data_16635 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16635 _Entry.Title ; Solution structure of the N-terminal domain of Bacillus subtilis delta subunit of RNA polymerase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-12-16 _Entry.Accession_date 2009-12-16 _Entry.Last_release_date 2010-05-05 _Entry.Original_release_date 2010-05-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Veronika Motackova . . . 16635 2 Hana Sanderova . . . 16635 3 Lukas Zidek . . . 16635 4 Jiri Novacek . . . 16635 5 Petr Padrta . . . 16635 6 Alzbeta Svenkova . . . 16635 7 Jiri Jonak . . . 16635 8 Libor Krasny . . . 16635 9 Vladimir Sklenar . . . 16635 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 16635 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'delta subunit' . 16635 'gram-positive bacteria' . 16635 'nuclear magnetic resonance' . 16635 'RNA polymerase' . 16635 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16635 coupling_constants 1 16635 RDCs 2 16635 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 452 16635 '15N chemical shifts' 105 16635 '1H chemical shifts' 715 16635 'coupling constants' 87 16635 'residual dipolar couplings' 346 16635 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-05-05 2009-12-16 original author . 16635 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16635 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20310067 _Citation.Full_citation . _Citation.Title 'Solution structure of the N-terminal domain of Bacillus subtilis delta subunit of RNA polymerase and its classification based on structural homologs.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 78 _Citation.Journal_issue 7 _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 1807 _Citation.Page_last 1810 _Citation.Year 2010 _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 Veronika Motackova . . . 16635 1 2 Hana Sanderova . . . 16635 1 3 Lukas Zidek . . . 16635 1 4 Jiri Novacek . . . 16635 1 5 Petr Padrta . . . 16635 1 6 Alzbeta Svenkova . . . 16635 1 7 Jana Korelusova . . . 16635 1 8 Jiri Jonak . . . 16635 1 9 Libor Krasny . . . 16635 1 10 Vladimir Sklenar . . . 16635 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'delta subunit' 16635 1 'gram-positive bacteria' 16635 1 'nuclear magnetic resonance' 16635 1 'RNA polymerase' 16635 1 'structural homologues' 16635 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16635 _Assembly.ID 1 _Assembly.Name N_delta _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 11753 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 N_delta 1 $N_delta A . yes native no no . . . 16635 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_N_delta _Entity.Sf_category entity _Entity.Sf_framecode N_delta _Entity.Entry_ID 16635 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name N_delta _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GIKQYSQEELKEMALVEIAH ELFEEHKKPVPFQELLNEIA SLLGVKKEELGDRIAQFYTD LNIDGRFLALSDQTWGLRSW YPYDQLDEETQLEHHHHHH ; _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16912 . delta . . . . . 91.92 172 100.00 100.00 1.07e-58 . . . . 16635 1 2 no BMRB 18903 . delta . . . . . 91.92 172 100.00 100.00 1.07e-58 . . . . 16635 1 3 no BMRB 19284 . delta . . . . . 91.92 172 100.00 100.00 1.07e-58 . . . . 16635 1 4 no PDB 2KRC . "Solution Structure Of The N-Terminal Domain Of Bacillus Subtilis Delta Subunit Of Rna Polymerase" . . . . . 100.00 99 100.00 100.00 2.84e-64 . . . . 16635 1 5 no PDB 2M4K . "Solution Structure Of The Delta Subunit Of Rna Polymerase From Bacillus Subtilis" . . . . . 80.81 81 100.00 100.00 2.54e-49 . . . . 16635 1 6 no PDB 4NC7 . "N-terminal Domain Of Delta-subunit Of Rna Polymerase Complexed With I3c And Nickel Ions" . . . . . 100.00 99 100.00 100.00 2.84e-64 . . . . 16635 1 7 no PDB 4NC8 . "N-terminal Domain Of Delta-subunit Of Rna Polymerase Complexed With Nickel Ions" . . . . . 100.00 99 100.00 100.00 2.84e-64 . . . . 16635 1 8 no DBJ BAM55799 . "DNA-directed RNA polymerase subunit delta [Bacillus subtilis BEST7613]" . . . . . 91.92 173 100.00 100.00 9.08e-59 . . . . 16635 1 9 no DBJ BAM59811 . "DNA-directed RNA polymerase subunit delta [Bacillus subtilis BEST7003]" . . . . . 91.92 173 100.00 100.00 9.08e-59 . . . . 16635 1 10 no DBJ BAO93636 . "hypothetical protein BSNT_10373 [Bacillus subtilis subsp. natto BEST195]" . . . . . 91.92 168 100.00 100.00 8.96e-59 . . . . 16635 1 11 no DBJ GAK81030 . "DNA-directed RNA polymerase subunit delta [Bacillus subtilis Miyagi-4]" . . . . . 91.92 168 100.00 100.00 8.96e-59 . . . . 16635 1 12 no EMBL CAA89869 . "RNA polymerase delta subunit [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 91.92 173 100.00 100.00 9.08e-59 . . . . 16635 1 13 no EMBL CAB15744 . "RNA polymerase (delta subunit) [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 91.92 173 100.00 100.00 9.08e-59 . . . . 16635 1 14 no EMBL CCU60814 . "DNA-directed RNA polymerase delta subunit [Bacillus subtilis E1]" . . . . . 91.92 173 100.00 100.00 9.69e-59 . . . . 16635 1 15 no EMBL CEI59524 . "DNA-directed RNA polymerase subunit delta [Bacillus subtilis]" . . . . . 91.92 173 100.00 100.00 9.08e-59 . . . . 16635 1 16 no EMBL CEJ79381 . "DNA-directed RNA polymerase subunit delta [Bacillus sp.]" . . . . . 91.92 173 100.00 100.00 9.08e-59 . . . . 16635 1 17 no GB AAA22710 . "rpoE protein (ttg start codon) [Bacillus subtilis]" . . . . . 91.92 173 100.00 100.00 9.08e-59 . . . . 16635 1 18 no GB ADM39706 . "DNA-directed RNA polymerase subunit delta [Bacillus subtilis subsp. spizizenii str. W23]" . . . . . 91.92 173 98.90 98.90 5.00e-58 . . . . 16635 1 19 no GB ADV94526 . "DNA-directed RNA polymerase subunit delta [Bacillus subtilis BSn5]" . . . . . 91.92 173 100.00 100.00 9.48e-59 . . . . 16635 1 20 no GB AEP88664 . "DNA-directed RNA polymerase, delta subunit [Bacillus subtilis subsp. spizizenii TU-B-10]" . . . . . 91.92 139 98.90 98.90 1.59e-57 . . . . 16635 1 21 no GB AEP92774 . "hypothetical protein I33_3861 [Bacillus subtilis subsp. subtilis str. RO-NN-1]" . . . . . 91.92 173 98.90 98.90 4.53e-58 . . . . 16635 1 22 no REF NP_391597 . "DNA-directed RNA polymerase subunit delta [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 91.92 173 100.00 100.00 9.08e-59 . . . . 16635 1 23 no REF WP_003221959 . "MULTISPECIES: DNA-directed RNA polymerase subunit delta [Bacillus]" . . . . . 91.92 173 98.90 98.90 5.00e-58 . . . . 16635 1 24 no REF WP_003227609 . "MULTISPECIES: DNA-directed RNA polymerase subunit delta [Bacillus]" . . . . . 91.92 173 100.00 100.00 9.69e-59 . . . . 16635 1 25 no REF WP_003235832 . "DNA-directed RNA polymerase subunit delta [Bacillus subtilis]" . . . . . 91.92 173 98.90 98.90 6.56e-58 . . . . 16635 1 26 no REF WP_003243661 . "MULTISPECIES: DNA-directed RNA polymerase subunit delta [Bacillus]" . . . . . 91.92 173 100.00 100.00 9.08e-59 . . . . 16635 1 27 no SP P12464 . "RecName: Full=DNA-directed RNA polymerase subunit delta; AltName: Full=RNAP delta factor" . . . . . 91.92 173 100.00 100.00 9.08e-59 . . . . 16635 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 2 GLY . 16635 1 2 3 ILE . 16635 1 3 4 LYS . 16635 1 4 5 GLN . 16635 1 5 6 TYR . 16635 1 6 7 SER . 16635 1 7 8 GLN . 16635 1 8 9 GLU . 16635 1 9 10 GLU . 16635 1 10 11 LEU . 16635 1 11 12 LYS . 16635 1 12 13 GLU . 16635 1 13 14 MET . 16635 1 14 15 ALA . 16635 1 15 16 LEU . 16635 1 16 17 VAL . 16635 1 17 18 GLU . 16635 1 18 19 ILE . 16635 1 19 20 ALA . 16635 1 20 21 HIS . 16635 1 21 22 GLU . 16635 1 22 23 LEU . 16635 1 23 24 PHE . 16635 1 24 25 GLU . 16635 1 25 26 GLU . 16635 1 26 27 HIS . 16635 1 27 28 LYS . 16635 1 28 29 LYS . 16635 1 29 30 PRO . 16635 1 30 31 VAL . 16635 1 31 32 PRO . 16635 1 32 33 PHE . 16635 1 33 34 GLN . 16635 1 34 35 GLU . 16635 1 35 36 LEU . 16635 1 36 37 LEU . 16635 1 37 38 ASN . 16635 1 38 39 GLU . 16635 1 39 40 ILE . 16635 1 40 41 ALA . 16635 1 41 42 SER . 16635 1 42 43 LEU . 16635 1 43 44 LEU . 16635 1 44 45 GLY . 16635 1 45 46 VAL . 16635 1 46 47 LYS . 16635 1 47 48 LYS . 16635 1 48 49 GLU . 16635 1 49 50 GLU . 16635 1 50 51 LEU . 16635 1 51 52 GLY . 16635 1 52 53 ASP . 16635 1 53 54 ARG . 16635 1 54 55 ILE . 16635 1 55 56 ALA . 16635 1 56 57 GLN . 16635 1 57 58 PHE . 16635 1 58 59 TYR . 16635 1 59 60 THR . 16635 1 60 61 ASP . 16635 1 61 62 LEU . 16635 1 62 63 ASN . 16635 1 63 64 ILE . 16635 1 64 65 ASP . 16635 1 65 66 GLY . 16635 1 66 67 ARG . 16635 1 67 68 PHE . 16635 1 68 69 LEU . 16635 1 69 70 ALA . 16635 1 70 71 LEU . 16635 1 71 72 SER . 16635 1 72 73 ASP . 16635 1 73 74 GLN . 16635 1 74 75 THR . 16635 1 75 76 TRP . 16635 1 76 77 GLY . 16635 1 77 78 LEU . 16635 1 78 79 ARG . 16635 1 79 80 SER . 16635 1 80 81 TRP . 16635 1 81 82 TYR . 16635 1 82 83 PRO . 16635 1 83 84 TYR . 16635 1 84 85 ASP . 16635 1 85 86 GLN . 16635 1 86 87 LEU . 16635 1 87 88 ASP . 16635 1 88 89 GLU . 16635 1 89 90 GLU . 16635 1 90 91 THR . 16635 1 91 92 GLN . 16635 1 92 93 LEU . 16635 1 93 94 GLU . 16635 1 94 95 HIS . 16635 1 95 96 HIS . 16635 1 96 97 HIS . 16635 1 97 98 HIS . 16635 1 98 99 HIS . 16635 1 99 100 HIS . 16635 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 16635 1 . ILE 2 2 16635 1 . LYS 3 3 16635 1 . GLN 4 4 16635 1 . TYR 5 5 16635 1 . SER 6 6 16635 1 . GLN 7 7 16635 1 . GLU 8 8 16635 1 . GLU 9 9 16635 1 . LEU 10 10 16635 1 . LYS 11 11 16635 1 . GLU 12 12 16635 1 . MET 13 13 16635 1 . ALA 14 14 16635 1 . LEU 15 15 16635 1 . VAL 16 16 16635 1 . GLU 17 17 16635 1 . ILE 18 18 16635 1 . ALA 19 19 16635 1 . HIS 20 20 16635 1 . GLU 21 21 16635 1 . LEU 22 22 16635 1 . PHE 23 23 16635 1 . GLU 24 24 16635 1 . GLU 25 25 16635 1 . HIS 26 26 16635 1 . LYS 27 27 16635 1 . LYS 28 28 16635 1 . PRO 29 29 16635 1 . VAL 30 30 16635 1 . PRO 31 31 16635 1 . PHE 32 32 16635 1 . GLN 33 33 16635 1 . GLU 34 34 16635 1 . LEU 35 35 16635 1 . LEU 36 36 16635 1 . ASN 37 37 16635 1 . GLU 38 38 16635 1 . ILE 39 39 16635 1 . ALA 40 40 16635 1 . SER 41 41 16635 1 . LEU 42 42 16635 1 . LEU 43 43 16635 1 . GLY 44 44 16635 1 . VAL 45 45 16635 1 . LYS 46 46 16635 1 . LYS 47 47 16635 1 . GLU 48 48 16635 1 . GLU 49 49 16635 1 . LEU 50 50 16635 1 . GLY 51 51 16635 1 . ASP 52 52 16635 1 . ARG 53 53 16635 1 . ILE 54 54 16635 1 . ALA 55 55 16635 1 . GLN 56 56 16635 1 . PHE 57 57 16635 1 . TYR 58 58 16635 1 . THR 59 59 16635 1 . ASP 60 60 16635 1 . LEU 61 61 16635 1 . ASN 62 62 16635 1 . ILE 63 63 16635 1 . ASP 64 64 16635 1 . GLY 65 65 16635 1 . ARG 66 66 16635 1 . PHE 67 67 16635 1 . LEU 68 68 16635 1 . ALA 69 69 16635 1 . LEU 70 70 16635 1 . SER 71 71 16635 1 . ASP 72 72 16635 1 . GLN 73 73 16635 1 . THR 74 74 16635 1 . TRP 75 75 16635 1 . GLY 76 76 16635 1 . LEU 77 77 16635 1 . ARG 78 78 16635 1 . SER 79 79 16635 1 . TRP 80 80 16635 1 . TYR 81 81 16635 1 . PRO 82 82 16635 1 . TYR 83 83 16635 1 . ASP 84 84 16635 1 . GLN 85 85 16635 1 . LEU 86 86 16635 1 . ASP 87 87 16635 1 . GLU 88 88 16635 1 . GLU 89 89 16635 1 . THR 90 90 16635 1 . GLN 91 91 16635 1 . LEU 92 92 16635 1 . GLU 93 93 16635 1 . HIS 94 94 16635 1 . HIS 95 95 16635 1 . HIS 96 96 16635 1 . HIS 97 97 16635 1 . HIS 98 98 16635 1 . HIS 99 99 16635 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16635 _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 $N_delta . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 16635 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 16635 _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 $N_delta . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET22b . . . . . . 16635 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16635 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 N_delta . . . 1 $N_delta . . . . . mM . . . . 16635 1 2 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 16635 1 3 'sodium azide' 'natural abundance' . . . . . . 50 . . uM . . . . 16635 1 4 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 16635 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16635 _Sample.ID 2 _Sample.Type 'filamentous phage' _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 N_delta . . . 1 $N_delta . . . . . mM . . . . 16635 2 2 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 16635 2 3 'sodium azide' 'natural abundance' . . . . . . 50 . . uM . . . . 16635 2 4 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 16635 2 5 'filamentous Pf1 bacteriophage' 'natural abundance' . . . . . . 14.29 . . mg/ml . . . . 16635 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16635 _Sample.ID 3 _Sample.Type gel _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 N_delta . . . 1 $N_delta . . . . . mM . . . . 16635 3 2 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 16635 3 3 'sodium azide' 'natural abundance' . . . . . . 50 . . uM . . . . 16635 3 4 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 16635 3 5 'polyacrylamide gel' 'natural abundance' . . . . . . 5 . . % . . . . 16635 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16635 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . mM 16635 1 pH 6.6 . pH 16635 1 pressure 1 . atm 16635 1 temperature 301 . K 16635 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16635 _Software.ID 1 _Software.Name NMRPipe _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16635 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16635 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16635 _Software.ID 2 _Software.Name NMRDraw _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16635 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16635 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16635 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.111 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16635 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16635 3 'peak picking' 16635 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 16635 _Software.ID 4 _Software.Name ARIA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 16635 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NOE assignment' 16635 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16635 _Software.ID 5 _Software.Name CNS _Software.Version TENSO _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16635 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16635 5 'structure solution' 16635 5 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 16635 _Software.ID 6 _Software.Name X-PLOR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Brunger . . 16635 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16635 6 stop_ save_ save_S3EPY _Software.Sf_category software _Software.Sf_framecode S3EPY _Software.Entry_ID 16635 _Software.ID 7 _Software.Name S3EPY _Software.Version . _Software.Details http://www.ncbr.chemi.muni.cz/s3epy loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Petr Novak' . . 16635 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'dipolar coupling determination' 16635 7 'peak picking' 16635 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16635 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16635 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 16635 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16635 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16635 1 2 '2D 1H-13C HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16635 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16635 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16635 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16635 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16635 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16635 1 8 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16635 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16635 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16635 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16635 1 12 (HB)CB(CGCD)HD no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16635 1 13 '2D 1H-15N IPAP' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16635 1 14 '2D HN[C]-S3E' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16635 1 15 '2D (H)CACO-IPAP' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16635 1 16 '2D 13C-coupled 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16635 1 17 '2D 1H-15N IPAP' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16635 1 18 '2D HN[C]-S3E' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16635 1 19 '2D (H)CACO-IPAP' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16635 1 20 '2D 13C-coupled 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16635 1 21 '2D 13C-detected CON' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16635 1 22 '2D 13C-detected CON' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16635 1 23 '2D 1H-15N IPAP' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16635 1 24 '2D HN[C]-S3E' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16635 1 25 '2D (H)CACO-IPAP' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16635 1 26 '2D 13C-coupled 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16635 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16635 _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 carbons' . . . . ppm 0 na indirect 0.251449530 . . . . . . . . . 16635 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 16635 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 na direct 1.0 . . . . . . . . . 16635 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16635 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16635 1 3 '3D CBCA(CO)NH' . . . 16635 1 4 '3D HNCACB' . . . 16635 1 5 '3D HNCA' . . . 16635 1 6 '3D HN(CO)CA' . . . 16635 1 7 '3D HNCO' . . . 16635 1 9 '3D HCCH-TOCSY' . . . 16635 1 10 '3D 1H-15N NOESY' . . . 16635 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 16635 1 2 $NMRDraw . . 16635 1 3 $SPARKY . . 16635 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 3.934 0.004 . 2 2 . . . 2 G HA2 . 16635 1 2 . 1 1 1 1 GLY HA3 H 1 3.968 0.000 . 2 2 . . . 2 G HA3 . 16635 1 3 . 1 1 1 1 GLY C C 13 171.698 0.000 . 1 1 . . . 2 G C . 16635 1 4 . 1 1 1 1 GLY CA C 13 43.680 0.014 . 1 3 . . . 2 G CA . 16635 1 5 . 1 1 2 2 ILE H H 1 8.983 0.002 . 1 5 . . . 3 I H . 16635 1 6 . 1 1 2 2 ILE HA H 1 4.103 0.004 . 1 12 . . . 3 I HA . 16635 1 7 . 1 1 2 2 ILE HB H 1 1.830 0.001 . 1 12 . . . 3 I HB . 16635 1 8 . 1 1 2 2 ILE HD11 H 1 0.860 0.001 . . 10 . . . 3 I HD1 . 16635 1 9 . 1 1 2 2 ILE HD12 H 1 0.860 0.001 . . 10 . . . 3 I HD1 . 16635 1 10 . 1 1 2 2 ILE HD13 H 1 0.860 0.001 . . 10 . . . 3 I HD1 . 16635 1 11 . 1 1 2 2 ILE HG12 H 1 1.505 0.002 . 2 10 . . . 3 I HG12 . 16635 1 12 . 1 1 2 2 ILE HG13 H 1 1.298 0.001 . 2 10 . . . 3 I HG13 . 16635 1 13 . 1 1 2 2 ILE HG21 H 1 0.913 0.001 . . 10 . . . 3 I HG2 . 16635 1 14 . 1 1 2 2 ILE HG22 H 1 0.913 0.001 . . 10 . . . 3 I HG2 . 16635 1 15 . 1 1 2 2 ILE HG23 H 1 0.913 0.001 . . 10 . . . 3 I HG2 . 16635 1 16 . 1 1 2 2 ILE C C 13 176.333 0.000 . 1 1 . . . 3 I C . 16635 1 17 . 1 1 2 2 ILE CA C 13 61.603 0.010 . 1 7 . . . 3 I CA . 16635 1 18 . 1 1 2 2 ILE CB C 13 39.019 0.044 . 1 7 . . . 3 I CB . 16635 1 19 . 1 1 2 2 ILE CD1 C 13 14.143 0.010 . 1 5 . . . 3 I CD1 . 16635 1 20 . 1 1 2 2 ILE CG1 C 13 28.256 0.016 . 1 10 . . . 3 I CG1 . 16635 1 21 . 1 1 2 2 ILE CG2 C 13 18.580 0.009 . 1 5 . . . 3 I CG2 . 16635 1 22 . 1 1 2 2 ILE N N 15 121.345 0.018 . 1 5 . . . 3 I N . 16635 1 23 . 1 1 3 3 LYS H H 1 8.422 0.002 . 1 4 . . . 4 K H . 16635 1 24 . 1 1 3 3 LYS HA H 1 4.143 0.006 . 1 12 . . . 4 K HA . 16635 1 25 . 1 1 3 3 LYS HB2 H 1 1.795 0.002 . 2 9 . . . 4 K HB2 . 16635 1 26 . 1 1 3 3 LYS HB3 H 1 1.696 0.002 . 2 5 . . . 4 K HB3 . 16635 1 27 . 1 1 3 3 LYS HD2 H 1 1.632 0.002 . 2 3 . . . 4 K QD . 16635 1 28 . 1 1 3 3 LYS HD3 H 1 1.632 0.002 . 2 3 . . . 4 K QD . 16635 1 29 . 1 1 3 3 LYS HE2 H 1 2.929 0.003 . 2 10 . . . 4 K QE . 16635 1 30 . 1 1 3 3 LYS HE3 H 1 2.929 0.003 . 2 10 . . . 4 K QE . 16635 1 31 . 1 1 3 3 LYS HG2 H 1 1.449 0.002 . 2 7 . . . 4 K HG2 . 16635 1 32 . 1 1 3 3 LYS HG3 H 1 1.356 0.010 . 2 6 . . . 4 K HG3 . 16635 1 33 . 