2 . 9 . . . . 39 ALA CB . 6906 1 489 . 1 1 40 40 ALA N N 15 121.4 0.2 . 9 . . . . 39 ALA N . 6906 1 490 . 1 1 41 41 LEU H H 1 7.928 0.02 . 9 . . . . 40 LEU H . 6906 1 491 . 1 1 41 41 LEU HA H 1 4.845 0.02 . 9 . . . . 40 LEU HA . 6906 1 492 . 1 1 41 41 LEU HB2 H 1 1.585 0.02 . 9 . . . . 40 LEU HB2 . 6906 1 493 . 1 1 41 41 LEU HB3 H 1 1.322 0.02 . 9 . . . . 40 LEU HB3 . 6906 1 494 . 1 1 41 41 LEU HG H 1 0.785 0.02 . 9 . . . . 40 LEU HG . 6906 1 495 . 1 1 41 41 LEU HD11 H 1 1.077 0.02 . 9 . . . . 40 LEU HD1 . 6906 1 496 . 1 1 41 41 LEU HD12 H 1 1.077 0.02 . 9 . . . . 40 LEU HD1 . 6906 1 497 . 1 1 41 41 LEU HD13 H 1 1.077 0.02 . 9 . . . . 40 LEU HD1 . 6906 1 498 . 1 1 41 41 LEU HD21 H 1 1.655 0.02 . 9 . . . . 40 LEU HD2 . 6906 1 499 . 1 1 41 41 LEU HD22 H 1 1.655 0.02 . 9 . . . . 40 LEU HD2 . 6906 1 500 . 1 1 41 41 LEU HD23 H 1 1.655 0.02 . 9 . . . . 40 LEU HD2 . 6906 1 501 . 1 1 41 41 LEU C C 13 176.8 0.2 . 9 . . . . 40 LEU C . 6906 1 502 . 1 1 41 41 LEU CA C 13 52.42 0.2 . 9 . . . . 40 LEU CA . 6906 1 503 . 1 1 41 41 LEU CB C 13 48.7 0.2 . 9 . . . . 40 LEU CB . 6906 1 504 . 1 1 41 41 LEU CG C 13 26.71 0.2 . 9 . . . . 40 LEU CG . 6906 1 505 . 1 1 41 41 LEU CD1 C 13 23.5 0.2 . 9 . . . . 40 LEU CD1 . 6906 1 506 . 1 1 41 41 LEU CD2 C 13 26 0.2 . 9 . . . . 40 LEU CD2 . 6906 1 507 . 1 1 41 41 LEU N N 15 118.1 0.2 . 9 . . . . 40 LEU N . 6906 1 508 . 1 1 42 42 GLY H H 1 8.793 0.02 . 9 . . . . 41 GLY H . 6906 1 509 . 1 1 42 42 GLY HA2 H 1 4.25 0.02 . 9 . . . . 41 GLY HA2 . 6906 1 510 . 1 1 42 42 GLY HA3 H 1 4 0.02 . 9 . . . . 41 GLY HA3 . 6906 1 511 . 1 1 42 42 GLY C C 13 175.061 0.2 . 9 . . . . 41 GLY C . 6906 1 512 . 1 1 42 42 GLY CA C 13 45.12 0.2 . 9 . . . . 41 GLY CA . 6906 1 513 . 1 1 42 42 GLY N N 15 108.12 0.2 . 9 . . . . 41 GLY N . 6906 1 514 . 1 1 43 43 THR H H 1 8.621 0.02 . 9 . . . . 42 THR H . 6906 1 515 . 1 1 43 43 THR HA H 1 4.03 0.02 . 9 . . . . 42 THR HA . 6906 1 516 . 1 1 43 43 THR HB H 1 4.175 0.02 . 9 . . . . 42 THR HB . 6906 1 517 . 1 1 43 43 THR HG21 H 1 1.393 0.02 . 9 . . . . 42 THR HG2 . 6906 1 518 . 1 1 43 43 THR HG22 H 1 1.393 0.02 . 9 . . . . 42 THR HG2 . 6906 1 519 . 1 1 43 43 THR HG23 H 1 1.393 0.02 . 9 . . . . 42 THR HG2 . 6906 1 520 . 1 1 43 43 THR C C 13 177.614 0.2 . 9 . . . . 42 THR C . 6906 1 521 . 1 1 43 43 THR CA C 13 65.4 0.2 . 9 . . . . 42 THR CA . 6906 1 522 . 1 1 43 43 THR CB C 13 68.3 0.2 . 9 . . . . 42 THR CB . 6906 1 523 . 1 1 43 43 THR CG2 C 13 22.2 0.2 . 9 . . . . 42 THR CG2 . 6906 1 524 . 1 1 43 43 THR N N 15 114.971 0.2 . 9 . . . . 42 THR N . 6906 1 525 . 1 1 44 44 ALA H H 1 8.756 0.02 . 9 . . . . 43 ALA H . 6906 1 526 . 1 1 44 44 ALA HA H 1 4.134 0.02 . 9 . . . . 43 ALA HA . 6906 1 527 . 1 1 44 44 ALA HB1 H 1 1.475 0.02 . 9 . . . . 43 ALA HB . 6906 1 528 . 1 1 44 44 ALA HB2 H 1 1.475 0.02 . 9 . . . . 43 ALA HB . 6906 1 529 . 1 1 44 44 ALA HB3 H 1 1.475 0.02 . 9 . . . . 43 ALA HB . 6906 1 530 . 1 1 44 44 ALA C C 13 179.744 0.2 . 9 . . . . 43 ALA C . 6906 1 531 . 1 1 44 44 ALA CA C 13 55.55 0.2 . 9 . . . . 43 ALA CA . 6906 1 532 . 1 1 44 44 ALA CB C 13 18 0.2 . 9 . . . . 43 ALA CB . 6906 1 533 . 1 1 44 44 ALA N N 15 122.919 0.2 . 9 . . . . 43 ALA N . 6906 1 534 . 1 1 45 45 GLN H H 1 7.336 0.02 . 9 . . . . 44 GLN H . 6906 1 535 . 1 1 45 45 GLN HA H 1 4.253 0.02 . 9 . . . . 