data_16584 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16584 _Entry.Title ; 2J coupling constants in DFPase from Loligo vulgaris ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-10-25 _Entry.Accession_date 2009-10-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _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 Jurgen Schmidt . M. . 16584 2 Frank Lohr . . . 16584 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID coupling_constants 4 16584 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'coupling constants' 796 16584 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-18 2009-10-25 update BMRB 'complete entry citation' 16584 1 . . 2010-02-08 2009-10-25 original author 'original release' 16584 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15909 '1J coupling constants related to the Ca carbons in DFPase' 16584 BMRB 16579 '2J coupling constants in oxidised Flavodxin' 16584 BMRB 16580 '2J coupling constants in Ribonuclease T1' 16584 BMRB 16581 '2J coupling constants in Frataxin C-terminal domain' 16584 BMRB 16582 '2J coupling constants in Ubiquitin' 16584 BMRB 16583 '2J coupling constants in Xylanase' 16584 BMRB 5618 'Backbone 1H, 13C, 15N and Side Chain 13C Chemical Shift Assignments for DFPase from Loligo vulgaris' 16584 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16584 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20131375 _Citation.Full_citation . _Citation.Title 'Correlation of (2)J couplings with protein secondary structure.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 78 _Citation.Journal_issue 6 _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 1544 _Citation.Page_last 1562 _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 Jurgen Schmidt . M. . 16584 1 2 Yixun Hua . . . 16584 1 3 Frank Lohr . . . 16584 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'data mining' 16584 1 statistics 16584 1 'torsion angles' 16584 1 'two-bond coupling' 16584 1 stop_ save_ save_Permi_&_Annila_2000 _Citation.Sf_category citations _Citation.Sf_framecode Permi_&_Annila_2000 _Citation.Entry_ID 16584 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10805128 _Citation.Full_citation . _Citation.Title 'Transverse relaxation optimised spin-state selective NMR experiments for measurement of residual dipolar couplings' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 221 _Citation.Page_last 227 _Citation.Year 2000 _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 P. Permi . . . 16584 2 2 A. Annila . . . 16584 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '2JCAN_ measurement' 16584 2 '2JCOHN measurement' 16584 2 '2JHNCA measurement' 16584 2 'IPAP method' 16584 2 stop_ save_ save_Permi_2003 _Citation.Sf_category citations _Citation.Sf_framecode Permi_2003 _Citation.Entry_ID 16584 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14512731 _Citation.Full_citation . _Citation.Title 'Measurement of residual dipolar couplings from 1Halpha to 13Calpha and 15N using a simple HNCA-based experiment' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 341 _Citation.Page_last 349 _Citation.Year 2003 _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 P. Permi . . . 16584 3 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '2JN_HA measurement' 16584 3 stop_ save_ save_Wienk_et_al_2003 _Citation.Sf_category citations _Citation.Sf_framecode Wienk_et_al_2003 _Citation.Entry_ID 16584 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12652122 _Citation.Full_citation . _Citation.Title 'Simultaneous measurement of protein one-bond and two-bond nitrogen-carbon coupling constants using an internally referenced quantitative J-correlated [15N,1H]-TROSY-HNC experiment' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 25 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 133 _Citation.Page_last 145 _Citation.Year 2003 _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 H. Wienk . L.J. . 16584 4 2 M. Martinez . M. . 16584 4 3 G. Yalloway . N. . 16584 4 4 J. Schmidt . M. . 16584 4 5 C. Perez . . . 16584 4 6 H. Ruterjans . . . 16584 4 7 F. Lohr . . . 16584 4 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '2JCAN_ measurement' 16584 4 'quantitative J correlation' 16584 4 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16584 _Assembly.ID 1 _Assembly.Name Diisopropylfluorophosphatase _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 35161.4 _Assembly.Enzyme_commission_number 3.1.8.2 _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 protein 1 $DFPase A . yes native no no . . . 16584 1 2 'ion, 1' 2 $CA B . no native no no . . . 16584 1 3 'ion, 2' 2 $CA B . no native no no . . . 16584 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1E1A . . X-ray 1.8 'X-ray structure of Diisopropylfluorophosphatase' . 16584 1 yes PDB 1PJX . . X-ray 0.85 'X-ray structure of Diisopropylfluorophosphatase' . 16584 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID hydrolase 16584 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DFPase _Entity.Sf_category entity _Entity.Sf_framecode DFPase _Entity.Entry_ID 16584 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DFPase _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSMEIPVIEPLFTKVTEDIP GAEGPVFDKNGDFYIVAPEV EVNGKPAGEILRIDLKTGKK TVICKPEVNGYGGIPAGCQC DRDANQLFVADMRLGLLVVQ TDGTFEEIAKKDSEGRRMQG CNDCAFDYEGNLWITAPAGE VAPADYTRSMQEKFGSIYCF TTDGQMIQVDTAFQFPNGIA VRHMNDGRPYQLIVAETPTK KLWSYDIKGPAKIENKKVWG HIPGTHEGGADGMDFDEDNN LLVANWGSSHIEVFGPDGGQ PKMRIRCPFEKPSNLHFKPQ TKTIFVTEHENNAVWKFEWQ RNGKKQYCETLKFGIF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 1 -1 GLY 2 0 SER 3 1 MET 4 2 GLU ... 316 314 PHE ; _Entity.Polymer_author_seq_details 'Leading residues Gly(-1) and Ser(0) are cloning artefacts and do not give NMR signals.' _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 316 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.1.8.2 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 35081.3 _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 15909 . DFPase . . . . . 100.00 316 100.00 100.00 0.00e+00 . . . . 16584 1 2 no PDB 1E1A . "Crystal Structure Of Dfpase From Loligo Vulgaris" . . . . . 99.37 314 100.00 100.00 0.00e+00 . . . . 16584 1 3 no PDB 1PJX . "0.85 Angstrom Structure Of Squid Ganglion Dfpase" . . . . . 99.37 314 100.00 100.00 0.00e+00 . . . . 16584 1 4 no PDB 2GVU . "Crystal Structure Of Diisopropyl Fluorophosphatase (Dfpase), Mutant D229n N120D" . . . . . 99.37 314 99.36 100.00 0.00e+00 . . . . 16584 1 5 no PDB 2GVV . "Structure Of Diisopropyl Fluorophosphatase (Dfpase) In Complex With Dicyclopentylphosphoroamidate (Dcppa)" . . . . . 99.37 314 100.00 100.00 0.00e+00 . . . . 16584 1 6 no PDB 2GVW . "Structure Of Diisopropyl Fluorophosphatase (Dfpase) Holoenzyme (Rt)" . . . . . 99.37 314 100.00 100.00 0.00e+00 . . . . 16584 1 7 no PDB 2GVX . "Structure Of Diisopropyl Fluorophosphatase (Dfpase), Mutant D229n N175D" . . . . . 99.37 314 99.36 100.00 0.00e+00 . . . . 16584 1 8 no PDB 2IAO . "Crystal Structure Of Squid Ganglion Dfpase E37q Mutant" . . . . . 98.73 312 99.68 100.00 0.00e+00 . . . . 16584 1 9 no PDB 2IAP . "Crystal Structure Of Squid Ganglion Dfpase E21q Mutant" . . . . . 98.73 312 99.68 100.00 0.00e+00 . . . . 16584 1 10 no PDB 2IAQ . "Crystal Structure Of Squid Ganglion Dfpase S271a Mutant" . . . . . 98.73 312 99.68 100.00 0.00e+00 . . . . 16584 1 11 no PDB 2IAR . "Crystal Structure Of Squid Ganglion Dfpase W244h Mutant" . . . . . 98.73 312 99.68 99.68 0.00e+00 . . . . 16584 1 12 no PDB 2IAS . "Crystal Structure Of Squid Ganglion Dfpase W244f Mutant" . . . . . 98.73 312 99.68 100.00 0.00e+00 . . . . 16584 1 13 no PDB 2IAT . "Crystal Structure Of Squid Ganglion Dfpase W244l Mutant" . . . . . 98.73 312 99.68 99.68 0.00e+00 . . . . 