1 1 3 3 LYS C C 13 176.771 0.000 . 1 1 . . . 4 K C . 16635 1 34 . 1 1 3 3 LYS CA C 13 57.599 0.024 . 1 7 . . . 4 K CA . 16635 1 35 . 1 1 3 3 LYS CB C 13 31.533 0.010 . 1 9 . . . 4 K CB . 16635 1 36 . 1 1 3 3 LYS CD C 13 28.956 0.003 . 1 2 . . . 4 K CD . 16635 1 37 . 1 1 3 3 LYS CE C 13 42.091 0.005 . 1 4 . . . 4 K CE . 16635 1 38 . 1 1 3 3 LYS CG C 13 25.537 0.017 . 1 6 . . . 4 K CG . 16635 1 39 . 1 1 3 3 LYS N N 15 119.692 0.017 . 1 4 . . . 4 K N . 16635 1 40 . 1 1 4 4 GLN H H 1 7.824 0.002 . 1 4 . . . 5 Q H . 16635 1 41 . 1 1 4 4 GLN HA H 1 4.192 0.002 . 1 5 . . . 5 Q HA . 16635 1 42 . 1 1 4 4 GLN HB2 H 1 1.895 0.003 . 2 6 . . . 5 Q QB . 16635 1 43 . 1 1 4 4 GLN HB3 H 1 1.895 0.003 . 2 6 . . . 5 Q QB . 16635 1 44 . 1 1 4 4 GLN HE21 H 1 7.296 0.000 . 2 1 . . . 5 Q HE21 . 16635 1 45 . 1 1 4 4 GLN HE22 H 1 6.745 0.000 . 2 1 . . . 5 Q HE22 . 16635 1 46 . 1 1 4 4 GLN HG2 H 1 2.113 0.002 . 2 7 . . . 5 Q HG2 . 16635 1 47 . 1 1 4 4 GLN HG3 H 1 1.802 0.004 . 2 8 . . . 5 Q HG3 . 16635 1 48 . 1 1 4 4 GLN C C 13 175.902 0.000 . 1 1 . . . 5 Q C . 16635 1 49 . 1 1 4 4 GLN CA C 13 56.389 0.007 . 1 3 . . . 5 Q CA . 16635 1 50 . 1 1 4 4 GLN CB C 13 28.628 0.014 . 1 4 . . . 5 Q CB . 16635 1 51 . 1 1 4 4 GLN CG C 13 34.005 0.032 . 1 8 . . . 5 Q CG . 16635 1 52 . 1 1 4 4 GLN N N 15 117.063 0.014 . 1 4 . . . 5 Q N . 16635 1 53 . 1 1 4 4 GLN NE2 N 15 112.816 0.021 . 1 2 . . . 5 Q NE2 . 16635 1 54 . 1 1 5 5 TYR H H 1 7.274 0.002 . 1 4 . . . 6 Y H . 16635 1 55 . 1 1 5 5 TYR HA H 1 4.747 0.000 . 1 2 . . . 6 Y HA . 16635 1 56 . 1 1 5 5 TYR HB2 H 1 3.099 0.001 . 2 3 . . . 6 Y HB2 . 16635 1 57 . 1 1 5 5 TYR HB3 H 1 2.723 0.004 . 2 3 . . . 6 Y HB3 . 16635 1 58 . 1 1 5 5 TYR HD1 H 1 7.105 0.001 . 3 3 . . . 6 Y QD . 16635 1 59 . 1 1 5 5 TYR HD2 H 1 7.105 0.001 . 3 3 . . . 6 Y QD . 16635 1 60 . 1 1 5 5 TYR HE1 H 1 6.702 0.002 . 3 3 . . . 6 Y QE . 16635 1 61 . 1 1 5 5 TYR HE2 H 1 6.702 0.002 . 3 3 . . . 6 Y QE . 16635 1 62 . 1 1 5 5 TYR C C 13 176.234 0.000 . 1 1 . . . 6 Y C . 16635 1 63 . 1 1 5 5 TYR CA C 13 57.449 0.011 . 1 3 . . . 6 Y CA . 16635 1 64 . 1 1 5 5 TYR CB C 13 39.779 0.067 . 1 3 . . . 6 Y CB . 16635 1 65 . 1 1 5 5 TYR CD1 C 13 133.104 0.018 . . 2 . . . 6 Y CD# . 16635 1 66 . 1 1 5 5 TYR CD2 C 13 133.104 0.018 . . 2 . . . 6 Y CD# . 16635 1 67 . 1 1 5 5 TYR CE1 C 13 118.166 0.012 . . 2 . . . 6 Y CE# . 16635 1 68 . 1 1 5 5 TYR CE2 C 13 118.166 0.012 . . 2 . . . 6 Y CE# . 16635 1 69 . 1 1 5 5 TYR N N 15 119.740 0.014 . 1 4 . . . 6 Y N . 16635 1 70 . 1 1 6 6 SER H H 1 9.328 0.001 . 1 4 . . . 7 S H . 16635 1 71 . 1 1 6 6 SER HA H 1 4.587 0.003 . 1 3 . . . 7 S HA . 16635 1 72 . 1 1 6 6 SER HB2 H 1 4.475 0.083 . 2 3 . . . 7 S HB2 . 16635 1 73 . 1 1 6 6 SER HB3 H 1 4.078 0.000 . 2 2 . . . 7 S HB3 . 16635 1 74 . 1 1 6 6 SER C C 13 175.150 0.000 . 1 1 . . . 7 S C . 16635 1 75 . 1 1 6 6 SER CA C 13 57.086 0.057 . 1 3 . . . 7 S CA . 16635 1 76 . 1 1 6 6 SER CB C 13 65.456 0.009 . 1 3 . . . 7 S CB . 16635 1 77 . 1 1 6 6 SER N N 15 118.940 0.024 . 1 4 . . . 7 S N . 16635 1 78 . 1 1 7 7 GLN H H 1 9.045 0.002 . 1 4 . . . 8 Q H . 16635 1 79 . 1 1 7 7 GLN HA H 1 3.943 0.004 . 1 8 . . . 8 Q HA . 16635 1 80 . 1 1 7 7 GLN HB2 H 1 2.142 0.002 . 2 5 . . . 8 Q HB2 . 16635 1 81 . 1 1 7 7 GLN HB3 H 1 2.071 0.005 . 2 5 . . . 8 Q HB3 . 16635 1 82 . 1 1 7 7 GLN HE21 H 1 7.372 0.000 . 2 1 . . . 8 Q HE21 . 16635 1 83 . 1 1 7 7 GLN HE22 H 1 6.963 0.000 . 2 1 . . . 8 Q HE22 . 16635 1 84 . 1 1 7 7 GLN HG2 H 1 2.521 0.004 . 2 10 . . . 8 Q HG2 . 16635 1 85 . 1 1 7 7 GLN HG3 H 1 2.341 0.008 . 2 8 . . . 8 Q HG3 . 16635 1 86 . 1 1 7 7 GLN C C 13 178.141 0.000 . 1 1 . . . 8 Q C . 16635 1 87 . 1 1 7 7 GLN CA C 13 59.960 0.044 . 1 5 . . . 8 Q CA . 16635 1 88 . 1 1 7 7 GLN CB C 13 28.764 0.040 . 1 5 . . . 8 Q CB . 16635 1 89 . 1 1 7 7 GLN CG C 13 34.545 0.028 . 1 10 . . . 8 Q CG . 16635 1 90 . 1 1 7 7 GLN N N 15 121.362 0.011 . 1 4 . . . 8 Q N . 16635 1 91 . 1 1 7 7 GLN NE2 N 15 111.666 0.003 . 1 2 . . . 8 Q NE2 . 16635 1 92 . 1 1 8 8 GLU H H 1 8.559 0.001 . 1 4 . . . 9 E H . 16635 1 93 . 1 1 8 8 GLU HA H 1 3.889 0.003 . 1 8 . . . 9 E HA . 16635 1 94 . 1 1 8 8 GLU HB2 H 1 2.018 0.002 . 2 5 . . . 9 E HB2 . 16635 1 95 . 1 1 8 8 GLU HB3 H 1 1.950 0.005 . 2 4 . . . 9 E HB3 . 16635 1 96 . 1 1 8 8 GLU HG2 H 1 2.394 0.005 . 2 9 . . . 9 E HG2 . 16635 1 97 . 1 1 8 8 GLU HG3 H 1 2.278 0.003 . 2 5 . . . 9 E HG3 . 16635 1 98 . 1 1 8 8 GLU C C 13 179.176 0.000 . 1 1 . . . 9 E C . 16635 1 99 . 1 1 8 8 GLU CA C 13 60.175 0.013 . 1 5 . . . 9 E CA . 16635 1 100 . 1 1 8 8 GLU CB C 13 28.685 0.052 . 1 5 . . . 9 E CB . 16635 1 101 . 1 1 8 8 GLU CG C 13 37.010 0.024 . 1 8 . . . 9 E CG . 16635 1 102 . 1 1 8 8 GLU N N 15 117.075 0.016 . 1 4 . . . 9 E N . 16635 1 103 . 1 1 9 9 GLU H H 1 7.669 0.001 . 1 4 . . . 10 E H . 16635 1 104 . 1 1 9 9 GLU HA H 1 3.962 0.003 . 1 7 . . . 10 E HA . 16635 1 105 . 1 1 9 9 GLU HB2 H 1 2.419 0.004 . 2 8 . . . 10 E HB2 . 16635 1 106 . 1 1 9 9 GLU HB3 H 1 1.911 0.004 . 2 6 . . . 10 E HB3 . 16635 1 107 . 1 1 9 9 GLU HG2 H 1 2.293 0.003 . 2 5 . . . 10 E QG . 16635 1 108 . 1 1 9 9 GLU HG3 H 1 2.293 0.003 . 2 5 . . . 10 E QG . 16635 1 109 . 1 1 9 9 GLU C C 13 180.130 0.000 . 1 1 . . . 10 E C . 16635 1 110 . 1 1 9 9 GLU CA C 13 58.987 0.045 . 1 4 . . . 10 E CA . 16635 1 111 . 1 1 9 9 GLU CB C 13 30.082 0.052 . 1 8 . . . 10 E CB . 16635 1 112 . 1 1 9 9 GLU CG C 13 37.607 0.004 . 1 3 . . . 10 E CG . 16635 1 113 . 1 1 9 9 GLU N N 15 119.186 0.026 . 1 4 . . . 10 E N . 16635 1 114 . 1 1 10 10 LEU H H 1 8.176 0.001 . 1 4 . . . 11 L H . 16635 1 115 . 1 1 10 10 LEU HA H 1 3.897 0.003 . 1 11 . . . 11 L HA . 16635 1 116 . 1 1 10 10 LEU HB2 H 1 1.844 0.006 . 2 11 . . . 11 L HB2 . 16635 1 117 . 1 1 10 10 LEU HB3 H 1 1.228 0.001 . 2 5 . . . 11 L HB3 . 16635 1 118 . 1 1 10 10 LEU HD11 H 1 0.812 0.002 . 2 10 . . . 11 L MD1 . 16635 1 119 . 1 1 10 10 LEU HD12 H 1 0.812 0.002 . 2 10 . . . 11 L MD1 . 16635 1 120 . 1 1 10 10 LEU HD13 H 1 0.812 0.002 . 2 10 . . . 11 L MD1 . 16635 1 121 . 1 1 10 10 LEU HD21 H 1 0.752 0.004 . 2 10 . . . 11 L MD2 . 16635 1 122 . 1 1 10 10 LEU HD22 H 1 0.752 0.004 . 2 10 . . . 11 L MD2 . 16635 1 123 . 1 1 10 10 LEU HD23 H 1 0.752 0.004 . 2 10 . . . 11 L MD2 . 16635 1 124 . 1 1 10 10 LEU HG H 1 1.694 0.008 . 1 11 . . . 11 L HG . 16635 1 125 . 1 1 10 10 LEU C C 13 178.919 0.000 . 1 1 . . . 11 L C . 16635 1 126 . 1 1 10 10 LEU CA C 13 57.910 0.033 . 1 7 . . . 11 L CA . 16635 1 127 . 1 1 10 10 LEU CB C 13 42.253 0.069 . 1 7 . . . 11 L CB . 16635 1 128 . 1 1 10 10 LEU CD1 C 13 26.358 0.014 . 2 6 . . . 11 L CD1 . 16635 1 129 . 1 1 10 10 LEU CD2 C 13 24.194 0.055 . 2 5 . . . 11 L CD2 . 16635 1 130 . 1 1 10 10 LEU CG C 13 26.908 0.063 . 1 6 . . . 11 L CG . 16635 1 131 . 1 1 10 10 LEU N N 15 120.130 0.017 . 1 4 . . . 11 L N . 16635 1 132 . 1 1 11 11 LYS H H 1 7.643 0.002 . 1 4 . . . 12 K H . 16635 1 133 . 1 1 11 11 LYS HA H 1 3.846 0.002 . 1 11 . . . 12 K HA . 16635 1 134 . 1 1 11 11 LYS HB2 H 1 1.893 0.003 . 2 7 . . . 12 K HB2 . 16635 1 135 . 1 1 11 11 LYS HB3 H 1 1.854 0.002 . 2 7 . . . 12 K HB3 . 16635 1 136 . 1 1 11 11 LYS HD2 H 1 1.656 0.004 . 2 7 . . . 12 K QD . 16635 1 137 . 1 1 11 11 LYS HD3 H 1 1.656 0.004 . 2 7 . . . 12 K QD . 16635 1 138 . 1 1 11 11 LYS HE2 H 1 2.930 0.001 . 2 7 . . . 12 K QE . 16635 1 139 . 1 1 11 11 LYS HE3 H 1 2.930 0.001 . 2 7 . . . 12 K QE . 16635 1 140 . 1 1 11 11 LYS HG2 H 1 1.640 0.002 . 2 6 . . . 12 K HG2 . 16635 1 141 . 1 1 11 11 LYS HG3 H 1 1.440 0.004 . 2 5 . . . 12 K HG3 . 16635 1 142 . 1 1 11 11 LYS C C 13 177.277 0.000 . 1 1 . . . 12 K C . 16635 1 143 . 1 1 11 11 LYS CA C 13 59.012 0.014 . 1 6 . . . 12 K CA . 16635 1 144 . 1 1 11 11 LYS CB C 13 32.663 0.062 . 1 7 . . . 12 K CB . 16635 1 145 . 1 1 11 11 LYS CD C 13 29.682 0.027 . 1 3 . . . 12 K CD . 16635 1 146 . 1 1 11 11 LYS CE C 13 42.191 0.014 . 1 2 . . . 12 K CE . 16635 1 147 . 1 1 11 11 LYS CG C 13 25.963 0.020 . 1 9 . . . 12 K CG . 16635 1 148 . 1 1 11 11 LYS N N 15 115.085 0.019 . 1 4 . . . 12 K N . 16635 1 149 . 1 1 12 12 GLU H H 1 7.073 0.002 . 1 4 . . . 13 E H . 16635 1 150 . 1 1 12 12 GLU HA H 1 4.354 0.001 . 1 6 . . . 13 E HA . 16635 1 151 . 1 1 12 12 GLU HB2 H 1 2.228 0.002 . 2 5 . . . 13 E HB2 . 16635 1 152 . 1 1 12 12 GLU HB3 H 1 1.813 0.011 . 2 6 . . . 13 E HB3 . 16635 1 153 . 1 1 12 12 GLU HG2 H 1 2.348 0.006 . 2 6 . . . 13 E HG2 . 16635 1 154 . 1 1 12 12 GLU HG3 H 1 2.221 0.001 . 2 3 . . . 13 E HG3 . 16635 1 155 . 1 1 12 12 GLU C C 13 176.501 0.000 . 1 1 . . . 13 E C . 16635 1 156 . 1 1 12 12 GLU CA C 13 55.504 0.023 . 1 4 . . . 13 E CA . 16635 1 157 . 1 1 12 12 GLU CB C 13 30.382 0.074 . 1 6 . . . 13 E CB . 16635 1 158 . 1 1 12 12 GLU CG C 13 35.864 0.028 . 1 5 . . . 13 E CG . 16635 1 159 . 1 1 12 12 GLU N N 15 115.043 0.009 . 1 4 . . . 13 E N . 16635 1 160 . 1 1 13 13 MET H H 1 7.293 0.001 . 1 4 . . . 14 M H . 16635 1 161 . 1 1 13 13 MET HA H 1 4.163 0.004 . 1 4 . . . 14 M HA . 16635 1 162 . 1 1 13 13 MET HB2 H 1 1.919 0.003 . 2 6 . . . 14 M QB . 16635 1 163 . 1 1 13 13 MET HB3 H 1 1.919 0.003 . 2 6 . . . 14 M QB . 16635 1 164 . 1 1 13 13 MET HE1 H 1 1.452 0.000 . 1 1 . . . 14 M ME . 16635 1 165 . 1 1 13 13 MET HE2 H 1 1.452 0.000 . 1 1 . . . 14 M ME . 16635 1 166 . 1 1 13 13 MET HE3 H 1 1.452 0.000 . 1 1 . . . 14 M ME . 16635 1 167 . 1 1 13 13 MET HG2 H 1 2.554 0.001 . 2 6 . . . 14 M HG2 . 16635 1 168 . 1 1 13 13 MET HG3 H 1 2.399 0.003 . 2 6 . . . 14 M HG3 . 16635 1 169 . 1 1 13 13 MET C C 13 175.466 0.000 . 1 1 . . . 14 M C . 16635 1 170 . 1 1 13 13 MET CA C 13 56.048 0.023 . 1 3 . . . 14 M CA . 16635 1 171 . 1 1 13 13 MET CB C 13 34.625 0.023 . 1 4 . . . 14 M CB . 16635 1 172 . 1 1 13 13 MET CE C 13 15.781 0.000 . 1 1 . . . 14 M CE . 16635 1 173 . 1 1 13 13 MET CG C 13 32.183 0.018 . 1 6 . . . 14 M CG . 16635 1 174 . 1 1 13 13 MET N N 15 120.384 0.028 . 1 4 . . . 14 M N . 16635 1 175 . 1 1 14 14 ALA H H 1 8.642 0.001 . 1 4 . . . 15 A H . 16635 1 176 . 1 1 14 14 ALA HA H 1 4.263 0.006 . 1 4 . . . 15 A HA . 16635 1 177 . 1 1 14 14 ALA HB1 H 1 1.507 0.003 . 1 4 . . . 15 A MB . 16635 1 178 . 1 1 14 14 ALA HB2 H 1 1.507 0.003 . 1 4 . . . 15 A MB . 16635 1 179 . 1 1 14 14 ALA HB3 H 1 1.507 0.003 . 1 4 . . . 15 A MB . 16635 1 180 . 1 1 14 14 ALA C C 13 179.511 0.000 . 1 1 . . . 15 A C . 16635 1 181 . 1 1 14 14 ALA CA C 13 51.871 0.082 . 1 3 . . . 15 A CA . 16635 1 182 . 1 1 14 14 ALA CB C 13 18.764 0.047 . 1 3 . . . 15 A CB . 16635 1 183 . 1 1 14 14 ALA N N 15 124.835 0.011 . 1 4 . . . 15 A N . 16635 1 184 . 1 1 15 15 LEU H H 1 8.485 0.002 . 1 4 . . . 16 L H . 16635 1 185 . 1 1 15 15 LEU HA H 1 3.645 0.001 . 1 12 . . . 16 L HA . 16635 1 186 . 1 1 15 15 LEU HB2 H 1 1.405 0.001 . 2 10 . . . 16 L HB2 . 16635 1 187 . 1 1 15 15 LEU HB3 H 1 0.331 0.004 . 2 12 . . . 16 L HB3 . 16635 1 188 . 1 1 15 15 LEU HD11 H 1 0.547 0.006 . 2 12 . . . 16 L MD1 . 16635 1 189 . 1 1 15 15 LEU HD12 H 1 0.547 0.006 . 2 12 . . . 16 L MD1 . 16635 1 190 . 1 1 15 15 LEU HD13 H 1 0.547 0.006 . 2 12 . . . 16 L MD1 . 16635 1 191 . 1 1 15 15 LEU HD21 H 1 0.505 0.004 . 2 12 . . . 16 L MD2 . 16635 1 192 . 1 1 15 15 LEU HD22 H 1 0.505 0.004 . 2 12 . . . 16 L MD2 . 16635 1 193 . 1 1 15 15 LEU HD23 H 1 0.505 0.004 . 2 12 . . . 16 L MD2 . 16635 1 194 . 1 1 15 15 LEU HG H 1 1.644 0.003 . 1 10 . . . 16 L HG . 16635 1 195 . 1 1 15 15 LEU C C 13 179.329 0.000 . 1 1 . . . 16 L C . 16635 1 196 . 1 1 15 15 LEU CA C 13 58.946 0.022 . 1 7 . . . 16 L CA . 16635 1 197 . 1 1 15 15 LEU CB C 13 39.864 0.028 . 1 12 . . . 16 L CB . 16635 1 198 . 1 1 15 15 LEU CD1 C 13 25.117 0.030 . 2 6 . . . 16 L CD1 . 16635 1 199 . 1 1 15 15 LEU CD2 C 13 22.746 0.038 . 2 6 . . . 16 L CD2 . 16635 1 200 . 1 1 15 15 LEU CG C 13 27.349 0.023 . 1 5 . . . 16 L CG . 16635 1 201 . 1 1 15 15 LEU N N 15 123.065 0.038 . 1 4 . . . 16 L N . 16635 1 202 . 1 1 16 16 VAL H H 1 8.885 0.002 . 1 4 . . . 17 V H . 16635 1 203 . 1 1 16 16 VAL HA H 1 3.910 0.002 . 1 6 . . . 17 V HA . 16635 1 204 . 1 1 16 16 VAL HB H 1 2.263 0.001 . 1 6 . . . 17 V HB . 16635 1 205 . 1 1 16 16 VAL HG11 H 1 1.005 0.004 . . 6 . . . 17 V HG# . 16635 1 206 . 1 1 16 16 VAL HG12 H 1 1.005 0.004 . . 6 . . . 17 V HG# . 16635 1 207 . 1 1 16 16 VAL HG13 H 1 1.005 0.004 . . 6 . . . 17 V HG# . 16635 1 208 . 1 1 16 16 VAL HG21 H 1 1.005 0.004 . . 6 . . . 17 V HG# . 16635 1 209 . 1 1 16 16 VAL HG22 H 1 1.005 0.004 . . 6 . . . 17 V HG# . 16635 1 210 . 1 1 16 16 VAL HG23 H 1 1.005 0.004 . . 6 . . . 17 V HG# . 16635 1 211 . 1 1 16 16 VAL C C 13 176.597 0.000 . 1 1 . . . 17 V C . 16635 1 212 . 1 1 16 16 VAL CA C 13 65.700 0.006 . 1 4 . . . 17 V CA . 16635 1 213 . 1 1 16 16 VAL CB C 13 31.709 0.054 . 1 4 . . . 17 V CB . 16635 1 214 . 1 1 16 16 VAL CG1 C 13 21.579 0.030 . . 3 . . . 17 V CG# . 16635 1 215 . 1 1 16 16 VAL CG2 C 13 21.579 0.030 . . 3 . . . 17 V CG# . 16635 1 216 . 1 1 16 16 VAL N N 15 113.897 0.015 . 1 4 . . . 17 V N . 16635 1 217 . 1 1 17 17 GLU H H 1 7.083 0.002 . 1 4 . . . 18 E H . 16635 1 218 . 1 1 17 17 GLU HA H 1 4.468 0.003 . 1 10 . . . 18 E HA . 16635 1 219 . 1 1 17 17 GLU HB2 H 1 2.191 0.010 . 2 3 . . . 18 E HB2 . 16635 1 220 . 1 1 17 17 GLU HB3 H 1 2.081 0.000 . 2 3 . . . 18 E HB3 . 16635 1 221 . 1 1 17 17 GLU HG2 H 1 2.529 0.002 . 2 8 . . . 18 E HG2 . 16635 1 222 . 1 1 17 17 GLU HG3 H 1 2.320 0.003 . 2 4 . . . 18 E HG3 . 16635 1 223 . 1 1 17 17 GLU C C 13 179.610 0.000 . 1 1 . . . 18 E C . 16635 1 224 . 1 1 17 17 GLU CA C 13 57.706 0.009 . 1 6 . . . 18 E CA . 16635 1 225 . 1 1 17 17 GLU CB C 13 28.597 0.026 . 1 5 . . . 18 E CB . 16635 1 226 . 1 1 17 17 GLU CG C 13 35.921 0.007 . 1 5 . . . 18 E CG . 16635 1 227 . 1 1 17 17 GLU N N 15 119.792 0.015 . 1 4 . . . 18 E N . 16635 1 228 . 1 1 18 18 ILE H H 1 7.529 0.002 . 1 4 . . . 19 I H . 16635 1 229 . 1 1 18 18 ILE HA H 1 3.413 0.000 . 1 8 . . . 19 I HA . 16635 1 230 . 1 1 18 18 ILE HB H 1 1.783 0.006 . 1 10 . . . 19 I HB . 16635 1 231 . 1 1 18 18 ILE HD11 H 1 0.775 0.004 . . 10 . . . 19 I HD1 . 16635 1 232 . 1 1 18 18 ILE HD12 H 1 0.775 0.004 . . 10 . . . 19 I HD1 . 16635 1 233 . 1 1 18 18 ILE HD13 H 1 0.775 0.004 . . 10 . . . 19 I HD1 . 16635 1 234 . 1 1 18 18 ILE HG12 H 1 1.638 0.004 . 2 7 . . . 19 I HG12 . 16635 1 235 . 1 1 18 18 ILE HG13 H 1 0.773 0.002 . 2 6 . . . 19 I HG13 . 16635 1 236 . 1 1 18 18 ILE HG21 H 1 0.734 0.003 . . 11 . . . 19 I HG2 . 16635 1 237 . 1 1 18 18 ILE HG22 H 1 0.734 0.003 . . 11 . . . 19 I HG2 . 16635 1 238 . 1 1 18 18 ILE HG23 H 1 0.734 0.003 . . 11 . . . 19 I HG2 . 16635 1 239 . 1 1 18 18 ILE C C 13 178.057 0.000 . 1 1 . . . 19 I C . 16635 1 240 . 1 1 18 18 ILE CA C 13 65.960 0.083 . 1 4 . . . 19 I CA . 16635 1 241 . 1 1 18 18 ILE CB C 13 37.779 0.023 . 1 6 . . . 19 I CB . 16635 1 242 . 1 1 18 18 ILE CD1 C 13 13.800 0.006 . 1 5 . . . 19 I CD1 . 16635 1 243 . 1 1 18 18 ILE CG1 C 13 28.821 0.008 . 1 8 . . . 19 I CG1 . 16635 1 244 . 1 1 18 18 ILE CG2 C 13 18.423 0.009 . 1 5 . . . 19 I CG2 . 16635 1 245 . 1 1 18 18 ILE N N 15 120.036 0.017 . 1 4 . . . 19 I N . 16635 1 246 . 1 1 19 19 ALA H H 1 8.602 0.001 . 1 4 . . . 20 A H . 16635 1 247 . 1 1 19 19 ALA HA H 1 3.765 0.003 . 1 4 . . . 20 A HA . 16635 1 248 . 1 1 19 19 ALA HB1 H 1 1.529 0.003 . 1 4 . . . 20 A MB . 16635 1 249 . 1 1 19 19 ALA HB2 H 1 1.529 0.003 . 1 4 . . . 20 A MB . 16635 1 250 . 1 1 19 19 ALA HB3 H 1 1.529 0.003 . 1 4 . . . 20 A MB . 16635 1 251 . 1 1 19 19 ALA C C 13 177.882 0.000 . 1 1 . . . 20 A C . 16635 1 252 . 1 1 19 19 ALA CA C 13 55.352 0.032 . 1 3 . . . 20 A CA . 16635 1 253 . 1 1 19 19 ALA CB C 13 17.975 0.025 . 1 3 . . . 20 A CB . 16635 1 254 . 1 1 19 19 ALA N N 15 119.118 0.020 . 1 4 . . . 20 A N . 16635 1 255 . 1 1 20 20 HIS H H 1 8.498 0.002 . 1 4 . . . 21 H H . 16635 1 256 . 1 1 20 20 HIS HA H 1 4.129 0.001 . 1 4 . . . 21 H HA . 16635 1 257 . 1 1 20 20 HIS HB2 H 1 3.537 0.002 . 2 4 . . . 21 H HB2 . 16635 1 258 . 1 1 20 20 HIS HB3 H 1 3.455 0.002 . 2 4 . . . 21 H HB3 . 16635 1 259 . 1 1 20 20 HIS HD2 H 1 6.220 0.005 . 1 5 . . . 21 H HD2 . 16635 1 260 . 1 1 20 20 HIS HE1 H 1 7.896 0.007 . 1 3 . . . 21 H HE1 . 16635 1 261 . 1 1 20 20 HIS C C 13 176.740 0.000 . 1 1 . . . 21 H C . 16635 1 262 . 1 1 20 20 HIS CA C 13 63.148 0.009 . 1 3 . . . 21 H CA . 16635 1 263 . 1 1 20 20 HIS CB C 13 28.749 0.061 . 1 5 . . . 21 H CB . 16635 1 264 . 1 1 20 20 HIS CD2 C 13 123.279 0.015 . 1 3 . . . 21 H CD2 . 16635 1 265 . 1 1 20 20 HIS CE1 C 13 138.187 0.024 . 1 2 . . . 21 H CE1 . 16635 1 266 . 1 1 20 20 HIS N N 15 115.835 0.028 . 1 4 . . . 21 H N . 16635 1 267 . 1 1 21 21 GLU H H 1 7.819 0.002 . 1 4 . . . 22 E H . 16635 1 268 . 1 1 21 21 GLU HA H 1 4.211 0.003 . 1 5 . . . 22 E HA . 16635 1 269 . 1 1 21 21 GLU HB2 H 1 2.166 0.003 . 2 3 . . . 22 E QB . 16635 1 270 . 1 1 21 21 GLU HB3 H 1 2.166 0.003 . 2 3 . . . 22 E QB . 16635 1 271 . 1 1 21 21 GLU HG2 H 1 2.606 0.001 . 2 7 . . . 22 E HG2 . 16635 1 272 . 1 1 21 21 GLU HG3 H 1 2.373 0.006 . 2 3 . . . 22 E HG3 . 16635 1 273 . 1 1 21 21 GLU C C 13 180.209 0.000 . 1 1 . . . 22 E C . 16635 1 274 . 1 1 21 21 GLU CA C 13 59.188 0.023 . 1 4 . . . 22 E CA . 16635 1 275 . 1 1 21 21 GLU CB C 13 29.511 0.035 . 1 3 . . . 22 E CB . 16635 1 276 . 1 1 21 21 GLU CG C 13 36.020 0.010 . 1 4 . . . 22 E CG . 16635 1 277 . 1 1 21 21 GLU N N 15 116.408 0.009 . 1 4 . . . 22 E N . 16635 1 278 . 1 1 22 22 LEU H H 1 8.526 0.001 . 1 4 . . . 23 L H . 16635 1 279 . 1 1 22 22 LEU HA H 1 4.016 0.008 . 1 11 . . . 23 L HA . 16635 1 280 . 1 1 22 22 LEU HB2 H 1 1.848 0.004 . 2 11 . . . 23 L HB2 . 16635 1 281 . 1 1 22 22 LEU HB3 H 1 1.315 0.002 . 2 5 . . . 23 L HB3 . 16635 1 282 . 1 1 22 22 LEU HD11 H 1 0.799 0.002 . 2 11 . . . 23 L MD1 . 16635 1 283 . 1 1 22 22 LEU HD12 H 1 0.799 0.002 . 2 11 . . . 23 L MD1 . 16635 1 284 . 1 1 22 22 LEU HD13 H 1 0.799 0.002 . 2 11 . . . 23 L MD1 . 16635 1 285 . 1 1 22 22 LEU HD21 H 1 0.693 0.005 . 2 11 . . . 23 L MD2 . 16635 1 286 . 1 1 22 22 LEU HD22 H 1 0.693 0.005 . 2 11 . . . 23 L MD2 . 16635 1 287 . 1 1 22 22 LEU HD23 H 1 0.693 0.005 . 2 11 . . . 23 L MD2 . 16635 1 288 . 1 1 22 22 LEU HG H 1 1.690 0.010 . 1 11 . . . 23 L HG . 16635 1 289 . 1 1 22 22 LEU C C 13 179.842 0.000 . 1 1 . . . 23 L C . 16635 1 290 . 1 1 22 22 LEU CA C 13 58.181 0.047 . 1 7 . . . 23 L CA . 16635 1 291 . 1 1 22 22 LEU CB C 13 41.741 0.149 . 1 7 . . . 23 L CB . 16635 1 292 . 1 1 22 22 LEU CD1 C 13 23.056 0.038 . 2 6 . . . 23 L CD1 . 16635 1 293 . 1 1 22 22 LEU CD2 C 13 26.331 0.050 . 2 6 . . . 23 L CD2 . 16635 1 294 . 1 1 22 22 LEU CG C 13 26.665 0.073 . 1 6 . . . 23 L CG . 16635 1 295 . 1 1 22 22 LEU N N 15 121.681 0.033 . 1 4 . . . 23 L N . 16635 1 296 . 1 1 23 23 PHE H H 1 8.718 0.001 . 1 4 . . . 24 F H . 16635 1 297 . 1 1 23 23 PHE HA H 1 4.768 0.000 . 1 2 . . . 24 F HA . 16635 1 298 . 1 1 23 23 PHE HB2 H 1 3.234 0.009 . 2 4 . . . 24 F HB2 . 16635 1 299 . 1 1 23 23 PHE HB3 H 1 3.113 0.004 . 2 2 . . . 24 F HB3 . 16635 1 300 . 1 1 23 23 PHE HD1 H 1 7.468 0.005 . 3 4 . . . 24 F QD . 16635 1 301 . 1 1 23 23 PHE HD2 H 1 7.468 0.005 . 3 4 . . . 24 F QD . 16635 1 302 . 1 1 23 23 PHE HE1 H 1 7.068 0.003 . 3 3 . . . 24 F QE . 16635 1 303 . 1 1 23 23 PHE HE2 H 1 7.068 0.003 . 3 3 . . . 24 F QE . 16635 1 304 . 1 1 23 23 PHE HZ H 1 7.266 0.002 . 1 2 . . . 24 F HZ . 16635 1 305 . 1 1 23 23 PHE C C 13 179.263 0.000 . 1 1 . . . 24 F C . 16635 1 306 . 1 1 23 23 PHE CA C 13 61.747 0.002 . 1 3 . . . 24 F CA . 16635 1 307 . 1 1 23 23 PHE CB C 13 38.397 0.051 . 1 3 . . . 24 F CB . 16635 1 308 . 1 1 23 23 PHE CD1 C 13 129.246 0.046 . . 2 . . . 24 F CD# . 16635 1 309 . 1 1 23 23 PHE CD2 C 13 129.246 0.046 . . 2 . . . 24 F CD# . 16635 1 310 . 1 1 23 23 PHE CE1 C 13 130.530 0.090 . . 2 . . . 24 F CE# . 16635 1 311 . 1 1 23 23 PHE CE2 C 13 130.530 0.090 . . 2 . . . 24 F CE# . 16635 1 312 . 1 1 23 23 PHE CZ C 13 129.720 0.099 . 1 2 . . . 24 F CZ . 16635 1 313 . 1 1 23 23 PHE N N 15 119.068 0.023 . 1 4 . . . 24 F N . 16635 1 314 . 1 1 24 24 GLU H H 1 8.143 0.002 . 1 4 . . . 25 E H . 16635 1 315 . 1 1 24 24 GLU HA H 1 4.416 0.002 . 1 5 . . . 25 E HA . 16635 1 316 . 1 1 24 24 GLU HB2 H 1 2.082 0.005 . 2 4 . . . 25 E QB . 16635 1 317 . 1 1 24 24 GLU HB3 H 1 2.082 0.005 . 