44 GLN HA . 6906 1 536 . 1 1 45 45 GLN HB2 H 1 2.79 0.02 . 9 . . . . 44 GLN HB2 . 6906 1 537 . 1 1 45 45 GLN HB3 H 1 2.12 0.02 . 9 . . . . 44 GLN HB3 . 6906 1 538 . 1 1 45 45 GLN HG2 H 1 2.935 0.02 . 9 . . . . 44 GLN HG2 . 6906 1 539 . 1 1 45 45 GLN HG3 H 1 2.7 0.02 . 9 . . . . 44 GLN HG3 . 6906 1 540 . 1 1 45 45 GLN HE21 H 1 7.775 0.02 . 9 . . . . 44 GLN HE21 . 6906 1 541 . 1 1 45 45 GLN HE22 H 1 6.97 0.02 . 9 . . . . 44 GLN HE22 . 6906 1 542 . 1 1 45 45 GLN C C 13 179.3 0.2 . 9 . . . . 44 GLN C . 6906 1 543 . 1 1 45 45 GLN CA C 13 60.4 0.2 . 9 . . . . 44 GLN CA . 6906 1 544 . 1 1 45 45 GLN CB C 13 29 0.2 . 9 . . . . 44 GLN CB . 6906 1 545 . 1 1 45 45 GLN CG C 13 36.6 0.2 . 9 . . . . 44 GLN CG . 6906 1 546 . 1 1 45 45 GLN N N 15 116.7 0.2 . 9 . . . . 44 GLN N . 6906 1 547 . 1 1 45 45 GLN NE2 N 15 115.3 0.2 . 9 . . . . 44 GLN NE2 . 6906 1 548 . 1 1 46 46 VAL H H 1 7.585 0.02 . 9 . . . . 45 VAL H . 6906 1 549 . 1 1 46 46 VAL HA H 1 3.695 0.02 . 9 . . . . 45 VAL HA . 6906 1 550 . 1 1 46 46 VAL HB H 1 2.069 0.02 . 9 . . . . 45 VAL HB . 6906 1 551 . 1 1 46 46 VAL HG11 H 1 0.905 0.02 . 9 . . . . 45 VAL HG1 . 6906 1 552 . 1 1 46 46 VAL HG12 H 1 0.905 0.02 . 9 . . . . 45 VAL HG1 . 6906 1 553 . 1 1 46 46 VAL HG13 H 1 0.905 0.02 . 9 . . . . 45 VAL HG1 . 6906 1 554 . 1 1 46 46 VAL HG21 H 1 0.915 0.02 . 9 . . . . 45 VAL HG2 . 6906 1 555 . 1 1 46 46 VAL HG22 H 1 0.915 0.02 . 9 . . . . 45 VAL HG2 . 6906 1 556 . 1 1 46 46 VAL HG23 H 1 0.915 0.02 . 9 . . . . 45 VAL HG2 . 6906 1 557 . 1 1 46 46 VAL C C 13 177.3 0.2 . 9 . . . . 45 VAL C . 6906 1 558 . 1 1 46 46 VAL CA C 13 67.3 0.2 . 9 . . . . 45 VAL CA . 6906 1 559 . 1 1 46 46 VAL CB C 13 32 0.2 . 9 . . . . 45 VAL CB . 6906 1 560 . 1 1 46 46 VAL CG1 C 13 23 0.2 . 9 . . . . 45 VAL CG1 . 6906 1 561 . 1 1 46 46 VAL CG2 C 13 23.7 0.2 . 9 . . . . 45 VAL CG2 . 6906 1 562 . 1 1 46 46 VAL N N 15 119.5 0.2 . 9 . . . . 45 VAL N . 6906 1 563 . 1 1 47 47 LYS H H 1 8.695 0.02 . 9 . . . . 46 LYS H . 6906 1 564 . 1 1 47 47 LYS HA H 1 3.988 0.02 . 9 . . . . 46 LYS HA . 6906 1 565 . 1 1 47 47 LYS HB2 H 1 2.027 0.02 . 9 . . . . 46 LYS HB2 . 6906 1 566 . 1 1 47 47 LYS HB3 H 1 1.979 0.02 . 9 . . . . 46 LYS HB3 . 6906 1 567 . 1 1 47 47 LYS HG2 H 1 1.701 0.02 . 9 . . . . 46 LYS HG2 . 6906 1 568 . 1 1 47 47 LYS HG3 H 1 1.455 0.02 . 9 . . . . 46 LYS HG3 . 6906 1 569 . 1 1 47 47 LYS HD2 H 1 1.742 0.02 . 9 . . . . 46 LYS HD2 . 6906 1 570 . 1 1 47 47 LYS HZ1 H 1 2.99 0.02 . 9 . . . . 46 LYS HZ . 6906 1 571 . 1 1 47 47 LYS HZ2 H 1 2.99 0.02 . 9 . . . . 46 LYS HZ . 6906 1 572 . 1 1 47 47 LYS HZ3 H 1 2.99 0.02 . 9 . . . . 46 LYS HZ . 6906 1 573 . 1 1 47 47 LYS C C 13 180.356 0.2 . 9 . . . . 46 LYS C . 6906 1 574 . 1 1 47 47 LYS CA C 13 60.6 0.2 . 9 . . . . 46 LYS CA . 6906 1 575 . 1 1 47 47 LYS CB C 13 33 0.2 . 9 . . . . 46 LYS CB . 6906 1 576 . 1 1 47 47 LYS CG C 13 25.4 0.2 . 9 . . . . 46 LYS CG . 6906 1 577 . 1 1 47 47 LYS CD C 13 29.8 0.2 . 9 . . . . 46 LYS CD . 6906 1 578 . 1 1 47 47 LYS CE C 13 41.65 0.2 . 9 . . . . 46 LYS CE . 6906 1 579 . 1 1 47 47 LYS N N 15 119.986 0.2 . 9 . . . . 46 LYS N . 6906 1 580 . 1 1 48 48 ILE H H 1 8.447 0.02 . 9 . . . . 47 ILE H . 6906 1 581 . 1 1 48 48 ILE HA H 1 3.858 0.02 . 9 . . . . 47 ILE HA . 6906 1 582 . 1 1 48 48 ILE HB H 1 2.352 0.02 . 9 . . . . 47 ILE HB . 