16584 1 14 no PDB 2IAU . "Crystal Structure Of Squid Ganglion Dfpase W244y Mutant" . . . . . 98.73 312 99.68 100.00 0.00e+00 . . . . 16584 1 15 no PDB 2IAV . "Crystal Structure Of Squid Ganglion Dfpase H287a Mutant" . . . . . 98.73 312 99.68 99.68 0.00e+00 . . . . 16584 1 16 no PDB 2IAW . "Crystal Structure Of Squid Ganglion Dfpase N175d Mutant" . . . . . 98.73 312 99.68 100.00 0.00e+00 . . . . 16584 1 17 no PDB 2IAX . "Crystal Structure Of Squid Ganglion Dfpase D232s Mutant" . . . . . 98.73 312 99.68 99.68 0.00e+00 . . . . 16584 1 18 no PDB 3BYC . "Joint Neutron And X-Ray Structure Of Diisopropyl Fluorophosphatase. Deuterium Occupancies Are 1-Q, Where Q Is Occupancy Of H" . . . . . 99.37 314 100.00 100.00 0.00e+00 . . . . 16584 1 19 no PDB 3HLH . "Diisopropyl Fluorophosphatase (Dfpase), Active Site Mutants" . . . . . 99.37 314 98.73 98.73 0.00e+00 . . . . 16584 1 20 no PDB 3HLI . "Diisopropyl Fluorophosphatase (Dfpase), Active Site Mutants" . . . . . 99.37 314 98.73 99.04 0.00e+00 . . . . 16584 1 21 no PDB 3KGG . "X-Ray Structure Of Perdeuterated Diisopropyl Fluorophosphata (Dfpase): Perdeuteration Of Proteins For Neutron Diffractio" . . . . . 99.37 314 100.00 100.00 0.00e+00 . . . . 16584 1 22 no PDB 3LI3 . "Diisopropyl Fluorophosphatase (Dfpase), D121e Mutant" . . . . . 99.37 314 99.68 100.00 0.00e+00 . . . . 16584 1 23 no PDB 3LI4 . "Diisopropyl Fluorophosphatase (Dfpase), N120d,N175d,D229n Mutant" . . . . . 99.37 314 99.04 100.00 0.00e+00 . . . . 16584 1 24 no PDB 3LI5 . "Diisopropyl Fluorophosphatase (Dfpase), E21q,N120d,N175d,D229n Mutant" . . . . . 99.37 314 98.73 100.00 0.00e+00 . . . . 16584 1 25 no PDB 3O4P . "Dfpase At 0.85 Angstrom Resolution (h Atoms Included)" . . . . . 99.37 314 100.00 100.00 0.00e+00 . . . . 16584 1 26 no SP Q7SIG4 . "RecName: Full=Diisopropyl-fluorophosphatase; Short=DFPase" . . . . . 99.37 314 100.00 100.00 0.00e+00 . . . . 16584 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID hydrolase 16584 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 -1 GLY . 16584 1 2 0 SER . 16584 1 3 1 MET . 16584 1 4 2 GLU . 16584 1 5 3 ILE . 16584 1 6 4 PRO . 16584 1 7 5 VAL . 16584 1 8 6 ILE . 16584 1 9 7 GLU . 16584 1 10 8 PRO . 16584 1 11 9 LEU . 16584 1 12 10 PHE . 16584 1 13 11 THR . 16584 1 14 12 LYS . 16584 1 15 13 VAL . 16584 1 16 14 THR . 16584 1 17 15 GLU . 16584 1 18 16 ASP . 16584 1 19 17 ILE . 16584 1 20 18 PRO . 16584 1 21 19 GLY . 16584 1 22 20 ALA . 16584 1 23 21 GLU . 16584 1 24 22 GLY . 16584 1 25 23 PRO . 16584 1 26 24 VAL . 16584 1 27 25 PHE . 16584 1 28 26 ASP . 16584 1 29 27 LYS . 16584 1 30 28 ASN . 16584 1 31 29 GLY . 16584 1 32 30 ASP . 16584 1 33 31 PHE . 16584 1 34 32 TYR . 16584 1 35 33 ILE . 16584 1 36 34 VAL . 16584 1 37 35 ALA . 16584 1 38 36 PRO . 16584 1 39 37 GLU . 16584 1 40 38 VAL . 16584 1 41 39 GLU . 16584 1 42 40 VAL . 16584 1 43 41 ASN . 16584 1 44 42 GLY . 16584 1 45 43 LYS . 16584 1 46 44 PRO . 16584 1 47 45 ALA . 16584 1 48 46 GLY . 16584 1 49 47 GLU . 16584 1 50 48 ILE . 16584 1 51 49 LEU . 16584 1 52 50 ARG . 16584 1 53 51 ILE . 16584 1 54 52 ASP . 16584 1 55 53 LEU . 16584 1 56 54 LYS . 16584 1 57 55 THR . 16584 1 58 56 GLY . 16584 1 59 57 LYS . 16584 1 60 58 LYS . 16584 1 61 59 THR . 16584 1 62 60 VAL . 16584 1 63 61 ILE . 16584 1 64 62 CYS . 16584 1 65 63 LYS . 16584 1 66 64 PRO . 16584 1 67 65 GLU . 16584 1 68 66 VAL . 16584 1 69 67 ASN . 16584 1 70 68 GLY . 16584 1 71 69 TYR . 16584 1 72 70 GLY . 16584 1 73 71 GLY . 16584 1 74 72 ILE . 16584 1 75 73 PRO . 16584 1 76 74 ALA . 16584 1 77 75 GLY . 16584 1 78 76 CYS . 16584 1 79 77 GLN . 16584 1 80 78 CYS . 16584 1 81 79 ASP . 16584 1 82 80 ARG . 16584 1 83 81 ASP . 16584 1 84 82 ALA . 16584 1 85 83 ASN . 16584 1 86 84 GLN . 16584 1 87 85 LEU . 16584 1 88 86 PHE . 16584 1 89 87 VAL . 16584 1 90 88 ALA . 16584 1 91 89 ASP . 16584 1 92 90 MET . 16584 1 93 91 ARG . 16584 1 94 92 LEU . 16584 1 95 93 GLY . 16584 1 96 94 LEU . 16584 1 97 95 LEU . 16584 1 98 96 VAL . 16584 1 99 97 VAL . 16584 1 100 98 GLN . 16584 1 101 99 THR . 16584 1 102 100 ASP . 16584 1 103 101 GLY . 16584 1 104 102 THR . 16584 1 105 103 PHE . 16584 1 106 104 GLU . 16584 1 107 105 GLU . 16584 1 108 106 ILE . 16584 1 109 107 ALA . 16584 1 110 108 LYS . 16584 1 111 109 LYS . 16584 1 112 110 ASP . 16584 1 113 111 SER . 16584 1 114 112 GLU . 16584 1 115 113 GLY . 16584 1 116 114 ARG . 16584 1 117 115 ARG . 16584 1 118 116 MET . 16584 1 119 117 GLN . 16584 1 120 118 GLY . 16584 1 121 119 CYS . 16584 1 122 120 ASN . 16584 1 123 121 ASP . 16584 1 124 122 CYS . 16584 1 125 123 ALA . 16584 1 126 124 PHE . 16584 1 127 125 ASP . 16584 1 128 126 TYR . 16584 1 129 127 GLU . 16584 1 130 128 GLY . 16584 1 131 129 ASN . 16584 1 132 130 LEU . 16584 1 133 131 TRP . 16584 1 134 132 ILE . 16584 1 135 133 THR . 16584 1 136 134 ALA . 16584 1 137 135 PRO . 16584 1 138 136 ALA . 16584 1 139 137 GLY . 16584 1 140 138 GLU . 16584 1 141 139 VAL . 16584 1 142 140 ALA . 16584 1 143 141 PRO . 16584 1 144 142 ALA . 16584 1 145 143 ASP . 16584 1 146 144 TYR . 16584 1 147 145 THR . 16584 1 148 146 ARG . 16584 1 149 147 SER . 16584 1 150 148 MET . 16584 1 151 149 GLN . 16584 1 152 150 GLU . 16584 1 153 151 LYS . 16584 1 154 152 PHE . 16584 1 155 153 GLY . 16584 1 156 154 SER . 16584 1 157 155 ILE . 16584 1 158 156 TYR . 16584 1 159 157 CYS . 16584 1 160 158 PHE . 16584 1 161 159 THR . 16584 1 162 160 THR . 16584 1 163 161 ASP . 16584 1 164 162 GLY . 16584 1 165 163 GLN . 16584 1 166 164 MET . 16584 1 167 165 ILE . 16584 1 168 166 GLN . 16584 1 169 167 VAL . 16584 1 170 168 ASP . 16584 1 171 169 THR . 16584 1 172 170 ALA . 16584 1 173 171 PHE . 16584 1 174 172 GLN . 16584 1 175 173 PHE . 16584 1 176 174 PRO . 16584 1 177 175 ASN . 16584 1 178 176 GLY . 16584 1 179 177 ILE . 16584 1 180 178 ALA . 16584 1 181 179 VAL . 16584 1 182 180 ARG . 16584 1 183 181 HIS . 16584 1 184 182 MET . 16584 1 185 183 ASN . 16584 1 186 184 ASP . 16584 1 187 185 GLY . 16584 1 188 186 ARG . 16584 1 189 187 PRO . 16584 1 190 188 TYR . 16584 1 191 189 GLN . 16584 1 192 190 LEU . 16584 1 193 191 ILE . 16584 1 194 192 VAL . 16584 1 195 193 ALA . 16584 1 196 194 GLU . 16584 1 197 195 THR . 16584 1 198 196 PRO . 16584 1 199 197 THR . 16584 1 200 198 LYS . 16584 1 201 199 LYS . 16584 1 202 200 LEU . 16584 1 203 201 TRP . 16584 1 204 202 SER . 16584 1 205 203 TYR . 16584 1 206 204 ASP . 16584 1 207 205 ILE . 16584 1 208 206 LYS . 16584 1 209 207 GLY . 16584 1 210 208 PRO . 16584 1 211 209 ALA . 16584 1 212 210 LYS . 16584 1 213 211 ILE . 16584 1 214 212 GLU . 16584 1 215 213 ASN . 16584 1 216 214 LYS . 16584 1 217 215 LYS . 16584 1 218 216 VAL . 16584 1 219 217 TRP . 16584 1 220 218 GLY . 16584 1 221 219 HIS . 16584 1 222 220 ILE . 16584 1 223 221 PRO . 16584 1 224 222 GLY . 16584 1 225 223 THR . 16584 1 226 224 HIS . 16584 1 227 225 GLU . 16584 1 228 226 GLY . 16584 1 229 227 GLY . 16584 1 230 228 ALA . 16584 1 231 229 ASP . 16584 1 232 230 GLY . 16584 1 233 231 MET . 16584 1 234 232 ASP . 16584 1 235 233 PHE . 16584 1 236 234 ASP . 16584 1 237 235 GLU . 16584 1 238 236 ASP . 16584 1 239 237 ASN . 16584 1 240 238 ASN . 16584 1 241 239 LEU . 16584 1 242 240 LEU . 16584 1 243 241 VAL . 16584 1 244 242 ALA . 16584 1 245 243 ASN . 16584 1 246 244 TRP . 16584 1 247 245 GLY . 16584 1 248 246 SER . 16584 1 249 247 SER . 16584 1 250 248 HIS . 16584 1 251 249 ILE . 16584 1 252 250 GLU . 16584 1 253 251 VAL . 16584 1 254 252 PHE . 16584 1 255 253 GLY . 16584 1 256 254 PRO . 16584 1 257 255 ASP . 16584 1 258 256 GLY . 16584 1 259 257 GLY . 16584 1 260 258 GLN . 16584 1 261 259 PRO . 16584 1 262 260 LYS . 16584 1 263 261 MET . 16584 1 264 262 ARG . 16584 1 265 263 ILE . 16584 1 266 264 ARG . 16584 1 267 265 CYS . 16584 1 268 266 PRO . 16584 1 269 267 PHE . 