2 4 . . . 25 E QB . 16635 1 318 . 1 1 24 24 GLU HG2 H 1 2.292 0.002 . 2 3 . . . 25 E QG . 16635 1 319 . 1 1 24 24 GLU HG3 H 1 2.292 0.002 . 2 3 . . . 25 E QG . 16635 1 320 . 1 1 24 24 GLU C C 13 178.052 0.000 . 1 1 . . . 25 E C . 16635 1 321 . 1 1 24 24 GLU CA C 13 59.351 0.026 . 1 4 . . . 25 E CA . 16635 1 322 . 1 1 24 24 GLU CB C 13 29.545 0.007 . 1 3 . . . 25 E CB . 16635 1 323 . 1 1 24 24 GLU CG C 13 36.459 0.000 . 1 1 . . . 25 E CG . 16635 1 324 . 1 1 24 24 GLU N N 15 118.350 0.012 . 1 4 . . . 25 E N . 16635 1 325 . 1 1 25 25 GLU H H 1 7.686 0.000 . 1 4 . . . 26 E H . 16635 1 326 . 1 1 25 25 GLU HA H 1 4.211 0.004 . 1 8 . . . 26 E HA . 16635 1 327 . 1 1 25 25 GLU HB2 H 1 2.067 0.003 . 2 3 . . . 26 E HB2 . 16635 1 328 . 1 1 25 25 GLU HB3 H 1 1.941 0.003 . 2 5 . . . 26 E HB3 . 16635 1 329 . 1 1 25 25 GLU HG2 H 1 2.151 0.001 . 2 2 . . . 26 E QG . 16635 1 330 . 1 1 25 25 GLU HG3 H 1 2.151 0.001 . 2 2 . . . 26 E QG . 16635 1 331 . 1 1 25 25 GLU C C 13 178.055 0.000 . 1 1 . . . 26 E C . 16635 1 332 . 1 1 25 25 GLU CA C 13 58.382 0.032 . 1 5 . . . 26 E CA . 16635 1 333 . 1 1 25 25 GLU CB C 13 30.122 0.016 . 1 5 . . . 26 E CB . 16635 1 334 . 1 1 25 25 GLU CG C 13 36.023 0.000 . 1 1 . . . 26 E CG . 16635 1 335 . 1 1 25 25 GLU N N 15 117.485 0.013 . 1 4 . . . 26 E N . 16635 1 336 . 1 1 26 26 HIS H H 1 8.550 0.001 . 1 4 . . . 27 H H . 16635 1 337 . 1 1 26 26 HIS HA H 1 4.627 0.001 . 1 4 . . . 27 H HA . 16635 1 338 . 1 1 26 26 HIS HB2 H 1 3.531 0.003 . 2 4 . . . 27 H HB2 . 16635 1 339 . 1 1 26 26 HIS HB3 H 1 3.253 0.010 . 2 4 . . . 27 H HB3 . 16635 1 340 . 1 1 26 26 HIS HD2 H 1 7.090 0.000 . 1 3 . . . 27 H HD2 . 16635 1 341 . 1 1 26 26 HIS HE1 H 1 8.265 0.001 . 1 2 . . . 27 H HE1 . 16635 1 342 . 1 1 26 26 HIS C C 13 176.461 0.000 . 1 1 . . . 27 H C . 16635 1 343 . 1 1 26 26 HIS CA C 13 57.500 0.010 . 1 3 . . . 27 H CA . 16635 1 344 . 1 1 26 26 HIS CB C 13 30.678 0.050 . 1 5 . . . 27 H CB . 16635 1 345 . 1 1 26 26 HIS CD2 C 13 82.597 53.394 . 1 3 . . . 27 H CD2 . 16635 1 346 . 1 1 26 26 HIS CE1 C 13 137.643 0.000 . 1 2 . . . 27 H CE1 . 16635 1 347 . 1 1 26 26 HIS N N 15 116.341 0.034 . 1 4 . . . 27 H N . 16635 1 348 . 1 1 27 27 LYS H H 1 8.893 0.001 . 1 4 . . . 28 K H . 16635 1 349 . 1 1 27 27 LYS HA H 1 3.753 0.001 . 1 14 . . . 28 K HA . 16635 1 350 . 1 1 27 27 LYS HB2 H 1 1.725 0.004 . 2 4 . . . 28 K HB2 . 16635 1 351 . 1 1 27 27 LYS HB3 H 1 1.559 0.002 . 2 5 . . . 28 K HB3 . 16635 1 352 . 1 1 27 27 LYS HD2 H 1 1.628 0.003 . 2 4 . . . 28 K HD2 . 16635 1 353 . 1 1 27 27 LYS HD3 H 1 1.482 0.004 . 2 7 . . . 28 K HD3 . 16635 1 354 . 1 1 27 27 LYS HE2 H 1 2.991 0.002 . 2 6 . . . 28 K QE . 16635 1 355 . 1 1 27 27 LYS HE3 H 1 2.991 0.002 . 2 6 . . . 28 K QE . 16635 1 356 . 1 1 27 27 LYS HG2 H 1 1.201 0.003 . 2 14 . . . 28 K QG . 16635 1 357 . 1 1 27 27 LYS HG3 H 1 1.201 0.003 . 2 14 . . . 28 K QG . 16635 1 358 . 1 1 27 27 LYS C C 13 173.834 0.000 . 1 1 . . . 28 K C . 16635 1 359 . 1 1 27 27 LYS CA C 13 57.445 0.025 . 1 8 . . . 28 K CA . 16635 1 360 . 1 1 27 27 LYS CB C 13 29.937 0.064 . 1 6 . . . 28 K CB . 16635 1 361 . 1 1 27 27 LYS CD C 13 29.408 0.004 . 1 6 . . . 28 K CD . 16635 1 362 . 1 1 27 27 LYS CE C 13 42.517 0.003 . 1 2 . . . 28 K CE . 16635 1 363 . 1 1 27 27 LYS CG C 13 25.340 0.023 . 1 7 . . . 28 K CG . 16635 1 364 . 1 1 27 27 LYS N N 15 113.278 0.012 . 1 4 . . . 28 K N . 16635 1 365 . 1 1 28 28 LYS H H 1 7.460 0.001 . 1 4 . . . 29 K H . 16635 1 366 . 1 1 28 28 LYS HA H 1 4.623 0.002 . 1 9 . . . 29 K HA . 16635 1 367 . 1 1 28 28 LYS HB2 H 1 1.804 0.003 . 2 6 . . . 29 K HB2 . 16635 1 368 . 1 1 28 28 LYS HB3 H 1 1.659 0.003 . 2 8 . . . 29 K HB3 . 16635 1 369 . 1 1 28 28 LYS HD2 H 1 1.651 0.001 . 2 2 . . . 29 K QD . 16635 1 370 . 1 1 28 28 LYS HD3 H 1 1.651 0.001 . 2 2 . . . 29 K QD . 16635 1 371 . 1 1 28 28 LYS HE2 H 1 2.980 0.005 . 2 5 . . . 29 K QE . 16635 1 372 . 1 1 28 28 LYS HE3 H 1 2.980 0.005 . 2 5 . . . 29 K QE . 16635 1 373 . 1 1 28 28 LYS HG2 H 1 1.381 0.003 . 2 10 . . . 29 K QG . 16635 1 374 . 1 1 28 28 LYS HG3 H 1 1.381 0.003 . 2 10 . . . 29 K QG . 16635 1 375 . 1 1 28 28 LYS CA C 13 53.221 0.008 . 1 5 . . . 29 K CA . 16635 1 376 . 1 1 28 28 LYS CB C 13 34.338 0.054 . 1 9 . . . 29 K CB . 16635 1 377 . 1 1 28 28 LYS CD C 13 29.387 0.010 . 1 2 . . . 29 K CD . 16635 1 378 . 1 1 28 28 LYS CE C 13 42.255 0.000 . 1 1 . . . 29 K CE . 16635 1 379 . 1 1 28 28 LYS CG C 13 23.701 0.027 . 1 5 . . . 29 K CG . 16635 1 380 . 1 1 28 28 LYS N N 15 117.529 0.021 . 1 4 . . . 29 K N . 16635 1 381 . 1 1 29 29 PRO HA H 1 5.502 0.001 . 1 14 . . . 30 P HA . 16635 1 382 . 1 1 29 29 PRO HB2 H 1 2.285 0.002 . 2 6 . . . 30 P HB2 . 16635 1 383 . 1 1 29 29 PRO HB3 H 1 1.902 0.003 . 2 8 . . . 30 P HB3 . 16635 1 384 . 1 1 29 29 PRO HD2 H 1 3.844 0.003 . 2 6 . . . 30 P HD2 . 16635 1 385 . 1 1 29 29 PRO HD3 H 1 3.762 0.002 . 2 6 . . . 30 P HD3 . 16635 1 386 . 1 1 29 29 PRO HG2 H 1 2.210 0.000 . 2 3 . . . 30 P HG2 . 16635 1 387 . 1 1 29 29 PRO HG3 H 1 2.168 0.003 . 2 3 . . . 30 P HG3 . 16635 1 388 . 1 1 29 29 PRO C C 13 177.377 0.000 . 1 1 . . . 30 P C . 16635 1 389 . 1 1 29 29 PRO CA C 13 63.250 0.020 . 1 8 . . . 30 P CA . 16635 1 390 . 1 1 29 29 PRO CB C 13 33.228 0.040 . 1 7 . . . 30 P CB . 16635 1 391 . 1 1 29 29 PRO CD C 13 51.012 0.000 . 1 6 . . . 30 P CD . 16635 1 392 . 1 1 29 29 PRO CG C 13 28.128 0.015 . 1 4 . . . 30 P CG . 16635 1 393 . 1 1 30 30 VAL H H 1 8.976 0.002 . 1 6 . . . 31 V H . 16635 1 394 . 1 1 30 30 VAL HA H 1 5.093 0.002 . 1 8 . . . 31 V HA . 16635 1 395 . 1 1 30 30 VAL HB H 1 2.192 0.003 . 1 6 . . . 31 V HB . 16635 1 396 . 1 1 30 30 VAL HG11 H 1 1.084 0.001 . 2 5 . . . 31 V MG1 . 16635 1 397 . 1 1 30 30 VAL HG12 H 1 1.084 0.001 . 2 5 . . . 31 V MG1 . 16635 1 398 . 1 1 30 30 VAL HG13 H 1 1.084 0.001 . 2 5 . . . 31 V MG1 . 16635 1 399 . 1 1 30 30 VAL HG21 H 1 1.039 0.004 . 2 7 . . . 31 V MG2 . 16635 1 400 . 1 1 30 30 VAL HG22 H 1 1.039 0.004 . 2 7 . . . 31 V MG2 . 16635 1 401 . 1 1 30 30 VAL HG23 H 1 1.039 0.004 . 2 7 . . . 31 V MG2 . 16635 1 402 . 1 1 30 30 VAL CA C 13 58.879 0.007 . 1 5 . . . 31 V CA . 16635 1 403 . 1 1 30 30 VAL CB C 13 36.330 0.034 . 1 4 . . . 31 V CB . 16635 1 404 . 1 1 30 30 VAL CG1 C 13 22.153 0.021 . 2 2 . . . 31 V CG1 . 16635 1 405 . 1 1 30 30 VAL CG2 C 13 20.328 0.010 . 2 4 . . . 31 V CG2 . 16635 1 406 . 1 1 30 30 VAL N N 15 117.420 0.014 . 1 6 . . . 31 V N . 16635 1 407 . 1 1 31 31 PRO HA H 1 5.103 0.002 . 1 13 . . . 32 P HA . 16635 1 408 . 1 1 31 31 PRO HB2 H 1 2.751 0.001 . 2 13 . . . 32 P HB2 . 16635 1 409 . 1 1 31 31 PRO HB3 H 1 2.111 0.003 . 2 4 . . . 32 P HB3 . 16635 1 410 . 1 1 31 31 PRO HD2 H 1 4.013 0.001 . 2 9 . . . 32 P HD2 . 16635 1 411 . 1 1 31 31 PRO HD3 H 1 3.844 0.001 . 2 7 . . . 32 P HD3 . 16635 1 412 . 1 1 31 31 PRO HG2 H 1 2.211 0.005 . 2 5 . . . 32 P HG2 . 16635 1 413 . 1 1 31 31 PRO HG3 H 1 2.121 0.003 . 2 5 . . . 32 P HG3 . 16635 1 414 . 1 1 31 31 PRO C C 13 177.538 0.000 . 1 1 . . . 32 P C . 16635 1 415 . 1 1 31 31 PRO CA C 13 62.753 0.022 . 1 7 . . . 32 P CA . 16635 1 416 . 1 1 31 31 PRO CB C 13 33.025 0.020 . 1 10 . . . 32 P CB . 16635 1 417 . 1 1 31 31 PRO CD C 13 51.744 0.026 . 1 9 . . . 32 P CD . 16635 1 418 . 1 1 31 31 PRO CG C 13 28.086 0.003 . 1 4 . . . 32 P CG . 16635 1 419 . 1 1 32 32 PHE H H 1 9.700 0.002 . 1 6 . . . 33 F H . 16635 1 420 . 1 1 32 32 PHE HA H 1 4.144 0.003 . 1 4 . . . 33 F HA . 16635 1 421 . 1 1 32 32 PHE HB2 H 1 3.598 0.003 . 2 6 . . . 33 F HB2 . 16635 1 422 . 1 1 32 32 PHE HB3 H 1 3.204 0.003 . 2 6 . . . 33 F HB3 . 16635 1 423 . 1 1 32 32 PHE HD1 H 1 6.854 0.007 . 3 4 . . . 33 F QD . 16635 1 424 . 1 1 32 32 PHE HD2 H 1 6.854 0.007 . 3 4 . . . 33 F QD . 16635 1 425 . 1 1 32 32 PHE HE1 H 1 6.751 0.002 . 3 5 . . . 33 F QE . 16635 1 426 . 1 1 32 32 PHE HE2 H 1 6.751 0.002 . 3 5 . . . 33 F QE . 16635 1 427 . 1 1 32 32 PHE HZ H 1 7.124 0.010 . 1 4 . . . 33 F HZ . 16635 1 428 . 1 1 32 32 PHE C C 13 176.679 0.000 . 1 1 . . . 33 F C . 16635 1 429 . 1 1 32 32 PHE CA C 13 62.830 0.030 . 1 3 . . . 33 F CA . 16635 1 430 . 1 1 32 32 PHE CB C 13 40.110 0.018 . 1 7 . . . 33 F CB . 16635 1 431 . 1 1 32 32 PHE CD1 C 13 131.358 0.009 . . 3 . . . 33 F CD# . 16635 1 432 . 1 1 32 32 PHE CD2 C 13 131.358 0.009 . . 3 . . . 33 F CD# . 16635 1 433 . 1 1 32 32 PHE CE1 C 13 131.574 0.025 . . 3 . . . 33 F CE# . 16635 1 434 . 1 1 32 32 PHE CE2 C 13 131.574 0.025 . . 3 . . . 33 F CE# . 16635 1 435 . 1 1 32 32 PHE CZ C 13 129.157 0.004 . 1 2 . . . 33 F CZ . 16635 1 436 . 1 1 32 32 PHE N N 15 124.807 0.011 . 1 6 . . . 33 F N . 16635 1 437 . 1 1 33 33 GLN H H 1 9.317 0.001 . 1 4 . . . 34 Q H . 16635 1 438 . 1 1 33 33 GLN HA H 1 3.748 0.000 . 1 6 . . . 34 Q HA . 16635 1 439 . 1 1 33 33 GLN HB2 H 1 2.118 0.004 . 2 6 . . . 34 Q QB . 16635 1 440 . 1 1 33 33 GLN HB3 H 1 2.118 0.004 . 2 6 . . . 34 Q QB . 16635 1 441 . 1 1 33 33 GLN HE21 H 1 7.724 0.000 . 2 1 . . . 34 Q HE21 . 16635 1 442 . 1 1 33 33 GLN HE22 H 1 6.928 0.000 . 2 1 . . . 34 Q HE22 . 16635 1 443 . 1 1 33 33 GLN HG2 H 1 2.588 0.003 . 2 5 . . . 34 Q HG2 . 16635 1 444 . 1 1 33 33 GLN HG3 H 1 2.547 0.005 . 2 7 . . . 34 Q HG3 . 16635 1 445 . 1 1 33 33 GLN C C 13 178.230 0.000 . 1 1 . . . 34 Q C . 16635 1 446 . 1 1 33 33 GLN CA C 13 59.121 0.025 . 1 4 . . . 34 Q CA . 16635 1 447 . 1 1 33 33 GLN CB C 13 27.848 0.004 . 1 4 . . . 34 Q CB . 16635 1 448 . 1 1 33 33 GLN CG C 13 33.760 0.097 . 1 7 . . . 34 Q CG . 16635 1 449 . 1 1 33 33 GLN N N 15 114.052 0.013 . 1 4 . . . 34 Q N . 16635 1 450 . 1 1 33 33 GLN NE2 N 15 112.485 0.014 . 1 2 . . . 34 Q NE2 . 16635 1 451 . 1 1 34 34 GLU H H 1 6.979 0.002 . 1 4 . . . 35 E H . 16635 1 452 . 1 1 34 34 GLU HA H 1 4.204 0.001 . 1 3 . . . 35 E HA . 16635 1 453 . 1 1 34 34 GLU HB2 H 1 2.098 0.000 . 2 1 . . . 35 E QB . 16635 1 454 . 1 1 34 34 GLU HB3 H 1 2.098 0.000 . 2 1 . . . 35 E QB . 16635 1 455 . 1 1 34 34 GLU HG2 H 1 2.351 0.000 . 2 1 . . . 35 E HG2 . 16635 1 456 . 1 1 34 34 GLU HG3 H 1 2.315 0.000 . 2 1 . . . 35 E HG3 . 16635 1 457 . 1 1 34 34 GLU C C 13 178.723 0.000 . 1 1 . . . 35 E C . 16635 1 458 . 1 1 34 34 GLU CA C 13 58.736 0.025 . 1 4 . . . 35 E CA . 16635 1 459 . 1 1 34 34 GLU CB C 13 29.347 0.000 . 1 1 . . . 35 E CB . 16635 1 460 . 1 1 34 34 GLU N N 15 117.748 0.022 . 1 4 . . . 35 E N . 16635 1 461 . 1 1 35 35 LEU H H 1 7.911 0.002 . 1 4 . . . 36 L H . 16635 1 462 . 1 1 35 35 LEU HA H 1 3.989 0.004 . 1 10 . . . 36 L HA . 16635 1 463 . 1 1 35 35 LEU HB2 H 1 1.851 0.006 . 2 9 . . . 36 L HB2 . 16635 1 464 . 1 1 35 35 LEU HB3 H 1 1.564 0.006 . 2 6 . . . 36 L HB3 . 16635 1 465 . 1 1 35 35 LEU HD11 H 1 0.718 0.012 . . 9 . . . 36 L HD# . 16635 1 466 . 1 1 35 35 LEU HD12 H 1 0.718 0.012 . . 9 . . . 36 L HD# . 16635 1 467 . 1 1 35 35 LEU HD13 H 1 0.718 0.012 . . 9 . . . 36 L HD# . 16635 1 468 . 1 1 35 35 LEU HD21 H 1 0.718 0.012 . . 9 . . . 36 L HD# . 16635 1 469 . 1 1 35 35 LEU HD22 H 1 0.718 0.012 . . 9 . . . 36 L HD# . 16635 1 470 . 1 1 35 35 LEU HD23 H 1 0.718 0.012 . . 9 . . . 36 L HD# . 16635 1 471 . 1 1 35 35 LEU HG H 1 1.476 0.004 . 1 8 . . . 36 L HG . 16635 1 472 . 1 1 35 35 LEU C C 13 178.240 0.000 . 1 1 . . . 36 L C . 16635 1 473 . 1 1 35 35 LEU CA C 13 57.857 0.067 . 1 6 . . . 36 L CA . 16635 1 474 . 1 1 35 35 LEU CB C 13 42.051 0.026 . 1 9 . . . 36 L CB . 16635 1 475 . 1 1 35 35 LEU CD1 C 13 23.248 0.024 . . 4 . . . 36 L CD# . 16635 1 476 . 1 1 35 35 LEU CD2 C 13 23.248 0.024 . . 4 . . . 36 L CD# . 16635 1 477 . 1 1 35 35 LEU CG C 13 26.663 0.075 . 1 4 . . . 36 L CG . 16635 1 478 . 1 1 35 35 LEU N N 15 122.675 0.014 . 1 4 . . . 36 L N . 16635 1 479 . 1 1 36 36 LEU H H 1 7.992 0.001 . 1 4 . . . 37 L H . 16635 1 480 . 1 1 36 36 LEU HA H 1 3.635 0.006 . 1 10 . . . 37 L HA . 16635 1 481 . 1 1 36 36 LEU HB2 H 1 1.343 0.002 . 2 4 . . . 37 L HB2 . 16635 1 482 . 1 1 36 36 LEU HB3 H 1 1.234 0.005 . 2 6 . . . 37 L HB3 . 16635 1 483 . 1 1 36 36 LEU HD11 H 1 0.673 0.003 . . 8 . . . 37 L HD# . 16635 1 484 . 1 1 36 36 LEU HD12 H 1 0.673 0.003 . . 8 . . . 37 L HD# . 16635 1 485 . 1 1 36 36 LEU HD13 H 1 0.673 0.003 . . 8 . . . 37 L HD# . 16635 1 486 . 1 1 36 36 LEU HD21 H 1 0.673 0.003 . . 8 . . . 37 L HD# . 16635 1 487 . 1 1 36 36 LEU HD22 H 1 0.673 0.003 . . 8 . . . 37 L HD# . 16635 1 488 . 1 1 36 36 LEU HD23 H 1 0.673 0.003 . . 8 . . . 37 L HD# . 16635 1 489 . 1 1 36 36 LEU HG H 1 1.845 0.002 . 1 4 . . . 37 L HG . 16635 1 490 . 1 1 36 36 LEU C C 13 178.312 0.000 . 1 1 . . . 37 L C . 16635 1 491 . 1 1 36 36 LEU CA C 13 57.661 0.016 . 1 6 . . . 37 L CA . 16635 1 492 . 1 1 36 36 LEU CB C 13 41.881 0.064 . 1 5 . . . 37 L CB . 16635 1 493 . 1 1 36 36 LEU CD1 C 13 24.625 0.022 . . 5 . . . 37 L CD# . 16635 1 494 . 1 1 36 36 LEU CD2 C 13 24.625 0.022 . . 5 . . . 37 L CD# . 16635 1 495 . 1 1 36 36 LEU CG C 13 26.600 0.000 . 1 2 . . . 37 L CG . 16635 1 496 . 1 1 36 36 LEU N N 15 116.639 0.022 . 1 4 . . . 37 L N . 16635 1 497 . 1 1 37 37 ASN H H 1 7.778 0.002 . 1 4 . . . 38 N H . 16635 1 498 . 1 1 37 37 ASN HA H 1 4.298 0.002 . 1 4 . . . 38 N HA . 16635 1 499 . 1 1 37 37 ASN HB2 H 1 2.968 0.002 . 2 4 . . . 38 N HB2 . 16635 1 500 . 1 1 37 37 ASN HB3 H 1 2.861 0.002 . 2 4 . . . 38 N HB3 . 16635 1 501 . 1 1 37 37 ASN HD22 H 1 7.293 0.361 . 2 2 . . . 38 N HD22 . 16635 1 502 . 1 1 37 37 ASN C C 13 178.263 0.000 . 1 1 . . . 38 N C . 16635 1 503 . 1 1 37 37 ASN CA C 13 56.200 0.005 . 1 3 . . . 38 N CA . 16635 1 504 . 1 1 37 37 ASN CB C 13 37.805 0.036 . 1 5 . . . 38 N CB . 16635 1 505 . 1 1 37 37 ASN N N 15 116.921 0.013 . 1 4 . . . 38 N N . 16635 1 506 . 1 1 37 37 ASN ND2 N 15 112.275 0.028 . 1 2 . . . 38 N ND2 . 16635 1 507 . 1 1 38 38 GLU H H 1 8.147 0.003 . 1 4 . . . 39 E H . 16635 1 508 . 1 1 38 38 GLU HA H 1 4.036 0.004 . 1 7 . . . 39 E HA . 16635 1 509 . 1 1 38 38 GLU HB2 H 1 2.063 0.028 . 2 2 . . . 39 E QB . 16635 1 510 . 1 1 38 38 GLU HB3 H 1 2.063 0.028 . 2 2 . . . 39 E QB . 16635 1 511 . 1 1 38 38 GLU HG2 H 1 2.465 0.001 . 2 6 . . . 39 E HG2 . 16635 1 512 . 1 1 38 38 GLU HG3 H 1 2.252 0.002 . 2 3 . . . 39 E HG3 . 16635 1 513 . 1 1 38 38 GLU C C 13 179.346 0.000 . 1 1 . . . 39 E C . 16635 1 514 . 1 1 38 38 GLU CA C 13 59.645 0.061 . 1 5 . . . 39 E CA . 16635 1 515 . 1 1 38 38 GLU CB C 13 29.352 0.036 . 1 2 . . . 39 E CB . 16635 1 516 . 1 1 38 38 GLU CG C 13 36.065 0.022 . 1 4 . . . 39 E CG . 16635 1 517 . 1 1 38 38 GLU N N 15 121.572 0.032 . 1 4 . . . 39 E N . 16635 1 518 . 1 1 39 39 ILE H H 1 8.295 0.002 . 1 4 . . . 40 I H . 16635 1 519 . 1 1 39 39 ILE HA H 1 3.350 0.002 . 1 10 . . . 40 I HA . 16635 1 520 . 1 1 39 39 ILE HB H 1 1.632 0.001 . 1 9 . . . 40 I HB . 16635 1 521 . 1 1 39 39 ILE HD11 H 1 0.375 0.002 . . 11 . . . 40 I HD1 . 16635 1 522 . 1 1 39 39 ILE HD12 H 1 0.375 0.002 . . 11 . . . 40 I HD1 . 16635 1 523 . 1 1 39 39 ILE HD13 H 1 0.375 0.002 . . 11 . . . 40 I HD1 . 16635 1 524 . 1 1 39 39 ILE HG12 H 1 1.733 0.002 . 2 8 . . . 40 I HG12 . 16635 1 525 . 1 1 39 39 ILE HG13 H 1 0.588 0.003 . 2 4 . . . 40 I HG13 . 16635 1 526 . 1 1 39 39 ILE HG21 H 1 0.592 0.000 . . 8 . . . 40 I HG2 . 16635 1 527 . 1 1 39 39 ILE HG22 H 1 0.592 0.000 . . 8 . . . 40 I HG2 . 16635 1 528 . 1 1 39 39 ILE HG23 H 1 0.592 0.000 . . 8 . . . 40 I HG2 . 16635 1 529 . 1 1 39 39 ILE C C 13 176.931 0.000 . 1 1 . . . 40 I C . 16635 1 530 . 1 1 39 39 ILE CA C 13 66.327 0.021 . 1 5 . . . 40 I CA . 16635 1 531 . 1 1 39 39 ILE CB C 13 38.040 0.046 . 1 6 . . . 40 I CB . 16635 1 532 . 1 1 39 39 ILE CD1 C 13 14.517 0.007 . 1 5 . . . 40 I CD1 . 16635 1 533 . 1 1 39 39 ILE CG1 C 13 30.117 0.016 . 1 7 . . . 40 I CG1 . 16635 1 534 . 1 1 39 39 ILE CG2 C 13 17.456 0.016 . 1 4 . . . 40 I CG2 . 16635 1 535 . 1 1 39 39 ILE N N 15 120.657 0.018 . 1 4 . . . 40 I N . 16635 1 536 . 1 1 40 40 ALA H H 1 8.514 0.001 . 1 4 . . . 41 A H . 16635 1 537 . 1 1 40 40 ALA HA H 1 3.709 0.003 . 1 4 . . . 41 A HA . 16635 1 538 . 1 1 40 40 ALA HB1 H 1 1.359 0.001 . 1 4 . . . 41 A MB . 16635 1 539 . 1 1 40 40 ALA HB2 H 1 1.359 0.001 . 1 4 . . . 41 A MB . 16635 1 540 . 1 1 40 40 ALA HB3 H 1 1.359 0.001 . 1 4 . . . 41 A MB . 16635 1 541 . 1 1 40 40 ALA C C 13 179.178 0.000 . 1 1 . . . 41 A C . 16635 1 542 . 1 1 40 40 ALA CA C 13 55.797 0.017 . 1 3 . . . 41 A CA . 16635 1 543 . 1 1 40 40 ALA CB C 13 16.645 0.059 . 1 3 . . . 41 A CB . 16635 1 544 . 1 1 40 40 ALA N N 15 120.951 0.015 . 1 4 . . . 41 A N . 16635 1 545 . 1 1 41 41 SER H H 1 7.785 0.002 . 1 4 . . . 42 S H . 16635 1 546 . 1 1 41 41 SER HA H 1 4.233 0.003 . 1 4 . . . 42 S HA . 16635 1 547 . 1 1 41 41 SER HB2 H 1 3.984 0.003 . 2 4 . . . 42 S QB . 16635 1 548 . 1 1 41 41 SER HB3 H 1 3.984 0.003 . 2 4 . . . 42 S QB . 16635 1 549 . 1 1 41 41 SER C C 13 177.970 0.000 . 1 1 . . . 42 S C . 16635 1 550 . 1 1 41 41 SER CA C 13 61.549 0.015 . 1 3 . . . 42 S CA . 16635 1 551 . 1 1 41 41 SER CB C 13 62.952 0.069 . 1 3 . . . 42 S CB . 16635 1 552 . 1 1 41 41 SER N N 15 111.172 0.012 . 1 4 . . . 42 S N . 16635 1 553 . 1 1 42 42 LEU H H 1 7.928 0.001 . 1 4 . . . 43 L H . 16635 1 554 . 1 1 42 42 LEU HA H 1 4.087 0.004 . 1 10 . . . 43 L HA . 16635 1 555 . 1 1 42 42 LEU HB2 H 1 1.918 0.005 . 2 9 . . . 43 L HB2 . 16635 1 556 . 1 1 42 42 LEU HB3 H 1 1.529 0.004 . 2 8 . . . 43 L HB3 . 16635 1 557 . 1 1 42 42 LEU HD11 H 1 0.837 0.009 . . 9 . . . 43 L HD# . 16635 1 558 . 1 1 42 42 LEU HD12 H 1 0.837 0.009 . . 9 . . . 43 L HD# . 16635 1 559 . 1 1 42 42 LEU HD13 H 1 0.837 0.009 . . 9 . . . 43 L HD# . 16635 1 560 . 1 1 42 42 LEU HD21 H 1 0.837 0.009 . . 9 . . . 43 L HD# . 16635 1 561 . 1 1 42 42 LEU HD22 H 1 0.837 0.009 . . 9 . . . 43 L HD# . 16635 1 562 . 1 1 42 42 LEU HD23 H 1 0.837 0.009 . . 9 . . . 43 L HD# . 16635 1 563 . 1 1 42 42 LEU HG H 1 1.804 0.008 . 1 10 . . . 43 L HG . 16635 1 564 . 1 1 42 42 LEU C C 13 178.764 0.000 . 1 1 . . . 43 L C . 16635 1 565 . 1 1 42 42 LEU CA C 13 57.699 0.012 . 1 6 . . . 43 L CA . 16635 1 566 . 1 1 42 42 LEU CB C 13 42.180 0.028 . 1 10 . . . 43 L CB . 16635 1 567 . 1 1 42 42 LEU CD1 C 13 25.977 0.015 . . 4 . . . 43 L CD# . 16635 1 568 . 1 1 42 42 LEU CD2 C 13 25.977 0.015 . . 4 . . . 43 L CD# . 16635 1 569 . 1 1 42 42 LEU CG C 13 26.778 0.022 . 1 5 . . . 43 L CG . 16635 1 570 . 1 1 42 42 LEU N N 15 123.266 0.012 . 1 4 . . . 43 L N . 16635 1 571 . 1 1 43 43 LEU H H 1 7.880 0.002 . 1 4 . . . 44 L H . 16635 1 572 . 1 1 43 43 LEU HA H 1 4.073 0.002 . 1 10 . . . 44 L HA . 16635 1 573 . 1 1 43 43 LEU HB2 H 1 1.743 0.003 . 2 10 . . . 44 L HB2 . 16635 1 574 . 1 1 43 43 LEU HB3 H 1 1.490 0.006 . 2 10 . . . 44 L HB3 . 16635 1 575 . 1 1 43 43 LEU HD11 H 1 0.644 0.004 . . 10 . . . 44 L HD# . 16635 1 576 . 1 1 43 43 LEU HD12 H 1 0.644 0.004 . . 10 . . . 44 L HD# . 16635 1 577 . 1 1 43 43 LEU HD13 H 1 0.644 0.004 . . 10 . . . 44 L HD# . 16635 1 578 . 1 1 43 43 LEU HD21 H 1 0.644 0.004 . . 10 . . . 44 L HD# . 16635 1 579 . 1 1 43 43 LEU HD22 H 1 0.644 0.004 . . 10 . . . 44 L HD# . 16635 1 580 . 1 1 43 43 LEU HD23 H 1 0.644 0.004 . . 10 . . . 44 L HD# . 16635 1 581 . 1 1 43 43 LEU HG H 1 1.700 0.006 . 1 10 . . . 44 L HG . 16635 1 582 . 1 1 43 43 LEU C C 13 177.012 0.000 . 1 1 . . . 44 L C . 16635 1 583 . 1 1 43 43 LEU CA C 13 55.948 0.790 . 1 6 . . . 44 L CA . 16635 1 584 . 1 1 43 43 LEU CB C 13 43.085 0.051 . 1 11 . . . 44 L CB . 16635 1 585 . 1 1 43 43 LEU CD1 C 13 22.910 0.022 . . 5 . . . 44 L CD# . 16635 1 586 . 1 1 43 43 LEU CD2 C 13 22.910 0.022 . . 5 . . . 44 L CD# . 16635 1 587 . 1 1 43 43 LEU CG C 13 27.182 0.029 . 1 5 . . . 44 L CG . 16635 1 588 . 1 1 43 43 LEU N N 15 116.405 0.018 . 1 4 . . . 44 L N . 16635 1 589 . 1 1 44 44 GLY H H 1 7.906 0.001 . 1 3 . . . 45 G H . 16635 1 590 . 1 1 44 44 GLY HA2 H 1 3.936 0.003 . 2 4 . . . 45 G HA2 . 16635 1 591 . 1 1 44 44 GLY HA3 H 1 3.849 0.002 . 2 4 . . . 45 G HA3 . 16635 1 592 . 1 1 44 44 GLY C C 13 174.950 0.000 . 1 1 . . . 45 G C . 16635 1 593 . 1 1 44 44 GLY CA C 13 46.280 0.023 . 1 5 . . . 45 G CA . 16635 1 594 . 1 1 44 44 GLY N N 15 108.122 0.002 . 1 3 . . . 45 G N . 16635 1 595 . 1 1 45 45 VAL H H 1 7.763 0.001 . 1 4 . . . 46 V H . 16635 1 596 . 1 1 45 45 VAL HA H 1 4.686 0.001 . 1 3 . . . 46 V HA . 16635 1 597 . 1 1 45 45 VAL HB H 1 2.206 0.001 . 1 5 . . . 46 V HB . 