6906 1 583 . 1 1 48 48 ILE HG12 H 1 1.695 0.02 . 9 . . . . 47 ILE HG12 . 6906 1 584 . 1 1 48 48 ILE HG13 H 1 1.44 0.02 . 9 . . . . 47 ILE HG13 . 6906 1 585 . 1 1 48 48 ILE HG21 H 1 1.085 0.02 . 9 . . . . 47 ILE HG2 . 6906 1 586 . 1 1 48 48 ILE HG22 H 1 1.085 0.02 . 9 . . . . 47 ILE HG2 . 6906 1 587 . 1 1 48 48 ILE HG23 H 1 1.085 0.02 . 9 . . . . 47 ILE HG2 . 6906 1 588 . 1 1 48 48 ILE HD11 H 1 0.825 0.02 . 9 . . . . 47 ILE HD1 . 6906 1 589 . 1 1 48 48 ILE HD12 H 1 0.825 0.02 . 9 . . . . 47 ILE HD1 . 6906 1 590 . 1 1 48 48 ILE HD13 H 1 0.825 0.02 . 9 . . . . 47 ILE HD1 . 6906 1 591 . 1 1 48 48 ILE C C 13 176.5 0.2 . 9 . . . . 47 ILE C . 6906 1 592 . 1 1 48 48 ILE CA C 13 63.23 0.2 . 9 . . . . 47 ILE CA . 6906 1 593 . 1 1 48 48 ILE CB C 13 36.9 0.2 . 9 . . . . 47 ILE CB . 6906 1 594 . 1 1 48 48 ILE CG1 C 13 29.9 0.2 . 9 . . . . 47 ILE CG1 . 6906 1 595 . 1 1 48 48 ILE CG2 C 13 19.7 0.2 . 9 . . . . 47 ILE CG2 . 6906 1 596 . 1 1 48 48 ILE CD1 C 13 11.7 0.2 . 9 . . . . 47 ILE CD1 . 6906 1 597 . 1 1 48 48 ILE N N 15 120.6 0.2 . 9 . . . . 47 ILE N . 6906 1 598 . 1 1 49 49 TRP H H 1 8.354 0.02 . 9 . . . . 48 TRP H . 6906 1 599 . 1 1 49 49 TRP HA H 1 4.82 0.02 . 9 . . . . 48 TRP HA . 6906 1 600 . 1 1 49 49 TRP HB2 H 1 3.33 0.02 . 9 . . . . 48 TRP HB2 . 6906 1 601 . 1 1 49 49 TRP HB3 H 1 3.48 0.02 . 9 . . . . 48 TRP HB3 . 6906 1 602 . 1 1 49 49 TRP HD1 H 1 7.02 0.02 . 9 . . . . 48 TRP HD1 . 6906 1 603 . 1 1 49 49 TRP HE1 H 1 9.833 0.02 . 9 . . . . 48 TRP HE1 . 6906 1 604 . 1 1 49 49 TRP HE3 H 1 5.735 0.02 . 9 . . . . 48 TRP HE3 . 6906 1 605 . 1 1 49 49 TRP HZ2 H 1 7.16 0.02 . 9 . . . . 48 TRP HZ2 . 6906 1 606 . 1 1 49 49 TRP HZ3 H 1 5.322 0.02 . 9 . . . . 48 TRP HZ3 . 6906 1 607 . 1 1 49 49 TRP HH2 H 1 6.435 0.02 . 9 . . . . 48 TRP HH2 . 6906 1 608 . 1 1 49 49 TRP C C 13 180.437 0.2 . 9 . . . . 48 TRP C . 6906 1 609 . 1 1 49 49 TRP CA C 13 62.7 0.2 . 9 . . . . 48 TRP CA . 6906 1 610 . 1 1 49 49 TRP CB C 13 28.454 0.2 . 9 . . . . 48 TRP CB . 6906 1 611 . 1 1 49 49 TRP CD1 C 13 121.3 0.2 . 9 . . . . 48 TRP CD1 . 6906 1 612 . 1 1 49 49 TRP CE3 C 13 120.4 0.2 . 9 . . . . 48 TRP CE3 . 6906 1 613 . 1 1 49 49 TRP CZ2 C 13 113.7 0.2 . 9 . . . . 48 TRP CZ2 . 6906 1 614 . 1 1 49 49 TRP CZ3 C 13 123.3 0.2 . 9 . . . . 48 TRP CZ3 . 6906 1 615 . 1 1 49 49 TRP CH2 C 13 123.1 0.2 . 9 . . . . 48 TRP CH2 . 6906 1 616 . 1 1 49 49 TRP N N 15 123.7 0.2 . 9 . . . . 48 TRP N . 6906 1 617 . 1 1 49 49 TRP NE1 N 15 109.2 0.2 . 9 . . . . 48 TRP NE1 . 6906 1 618 . 1 1 50 50 PHE H H 1 8.752 0.02 . 9 . . . . 49 PHE H . 6906 1 619 . 1 1 50 50 PHE HA H 1 3.831 0.02 . 9 . . . . 49 PHE HA . 6906 1 620 . 1 1 50 50 PHE HB2 H 1 3.498 0.02 . 9 . . . . 49 PHE HB2 . 6906 1 621 . 1 1 50 50 PHE HB3 H 1 3.15 0.02 . 9 . . . . 49 PHE HB3 . 6906 1 622 . 1 1 50 50 PHE HD1 H 1 7.826 0.02 . 9 . . . . 49 PHE HD1 . 6906 1 623 . 1 1 50 50 PHE HD2 H 1 7.826 0.02 . 9 . . . . 49 PHE HD2 . 6906 1 624 . 1 1 50 50 PHE HE1 H 1 7.524 0.02 . 9 . . . . 49 PHE HE1 . 6906 1 625 . 1 1 50 50 PHE HE2 H 1 7.524 0.02 . 9 . . . . 49 PHE HE2 . 6906 1 626 . 1 1 50 50 PHE HZ H 1 7.135 0.02 . 9 . . . . 49 PHE HZ . 6906 1 627 . 1 1 50 50 PHE C C 13 177.2 0.2 . 9 . . . . 49 PHE C . 6906 1 628 . 1 1 50 50 PHE CA C 13 63.3 0.2 . 9 . . . . 49 PHE CA . 6906 1 629 . 1 1 50 50 PHE CB C 13 39.46 0.2 . 