16584 1 270 268 GLU . 16584 1 271 269 LYS . 16584 1 272 270 PRO . 16584 1 273 271 SER . 16584 1 274 272 ASN . 16584 1 275 273 LEU . 16584 1 276 274 HIS . 16584 1 277 275 PHE . 16584 1 278 276 LYS . 16584 1 279 277 PRO . 16584 1 280 278 GLN . 16584 1 281 279 THR . 16584 1 282 280 LYS . 16584 1 283 281 THR . 16584 1 284 282 ILE . 16584 1 285 283 PHE . 16584 1 286 284 VAL . 16584 1 287 285 THR . 16584 1 288 286 GLU . 16584 1 289 287 HIS . 16584 1 290 288 GLU . 16584 1 291 289 ASN . 16584 1 292 290 ASN . 16584 1 293 291 ALA . 16584 1 294 292 VAL . 16584 1 295 293 TRP . 16584 1 296 294 LYS . 16584 1 297 295 PHE . 16584 1 298 296 GLU . 16584 1 299 297 TRP . 16584 1 300 298 GLN . 16584 1 301 299 ARG . 16584 1 302 300 ASN . 16584 1 303 301 GLY . 16584 1 304 302 LYS . 16584 1 305 303 LYS . 16584 1 306 304 GLN . 16584 1 307 305 TYR . 16584 1 308 306 CYS . 16584 1 309 307 GLU . 16584 1 310 308 THR . 16584 1 311 309 LEU . 16584 1 312 310 LYS . 16584 1 313 311 PHE . 16584 1 314 312 GLY . 16584 1 315 313 ILE . 16584 1 316 314 PHE . 16584 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 16584 1 . SER 2 2 16584 1 . MET 3 3 16584 1 . GLU 4 4 16584 1 . ILE 5 5 16584 1 . PRO 6 6 16584 1 . VAL 7 7 16584 1 . ILE 8 8 16584 1 . GLU 9 9 16584 1 . PRO 10 10 16584 1 . LEU 11 11 16584 1 . PHE 12 12 16584 1 . THR 13 13 16584 1 . LYS 14 14 16584 1 . VAL 15 15 16584 1 . THR 16 16 16584 1 . GLU 17 17 16584 1 . ASP 18 18 16584 1 . ILE 19 19 16584 1 . PRO 20 20 16584 1 . GLY 21 21 16584 1 . ALA 22 22 16584 1 . GLU 23 23 16584 1 . GLY 24 24 16584 1 . PRO 25 25 16584 1 . VAL 26 26 16584 1 . PHE 27 27 16584 1 . ASP 28 28 16584 1 . LYS 29 29 16584 1 . ASN 30 30 16584 1 . GLY 31 31 16584 1 . ASP 32 32 16584 1 . PHE 33 33 16584 1 . TYR 34 34 16584 1 . ILE 35 35 16584 1 . VAL 36 36 16584 1 . ALA 37 37 16584 1 . PRO 38 38 16584 1 . GLU 39 39 16584 1 . VAL 40 40 16584 1 . GLU 41 41 16584 1 . VAL 42 42 16584 1 . ASN 43 43 16584 1 . GLY 44 44 16584 1 . LYS 45 45 16584 1 . PRO 46 46 16584 1 . ALA 47 47 16584 1 . GLY 48 48 16584 1 . GLU 49 49 16584 1 . ILE 50 50 16584 1 . LEU 51 51 16584 1 . ARG 52 52 16584 1 . ILE 53 53 16584 1 . ASP 54 54 16584 1 . LEU 55 55 16584 1 . LYS 56 56 16584 1 . THR 57 57 16584 1 . GLY 58 58 16584 1 . LYS 59 59 16584 1 . LYS 60 60 16584 1 . THR 61 61 16584 1 . VAL 62 62 16584 1 . ILE 63 63 16584 1 . CYS 64 64 16584 1 . LYS 65 65 16584 1 . PRO 66 66 16584 1 . GLU 67 67 16584 1 . VAL 68 68 16584 1 . ASN 69 69 16584 1 . GLY 70 70 16584 1 . TYR 71 71 16584 1 . GLY 72 72 16584 1 . GLY 73 73 16584 1 . ILE 74 74 16584 1 . PRO 75 75 16584 1 . ALA 76 76 16584 1 . GLY 77 77 16584 1 . CYS 78 78 16584 1 . GLN 79 79 16584 1 . CYS 80 80 16584 1 . ASP 81 81 16584 1 . ARG 82 82 16584 1 . ASP 83 83 16584 1 . ALA 84 84 16584 1 . ASN 85 85 16584 1 . GLN 86 86 16584 1 . LEU 87 87 16584 1 . PHE 88 88 16584 1 . VAL 89 89 16584 1 . ALA 90 90 16584 1 . ASP 91 91 16584 1 . MET 92 92 16584 1 . ARG 93 93 16584 1 . LEU 94 94 16584 1 . GLY 95 95 16584 1 . LEU 96 96 16584 1 . LEU 97 97 16584 1 . VAL 98 98 16584 1 . VAL 99 99 16584 1 . GLN 100 100 16584 1 . THR 101 101 16584 1 . ASP 102 102 16584 1 . GLY 103 103 16584 1 . THR 104 104 16584 1 . PHE 105 105 16584 1 . GLU 106 106 16584 1 . GLU 107 107 16584 1 . ILE 108 108 16584 1 . ALA 109 109 16584 1 . LYS 110 110 16584 1 . LYS 111 111 16584 1 . ASP 112 112 16584 1 . SER 113 113 16584 1 . GLU 114 114 16584 1 . GLY 115 115 16584 1 . ARG 116 116 16584 1 . ARG 117 117 16584 1 . MET 118 118 16584 1 . GLN 119 119 16584 1 . GLY 120 120 16584 1 . CYS 121 121 16584 1 . ASN 122 122 16584 1 . ASP 123 123 16584 1 . CYS 124 124 16584 1 . ALA 125 125 16584 1 . PHE 126 126 16584 1 . ASP 127 127 16584 1 . TYR 128 128 16584 1 . GLU 129 129 16584 1 . GLY 130 130 16584 1 . ASN 131 131 16584 1 . LEU 132 132 16584 1 . TRP 133 133 16584 1 . ILE 134 134 16584 1 . THR 135 135 16584 1 . ALA 136 136 16584 1 . PRO 137 137 16584 1 . ALA 138 138 16584 1 . GLY 139 139 16584 1 . GLU 140 140 16584 1 . VAL 141 141 16584 1 . ALA 142 142 16584 1 . PRO 143 143 16584 1 . ALA 144 144 16584 1 . ASP 145 145 16584 1 . TYR 146 146 16584 1 . THR 147 147 16584 1 . ARG 148 148 16584 1 . SER 149 149 16584 1 . MET 150 150 16584 1 . GLN 151 151 16584 1 . GLU 152 152 16584 1 . LYS 153 153 16584 1 . PHE 154 154 16584 1 . GLY 155 155 16584 1 . SER 156 156 16584 1 . ILE 157 157 16584 1 . TYR 158 158 16584 1 . CYS 159 159 16584 1 . PHE 160 160 16584 1 . THR 161 161 16584 1 . THR 162 162 16584 1 . ASP 163 163 16584 1 . GLY 164 164 16584 1 . GLN 165 165 16584 1 . MET 166 166 16584 1 . ILE 167 167 16584 1 . GLN 168 168 16584 1 . VAL 169 169 16584 1 . ASP 170 170 16584 1 . THR 171 171 16584 1 . ALA 172 172 16584 1 . PHE 173 173 16584 1 . GLN 174 174 16584 1 . PHE 175 175 16584 1 . PRO 176 176 16584 1 . ASN 177 177 16584 1 . GLY 178 178 16584 1 . ILE 179 179 16584 1 . ALA 180 180 16584 1 . VAL 181 181 16584 1 . ARG 182 182 16584 1 . HIS 183 183 16584 1 . MET 184 184 16584 1 . ASN 185 185 16584 1 . ASP 186 186 16584 1 . GLY 187 187 16584 1 . ARG 188 188 16584 1 . PRO 189 189 16584 1 . TYR 190 190 16584 1 . GLN 191 191 16584 1 . LEU 192 192 16584 1 . ILE 193 193 16584 1 . VAL 194 194 16584 1 . ALA 195 195 16584 1 . GLU 196 196 16584 1 . THR 197 197 16584 1 . PRO 198 198 16584 1 . THR 199 199 16584 1 . LYS 200 200 16584 1 . LYS 201 201 16584 1 . LEU 202 202 16584 1 . TRP 203 203 16584 1 . SER 204 204 16584 1 . TYR 205 205 16584 1 . ASP 206 206 16584 1 . ILE 207 207 16584 1 . LYS 208 208 16584 1 . GLY 209 209 16584 1 . PRO 210 210 16584 1 . ALA 211 211 16584 1 . LYS 212 212 16584 1 . ILE 213 213 16584 1 . GLU 214 214 16584 1 . ASN 215 215 16584 1 . LYS 216 216 16584 1 . LYS 217 217 16584 1 . VAL 218 218 16584 1 . TRP 219 219 16584 1 . GLY 220 220 16584 1 . HIS 221 221 16584 1 . ILE 222 222 16584 1 . PRO 223 223 16584 1 . GLY 224 224 16584 1 . THR 225 225 16584 1 . HIS 226 226 16584 1 . GLU 227 227 16584 1 . GLY 228 228 16584 1 . GLY 229 229 16584 1 . ALA 230 230 16584 1 . ASP 231 231 16584 1 . GLY 232 232 16584 1 . MET 233 233 16584 1 . ASP 234 234 16584 1 . PHE 235 235 16584 1 . ASP 236 236 16584 1 . GLU 237 237 16584 1 . ASP 238 238 16584 1 . ASN 239 239 16584 1 . ASN 240 240 16584 1 . LEU 241 241 16584 1 . LEU 242 242 16584 1 . VAL 243 243 16584 1 . ALA 244 244 16584 1 . ASN 245 245 16584 1 . TRP 246 246 16584 1 . GLY 247 247 16584 1 . SER 248 248 16584 1 . SER 249 249 16584 1 . HIS 250 250 16584 1 . ILE 251 251 16584 1 . GLU 252 252 16584 1 . VAL 253 253 16584 1 . PHE 254 254 16584 1 . GLY 255 255 16584 1 . PRO 256 256 16584 1 . ASP 257 257 16584 1 . GLY 258 258 16584 1 . GLY 259 259 16584 1 . GLN 260 260 16584 1 . PRO 261 261 16584 1 . LYS 262 262 16584 1 . MET 263 263 16584 1 . ARG 264 264 16584 1 . ILE 265 265 16584 1 . ARG 266 266 16584 1 . CYS 267 267 16584 1 . PRO 268 268 16584 1 . PHE 269 269 16584 1 . GLU 270 270 16584 1 . LYS 271 271 16584 1 . PRO 272 272 16584 1 . SER 273 273 16584 1 . ASN 274 274 16584 1 . LEU 275 275 16584 1 . HIS 276 276 16584 1 . PHE 277 277 16584 1 . LYS 278 278 16584 1 . PRO 279 279 16584 1 . GLN 280 280 16584 1 . THR 281 281 16584 1 . LYS 282 282 16584 1 . THR 283 283 16584 1 . ILE 284 284 16584 1 . PHE 285 285 16584 1 . VAL 286 286 16584 1 . THR 287 287 16584 1 . GLU 288 288 16584 1 . HIS 289 289 16584 1 . GLU 290 290 16584 1 . ASN 291 291 16584 1 . ASN 292 292 16584 1 . ALA 293 293 16584 1 . VAL 294 294 16584 1 . TRP 295 295 16584 1 . LYS 296 296 16584 1 . PHE 297 297 16584 1 . GLU 298 298 16584 1 . TRP 299 299 16584 1 . GLN 300 300 16584 1 . ARG 301 301 16584 1 . ASN 302 302 16584 1 . GLY 303 303 16584 1 . LYS 304 304 16584 1 . LYS 305 305 16584 1 . GLN 306 306 16584 1 . TYR 307 307 16584 1 . CYS 308 308 16584 1 . GLU 309 309 16584 1 . THR 310 310 16584 1 . LEU 311 311 16584 1 . LYS 312 312 16584 1 . PHE 313 313 16584 1 . GLY 314 314 16584 1 . ILE 315 315 16584 1 . PHE 316 316 16584 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 16584 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CA . 