16635 1 598 . 1 1 45 45 VAL HG11 H 1 0.751 0.001 . 2 7 . . . 46 V MG1 . 16635 1 599 . 1 1 45 45 VAL HG12 H 1 0.751 0.001 . 2 7 . . . 46 V MG1 . 16635 1 600 . 1 1 45 45 VAL HG13 H 1 0.751 0.001 . 2 7 . . . 46 V MG1 . 16635 1 601 . 1 1 45 45 VAL HG21 H 1 0.594 0.003 . 2 7 . . . 46 V MG2 . 16635 1 602 . 1 1 45 45 VAL HG22 H 1 0.594 0.003 . 2 7 . . . 46 V MG2 . 16635 1 603 . 1 1 45 45 VAL HG23 H 1 0.594 0.003 . 2 7 . . . 46 V MG2 . 16635 1 604 . 1 1 45 45 VAL C C 13 175.374 0.000 . 1 1 . . . 46 V C . 16635 1 605 . 1 1 45 45 VAL CA C 13 58.451 0.003 . 1 4 . . . 46 V CA . 16635 1 606 . 1 1 45 45 VAL CB C 13 34.943 0.079 . 1 3 . . . 46 V CB . 16635 1 607 . 1 1 45 45 VAL CG1 C 13 21.301 0.011 . 2 3 . . . 46 V CG1 . 16635 1 608 . 1 1 45 45 VAL CG2 C 13 17.832 0.002 . 2 3 . . . 46 V CG2 . 16635 1 609 . 1 1 45 45 VAL N N 15 112.120 0.007 . 1 4 . . . 46 V N . 16635 1 610 . 1 1 46 46 LYS H H 1 8.438 0.001 . 1 4 . . . 47 K H . 16635 1 611 . 1 1 46 46 LYS HA H 1 4.386 0.004 . 1 8 . . . 47 K HA . 16635 1 612 . 1 1 46 46 LYS HB2 H 1 2.080 0.003 . 2 10 . . . 47 K HB2 . 16635 1 613 . 1 1 46 46 LYS HB3 H 1 1.638 0.003 . 2 5 . . . 47 K HB3 . 16635 1 614 . 1 1 46 46 LYS HD2 H 1 1.681 0.002 . 2 3 . . . 47 K QD . 16635 1 615 . 1 1 46 46 LYS HD3 H 1 1.681 0.002 . 2 3 . . . 47 K QD . 16635 1 616 . 1 1 46 46 LYS HE2 H 1 2.981 0.004 . 2 8 . . . 47 K QE . 16635 1 617 . 1 1 46 46 LYS HE3 H 1 2.981 0.004 . 2 8 . . . 47 K QE . 16635 1 618 . 1 1 46 46 LYS HG2 H 1 1.559 0.004 . 2 6 . . . 47 K HG2 . 16635 1 619 . 1 1 46 46 LYS HG3 H 1 1.490 0.006 . 2 6 . . . 47 K HG3 . 16635 1 620 . 1 1 46 46 LYS C C 13 179.263 0.000 . 1 1 . . . 47 K C . 16635 1 621 . 1 1 46 46 LYS CA C 13 55.482 0.028 . 1 3 . . . 47 K CA . 16635 1 622 . 1 1 46 46 LYS CB C 13 32.926 0.023 . 1 10 . . . 47 K CB . 16635 1 623 . 1 1 46 46 LYS CD C 13 28.922 0.013 . 1 3 . . . 47 K CD . 16635 1 624 . 1 1 46 46 LYS CE C 13 42.194 0.014 . 1 2 . . . 47 K CE . 16635 1 625 . 1 1 46 46 LYS CG C 13 25.143 0.008 . 1 7 . . . 47 K CG . 16635 1 626 . 1 1 46 46 LYS N N 15 120.084 0.031 . 1 4 . . . 47 K N . 16635 1 627 . 1 1 47 47 LYS H H 1 9.035 0.002 . 1 4 . . . 48 K H . 16635 1 628 . 1 1 47 47 LYS HA H 1 3.633 0.004 . 1 11 . . . 48 K HA . 16635 1 629 . 1 1 47 47 LYS HB2 H 1 1.752 0.004 . 2 5 . . . 48 K HB2 . 16635 1 630 . 1 1 47 47 LYS HB3 H 1 1.692 0.001 . 2 3 . . . 48 K HB3 . 16635 1 631 . 1 1 47 47 LYS HD2 H 1 1.668 0.002 . 2 3 . . . 48 K QD . 16635 1 632 . 1 1 47 47 LYS HD3 H 1 1.668 0.002 . 2 3 . . . 48 K QD . 16635 1 633 . 1 1 47 47 LYS HE2 H 1 2.981 0.003 . 2 5 . . . 48 K QE . 16635 1 634 . 1 1 47 47 LYS HE3 H 1 2.981 0.003 . 2 5 . . . 48 K QE . 16635 1 635 . 1 1 47 47 LYS HG2 H 1 1.354 0.003 . 2 7 . . . 48 K QG . 16635 1 636 . 1 1 47 47 LYS HG3 H 1 1.354 0.003 . 2 7 . . . 48 K QG . 16635 1 637 . 1 1 47 47 LYS C C 13 178.379 0.000 . 1 1 . . . 48 K C . 16635 1 638 . 1 1 47 47 LYS CA C 13 60.706 0.009 . 1 6 . . . 48 K CA . 16635 1 639 . 1 1 47 47 LYS CB C 13 31.645 0.028 . 1 7 . . . 48 K CB . 16635 1 640 . 1 1 47 47 LYS CD C 13 29.690 0.000 . 1 1 . . . 48 K CD . 16635 1 641 . 1 1 47 47 LYS CE C 13 41.940 0.000 . 1 1 . . . 48 K CE . 16635 1 642 . 1 1 47 47 LYS CG C 13 24.445 0.035 . 1 4 . . . 48 K CG . 16635 1 643 . 1 1 47 47 LYS N N 15 123.193 0.015 . 1 4 . . . 48 K N . 16635 1 644 . 1 1 48 48 GLU H H 1 9.379 0.001 . 1 4 . . . 49 E H . 16635 1 645 . 1 1 48 48 GLU HA H 1 4.052 0.001 . 1 4 . . . 49 E HA . 16635 1 646 . 1 1 48 48 GLU HB2 H 1 2.017 0.001 . 2 3 . . . 49 E QB . 16635 1 647 . 1 1 48 48 GLU HB3 H 1 2.017 0.001 . 2 3 . . . 49 E QB . 16635 1 648 . 1 1 48 48 GLU HG2 H 1 2.397 0.002 . 2 3 . . . 49 E HG2 . 16635 1 649 . 1 1 48 48 GLU HG3 H 1 2.282 0.000 . 2 1 . . . 49 E HG3 . 16635 1 650 . 1 1 48 48 GLU C C 13 179.176 0.000 . 1 1 . . . 49 E C . 16635 1 651 . 1 1 48 48 GLU CA C 13 59.861 0.127 . 1 2 . . . 49 E CA . 16635 1 652 . 1 1 48 48 GLU CB C 13 28.290 0.119 . 1 3 . . . 49 E CB . 16635 1 653 . 1 1 48 48 GLU CG C 13 36.959 0.022 . 1 2 . . . 49 E CG . 16635 1 654 . 1 1 48 48 GLU N N 15 116.806 0.015 . 1 4 . . . 49 E N . 16635 1 655 . 1 1 49 49 GLU H H 1 7.905 0.001 . 1 4 . . . 50 E H . 16635 1 656 . 1 1 49 49 GLU HA H 1 4.202 0.011 . 1 6 . . . 50 E HA . 16635 1 657 . 1 1 49 49 GLU HB2 H 1 2.036 0.001 . 2 2 . . . 50 E QB . 16635 1 658 . 1 1 49 49 GLU HB3 H 1 2.036 0.001 . 2 2 . . . 50 E QB . 16635 1 659 . 1 1 49 49 GLU HG2 H 1 2.260 0.001 . 2 2 . . . 50 E HG2 . 16635 1 660 . 1 1 49 49 GLU HG3 H 1 2.226 0.002 . 2 2 . . . 50 E HG3 . 16635 1 661 . 1 1 49 49 GLU C C 13 177.967 0.000 . 1 1 . . . 50 E C . 16635 1 662 . 1 1 49 49 GLU CA C 13 57.590 0.004 . 1 4 . . . 50 E CA . 16635 1 663 . 1 1 49 49 GLU CB C 13 29.449 0.082 . 1 2 . . . 50 E CB . 16635 1 664 . 1 1 49 49 GLU CG C 13 36.329 0.020 . 1 2 . . . 50 E CG . 16635 1 665 . 1 1 49 49 GLU N N 15 118.471 0.013 . 1 4 . . . 50 E N . 16635 1 666 . 1 1 50 50 LEU H H 1 7.673 0.001 . 1 4 . . . 51 L H . 16635 1 667 . 1 1 50 50 LEU HA H 1 4.251 0.003 . 1 7 . . . 51 L HA . 16635 1 668 . 1 1 50 50 LEU HB2 H 1 1.991 0.008 . 2 10 . . . 51 L HB2 . 16635 1 669 . 1 1 50 50 LEU HB3 H 1 1.327 0.004 . 2 10 . . . 51 L HB3 . 16635 1 670 . 1 1 50 50 LEU HD11 H 1 0.658 0.009 . . 10 . . . 51 L HD# . 16635 1 671 . 1 1 50 50 LEU HD12 H 1 0.658 0.009 . . 10 . . . 51 L HD# . 16635 1 672 . 1 1 50 50 LEU HD13 H 1 0.658 0.009 . . 10 . . . 51 L HD# . 16635 1 673 . 1 1 50 50 LEU HD21 H 1 0.658 0.009 . . 10 . . . 51 L HD# . 16635 1 674 . 1 1 50 50 LEU HD22 H 1 0.658 0.009 . . 10 . . . 51 L HD# . 16635 1 675 . 1 1 50 50 LEU HD23 H 1 0.658 0.009 . . 10 . . . 51 L HD# . 16635 1 676 . 1 1 50 50 LEU HG H 1 1.587 0.008 . 1 9 . . . 51 L HG . 16635 1 677 . 1 1 50 50 LEU C C 13 178.609 0.000 . 1 1 . . . 51 L C . 16635 1 678 . 1 1 50 50 LEU CA C 13 55.781 0.105 . 1 5 . . . 51 L CA . 16635 1 679 . 1 1 50 50 LEU CB C 13 41.974 0.061 . 1 11 . . . 51 L CB . 16635 1 680 . 1 1 50 50 LEU CD1 C 13 22.794 0.017 . . 5 . . . 51 L CD# . 16635 1 681 . 1 1 50 50 LEU CD2 C 13 22.794 0.017 . . 5 . . . 51 L CD# . 16635 1 682 . 1 1 50 50 LEU CG C 13 26.857 0.073 . 1 4 . . . 51 L CG . 16635 1 683 . 1 1 50 50 LEU N N 15 118.314 0.013 . 1 4 . . . 51 L N . 16635 1 684 . 1 1 51 51 GLY H H 1 7.588 0.002 . 1 3 . . . 52 G H . 16635 1 685 . 1 1 51 51 GLY HA2 H 1 4.000 0.003 . 2 4 . . . 52 G HA2 . 16635 1 686 . 1 1 51 51 GLY HA3 H 1 3.788 0.003 . 2 4 . . . 52 G HA3 . 16635 1 687 . 1 1 51 51 GLY C C 13 176.052 0.000 . 1 1 . . . 52 G C . 16635 1 688 . 1 1 51 51 GLY CA C 13 47.717 0.037 . 1 5 . . . 52 G CA . 16635 1 689 . 1 1 51 51 GLY N N 15 105.811 0.009 . 1 3 . . . 52 G N . 16635 1 690 . 1 1 52 52 ASP H H 1 8.993 0.002 . 1 4 . . . 53 D H . 16635 1 691 . 1 1 52 52 ASP HA H 1 4.569 0.005 . 1 6 . . . 53 D HA . 16635 1 692 . 1 1 52 52 ASP HB2 H 1 2.792 0.003 . 2 2 . . . 53 D HB2 . 16635 1 693 . 1 1 52 52 ASP HB3 H 1 2.762 0.002 . 2 2 . . . 53 D HB3 . 16635 1 694 . 1 1 52 52 ASP C C 13 177.183 0.000 . 1 1 . . . 53 D C . 16635 1 695 . 1 1 52 52 ASP CA C 13 56.217 0.010 . 1 4 . . . 53 D CA . 16635 1 696 . 1 1 52 52 ASP CB C 13 40.084 0.018 . 1 3 . . . 53 D CB . 16635 1 697 . 1 1 52 52 ASP N N 15 124.458 0.042 . 1 4 . . . 53 D N . 16635 1 698 . 1 1 53 53 ARG H H 1 8.220 0.002 . 1 4 . . . 54 R H . 16635 1 699 . 1 1 53 53 ARG HA H 1 4.344 0.002 . 1 12 . . . 54 R HA . 16635 1 700 . 1 1 53 53 ARG HB2 H 1 1.988 0.003 . 2 6 . . . 54 R HB2 . 16635 1 701 . 1 1 53 53 ARG HB3 H 1 1.789 0.003 . 2 4 . . . 54 R HB3 . 16635 1 702 . 1 1 53 53 ARG HD2 H 1 3.210 0.001 . 2 10 . . . 54 R HD2 . 16635 1 703 . 1 1 53 53 ARG HD3 H 1 3.148 0.002 . 2 10 . . . 54 R HD3 . 16635 1 704 . 1 1 53 53 ARG HE H 1 7.244 0.001 . 1 2 . . . 54 R HE . 16635 1 705 . 1 1 53 53 ARG HG2 H 1 1.903 0.003 . 2 6 . . . 54 R HG2 . 16635 1 706 . 1 1 53 53 ARG HG3 H 1 1.746 0.003 . 2 4 . . . 54 R HG3 . 16635 1 707 . 1 1 53 53 ARG C C 13 178.781 0.000 . 1 1 . . . 54 R C . 16635 1 708 . 1 1 53 53 ARG CA C 13 57.899 0.021 . 1 7 . . . 54 R CA . 16635 1 709 . 1 1 53 53 ARG CB C 13 31.614 0.026 . 1 7 . . . 54 R CB . 16635 1 710 . 1 1 53 53 ARG CD C 13 44.350 0.001 . 1 9 . . . 54 R CD . 16635 1 711 . 1 1 53 53 ARG CG C 13 27.180 0.041 . 1 7 . . . 54 R CG . 16635 1 712 . 1 1 53 53 ARG N N 15 117.684 0.017 . 1 4 . . . 54 R N . 16635 1 713 . 1 1 53 53 ARG NE N 15 83.996 0.003 . 1 2 . . . 54 R NE . 16635 1 714 . 1 1 54 54 ILE H H 1 7.649 0.002 . 1 4 . . . 55 I H . 16635 1 715 . 1 1 54 54 ILE HA H 1 3.696 0.001 . 1 11 . . . 55 I HA . 16635 1 716 . 1 1 54 54 ILE HB H 1 1.982 0.001 . 1 11 . . . 55 I HB . 16635 1 717 . 1 1 54 54 ILE HD11 H 1 0.984 0.003 . . 11 . . . 55 I HD1 . 16635 1 718 . 1 1 54 54 ILE HD12 H 1 0.984 0.003 . . 11 . . . 55 I HD1 . 16635 1 719 . 1 1 54 54 ILE HD13 H 1 0.984 0.003 . . 11 . . . 55 I HD1 . 16635 1 720 . 1 1 54 54 ILE HG12 H 1 1.749 0.002 . 2 9 . . . 55 I HG12 . 16635 1 721 . 1 1 54 54 ILE HG13 H 1 0.981 0.001 . 2 5 . . . 55 I HG13 . 16635 1 722 . 1 1 54 54 ILE HG21 H 1 1.095 0.004 . . 11 . . . 55 I HG2 . 16635 1 723 . 1 1 54 54 ILE HG22 H 1 1.095 0.004 . . 11 . . . 55 I HG2 . 16635 1 724 . 1 1 54 54 ILE HG23 H 1 1.095 0.004 . . 11 . . . 55 I HG2 . 16635 1 725 . 1 1 54 54 ILE C C 13 176.685 0.000 . 1 1 . . . 55 I C . 16635 1 726 . 1 1 54 54 ILE CA C 13 66.595 0.016 . 1 6 . . . 55 I CA . 16635 1 727 . 1 1 54 54 ILE CB C 13 37.830 0.029 . 1 6 . . . 55 I CB . 16635 1 728 . 1 1 54 54 ILE CD1 C 13 13.261 0.009 . 1 5 . . . 55 I CD1 . 16635 1 729 . 1 1 54 54 ILE CG1 C 13 29.436 0.023 . 1 9 . . . 55 I CG1 . 16635 1 730 . 1 1 54 54 ILE CG2 C 13 17.703 0.006 . 1 5 . . . 55 I CG2 . 16635 1 731 . 1 1 54 54 ILE N N 15 119.706 0.016 . 1 4 . . . 55 I N . 16635 1 732 . 1 1 55 55 ALA H H 1 8.092 0.002 . 1 4 . . . 56 A H . 16635 1 733 . 1 1 55 55 ALA HA H 1 4.191 0.002 . 1 2 . . . 56 A HA . 16635 1 734 . 1 1 55 55 ALA HB1 H 1 1.480 0.004 . 1 4 . . . 56 A MB . 16635 1 735 . 1 1 55 55 ALA HB2 H 1 1.480 0.004 . 1 4 . . . 56 A MB . 16635 1 736 . 1 1 55 55 ALA HB3 H 1 1.480 0.004 . 1 4 . . . 56 A MB . 16635 1 737 . 1 1 55 55 ALA C C 13 180.741 0.000 . 1 1 . . . 56 A C . 16635 1 738 . 1 1 55 55 ALA CA C 13 55.459 0.056 . 1 2 . . . 56 A CA . 16635 1 739 . 1 1 55 55 ALA CB C 13 17.925 0.066 . 1 3 . . . 56 A CB . 16635 1 740 . 1 1 55 55 ALA N N 15 122.791 0.030 . 1 4 . . . 56 A N . 16635 1 741 . 1 1 56 56 GLN H H 1 7.834 0.002 . 1 4 . . . 57 Q H . 16635 1 742 . 1 1 56 56 GLN HA H 1 3.986 0.003 . 1 7 . . . 57 Q HA . 16635 1 743 . 1 1 56 56 GLN HB2 H 1 2.197 0.002 . 2 4 . . . 57 Q HB2 . 16635 1 744 . 1 1 56 56 GLN HB3 H 1 2.085 0.001 . 2 3 . . . 57 Q HB3 . 16635 1 745 . 1 1 56 56 GLN HE21 H 1 8.026 0.000 . 2 1 . . . 57 Q HE21 . 16635 1 746 . 1 1 56 56 GLN HE22 H 1 6.860 0.000 . 2 1 . . . 57 Q HE22 . 16635 1 747 . 1 1 56 56 GLN HG2 H 1 2.525 0.004 . 2 7 . . . 57 Q HG2 . 16635 1 748 . 1 1 56 56 GLN HG3 H 1 2.456 0.005 . 2 7 . . . 57 Q HG3 . 16635 1 749 . 1 1 56 56 GLN C C 13 176.673 0.000 . 1 1 . . . 57 Q C . 16635 1 750 . 1 1 56 56 GLN CA C 13 57.471 1.035 . 1 5 . . . 57 Q CA . 16635 1 751 . 1 1 56 56 GLN CB C 13 28.667 0.039 . 1 4 . . . 57 Q CB . 16635 1 752 . 1 1 56 56 GLN CG C 13 33.430 0.000 . 1 7 . . . 57 Q CG . 16635 1 753 . 1 1 56 56 GLN N N 15 117.500 0.020 . 1 4 . . . 57 Q N . 16635 1 754 . 1 1 56 56 GLN NE2 N 15 115.571 0.002 . 1 2 . . . 57 Q NE2 . 16635 1 755 . 1 1 57 57 PHE H H 1 7.974 0.002 . 1 4 . . . 58 F H . 16635 1 756 . 1 1 57 57 PHE HA H 1 4.888 0.002 . 1 4 . . . 58 F HA . 16635 1 757 . 1 1 57 57 PHE HB2 H 1 3.435 0.002 . 2 4 . . . 58 F HB2 . 16635 1 758 . 1 1 57 57 PHE HB3 H 1 3.400 0.001 . 2 4 . . . 58 F HB3 . 16635 1 759 . 1 1 57 57 PHE HD1 H 1 7.095 0.002 . 3 3 . . . 58 F QD . 16635 1 760 . 1 1 57 57 PHE HD2 H 1 7.095 0.002 . 3 3 . . . 58 F QD . 16635 1 761 . 1 1 57 57 PHE HE1 H 1 6.578 0.003 . 3 3 . . . 58 F QE . 16635 1 762 . 1 1 57 57 PHE HE2 H 1 6.578 0.003 . 3 3 . . . 58 F QE . 16635 1 763 . 1 1 57 57 PHE HZ H 1 6.603 0.000 . 1 1 . . . 58 F HZ . 16635 1 764 . 1 1 57 57 PHE C C 13 175.992 0.000 . 1 1 . . . 58 F C . 16635 1 765 . 1 1 57 57 PHE CA C 13 58.211 0.004 . 1 3 . . . 58 F CA . 16635 1 766 . 1 1 57 57 PHE CB C 13 39.326 0.022 . 1 5 . . . 58 F CB . 16635 1 767 . 1 1 57 57 PHE CD1 C 13 131.716 0.024 . . 2 . . . 58 F CD# . 16635 1 768 . 1 1 57 57 PHE CD2 C 13 131.716 0.024 . . 2 . . . 58 F CD# . 16635 1 769 . 1 1 57 57 PHE CE1 C 13 129.834 0.044 . . 2 . . . 58 F CE# . 16635 1 770 . 1 1 57 57 PHE CE2 C 13 129.834 0.044 . . 2 . . . 58 F CE# . 16635 1 771 . 1 1 57 57 PHE CZ C 13 128.484 0.000 . 1 1 . . . 58 F CZ . 16635 1 772 . 1 1 57 57 PHE N N 15 120.296 0.022 . 1 4 . . . 58 F N . 16635 1 773 . 1 1 58 58 TYR H H 1 8.360 0.002 . 1 4 . . . 59 Y H . 16635 1 774 . 1 1 58 58 TYR HA H 1 3.341 0.004 . 1 4 . . . 59 Y HA . 16635 1 775 . 1 1 58 58 TYR HB2 H 1 2.935 0.001 . 2 4 . . . 59 Y HB2 . 16635 1 776 . 1 1 58 58 TYR HB3 H 1 2.731 0.003 . 2 4 . . . 59 Y HB3 . 16635 1 777 . 1 1 58 58 TYR HD1 H 1 6.324 0.001 . 3 4 . . . 59 Y QD . 16635 1 778 . 1 1 58 58 TYR HD2 H 1 6.324 0.001 . 3 4 . . . 59 Y QD . 16635 1 779 . 1 1 58 58 TYR HE1 H 1 6.624 0.003 . 3 4 . . . 59 Y QE . 16635 1 780 . 1 1 58 58 TYR HE2 H 1 6.624 0.003 . 3 4 . . . 59 Y QE . 16635 1 781 . 1 1 58 58 TYR C C 13 177.976 0.000 . 1 1 . . . 59 Y C . 16635 1 782 . 1 1 58 58 TYR CA C 13 62.215 0.091 . 1 3 . . . 59 Y CA . 16635 1 783 . 1 1 58 58 TYR CB C 13 37.814 0.022 . 1 5 . . . 59 Y CB . 16635 1 784 . 1 1 58 58 TYR CD1 C 13 132.812 0.029 . . 3 . . . 59 Y CD# . 16635 1 785 . 1 1 58 58 TYR CD2 C 13 132.812 0.029 . . 3 . . . 59 Y CD# . 16635 1 786 . 1 1 58 58 TYR CE1 C 13 118.002 0.018 . . 3 . . . 59 Y CE# . 16635 1 787 . 1 1 58 58 TYR CE2 C 13 118.002 0.018 . . 3 . . . 59 Y CE# . 16635 1 788 . 1 1 58 58 TYR N N 15 118.266 0.017 . 1 4 . . . 59 Y N . 16635 1 789 . 1 1 59 59 THR H H 1 7.896 0.004 . 1 4 . . . 60 T H . 16635 1 790 . 1 1 59 59 THR HA H 1 3.728 0.003 . 1 4 . . . 60 T HA . 16635 1 791 . 1 1 59 59 THR HB H 1 4.346 0.002 . 1 6 . . . 60 T HB . 16635 1 792 . 1 1 59 59 THR HG21 H 1 1.229 0.002 . . 6 . . . 60 T HG2 . 16635 1 793 . 1 1 59 59 THR HG22 H 1 1.229 0.002 . . 6 . . . 60 T HG2 . 16635 1 794 . 1 1 59 59 THR HG23 H 1 1.229 0.002 . . 6 . . . 60 T HG2 . 16635 1 795 . 1 1 59 59 THR C C 13 175.942 0.000 . 1 1 . . . 60 T C . 16635 1 796 . 1 1 59 59 THR CA C 13 66.987 0.107 . 1 3 . . . 60 T CA . 16635 1 797 . 1 1 59 59 THR CB C 13 68.644 0.062 . 1 4 . . . 60 T CB . 16635 1 798 . 1 1 59 59 THR CG2 C 13 21.964 0.007 . 1 3 . . . 60 T CG2 . 16635 1 799 . 1 1 59 59 THR N N 15 116.582 0.027 . 1 4 . . . 60 T N . 16635 1 800 . 1 1 60 60 ASP H H 1 8.715 0.002 . 1 4 . . . 61 D H . 16635 1 801 . 1 1 60 60 ASP HA H 1 4.356 0.001 . 1 4 . . . 61 D HA . 16635 1 802 . 1 1 60 60 ASP HB2 H 1 2.869 0.003 . 2 4 . . . 61 D HB2 . 16635 1 803 . 1 1 60 60 ASP HB3 H 1 2.499 0.002 . 2 4 . . . 61 D HB3 . 16635 1 804 . 1 1 60 60 ASP C C 13 178.811 0.000 . 1 1 . . . 61 D C . 16635 1 805 . 1 1 60 60 ASP CA C 13 57.805 0.048 . 1 3 . . . 61 D CA . 16635 1 806 . 1 1 60 60 ASP CB C 13 40.340 0.057 . 1 5 . . . 61 D CB . 16635 1 807 . 1 1 60 60 ASP N N 15 122.777 0.025 . 1 4 . . . 61 D N . 16635 1 808 . 1 1 61 61 LEU H H 1 8.076 0.001 . 1 4 . . . 62 L H . 16635 1 809 . 1 1 61 61 LEU HA H 1 3.253 0.001 . 1 12 . . . 62 L HA . 16635 1 810 . 1 1 61 61 LEU HB2 H 1 0.595 0.003 . 2 8 . . . 62 L HB2 . 16635 1 811 . 1 1 61 61 LEU HB3 H 1 -0.101 0.004 . 2 12 . . . 62 L HB3 . 16635 1 812 . 1 1 61 61 LEU HD11 H 1 -0.768 0.002 . 2 9 . . . 62 L MD1 . 16635 1 813 . 1 1 61 61 LEU HD12 H 1 -0.768 0.002 . 2 9 . . . 62 L MD1 . 16635 1 814 . 1 1 61 61 LEU HD13 H 1 -0.768 0.002 . 2 9 . . . 62 L MD1 . 16635 1 815 . 1 1 61 61 LEU HD21 H 1 -0.797 0.002 . 2 10 . . . 62 L MD2 . 16635 1 816 . 1 1 61 61 LEU HD22 H 1 -0.797 0.002 . 2 10 . . . 62 L MD2 . 16635 1 817 . 1 1 61 61 LEU HD23 H 1 -0.797 0.002 . 2 10 . . . 62 L MD2 . 16635 1 818 . 1 1 61 61 LEU HG H 1 0.351 0.002 . 1 9 . . . 62 L HG . 16635 1 819 . 1 1 61 61 LEU C C 13 177.552 0.000 . 1 1 . . . 62 L C . 16635 1 820 . 1 1 61 61 LEU CA C 13 57.623 0.012 . 1 7 . . . 62 L CA . 16635 1 821 . 1 1 61 61 LEU CB C 13 40.960 0.045 . 1 11 . . . 62 L CB . 16635 1 822 . 1 1 61 61 LEU CD1 C 13 21.612 0.024 . 2 5 . . . 62 L CD1 . 16635 1 823 . 1 1 61 61 LEU CD2 C 13 23.678 0.014 . 2 5 . . . 62 L CD2 . 16635 1 824 . 1 1 61 61 LEU CG C 13 25.124 0.031 . 1 4 . . . 62 L CG . 16635 1 825 . 1 1 61 61 LEU N N 15 120.072 0.026 . 1 4 . . . 62 L N . 16635 1 826 . 1 1 62 62 ASN H H 1 7.018 0.002 . 1 4 . . . 63 N H . 16635 1 827 . 1 1 62 62 ASN HA H 1 4.453 0.002 . 1 4 . . . 63 N HA . 16635 1 828 . 1 1 62 62 ASN HB2 H 1 2.830 0.000 . 2 2 . . . 63 N HB2 . 16635 1 829 . 1 1 62 62 ASN HB3 H 1 2.594 0.001 . 2 2 . . . 63 N HB3 . 16635 1 830 . 1 1 62 62 ASN HD21 H 1 7.091 0.000 . 2 1 . . . 63 N HD21 . 16635 1 831 . 1 1 62 62 ASN HD22 H 1 5.373 0.000 . 2 1 . . . 63 N HD22 . 16635 1 832 . 1 1 62 62 ASN C C 13 176.779 0.000 . 1 1 . . . 63 N C . 16635 1 833 . 1 1 62 62 ASN CA C 13 56.052 0.001 . 1 2 . . . 63 N CA . 16635 1 834 . 1 1 62 62 ASN CB C 13 44.349 6.768 . 1 4 . . . 63 N CB . 16635 1 835 . 1 1 62 62 ASN N N 15 112.417 0.004 . 1 4 . . . 63 N N . 16635 1 836 . 1 1 62 62 ASN ND2 N 15 112.678 0.008 . 1 2 . . . 63 N ND2 . 16635 1 837 . 1 1 63 63 ILE H H 1 7.743 0.001 . 1 4 . . . 64 I H . 16635 1 838 . 1 1 63 63 ILE HA H 1 4.388 0.002 . 1 10 . . . 64 I HA . 16635 1 839 . 1 1 63 63 ILE HB H 1 2.025 0.003 . 1 10 . . . 64 I HB . 16635 1 840 . 1 1 63 63 ILE HD11 H 1 0.834 0.003 . . 7 . . . 64 I HD1 . 16635 1 841 . 1 1 63 63 ILE HD12 H 1 0.834 0.003 . . 7 . . . 64 I HD1 . 16635 1 842 . 1 1 63 63 ILE HD13 H 1 0.834 0.003 . . 7 . . . 64 I HD1 . 16635 1 843 . 1 1 63 63 ILE HG12 H 1 1.427 0.007 . . 8 . . . 64 I QG1 . 16635 1 844 . 1 1 63 63 ILE HG13 H 1 1.427 0.007 . . 8 . . . 64 I QG1 . 16635 1 845 . 1 1 63 63 ILE HG21 H 1 0.921 0.002 . . 7 . . . 64 I HG2 . 16635 1 846 . 1 1 63 63 ILE HG22 H 1 0.921 0.002 . . 7 . . . 64 I HG2 . 16635 1 847 . 1 1 63 63 ILE HG23 H 1 0.921 0.002 . . 7 . . . 64 I HG2 . 16635 1 848 . 1 1 63 63 ILE C C 13 176.550 0.000 . 1 1 . . . 64 I C . 16635 1 849 . 1 1 63 63 ILE CA C 13 61.752 0.004 . 1 6 . . . 64 I CA . 16635 1 850 . 1 1 63 63 ILE CB C 13 39.490 0.019 . 1 6 . . . 64 I CB . 16635 1 851 . 1 1 63 63 ILE CD1 C 13 13.584 0.003 . 1 3 . . . 64 I CD1 . 16635 1 852 . 1 1 63 63 ILE CG1 C 13 27.030 0.019 . 1 4 . . . 64 I CG1 . 16635 1 853 . 1 1 63 63 ILE CG2 C 13 17.492 0.015 . 1 4 . . . 64 I CG2 . 16635 1 854 . 1 1 63 63 ILE N N 15 113.809 0.010 . 1 4 . . . 64 I N . 16635 1 855 . 1 1 64 64 ASP H H 1 8.020 0.002 . 1 4 . . . 65 D H . 16635 1 856 . 1 1 64 64 ASP HA H 1 4.438 0.003 . 1 4 . . . 65 D HA . 16635 1 857 . 1 1 64 64 ASP HB2 H 1 3.136 0.000 . 2 1 . . . 65 D HB2 . 16635 1 858 . 1 1 64 64 ASP HB3 H 1 2.893 0.000 . 2 1 . . . 65 D HB3 . 16635 1 859 . 1 1 64 64 ASP CA C 13 56.309 0.020 . 1 2 . . . 65 D CA . 16635 1 860 . 1 1 64 64 ASP CB C 13 43.267 0.063 . 1 3 . . . 65 D CB . 16635 1 861 . 1 1 64 64 ASP N N 15 124.195 0.052 . 1 4 . . . 65 D N . 16635 1 862 . 1 1 65 65 GLY H H 1 8.783 0.000 . 1 1 . . . 66 G H . 16635 1 863 . 1 1 65 65 GLY HA2 H 1 4.186 0.000 . 2 1 . . . 66 G HA2 . 16635 1 864 . 1 1 65 65 GLY HA3 H 1 3.958 0.000 . 2 1 . . . 66 G HA3 . 16635 1 865 . 1 1 65 65 GLY C C 13 176.049 0.000 . 1 1 . . . 66 G C . 16635 1 866 . 1 1 65 65 GLY CA C 13 46.093 0.000 . 1 1 . . . 66 G CA . 16635 1 867 . 1 1 65 65 GLY N N 15 110.323 0.000 . 1 1 . . . 66 G N . 16635 1 868 . 1 1 66 66 ARG H H 1 9.066 0.002 . 1 4 . . . 67 R H . 16635 1 869 . 1 1 66 66 ARG HA H 1 4.077 0.001 . 1 4 . . . 67 R HA . 16635 1 870 . 1 1 66 66 ARG HB2 H 1 1.692 0.001 . 2 2 . . . 67 R HB2 . 16635 1 871 . 1 1 66 66 ARG HB3 H 1 1.632 0.000 . 2 2 . . . 67 R HB3 . 16635 1 872 . 1 1 66 66 ARG HD2 H 1 2.984 0.003 . 2 5 . . . 67 R HD2 . 16635 1 873 . 1 1 66 66 ARG HD3 H 1 2.934 0.004 . 2 5 . . . 67 R HD3 . 16635 1 874 . 1 1 66 66 ARG HG2 H 1 1.691 0.000 . 2 1 . . . 67 R HG2 . 16635 1 875 . 1 1 66 66 ARG HG3 H 1 1.546 0.000 . 2 1 . . . 67 R HG3 . 16635 1 876 . 1 1 66 66 ARG C C 13 177.797 0.000 . 1 1 . . . 67 R C . 16635 1 877 . 1 1 66 66 ARG CA C 13 57.841 0.044 . 1 3 . . . 67 R CA . 16635 1 878 . 