9 . . . . 49 PHE CB . 6906 1 630 . 1 1 50 50 PHE CD1 C 13 132 0.2 . 9 . . . . 49 PHE CD1 . 6906 1 631 . 1 1 50 50 PHE CD2 C 13 132 0.2 . 9 . . . . 49 PHE CD2 . 6906 1 632 . 1 1 50 50 PHE CE1 C 13 132 0.2 . 9 . . . . 49 PHE CE1 . 6906 1 633 . 1 1 50 50 PHE CE2 C 13 132 0.2 . 9 . . . . 49 PHE CE2 . 6906 1 634 . 1 1 50 50 PHE CZ C 13 129.1 0.2 . 9 . . . . 49 PHE CZ . 6906 1 635 . 1 1 50 50 PHE N N 15 119.2 0.2 . 9 . . . . 49 PHE N . 6906 1 636 . 1 1 51 51 LYS H H 1 7.877 0.02 . 9 . . . . 50 LYS H . 6906 1 637 . 1 1 51 51 LYS HA H 1 3.905 0.02 . 9 . . . . 50 LYS HA . 6906 1 638 . 1 1 51 51 LYS HB2 H 1 2.185 0.02 . 9 . . . . 50 LYS HB2 . 6906 1 639 . 1 1 51 51 LYS HB3 H 1 2.004 0.02 . 9 . . . . 50 LYS HB3 . 6906 1 640 . 1 1 51 51 LYS HG2 H 1 1.4 0.02 . 9 . . . . 50 LYS HG2 . 6906 1 641 . 1 1 51 51 LYS HG3 H 1 0.995 0.02 . 9 . . . . 50 LYS HG3 . 6906 1 642 . 1 1 51 51 LYS HD2 H 1 1.72 0.02 . 9 . . . . 50 LYS HD2 . 6906 1 643 . 1 1 51 51 LYS HD3 H 1 1.54 0.02 . 9 . . . . 50 LYS HD3 . 6906 1 644 . 1 1 51 51 LYS HE2 H 1 2.988 0.02 . 9 . . . . 50 LYS HE2 . 6906 1 645 . 1 1 51 51 LYS HE3 H 1 2.59 0.02 . 9 . . . . 50 LYS HE3 . 6906 1 646 . 1 1 51 51 LYS C C 13 179.9 0.2 . 9 . . . . 50 LYS C . 6906 1 647 . 1 1 51 51 LYS CA C 13 60.75 0.2 . 9 . . . . 50 LYS CA . 6906 1 648 . 1 1 51 51 LYS CB C 13 33.9 0.2 . 9 . . . . 50 LYS CB . 6906 1 649 . 1 1 51 51 LYS CG C 13 23.5 0.2 . 9 . . . . 50 LYS CG . 6906 1 650 . 1 1 51 51 LYS CD C 13 29.9 0.2 . 9 . . . . 50 LYS CD . 6906 1 651 . 1 1 51 51 LYS CE C 13 41.9 0.2 . 9 . . . . 50 LYS CE . 6906 1 652 . 1 1 51 51 LYS N N 15 121 0.2 . 9 . . . . 50 LYS N . 6906 1 653 . 1 1 52 52 ASN H H 1 8.925 0.02 . 9 . . . . 51 ASN H . 6906 1 654 . 1 1 52 52 ASN HA H 1 4.475 0.02 . 9 . . . . 51 ASN HA . 6906 1 655 . 1 1 52 52 ASN HB2 H 1 2.857 0.02 . 9 . . . . 51 ASN HB2 . 6906 1 656 . 1 1 52 52 ASN HB3 H 1 2.565 0.02 . 9 . . . . 51 ASN HB3 . 6906 1 657 . 1 1 52 52 ASN HD21 H 1 9.022 0.02 . 9 . . . . 51 ASN HD21 . 6906 1 658 . 1 1 52 52 ASN HD22 H 1 8.28 0.02 . 9 . . . . 51 ASN HD22 . 6906 1 659 . 1 1 52 52 ASN C C 13 177.831 0.2 . 9 . . . . 51 ASN C . 6906 1 660 . 1 1 52 52 ASN CA C 13 55.9 0.2 . 9 . . . . 51 ASN CA . 6906 1 661 . 1 1 52 52 ASN CB C 13 38.25 0.2 . 9 . . . . 51 ASN CB . 6906 1 662 . 1 1 52 52 ASN N N 15 118.9 0.2 . 9 . . . . 51 ASN N . 6906 1 663 . 1 1 52 52 ASN ND2 N 15 123.2 0.2 . 9 . . . . 51 ASN ND2 . 6906 1 664 . 1 1 53 53 ARG H H 1 8.772 0.02 . 9 . . . . 52 ARG H . 6906 1 665 . 1 1 53 53 ARG HA H 1 3.478 0.02 . 9 . . . . 52 ARG HA . 6906 1 666 . 1 1 53 53 ARG HB2 H 1 0.705 0.02 . 9 . . . . 52 ARG HB2 . 6906 1 667 . 1 1 53 53 ARG HB3 H 1 -0.35 0.02 . 9 . . . . 52 ARG HB3 . 6906 1 668 . 1 1 53 53 ARG HG2 H 1 -0.566 0.02 . 9 . . . . 52 ARG HG2 . 6906 1 669 . 1 1 53 53 ARG HG3 H 1 -0.238 0.02 . 9 . . . . 52 ARG HG3 . 6906 1 670 . 1 1 53 53 ARG HD2 H 1 2.34 0.02 . 9 . . . . 52 ARG HD2 . 6906 1 671 . 1 1 53 53 ARG HD3 H 1 2.115 0.02 . 9 . . . . 52 ARG HD3 . 6906 1 672 . 1 1 53 53 ARG C C 13 178.7 0.2 . 9 . . . . 52 ARG C . 6906 1 673 . 1 1 53 53 ARG CA C 13 56.9 0.2 . 9 . . . . 52 ARG CA . 6906 1 674 . 1 1 53 53 ARG CB C 13 27.7 0.2 . 9 . . . . 52 ARG CB . 6906 1 675 . 1 1 53 53 ARG CG C 13 23.8 0.2 . 9 . . . . 52 ARG CG . 6906 1 676 . 1 1 53 53 ARG CD C 13 40.6 0.2 . 9 . . . . 