16584 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16584 _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 $DFPase . 6622 organism . 'Loligo vulgaris' 'Loligo vulgaris' . . Eukaryota Fungi Loligo vulgaris . . . . . . . . . . . . . . . . . . . . . 16584 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 16584 _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 $DFPase . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pKKHisND . . . . . . 16584 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 16584 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYAP InChIKey InChI 1.02b 16584 CA [Ca++] SMILES CACTVS 3.341 16584 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 16584 CA [Ca+2] SMILES ACDLabs 10.04 16584 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 16584 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16584 CA InChI=1/Ca/q+2 InChI InChI 1.02b 16584 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 16584 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16584 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 16584 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16584 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 DFPase '[U-95% 13C; U-95% 15N]' . . 1 $DFPase . . 1.6 . . mM . . . . 16584 1 2 'calcium chloride' 'natural abundance' . . 2 $CA . . 5 . . mM . . . . 16584 1 3 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 16584 1 4 'Pefabloc protease inhibitor' 'natural abundance' . . . . . . 50 . . ug/ml . . . . 16584 1 5 D2O [U-2H] . . . . . . 5 . . % . . . . 16584 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16584 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16584 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 DFPase '[U-95% 13C; U-95% 15N; 90% 2H]' . . 1 $DFPase . . 0.75 . . mM . . . . 16584 2 2 'calcium chloride' 'natural abundance' . . 2 $CA . . 5 . . mM . . . . 16584 2 3 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 16584 2 4 'Pefabloc protease inhibitor' 'natural abundance' . . . . . . 50 . . ug/ml . . . . 16584 2 5 D2O [U-2H] . . . . . . 5 . . % . . . . 16584 2 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16584 2 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 16584 _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 pH 6.5 . pH 16584 1 pressure 1 . atm 16584 1 temperature 301 . K 16584 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 16584 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16584 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16584 1 processing 16584 1 stop_ save_ save_jeval _Software.Sf_category software _Software.Sf_framecode jeval _Software.Entry_ID 16584 _Software.ID 2 _Software.Name jeval _Software.Version . _Software.Details 'Matlab-based suite of utilities for the display, selection, and simulation of 2D multiplet projections from multi-dimensional NMR spectra' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'JM Schmidt' 'Dept. of Biosciences, University of Kent, Canterbury, Kent CT2 7NJ, United Kingdom' j.m.schmidt@kent.ac.uk 16584 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'coupling constant extraction' 16584 2 'data analysis' 16584 2 'multiplet simulation' 16584 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16584 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '1H{13C,15N}-triple-resonance three-axis PFG probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16584 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details '1H{13C,15N}-triple-resonance three-axis PFG probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16584 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'room-temperature and cryogenic triple-resonance z-gradient probes' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16584 _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 DRX . 500 '1H{13C,15N}-triple-resonance three-axis PFG probe' . . 16584 1 2 spectrometer_2 Bruker DMX . 600 '1H{13C,15N}-triple-resonance three-axis PFG probe' . . 16584 1 3 spectrometer_3 Bruker Avance . 800 'room-temperature and cryogenic triple-resonance z-gradient probes' . . 16584 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 16584 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D Ca-coupled [15N,1H]-TROSY-HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16584 1 2 '2D IPAP-type HN(CO-a/b-NCa-J)-TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16584 1 3 '2D IPAP-type HN(a/b-NCO-J)-TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16584 1 4 '3D Ha-coupled [15N,1H]-TROSY-iHNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16584 1 5 '3D quantitative J-correlated [15N,1H]-TROSY-HNC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16584 1 stop_ save_ save_3D_Ca-coupled_(15N_1H)-TROSY-HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_Ca-coupled_(15N_1H)-TROSY-HNCO _NMR_spec_expt.Entry_ID 16584 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D Ca-coupled [15N,1H]-TROSY-HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details '2JCAN_ measurement' save_ save_2D_IPAP-type_HN(CO-a_b-NCa-J)-TROSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_IPAP-type_HN(CO-a_b-NCa-J)-TROSY _NMR_spec_expt.Entry_ID 16584 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D IPAP-type HN(CO-a/b-NCa-J)-TROSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details ; Permi and Annila, 2000; 2JCAN_ and 2JHNCA measurement; 250-ms 15N evolution ; save_ save_2D_IPAP-type_HN(a_b-NCO-J)-TROSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_IPAP-type_HN(a_b-NCO-J)-TROSY _NMR_spec_expt.Entry_ID 16584 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D IPAP-type HN(a/b-NCO-J)-TROSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details ; Permi and Annila, 2000; 2JCOHN measurement; 250-ms 15N evolution ; save_ save_3D_Ha-coupled_(15N_1H)-TROSY-iHNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_Ha-coupled_(15N_1H)-TROSY-iHNCA _NMR_spec_expt.Entry_ID 16584 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D Ha-coupled [15N,1H]-TROSY-iHNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details ; Permi, 2003; 2JN_HA measurement; 14-ms variable-time 13Ca evolution, 50-ms 15N evolution ; save_ save_3D_quantitative_J-correlated_(15N_1H)-TROSY-HNC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_quantitative_J-correlated_(15N_1H)-TROSY-HNC _NMR_spec_expt.Entry_ID 16584 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D quantitative J-correlated [15N,1H]-TROSY-HNC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details ; Wienk et al., 2003; 2JCAN_ measurement ; save_ ######################## # Coupling constants # ######################## save_2JCaN_ _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 2JCaN_ _Coupling_constant_list.Entry_ID 16584 _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 500 _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 1 '3D Ca-coupled [15N,1H]-TROSY-HNCO' . . . 16584 1 2 '2D IPAP-type HN(CO-a/b-NCa-J)-TROSY' . . . 16584 1 5 '3D quantitative J-correlated [15N,1H]-TROSY-HNC' . . . 16584 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 2JCAN_ . 1 1 3 3 MET CA C 13 1 . 1 1 4 4 GLU N N 15 1 -7.49 . . 0.50 . . 1 1 Met Ca 1 2 Glu N . 16584 1 2 2JCAN_ . 1 1 4 4 GLU CA C 13 1 . 1 1 5 5 ILE N N 15 1 -7.93 . . 0.50 . . 1 2 Glu Ca 1 3 Ile N . 16584 1 3 2JCAN_ . 1 1 6 6 PRO CA C 13 1 . 1 1 7 7 VAL N N 15 1 -9.80 . . 0.50 . . 1 4 Pro Ca 1 5 Val N . 16584 1 4 2JCAN_ . 1 1 7 7 VAL CA C 13 1 . 1 1 8 8 ILE N N 15 1 -7.90 . . 0.50 . . 1 5 Val Ca 1 6 Ile N . 