1 1 66 66 ARG CB C 13 30.120 0.020 . 1 5 . . . 67 R CB . 16635 1 879 . 1 1 66 66 ARG CD C 13 41.946 0.000 . 1 2 . . . 67 R CD . 16635 1 880 . 1 1 66 66 ARG CG C 13 26.165 0.002 . 1 2 . . . 67 R CG . 16635 1 881 . 1 1 66 66 ARG N N 15 118.022 0.014 . 1 4 . . . 67 R N . 16635 1 882 . 1 1 67 67 PHE H H 1 8.232 0.001 . 1 4 . . . 68 F H . 16635 1 883 . 1 1 67 67 PHE HA H 1 5.101 0.002 . 1 4 . . . 68 F HA . 16635 1 884 . 1 1 67 67 PHE HB2 H 1 3.478 0.003 . 2 4 . . . 68 F HB2 . 16635 1 885 . 1 1 67 67 PHE HB3 H 1 3.297 0.003 . 2 4 . . . 68 F HB3 . 16635 1 886 . 1 1 67 67 PHE HD1 H 1 7.235 0.003 . 3 4 . . . 68 F QD . 16635 1 887 . 1 1 67 67 PHE HD2 H 1 7.235 0.003 . 3 4 . . . 68 F QD . 16635 1 888 . 1 1 67 67 PHE HE1 H 1 7.065 0.001 . 3 3 . . . 68 F QE . 16635 1 889 . 1 1 67 67 PHE HE2 H 1 7.065 0.001 . 3 3 . . . 68 F QE . 16635 1 890 . 1 1 67 67 PHE HZ H 1 7.488 0.015 . 1 4 . . . 68 F HZ . 16635 1 891 . 1 1 67 67 PHE C C 13 174.089 0.000 . 1 1 . . . 68 F C . 16635 1 892 . 1 1 67 67 PHE CA C 13 56.912 0.010 . 1 3 . . . 68 F CA . 16635 1 893 . 1 1 67 67 PHE CB C 13 41.553 0.024 . 1 5 . . . 68 F CB . 16635 1 894 . 1 1 67 67 PHE CD1 C 13 132.862 0.021 . . 2 . . . 68 F CD# . 16635 1 895 . 1 1 67 67 PHE CD2 C 13 132.862 0.021 . . 2 . . . 68 F CD# . 16635 1 896 . 1 1 67 67 PHE CE1 C 13 130.403 0.026 . . 3 . . . 68 F CE# . 16635 1 897 . 1 1 67 67 PHE CE2 C 13 130.403 0.026 . . 3 . . . 68 F CE# . 16635 1 898 . 1 1 67 67 PHE CZ C 13 131.051 0.006 . 1 2 . . . 68 F CZ . 16635 1 899 . 1 1 67 67 PHE N N 15 119.054 0.052 . 1 4 . . . 68 F N . 16635 1 900 . 1 1 68 68 LEU H H 1 8.712 0.001 . 1 4 . . . 69 L H . 16635 1 901 . 1 1 68 68 LEU HA H 1 4.612 0.001 . 1 10 . . . 69 L HA . 16635 1 902 . 1 1 68 68 LEU HB2 H 1 1.253 0.004 . 2 7 . . . 69 L HB2 . 16635 1 903 . 1 1 68 68 LEU HB3 H 1 1.027 0.003 . 2 5 . . . 69 L HB3 . 16635 1 904 . 1 1 68 68 LEU HD11 H 1 0.757 0.001 . 2 7 . . . 69 L MD1 . 16635 1 905 . 1 1 68 68 LEU HD12 H 1 0.757 0.001 . 2 7 . . . 69 L MD1 . 16635 1 906 . 1 1 68 68 LEU HD13 H 1 0.757 0.001 . 2 7 . . . 69 L MD1 . 16635 1 907 . 1 1 68 68 LEU HD21 H 1 0.549 0.004 . 2 10 . . . 69 L MD2 . 16635 1 908 . 1 1 68 68 LEU HD22 H 1 0.549 0.004 . 2 10 . . . 69 L MD2 . 16635 1 909 . 1 1 68 68 LEU HD23 H 1 0.549 0.004 . 2 10 . . . 69 L MD2 . 16635 1 910 . 1 1 68 68 LEU HG H 1 1.092 0.003 . 1 9 . . . 69 L HG . 16635 1 911 . 1 1 68 68 LEU C C 13 172.966 0.000 . 1 1 . . . 69 L C . 16635 1 912 . 1 1 68 68 LEU CA C 13 54.014 0.034 . 1 6 . . . 69 L CA . 16635 1 913 . 1 1 68 68 LEU CB C 13 46.641 0.077 . 1 8 . . . 69 L CB . 16635 1 914 . 1 1 68 68 LEU CD1 C 13 24.070 0.013 . 2 2 . . . 69 L CD1 . 16635 1 915 . 1 1 68 68 LEU CD2 C 13 25.927 0.019 . 2 5 . . . 69 L CD2 . 16635 1 916 . 1 1 68 68 LEU CG C 13 26.953 0.021 . 1 5 . . . 69 L CG . 16635 1 917 . 1 1 68 68 LEU N N 15 122.527 0.011 . 1 4 . . . 69 L N . 16635 1 918 . 1 1 69 69 ALA H H 1 8.113 0.002 . 1 4 . . . 70 A H . 16635 1 919 . 1 1 69 69 ALA HA H 1 3.551 0.003 . 1 2 . . . 70 A HA . 16635 1 920 . 1 1 69 69 ALA HB1 H 1 0.322 0.002 . 1 4 . . . 70 A MB . 16635 1 921 . 1 1 69 69 ALA HB2 H 1 0.322 0.002 . 1 4 . . . 70 A MB . 16635 1 922 . 1 1 69 69 ALA HB3 H 1 0.322 0.002 . 1 4 . . . 70 A MB . 16635 1 923 . 1 1 69 69 ALA C C 13 177.105 0.000 . 1 1 . . . 70 A C . 16635 1 924 . 1 1 69 69 ALA CA C 13 50.882 0.008 . 1 2 . . . 70 A CA . 16635 1 925 . 1 1 69 69 ALA CB C 13 17.208 0.038 . 1 3 . . . 70 A CB . 16635 1 926 . 1 1 69 69 ALA N N 15 128.807 0.012 . 1 4 . . . 70 A N . 16635 1 927 . 1 1 70 70 LEU H H 1 8.180 0.002 . 1 4 . . . 71 L H . 16635 1 928 . 1 1 70 70 LEU HA H 1 4.221 0.003 . 1 10 . . . 71 L HA . 16635 1 929 . 1 1 70 70 LEU HB2 H 1 1.633 0.000 . 2 2 . . . 71 L HB2 . 16635 1 930 . 1 1 70 70 LEU HB3 H 1 1.421 0.003 . 2 2 . . . 71 L HB3 . 16635 1 931 . 1 1 70 70 LEU HD11 H 1 0.708 0.006 . 2 6 . . . 71 L MD1 . 16635 1 932 . 1 1 70 70 LEU HD12 H 1 0.708 0.006 . 2 6 . . . 71 L MD1 . 16635 1 933 . 1 1 70 70 LEU HD13 H 1 0.708 0.006 . 2 6 . . . 71 L MD1 . 16635 1 934 . 1 1 70 70 LEU HD21 H 1 0.474 0.002 . 2 10 . . . 71 L MD2 . 16635 1 935 . 1 1 70 70 LEU HD22 H 1 0.474 0.002 . 2 10 . . . 71 L MD2 . 16635 1 936 . 1 1 70 70 LEU HD23 H 1 0.474 0.002 . 2 10 . . . 71 L MD2 . 16635 1 937 . 1 1 70 70 LEU HG H 1 1.319 0.005 . 1 6 . . . 71 L HG . 16635 1 938 . 1 1 70 70 LEU C C 13 178.664 0.000 . 1 1 . . . 71 L C . 16635 1 939 . 1 1 70 70 LEU CA C 13 54.431 0.023 . 1 7 . . . 71 L CA . 16635 1 940 . 1 1 70 70 LEU CB C 13 42.202 0.022 . 1 3 . . . 71 L CB . 16635 1 941 . 1 1 70 70 LEU CD1 C 13 24.687 0.018 . 2 3 . . . 71 L CD1 . 16635 1 942 . 1 1 70 70 LEU CD2 C 13 23.331 0.013 . 2 4 . . . 71 L CD2 . 16635 1 943 . 1 1 70 70 LEU CG C 13 28.133 0.006 . 1 3 . . . 71 L CG . 16635 1 944 . 1 1 70 70 LEU N N 15 125.523 0.032 . 1 4 . . . 71 L N . 16635 1 945 . 1 1 71 71 SER H H 1 8.268 0.002 . 1 4 . . . 72 S H . 16635 1 946 . 1 1 71 71 SER HA H 1 4.119 0.002 . 1 4 . . . 72 S HA . 16635 1 947 . 1 1 71 71 SER HB2 H 1 3.916 0.004 . 2 6 . . . 72 S HB2 . 16635 1 948 . 1 1 71 71 SER HB3 H 1 3.859 0.002 . 2 6 . . . 72 S HB3 . 16635 1 949 . 1 1 71 71 SER C C 13 174.035 0.000 . 1 1 . . . 72 S C . 16635 1 950 . 1 1 71 71 SER CA C 13 60.015 0.050 . 1 3 . . . 72 S CA . 16635 1 951 . 1 1 71 71 SER CB C 13 63.289 0.035 . 1 7 . . . 72 S CB . 16635 1 952 . 1 1 71 71 SER N N 15 114.850 0.017 . 1 4 . . . 72 S N . 16635 1 953 . 1 1 72 72 ASP H H 1 8.125 0.002 . 1 4 . . . 73 D H . 16635 1 954 . 1 1 72 72 ASP HA H 1 4.439 0.003 . 1 4 . . . 73 D HA . 16635 1 955 . 1 1 72 72 ASP HB2 H 1 2.871 0.007 . 2 4 . . . 73 D HB2 . 16635 1 956 . 1 1 72 72 ASP HB3 H 1 2.575 0.006 . 2 4 . . . 73 D HB3 . 16635 1 957 . 1 1 72 72 ASP C C 13 176.012 0.000 . 1 1 . . . 73 D C . 16635 1 958 . 1 1 72 72 ASP CA C 13 54.089 0.040 . 1 3 . . . 73 D CA . 16635 1 959 . 1 1 72 72 ASP CB C 13 39.529 0.037 . 1 5 . . . 73 D CB . 16635 1 960 . 1 1 72 72 ASP N N 15 119.733 0.038 . 1 4 . . . 73 D N . 16635 1 961 . 1 1 73 73 GLN H H 1 8.166 0.002 . 1 4 . . . 74 Q H . 16635 1 962 . 1 1 73 73 GLN HA H 1 3.991 0.001 . 1 3 . . . 74 Q HA . 16635 1 963 . 1 1 73 73 GLN HB2 H 1 2.435 0.005 . 2 5 . . . 74 Q QB . 16635 1 964 . 1 1 73 73 GLN HB3 H 1 2.435 0.005 . 2 5 . . . 74 Q QB . 16635 1 965 . 1 1 73 73 GLN HE21 H 1 7.506 0.000 . 2 1 . . . 74 Q HE21 . 16635 1 966 . 1 1 73 73 GLN HE22 H 1 6.789 0.000 . 2 1 . . . 74 Q HE22 . 16635 1 967 . 1 1 73 73 GLN HG2 H 1 2.335 0.001 . 2 4 . . . 74 Q QG . 16635 1 968 . 1 1 73 73 GLN HG3 H 1 2.335 0.001 . 2 4 . . . 74 Q QG . 16635 1 969 . 1 1 73 73 GLN C C 13 175.526 0.000 . 1 1 . . . 74 Q C . 16635 1 970 . 1 1 73 73 GLN CA C 13 57.293 0.001 . 1 2 . . . 74 Q CA . 16635 1 971 . 1 1 73 73 GLN CB C 13 26.737 0.077 . 1 4 . . . 74 Q CB . 16635 1 972 . 1 1 73 73 GLN CG C 13 34.514 0.016 . 1 2 . . . 74 Q CG . 16635 1 973 . 1 1 73 73 GLN N N 15 110.862 0.004 . 1 4 . . . 74 Q N . 16635 1 974 . 1 1 73 73 GLN NE2 N 15 112.832 0.006 . 1 2 . . . 74 Q NE2 . 16635 1 975 . 1 1 74 74 THR H H 1 7.224 0.001 . 1 4 . . . 75 T H . 16635 1 976 . 1 1 74 74 THR HA H 1 4.638 0.002 . 1 3 . . . 75 T HA . 16635 1 977 . 1 1 74 74 THR HB H 1 3.881 0.005 . 1 6 . . . 75 T HB . 16635 1 978 . 1 1 74 74 THR HG21 H 1 1.064 0.005 . . 5 . . . 75 T HG2 . 16635 1 979 . 1 1 74 74 THR HG22 H 1 1.064 0.005 . . 5 . . . 75 T HG2 . 16635 1 980 . 1 1 74 74 THR HG23 H 1 1.064 0.005 . . 5 . . . 75 T HG2 . 16635 1 981 . 1 1 74 74 THR C C 13 172.624 0.000 . 1 1 . . . 75 T C . 16635 1 982 . 1 1 74 74 THR CA C 13 61.802 0.024 . 1 3 . . . 75 T CA . 16635 1 983 . 1 1 74 74 THR CB C 13 71.451 0.026 . 1 4 . . . 75 T CB . 16635 1 984 . 1 1 74 74 THR CG2 C 13 22.020 0.000 . 1 2 . . . 75 T CG2 . 16635 1 985 . 1 1 74 74 THR N N 15 110.291 0.016 . 1 4 . . . 75 T N . 16635 1 986 . 1 1 75 75 TRP H H 1 8.588 0.001 . 1 4 . . . 76 W H . 16635 1 987 . 1 1 75 75 TRP HA H 1 5.218 0.003 . 1 4 . . . 76 W HA . 16635 1 988 . 1 1 75 75 TRP HB2 H 1 3.323 0.001 . 2 4 . . . 76 W QB . 16635 1 989 . 1 1 75 75 TRP HB3 H 1 3.323 0.001 . 2 4 . . . 76 W QB . 16635 1 990 . 1 1 75 75 TRP HD1 H 1 7.181 0.003 . 1 2 . . . 76 W HD1 . 16635 1 991 . 1 1 75 75 TRP HE1 H 1 9.885 0.003 . 1 5 . . . 76 W HE1 . 16635 1 992 . 1 1 75 75 TRP HE3 H 1 7.347 0.002 . 1 3 . . . 76 W HE3 . 16635 1 993 . 1 1 75 75 TRP HH2 H 1 6.709 0.001 . 1 3 . . . 76 W HH2 . 16635 1 994 . 1 1 75 75 TRP HZ2 H 1 6.983 0.006 . 1 5 . . . 76 W HZ2 . 16635 1 995 . 1 1 75 75 TRP HZ3 H 1 6.741 0.004 . 1 4 . . . 76 W HZ3 . 16635 1 996 . 1 1 75 75 TRP C C 13 174.701 0.000 . 1 1 . . . 76 W C . 16635 1 997 . 1 1 75 75 TRP CA C 13 57.036 0.086 . 1 3 . . . 76 W CA . 16635 1 998 . 1 1 75 75 TRP CB C 13 33.551 0.075 . 1 3 . . . 76 W CB . 16635 1 999 . 1 1 75 75 TRP CD1 C 13 124.337 0.002 . 1 2 . . . 76 W CD1 . 16635 1 1000 . 1 1 75 75 TRP CE3 C 13 119.676 0.098 . 1 2 . . . 76 W CE3 . 16635 1 1001 . 1 1 75 75 TRP CH2 C 13 124.451 0.029 . 1 2 . . . 76 W CH2 . 16635 1 1002 . 1 1 75 75 TRP CZ2 C 13 113.898 0.009 . 1 3 . . . 76 W CZ2 . 16635 1 1003 . 1 1 75 75 TRP CZ3 C 13 122.334 0.018 . 1 3 . . . 76 W CZ3 . 16635 1 1004 . 1 1 75 75 TRP N N 15 121.650 0.027 . 1 4 . . . 76 W N . 16635 1 1005 . 1 1 75 75 TRP NE1 N 15 126.499 0.000 . 1 1 . . . 76 W NE1 . 16635 1 1006 . 1 1 76 76 GLY H H 1 8.558 0.002 . 1 3 . . . 77 G H . 16635 1 1007 . 1 1 76 76 GLY HA2 H 1 3.821 0.005 . 2 4 . . . 77 G HA2 . 16635 1 1008 . 1 1 76 76 GLY HA3 H 1 3.434 0.003 . 2 4 . . . 77 G HA3 . 16635 1 1009 . 1 1 76 76 GLY C C 13 171.649 0.000 . 1 1 . . . 77 G C . 16635 1 1010 . 1 1 76 76 GLY CA C 13 44.290 0.053 . 1 5 . . . 77 G CA . 16635 1 1011 . 1 1 76 76 GLY N N 15 104.321 0.007 . 1 3 . . . 77 G N . 16635 1 1012 . 1 1 77 77 LEU H H 1 4.067 0.004 . 1 2 . . . 78 L H . 16635 1 1013 . 1 1 77 77 LEU HA H 1 4.398 0.002 . 1 12 . . . 78 L HA . 16635 1 1014 . 1 1 77 77 LEU HB2 H 1 0.754 0.002 . 2 8 . . . 78 L HB2 . 16635 1 1015 . 1 1 77 77 LEU HB3 H 1 -0.739 0.002 . 2 6 . . . 78 L HB3 . 16635 1 1016 . 1 1 77 77 LEU HD11 H 1 0.481 0.003 . 2 11 . . . 78 L MD1 . 16635 1 1017 . 1 1 77 77 LEU HD12 H 1 0.481 0.003 . 2 11 . . . 78 L MD1 . 16635 1 1018 . 1 1 77 77 LEU HD13 H 1 0.481 0.003 . 2 11 . . . 78 L MD1 . 16635 1 1019 . 1 1 77 77 LEU HD21 H 1 0.177 0.004 . 2 11 . . . 78 L MD2 . 16635 1 1020 . 1 1 77 77 LEU HD22 H 1 0.177 0.004 . 2 11 . . . 78 L MD2 . 16635 1 1021 . 1 1 77 77 LEU HD23 H 1 0.177 0.004 . 2 11 . . . 78 L MD2 . 16635 1 1022 . 1 1 77 77 LEU HG H 1 0.352 0.002 . 1 8 . . . 78 L HG . 16635 1 1023 . 1 1 77 77 LEU C C 13 176.837 0.000 . 1 1 . . . 78 L C . 16635 1 1024 . 1 1 77 77 LEU CA C 13 52.481 0.009 . 1 6 . . . 78 L CA . 16635 1 1025 . 1 1 77 77 LEU CB C 13 40.134 0.025 . 1 9 . . . 78 L CB . 16635 1 1026 . 1 1 77 77 LEU CD1 C 13 24.498 0.023 . 2 5 . . . 78 L CD1 . 16635 1 1027 . 1 1 77 77 LEU CD2 C 13 23.974 0.013 . 2 5 . . . 78 L CD2 . 16635 1 1028 . 1 1 77 77 LEU CG C 13 25.990 0.004 . 1 3 . . . 78 L CG . 16635 1 1029 . 1 1 77 77 LEU N N 15 115.960 0.005 . 1 2 . . . 78 L N . 16635 1 1030 . 1 1 78 78 ARG H H 1 8.112 0.002 . 1 4 . . . 79 R H . 16635 1 1031 . 1 1 78 78 ARG HA H 1 3.793 0.001 . 1 7 . . . 79 R HA . 16635 1 1032 . 1 1 78 78 ARG HB2 H 1 1.667 0.002 . 2 4 . . . 79 R HB2 . 16635 1 1033 . 1 1 78 78 ARG HB3 H 1 1.463 0.001 . 2 3 . . . 79 R HB3 . 16635 1 1034 . 1 1 78 78 ARG HD2 H 1 3.266 0.003 . 2 10 . . . 79 R HD2 . 16635 1 1035 . 1 1 78 78 ARG HD3 H 1 3.156 0.005 . 2 11 . . . 79 R HD3 . 16635 1 1036 . 1 1 78 78 ARG HE H 1 7.098 0.000 . 1 2 . . . 79 R HE . 16635 1 1037 . 1 1 78 78 ARG HG2 H 1 1.626 0.002 . 2 5 . . . 79 R HG2 . 16635 1 1038 . 1 1 78 78 ARG HG3 H 1 1.474 0.003 . 2 4 . . . 79 R HG3 . 16635 1 1039 . 1 1 78 78 ARG C C 13 178.120 0.000 . 1 1 . . . 79 R C . 16635 1 1040 . 1 1 78 78 ARG CA C 13 59.164 0.029 . 1 3 . . . 79 R CA . 16635 1 1041 . 1 1 78 78 ARG CB C 13 30.191 0.043 . 1 6 . . . 79 R CB . 16635 1 1042 . 1 1 78 78 ARG CD C 13 43.173 0.019 . 1 10 . . . 79 R CD . 16635 1 1043 . 1 1 78 78 ARG CG C 13 27.850 0.065 . 1 7 . . . 79 R CG . 16635 1 1044 . 1 1 78 78 ARG N N 15 122.556 0.011 . 1 4 . . . 79 R N . 16635 1 1045 . 1 1 78 78 ARG NE N 15 83.672 0.012 . 1 2 . . . 79 R NE . 16635 1 1046 . 1 1 79 79 SER H H 1 8.165 0.002 . 1 4 . . . 80 S H . 16635 1 1047 . 1 1 79 79 SER HA H 1 4.118 0.001 . 1 5 . . . 80 S HA . 16635 1 1048 . 1 1 79 79 SER HB2 H 1 3.985 0.004 . 2 5 . . . 80 S HB2 . 16635 1 1049 . 1 1 79 79 SER HB3 H 1 3.716 0.006 . 2 4 . . . 80 S HB3 . 16635 1 1050 . 1 1 79 79 SER C C 13 175.474 0.000 . 1 1 . . . 80 S C . 16635 1 1051 . 1 1 79 79 SER CA C 13 59.880 0.012 . 1 4 . . . 80 S CA . 16635 1 1052 . 1 1 79 79 SER CB C 13 62.472 0.026 . 1 5 . . . 80 S CB . 16635 1 1053 . 1 1 79 79 SER N N 15 111.914 0.013 . 1 4 . . . 80 S N . 16635 1 1054 . 1 1 80 80 TRP H H 1 7.214 0.002 . 1 4 . . . 81 W H . 16635 1 1055 . 1 1 80 80 TRP HA H 1 4.576 0.000 . 1 3 . . . 81 W HA . 16635 1 1056 . 1 1 80 80 TRP HB2 H 1 2.955 0.009 . 2 3 . . . 81 W HB2 . 16635 1 1057 . 1 1 80 80 TRP HB3 H 1 2.538 0.003 . 2 4 . . . 81 W HB3 . 16635 1 1058 . 1 1 80 80 TRP HD1 H 1 6.903 0.001 . 1 3 . . . 81 W HD1 . 16635 1 1059 . 1 1 80 80 TRP HE1 H 1 10.458 0.015 . 1 3 . . . 81 W HE1 . 16635 1 1060 . 1 1 80 80 TRP HE3 H 1 7.683 0.002 . 1 3 . . . 81 W HE3 . 16635 1 1061 . 1 1 80 80 TRP HH2 H 1 7.218 0.001 . 1 3 . . . 81 W HH2 . 16635 1 1062 . 1 1 80 80 TRP HZ2 H 1 7.575 0.006 . 1 5 . . . 81 W HZ2 . 16635 1 1063 . 1 1 80 80 TRP HZ3 H 1 6.742 0.001 . 1 3 . . . 81 W HZ3 . 16635 1 1064 . 1 1 80 80 TRP C C 13 175.829 0.000 . 1 1 . . . 81 W C . 16635 1 1065 . 1 1 80 80 TRP CA C 13 55.358 0.038 . 1 2 . . . 81 W CA . 16635 1 1066 . 1 1 80 80 TRP CB C 13 28.685 0.051 . 1 5 . . . 81 W CB . 16635 1 1067 . 1 1 80 80 TRP CD1 C 13 124.806 0.037 . 1 3 . . . 81 W CD1 . 16635 1 1068 . 1 1 80 80 TRP CE3 C 13 120.372 0.062 . 1 2 . . . 81 W CE3 . 16635 1 1069 . 1 1 80 80 TRP CH2 C 13 124.694 0.006 . 1 2 . . . 81 W CH2 . 16635 1 1070 . 1 1 80 80 TRP CZ2 C 13 115.126 0.012 . 1 3 . . . 81 W CZ2 . 16635 1 1071 . 1 1 80 80 TRP CZ3 C 13 120.544 0.000 . 1 2 . . . 81 W CZ3 . 16635 1 1072 . 1 1 80 80 TRP N N 15 120.941 0.018 . 1 4 . . . 81 W N . 16635 1 1073 . 1 1 80 80 TRP NE1 N 15 129.723 0.000 . 1 1 . . . 81 W NE1 . 16635 1 1074 . 1 1 81 81 TYR H H 1 7.613 0.001 . 1 4 . . . 82 Y H . 16635 1 1075 . 1 1 81 81 TYR HA H 1 4.931 0.002 . 1 4 . . . 82 Y HA . 16635 1 1076 . 1 1 81 81 TYR HB2 H 1 3.024 0.001 . 2 4 . . . 82 Y HB2 . 16635 1 1077 . 1 1 81 81 TYR HB3 H 1 2.632 0.002 . 2 4 . . . 82 Y HB3 . 16635 1 1078 . 1 1 81 81 TYR HD1 H 1 7.119 0.006 . 3 3 . . . 82 Y QD . 16635 1 1079 . 1 1 81 81 TYR HD2 H 1 7.119 0.006 . 3 3 . . . 82 Y QD . 16635 1 1080 . 1 1 81 81 TYR HE1 H 1 6.791 0.000 . 3 3 . . . 82 Y QE . 16635 1 1081 . 1 1 81 81 TYR HE2 H 1 6.791 0.000 . 3 3 . . . 82 Y QE . 16635 1 1082 . 1 1 81 81 TYR CA C 13 55.411 0.013 . 1 3 . . . 82 Y CA . 16635 1 1083 . 1 1 81 81 TYR CB C 13 39.126 0.019 . 1 5 . . . 82 Y CB . 16635 1 1084 . 1 1 81 81 TYR CD1 C 13 134.472 0.015 . . 2 . . . 82 Y CD# . 16635 1 1085 . 1 1 81 81 TYR CD2 C 13 134.472 0.015 . . 2 . . . 82 Y CD# . 16635 1 1086 . 1 1 81 81 TYR CE1 C 13 118.208 0.014 . . 2 . . . 82 Y CE# . 16635 1 1087 . 1 1 81 81 TYR CE2 C 13 118.208 0.014 . . 2 . . . 82 Y CE# . 16635 1 1088 . 1 1 81 81 TYR N N 15 117.670 0.014 . 1 4 . . . 82 Y N . 16635 1 1089 . 1 1 82 82 PRO HA H 1 4.416 0.002 . 1 11 . . . 83 P HA . 16635 1 1090 . 1 1 82 82 PRO HB2 H 1 2.179 0.001 . 2 7 . . . 83 P HB2 . 16635 1 1091 . 1 1 82 82 PRO HB3 H 1 1.836 0.006 . 2 6 . . . 83 P HB3 . 16635 1 1092 . 1 1 82 82 PRO HD2 H 1 3.641 0.001 . 2 9 . . . 83 P QD . 16635 1 1093 . 1 1 82 82 PRO HD3 H 1 3.641 0.001 . 2 9 . . . 83 P QD . 16635 1 1094 . 1 1 82 82 PRO HG2 H 1 1.952 0.003 . 2 6 . . . 83 P HG2 . 16635 1 1095 . 1 1 82 82 PRO HG3 H 1 1.870 0.001 . 2 3 . . . 83 P HG3 . 16635 1 1096 . 1 1 82 82 PRO C C 13 177.108 0.000 . 1 1 . . . 83 P C . 16635 1 1097 . 1 1 82 82 PRO CA C 13 63.391 0.041 . 1 6 . . . 83 P CA . 16635 1 1098 . 1 1 82 82 PRO CB C 13 31.801 0.047 . 1 7 . . . 83 P CB . 16635 1 1099 . 1 1 82 82 PRO CD C 13 50.472 0.021 . 1 4 . . . 83 P CD . 16635 1 1100 . 1 1 82 82 PRO CG C 13 27.253 0.000 . 1 6 . . . 83 P CG . 16635 1 1101 . 1 1 83 83 TYR H H 1 8.269 0.002 . 1 6 . . . 84 Y H . 16635 1 1102 . 1 1 83 83 TYR HA H 1 4.558 0.001 . 1 4 . . . 84 Y HA . 16635 1 1103 . 1 1 83 83 TYR HB2 H 1 3.090 0.001 . 2 4 . . . 84 Y HB2 . 16635 1 1104 . 1 1 83 83 TYR HB3 H 1 2.934 0.003 . 2 4 . . . 84 Y HB3 . 16635 1 1105 . 1 1 83 83 TYR HD1 H 1 7.114 0.002 . 3 3 . . . 84 Y QD . 16635 1 1106 . 1 1 83 83 TYR HD2 H 1 7.114 0.002 . 3 3 . . . 84 Y QD . 16635 1 1107 . 1 1 83 83 TYR HE1 H 1 6.771 0.012 . 3 3 . . . 84 Y QE . 16635 1 1108 . 1 1 83 83 TYR HE2 H 1 6.771 0.012 . 3 3 . . . 84 Y QE . 16635 1 1109 . 1 1 83 83 TYR C C 13 175.660 0.000 . 1 1 . . . 84 Y C . 16635 1 1110 . 1 1 83 83 TYR CA C 13 57.857 0.026 . 1 3 . . . 84 Y CA . 16635 1 1111 . 1 1 83 83 TYR CB C 13 38.619 0.035 . 1 5 . . . 84 Y CB . 16635 1 1112 . 1 1 83 83 TYR CD1 C 13 133.330 0.009 . . 2 . . . 84 Y CD# . 16635 1 1113 . 1 1 83 83 TYR CD2 C 13 133.330 0.009 . . 2 . . . 84 Y CD# . 16635 1 1114 . 1 1 83 83 TYR CE1 C 13 118.717 0.083 . . 2 . . . 84 Y CE# . 16635 1 1115 . 1 1 83 83 TYR CE2 C 13 118.717 0.083 . . 2 . . . 84 Y CE# . 16635 1 1116 . 1 1 83 83 TYR N N 15 120.399 0.056 . 1 6 . . . 84 Y N . 16635 1 1117 . 1 1 84 84 ASP H H 1 8.242 0.002 . 1 4 . . . 85 D H . 16635 1 1118 . 1 1 84 84 ASP HA H 1 4.548 0.002 . 1 2 . . . 85 D HA . 16635 1 1119 . 1 1 84 84 ASP HB2 H 1 2.609 0.001 . 2 4 . . . 85 D QB . 16635 1 1120 . 1 1 84 84 ASP HB3 H 1 2.609 0.001 . 2 4 . . . 85 D QB . 16635 1 1121 . 1 1 84 84 ASP C C 13 175.839 0.000 . 1 1 . . . 85 D C . 16635 1 1122 . 1 1 84 84 ASP CA C 13 54.496 0.059 . 1 2 . . . 85 D CA . 16635 1 1123 . 1 1 84 84 ASP CB C 13 41.055 0.055 . 1 3 . . . 85 D CB . 16635 1 1124 . 1 1 84 84 ASP N N 15 121.020 0.008 . 1 4 . . . 85 D N . 16635 1 1125 . 1 1 85 85 GLN H H 1 8.102 0.002 . 1 4 . . . 86 Q H . 16635 1 1126 . 1 1 85 85 GLN HA H 1 4.257 0.004 . 1 7 . . . 86 Q HA . 16635 1 1127 . 1 1 85 85 GLN HB2 H 1 2.095 0.004 . 2 6 . . . 86 Q HB2 . 16635 1 1128 . 1 1 85 85 GLN HB3 H 1 1.960 0.003 . 2 5 . . . 86 Q HB3 . 16635 1 1129 . 1 1 85 85 GLN HE21 H 1 7.561 0.000 . 2 1 . . . 86 Q HE21 . 16635 1 1130 . 1 1 85 85 GLN HE22 H 1 6.761 0.000 . 2 1 . . . 86 Q HE22 . 16635 1 1131 . 1 1 85 85 GLN HG2 H 1 2.326 0.002 . 2 6 . . . 86 Q HG2 . 16635 1 1132 . 1 1 85 85 GLN HG3 H 1 2.283 0.001 . 2 7 . . . 86 Q HG3 . 16635 1 1133 . 1 1 85 85 GLN C C 13 175.756 0.000 . 1 1 . . . 86 Q C . 16635 1 1134 . 1 1 85 85 GLN CA C 13 55.985 0.041 . 1 4 . . . 86 Q CA . 16635 1 1135 . 1 1 85 85 GLN CB C 13 29.364 0.023 . 1 5 . . . 86 Q CB . 16635 1 1136 . 1 1 85 85 GLN CG C 13 33.994 0.000 . 1 7 . . . 86 Q CG . 16635 1 1137 . 1 1 85 85 GLN N N 15 119.880 0.015 . 1 4 . . . 86 Q N . 16635 1 1138 . 1 1 85 85 GLN NE2 N 15 112.560 0.028 . 1 2 . . . 86 Q NE2 . 16635 1 1139 . 1 1 86 86 LEU H H 1 8.220 0.002 . 1 4 . . . 87 L H . 16635 1 1140 . 1 1 86 86 LEU HA H 1 4.299 0.001 . 1 9 . . . 87 L HA . 16635 1 1141 . 1 1 86 86 LEU HB2 H 1 1.607 0.004 . 2 4 . . . 87 L HB2 . 16635 1 1142 . 1 1 86 86 LEU HB3 H 1 1.534 0.002 . 2 4 . . . 87 L HB3 . 16635 1 1143 . 1 1 86 86 LEU HD11 H 1 0.856 0.002 . 2 7 . . . 87 L MD1 . 16635 1 1144 . 1 1 86 86 LEU HD12 H 1 0.856 0.002 . 2 7 . . . 87 L MD1 . 16635 1 1145 . 1 1 86 86 LEU HD13 H 1 0.856 0.002 . 2 7 . . . 87 L MD1 . 16635 1 1146 . 1 1 86 86 LEU HD21 H 1 0.798 0.003 . 2 8 . . . 87 L MD2 . 16635 1 1147 . 1 1 86 86 LEU HD22 H 1 0.798 0.003 . 2 8 . . . 87 L MD2 . 16635 1 1148 . 1 1 86 86 LEU HD23 H 1 0.798 0.003 . 2 8 . . . 87 L MD2 . 16635 1 1149 . 1 1 86 86 LEU HG H 1 1.571 0.004 . 1 4 . . . 87 L HG . 16635 1 1150 . 1 1 86 86 LEU C C 13 177.181 0.000 . 1 1 . . . 87 L C . 16635 1 1151 . 1 1 86 86 LEU CA C 13 55.267 0.016 . 1 5 . . . 87 L CA . 16635 1 1152 . 1 1 86 86 LEU CB C 13 42.365 0.023 . 1 7 . . . 87 L CB . 16635 1 1153 . 1 1 86 86 LEU CD1 C 13 24.941 0.006 . 2 2 . . . 87 L CD1 . 16635 1 1154 . 1 1 86 86 LEU CD2 C 13 23.417 0.044 . 2 3 . . . 87 L CD2 . 16635 1 1155 . 1 1 86 86 LEU CG C 13 26.982 0.007 . 1 3 . . . 