52 ARG CD . 6906 1 677 . 1 1 53 53 ARG N N 15 125.1 0.2 . 9 . . . . 52 ARG N . 6906 1 678 . 1 1 54 54 ARG H H 1 8.477 0.02 . 9 . . . . 53 ARG H . 6906 1 679 . 1 1 54 54 ARG HA H 1 4.126 0.02 . 9 . . . . 53 ARG HA . 6906 1 680 . 1 1 54 54 ARG HB2 H 1 2.245 0.02 . 9 . . . . 53 ARG HB2 . 6906 1 681 . 1 1 54 54 ARG HG2 H 1 1.925 0.02 . 9 . . . . 53 ARG HG2 . 6906 1 682 . 1 1 54 54 ARG HD2 H 1 2.535 0.02 . 9 . . . . 53 ARG HD2 . 6906 1 683 . 1 1 54 54 ARG HD3 H 1 1.379 0.02 . 9 . . . . 53 ARG HD3 . 6906 1 684 . 1 1 54 54 ARG C C 13 178.7 0.2 . 9 . . . . 53 ARG C . 6906 1 685 . 1 1 54 54 ARG CA C 13 61.08 0.2 . 9 . . . . 53 ARG CA . 6906 1 686 . 1 1 54 54 ARG CB C 13 31.34 0.2 . 9 . . . . 53 ARG CB . 6906 1 687 . 1 1 54 54 ARG CD C 13 43.5 0.2 . 9 . . . . 53 ARG CD . 6906 1 688 . 1 1 54 54 ARG N N 15 119.9 0.2 . 9 . . . . 53 ARG N . 6906 1 689 . 1 1 55 55 ARG H H 1 7.377 0.02 . 9 . . . . 54 ARG H . 6906 1 690 . 1 1 55 55 ARG HA H 1 4.614 0.02 . 9 . . . . 54 ARG HA . 6906 1 691 . 1 1 55 55 ARG HB2 H 1 2.264 0.02 . 9 . . . . 54 ARG HB2 . 6906 1 692 . 1 1 55 55 ARG HB3 H 1 1.85 0.02 . 9 . . . . 54 ARG HB3 . 6906 1 693 . 1 1 55 55 ARG HG2 H 1 2.02 0.02 . 9 . . . . 54 ARG HG2 . 6906 1 694 . 1 1 55 55 ARG HG3 H 1 1.64 0.02 . 9 . . . . 54 ARG HG3 . 6906 1 695 . 1 1 55 55 ARG HD2 H 1 3.569 0.02 . 9 . . . . 54 ARG HD2 . 6906 1 696 . 1 1 55 55 ARG HD3 H 1 3.116 0.02 . 9 . . . . 54 ARG HD3 . 6906 1 697 . 1 1 55 55 ARG C C 13 177.583 0.2 . 9 . . . . 54 ARG C . 6906 1 698 . 1 1 55 55 ARG CA C 13 57.75 0.2 . 9 . . . . 54 ARG CA . 6906 1 699 . 1 1 55 55 ARG CB C 13 28.7 0.2 . 9 . . . . 54 ARG CB . 6906 1 700 . 1 1 55 55 ARG CG C 13 26.4 0.2 . 9 . . . . 54 ARG CG . 6906 1 701 . 1 1 55 55 ARG CD C 13 44.2 0.2 . 9 . . . . 54 ARG CD . 6906 1 702 . 1 1 55 55 ARG N N 15 120.8 0.2 . 9 . . . . 54 ARG N . 6906 1 703 . 1 1 56 56 ARG H H 1 7.927 0.02 . 9 . . . . 55 ARG H . 6906 1 704 . 1 1 56 56 ARG HA H 1 3.99 0.02 . 9 . . . . 55 ARG HA . 6906 1 705 . 1 1 56 56 ARG HB2 H 1 1.832 0.02 . 9 . . . . 55 ARG HB2 . 6906 1 706 . 1 1 56 56 ARG HB3 H 1 1.745 0.02 . 9 . . . . 55 ARG HB3 . 6906 1 707 . 1 1 56 56 ARG HG2 H 1 1.75 0.02 . 9 . . . . 55 ARG HG2 . 6906 1 708 . 1 1 56 56 ARG HG3 H 1 1.495 0.02 . 9 . . . . 55 ARG HG3 . 6906 1 709 . 1 1 56 56 ARG HD2 H 1 3.118 0.02 . 9 . . . . 55 ARG HD2 . 6906 1 710 . 1 1 56 56 ARG HD3 H 1 3.055 0.02 . 9 . . . . 55 ARG HD3 . 6906 1 711 . 1 1 56 56 ARG C C 13 178.21 0.2 . 9 . . . . 55 ARG C . 6906 1 712 . 1 1 56 56 ARG CA C 13 59.315 0.2 . 9 . . . . 55 ARG CA . 6906 1 713 . 1 1 56 56 ARG CB C 13 30.5 0.2 . 9 . . . . 55 ARG CB . 6906 1 714 . 1 1 56 56 ARG CG C 13 27.3 0.2 . 9 . . . . 55 ARG CG . 6906 1 715 . 1 1 56 56 ARG CD C 13 44.04 0.2 . 9 . . . . 55 ARG CD . 6906 1 716 . 1 1 56 56 ARG N N 15 119.4 0.2 . 9 . . . . 55 ARG N . 6906 1 717 . 1 1 57 57 HIS H H 1 8.106 0.02 . 9 . . . . 56 HIS H . 6906 1 718 . 1 1 57 57 HIS HA H 1 4.407 0.02 . 9 . . . . 56 HIS HA . 6906 1 719 . 1 1 57 57 HIS HB2 H 1 3.445 0.02 . 9 . . . . 56 HIS HB2 . 6906 1 720 . 1 1 57 57 HIS HB3 H 1 3.155 0.02 . 9 . . . . 56 HIS HB3 . 6906 1 721 . 1 1 57 57 HIS HD2 H 1 7.11 0.02 . 9 . . . . 56 HIS HD2 . 6906 1 722 . 1 1 57 57 HIS HE1 H 1 7.838 0.02 . 9 . . . . 56 HIS HE1 . 6906 1 723 . 1 1 57 57 HIS C C 13 177.199 0.2 . 9 . . . . 56 HIS C . 