16584 1 5 2JCAN_ . 1 1 8 8 ILE CA C 13 1 . 1 1 9 9 GLU N N 15 1 -8.99 . . 0.50 . . 1 6 Ile Ca 1 7 Glu N . 16584 1 6 2JCAN_ . 1 1 10 10 PRO CA C 13 1 . 1 1 11 11 LEU N N 15 1 -9.23 . . 0.50 . . 1 8 Pro Ca 1 9 Leu N . 16584 1 7 2JCAN_ . 1 1 11 11 LEU CA C 13 1 . 1 1 12 12 PHE N N 15 1 -8.25 . . 0.50 . . 1 9 Leu Ca 1 10 Phe N . 16584 1 8 2JCAN_ . 1 1 12 12 PHE CA C 13 1 . 1 1 13 13 THR N N 15 1 -9.40 . . 0.50 . . 1 10 Phe Ca 1 11 Thr N . 16584 1 9 2JCAN_ . 1 1 13 13 THR CA C 13 1 . 1 1 14 14 LYS N N 15 1 -7.93 . . 0.50 . . 1 11 Thr Ca 1 12 Lys N . 16584 1 10 2JCAN_ . 1 1 14 14 LYS CA C 13 1 . 1 1 15 15 VAL N N 15 1 -8.84 . . 0.50 . . 1 12 Lys Ca 1 13 Val N . 16584 1 11 2JCAN_ . 1 1 15 15 VAL CA C 13 1 . 1 1 16 16 THR N N 15 1 -6.49 . . 0.50 . . 1 13 Val Ca 1 14 Thr N . 16584 1 12 2JCAN_ . 1 1 16 16 THR CA C 13 1 . 1 1 17 17 GLU N N 15 1 -7.42 . . 0.50 . . 1 14 Thr Ca 1 15 Glu N . 16584 1 13 2JCAN_ . 1 1 17 17 GLU CA C 13 1 . 1 1 18 18 ASP N N 15 1 -9.13 . . 0.50 . . 1 15 Glu Ca 1 16 Asp N . 16584 1 14 2JCAN_ . 1 1 18 18 ASP CA C 13 1 . 1 1 19 19 ILE N N 15 1 -7.43 . . 0.50 . . 1 16 Asp Ca 1 17 Ile N . 16584 1 15 2JCAN_ . 1 1 20 20 PRO CA C 13 1 . 1 1 21 21 GLY N N 15 1 -9.10 . . 0.50 . . 1 18 Pro Ca 1 19 Gly N . 16584 1 16 2JCAN_ . 1 1 21 21 GLY CA C 13 1 . 1 1 22 22 ALA N N 15 1 -7.33 . . 0.50 . . 1 19 Gly Ca 1 20 Ala N . 16584 1 17 2JCAN_ . 1 1 23 23 GLU CA C 13 1 . 1 1 24 24 GLY N N 15 1 -8.78 . . 0.50 . . 1 21 Glu Ca 1 22 Gly N . 16584 1 18 2JCAN_ . 1 1 26 26 VAL CA C 13 1 . 1 1 27 27 PHE N N 15 1 -6.45 . . 0.50 . . 1 24 Val Ca 1 25 Phe N . 16584 1 19 2JCAN_ . 1 1 28 28 ASP CA C 13 1 . 1 1 29 29 LYS N N 15 1 -8.53 . . 0.50 . . 1 26 Asp Ca 1 27 Lys N . 16584 1 20 2JCAN_ . 1 1 29 29 LYS CA C 13 1 . 1 1 30 30 ASN N N 15 1 -6.17 . . 0.50 . . 1 27 Lys Ca 1 28 Asn N . 16584 1 21 2JCAN_ . 1 1 30 30 ASN CA C 13 1 . 1 1 31 31 GLY N N 15 1 -6.61 . . 0.50 . . 1 28 Asn Ca 1 29 Gly N . 16584 1 22 2JCAN_ . 1 1 31 31 GLY CA C 13 1 . 1 1 32 32 ASP N N 15 1 -6.39 . . 0.50 . . 1 29 Gly Ca 1 30 Asp N . 16584 1 23 2JCAN_ . 1 1 32 32 ASP CA C 13 1 . 1 1 33 33 PHE N N 15 1 -9.53 . . 0.50 . . 1 30 Asp Ca 1 31 Phe N . 16584 1 24 2JCAN_ . 1 1 39 39 GLU CA C 13 1 . 1 1 40 40 VAL N N 15 1 -5.23 . . 0.50 . . 1 37 Glu Ca 1 38 Val N . 16584 1 25 2JCAN_ . 1 1 40 40 VAL CA C 13 1 . 1 1 41 41 GLU N N 15 1 -8.24 . . 0.50 . . 1 38 Val Ca 1 39 Glu N . 16584 1 26 2JCAN_ . 1 1 41 41 GLU CA C 13 1 . 1 1 42 42 VAL N N 15 1 -8.84 . . 0.50 . . 1 39 Glu Ca 1 40 Val N . 16584 1 27 2JCAN_ . 1 1 43 43 ASN CA C 13 1 . 1 1 44 44 GLY N N 15 1 -7.25 . . 0.50 . . 1 41 Asn Ca 1 42 Gly N . 16584 1 28 2JCAN_ . 1 1 44 44 GLY CA C 13 1 . 1 1 45 45 LYS N N 15 1 -6.65 . . 0.50 . . 1 42 Gly Ca 1 43 Lys N . 16584 1 29 2JCAN_ . 1 1 46 46 PRO CA C 13 1 . 1 1 47 47 ALA N N 15 1 -9.34 . . 0.50 . . 1 44 Pro Ca 1 45 Ala N . 16584 1 30 2JCAN_ . 1 1 47 47 ALA CA C 13 1 . 1 1 48 48 GLY N N 15 1 -7.00 . . 0.50 . . 1 45 Ala Ca 1 46 Gly N . 16584 1 31 2JCAN_ . 1 1 48 48 GLY CA C 13 1 . 1 1 49 49 GLU N N 15 1 -11.34 . . 0.50 . . 1 46 Gly Ca 1 47 Glu N . 16584 1 32 2JCAN_ . 1 1 52 52 ARG CA C 13 1 . 1 1 53 53 ILE N N 15 1 -8.46 . . 0.50 . . 1 50 Arg Ca 1 51 Ile N . 16584 1 33 2JCAN_ . 1 1 53 53 ILE CA C 13 1 . 1 1 54 54 ASP N N 15 1 -8.18 . . 0.50 . . 1 51 Ile Ca 1 52 Asp N . 16584 1 34 2JCAN_ . 1 1 54 54 ASP CA C 13 1 . 1 1 55 55 LEU N N 15 1 -8.12 . . 0.50 . . 1 52 Asp Ca 1 53 Leu N . 16584 1 35 2JCAN_ . 1 1 55 55 LEU CA C 13 1 . 1 1 56 56 LYS N N 15 1 -6.13 . . 0.50 . . 1 53 Leu Ca 1 54 Lys N . 16584 1 36 2JCAN_ . 1 1 56 56 LYS CA C 13 1 . 1 1 57 57 THR N N 15 1 -6.29 . . 0.50 . . 1 54 Lys Ca 1 55 Thr N . 16584 1 37 2JCAN_ . 1 1 57 57 THR CA C 13 1 . 1 1 58 58 GLY N N 15 1 -5.70 . . 0.50 . . 1 55 Thr Ca 1 56 Gly N . 16584 1 38 2JCAN_ . 1 1 58 58 GLY CA C 13 1 . 1 1 59 59 LYS N N 15 1 -6.62 . . 0.50 . . 1 56 Gly Ca 1 57 Lys N . 16584 1 39 2JCAN_ . 1 1 59 59 LYS CA C 13 1 . 1 1 60 60 LYS N N 15 1 -9.05 . . 0.50 . . 1 57 Lys Ca 1 58 Lys N . 16584 1 40 2JCAN_ . 1 1 60 60 LYS CA C 13 1 . 1 1 61 61 THR N N 15 1 -9.31 . . 0.50 . . 1 58 Lys Ca 1 59 Thr N . 16584 1 41 2JCAN_ . 1 1 61 61 THR CA C 13 1 . 1 1 62 62 VAL N N 15 1 -7.75 . . 0.50 . . 1 59 Thr Ca 1 60 Val N . 16584 1 42 2JCAN_ . 1 1 62 62 VAL CA C 13 1 . 1 1 63 63 ILE N N 15 1 -8.19 . . 0.50 . . 1 60 Val Ca 1 61 Ile N . 16584 1 43 2JCAN_ . 1 1 63 63 ILE CA C 13 1 . 1 1 64 64 CYS N N 15 1 -6.16 . . 0.50 . . 1 61 Ile Ca 1 62 Cys N . 16584 1 44 2JCAN_ . 1 1 64 64 CYS CA C 13 1 . 1 1 65 65 LYS N N 15 1 -8.52 . . 0.50 . . 1 62 Cys Ca 1 63 Lys N . 16584 1 45 2JCAN_ . 1 1 66 66 PRO CA C 13 1 . 1 1 67 67 GLU N N 15 1 -9.24 . . 0.50 . . 1 64 Pro Ca 1 65 Glu N . 16584 1 46 2JCAN_ . 1 1 67 67 GLU CA C 13 1 . 1 1 68 68 VAL N N 15 1 -8.23 . . 0.50 . . 1 65 Glu Ca 1 66 Val N . 16584 1 47 2JCAN_ . 1 1 68 68 VAL CA C 13 1 . 1 1 69 69 ASN N N 15 1 -7.93 . . 0.50 . . 1 66 Val Ca 1 67 Asn N . 16584 1 48 2JCAN_ . 1 1 69 69 ASN CA C 13 1 . 1 1 70 70 GLY N N 15 1 -7.31 . . 0.50 . . 1 67 Asn Ca 1 68 Gly N . 16584 1 49 2JCAN_ . 1 1 70 70 GLY CA C 13 1 . 1 1 71 71 TYR N N 15 1 -6.43 . . 0.50 . . 1 68 Gly Ca 1 69 Tyr N . 16584 1 50 2JCAN_ . 1 1 71 71 TYR CA C 13 1 . 1 1 72 72 GLY N N 15 1 -9.32 . . 0.50 . . 1 69 Tyr Ca 1 70 Gly N . 16584 1 51 2JCAN_ . 1 1 72 72 GLY CA C 13 1 . 1 1 73 73 GLY N N 15 1 -10.19 . . 0.50 . . 1 70 Gly Ca 1 71 Gly N . 16584 1 52 2JCAN_ . 1 1 77 77 GLY CA C 13 1 . 1 1 78 78 CYS N N 15 1 -10.24 . . 0.50 . . 1 75 Gly Ca 1 76 Cys N . 16584 1 53 2JCAN_ . 1 1 79 79 GLN CA C 13 1 . 1 1 80 80 CYS N N 15 1 -8.42 . . 0.50 . . 1 77 Gln Ca 1 78 Cys N . 16584 1 54 2JCAN_ . 1 1 80 80 CYS CA C 13 1 . 1 1 81 81 ASP N N 15 1 -8.16 . . 0.50 . . 1 78 Cys Ca 1 79 Asp N . 16584 1 55 2JCAN_ . 1 1 81 81 ASP CA C 13 1 . 1 1 82 82 ARG N N 15 1 -9.57 . . 0.50 . . 1 79 Asp Ca 1 80 Arg N . 16584 1 56 2JCAN_ . 1 1 82 82 ARG CA C 13 1 . 1 1 83 83 ASP N N 15 1 -6.30 . . 0.50 . . 1 80 Arg Ca 1 81 Asp N . 16584 1 57 2JCAN_ . 1 1 83 83 ASP CA C 13 1 . 1 1 84 84 ALA N N 15 1 -6.00 . . 0.50 . . 1 81 Asp Ca 1 82 Ala N . 16584 1 58 2JCAN_ . 1 1 84 84 ALA CA C 13 1 . 1 1 85 85 ASN N N 15 1 -8.55 . . 0.50 . . 1 82 Ala Ca 1 83 Asn N . 16584 1 59 2JCAN_ . 1 1 85 85 ASN CA C 13 1 . 1 1 86 86 GLN N N 15 1 -8.56 . . 0.50 . . 1 83 Asn Ca 1 84 Gln N . 16584 1 60 2JCAN_ . 1 1 95 95 GLY CA C 13 1 . 1 1 96 96 LEU N N 15 1 -9.61 . . 0.50 . . 1 93 Gly Ca 1 94 Leu N . 16584 1 61 2JCAN_ . 1 1 99 99 VAL CA C 13 1 . 1 1 100 100 GLN N N 15 1 -8.84 . . 0.50 . . 1 97 Val Ca 1 98 Gln N . 16584 1 62 2JCAN_ . 1 1 100 100 GLN CA C 13 1 . 1 1 101 101 THR N N 15 1 -8.88 . . 0.50 . . 1 98 Gln Ca 1 99 Thr N . 16584 1 63 2JCAN_ . 1 1 101 101 THR CA C 13 1 . 1 1 102 102 ASP N N 15 1 -5.80 . . 0.50 . . 1 99 Thr Ca 1 100 Asp N . 16584 1 64 2JCAN_ . 1 1 102 102 ASP CA C 13 1 . 1 1 103 103 GLY N N 15 1 -6.31 . . 0.50 . . 1 100 Asp Ca 1 101 Gly N . 16584 1 65 2JCAN_ . 1 1 103 103 GLY CA C 13 1 . 1 1 104 104 THR N N 15 1 -6.69 . . 0.50 . . 1 101 Gly Ca 1 102 Thr N . 16584 1 66 2JCAN_ . 1 1 104 104 THR CA C 13 1 . 1 1 105 105 PHE N N 15 1 -8.52 . . 0.50 . . 1 102 Thr Ca 1 103 Phe N . 16584 1 67 2JCAN_ . 1 1 105 105 PHE CA C 13 1 . 1 1 106 106 GLU N N 15 1 -9.12 . . 0.50 . . 1 103 Phe Ca 1 104 Glu N . 16584 1 68 2JCAN_ . 1 1 106 106 GLU CA C 13 1 . 1 1 107 107 GLU N N 15 1 -8.80 . . 0.50 . . 1 104 Glu Ca 1 105 Glu N . 16584 1 69 2JCAN_ . 1 1 107 107 GLU CA C 13 1 . 1 1 108 108 ILE N N 15 1 -8.58 . . 0.50 . . 1 105 Glu Ca 1 106 Ile N . 16584 1 70 2JCAN_ . 1 1 108 108 ILE CA C 13 1 . 1 1 109 109 ALA N N 15 1 -6.85 . . 0.50 . . 1 106 Ile Ca 1 107 Ala N . 16584 1 71 2JCAN_ . 1 1 109 109 ALA CA C 13 1 . 1 1 110 110 LYS N N 15 1 -9.01 . . 0.50 . . 1 107 Ala Ca 1 108 Lys N . 16584 1 72 2JCAN_ . 1 1 110 110 LYS CA C 13 1 . 1 1 111 111 LYS N N 15 1 -6.27 . . 0.50 . . 