87 L CG . 16635 1 1156 . 1 1 86 86 LEU N N 15 122.941 0.023 . 1 4 . . . 87 L N . 16635 1 1157 . 1 1 87 87 ASP H H 1 8.270 0.001 . 1 4 . . . 88 D H . 16635 1 1158 . 1 1 87 87 ASP HA H 1 4.565 0.003 . 1 2 . . . 88 D HA . 16635 1 1159 . 1 1 87 87 ASP HB2 H 1 2.691 0.009 . 2 4 . . . 88 D QB . 16635 1 1160 . 1 1 87 87 ASP HB3 H 1 2.691 0.009 . 2 4 . . . 88 D QB . 16635 1 1161 . 1 1 87 87 ASP C C 13 176.443 0.000 . 1 1 . . . 88 D C . 16635 1 1162 . 1 1 87 87 ASP CA C 13 54.486 0.014 . 1 2 . . . 88 D CA . 16635 1 1163 . 1 1 87 87 ASP CB C 13 41.032 0.020 . 1 3 . . . 88 D CB . 16635 1 1164 . 1 1 87 87 ASP N N 15 121.223 0.025 . 1 4 . . . 88 D N . 16635 1 1165 . 1 1 88 88 GLU H H 1 8.392 0.002 . 1 4 . . . 89 E H . 16635 1 1166 . 1 1 88 88 GLU HA H 1 4.163 0.000 . 1 6 . . . 89 E HA . 16635 1 1167 . 1 1 88 88 GLU HB2 H 1 2.039 0.001 . 2 3 . . . 89 E HB2 . 16635 1 1168 . 1 1 88 88 GLU HB3 H 1 1.942 0.000 . 2 3 . . . 89 E HB3 . 16635 1 1169 . 1 1 88 88 GLU HG2 H 1 2.236 0.003 . 2 4 . . . 89 E QG . 16635 1 1170 . 1 1 88 88 GLU HG3 H 1 2.236 0.003 . 2 4 . . . 89 E QG . 16635 1 1171 . 1 1 88 88 GLU C C 13 177.185 0.000 . 1 1 . . . 89 E C . 16635 1 1172 . 1 1 88 88 GLU CA C 13 57.516 0.012 . 1 4 . . . 89 E CA . 16635 1 1173 . 1 1 88 88 GLU CB C 13 30.183 0.025 . 1 3 . . . 89 E CB . 16635 1 1174 . 1 1 88 88 GLU CG C 13 36.369 0.018 . 1 3 . . . 89 E CG . 16635 1 1175 . 1 1 88 88 GLU N N 15 121.262 0.021 . 1 4 . . . 89 E N . 16635 1 1176 . 1 1 89 89 GLU H H 1 8.439 0.001 . 1 4 . . . 90 E H . 16635 1 1177 . 1 1 89 89 GLU HA H 1 4.176 0.005 . 1 3 . . . 90 E HA . 16635 1 1178 . 1 1 89 89 GLU HB2 H 1 2.019 0.001 . 2 2 . . . 90 E QB . 16635 1 1179 . 1 1 89 89 GLU HB3 H 1 2.019 0.001 . 2 2 . . . 90 E QB . 16635 1 1180 . 1 1 89 89 GLU HG2 H 1 2.249 0.007 . 2 4 . . . 90 E QG . 16635 1 1181 . 1 1 89 89 GLU HG3 H 1 2.249 0.007 . 2 4 . . . 90 E QG . 16635 1 1182 . 1 1 89 89 GLU C C 13 177.378 0.000 . 1 1 . . . 90 E C . 16635 1 1183 . 1 1 89 89 GLU CA C 13 57.608 0.002 . 1 3 . . . 90 E CA . 16635 1 1184 . 1 1 89 89 GLU CB C 13 30.007 0.007 . 1 2 . . . 90 E CB . 16635 1 1185 . 1 1 89 89 GLU CG C 13 36.600 0.000 . 1 2 . . . 90 E CG . 16635 1 1186 . 1 1 89 89 GLU N N 15 120.588 0.027 . 1 4 . . . 90 E N . 16635 1 1187 . 1 1 90 90 THR H H 1 8.044 0.002 . 1 4 . . . 91 T H . 16635 1 1188 . 1 1 90 90 THR HA H 1 4.206 0.003 . 1 4 . . . 91 T HA . 16635 1 1189 . 1 1 90 90 THR HB H 1 4.202 0.007 . 1 3 . . . 91 T HB . 16635 1 1190 . 1 1 90 90 THR HG21 H 1 1.177 0.003 . . 5 . . . 91 T HG2 . 16635 1 1191 . 1 1 90 90 THR HG22 H 1 1.177 0.003 . . 5 . . . 91 T HG2 . 16635 1 1192 . 1 1 90 90 THR HG23 H 1 1.177 0.003 . . 5 . . . 91 T HG2 . 16635 1 1193 . 1 1 90 90 THR C C 13 175.053 0.000 . 1 1 . . . 91 T C . 16635 1 1194 . 1 1 90 90 THR CA C 13 62.911 0.059 . 1 3 . . . 91 T CA . 16635 1 1195 . 1 1 90 90 THR CB C 13 69.477 0.059 . 1 3 . . . 91 T CB . 16635 1 1196 . 1 1 90 90 THR CG2 C 13 21.734 0.017 . 1 2 . . . 91 T CG2 . 16635 1 1197 . 1 1 90 90 THR N N 15 114.166 0.018 . 1 4 . . . 91 T N . 16635 1 1198 . 1 1 91 91 GLN H H 1 8.234 0.002 . 1 4 . . . 92 Q H . 16635 1 1199 . 1 1 91 91 GLN HA H 1 4.257 0.002 . 1 6 . . . 92 Q HA . 16635 1 1200 . 1 1 91 91 GLN HB2 H 1 2.097 0.002 . 2 3 . . . 92 Q HB2 . 16635 1 1201 . 1 1 91 91 GLN HB3 H 1 1.958 0.004 . 2 3 . . . 92 Q HB3 . 16635 1 1202 . 1 1 91 91 GLN HE21 H 1 7.463 0.000 . 2 1 . . . 92 Q HE21 . 16635 1 1203 . 1 1 91 91 GLN HE22 H 1 6.796 0.000 . 2 1 . . . 92 Q HE22 . 16635 1 1204 . 1 1 91 91 GLN HG2 H 1 2.302 0.004 . 2 6 . . . 92 Q QG . 16635 1 1205 . 1 1 91 91 GLN HG3 H 1 2.302 0.004 . 2 6 . . . 92 Q QG . 16635 1 1206 . 1 1 91 91 GLN C C 13 176.258 0.000 . 1 1 . . . 92 Q C . 16635 1 1207 . 1 1 91 91 GLN CA C 13 56.360 0.038 . 1 4 . . . 92 Q CA . 16635 1 1208 . 1 1 91 91 GLN CB C 13 28.709 0.092 . 1 3 . . . 92 Q CB . 16635 1 1209 . 1 1 91 91 GLN CG C 13 33.851 0.004 . 1 4 . . . 92 Q CG . 16635 1 1210 . 1 1 91 91 GLN N N 15 121.628 0.036 . 1 4 . . . 92 Q N . 16635 1 1211 . 1 1 91 91 GLN NE2 N 15 112.435 0.006 . 1 2 . . . 92 Q NE2 . 16635 1 1212 . 1 1 92 92 LEU H H 1 8.065 0.002 . 1 4 . . . 93 L H . 16635 1 1213 . 1 1 92 92 LEU HA H 1 4.198 0.001 . 1 8 . . . 93 L HA . 16635 1 1214 . 1 1 92 92 LEU HB2 H 1 1.569 0.000 . 2 1 . . . 93 L HB2 . 16635 1 1215 . 1 1 92 92 LEU HB3 H 1 1.472 0.001 . 2 4 . . . 93 L HB3 . 16635 1 1216 . 1 1 92 92 LEU HD11 H 1 0.859 0.001 . 2 3 . . . 93 L MD1 . 16635 1 1217 . 1 1 92 92 LEU HD12 H 1 0.859 0.001 . 2 3 . . . 93 L MD1 . 16635 1 1218 . 1 1 92 92 LEU HD13 H 1 0.859 0.001 . 2 3 . . . 93 L MD1 . 16635 1 1219 . 1 1 92 92 LEU HD21 H 1 0.805 0.001 . 2 3 . . . 93 L MD2 . 16635 1 1220 . 1 1 92 92 LEU HD22 H 1 0.805 0.001 . 2 3 . . . 93 L MD2 . 16635 1 1221 . 1 1 92 92 LEU HD23 H 1 0.805 0.001 . 2 3 . . . 93 L MD2 . 16635 1 1222 . 1 1 92 92 LEU HG H 1 1.575 0.000 . 1 1 . . . 93 L HG . 16635 1 1223 . 1 1 92 92 LEU C C 13 177.627 0.000 . 1 1 . . . 93 L C . 16635 1 1224 . 1 1 92 92 LEU CA C 13 55.765 0.011 . 1 4 . . . 93 L CA . 16635 1 1225 . 1 1 92 92 LEU CB C 13 42.346 0.029 . 1 5 . . . 93 L CB . 16635 1 1226 . 1 1 92 92 LEU CD1 C 13 24.892 0.000 . 2 1 . . . 93 L CD1 . 16635 1 1227 . 1 1 92 92 LEU CD2 C 13 23.366 0.000 . 2 1 . . . 93 L CD2 . 16635 1 1228 . 1 1 92 92 LEU CG C 13 26.930 0.000 . 1 1 . . . 93 L CG . 16635 1 1229 . 1 1 92 92 LEU N N 15 121.990 0.019 . 1 4 . . . 93 L N . 16635 1 1230 . 1 1 93 93 GLU H H 1 8.206 0.002 . 1 4 . . . 94 E H . 16635 1 1231 . 1 1 93 93 GLU HA H 1 4.119 0.002 . 1 5 . . . 94 E HA . 16635 1 1232 . 1 1 93 93 GLU HB2 H 1 1.884 0.005 . 2 7 . . . 94 E QB . 16635 1 1233 . 1 1 93 93 GLU HB3 H 1 1.884 0.005 . 2 7 . . . 94 E QB . 16635 1 1234 . 1 1 93 93 GLU HG2 H 1 2.172 0.002 . 2 4 . . . 94 E HG2 . 16635 1 1235 . 1 1 93 93 GLU HG3 H 1 2.110 0.002 . 2 4 . . . 94 E HG3 . 16635 1 1236 . 1 1 93 93 GLU C C 13 176.502 0.000 . 1 1 . . . 94 E C . 16635 1 1237 . 1 1 93 93 GLU CA C 13 56.981 0.022 . 1 4 . . . 94 E CA . 16635 1 1238 . 1 1 93 93 GLU CB C 13 30.065 0.037 . 1 4 . . . 94 E CB . 16635 1 1239 . 1 1 93 93 GLU CG C 13 36.083 0.000 . 1 4 . . . 94 E CG . 16635 1 1240 . 1 1 93 93 GLU N N 15 120.008 0.018 . 1 4 . . . 94 E N . 16635 1 1241 . 1 1 94 94 HIS H H 1 8.189 0.002 . 1 4 . . . 95 H H . 16635 1 1242 . 1 1 94 94 HIS HA H 1 4.745 0.001 . 1 2 . . . 95 H HA . 16635 1 1243 . 1 1 94 94 HIS HB2 H 1 3.057 0.002 . 2 3 . . . 95 H HB2 . 16635 1 1244 . 1 1 94 94 HIS HB3 H 1 2.994 0.001 . 2 3 . . . 95 H HB3 . 16635 1 1245 . 1 1 94 94 HIS HD2 H 1 6.983 0.004 . 1 4 . . . 95 H HD2 . 16635 1 1246 . 1 1 94 94 HIS HE1 H 1 8.058 0.001 . 1 2 . . . 95 H HE1 . 16635 1 1247 . 1 1 94 94 HIS C C 13 173.908 0.000 . 1 1 . . . 95 H C . 16635 1 1248 . 1 1 94 94 HIS CA C 13 55.939 0.032 . 1 3 . . . 95 H CA . 16635 1 1249 . 1 1 94 94 HIS CB C 13 29.650 0.168 . 1 3 . . . 95 H CB . 16635 1 1250 . 1 1 94 94 HIS CD2 C 13 119.704 0.031 . 1 3 . . . 95 H CD2 . 16635 1 1251 . 1 1 94 94 HIS CE1 C 13 137.604 0.000 . 1 1 . . . 95 H CE1 . 16635 1 1252 . 1 1 94 94 HIS N N 15 118.737 0.058 . 1 4 . . . 95 H N . 16635 1 1253 . 1 1 95 95 HIS H H 1 8.115 0.002 . 1 4 . . . 96 H H . 16635 1 1254 . 1 1 95 95 HIS HA H 1 4.405 0.003 . 1 4 . . . 96 H HA . 16635 1 1255 . 1 1 95 95 HIS HB2 H 1 3.169 0.003 . 2 2 . . . 96 H HB2 . 16635 1 1256 . 1 1 95 95 HIS HB3 H 1 3.045 0.001 . 2 2 . . . 96 H HB3 . 16635 1 1257 . 1 1 95 95 HIS HD2 H 1 7.081 0.004 . 1 3 . . . 96 H HD2 . 16635 1 1258 . 1 1 95 95 HIS HE1 H 1 8.262 0.000 . 1 1 . . . 96 H HE1 . 16635 1 1259 . 1 1 95 95 HIS C C 13 176.162 0.000 . 1 1 . . . 96 H C . 16635 1 1260 . 1 1 95 95 HIS CA C 13 57.265 0.011 . 1 3 . . . 96 H CA . 16635 1 1261 . 1 1 95 95 HIS CB C 13 30.208 0.074 . 1 3 . . . 96 H CB . 16635 1 1262 . 1 1 95 95 HIS CD2 C 13 120.304 0.031 . 1 2 . . . 96 H CD2 . 16635 1 1263 . 1 1 95 95 HIS CE1 C 13 136.646 0.000 . 1 1 . . . 96 H CE1 . 16635 1 1264 . 1 1 95 95 HIS N N 15 125.289 0.020 . 1 4 . . . 96 H N . 16635 1 1265 . 1 1 96 96 HIS H H 1 8.787 0.003 . 1 4 . . . 97 H H . 16635 1 1266 . 1 1 96 96 HIS HD2 H 1 7.087 0.002 . 1 3 . . . 97 H HD2 . 16635 1 1267 . 1 1 96 96 HIS HE1 H 1 8.140 0.000 . 1 1 . . . 97 H HE1 . 16635 1 1268 . 1 1 96 96 HIS CA C 13 57.140 0.000 . 1 1 . . . 97 H CA . 16635 1 1269 . 1 1 96 96 HIS CB C 13 30.191 0.000 . 1 1 . . . 97 H CB . 16635 1 1270 . 1 1 96 96 HIS CD2 C 13 119.816 0.049 . 1 2 . . . 97 H CD2 . 16635 1 1271 . 1 1 96 96 HIS CE1 C 13 137.422 0.000 . 1 1 . . . 97 H CE1 . 16635 1 1272 . 1 1 96 96 HIS N N 15 114.149 0.038 . 1 4 . . . 97 H N . 16635 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constant_list_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constant_list_1 _Coupling_constant_list.Entry_ID 16635 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 600.153 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 8 '3D HNHA' . . . 16635 1 stop_ loop_ _Coupling_constant_software.Software_ID _Coupling_constant_software.Software_label _Coupling_constant_software.Method_ID _Coupling_constant_software.Method_label _Coupling_constant_software.Entry_ID _Coupling_constant_software.Coupling_constant_list_ID 3 $SPARKY . . 16635 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 3 3 LYS H H 1 . . 1 1 3 3 LYS HA H 1 . 4.3 . . . . . . 4 LYS H . 4 LYS HA . 16635 1 2 3JHNHA . 1 1 4 4 GLN H H 1 . . 1 1 4 4 GLN HA H 1 . 4.9 . . . . . . 5 GLN H . 5 GLN HA . 16635 1 3 3JHNHA . 1 1 5 5 TYR H H 1 . . 1 1 5 5 TYR HA H 1 . 6.1 . . . . . . 6 TYR H . 6 TYR HA . 16635 1 4 3JHNHA . 1 1 6 6 SER H H 1 . . 1 1 6 6 SER HA H 1 . 7.1 . . . . . . 7 SER H . 7 SER HA . 16635 1 5 3JHNHA . 1 1 7 7 GLN H H 1 . . 1 1 7 7 GLN HA H 1 . 6.5 . . . . . . 8 GLN H . 8 GLN HA . 16635 1 6 3JHNHA . 1 1 8 8 GLU H H 1 . . 1 1 8 8 GLU HA H 1 . 3.2 . . . . . . 9 GLU H . 9 GLU HA . 16635 1 7 3JHNHA . 1 1 9 9 GLU H H 1 . . 1 1 9 9 GLU HA H 1 . 4.3 . . . . . . 10 GLU H . 10 GLU HA . 16635 1 8 3JHNHA . 1 1 10 10 LEU H H 1 . . 1 1 10 10 LEU HA H 1 . 5.7 . . . . . . 11 LEU H . 11 LEU HA . 16635 1 9 3JHNHA . 1 1 11 11 LYS H H 1 . . 1 1 11 11 LYS HA H 1 . 3.9 . . . . . . 12 LYS H . 12 LYS HA . 16635 1 10 3JHNHA . 1 1 12 12 GLU H H 1 . . 1 1 12 12 GLU HA H 1 . 4.2 . . . . . . 13 GLU H . 13 GLU HA . 16635 1 11 3JHNHA . 1 1 13 13 MET H H 1 . . 1 1 13 13 MET HA H 1 . 8.6 . . . . . . 14 MET H . 14 MET HA . 16635 1 12 3JHNHA . 1 1 14 14 ALA H H 1 . . 1 1 14 14 ALA HA H 1 . 6.5 . . . . . . 15 ALA H . 15 ALA HA . 16635 1 13 3JHNHA . 1 1 15 15 LEU H H 1 . . 1 1 15 15 LEU HA H 1 . 4.7 . . . . . . 16 LEU H . 16 LEU HA . 16635 1 14 3JHNHA . 1 1 16 16 VAL H H 1 . . 1 1 16 16 VAL HA H 1 . 3.0 . . . . . . 17 VAL H . 17 VAL HA . 16635 1 15 3JHNHA . 1 1 17 17 GLU H H 1 . . 1 1 17 17 GLU HA H 1 . 3.1 . . . . . . 18 GLU H . 18 GLU HA . 16635 1 16 3JHNHA . 1 1 18 18 ILE H H 1 . . 1 1 18 18 ILE HA H 1 . 7.6 . . . . . . 19 ILE H . 19 ILE HA . 16635 1 17 3JHNHA . 1 1 19 19 ALA H H 1 . . 1 1 19 19 ALA HA H 1 . 6.1 . . . . . . 20 ALA H . 20 ALA HA . 16635 1 18 3JHNHA . 1 1 20 20 HIS H H 1 . . 1 1 20 20 HIS HA H 1 . 3.1 . . . . . . 21 HIS H . 21 HIS HA . 16635 1 19 3JHNHA . 1 1 21 21 GLU H H 1 . . 1 1 21 21 GLU HA H 1 . 2.8 . . . . . . 22 GLU H . 22 GLU HA . 16635 1 20 3JHNHA . 1 1 22 22 LEU H H 1 . . 1 1 22 22 LEU HA H 1 . 5.7 . . . . . . 23 LEU H . 23 LEU HA . 16635 1 21 3JHNHA . 1 1 23 23 PHE H H 1 . . 1 1 23 23 PHE HA H 1 . 4.5 . . . . . . 24 PHE H . 24 PHE HA . 16635 1 22 3JHNHA . 1 1 24 24 GLU H H 1 . . 1 1 24 24 GLU HA H 1 . 4.3 . . . . . . 25 GLU H . 25 GLU HA . 16635 1 23 3JHNHA . 1 1 25 25 GLU H H 1 . . 1 1 25 25 GLU HA H 1 . 4.5 . . . . . . 26 GLU H . 26 GLU HA . 16635 1 24 3JHNHA . 1 1 26 26 HIS H H 1 . . 1 1 26 26 HIS HA H 1 . 6.5 . . . . . . 27 HIS H . 27 HIS HA . 16635 1 25 3JHNHA . 1 1 27 27 LYS H H 1 . . 1 1 27 27 LYS HA H 1 . 6.7 . . . . . . 28 LYS H . 28 LYS HA . 16635 1 26 3JHNHA . 1 1 28 28 LYS H H 1 . . 1 1 28 28 LYS HA H 1 . 5.7 . . . . . . 29 LYS H . 29 LYS HA . 16635 1 27 3JHNHA . 1 1 30 30 VAL H H 1 . . 1 1 30 30 VAL HA H 1 . 7.7 . . . . . . 30 VAL H . 30 VAL HA . 16635 1 28 3JHNHA . 1 1 32 32 PHE H H 1 . . 1 1 32 32 PHE HA H 1 . 8.9 . . . . . . 32 PHE H . 32 PHE HA . 16635 1 29 3JHNHA . 1 1 33 33 GLN H H 1 . . 1 1 33 33 GLN HA H 1 . 2.0 . . . . . . 34 GLN H . 34 GLN HA . 16635 1 30 3JHNHA . 1 1 34 34 GLU H H 1 . . 1 1 34 34 GLU HA H 1 . 3.3 . . . . . . 35 GLU H . 35 GLU HA . 16635 1 31 3JHNHA . 1 1 35 35 LEU H H 1 . . 1 1 35 35 LEU HA H 1 . 7.7 . . . . . . 36 LEU H . 36 LEU HA . 16635 1 32 3JHNHA . 1 1 36 36 LEU H H 1 . . 1 1 36 36 LEU HA H 1 . 4.3 . . . . . . 37 LEU H . 37 LEU HA . 16635 1 33 3JHNHA . 1 1 37 37 ASN H H 1 . . 1 1 37 37 ASN HA H 1 . 3.8 . . . . . . 38 ASN H . 38 ASN HA . 16635 1 34 3JHNHA . 1 1 38 38 GLU H H 1 . . 1 1 38 38 GLU HA H 1 . 3.9 . . . . . . 39 GLU H . 39 GLU HA . 16635 1 35 3JHNHA . 1 1 39 39 ILE H H 1 . . 1 1 39 39 ILE HA H 1 . 4.6 . . . . . . 40 ILE H . 40 ILE HA . 16635 1 36 3JHNHA . 1 1 40 40 ALA H H 1 . . 1 1 40 40 ALA HA H 1 . 3.4 . . . . . . 41 ALA H . 41 ALA HA . 16635 1 37 3JHNHA . 1 1 41 41 SER H H 1 . . 1 1 41 41 SER HA H 1 . 3.1 . . . . . . 42 SER H . 42 SER HA . 16635 1 38 3JHNHA . 1 1 42 42 LEU H H 1 . . 1 1 42 42 LEU HA H 1 . 4.1 . . . . . . 43 LEU H . 43 LEU HA . 16635 1 39 3JHNHA . 1 1 43 43 LEU H H 1 . . 1 1 43 43 LEU HA H 1 . 4.7 . . . . . . 44 LEU H . 44 LEU HA . 16635 1 40 3JHNHA . 1 1 45 45 VAL H H 1 . . 1 1 45 45 VAL HA H 1 . 5.4 . . . . . . 45 VAL H . 45 VAL HA . 16635 1 41 3JHNHA . 1 1 46 46 LYS H H 1 . . 1 1 46 46 LYS HA H 1 . 9.4 . . . . . . 47 LYS H . 47 LYS HA . 16635 1 42 3JHNHA . 1 1 47 47 LYS H H 1 . . 1 1 47 47 LYS HA H 1 . 4.2 . . . . . . 48 LYS H . 48 LYS HA . 16635 1 43 3JHNHA . 1 1 48 48 GLU H H 1 . . 1 1 48 48 GLU HA H 1 . 2.0 . . . . . . 49 GLU H . 49 GLU HA . 16635 1 44 3JHNHA . 1 1 49 49 GLU H H 1 . . 1 1 49 49 GLU HA H 1 . 3.4 . . . . . . 50 GLU H . 50 GLU HA . 16635 1 45 3JHNHA . 1 1 50 50 LEU H H 1 . . 1 1 50 50 LEU HA H 1 . 7.2 . . . . . . 51 LEU H . 51 LEU HA . 16635 1 46 3JHNHA . 1 1 52 52 ASP H H 1 . . 1 1 52 52 ASP HA H 1 . 6.6 . . . . . . 52 ASP H . 52 ASP HA . 16635 1 47 3JHNHA . 1 1 53 53 ARG H H 1 . . 1 1 53 53 ARG HA H 1 . 5.0 . . . . . . 54 ARG H . 54 ARG HA . 16635 1 48 3JHNHA . 1 1 54 54 ILE H H 1 . . 1 1 54 54 ILE HA H 1 . 6.5 . . . . . . 55 ILE H . 55 ILE HA . 16635 1 49 3JHNHA . 1 1 55 55 ALA H H 1 . . 1 1 55 55 ALA HA H 1 . 4.4 . . . . . . 56 ALA H . 56 ALA HA . 16635 1 50 3JHNHA . 1 1 56 56 GLN H H 1 . . 1 1 56 56 GLN HA H 1 . 4.0 . . . . . . 57 GLN H . 57 GLN HA . 16635 1 51 3JHNHA . 1 1 57 57 PHE H H 1 . . 1 1 57 57 PHE HA H 1 . 3.8 . . . . . . 58 PHE H . 58 PHE HA . 16635 1 52 3JHNHA . 1 1 58 58 TYR H H 1 . . 1 1 58 58 TYR HA H 1 . 4.3 . . . . . . 59 TYR H . 59 TYR HA . 16635 1 53 3JHNHA . 1 1 59 59 THR H H 1 . . 1 1 59 59 THR HA H 1 . 3.6 . . . . . . 60 THR H . 60 THR HA . 16635 1 54 3JHNHA . 1 1 60 60 ASP H H 1 . . 1 1 60 60 ASP HA H 1 . 3.6 . . . . . . 61 ASP H . 61 ASP HA . 16635 1 55 3JHNHA . 1 1 61 61 LEU H H 1 . . 1 1 61 61 LEU HA H 1 . 3.2 . . . . . . 62 LEU H . 62 LEU HA . 16635 1 56 3JHNHA . 1 1 62 62 ASN H H 1 . . 1 1 62 62 ASN HA H 1 . 3.2 . . . . . . 63 ASN H . 63 ASN HA . 16635 1 57 3JHNHA . 1 1 63 63 ILE H H 1 . . 1 1 63 63 ILE HA H 1 . 6.2 . . . . . . 64 ILE H . 64 ILE HA . 16635 1 58 3JHNHA . 1 1 64 64 ASP H H 1 . . 1 1 64 64 ASP HA H 1 . 8.4 . . . . . . 65 ASP H . 65 ASP HA . 16635 1 59 3JHNHA . 1 1 66 66 ARG H H 1 . . 1 1 66 66 ARG HA H 1 . 4.6 . . . . . . 66 ARG H . 66 ARG HA . 16635 1 60 3JHNHA . 1 1 67 67 PHE H H 1 . . 1 1 67 67 PHE HA H 1 . 6.5 . . . . . . 68 PHE H . 68 PHE HA . 16635 1 61 3JHNHA . 1 1 68 68 LEU H H 1 . . 1 1 68 68 LEU HA H 1 . 9.6 . . . . . . 69 LEU H . 69 LEU HA . 16635 1 62 3JHNHA . 1 1 69 69 ALA H H 1 . . 1 1 69 69 ALA HA H 1 . 6.6 . . . . . . 70 ALA H . 70 ALA HA . 16635 1 63 3JHNHA . 1 1 70 70 LEU H H 1 . . 1 1 70 70 LEU HA H 1 . 7.5 . . . . . . 71 LEU H . 71 LEU HA . 16635 1 64 3JHNHA . 1 1 71 71 SER H H 1 . . 1 1 71 71 SER HA H 1 . 8.2 . . . . . . 72 SER H . 72 SER HA . 16635 1 65 3JHNHA . 1 1 72 72 ASP H H 1 . . 1 1 72 72 ASP HA H 1 . 4.0 . . . . . . 73 ASP H . 73 ASP HA . 16635 1 66 3JHNHA . 1 1 73 73 GLN H H 1 . . 1 1 73 73 GLN HA H 1 . 3.9 . . . . . . 74 GLN H . 74 GLN HA . 16635 1 67 3JHNHA . 1 1 74 74 THR H H 1 . . 1 1 74 74 THR HA H 1 . 7.6 . . . . . . 75 THR H . 75 THR HA . 16635 1 68 3JHNHA . 1 1 75 75 TRP H H 1 . . 1 1 75 75 TRP HA H 1 . 8.9 . . . . . . 76 TRP H . 76 TRP HA . 16635 1 69 3JHNHA . 1 1 78 78 ARG H H 1 . . 1 1 78 78 ARG HA H 1 . 8.3 . . . . . . 77 ARG H . 77 ARG HA . 16635 1 70 3JHNHA . 1 1 79 79 SER H H 1 . . 1 1 79 79 SER HA H 1 . 2.5 . . . . . . 80 SER H . 80 SER HA . 16635 1 71 3JHNHA . 1 1 80 80 TRP H H 1 . . 1 1 80 80 TRP HA H 1 . 3.6 . . . . . . 81 TRP H . 81 TRP HA . 16635 1 72 3JHNHA . 1 1 81 81 TYR H H 1 . . 1 1 81 81 TYR HA H 1 . 5.8 . . . . . . 82 TYR H . 82 TYR HA . 16635 1 73 3JHNHA . 1 1 83 83 TYR H H 1 . . 1 1 83 83 TYR HA H 1 . 9.6 . . . . . . 83 TYR H . 83 TYR HA . 16635 1 74 3JHNHA . 1 1 84 84 ASP H H 1 . . 1 1 84 84 ASP HA H 1 . 6.3 . . . . . . 85 ASP H . 85 ASP HA . 16635 1 75 3JHNHA . 1 1 85 85 GLN H H 1 . . 1 1 85 85 GLN HA H 1 . 6.7 . . . . . . 86 GLN H . 86 GLN HA . 16635 1 76 3JHNHA . 1 1 86 86 LEU H H 1 . . 1 1 86 86 LEU HA H 1 . 6.8 . . . . . . 87 LEU H . 87 LEU HA . 16635 1 77 3JHNHA . 1 1 87 87 ASP H H 1 . . 1 1 87 87 ASP HA H 1 . 7.2 . . . . . . 88 ASP H . 88 ASP HA . 16635 1 78 3JHNHA . 1 1 88 88 GLU H H 1 . . 1 1 88 88 GLU HA H 1 . 6.4 . . . . . . 89 GLU H . 89 GLU HA . 16635 1 79 3JHNHA . 1 1 89 89 GLU H H 1 . . 1 1 89 89 GLU HA H 1 . 5.8 . . . . . . 90 GLU H . 90 GLU HA . 16635 1 80 3JHNHA . 1 1 90 90 THR H H 1 . . 1 1 90 90 THR HA H 1 . 5.7 . . . . . . 91 THR H . 91 THR HA . 16635 1 81 3JHNHA . 1 1 91 91 GLN H H 1 . . 1 1 91 91 GLN HA H 1 . 6.5 . . . . . . 92 GLN H . 92 GLN HA . 16635 1 82 3JHNHA . 1 1 92 92 LEU H H 1 . . 1 1 92 92 LEU HA H 1 . 5.9 . . . . . . 93 LEU H . 93 LEU HA . 16635 1 83 3JHNHA . 1 1 93 93 GLU H H 1 . . 1 1 93 93 GLU HA H 1 . 6.8 . . . . . . 94 GLU H . 94 GLU HA . 16635 1 84 3JHNHA . 1 1 94 94 HIS H H 1 . . 1 1 94 94 HIS HA H 1 . 6.0 . . . . . . 95 HIS H . 95 HIS HA . 16635 1 85 3JHNHA . 1 1 95 95 HIS H H 1 . . 1 1 95 95 HIS HA H 1 . 6.4 . . . . . . 96 HIS H . 96 HIS HA . 16635 1 86 3JHNHA . 1 1 96 96 HIS H H 1 . . 1 1 96 96 HIS HA H 1 . 7.8 . . . . . . 97 HIS H . 97 HIS HA . 16635 1 87 3JHNHA . 1 1 97 97 HIS H H 1 . . 1 1 97 97 HIS HA H 1 . 6.2 . . . . . . 98 HIS H . 98 HIS HA . 16635 1 stop_ save_ ############################### # Chemical shift anisotropy # ############################### save_chem_shift_anisotropy_list_1 _Chem_shift_anisotropy.Sf_category chem_shift_anisotropy _Chem_shift_anisotropy.Sf_framecode chem_shift_anisotropy_list_1 _Chem_shift_anisotropy.Entry_ID 16635 _Chem_shift_anisotropy.ID 1 _Chem_shift_anisotropy.Sample_condition_list_ID 1 _Chem_shift_anisotropy.Sample_condition_list_label $sample_conditions_1 _Chem_shift_anisotropy.Spectrometer_frequency_1H 600 _Chem_shift_anisotropy.Val_units ppb _Chem_shift_anisotropy.Details . _Chem_shift_anisotropy.Text_data_format text _Chem_shift_anisotropy.Text_data ; loop_ _Atom_chem_shift.ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Comp_index_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.Details 1 ? 1 GLY C C ? 74.67 5.0 ? 1 ? ? 2 ? 5 TYR C C ? 107.73 5.0 ? 1 ? ? 3 ? 6 SER C C ? -53.93 5.0 ? 1 ? ? 4 ? 7 GLN C C ? -34.52 5.0 ? 1 ? ? 5 ? 8 GLU C C ? 19.94 5.0 ? 1 ? ? 6 ? 10 LEU C C ? 95.27 5.0 ? 1 ? ? 7 ? 13 MET C C ? 28.95 5.0 ? 1 ? ? 8 ? 17 GLU C C ? -72.61 5.0 ? 1 ? ? 9 ? 19 ALA C C ? -67.12 5.0 ? 1 ? ? 10 ? 20 HIS C C ? 123.70 5.0 ? 1 ? ? 11 ? 21 GLU C C ? -132.31 5.0 ? 1 ? ? 12 ? 24 GLU C C ? -18.42 5.0 ? 1 ? ? 13 ? 25 GLU C C ? -56.12 5.0 ? 1 ? ? 14 ? 31 PRO C C ? 49.62 5.0 ? 1 ? ? 15 ? 33 GLN C C ? 81.96 5.0 ? 1 ? ? 16 ? 37 ASN C C ? 79.24 5.0 ? 1 ? ? 17 ? 38 GLU C C ? -38.49 5.0 ? 1 ? ? 18 ? 41 SER C C ? 23.12 5.0 ? 1 ? ? 19 ? 42 LEU C C ? 42.60 5.0 ? 1 ? ? 20 ? 43 LEU C C ? 13.65 5.0 ? 1 ? ? 21 ? 48 GLU C C ? -3.78 5.0 ? 1 ? ? 22 ? 49 GLU C C ? 68.64 5.0 ? 1 ? ? 23 ? 52 ASP C C ? -3.25 5.0 ? 1 ? ? 