6906 1 724 . 1 1 57 57 HIS CA C 13 59.4 0.2 . 9 . . . . 56 HIS CA . 6906 1 725 . 1 1 57 57 HIS CB C 13 31.07 0.2 . 9 . . . . 56 HIS CB . 6906 1 726 . 1 1 57 57 HIS CD2 C 13 119 0.2 . 9 . . . . 56 HIS CD2 . 6906 1 727 . 1 1 57 57 HIS CE1 C 13 138.7 0.2 . 9 . . . . 56 HIS CE1 . 6906 1 728 . 1 1 57 57 HIS N N 15 118.15 0.2 . 9 . . . . 56 HIS N . 6906 1 729 . 1 1 58 58 LYS H H 1 8.335 0.02 . 9 . . . . 57 LYS H . 6906 1 730 . 1 1 58 58 LYS HA H 1 4.095 0.02 . 9 . . . . 57 LYS HA . 6906 1 731 . 1 1 58 58 LYS HB2 H 1 2.218 0.02 . 9 . . . . 57 LYS HB2 . 6906 1 732 . 1 1 58 58 LYS HB3 H 1 2.06 0.02 . 9 . . . . 57 LYS HB3 . 6906 1 733 . 1 1 58 58 LYS HG2 H 1 1.665 0.02 . 9 . . . . 57 LYS HG2 . 6906 1 734 . 1 1 58 58 LYS HG3 H 1 1.5 0.02 . 9 . . . . 57 LYS HG3 . 6906 1 735 . 1 1 58 58 LYS HD2 H 1 1.845 0.02 . 9 . . . . 57 LYS HD2 . 6906 1 736 . 1 1 58 58 LYS HD3 H 1 1.79 0.02 . 9 . . . . 57 LYS HD3 . 6906 1 737 . 1 1 58 58 LYS HZ1 H 1 3.092 0.02 . 9 . . . . 57 LYS HZ . 6906 1 738 . 1 1 58 58 LYS HZ2 H 1 3.092 0.02 . 9 . . . . 57 LYS HZ . 6906 1 739 . 1 1 58 58 LYS HZ3 H 1 3.092 0.02 . 9 . . . . 57 LYS HZ . 6906 1 740 . 1 1 58 58 LYS C C 13 178.4 0.2 . 9 . . . . 57 LYS C . 6906 1 741 . 1 1 58 58 LYS CA C 13 58.9 0.2 . 9 . . . . 57 LYS CA . 6906 1 742 . 1 1 58 58 LYS CB C 13 32.6 0.2 . 9 . . . . 57 LYS CB . 6906 1 743 . 1 1 58 58 LYS CG C 13 24.9 0.2 . 9 . . . . 57 LYS CG . 6906 1 744 . 1 1 58 58 LYS CD C 13 29 0.2 . 9 . . . . 57 LYS CD . 6906 1 745 . 1 1 58 58 LYS CE C 13 42.45 0.2 . 9 . . . . 57 LYS CE . 6906 1 746 . 1 1 58 58 LYS N N 15 122.6 0.2 . 9 . . . . 57 LYS N . 6906 1 747 . 1 1 58 58 LYS NZ N 15 123.2 0.2 . 9 . . . . 57 LYS NZ . 6906 1 748 . 1 1 59 59 ILE H H 1 8.315 0.02 . 9 . . . . 58 ILE H . 6906 1 749 . 1 1 59 59 ILE HA H 1 3.888 0.02 . 9 . . . . 58 ILE HA . 6906 1 750 . 1 1 59 59 ILE HB H 1 1.892 0.02 . 9 . . . . 58 ILE HB . 6906 1 751 . 1 1 59 59 ILE HG12 H 1 1.673 0.02 . 9 . . . . 58 ILE HG12 . 6906 1 752 . 1 1 59 59 ILE HG13 H 1 1.205 0.02 . 9 . . . . 58 ILE HG13 . 6906 1 753 . 1 1 59 59 ILE HG21 H 1 0.919 0.02 . 9 . . . . 58 ILE HG2 . 6906 1 754 . 1 1 59 59 ILE HG22 H 1 0.919 0.02 . 9 . . . . 58 ILE HG2 . 6906 1 755 . 1 1 59 59 ILE HG23 H 1 0.919 0.02 . 9 . . . . 58 ILE HG2 . 6906 1 756 . 1 1 59 59 ILE HD11 H 1 0.865 0.02 . 9 . . . . 58 ILE HD1 . 6906 1 757 . 1 1 59 59 ILE HD12 H 1 0.865 0.02 . 9 . . . . 58 ILE HD1 . 6906 1 758 . 1 1 59 59 ILE HD13 H 1 0.865 0.02 . 9 . . . . 58 ILE HD1 . 6906 1 759 . 1 1 59 59 ILE C C 13 178.5 0.2 . 9 . . . . 58 ILE C . 6906 1 760 . 1 1 59 59 ILE CA C 13 64.2 0.2 . 9 . . . . 58 ILE CA . 6906 1 761 . 1 1 59 59 ILE CB C 13 38.52 0.2 . 9 . . . . 58 ILE CB . 6906 1 762 . 1 1 59 59 ILE CG1 C 13 28.73 0.2 . 9 . . . . 58 ILE CG1 . 6906 1 763 . 1 1 59 59 ILE CG2 C 13 17.13 0.2 . 9 . . . . 58 ILE CG2 . 6906 1 764 . 1 1 59 59 ILE CD1 C 13 13.74 0.2 . 9 . . . . 58 ILE CD1 . 6906 1 765 . 1 1 59 59 ILE N N 15 119.3 0.2 . 9 . . . . 58 ILE N . 6906 1 766 . 1 1 60 60 GLN H H 1 8.082 0.02 . 9 . . . . 59 GLN H . 6906 1 767 . 1 1 60 60 GLN HA H 1 4.154 0.02 . 9 . . . . 59 GLN HA . 6906 1 768 . 1 1 60 60 GLN HB2 H 1 2.092 0.02 . 9 . . . . 59 GLN HB2 . 6906 1 769 . 1 1 60 60 GLN HB3 H 1 1.99 0.02 . 9 . . . . 59 GLN HB3 . 6906 1 770 . 1 1 60 60 GLN HG2 H 1 2.525 0.02 . 9 . . . . 59 GLN HG2 . 