1 108 Lys Ca 1 109 Lys N . 16584 1 73 2JCAN_ . 1 1 111 111 LYS CA C 13 1 . 1 1 112 112 ASP N N 15 1 -8.49 . . 0.50 . . 1 109 Lys Ca 1 110 Asp N . 16584 1 74 2JCAN_ . 1 1 112 112 ASP CA C 13 1 . 1 1 113 113 SER N N 15 1 -8.44 . . 0.50 . . 1 110 Asp Ca 1 111 Ser N . 16584 1 75 2JCAN_ . 1 1 113 113 SER CA C 13 1 . 1 1 114 114 GLU N N 15 1 -5.56 . . 0.50 . . 1 111 Ser Ca 1 112 Glu N . 16584 1 76 2JCAN_ . 1 1 114 114 GLU CA C 13 1 . 1 1 115 115 GLY N N 15 1 -6.55 . . 0.50 . . 1 112 Glu Ca 1 113 Gly N . 16584 1 77 2JCAN_ . 1 1 115 115 GLY CA C 13 1 . 1 1 116 116 ARG N N 15 1 -6.47 . . 0.50 . . 1 113 Gly Ca 1 114 Arg N . 16584 1 78 2JCAN_ . 1 1 116 116 ARG CA C 13 1 . 1 1 117 117 ARG N N 15 1 -8.54 . . 0.50 . . 1 114 Arg Ca 1 115 Arg N . 16584 1 79 2JCAN_ . 1 1 117 117 ARG CA C 13 1 . 1 1 118 118 MET N N 15 1 -8.80 . . 0.50 . . 1 115 Arg Ca 1 116 Met N . 16584 1 80 2JCAN_ . 1 1 118 118 MET CA C 13 1 . 1 1 119 119 GLN N N 15 1 -9.66 . . 0.50 . . 1 116 Met Ca 1 117 Gln N . 16584 1 81 2JCAN_ . 1 1 119 119 GLN CA C 13 1 . 1 1 120 120 GLY N N 15 1 -9.72 . . 0.50 . . 1 117 Gln Ca 1 118 Gly N . 16584 1 82 2JCAN_ . 1 1 122 122 ASN CA C 13 1 . 1 1 123 123 ASP N N 15 1 -7.81 . . 0.50 . . 1 120 Asn Ca 1 121 Asp N . 16584 1 83 2JCAN_ . 1 1 125 125 ALA CA C 13 1 . 1 1 126 126 PHE N N 15 1 -8.54 . . 0.50 . . 1 123 Ala Ca 1 124 Phe N . 16584 1 84 2JCAN_ . 1 1 127 127 ASP CA C 13 1 . 1 1 128 128 TYR N N 15 1 -8.92 . . 0.50 . . 1 125 Asp Ca 1 126 Tyr N . 16584 1 85 2JCAN_ . 1 1 128 128 TYR CA C 13 1 . 1 1 129 129 GLU N N 15 1 -6.50 . . 0.50 . . 1 126 Tyr Ca 1 127 Glu N . 16584 1 86 2JCAN_ . 1 1 129 129 GLU CA C 13 1 . 1 1 130 130 GLY N N 15 1 -6.55 . . 0.50 . . 1 127 Glu Ca 1 128 Gly N . 16584 1 87 2JCAN_ . 1 1 137 137 PRO CA C 13 1 . 1 1 138 138 ALA N N 15 1 -5.75 . . 0.50 . . 1 135 Pro Ca 1 136 Ala N . 16584 1 88 2JCAN_ . 1 1 138 138 ALA CA C 13 1 . 1 1 139 139 GLY N N 15 1 -9.45 . . 0.50 . . 1 136 Ala Ca 1 137 Gly N . 16584 1 89 2JCAN_ . 1 1 139 139 GLY CA C 13 1 . 1 1 140 140 GLU N N 15 1 -9.77 . . 0.50 . . 1 137 Gly Ca 1 138 Glu N . 16584 1 90 2JCAN_ . 1 1 140 140 GLU CA C 13 1 . 1 1 141 141 VAL N N 15 1 -9.07 . . 0.50 . . 1 138 Glu Ca 1 139 Val N . 16584 1 91 2JCAN_ . 1 1 141 141 VAL CA C 13 1 . 1 1 142 142 ALA N N 15 1 -8.69 . . 0.50 . . 1 139 Val Ca 1 140 Ala N . 16584 1 92 2JCAN_ . 1 1 143 143 PRO CA C 13 1 . 1 1 144 144 ALA N N 15 1 -5.75 . . 0.50 . . 1 141 Pro Ca 1 142 Ala N . 16584 1 93 2JCAN_ . 1 1 144 144 ALA CA C 13 1 . 1 1 145 145 ASP N N 15 1 -8.87 . . 0.50 . . 1 142 Ala Ca 1 143 Asp N . 16584 1 94 2JCAN_ . 1 1 145 145 ASP CA C 13 1 . 1 1 146 146 TYR N N 15 1 -8.95 . . 0.50 . . 1 143 Asp Ca 1 144 Tyr N . 16584 1 95 2JCAN_ . 1 1 146 146 TYR CA C 13 1 . 1 1 147 147 THR N N 15 1 -8.52 . . 0.50 . . 1 144 Tyr Ca 1 145 Thr N . 16584 1 96 2JCAN_ . 1 1 147 147 THR CA C 13 1 . 1 1 148 148 ARG N N 15 1 -8.86 . . 0.50 . . 1 145 Thr Ca 1 146 Arg N . 16584 1 97 2JCAN_ . 1 1 148 148 ARG CA C 13 1 . 1 1 149 149 SER N N 15 1 -8.77 . . 0.50 . . 1 146 Arg Ca 1 147 Ser N . 16584 1 98 2JCAN_ . 1 1 150 150 MET CA C 13 1 . 1 1 151 151 GLN N N 15 1 -6.55 . . 0.50 . . 1 148 Met Ca 1 149 Gln N . 16584 1 99 2JCAN_ . 1 1 151 151 GLN CA C 13 1 . 1 1 152 152 GLU N N 15 1 -6.68 . . 0.50 . . 1 149 Gln Ca 1 150 Glu N . 16584 1 100 2JCAN_ . 1 1 152 152 GLU CA C 13 1 . 1 1 153 153 LYS N N 15 1 -9.18 . . 0.50 . . 1 150 Glu Ca 1 151 Lys N . 16584 1 101 2JCAN_ . 1 1 153 153 LYS CA C 13 1 . 1 1 154 154 PHE N N 15 1 -8.39 . . 0.50 . . 1 151 Lys Ca 1 152 Phe N . 16584 1 102 2JCAN_ . 1 1 154 154 PHE CA C 13 1 . 1 1 155 155 GLY N N 15 1 -6.09 . . 0.50 . . 1 152 Phe Ca 1 153 Gly N . 16584 1 103 2JCAN_ . 1 1 155 155 GLY CA C 13 1 . 1 1 156 156 SER N N 15 1 -9.05 . . 0.50 . . 1 153 Gly Ca 1 154 Ser N . 16584 1 104 2JCAN_ . 1 1 160 160 PHE CA C 13 1 . 1 1 161 161 THR N N 15 1 -8.13 . . 0.50 . . 1 158 Phe Ca 1 159 Thr N . 16584 1 105 2JCAN_ . 1 1 161 161 THR CA C 13 1 . 1 1 162 162 THR N N 15 1 -8.68 . . 0.50 . . 1 159 Thr Ca 1 160 Thr N . 16584 1 106 2JCAN_ . 1 1 162 162 THR CA C 13 1 . 1 1 163 163 ASP N N 15 1 -5.61 . . 0.50 . . 1 160 Thr Ca 1 161 Asp N . 16584 1 107 2JCAN_ . 1 1 163 163 ASP CA C 13 1 . 1 1 164 164 GLY N N 15 1 -6.51 . . 0.50 . . 1 161 Asp Ca 1 162 Gly N . 16584 1 108 2JCAN_ . 1 1 164 164 GLY CA C 13 1 . 1 1 165 165 GLN N N 15 1 -6.65 . . 0.50 . . 1 162 Gly Ca 1 163 Gln N . 16584 1 109 2JCAN_ . 1 1 165 165 GLN CA C 13 1 . 1 1 166 166 MET N N 15 1 -9.48 . . 0.50 . . 1 163 Gln Ca 1 164 Met N . 16584 1 110 2JCAN_ . 1 1 167 167 ILE CA C 13 1 . 1 1 168 168 GLN N N 15 1 -7.95 . . 0.50 . . 1 165 Ile Ca 1 166 Gln N . 16584 1 111 2JCAN_ . 1 1 169 169 VAL CA C 13 1 . 1 1 170 170 ASP N N 15 1 -6.05 . . 0.50 . . 1 167 Val Ca 1 168 Asp N . 16584 1 112 2JCAN_ . 1 1 170 170 ASP CA C 13 1 . 1 1 171 171 THR N N 15 1 -8.39 . . 0.50 . . 1 168 Asp Ca 1 169 Thr N . 16584 1 113 2JCAN_ . 1 1 171 171 THR CA C 13 1 . 1 1 172 172 ALA N N 15 1 -7.35 . . 0.50 . . 1 169 Thr Ca 1 170 Ala N . 16584 1 114 2JCAN_ . 1 1 172 172 ALA CA C 13 1 . 1 1 173 173 PHE N N 15 1 -6.61 . . 0.50 . . 1 170 Ala Ca 1 171 Phe N . 16584 1 115 2JCAN_ . 1 1 173 173 PHE CA C 13 1 . 1 1 174 174 GLN N N 15 1 -8.91 . . 0.50 . . 1 171 Phe Ca 1 172 Gln N . 16584 1 116 2JCAN_ . 1 1 174 174 GLN CA C 13 1 . 1 1 175 175 PHE N N 15 1 -8.39 . . 0.50 . . 1 172 Gln Ca 1 173 Phe N . 16584 1 117 2JCAN_ . 1 1 176 176 PRO CA C 13 1 . 1 1 177 177 ASN N N 15 1 -9.57 . . 0.50 . . 1 174 Pro Ca 1 175 Asn N . 16584 1 118 2JCAN_ . 1 1 180 180 ALA CA C 13 1 . 1 1 181 181 VAL N N 15 1 -8.79 . . 0.50 . . 1 178 Ala Ca 1 179 Val N . 16584 1 119 2JCAN_ . 1 1 182 182 ARG CA C 13 1 . 1 1 183 183 HIS N N 15 1 -8.27 . . 0.50 . . 1 180 Arg Ca 1 181 His N . 16584 1 120 2JCAN_ . 1 1 183 183 HIS CA C 13 1 . 1 1 184 184 MET N N 15 1 -8.92 . . 0.50 . . 1 181 His Ca 1 182 Met N . 16584 1 121 2JCAN_ . 1 1 185 185 ASN CA C 13 1 . 1 1 186 186 ASP N N 15 1 -6.83 . . 0.50 . . 1 183 Asn Ca 1 184 Asp N . 16584 1 122 2JCAN_ . 1 1 186 186 ASP CA C 13 1 . 1 1 187 187 GLY N N 15 1 -6.46 . . 0.50 . . 1 184 Asp Ca 1 185 Gly N . 16584 1 123 2JCAN_ . 1 1 187 187 GLY CA C 13 1 . 1 1 188 188 ARG N N 15 1 -6.91 . . 0.50 . . 1 185 Gly Ca 1 186 Arg N . 16584 1 124 2JCAN_ . 1 1 189 189 PRO CA C 13 1 . 1 1 190 190 TYR N N 15 1 -9.45 . . 0.50 . . 1 187 Pro Ca 1 188 Tyr N . 16584 1 125 2JCAN_ . 1 1 190 190 TYR CA C 13 1 . 1 1 191 191 GLN N N 15 1 -6.02 . . 0.50 . . 1 188 Tyr Ca 1 189 Gln N . 16584 1 126 2JCAN_ . 1 1 195 195 ALA CA C 13 1 . 1 1 196 196 GLU N N 15 1 -9.39 . . 0.50 . . 1 193 Ala Ca 1 194 Glu N . 16584 1 127 2JCAN_ . 1 1 196 196 GLU CA C 13 1 . 1 1 197 197 THR N N 15 1 -8.53 . . 0.50 . . 1 194 Glu Ca 1 195 Thr N . 16584 1 128 2JCAN_ . 1 1 198 198 PRO CA C 13 1 . 1 1 199 199 THR N N 15 1 -6.31 . . 0.50 . . 1 196 Pro Ca 1 197 Thr N . 16584 1 129 2JCAN_ . 1 1 199 199 THR CA C 13 1 . 1 1 200 200 LYS N N 15 1 -5.74 . . 0.50 . . 1 197 Thr Ca 1 198 Lys N . 16584 1 130 2JCAN_ . 1 1 200 200 LYS CA C 13 1 . 1 1 201 201 LYS N N 15 1 -6.14 . . 0.50 . . 1 198 Lys Ca 1 199 Lys N . 16584 1 131 2JCAN_ . 1 1 201 201 LYS CA C 13 1 . 1 1 202 202 LEU N N 15 1 -10.42 . . 0.50 . . 1 199 Lys Ca 1 200 Leu N . 16584 1 132 2JCAN_ . 1 1 205 205 TYR CA C 13 1 . 1 1 206 206 ASP N N 15 1 -8.02 . . 0.50 . . 1 203 Tyr Ca 1 204 Asp N . 16584 1 133 2JCAN_ . 1 1 206 206 ASP CA C 13 1 . 1 1 207 207 ILE N N 15 1 -8.92 . . 0.50 . . 1 204 Asp Ca 1 205 Ile N . 16584 1 134 2JCAN_ . 1 1 207 207 ILE CA C 13 1 . 1 1 208 208 LYS N N 15 1 -8.32 . . 0.50 . . 1 205 Ile Ca 1 206 Lys N . 16584 1 135 2JCAN_ . 1 1 208 208 LYS CA C 13 1 . 1 1 209 209 GLY N N 15 1 -6.44 . . 0.50 . . 1 206 Lys Ca 1 207 Gly N . 16584 1 136 2JCAN_ . 1 1 210 210 PRO CA C 13 1 . 1 1 211 211 ALA N N 15 1 -9.05 . . 0.50 . . 1 208 Pro Ca 1 209 Ala N . 16584 1 137 2JCAN_ . 1 1 211 211 ALA CA C 13 1 . 