24 ? 61 LEU C C ? 102.96 5.0 ? 1 ? ? 25 ? 62 ASN C C ? 32.66 5.0 ? 1 ? ? 26 ? 66 ARG C C ? -146.95 5.0 ? 1 ? ? 27 ? 67 PHE C C ? 33.33 5.0 ? 1 ? ? 28 ? 68 LEU C C ? -123.56 5.0 ? 1 ? ? 29 ? 73 GLN C C ? 62.01 5.0 ? 1 ? ? 30 ? 75 TRP C C ? -107.66 5.0 ? 1 ? ? 31 ? 83 TYR C C ? 57.04 5.0 ? 1 ? ? 32 ? 86 LEU C C ? 11.00 5.0 ? 1 ? ? 33 ? 91 GLN C C ? -15.44 5.0 ? 1 ? ? stop_ ; loop_ _CS_anisotropy_experiment.Experiment_ID _CS_anisotropy_experiment.Experiment_name _CS_anisotropy_experiment.Sample_ID _CS_anisotropy_experiment.Sample_label _CS_anisotropy_experiment.Sample_state _CS_anisotropy_experiment.Entry_ID _CS_anisotropy_experiment.Chem_shift_anisotropy_ID 21 '2D 13C-detected CON' 1 $sample_1 isotropic 16635 1 22 '2D 13C-detected CON' 2 $sample_2 anisotropic 16635 1 stop_ loop_ _CS_anisotropy_software.Software_ID _CS_anisotropy_software.Software_label _CS_anisotropy_software.Method_ID _CS_anisotropy_software.Method_label _CS_anisotropy_software.Entry_ID _CS_anisotropy_software.Chem_shift_anisotropy_ID 3 $SPARKY . . 16635 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 16635 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600.153 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 13 '2D 1H-15N IPAP' . . . 16635 1 14 '2D HN[C]-S3E' . . . 16635 1 15 '2D (H)CACO-IPAP' . . . 16635 1 16 '2D 13C-coupled 1H-13C HSQC' . . . 16635 1 23 '2D 1H-15N IPAP' . . . 16635 1 24 '2D HN[C]-S3E' . . . 16635 1 25 '2D (H)CACO-IPAP' . . . 16635 1 26 '2D 13C-coupled 1H-13C HSQC' . . . 16635 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 3 $SPARKY . . 16635 1 7 $S3EPY . . 16635 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 6 6 SER N N 15 . . 1 1 6 6 SER H H 1 . -21.105 . . 1.2 . . . . 7 SER N . 7 SER H 16635 1 2 DNH . 1 1 7 7 GLN N N 15 . . 1 1 7 7 GLN H H 1 . -4.379 . . 0.6 . . . . 8 GLN N . 8 GLN H 16635 1 3 DNH . 1 1 8 8 GLU N N 15 . . 1 1 8 8 GLU H H 1 . -5.474 . . 0.6 . . . . 9 GLU N . 9 GLU H 16635 1 4 DNH . 1 1 9 9 GLU N N 15 . . 1 1 9 9 GLU H H 1 . -21.410 . . 1.2 . . . . 10 GLU N . 10 GLU H 16635 1 5 DNH . 1 1 11 11 LYS N N 15 . . 1 1 11 11 LYS H H 1 . 7.541 . . 0.6 . . . . 12 LYS N . 12 LYS H 16635 1 6 DNH . 1 1 12 12 GLU N N 15 . . 1 1 12 12 GLU H H 1 . -8.697 . . 1.2 . . . . 13 GLU N . 13 GLU H 16635 1 7 DNH . 1 1 14 14 ALA N N 15 . . 1 1 14 14 ALA H H 1 . -12.955 . . 0.6 . . . . 15 ALA N . 15 ALA H 16635 1 8 DNH . 1 1 15 15 LEU N N 15 . . 1 1 15 15 LEU H H 1 . -6.751 . . 0.6 . . . . 16 LEU N . 16 LEU H 16635 1 9 DNH . 1 1 16 16 VAL N N 15 . . 1 1 16 16 VAL H H 1 . -15.570 . . 1.2 . . . . 17 VAL N . 17 VAL H 16635 1 10 DNH . 1 1 17 17 GLU N N 15 . . 1 1 17 17 GLU H H 1 . 21.469 . . 0.6 . . . . 18 GLU N . 18 GLU H 16635 1 11 DNH . 1 1 18 18 ILE N N 15 . . 1 1 18 18 ILE H H 1 . -4.866 . . 1.2 . . . . 19 ILE N . 19 ILE H 16635 1 12 DNH . 1 1 19 19 ALA N N 15 . . 1 1 19 19 ALA H H 1 . -12.407 . . 2.0 . . . . 20 ALA N . 20 ALA H 16635 1 13 DNH . 1 1 20 20 HIS N N 15 . . 1 1 20 20 HIS H H 1 . -0.304 . . 1.2 . . . . 21 HIS N . 21 HIS H 16635 1 14 DNH . 1 1 21 21 GLU N N 15 . . 1 1 21 21 GLU H H 1 . 9.306 . . 2.0 . . . . 22 GLU N . 22 GLU H 16635 1 15 DNH . 1 1 23 23 PHE N N 15 . . 1 1 23 23 PHE H H 1 . -15.691 . . 2.0 . . . . 24 PHE N . 24 PHE H 16635 1 16 DNH . 1 1 24 24 GLU N N 15 . . 1 1 24 24 GLU H H 1 . 5.580 . . 1.2 . . . . 25 GLU N . 25 GLU H 16635 1 17 DNH . 1 1 26 26 HIS N N 15 . . 1 1 26 26 HIS H H 1 . -17.577 . . 1.2 . . . . 27 HIS N . 27 HIS H 16635 1 18 DNH . 1 1 28 28 LYS N N 15 . . 1 1 28 28 LYS H H 1 . 30.106 . . 1.2 . . . . 29 LYS N . 29 LYS H 16635 1 19 DNH . 1 1 30 30 VAL N N 15 . . 1 1 30 30 VAL H H 1 . -28.950 . . 1.2 . . . . 31 VAL N . 31 VAL H 16635 1 20 DNH . 1 1 32 32 PHE N N 15 . . 1 1 32 32 PHE H H 1 . 23.720 . . 1.2 . . . . 33 PHE N . 33 PHE H 16635 1 21 DNH . 1 1 33 33 GLN N N 15 . . 1 1 33 33 GLN H H 1 . 22.442 . . 0.6 . . . . 34 GLN N . 34 GLN H 16635 1 22 DNH . 1 1 34 34 GLU N N 15 . . 1 1 34 34 GLU H H 1 . 32.357 . . 1.2 . . . . 35 GLU N . 35 GLU H 16635 1 23 DNH . 1 1 36 36 LEU N N 15 . . 1 1 36 36 LEU H H 1 . 20.679 . . 2.0 . . . . 37 LEU N . 37 LEU H 16635 1 24 DNH . 1 1 38 38 GLU N N 15 . . 1 1 38 38 GLU H H 1 . 31.383 . . 1.2 . . . . 39 GLU N . 39 GLU H 16635 1 25 DNH . 1 1 41 41 SER N N 15 . . 1 1 41 41 SER H H 1 . 34.971 . . 1.2 . . . . 42 SER N . 42 SER H 16635 1 26 DNH . 1 1 42 42 LEU N N 15 . . 1 1 42 42 LEU H H 1 . 25.605 . . 1.2 . . . . 43 LEU N . 43 LEU H 16635 1 27 DNH . 1 1 45 45 VAL N N 15 . . 1 1 45 45 VAL H H 1 . 30.593 . . 2.0 . . . . 46 VAL N . 46 VAL H 16635 1 28 DNH . 1 1 47 47 LYS N N 15 . . 1 1 47 47 LYS H H 1 . -19.584 . . 1.2 . . . . 48 LYS N . 48 LYS H 16635 1 29 DNH . 1 1 48 48 GLU N N 15 . . 1 1 48 48 GLU H H 1 . -22.868 . . 1.2 . . . . 49 GLU N . 49 GLU H 16635 1 30 DNH . 1 1 49 49 GLU N N 15 . . 1 1 49 49 GLU H H 1 . -17.881 . . 1.2 . . . . 50 GLU N . 50 GLU H 16635 1 31 DNH . 1 1 51 51 GLY N N 15 . . 1 1 51 51 GLY H H 1 . -13.623 . . 1.2 . . . . 52 GLY N . 52 GLY H 16635 1 32 DNH . 1 1 52 52 ASP N N 15 . . 1 1 52 52 ASP H H 1 . 23.416 . . 1.2 . . . . 53 ASP N . 53 ASP H 16635 1 33 DNH . 1 1 53 53 ARG N N 15 . . 1 1 53 53 ARG H H 1 . 1.885 . . 1.2 . . . . 54 ARG N . 54 ARG H 16635 1 34 DNH . 1 1 58 58 TYR N N 15 . . 1 1 58 58 TYR H H 1 . 13.989 . . 2.0 . . . . 59 TYR N . 59 TYR H 16635 1 35 DNH . 1 1 60 60 ASP N N 15 . . 1 1 60 60 ASP H H 1 . 19.037 . . 1.2 . . . . 61 ASP N . 61 ASP H 16635 1 36 DNH . 1 1 69 69 ALA N N 15 . . 1 1 69 69 ALA H H 1 . -19.280 . . 1.2 . . . . 70 ALA N . 70 ALA H 16635 1 37 DNH . 1 1 70 70 LEU N N 15 . . 1 1 70 70 LEU H H 1 . 24.632 . . 1.2 . . . . 71 LEU N . 71 LEU H 16635 1 38 DNH . 1 1 73 73 GLN N N 15 . . 1 1 73 73 GLN H H 1 . 0.430 . . 1.2 . . . . 74 GLN N . 74 GLN H 16635 1 39 DNH . 1 1 74 74 THR N N 15 . . 1 1 74 74 THR H H 1 . 32.782 . . 1.2 . . . . 75 THR N . 75 THR H 16635 1 40 DNH . 1 1 76 76 GLY N N 15 . . 1 1 76 76 GLY H H 1 . -14.961 . . 1.2 . . . . 77 GLY N . 77 GLY H 16635 1 41 DNH . 1 1 77 77 LEU N N 15 . . 1 1 77 77 LEU H H 1 . -21.774 . . 1.2 . . . . 78 LEU N . 78 LEU H 16635 1 42 DNC . 1 1 5 5 TYR N N 15 . . 1 1 4 4 GLN C C 13 . -11.459 . . 0.2 . . . . 6 TYR N . 6 GLN C 16635 1 43 DNC . 1 1 7 7 GLN N N 15 . . 1 1 6 6 SER C C 13 . 0.132 . . 0.2 . . . . 8 GLN N . 8 TYR C 16635 1 44 DNC . 1 1 8 8 GLU N N 15 . . 1 1 7 7 GLN C C 13 . 10.606 . . 0.2 . . . . 9 GLU N . 9 GLN C 16635 1 45 DNC . 1 1 9 9 GLU N N 15 . . 1 1 8 8 GLU C C 13 . 7.909 . . 0.2 . . . . 10 GLU N . 10 GLU C 16635 1 46 DNC . 1 1 11 11 LYS N N 15 . . 1 1 10 10 LEU C C 13 . 28.766 . . 0.2 . . . . 12 LYS N . 12 LEU C 16635 1 47 DNC . 1 1 12 12 GLU N N 15 . . 1 1 11 11 LYS C C 13 . -11.119 . . 0.2 . . . . 13 GLU N . 13 LYS C 16635 1 48 DNC . 1 1 15 15 LEU N N 15 . . 1 1 14 14 ALA C C 13 . -12.915 . . 0.2 . . . . 16 LEU N . 16 ALA C 16635 1 49 DNC . 1 1 16 16 VAL N N 15 . . 1 1 15 15 LEU C C 13 . -9.547 . . 0.2 . . . . 17 VAL N . 17 LEU C 16635 1 50 DNC . 1 1 17 17 GLU N N 15 . . 1 1 16 16 VAL C C 13 . 16.828 . . 0.2 . . . . 18 GLU N . 18 VAL C 16635 1 51 DNC . 1 1 19 19 ALA N N 15 . . 1 1 18 18 ILE C C 13 . 2.424 . . 0.2 . . . . 20 ALA N . 20 ILE C 16635 1 52 DNC . 1 1 20 20 HIS N N 15 . . 1 1 19 19 ALA C C 13 . -21.759 . . 0.2 . . . . 21 HIS N . 21 ALA C 16635 1 53 DNC . 1 1 23 23 PHE N N 15 . . 1 1 22 22 LEU C C 13 . 1.688 . . 0.2 . . . . 24 PHE N . 24 LEU C 16635 1 54 DNC . 1 1 24 24 GLU N N 15 . . 1 1 23 23 PHE C C 13 . -1.026 . . 0.2 . . . . 25 GLU N . 25 PHE C 16635 1 55 DNC . 1 1 25 25 GLU N N 15 . . 1 1 24 24 GLU C C 13 . 14.379 . . 0.2 . . . . 26 GLU N . 26 GLU C 16635 1 56 DNC . 1 1 27 27 LYS N N 15 . . 1 1 26 26 HIS C C 13 . -12.162 . . 0.2 . . . . 28 LYS N . 28 HIS C 16635 1 57 DNC . 1 1 28 28 LYS N N 15 . . 1 1 27 27 LYS C C 13 . -6.279 . . 0.2 . . . . 29 LYS N . 29 LYS C 16635 1 58 DNC . 1 1 30 30 VAL N N 15 . . 1 1 29 29 PRO C C 13 . 2.714 . . 0.2 . . . . 31 VAL N . 31 PRO C 16635 1 59 DNC . 1 1 32 32 PHE N N 15 . . 1 1 31 31 PRO C C 13 . -17.225 . . 0.2 . . . . 33 PHE N . 33 PRO C 16635 1 60 DNC . 1 1 33 33 GLN N N 15 . . 1 1 32 32 PHE C C 13 . -19.500 . . 0.2 . . . . 34 GLN N . 34 PHE C 16635 1 61 DNC . 1 1 34 34 GLU N N 15 . . 1 1 33 33 GLN C C 13 . 6.412 . . 0.2 . . . . 35 GLU N . 35 GLN C 16635 1 62 DNC . 1 1 35 35 LEU N N 15 . . 1 1 34 34 GLU C C 13 . -6.329 . . 0.2 . . . . 36 LEU N . 36 GLU C 16635 1 63 DNC . 1 1 38 38 GLU N N 15 . . 1 1 37 37 ASN C C 13 . 7.694 . . 0.2 . . . . 39 GLU N . 39 ASN C 16635 1 64 DNC . 1 1 41 41 SER N N 15 . . 1 1 40 40 ALA C C 13 . -6.453 . . 0.2 . . . . 42 SER N . 42 ALA C 16635 1 65 DNC . 1 1 42 42 LEU N N 15 . . 1 1 41 41 SER C C 13 . -3.822 . . 0.2 . . . . 43 LEU N . 43 SER C 16635 1 66 DNC . 1 1 44 44 GLY N N 15 . . 1 1 43 43 LEU C C 13 . -23.902 . . 0.2 . . . . 45 GLY N . 45 LEU C 16635 1 67 DNC . 1 1 48 48 GLU N N 15 . . 1 1 47 47 LYS C C 13 . -2.275 . . 0.2 . . . . 49 GLU N . 49 LYS C 16635 1 68 DNC . 1 1 49 49 GLU N N 15 . . 1 1 48 48 GLU C C 13 . 3.301 . . 0.2 . . . . 50 GLU N . 50 GLU C 16635 1 69 DNC . 1 1 51 51 GLY N N 15 . . 1 1 50 50 LEU C C 13 . -10.979 . . 0.2 . . . . 52 GLY N . 52 LEU C 16635 1 70 DNC . 1 1 53 53 ARG N N 15 . . 1 1 52 52 ASP C C 13 . -6.337 . . 0.2 . . . . 54 ARG N . 54 ASP C 16635 1 71 DNC . 1 1 54 54 ILE N N 15 . . 1 1 53 53 ARG C C 13 . -12.278 . . 0.2 . . . . 55 ILE N . 55 ARG C 16635 1 72 DNC . 1 1 57 57 PHE N N 15 . . 1 1 56 56 GLN C C 13 . -21.089 . . 0.2 . . . . 58 PHE N . 58 GLN C 16635 1 73 DNC . 1 1 58 58 TYR N N 15 . . 1 1 57 57 PHE C C 13 . -6.834 . . 0.2 . . . . 59 TYR N . 59 PHE C 16635 1 74 DNC . 1 1 69 69 ALA N N 15 . . 1 1 68 68 LEU C C 13 . -8.836 . . 0.2 . . . . 70 ALA N . 70 LEU C 16635 1 75 DNC . 1 1 70 70 LEU N N 15 . . 1 1 69 69 ALA C C 13 . -28.857 . . 0.2 . . . . 71 LEU N . 71 ALA C 16635 1 76 DNC . 1 1 73 73 GLN N N 15 . . 1 1 72 72 ASP C C 13 . -18.052 . . 0.2 . . . . 74 GLN N . 74 ASP C 16635 1 77 DNC . 1 1 74 74 THR N N 15 . . 1 1 73 73 GLN C C 13 . -1.456 . . 0.2 . . . . 75 THR N . 75 GLN C 16635 1 78 DNC . 1 1 75 75 TRP N N 15 . . 1 1 74 74 THR C C 13 . 7.661 . . 0.2 . . . . 76 TRP N . 76 THR C 16635 1 79 DNC . 1 1 76 76 GLY N N 15 . . 1 1 75 75 TRP C C 13 . -10.193 . . 0.2 . . . . 77 GLY N . 77 TRP C 16635 1 80 DNC . 1 1 77 77 LEU N N 15 . . 1 1 76 76 GLY C C 13 . -2.548 . . 0.2 . . . . 78 LEU N . 78 GLY C 16635 1 81 DHC . 1 1 7 7 GLN H H 1 . . 1 1 6 6 SER C C 13 . -0.716 . . 0.3 . . . . 8 GLN H . 8 SER C 16635 1 82 DHC . 1 1 8 8 GLU H H 1 . . 1 1 7 7 GLN C C 13 . 10.250 . . 0.3 . . . . 9 GLU H . 9 GLN C 16635 1 83 DHC . 1 1 9 9 GLU H H 1 . . 1 1 8 8 GLU C C 13 . -7.102 . . 0.3 . . . . 10 GLU H . 10 GLU C 16635 1 84 DHC . 1 1 11 11 LYS H H 1 . . 1 1 10 10 LEU C C 13 . 30.103 . . 0.3 . . . . 12 LYS H . 12 LEU C 16635 1 85 DHC . 1 1 12 12 GLU H H 1 . . 1 1 11 11 LYS C C 13 . -6.935 . . 0.3 . . . . 13 GLU H . 13 LYS C 16635 1 86 DHC . 1 1 15 15 LEU H H 1 . . 1 1 14 14 ALA C C 13 . -10.548 . . 0.3 . . . . 16 LEU H . 16 ALA C 16635 1 87 DHC . 1 1 16 16 VAL H H 1 . . 1 1 15 15 LEU C C 13 . -23.785 . . 0.3 . . . . 17 VAL H . 17 LEU C 16635 1 88 DHC . 1 1 17 17 GLU H H 1 . . 1 1 16 16 VAL C C 13 . 26.285 . . 0.3 . . . . 18 GLU H . 18 VAL C 16635 1 89 DHC . 1 1 20 20 HIS H H 1 . . 1 1 19 19 ALA C C 13 . -20.864 . . 0.3 . . . . 21 HIS H . 21 ALA C 16635 1 90 DHC . 1 1 23 23 PHE H H 1 . . 1 1 22 22 LEU C C 13 . -25.491 . . 0.3 . . . . 24 PHE H . 24 LEU C 16635 1 91 DHC . 1 1 24 24 GLU H H 1 . . 1 1 23 23 PHE C C 13 . 4.572 . . 0.3 . . . . 25 GLU H . 25 PHE C 16635 1 92 DHC . 1 1 25 25 GLU H H 1 . . 1 1 24 24 GLU C C 13 . 14.664 . . 0.3 . . . . 26 GLU H . 26 GLU C 16635 1 93 DHC . 1 1 27 27 LYS H H 1 . . 1 1 26 26 HIS C C 13 . -21.692 . . 0.3 . . . . 28 LYS H . 28 HIS C 16635 1 94 DHC . 1 1 30 30 VAL H H 1 . . 1 1 29 29 PRO C C 13 . -12.887 . . 0.3 . . . . 31 VAL H . 31 PRO C 16635 1 95 DHC . 1 1 32 32 PHE H H 1 . . 1 1 31 31 PRO C C 13 . -8.176 . . 0.3 . . . . 33 PHE H . 33 PRO C 16635 1 96 DHC . 1 1 33 33 GLN H H 1 . . 1 1 32 32 PHE C C 13 . -5.077 . . 0.3 . . . . 34 GLN H . 34 PHE C 16635 1 97 DHC . 1 1 35 35 LEU H H 1 . . 1 1 34 34 GLU C C 13 . 8.780 . . 0.3 . . . . 36 LEU H . 36 GLU C 16635 1 98 DHC . 1 1 38 38 GLU H H 1 . . 1 1 37 37 ASN C C 13 . 27.392 . . 0.3 . . . . 39 GLU H . 39 ASN C 16635 1 99 DHC . 1 1 41 41 SER H H 1 . . 1 1 40 40 ALA C C 13 . 20.225 . . 0.3 . . . . 42 SER H . 42 ALA C 16635 1 100 DHC . 1 1 42 42 LEU H H 1 . . 1 1 41 41 SER C C 13 . 13.733 . . 0.3 . . . . 43 LEU H . 43 SER C 16635 1 101 DHC . 1 1 44 44 GLY H H 1 . . 1 1 43 43 LEU C C 13 . -4.683 . . 0.3 . . . . 45 GLY H . 45 LEU C 16635 1 102 DHC . 1 1 47 47 LYS H H 1 . . 1 1 46 46 LYS C C 13 . 13.029 . . 0.3 . . . . 48 LYS H . 48 LYS C 16635 1 103 DHC . 1 1 48 48 GLU H H 1 . . 1 1 47 47 LYS C C 13 . -11.423 . . 0.3 . . . . 49 GLU H . 49 LYS C 16635 1 104 DHC . 1 1 49 49 GLU H H 1 . . 1 1 48 48 GLU C C 13 . -8.191 . . 0.3 . . . . 50 GLU H . 50 GLU C 16635 1 105 DHC . 1 1 51 51 GLY H H 1 . . 1 1 50 50 LEU C C 13 . -12.412 . . 0.3 . . . . 52 GLY H . 52 LEU C 16635 1 106 DHC . 1 1 53 53 ARG H H 1 . . 1 1 52 52 ASP C C 13 . -2.751 . . 0.3 . . . . 54 ARG H . 54 ASP C 16635 1 107 DHC . 1 1 54 54 ILE H H 1 . . 1 1 53 53 ARG C C 13 . -11.956 . . 0.3 . . . . 55 ILE H . 55 ARG C 16635 1 108 DHC . 1 1 57 57 PHE H H 1 . . 1 1 56 56 GLN C C 13 . -8.659 . . 0.3 . . . . 58 PHE H . 58 GLN C 16635 1 109 DHC . 1 1 58 58 TYR H H 1 . . 1 1 57 57 PHE C C 13 . -10.303 . . 0.3 . . . . 59 TYR H . 59 PHE C 16635 1 110 DHC . 1 1 63 63 ILE H H 1 . . 1 1 62 62 ASN C C 13 . 28.484 . . 0.3 . . . . 64 ILE H . 64 ASN C 16635 1 111 DHC . 1 1 69 69 ALA H H 1 . . 1 1 68 68 LEU C C 13 . -9.763 . . 0.3 . . . . 70 ALA H . 70 LEU C 16635 1 112 DHC . 1 1 70 70 LEU H H 1 . . 1 1 69 69 ALA C C 13 . -13.895 . . 0.3 . . . . 71 LEU H . 71 ALA C 16635 1 113 DHC . 1 1 74 74 THR H H 1 . . 1 1 73 73 GLN C C 13 . 17.157 . . 0.3 . . . . 75 THR H . 75 GLN C 16635 1 114 DHC . 1 1 75 75 TRP H H 1 . . 1 1 74 74 THR C C 13 . 22.070 . . 0.3 . . . . 76 TRP H . 76 THR C 16635 1 115 DHC . 1 1 76 76 GLY H H 1 . . 1 1 75 75 TRP C C 13 . -14.642 . . 0.3 . . . . 77 GLY H . 77 TRP C 16635 1 116 DHC . 1 1 77 77 LEU H H 1 . . 1 1 76 76 GLY C C 13 . -8.253 . . 0.3 . . . . 78 LEU H . 78 GLY C 16635 1 117 DHC . 1 1 86 86 LEU H H 1 . . 1 1 85 85 GLN C C 13 . -3.933 . . 0.3 . . . . 87 LEU H . 87 GLN C 16635 1 118 DHC . 1 1 87 87 ASP H H 1 . . 1 1 86 86 LEU C C 13 . -0.809 . . 0.3 . . . . 88 ASP H . 88 LEU C 16635 1 119 DCC . 1 1 6 6 SER CA C 13 . . 1 1 6 6 SER C C 13 . -14.474 . . 0.3 . . . . 7 SER C . 7 SER C 16635 1 120 DCC . 1 1 8 8 GLU CA C 13 . . 1 1 8 8 GLU C C 13 . 8.532 . . 0.3 . . . . 9 GLU C . 9 GLU C 16635 1 121 DCC . 1 1 13 13 MET CA C 13 . . 1 1 13 13 MET C C 13 . 1.336 . . 0.3 . . . . 14 MET C . 14 MET C 16635 1 122 DCC . 1 1 14 14 ALA CA C 13 . . 1 1 14 14 ALA C C 13 . -14.776 . . 0.3 . . . . 15 ALA C . 15 ALA C 16635 1 123 DCC . 1 1 18 18 ILE CA C 13 . . 1 1 18 18 ILE C C 13 . 27.532 . . 0.3 . . . . 19 ILE C . 19 ILE C 16635 1 124 DCC . 1 1 19 19 ALA CA C 13 . . 1 1 19 19 ALA C C 13 . 9.202 . . 0.3 . . . . 20 ALA C . 20 ALA C 16635 1 125 DCC . 1 1 23 23 PHE CA C 13 . . 1 1 23 23 PHE C C 13 . -8.678 . . 0.3 . . . . 24 PHE C . 24 PHE C 16635 1 126 DCC . 1 1 32 32 PHE CA C 13 . . 1 1 32 32 PHE C C 13 . 23.742 . . 0.3 . . . . 33 PHE C . 33 PHE C 16635 1 127 DCC . 1 1 40 40 ALA CA C 13 . . 1 1 40 40 ALA C C 13 . 7.675 . . 0.3 . . . . 41 ALA C . 41 ALA C 16635 1 128 DCC . 1 1 45 45 VAL CA C 13 . . 1 1 45 45 VAL C C 13 . 8.799 . . 0.3 . . . . 46 VAL C . 46 VAL C 16635 1 129 DCC . 1 1 50 50 LEU CA C 13 . . 1 1 50 50 LEU C C 13 . -15.124 . . 0.3 . . . . 51 LEU C . 51 LEU C 16635 1 130 DCC . 1 1 51 51 GLY CA C 13 . . 1 1 51 51 GLY C C 13 . -2.585 . . 0.3 . . . . 52 GLY C . 52 GLY C 16635 1 131 DCC . 1 1 52 52 ASP CA C 13 . . 1 1 52 52 ASP C C 13 . 0.766 . . 0.3 . . . . 53 ASP C . 53 ASP C 16635 1 132 DCC . 1 1 55 55 ALA CA C 13 . . 1 1 55 55 ALA C C 13 . -19.710 . . 0.3 . . . . 56 ALA C . 56 ALA C 16635 1 133 DCC . 1 1 58 58 TYR CA C 13 . . 1 1 58 58 TYR C C 13 . -15.507 . . 0.3 . . . . 59 TYR C . 59 TYR C 16635 1 134 DCC . 1 1 59 59 THR CA C 13 . . 1 1 59 59 THR C C 13 . -11.541 . . 0.3 . . . . 60 THR C . 60 THR C 16635 1 135 DCC . 1 1 72 72 ASP CA C 13 . . 1 1 72 72 ASP C C 13 . 39.763 . . 0.3 . . . . 73 ASP C . 73 ASP C 16635 1 136 DCC . 1 1 73 73 GLN CA C 13 . . 1 1 73 73 GLN C C 13 . 3.185 . . 0.3 . . . . 74 GLN C . 74 GLN C 16635 1 137 DCC . 1 1 74 74 THR CA C 13 . . 1 1 74 74 THR C C 13 . -29.180 . . 0.3 . . . . 75 THR C . 75 THR C 16635 1 138 DCC . 1 1 75 75 TRP CA C 13 . . 1 1 75 75 TRP C C 13 . -14.801 . . 0.3 . . . . 76 TRP C . 76 TRP C 16635 1 139 DCC . 1 1 83 83 TYR CA C 13 . . 1 1 83 83 TYR C C 13 . 11.228 . . 0.3 . . . . 84 TYR C . 84 TYR C 16635 1 140 DCC . 1 1 84 84 ASP CA C 13 . . 1 1 84 84 ASP C C 13 . -6.360 . . 0.3 . . . . 85 ASP C . 85 ASP C 16635 1 141 DCH . 1 1 2 2 ILE CA C 13 . . 1 1 2 2 ILE HA H 1 . -20.924 . . 2.5 . . . . 3 ILE C . 3 ILE HA 16635 1 142 DCH . 1 1 8 8 GLU CA C 13 . . 1 1 8 8 GLU HA H 1 . -5.978 . . 2.5 . . . . 9 GLU C . 9 GLU HA 16635 1 143 DCH . 1 1 10 10 LEU CA C 13 . . 1 1 10 10 LEU HA H 1 . 9.266 . . 2.5 . . . . 11 LEU C . 11 LEU HA 16635 1 144 DCH . 1 1 14 14 ALA CA C 13 . . 1 1 14 14 ALA HA H 1 . 4.783 . . 2.5 . . . . 15 ALA C . 15 ALA HA 16635 1 145 DCH . 1 1 15 15 LEU CA C 13 . . 1 1 15 15 LEU HA H 1 . 2.092 . . 2.5 . . . . 16 LEU C . 16 LEU HA 16635 1 146 DCH . 1 1 16 16 VAL CA C 13 . . 1 1 16 16 VAL HA H 1 . -10.163 . . 2.5 . . . . 17 VAL C . 17 VAL HA 16635 1 147 DCH . 1 1 18 18 ILE CA C 13 . . 1 1 18 18 ILE HA H 1 . -4.484 . . 2.5 . . . . 19 ILE C . 19 ILE HA 16635 1 148 DCH . 1 1 27 27 LYS CA C 13 . . 1 1 27 27 LYS HA H 1 . -0.897 . . 2.5 . . . . 28 LYS C . 28 LYS HA 16635 1 149 DCH . 1 1 29 29 PRO CA C 13 . . 1 1 29 29 PRO HA H 1 . -23.615 . . 2.5 . . . . 30 PRO C . 30 PRO HA 16635 1 150 DCH . 1 1 30 30 VAL CA C 13 . . 1 1 30 30 VAL HA H 1 . -21.223 . . 2.5 . . . . 31 VAL C . 31 VAL HA 16635 1 151 DCH . 1 1 31 31 PRO CA C 13 . . 1 1 31 31 PRO HA H 1 . 17.936 . . 2.5 . . . . 32 PRO C . 32 PRO HA 16635 1 152 DCH . 1 1 36 36 LEU CA C 13 . . 1 1 36 36 LEU HA H 1 . -17.337 . . 2.5 . . . . 37 LEU C . 37 LEU HA 16635 1 153 DCH . 1 1 39 39 ILE CA C 13 . . 1 1 39 39 ILE HA H 1 . -14.946 . . 2.5 . . . . 40 ILE C . 40 ILE HA 16635 1 154 DCH . 1 1 40 40 ALA CA C 13 . . 1 1 40 40 ALA HA H 1 . -8.968 . . 2.5 . . . . 41 ALA C . 41 ALA HA 16635 1 155 DCH . 1 1 41 41 SER CA C 13 . . 1 1 41 41 SER HA H 1 . 25.707 . . 2.5 . . . . 42 SER C . 42 SER HA 16635 1 156 DCH . 1 1 47 47 LYS CA C 13 . . 1 1 47 47 LYS HA H 1 . -15.544 . . 2.5 . . . . 48 LYS C . 48 LYS HA 16635 1 157 DCH . 1 1 54 54 ILE CA C 13 . . 1 1 54 54 ILE HA H 1 . -12.853 . . 2.5 . . . . 55 ILE C . 55 ILE HA 16635 1 158 DCH . 1 1 59 59 THR CA C 13 . . 1 1 59 59 THR HA H 1 . 33.479 . . 2.5 . . . . 60 THR C . 60 THR HA 16635 1 159 DCH . 1 1 61 61 LEU CA C 13 . . 1 1 61 61 LEU HA H 1 . -12.555 . . 2.5 . . . . 62 LEU C . 62 LEU HA 16635 1 160 DCH . 1 1 63 63 ILE CA C 13 . . 1 1 63 63 ILE HA H 1 . 40.055 . . 2.5 . . . . 64 ILE C . 64 ILE HA 16635 1 161 DCH . 1 1 67 67 PHE CA C 13 . . 1 1 67 67 PHE HA H 1 . -23.615 . . 2.5 . . . . 68 PHE C . 68 PHE HA 16635 1 162 DCH . 1 1 75 75 TRP CA C 13 . . 1 1 75 75 TRP HA H 1 . 4.484 . . 2.5 . . . . 76 TRP C . 76 TRP HA 16635 1 163 DCH . 1 1 82 82 PRO CA C 13 . . 1 1 82 82 PRO HA H 1 . -2.092 . . 2.5 . . . . 83 PRO C . 83 PRO HA 16635 1 164 DCH . 1 1 83 83 TYR CA C 13 . . 1 1 83 83 TYR HA H 1 . 1.196 . . 2.5 . . . . 84 TYR C . 84 TYR HA 16635 1 165 DCH . 1 1 84 84 ASP CA C 13 . . 1 1 84 84 ASP HA H 1 . -1.196 . . 2.5 . . . . 85 ASP C . 85 ASP HA 16635 1 166 DCH . 1 1 87 87 ASP CA C 13 . . 1 1 87 87 ASP HA H 1 . 5.680 . . 2.5 . . . . 88 ASP C . 88 ASP HA 16635 1 167 DCH . 1 1 90 90 THR CA C 13 . . 1 1 90 90 THR HA H 1 . 3.288 . . 2.5 . . . . 91 THR C . 91 THR HA 16635 1 168 DCH . 1 1 93 93 GLU CA C 13 . . 1 1 93 93 GLU HA H 1 . 2.989 . . 2.5 . . . . 94 GLU C . 94 GLU HA 16635 1 169 DCH . 1 1 95 95 HIS CA C 13 . . 