6906 1 771 . 1 1 60 60 GLN HG3 H 1 2.37 0.02 . 9 . . . . 59 GLN HG3 . 6906 1 772 . 1 1 60 60 GLN HE21 H 1 7.513 0.02 . 9 . . . . 59 GLN HE21 . 6906 1 773 . 1 1 60 60 GLN HE22 H 1 6.891 0.02 . 9 . . . . 59 GLN HE22 . 6906 1 774 . 1 1 60 60 GLN C C 13 177.8 0.2 . 9 . . . . 59 GLN C . 6906 1 775 . 1 1 60 60 GLN CA C 13 57.76 0.2 . 9 . . . . 59 GLN CA . 6906 1 776 . 1 1 60 60 GLN CB C 13 28.4 0.2 . 9 . . . . 59 GLN CB . 6906 1 777 . 1 1 60 60 GLN CG C 13 34.09 0.2 . 9 . . . . 59 GLN CG . 6906 1 778 . 1 1 60 60 GLN N N 15 119 0.2 . 9 . . . . 59 GLN N . 6906 1 779 . 1 1 60 60 GLN NE2 N 15 111.95 0.2 . 9 . . . . 59 GLN NE2 . 6906 1 780 . 1 1 61 61 SER H H 1 8.143 0.02 . 9 . . . . 60 SER H . 6906 1 781 . 1 1 61 61 SER HA H 1 4.274 0.02 . 9 . . . . 60 SER HA . 6906 1 782 . 1 1 61 61 SER HB2 H 1 3.919 0.02 . 9 . . . . 60 SER HB2 . 6906 1 783 . 1 1 61 61 SER HB3 H 1 3.835 0.02 . 9 . . . . 60 SER HB3 . 6906 1 784 . 1 1 61 61 SER C C 13 175.5 0.2 . 9 . . . . 60 SER C . 6906 1 785 . 1 1 61 61 SER CA C 13 60.2 0.2 . 9 . . . . 60 SER CA . 6906 1 786 . 1 1 61 61 SER CB C 13 63.352 0.2 . 9 . . . . 60 SER CB . 6906 1 787 . 1 1 61 61 SER N N 15 115.9 0.2 . 9 . . . . 60 SER N . 6906 1 788 . 1 1 62 62 ASP H H 1 8.201 0.02 . 9 . . . . 61 ASP H . 6906 1 789 . 1 1 62 62 ASP HA H 1 4.574 0.02 . 9 . . . . 61 ASP HA . 6906 1 790 . 1 1 62 62 ASP HB2 H 1 2.742 0.02 . 9 . . . . 61 ASP HB2 . 6906 1 791 . 1 1 62 62 ASP HB3 H 1 2.66 0.02 . 9 . . . . 61 ASP HB3 . 6906 1 792 . 1 1 62 62 ASP C C 13 176.984 0.2 . 9 . . . . 61 ASP C . 6906 1 793 . 1 1 62 62 ASP CA C 13 55.4 0.2 . 9 . . . . 61 ASP CA . 6906 1 794 . 1 1 62 62 ASP CB C 13 40.85 0.2 . 9 . . . . 61 ASP CB . 6906 1 795 . 1 1 62 62 ASP N N 15 122.1 0.2 . 9 . . . . 61 ASP N . 6906 1 796 . 1 1 63 63 GLN H H 1 7.95 0.02 . 9 . . . . 62 GLN H . 6906 1 797 . 1 1 63 63 GLN HA H 1 4.23 0.02 . 9 . . . . 62 GLN HA . 6906 1 798 . 1 1 63 63 GLN HB2 H 1 2.066 0.02 . 9 . . . . 62 GLN HB2 . 6906 1 799 . 1 1 63 63 GLN HB3 H 1 1.99 0.02 . 9 . . . . 62 GLN HB3 . 6906 1 800 . 1 1 63 63 GLN HG2 H 1 2.428 0.02 . 9 . . . . 62 GLN HG2 . 6906 1 801 . 1 1 63 63 GLN HG3 H 1 2.358 0.02 . 9 . . . . 62 GLN HG3 . 6906 1 802 . 1 1 63 63 GLN HE21 H 1 7.489 0.02 . 9 . . . . 62 GLN HE21 . 6906 1 803 . 1 1 63 63 GLN HE22 H 1 6.865 0.02 . 9 . . . . 62 GLN HE22 . 6906 1 804 . 1 1 63 63 GLN C C 13 176.167 0.2 . 9 . . . . 62 GLN C . 6906 1 805 . 1 1 63 63 GLN CA C 13 56.48 0.2 . 9 . . . . 62 GLN CA . 6906 1 806 . 1 1 63 63 GLN CB C 13 29.1 0.2 . 9 . . . . 62 GLN CB . 6906 1 807 . 1 1 63 63 GLN CG C 13 33.9 0.2 . 9 . . . . 62 GLN CG . 6906 1 808 . 1 1 63 63 GLN N N 15 119.02 0.2 . 9 . . . . 62 GLN N . 6906 1 809 . 1 1 63 63 GLN NE2 N 15 112.36 0.2 . 9 . . . . 62 GLN NE2 . 6906 1 810 . 1 1 64 64 HIS H H 1 8.24 0.02 . 9 . . . . 63 HIS H . 6906 1 811 . 1 1 64 64 HIS HA H 1 4.657 0.02 . 9 . . . . 63 HIS HA . 6906 1 812 . 1 1 64 64 HIS HB2 H 1 3.295 0.02 . 9 . . . . 63 HIS HB2 . 6906 1 813 . 1 1 64 64 HIS HB3 H 1 3.19 0.02 . 9 . . . . 63 HIS HB3 . 6906 1 814 . 1 1 64 64 HIS HD2 H 1 7.238 0.02 . 9 . . . . 63 HIS HD2 . 6906 1 815 . 1 1 64 64 HIS HE1 H 1 8.385 0.02 . 9 . . . . 63 HIS HE1 . 6906 1 816 . 1 1 64 64 HIS C C 13 174.767 0.2 . 9 . . . . 63 HIS C . 6906 1 817 . 1 1 64 64 HIS CA C 13 55.8 0.2 . 9 . . . . 63 HIS CA . 