1 1 212 212 LYS N N 15 1 -6.39 . . 0.50 . . 1 209 Ala Ca 1 210 Lys N . 16584 1 138 2JCAN_ . 1 1 212 212 LYS CA C 13 1 . 1 1 213 213 ILE N N 15 1 -8.49 . . 0.50 . . 1 210 Lys Ca 1 211 Ile N . 16584 1 139 2JCAN_ . 1 1 213 213 ILE CA C 13 1 . 1 1 214 214 GLU N N 15 1 -9.01 . . 0.50 . . 1 211 Ile Ca 1 212 Glu N . 16584 1 140 2JCAN_ . 1 1 214 214 GLU CA C 13 1 . 1 1 215 215 ASN N N 15 1 -8.66 . . 0.50 . . 1 212 Glu Ca 1 213 Asn N . 16584 1 141 2JCAN_ . 1 1 215 215 ASN CA C 13 1 . 1 1 216 216 LYS N N 15 1 -7.57 . . 0.50 . . 1 213 Asn Ca 1 214 Lys N . 16584 1 142 2JCAN_ . 1 1 216 216 LYS CA C 13 1 . 1 1 217 217 LYS N N 15 1 -8.68 . . 0.50 . . 1 214 Lys Ca 1 215 Lys N . 16584 1 143 2JCAN_ . 1 1 217 217 LYS CA C 13 1 . 1 1 218 218 VAL N N 15 1 -8.35 . . 0.50 . . 1 215 Lys Ca 1 216 Val N . 16584 1 144 2JCAN_ . 1 1 218 218 VAL CA C 13 1 . 1 1 219 219 TRP N N 15 1 -7.91 . . 0.50 . . 1 216 Val Ca 1 217 Trp N . 16584 1 145 2JCAN_ . 1 1 219 219 TRP CA C 13 1 . 1 1 220 220 GLY N N 15 1 -6.56 . . 0.50 . . 1 217 Trp Ca 1 218 Gly N . 16584 1 146 2JCAN_ . 1 1 220 220 GLY CA C 13 1 . 1 1 221 221 HIS N N 15 1 -10.04 . . 0.50 . . 1 218 Gly Ca 1 219 His N . 16584 1 147 2JCAN_ . 1 1 221 221 HIS CA C 13 1 . 1 1 222 222 ILE N N 15 1 -9.51 . . 0.50 . . 1 219 His Ca 1 220 Ile N . 16584 1 148 2JCAN_ . 1 1 223 223 PRO CA C 13 1 . 1 1 224 224 GLY N N 15 1 -10.37 . . 0.50 . . 1 221 Pro Ca 1 222 Gly N . 16584 1 149 2JCAN_ . 1 1 224 224 GLY CA C 13 1 . 1 1 225 225 THR N N 15 1 -9.77 . . 0.50 . . 1 222 Gly Ca 1 223 Thr N . 16584 1 150 2JCAN_ . 1 1 225 225 THR CA C 13 1 . 1 1 226 226 HIS N N 15 1 -5.66 . . 0.50 . . 1 223 Thr Ca 1 224 His N . 16584 1 151 2JCAN_ . 1 1 226 226 HIS CA C 13 1 . 1 1 227 227 GLU N N 15 1 -8.76 . . 0.50 . . 1 224 His Ca 1 225 Glu N . 16584 1 152 2JCAN_ . 1 1 227 227 GLU CA C 13 1 . 1 1 228 228 GLY N N 15 1 -9.01 . . 0.50 . . 1 225 Glu Ca 1 226 Gly N . 16584 1 153 2JCAN_ . 1 1 228 228 GLY CA C 13 1 . 1 1 229 229 GLY N N 15 1 -10.14 . . 0.50 . . 1 226 Gly Ca 1 227 Gly N . 16584 1 154 2JCAN_ . 1 1 229 229 GLY CA C 13 1 . 1 1 230 230 ALA N N 15 1 -9.42 . . 0.50 . . 1 227 Gly Ca 1 228 Ala N . 16584 1 155 2JCAN_ . 1 1 230 230 ALA CA C 13 1 . 1 1 231 231 ASP N N 15 1 -8.01 . . 0.50 . . 1 228 Ala Ca 1 229 Asp N . 16584 1 156 2JCAN_ . 1 1 232 232 GLY CA C 13 1 . 1 1 233 233 MET N N 15 1 -10.32 . . 0.50 . . 1 230 Gly Ca 1 231 Met N . 16584 1 157 2JCAN_ . 1 1 234 234 ASP CA C 13 1 . 1 1 235 235 PHE N N 15 1 -8.96 . . 0.50 . . 1 232 Asp Ca 1 233 Phe N . 16584 1 158 2JCAN_ . 1 1 236 236 ASP CA C 13 1 . 1 1 237 237 GLU N N 15 1 -8.55 . . 0.50 . . 1 234 Asp Ca 1 235 Glu N . 16584 1 159 2JCAN_ . 1 1 237 237 GLU CA C 13 1 . 1 1 238 238 ASP N N 15 1 -6.04 . . 0.50 . . 1 235 Glu Ca 1 236 Asp N . 16584 1 160 2JCAN_ . 1 1 238 238 ASP CA C 13 1 . 1 1 239 239 ASN N N 15 1 -6.38 . . 0.50 . . 1 236 Asp Ca 1 237 Asn N . 16584 1 161 2JCAN_ . 1 1 239 239 ASN CA C 13 1 . 1 1 240 240 ASN N N 15 1 -7.73 . . 0.50 . . 1 237 Asn Ca 1 238 Asn N . 16584 1 162 2JCAN_ . 1 1 240 240 ASN CA C 13 1 . 1 1 241 241 LEU N N 15 1 -8.38 . . 0.50 . . 1 238 Asn Ca 1 239 Leu N . 16584 1 163 2JCAN_ . 1 1 246 246 TRP CA C 13 1 . 1 1 247 247 GLY N N 15 1 -9.49 . . 0.50 . . 1 244 Trp Ca 1 245 Gly N . 16584 1 164 2JCAN_ . 1 1 247 247 GLY CA C 13 1 . 1 1 248 248 SER N N 15 1 -6.98 . . 0.50 . . 1 245 Gly Ca 1 246 Ser N . 16584 1 165 2JCAN_ . 1 1 248 248 SER CA C 13 1 . 1 1 249 249 SER N N 15 1 -5.36 . . 0.50 . . 1 246 Ser Ca 1 247 Ser N . 16584 1 166 2JCAN_ . 1 1 249 249 SER CA C 13 1 . 1 1 250 250 HIS N N 15 1 -6.38 . . 0.50 . . 1 247 Ser Ca 1 248 His N . 16584 1 167 2JCAN_ . 1 1 254 254 PHE CA C 13 1 . 1 1 255 255 GLY N N 15 1 -9.02 . . 0.50 . . 1 252 Phe Ca 1 253 Gly N . 16584 1 168 2JCAN_ . 1 1 256 256 PRO CA C 13 1 . 1 1 257 257 ASP N N 15 1 -6.57 . . 0.50 . . 1 254 Pro Ca 1 255 Asp N . 16584 1 169 2JCAN_ . 1 1 257 257 ASP CA C 13 1 . 1 1 258 258 GLY N N 15 1 -6.59 . . 0.50 . . 1 255 Asp Ca 1 256 Gly N . 16584 1 170 2JCAN_ . 1 1 258 258 GLY CA C 13 1 . 1 1 259 259 GLY N N 15 1 -10.14 . . 0.50 . . 1 256 Gly Ca 1 257 Gly N . 16584 1 171 2JCAN_ . 1 1 259 259 GLY CA C 13 1 . 1 1 260 260 GLN N N 15 1 -9.64 . . 0.50 . . 1 257 Gly Ca 1 258 Gln N . 16584 1 172 2JCAN_ . 1 1 261 261 PRO CA C 13 1 . 1 1 262 262 LYS N N 15 1 -9.36 . . 0.50 . . 1 259 Pro Ca 1 260 Lys N . 16584 1 173 2JCAN_ . 1 1 262 262 LYS CA C 13 1 . 1 1 263 263 MET N N 15 1 -6.42 . . 0.50 . . 1 260 Lys Ca 1 261 Met N . 16584 1 174 2JCAN_ . 1 1 263 263 MET CA C 13 1 . 1 1 264 264 ARG N N 15 1 -8.45 . . 0.50 . . 1 261 Met Ca 1 262 Arg N . 16584 1 175 2JCAN_ . 1 1 265 265 ILE CA C 13 1 . 1 1 266 266 ARG N N 15 1 -7.79 . . 0.50 . . 1 263 Ile Ca 1 264 Arg N . 16584 1 176 2JCAN_ . 1 1 268 268 PRO CA C 13 1 . 1 1 269 269 PHE N N 15 1 -6.29 . . 0.50 . . 1 266 Pro Ca 1 267 Phe N . 16584 1 177 2JCAN_ . 1 1 269 269 PHE CA C 13 1 . 1 1 270 270 GLU N N 15 1 -9.07 . . 0.50 . . 1 267 Phe Ca 1 268 Glu N . 16584 1 178 2JCAN_ . 1 1 270 270 GLU CA C 13 1 . 1 1 271 271 LYS N N 15 1 -5.69 . . 0.50 . . 1 268 Glu Ca 1 269 Lys N . 16584 1 179 2JCAN_ . 1 1 274 274 ASN CA C 13 1 . 1 1 275 275 LEU N N 15 1 -8.68 . . 0.50 . . 1 272 Asn Ca 1 273 Leu N . 16584 1 180 2JCAN_ . 1 1 276 276 HIS CA C 13 1 . 1 1 277 277 PHE N N 15 1 -8.43 . . 0.50 . . 1 274 His Ca 1 275 Phe N . 16584 1 181 2JCAN_ . 1 1 279 279 PRO CA C 13 1 . 1 1 280 280 GLN N N 15 1 -9.41 . . 0.50 . . 1 277 Pro Ca 1 278 Gln N . 16584 1 182 2JCAN_ . 1 1 280 280 GLN CA C 13 1 . 1 1 281 281 THR N N 15 1 -6.15 . . 0.50 . . 1 278 Gln Ca 1 279 Thr N . 16584 1 183 2JCAN_ . 1 1 281 281 THR CA C 13 1 . 1 1 282 282 LYS N N 15 1 -9.04 . . 0.50 . . 1 279 Thr Ca 1 280 Lys N . 16584 1 184 2JCAN_ . 1 1 282 282 LYS CA C 13 1 . 1 1 283 283 THR N N 15 1 -6.59 . . 0.50 . . 1 280 Lys Ca 1 281 Thr N . 16584 1 185 2JCAN_ . 1 1 288 288 GLU CA C 13 1 . 1 1 289 289 HIS N N 15 1 -8.50 . . 0.50 . . 1 286 Glu Ca 1 287 His N . 16584 1 186 2JCAN_ . 1 1 289 289 HIS CA C 13 1 . 1 1 290 290 GLU N N 15 1 -6.79 . . 0.50 . . 1 287 His Ca 1 288 Glu N . 16584 1 187 2JCAN_ . 1 1 290 290 GLU CA C 13 1 . 1 1 291 291 ASN N N 15 1 -6.53 . . 0.50 . . 1 288 Glu Ca 1 289 Asn N . 16584 1 188 2JCAN_ . 1 1 291 291 ASN CA C 13 1 . 1 1 292 292 ASN N N 15 1 -6.38 . . 0.50 . . 1 289 Asn Ca 1 290 Asn N . 16584 1 189 2JCAN_ . 1 1 292 292 ASN CA C 13 1 . 1 1 293 293 ALA N N 15 1 -8.09 . . 0.50 . . 1 290 Asn Ca 1 291 Ala N . 16584 1 190 2JCAN_ . 1 1 297 297 PHE CA C 13 1 . 1 1 298 298 GLU N N 15 1 -8.75 . . 0.50 . . 1 295 Phe Ca 1 296 Glu N . 16584 1 191 2JCAN_ . 1 1 299 299 TRP CA C 13 1 . 1 1 300 300 GLN N N 15 1 -8.03 . . 0.50 . . 1 297 Trp Ca 1 298 Gln N . 16584 1 192 2JCAN_ . 1 1 300 300 GLN CA C 13 1 . 1 1 301 301 ARG N N 15 1 -6.26 . . 0.50 . . 1 298 Gln Ca 1 299 Arg N . 16584 1 193 2JCAN_ . 1 1 301 301 ARG CA C 13 1 . 1 1 302 302 ASN N N 15 1 -9.26 . . 0.50 . . 1 299 Arg Ca 1 300 Asn N . 16584 1 194 2JCAN_ . 1 1 302 302 ASN CA C 13 1 . 1 1 303 303 GLY N N 15 1 -9.53 . . 0.50 . . 1 300 Asn Ca 1 301 Gly N . 16584 1 195 2JCAN_ . 1 1 303 303 GLY CA C 13 1 . 1 1 304 304 LYS N N 15 1 -9.53 . . 0.50 . . 1 301 Gly Ca 1 302 Lys N . 16584 1 196 2JCAN_ . 1 1 304 304 LYS CA C 13 1 . 1 1 305 305 LYS N N 15 1 -7.64 . . 0.50 . . 1 302 Lys Ca 1 303 Lys N . 16584 1 197 2JCAN_ . 1 1 305 305 LYS CA C 13 1 . 1 1 306 306 GLN N N 15 1 -8.38 . . 0.50 . . 1 303 Lys Ca 1 304 Gln N . 16584 1 198 2JCAN_ . 1 1 306 306 GLN CA C 13 1 . 1 1 307 307 TYR N N 15 1 -8.91 . . 0.50 . . 1 304 Gln Ca 1 305 Tyr N . 16584 1 199 2JCAN_ . 1 1 307 307 TYR CA C 13 1 . 1 1 308 308 CYS N N 15 1 -5.88 . . 0.50 . . 1 305 Tyr Ca 1 306 Cys N . 16584 1 200 2JCAN_ . 1 1 308 308 CYS CA C 13 1 . 1 1 309 309 GLU N N 15 1 -6.33 . . 0.50 . . 1 306 Cys Ca 1 307 Glu N . 16584 1 201 2JCAN_ . 1 1 309 309 GLU CA C 13 1 . 1 1 310 310 THR N N 15 1 -6.22 . . 0.50 . . 