1 1 95 95 HIS HA H 1 . -1.794 . . 2.5 . . . . 96 HIS C . 96 HIS HA 16635 1 stop_ save_ save_RDC_list_2 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_2 _RDC_list.Entry_ID 16635 _RDC_list.ID 2 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600.153 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 17 '2D 1H-15N IPAP' . . . 16635 2 18 '2D HN[C]-S3E' . . . 16635 2 19 '2D (H)CACO-IPAP' . . . 16635 2 20 '2D 13C-coupled 1H-13C HSQC' . . . 16635 2 23 '2D 1H-15N IPAP' . . . 16635 2 24 '2D HN[C]-S3E' . . . 16635 2 25 '2D (H)CACO-IPAP' . . . 16635 2 26 '2D 13C-coupled 1H-13C HSQC' . . . 16635 2 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 3 $SPARKY . . 16635 2 7 $S3EPY . . 16635 2 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 6 6 SER N N 15 . . 1 1 6 6 SER H H 1 . -8.560 . . 1.2 . . . . 7 SER N . 7 SER H 16635 2 2 DNH . 1 1 7 7 GLN N N 15 . . 1 1 7 7 GLN H H 1 . -0.056 . . 1.2 . . . . 8 GLN N . 8 GLN H 16635 2 3 DNH . 1 1 8 8 GLU N N 15 . . 1 1 8 8 GLU H H 1 . -6.249 . . 1.2 . . . . 9 GLU N . 9 GLU H 16635 2 4 DNH . 1 1 12 12 GLU N N 15 . . 1 1 12 12 GLU H H 1 . -7.306 . . 1.2 . . . . 13 GLU N . 13 GLU H 16635 2 5 DNH . 1 1 14 14 ALA N N 15 . . 1 1 14 14 ALA H H 1 . -4.237 . . 1.2 . . . . 15 ALA N . 15 ALA H 16635 2 6 DNH . 1 1 15 15 LEU N N 15 . . 1 1 15 15 LEU H H 1 . -2.538 . . 1.2 . . . . 16 LEU N . 16 LEU H 16635 2 7 DNH . 1 1 16 16 VAL N N 15 . . 1 1 16 16 VAL H H 1 . -7.731 . . 1.2 . . . . 17 VAL N . 17 VAL H 16635 2 8 DNH . 1 1 17 17 GLU N N 15 . . 1 1 17 17 GLU H H 1 . 12.601 . . 1.2 . . . . 18 GLU N . 18 GLU H 16635 2 9 DNH . 1 1 18 18 ILE N N 15 . . 1 1 18 18 ILE H H 1 . -3.966 . . 1.2 . . . . 19 ILE N . 19 ILE H 16635 2 10 DNH . 1 1 19 19 ALA N N 15 . . 1 1 19 19 ALA H H 1 . -6.662 . . 1.2 . . . . 20 ALA N . 20 ALA H 16635 2 11 DNH . 1 1 20 20 HIS N N 15 . . 1 1 20 20 HIS H H 1 . -2.841 . . 1.2 . . . . 21 HIS N . 21 HIS H 16635 2 12 DNH . 1 1 21 21 GLU N N 15 . . 1 1 21 21 GLU H H 1 . 5.066 . . 1.2 . . . . 22 GLU N . 22 GLU H 16635 2 13 DNH . 1 1 23 23 PHE N N 15 . . 1 1 23 23 PHE H H 1 . -8.460 . . 1.2 . . . . 24 PHE N . 24 PHE H 16635 2 14 DNH . 1 1 26 26 HIS N N 15 . . 1 1 26 26 HIS H H 1 . -8.799 . . 1.2 . . . . 27 HIS N . 27 HIS H 16635 2 15 DNH . 1 1 27 27 LYS N N 15 . . 1 1 27 27 LYS H H 1 . -5.949 . . 1.2 . . . . 28 LYS N . 28 LYS H 16635 2 16 DNH . 1 1 28 28 LYS N N 15 . . 1 1 28 28 LYS H H 1 . 14.021 . . 1.2 . . . . 29 LYS N . 29 LYS H 16635 2 17 DNH . 1 1 30 30 VAL N N 15 . . 1 1 30 30 VAL H H 1 . -11.101 . . 1.2 . . . . 31 VAL N . 31 VAL H 16635 2 18 DNH . 1 1 32 32 PHE N N 15 . . 1 1 32 32 PHE H H 1 . 8.063 . . 1.2 . . . . 33 PHE N . 33 PHE H 16635 2 19 DNH . 1 1 33 33 GLN N N 15 . . 1 1 33 33 GLN H H 1 . 5.916 . . 1.2 . . . . 34 GLN N . 34 GLN H 16635 2 20 DNH . 1 1 35 35 LEU N N 15 . . 1 1 35 35 LEU H H 1 . 7.417 . . 1.2 . . . . 36 LEU N . 36 LEU H 16635 2 21 DNH . 1 1 36 36 LEU N N 15 . . 1 1 36 36 LEU H H 1 . 3.931 . . 1.2 . . . . 37 LEU N . 37 LEU H 16635 2 22 DNH . 1 1 38 38 GLU N N 15 . . 1 1 38 38 GLU H H 1 . 15.464 . . 1.2 . . . . 39 GLU N . 39 GLU H 16635 2 23 DNH . 1 1 41 41 SER N N 15 . . 1 1 41 41 SER H H 1 . 15.111 . . 1.2 . . . . 42 SER N . 42 SER H 16635 2 24 DNH . 1 1 42 42 LEU N N 15 . . 1 1 42 42 LEU H H 1 . 11.133 . . 1.2 . . . . 43 LEU N . 43 LEU H 16635 2 25 DNH . 1 1 47 47 LYS N N 15 . . 1 1 47 47 LYS H H 1 . -10.184 . . 1.2 . . . . 48 LYS N . 48 LYS H 16635 2 26 DNH . 1 1 48 48 GLU N N 15 . . 1 1 48 48 GLU H H 1 . -8.210 . . 1.2 . . . . 49 GLU N . 49 GLU H 16635 2 27 DNH . 1 1 49 49 GLU N N 15 . . 1 1 49 49 GLU H H 1 . -9.016 . . 1.2 . . . . 50 GLU N . 50 GLU H 16635 2 28 DNH . 1 1 50 50 LEU N N 15 . . 1 1 50 50 LEU H H 1 . -7.402 . . 1.2 . . . . 51 LEU N . 51 LEU H 16635 2 29 DNH . 1 1 52 52 ASP N N 15 . . 1 1 52 52 ASP H H 1 . 15.063 . . 1.2 . . . . 53 ASP N . 53 ASP H 16635 2 30 DNH . 1 1 53 53 ARG N N 15 . . 1 1 53 53 ARG H H 1 . 8.051 . . 1.2 . . . . 54 ARG N . 54 ARG H 16635 2 31 DNH . 1 1 57 57 PHE N N 15 . . 1 1 57 57 PHE H H 1 . 13.580 . . 1.2 . . . . 58 PHE N . 58 PHE H 16635 2 32 DNH . 1 1 58 58 TYR N N 15 . . 1 1 58 58 TYR H H 1 . 13.363 . . 1.2 . . . . 59 TYR N . 59 TYR H 16635 2 33 DNH . 1 1 64 64 ASP N N 15 . . 1 1 64 64 ASP H H 1 . -2.120 . . 1.2 . . . . 65 ASP N . 65 ASP H 16635 2 34 DNH . 1 1 69 69 ALA N N 15 . . 1 1 69 69 ALA H H 1 . -6.554 . . 1.2 . . . . 70 ALA N . 70 ALA H 16635 2 35 DNH . 1 1 70 70 LEU N N 15 . . 1 1 70 70 LEU H H 1 . 17.412 . . 1.2 . . . . 71 LEU N . 71 LEU H 16635 2 36 DNH . 1 1 71 71 SER N N 15 . . 1 1 71 71 SER H H 1 . 9.101 . . 1.2 . . . . 72 SER N . 72 SER H 16635 2 37 DNH . 1 1 75 75 TRP N N 15 . . 1 1 75 75 TRP H H 1 . 7.584 . . 1.2 . . . . 76 TRP N . 76 TRP H 16635 2 38 DNH . 1 1 76 76 GLY N N 15 . . 1 1 76 76 GLY H H 1 . -6.841 . . 1.2 . . . . 77 GLY N . 77 GLY H 16635 2 39 DNH . 1 1 86 86 LEU N N 15 . . 1 1 86 86 LEU H H 1 . -1.176 . . 1.2 . . . . 87 LEU N . 87 LEU H 16635 2 40 DNH . 1 1 88 88 GLU N N 15 . . 1 1 88 88 GLU H H 1 . -0.170 . . 1.2 . . . . 89 GLU N . 89 GLU H 16635 2 41 DNH . 1 1 90 90 THR N N 15 . . 1 1 90 90 THR H H 1 . -0.700 . . 1.2 . . . . 91 THR N . 91 THR H 16635 2 42 DNH . 1 1 92 92 LEU N N 15 . . 1 1 92 92 LEU H H 1 . -1.225 . . 1.2 . . . . 93 LEU N . 93 LEU H 16635 2 43 DNC . 1 1 5 5 TYR N N 15 . . 1 1 4 4 GLN C C 13 . -7.562 . . 0.2 . . . . 6 TYR N . 5 GLN C 16635 2 44 DNC . 1 1 7 7 GLN N N 15 . . 1 1 6 6 SER C C 13 . 6.610 . . 0.2 . . . . 8 GLN N . 7 TYR C 16635 2 45 DNC . 1 1 8 8 GLU N N 15 . . 1 1 7 7 GLN C C 13 . -2.019 . . 0.2 . . . . 9 GLU N . 8 GLN C 16635 2 46 DNC . 1 1 9 9 GLU N N 15 . . 1 1 8 8 GLU C C 13 . 6.172 . . 0.2 . . . . 10 GLU N . 9 GLU C 16635 2 47 DNC . 1 1 12 12 GLU N N 15 . . 1 1 11 11 LYS C C 13 . -4.013 . . 0.2 . . . . 13 GLU N . 12 LYS C 16635 2 48 DNC . 1 1 14 14 ALA N N 15 . . 1 1 13 13 MET C C 13 . 8.894 . . 0.2 . . . . 15 ALA N . 14 MET C 16635 2 49 DNC . 1 1 15 15 LEU N N 15 . . 1 1 14 14 ALA C C 13 . -8.381 . . 0.2 . . . . 16 LEU N . 15 ALA C 16635 2 50 DNC . 1 1 16 16 VAL N N 15 . . 1 1 15 15 LEU C C 13 . 0.174 . . 0.2 . . . . 17 VAL N . 16 LEU C 16635 2 51 DNC . 1 1 17 17 GLU N N 15 . . 1 1 16 16 VAL C C 13 . 1.406 . . 0.2 . . . . 18 GLU N . 17 VAL C 16635 2 52 DNC . 1 1 18 18 ILE N N 15 . . 1 1 17 17 GLU C C 13 . 7.669 . . 0.2 . . . . 19 ILE N . 18 GLU C 16635 2 53 DNC . 1 1 19 19 ALA N N 15 . . 1 1 18 18 ILE C C 13 . -3.293 . . 0.2 . . . . 20 ALA N . 19 ILE C 16635 2 54 DNC . 1 1 20 20 HIS N N 15 . . 1 1 19 19 ALA C C 13 . -8.282 . . 0.2 . . . . 21 HIS N . 20 ALA C 16635 2 55 DNC . 1 1 23 23 PHE N N 15 . . 1 1 22 22 LEU C C 13 . 2.283 . . 0.2 . . . . 24 PHE N . 23 LEU C 16635 2 56 DNC . 1 1 24 24 GLU N N 15 . . 1 1 23 23 PHE C C 13 . -8.406 . . 0.2 . . . . 25 GLU N . 24 PHE C 16635 2 57 DNC . 1 1 25 25 GLU N N 15 . . 1 1 24 24 GLU C C 13 . 11.748 . . 0.2 . . . . 26 GLU N . 25 GLU C 16635 2 58 DNC . 1 1 27 27 LYS N N 15 . . 1 1 26 26 HIS C C 13 . -0.405 . . 0.2 . . . . 28 LYS N . 27 HIS C 16635 2 59 DNC . 1 1 28 28 LYS N N 15 . . 1 1 27 27 LYS C C 13 . -1.779 . . 0.2 . . . . 29 LYS N . 28 LYS C 16635 2 60 DNC . 1 1 30 30 VAL N N 15 . . 1 1 29 29 PRO C C 13 . 0.786 . . 0.2 . . . . 31 VAL N . 30 PRO C 16635 2 61 DNC . 1 1 32 32 PHE N N 15 . . 1 1 31 31 PRO C C 13 . -11.847 . . 0.2 . . . . 33 PHE N . 32 PRO C 16635 2 62 DNC . 1 1 33 33 GLN N N 15 . . 1 1 32 32 PHE C C 13 . -10.615 . . 0.2 . . . . 34 GLN N . 33 PHE C 16635 2 63 DNC . 1 1 34 34 GLU N N 15 . . 1 1 33 33 GLN C C 13 . 4.319 . . 0.2 . . . . 35 GLU N . 34 GLN C 16635 2 64 DNC . 1 1 38 38 GLU N N 15 . . 1 1 37 37 ASN C C 13 . 10.036 . . 0.2 . . . . 39 GLU N . 38 ASN C 16635 2 65 DNC . 1 1 41 41 SER N N 15 . . 1 1 40 40 ALA C C 13 . -3.516 . . 0.2 . . . . 42 SER N . 41 ALA C 16635 2 66 DNC . 1 1 42 42 LEU N N 15 . . 1 1 41 41 SER C C 13 . 4.674 . . 0.2 . . . . 43 LEU N . 42 SER C 16635 2 67 DNC . 1 1 44 44 GLY N N 15 . . 1 1 43 43 LEU C C 13 . -12.567 . . 0.2 . . . . 45 GLY N . 44 LEU C 16635 2 68 DNC . 1 1 48 48 GLU N N 15 . . 1 1 47 47 LYS C C 13 . 4.104 . . 0.2 . . . . 49 GLU N . 48 LYS C 16635 2 69 DNC . 1 1 49 49 GLU N N 15 . . 1 1 48 48 GLU C C 13 . -4.021 . . 0.2 . . . . 50 GLU N . 49 GLU C 16635 2 70 DNC . 1 1 50 50 LEU N N 15 . . 1 1 49 49 GLU C C 13 . 16.530 . . 0.2 . . . . 51 LEU N . 50 GLU C 16635 2 71 DNC . 1 1 51 51 GLY N N 15 . . 1 1 50 50 LEU C C 13 . -6.329 . . 0.2 . . . . 52 GLY N . 51 LEU C 16635 2 72 DNC . 1 1 52 52 ASP N N 15 . . 1 1 51 51 GLY C C 13 . -6.048 . . 0.2 . . . . 53 ASP N . 52 GLY C 16635 2 73 DNC . 1 1 53 53 ARG N N 15 . . 1 1 52 52 ASP C C 13 . -5.775 . . 0.2 . . . . 54 ARG N . 53 ASP C 16635 2 74 DNC . 1 1 57 57 PHE N N 15 . . 1 1 56 56 GLN C C 13 . -8.207 . . 0.2 . . . . 58 PHE N . 57 GLN C 16635 2 75 DNC . 1 1 58 58 TYR N N 15 . . 1 1 57 57 PHE C C 13 . -10.433 . . 0.2 . . . . 59 TYR N . 58 PHE C 16635 2 76 DNC . 1 1 64 64 ASP N N 15 . . 1 1 63 63 ILE C C 13 . -4.401 . . 0.2 . . . . 65 ASP N . 64 ILE C 16635 2 77 DNC . 1 1 66 66 ARG N N 15 . . 1 1 65 65 GLY C C 13 . 9.804 . . 0.2 . . . . 67 ARG N . 66 GLY C 16635 2 78 DNC . 1 1 69 69 ALA N N 15 . . 1 1 68 68 LEU C C 13 . -7.901 . . 0.2 . . . . 70 ALA N . 69 LEU C 16635 2 79 DNC . 1 1 70 70 LEU N N 15 . . 1 1 69 69 ALA C C 13 . -12.178 . . 0.2 . . . . 71 LEU N . 70 ALA C 16635 2 80 DNC . 1 1 74 74 THR N N 15 . . 1 1 73 73 GLN C C 13 . 2.019 . . 0.2 . . . . 75 THR N . 74 GLN C 16635 2 81 DNC . 1 1 75 75 TRP N N 15 . . 1 1 74 74 THR C C 13 . -0.993 . . 0.2 . . . . 76 TRP N . 75 THR C 16635 2 82 DNC . 1 1 76 76 GLY N N 15 . . 1 1 75 75 TRP C C 13 . 2.523 . . 0.2 . . . . 77 GLY N . 76 TRP C 16635 2 83 DNC . 1 1 77 77 LEU N N 15 . . 1 1 76 76 GLY C C 13 . -6.346 . . 0.2 . . . . 78 LEU N . 77 GLY C 16635 2 84 DNC . 1 1 79 79 SER N N 15 . . 1 1 78 78 ARG C C 13 . -0.753 . . 0.2 . . . . 80 SER N . 79 ARG C 16635 2 85 DNC . 1 1 80 80 TRP N N 15 . . 1 1 79 79 SER C C 13 . -7.322 . . 0.2 . . . . 81 TRP N . 80 SER C 16635 2 86 DNC . 1 1 92 92 LEU N N 15 . . 1 1 91 91 GLN C C 13 . -1.051 . . 0.2 . . . . 93 LEU N . 92 GLN C 16635 2 87 DCC . 1 1 2 2 ILE H H 1 . . 1 1 1 1 GLY C C 13 . -5.034 . . 0.3 . . . . 3 ILE H . 2 GLY C 16635 2 88 DCC . 1 1 5 5 TYR H H 1 . . 1 1 4 4 GLN C C 13 . -5.421 . . 0.3 . . . . 6 TYR H . 5 GLN C 16635 2 89 DCC . 1 1 6 6 SER H H 1 . . 1 1 5 5 TYR C C 13 . -1.613 . . 0.3 . . . . 7 SER H . 6 TYR C 16635 2 90 DCC . 1 1 7 7 GLN H H 1 . . 1 1 6 6 SER C C 13 . 7.437 . . 0.3 . . . . 8 GLN H . 7 SER C 16635 2 91 DCC . 1 1 8 8 GLU H H 1 . . 1 1 7 7 GLN C C 13 . -0.226 . . 0.3 . . . . 9 GLU H . 8 GLN C 16635 2 92 DCC . 1 1 9 9 GLU H H 1 . . 1 1 8 8 GLU C C 13 . -4.702 . . 0.3 . . . . 10 GLU H . 9 GLU C 16635 2 93 DCC . 1 1 12 12 GLU H H 1 . . 1 1 11 11 LYS C C 13 . -5.338 . . 0.3 . . . . 13 GLU H . 12 LYS C 16635 2 94 DCC . 1 1 13 13 MET H H 1 . . 1 1 12 12 GLU C C 13 . -7.245 . . 0.3 . . . . 14 MET H . 13 GLU C 16635 2 95 DCC . 1 1 14 14 ALA H H 1 . . 1 1 13 13 MET C C 13 . 8.945 . . 0.3 . . . . 15 ALA H . 14 MET C 16635 2 96 DCC . 1 1 15 15 LEU H H 1 . . 1 1 14 14 ALA C C 13 . -6.622 . . 0.3 . . . . 16 LEU H . 15 ALA C 16635 2 97 DCC . 1 1 16 16 VAL H H 1 . . 1 1 15 15 LEU C C 13 . -8.824 . . 0.3 . . . . 17 VAL H . 16 LEU C 16635 2 98 DCC . 1 1 17 17 GLU H H 1 . . 1 1 16 16 VAL C C 13 . 9.534 . . 0.3 . . . . 18 GLU H . 17 VAL C 16635 2 99 DCC . 1 1 18 18 ILE H H 1 . . 1 1 17 17 GLU C C 13 . 4.398 . . 0.3 . . . . 19 ILE H . 18 GLU C 16635 2 100 DCC . 1 1 20 20 HIS H H 1 . . 1 1 19 19 ALA C C 13 . -9.233 . . 0.3 . . . . 21 HIS H . 20 ALA C 16635 2 101 DCC . 1 1 24 24 GLU H H 1 . . 1 1 23 23 PHE C C 13 . -4.302 . . 0.3 . . . . 25 GLU H . 24 PHE C 16635 2 102 DCC . 1 1 25 25 GLU H H 1 . . 1 1 24 24 GLU C C 13 . 12.117 . . 0.3 . . . . 26 GLU H . 25 GLU C 16635 2 103 DCC . 1 1 26 26 HIS H H 1 . . 1 1 25 25 GLU C C 13 . -9.621 . . 0.3 . . . . 27 HIS H . 26 GLU C 16635 2 104 DCC . 1 1 28 28 LYS H H 1 . . 1 1 27 27 LYS C C 13 . 8.954 . . 0.3 . . . . 29 LYS H . 28 LYS C 16635 2 105 DCC . 1 1 30 30 VAL H H 1 . . 1 1 29 29 PRO C C 13 . -7.422 . . 0.3 . . . . 31 VAL H . 30 PRO C 16635 2 106 DCC . 1 1 32 32 PHE H H 1 . . 1 1 31 31 PRO C C 13 . -6.014 . . 0.3 . . . . 33 PHE H . 32 PRO C 16635 2 107 DCC . 1 1 33 33 GLN H H 1 . . 1 1 32 32 PHE C C 13 . -7.515 . . 0.3 . . . . 34 GLN H . 33 PHE C 16635 2 108 DCC . 1 1 34 34 GLU H H 1 . . 1 1 33 33 GLN C C 13 . 16.162 . . 0.3 . . . . 35 GLU H . 34 GLN C 16635 2 109 DCC . 1 1 35 35 LEU H H 1 . . 1 1 34 34 GLU C C 13 . 8.830 . . 0.3 . . . . 36 LEU H . 35 GLU C 16635 2 110 DCC . 1 1 36 36 LEU H H 1 . . 1 1 35 35 LEU C C 13 . -5.269 . . 0.3 . . . . 37 LEU H . 36 LEU C 16635 2 111 DCC . 1 1 38 38 GLU H H 1 . . 1 1 37 37 ASN C C 13 . 18.938 . . 0.3 . . . . 39 GLU H . 38 ASN C 16635 2 112 DCC . 1 1 41 41 SER H H 1 . . 1 1 40 40 ALA C C 13 . 5.601 . . 0.3 . . . . 42 SER H . 41 ALA C 16635 2 113 DCC . 1 1 42 42 LEU H H 1 . . 1 1 41 41 SER C C 13 . 13.479 . . 0.3 . . . . 43 LEU H . 42 SER C 16635 2 114 DCC . 1 1 44 44 GLY H H 1 . . 1 1 43 43 LEU C C 13 . -4.144 . . 0.3 . . . . 45 GLY H . 44 LEU C 16635 2 115 DCC . 1 1 47 47 LYS H H 1 . . 1 1 46 46 LYS C C 13 . 3.393 . . 0.3 . . . . 48 LYS H . 47 LYS C 16635 2 116 DCC . 1 1 48 48 GLU H H 1 . . 1 1 47 47 LYS C C 13 . 1.706 . . 0.3 . . . . 49 GLU H . 48 LYS C 16635 2 117 DCC . 1 1 49 49 GLU H H 1 . . 1 1 48 48 GLU C C 13 . -7.338 . . 0.3 . . . . 50 GLU H . 49 GLU C 16635 2 118 DCC . 1 1 52 52 ASP H H 1 . . 1 1 51 51 GLY C C 13 . 0.651 . . 0.3 . . . . 53 ASP H . 52 GLY C 16635 2 119 DCC . 1 1 53 53 ARG H H 1 . . 1 1 52 52 ASP C C 13 . -1.830 . . 0.3 . . . . 54 ARG H . 53 ASP C 16635 2 120 DCC . 1 1 54 54 ILE H H 1 . . 1 1 53 53 ARG C C 13 . -2.013 . . 0.3 . . . . 55 ILE H . 54 ARG C 16635 2 121 DCC . 1 1 57 57 PHE H H 1 . . 1 1 56 56 GLN C C 13 . 3.309 . . 0.3 . . . . 58 PHE H . 57 GLN C 16635 2 122 DCC . 1 1 58 58 TYR H H 1 . . 1 1 57 57 PHE C C 13 . -3.232 . . 0.3 . . . . 59 TYR H . 58 PHE C 16635 2 123 DCC . 1 1 66 66 ARG H H 1 . . 1 1 65 65 GLY C C 13 . 17.058 . . 0.3 . . . . 67 ARG H . 66 GLY C 16635 2 124 DCC . 1 1 69 69 ALA H H 1 . . 1 1 68 68 LEU C C 13 . -7.316 . . 0.3 . . . . 70 ALA H . 69 LEU C 16635 2 125 DCC . 1 1 70 70 LEU H H 1 . . 1 1 69 69 ALA C C 13 . -1.895 . . 0.3 . . . . 71 LEU H . 70 ALA C 16635 2 126 DCC . 1 1 76 76 GLY H H 1 . . 1 1 75 75 TRP C C 13 . 0.813 . . 0.3 . . . . 77 GLY H . 76 TRP C 16635 2 127 DCC . 1 1 77 77 LEU H H 1 . . 1 1 76 76 GLY C C 13 . -7.093 . . 0.3 . . . . 78 LEU H . 77 GLY C 16635 2 128 DCC . 1 1 79 79 SER H H 1 . . 1 1 78 78 ARG C C 13 . 9.736 . . 0.3 . . . . 80 SER H . 79 ARG C 16635 2 129 DCC . 1 1 86 86 LEU H H 1 . . 1 1 85 85 GLN C C 13 . -4.457 . . 0.3 . . . . 87 LEU H . 86 GLN C 16635 2 130 DCC . 1 1 87 87 ASP H H 1 . . 1 1 86 86 LEU C C 13 . -1.027 . . 0.3 . . . . 88 ASP H . 87 LEU C 16635 2 131 DCC . 1 1 1 1 GLY CA C 13 . . 1 1 1 1 GLY C C 13 . 14.393 . . 0.3 . . . . 2 GLY CA . 2 GLY C 16635 2 132 DCC . 1 1 4 4 GLN CA C 13 . . 1 1 4 4 GLN C C 13 . 3.966 . . 0.3 . . . . 5 GLN CA . 5 GLN C 16635 2 133 DCC . 1 1 7 7 GLN CA C 13 . . 1 1 7 7 GLN C C 13 . -12.715 . . 0.3 . . . . 8 GLN CA . 8 GLN C 16635 2 134 DCC . 1 1 11 11 LYS CA C 13 . . 1 1 11 11 LYS C C 13 . -13.325 . . 0.3 . . . . 12 LYS CA . 12 LYS C 16635 2 135 DCC . 1 1 13 13 MET CA C 13 . . 1 1 13 13 MET C C 13 . -7.363 . . 0.3 . . . . 14 MET CA . 14 MET C 16635 2 136 DCC . 1 1 14 14 ALA CA C 13 . . 1 1 14 14 ALA C C 13 . -11.450 . . 0.3 . . . . 15 ALA CA . 15 ALA C 16635 2 137 DCC . 1 1 16 16 VAL CA C 13 . . 1 1 16 16 VAL C C 13 . -9.112 . . 0.3 . . . . 17 VAL CA . 17 VAL C 16635 2 138 DCC . 1 1 18 18 ILE CA C 13 . . 1 1 18 18 ILE C C 13 . 8.996 . . 0.3 . . . . 19 ILE CA . 19 ILE C 16635 2 139 DCC . 1 1 19 19 ALA CA C 13 . . 1 1 19 19 ALA C C 13 . 9.737 . . 0.3 . . . . 20 ALA CA . 20 ALA C 16635 2 140 DCC . 1 1 25 25 GLU CA C 13 . . 1 1 25 25 GLU C C 13 . -6.128 . . 0.3 . . . . 26 GLU CA . 26 GLU C 16635 2 141 DCC . 1 1 27 27 LYS CA C 13 . . 1 1 27 27 LYS C C 13 . -3.639 . . 0.3 . . . . 28 LYS CA . 28 LYS C 16635 2 142 DCC . 1 1 31 31 PRO CA C 13 . . 1 1 31 31 PRO C C 13 . 6.955 . . 0.3 . . . . 32 PRO CA . 32 PRO C 16635 2 143 DCC . 1 1 33 33 GLN CA C 13 . . 1 1 33 33 GLN C C 13 . -8.663 . . 0.3 . . . . 34 GLN CA . 34 GLN C 16635 2 144 DCC . 1 1 37 37 ASN CA C 13 . . 1 1 37 37 ASN C C 13 . -10.523 . . 0.3 . . . . 38 ASN CA . 38 ASN C 16635 2 145 DCC . 1 1 38 38 GLU CA C 13 . . 1 1 38 38 GLU C C 13 . -4.984 . . 0.3 . . . . 39 GLU CA . 39 GLU C 16635 2 146 DCC . 1 1 44 44 GLY CA C 13 . . 1 1 44 44 GLY C C 13 . -8.517 . . 0.3 . . . . 45 GLY CA . 45 GLY C 16635 2 147 DCC . 1 1 47 47 LYS CA C 13 . . 1 1 47 47 LYS C C 13 . -10.009 . . 0.3 . . . . 48 LYS CA . 48 LYS C 16635 2 148 DCC . 1 1 50 50 LEU CA C 13 . . 1 1 50 50 LEU C C 13 . -11.934 . . 0.3 . . . . 51 LEU CA . 51 LEU C 16635 2 149 DCC . 1 1 51 51 GLY CA C 13 . . 1 1 51 51 GLY C C 13 . 3.830 . . 0.3 . . . . 52 GLY CA . 52 GLY C 16635 2 150 DCC . 1 1 52 52 ASP CA C 13 . . 1 1 52 52 ASP C C 13 . 5.478 . . 0.3 . . . . 53 ASP CA . 53 ASP C 16635 2 151 DCC . 1 1 54 54 ILE CA C 13 . . 1 1 54 54 ILE C C 13 . 9.051 . . 0.3 . . . . 55 ILE CA . 55 ILE C 16635 2 152 DCC . 1 1 58 58 TYR CA C 13 . . 1 1 58 58 TYR C C 13 . -0.963 . . 0.3 . . . . 59 TYR CA . 59 TYR C 16635 2 153 DCC . 1 1 70 70 LEU CA C 13 . . 1 1 70 70 LEU C C 13 . -5.287 . . 0.3 . . . . 71 LEU CA . 71 LEU C 16635 2 154 DCC . 1 1 71 71 SER CA C 13 . . 1 1 71 71 SER C C 13 . 1.371 . . 0.3 . . . . 72 SER CA . 72 SER C 16635 2 155 DCC . 1 1 73 73 GLN CA C 13 . . 1 1 73 73 GLN C C 13 . -5.271 . . 0.3 . . . . 74 GLN CA . 74 GLN C 16635 2 156 DCC . 1 1 82 82 PRO CA C 13 . . 1 1 82 82 PRO C C 13 . 1.169 . . 0.3 . . . . 83 PRO CA . 83 PRO C 16635 2 157 DCC . 1 1 84 84 ASP CA C 13 . . 1 1 84 84 ASP C C 13 . -1.965 . . 0.3 . . . . 85 ASP CA . 85 ASP C 16635 2 158 DCC . 1 1 87 87 ASP CA C 13 . . 1 1 87 87 ASP C C 13 . -0.086 . . 0.3 . . . . 88 ASP CA . 88 ASP C 16635 2 159 DCC . 1 1 88 88 GLU CA C 13 . . 1 1 88 88 GLU C C 13 . 2.676 . . 0.3 . . . . 89 GLU CA . 89 GLU C 16635 2 160 DCC . 1 1 93 93 GLU CA C 13 . . 1 1 93 93 GLU C C 13 . 0.338 . . 0.3 . . . . 94 GLU CA . 94 GLU C 16635 2 161 DCH . 1 1 2 2 ILE CA C 13 . . 1 1 2 2 ILE HA H 1 . -8.967 . . 2.5 . . . . 3 ILE CA . 3 ILE HA 16635 2 162 DCH . 1 1 14 14 ALA CA C 13 . . 1 1 14 14 ALA HA H 1 . 4.484 . . 2.5 . . . . 15 ALA CA . 15 ALA HA 16635 2 163 DCH . 1 1 15 15 LEU CA C 13 . . 1 1 15 15 LEU HA H 1 . -5.680 . . 2.5 . . . . 16 LEU CA . 16 LEU HA 16635 2 164 DCH . 1 1 16 16 VAL CA C 13 . . 1 1 16 16 VAL HA H 1 . -6.875 . . 2.5 . . . . 17 VAL CA . 17 VAL HA 16635 2 165 DCH . 1 1 29 29 PRO CA C 13 . . 1 1 29 29 PRO HA H 1 . -11.957 . . 2.5 . . . . 30 PRO CA . 30 PRO HA 16635 2 166 DCH . 1 1 30 30 VAL CA C 13 . . 1 1 30 30 VAL HA H 1 . -11.957 . . 2.5 . . . . 31 VAL CA . 31 VAL HA 16635 2 167 DCH . 1 1 31 31 PRO CA C 13 . . 1 1 31 31 PRO HA H 1 . 6.577 . . 2.5 . . . . 32 PRO CA . 32 PRO HA 16635 2 168 DCH . 1 1 36 36 LEU CA C 13 . . 1 1 36 36 LEU HA H 1 . -13.153 . . 2.5 . . . . 37 LEU CA . 37 LEU HA 16635 2 169 DCH . 1 1 39 39 ILE CA C 13 . . 1 1 39 39 ILE HA H 1 . -8.370 . . 2.5 . . . . 40 ILE CA . 40 ILE HA 16635 2 170 DCH . 1 1 41 41 SER CA C 13 . . 1 1 41 41 SER HA H 1 . 17.337 . . 2.5 . . . . 42 SER CA . 42 SER HA 16635 2 171 DCH . 1 1 47 47 LYS CA C 13 . . 1 1 47 47 LYS HA H 1 . -5.680 . . 2.5 . . . . 48 LYS CA . 48 LYS HA 16635 2 172 DCH . 1 1 61 61 LEU CA C 13 . . 1 1 61 61 LEU HA H 1 . -10.462 . . 2.5 . . . . 62 LEU CA . 62 LEU HA 16635 2 173 DCH . 1 1 67 67 PHE CA C 13 . . 1 1 67 67 PHE HA H 1 . -8.370 . . 2.5 . . . . 68 PHE CA . 68 PHE HA 16635 2 174 DCH . 1 1 69 69 ALA CA C 13 . . 1 1 69 69 ALA HA H 1 . -2.691 . . 2.5 . . . . 70 ALA CA . 70 ALA HA 16635 2 175 DCH . 1 1 75 75 TRP CA C 13 . . 1 1 75 75 TRP HA H 1 . 3.587 . . 2.5 . . . . 76 TRP CA . 76 TRP HA 16635 2 176 DCH . 1 1 82 82 PRO CA C 13 . . 1 1 82 82 PRO HA H 1 . -6.278 . . 2.5 . . . . 83 PRO CA . 83 PRO HA 16635 2 177 DCH . 1 1 90 90 THR CA C 13 . . 1 1 90 90 THR HA H 1 . -2.092 . . 2.5 . . . . 91 THR CA . 91 THR HA 16635 2 stop_ save_