6906 1 818 . 1 1 64 64 HIS CB C 13 29.06 0.2 . 9 . . . . 63 HIS CB . 6906 1 819 . 1 1 64 64 HIS CD2 C 13 120.0 0.2 . 9 . . . . 63 HIS CD2 . 6906 1 820 . 1 1 64 64 HIS CE1 C 13 137 0.2 . 9 . . . . 63 HIS CE1 . 6906 1 821 . 1 1 64 64 HIS N N 15 118.7 0.2 . 9 . . . . 63 HIS N . 6906 1 822 . 1 1 65 65 LYS H H 1 8.185 0.02 . 9 . . . . 64 LYS H . 6906 1 823 . 1 1 65 65 LYS HA H 1 4.33 0.02 . 9 . . . . 64 LYS HA . 6906 1 824 . 1 1 65 65 LYS HB2 H 1 1.855 0.02 . 9 . . . . 64 LYS HB2 . 6906 1 825 . 1 1 65 65 LYS HB3 H 1 1.774 0.02 . 9 . . . . 64 LYS HB3 . 6906 1 826 . 1 1 65 65 LYS HG2 H 1 1.448 0.02 . 9 . . . . 64 LYS HG2 . 6906 1 827 . 1 1 65 65 LYS HD2 H 1 1.699 0.02 . 9 . . . . 64 LYS HD2 . 6906 1 828 . 1 1 65 65 LYS HZ1 H 1 3.018 0.02 . 9 . . . . 64 LYS HZ . 6906 1 829 . 1 1 65 65 LYS HZ2 H 1 3.018 0.02 . 9 . . . . 64 LYS HZ . 6906 1 830 . 1 1 65 65 LYS HZ3 H 1 3.018 0.02 . 9 . . . . 64 LYS HZ . 6906 1 831 . 1 1 65 65 LYS C C 13 176.3 0.2 . 9 . . . . 64 LYS C . 6906 1 832 . 1 1 65 65 LYS CA C 13 56.56 0.2 . 9 . . . . 64 LYS CA . 6906 1 833 . 1 1 65 65 LYS CB C 13 33.13 0.2 . 9 . . . . 64 LYS CB . 6906 1 834 . 1 1 65 65 LYS CG C 13 24.61 0.2 . 9 . . . . 64 LYS CG . 6906 1 835 . 1 1 65 65 LYS CD C 13 29.12 0.2 . 9 . . . . 64 LYS CD . 6906 1 836 . 1 1 65 65 LYS CE C 13 42.16 0.2 . 9 . . . . 64 LYS CE . 6906 1 837 . 1 1 65 65 LYS N N 15 122.3 0.2 . 9 . . . . 64 LYS N . 6906 1 838 . 1 1 65 65 LYS NZ N 15 124.7 0.2 . 9 . . . . 64 LYS NZ . 6906 1 839 . 1 1 66 66 ASP H H 1 8.502 0.02 . 9 . . . . 65 ASP H . 6906 1 840 . 1 1 66 66 ASP HA H 1 4.605 0.02 . 9 . . . . 65 ASP HA . 6906 1 841 . 1 1 66 66 ASP HB2 H 1 2.726 0.02 . 9 . . . . 65 ASP HB2 . 6906 1 842 . 1 1 66 66 ASP HB3 H 1 2.65 0.02 . 9 . . . . 65 ASP HB3 . 6906 1 843 . 1 1 66 66 ASP C C 13 176.037 0.2 . 9 . . . . 65 ASP C . 6906 1 844 . 1 1 66 66 ASP CA C 13 54.66 0.2 . 9 . . . . 65 ASP CA . 6906 1 845 . 1 1 66 66 ASP CB C 13 41.05 0.2 . 9 . . . . 65 ASP CB . 6906 1 846 . 1 1 66 66 ASP N N 15 121.3 0.2 . 9 . . . . 65 ASP N . 6906 1 847 . 1 1 67 67 GLN H H 1 8.295 0.02 . 9 . . . . 66 GLN H . 6906 1 848 . 1 1 67 67 GLN HA H 1 4.43 0.02 . 9 . . . . 66 GLN HA . 6906 1 849 . 1 1 67 67 GLN HB2 H 1 2.21 0.02 . 9 . . . . 66 GLN HB2 . 6906 1 850 . 1 1 67 67 GLN HB3 H 1 1.995 0.02 . 9 . . . . 66 GLN HB3 . 6906 1 851 . 1 1 67 67 GLN HG2 H 1 2.38 0.02 . 9 . . . . 66 GLN HG2 . 6906 1 852 . 1 1 67 67 GLN HE21 H 1 7.612 0.02 . 9 . . . . 66 GLN HE21 . 6906 1 853 . 1 1 67 67 GLN HE22 H 1 6.868 0.02 . 9 . . . . 66 GLN HE22 . 6906 1 854 . 1 1 67 67 GLN CA C 13 55.8 0.2 . 9 . . . . 66 GLN CA . 6906 1 855 . 1 1 67 67 GLN CB C 13 29.7 0.2 . 9 . . . . 66 GLN CB . 6906 1 856 . 1 1 67 67 GLN CG C 13 33.93 0.2 . 9 . . . . 66 GLN CG . 6906 1 857 . 1 1 67 67 GLN N N 15 120.7 0.2 . 9 . . . . 66 GLN N . 6906 1 858 . 1 1 67 67 GLN NE2 N 15 112.8 0.2 . 9 . . . . 66 GLN NE2 . 6906 1 859 . 1 1 68 68 SER H H 1 8.075 0.02 . 9 . . . . 67 SER H . 6906 1 860 . 1 1 68 68 SER HA H 1 4.27 0.02 . 9 . . . . 67 SER HA . 6906 1 861 . 1 1 68 68 SER HB2 H 1 3.87 0.02 . 9 . . . . 67 SER HB2 . 6906 1 862 . 1 1 68 68 SER CA C 13 60.35 0.2 . 9 . . . . 67 SER CA . 6906 1 863 . 1 1 68 68 SER CB C 13 64.8 0.2 . 9 . . . . 67 SER CB . 6906 1 864 . 1 1 68 68 SER N N 15 123.329 0.2 . 9 . . . . 67 SER N . 6906 1 stop_ save_