1 307 Glu Ca 1 308 Thr N . 16584 1 202 2JCAN_ . 1 1 310 310 THR CA C 13 1 . 1 1 311 311 LEU N N 15 1 -8.49 . . 0.50 . . 1 308 Thr Ca 1 309 Leu N . 16584 1 203 2JCAN_ . 1 1 311 311 LEU CA C 13 1 . 1 1 312 312 LYS N N 15 1 -8.27 . . 0.50 . . 1 309 Leu Ca 1 310 Lys N . 16584 1 204 2JCAN_ . 1 1 312 312 LYS CA C 13 1 . 1 1 313 313 PHE N N 15 1 -7.97 . . 0.50 . . 1 310 Lys Ca 1 311 Phe N . 16584 1 205 2JCAN_ . 1 1 313 313 PHE CA C 13 1 . 1 1 314 314 GLY N N 15 1 -7.93 . . 0.50 . . 1 311 Phe Ca 1 312 Gly N . 16584 1 206 2JCAN_ . 1 1 314 314 GLY CA C 13 1 . 1 1 315 315 ILE N N 15 1 -8.52 . . 0.50 . . 1 312 Gly Ca 1 313 Ile N . 16584 1 207 2JCAN_ . 1 1 315 315 ILE CA C 13 1 . 1 1 316 316 PHE N N 15 1 -7.10 . . 0.50 . . 1 313 Ile Ca 1 314 Phe N . 16584 1 stop_ save_ save_2JHNCa _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 2JHNCa _Coupling_constant_list.Entry_ID 16584 _Coupling_constant_list.ID 2 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 800 _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 2 '2D IPAP-type HN(CO-a/b-NCa-J)-TROSY' . . . 16584 2 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 2JHNCA . 1 1 4 4 GLU H H 1 1 . 1 1 4 4 GLU CA C 13 1 1.99 . . 0.50 . . 1 2 Glu HN 1 2 Glu Ca . 16584 2 2 2JHNCA . 1 1 5 5 ILE H H 1 1 . 1 1 5 5 ILE CA C 13 1 2.22 . . 0.50 . . 1 3 Ile HN 1 3 Ile Ca . 16584 2 3 2JHNCA . 1 1 7 7 VAL H H 1 1 . 1 1 7 7 VAL CA C 13 1 1.39 . . 0.50 . . 1 5 Val HN 1 5 Val Ca . 16584 2 4 2JHNCA . 1 1 8 8 ILE H H 1 1 . 1 1 8 8 ILE CA C 13 1 2.02 . . 0.50 . . 1 6 Ile HN 1 6 Ile Ca . 16584 2 5 2JHNCA . 1 1 9 9 GLU H H 1 1 . 1 1 9 9 GLU CA C 13 1 2.50 . . 0.50 . . 1 7 Glu HN 1 7 Glu Ca . 16584 2 6 2JHNCA . 1 1 11 11 LEU H H 1 1 . 1 1 11 11 LEU CA C 13 1 2.32 . . 0.50 . . 1 9 Leu HN 1 9 Leu Ca . 16584 2 7 2JHNCA . 1 1 12 12 PHE H H 1 1 . 1 1 12 12 PHE CA C 13 1 1.60 . . 0.50 . . 1 10 Phe HN 1 10 Phe Ca . 16584 2 8 2JHNCA . 1 1 13 13 THR H H 1 1 . 1 1 13 13 THR CA C 13 1 2.00 . . 0.50 . . 1 11 Thr HN 1 11 Thr Ca . 16584 2 9 2JHNCA . 1 1 14 14 LYS H H 1 1 . 1 1 14 14 LYS CA C 13 1 2.29 . . 0.50 . . 1 12 Lys HN 1 12 Lys Ca . 16584 2 10 2JHNCA . 1 1 15 15 VAL H H 1 1 . 1 1 15 15 VAL CA C 13 1 4.21 . . 0.50 . . 1 13 Val HN 1 13 Val Ca . 16584 2 11 2JHNCA . 1 1 16 16 THR H H 1 1 . 1 1 16 16 THR CA C 13 1 1.75 . . 0.50 . . 1 14 Thr HN 1 14 Thr Ca . 16584 2 12 2JHNCA . 1 1 17 17 GLU H H 1 1 . 1 1 17 17 GLU CA C 13 1 1.70 . . 0.50 . . 1 15 Glu HN 1 15 Glu Ca . 16584 2 13 2JHNCA . 1 1 18 18 ASP H H 1 1 . 1 1 18 18 ASP CA C 13 1 2.59 . . 0.50 . . 1 16 Asp HN 1 16 Asp Ca . 16584 2 14 2JHNCA . 1 1 19 19 ILE H H 1 1 . 1 1 19 19 ILE CA C 13 1 2.11 . . 0.50 . . 1 17 Ile HN 1 17 Ile Ca . 16584 2 15 2JHNCA . 1 1 29 29 LYS H H 1 1 . 1 1 29 29 LYS CA C 13 1 3.31 . . 0.50 . . 1 27 Lys HN 1 27 Lys Ca . 16584 2 16 2JHNCA . 1 1 30 30 ASN H H 1 1 . 1 1 30 30 ASN CA C 13 1 0.91 . . 0.50 . . 1 28 Asn HN 1 28 Asn Ca . 16584 2 17 2JHNCA . 1 1 31 31 GLY H H 1 1 . 1 1 31 31 GLY CA C 13 1 2.23 . . 0.50 . . 1 29 Gly HN 1 29 Gly Ca . 16584 2 18 2JHNCA . 1 1 32 32 ASP H H 1 1 . 1 1 32 32 ASP CA C 13 1 1.20 . . 0.50 . . 1 30 Asp HN 1 30 Asp Ca . 16584 2 19 2JHNCA . 1 1 33 33 PHE H H 1 1 . 1 1 33 33 PHE CA C 13 1 1.13 . . 0.50 . . 1 31 Phe HN 1 31 Phe Ca . 16584 2 20 2JHNCA . 1 1 40 40 VAL H H 1 1 . 1 1 40 40 VAL CA C 13 1 0.38 . . 0.50 . . 1 38 Val HN 1 38 Val Ca . 16584 2 21 2JHNCA . 1 1 41 41 GLU H H 1 1 . 1 1 41 41 GLU CA C 13 1 1.70 . . 0.50 . . 1 39 Glu HN 1 39 Glu Ca . 16584 2 22 2JHNCA . 1 1 42 42 VAL H H 1 1 . 1 1 42 42 VAL CA C 13 1 1.76 . . 0.50 . . 1 40 Val HN 1 40 Val Ca . 16584 2 23 2JHNCA . 1 1 44 44 GLY H H 1 1 . 1 1 44 44 GLY CA C 13 1 2.90 . . 0.50 . . 1 42 Gly HN 1 42 Gly Ca . 16584 2 24 2JHNCA . 1 1 45 45 LYS H H 1 1 . 1 1 45 45 LYS CA C 13 1 0.96 . . 0.50 . . 1 43 Lys HN 1 43 Lys Ca . 16584 2 25 2JHNCA . 1 1 47 47 ALA H H 1 1 . 1 1 47 47 ALA CA C 13 1 2.13 . . 0.50 . . 1 45 Ala HN 1 45 Ala Ca . 16584 2 26 2JHNCA . 1 1 48 48 GLY H H 1 1 . 1 1 48 48 GLY CA C 13 1 2.51 . . 0.50 . . 1 46 Gly HN 1 46 Gly Ca . 16584 2 27 2JHNCA . 1 1 53 53 ILE H H 1 1 . 1 1 53 53 ILE CA C 13 1 2.00 . . 0.50 . . 1 51 Ile HN 1 51 Ile Ca . 16584 2 28 2JHNCA . 1 1 54 54 ASP H H 1 1 . 1 1 54 54 ASP CA C 13 1 1.25 . . 0.50 . . 1 52 Asp HN 1 52 Asp Ca . 16584 2 29 2JHNCA . 1 1 55 55 LEU H H 1 1 . 1 1 55 55 LEU CA C 13 1 3.02 . . 0.50 . . 1 53 Leu HN 1 53 Leu Ca . 16584 2 30 2JHNCA . 1 1 56 56 LYS H H 1 1 . 1 1 56 56 LYS CA C 13 1 2.20 . . 0.50 . . 1 54 Lys HN 1 54 Lys Ca . 16584 2 31 2JHNCA . 1 1 57 57 THR H H 1 1 . 1 1 57 57 THR CA C 13 1 2.05 . . 0.50 . . 1 55 Thr HN 1 55 Thr Ca . 16584 2 32 2JHNCA . 1 1 58 58 GLY H H 1 1 . 1 1 58 58 GLY CA C 13 1 1.73 . . 0.50 . . 1 56 Gly HN 1 56 Gly Ca . 16584 2 33 2JHNCA . 1 1 59 59 LYS H H 1 1 . 1 1 59 59 LYS CA C 13 1 2.38 . . 0.50 . . 1 57 Lys HN 1 57 Lys Ca . 16584 2 34 2JHNCA . 1 1 60 60 LYS H H 1 1 . 1 1 60 60 LYS CA C 13 1 1.38 . . 0.50 . . 1 58 Lys HN 1 58 Lys Ca . 16584 2 35 2JHNCA . 1 1 61 61 THR H H 1 1 . 1 1 61 61 THR CA C 13 1 1.76 . . 0.50 . . 1 59 Thr HN 1 59 Thr Ca . 16584 2 36 2JHNCA . 1 1 62 62 VAL H H 1 1 . 1 1 62 62 VAL CA C 13 1 2.15 . . 0.50 . . 1 60 Val HN 1 60 Val Ca . 16584 2 37 2JHNCA . 1 1 63 63 ILE H H 1 1 . 1 1 63 63 ILE CA C 13 1 2.75 . . 0.50 . . 1 61 Ile HN 1 61 Ile Ca . 16584 2 38 2JHNCA . 1 1 64 64 CYS H H 1 1 . 1 1 64 64 CYS CA C 13 1 2.70 . . 0.50 . . 1 62 Cys HN 1 62 Cys Ca . 16584 2 39 2JHNCA . 1 1 65 65 LYS H H 1 1 . 1 1 65 65 LYS CA C 13 1 2.24 . . 0.50 . . 1 63 Lys HN 1 63 Lys Ca . 16584 2 40 2JHNCA . 1 1 67 67 GLU H H 1 1 . 1 1 67 67 GLU CA C 13 1 1.65 . . 0.50 . . 1 65 Glu HN 1 65 Glu Ca . 16584 2 41 2JHNCA . 1 1 68 68 VAL H H 1 1 . 1 1 68 68 VAL CA C 13 1 2.33 . . 0.50 . . 1 66 Val HN 1 66 Val Ca . 16584 2 42 2JHNCA . 1 1 69 69 ASN H H 1 1 . 1 1 69 69 ASN CA C 13 1 2.29 . . 0.50 . . 1 67 Asn HN 1 67 Asn Ca . 16584 2 43 2JHNCA . 1 1 70 70 GLY H H 1 1 . 1 1 70 70 GLY CA C 13 1 2.58 . . 0.50 . . 1 68 Gly HN 1 68 Gly Ca . 16584 2 44 2JHNCA . 1 1 71 71 TYR H H 1 1 . 1 1 71 71 TYR CA C 13 1 1.76 . . 0.50 . . 1 69 Tyr HN 1 69 Tyr Ca . 16584 2 45 2JHNCA . 1 1 72 72 GLY H H 1 1 . 1 1 72 72 GLY CA C 13 1 2.07 . . 0.50 . . 1 70 Gly HN 1 70 Gly Ca . 16584 2 46 2JHNCA . 1 1 78 78 CYS H H 1 1 . 1 1 78 78 CYS CA C 13 1 8.00 . . 0.50 . . 1 76 Cys HN 1 76 Cys Ca . 16584 2 47 2JHNCA . 1 1 80 80 CYS H H 1 1 . 1 1 80 80 CYS CA C 13 1 1.84 . . 0.50 . . 1 78 Cys HN 1 78 Cys Ca . 16584 2 48 2JHNCA . 1 1 81 81 ASP H H 1 1 . 1 1 81 81 ASP CA C 13 1 2.01 . . 0.50 . . 1 79 Asp HN 1 79 Asp Ca . 16584 2 49 2JHNCA . 1 1 82 82 ARG H H 1 1 . 1 1 82 82 ARG CA C 13 1 2.60 . . 0.50 . . 1 80 Arg HN 1 80 Arg Ca . 16584 2 50 2JHNCA . 1 1 83 83 ASP H H 1 1 . 1 1 83 83 ASP CA C 13 1 2.95 . . 0.50 . . 1 81 Asp HN 1 81 Asp Ca . 16584 2 51 2JHNCA . 1 1 84 84 ALA H H 1 1 . 1 1 84 84 ALA CA C 13 1 1.54 . . 0.50 . . 1 82 Ala HN 1 82 Ala Ca . 16584 2 52 2JHNCA . 1 1 85 85 ASN H H 1 1 . 1 1 85 85 ASN CA C 13 1 2.98 . . 0.50 . . 1 83 Asn HN 1 83 Asn Ca . 16584 2 53 2JHNCA . 1 1 86 86 GLN H H 1 1 . 1 1 86 86 GLN CA C 13 1 1.98 . . 0.50 . . 1 84 Gln HN 1 84 Gln Ca . 16584 2 54 2JHNCA . 1 1 96 96 LEU H H 1 1 . 1 1 96 96 LEU CA C 13 1 1.94 . . 0.50 . . 1 94 Leu HN 1 94 Leu Ca . 16584 2 55 2JHNCA . 1 1 100 100 GLN H H 1 1 . 1 1 100 100 GLN CA C 13 1 1.39 . . 0.50 . . 1 98 Gln HN 1 98 Gln Ca . 16584 2 56 2JHNCA . 1 1 101 101 THR H H 1 1 . 1 1 101 101 THR CA C 13 1 2.91 . . 0.50 . . 1 99 Thr HN 1 99 Thr Ca . 16584 2 57 2JHNCA . 1 1 102 102 ASP H H 1 1 . 1 1 102 102 ASP CA C 13 1 2.03 . . 0.50 . . 1 100 Asp HN 1 100 Asp Ca . 16584 2 58 2JHNCA . 1 1 103 103 GLY H H 1 1 . 1 1 103 103 GLY CA C 13 1 2.15 . . 0.50 . . 1 101 Gly HN 1 101 Gly Ca . 16584 2 59 2JHNCA . 1 1 104 104 THR H H 1 1 . 1 1 104 104 THR CA C 13 1 2.39 . . 0.50 . . 1 102 Thr HN 1 102 Thr Ca . 16584 2 60 2JHNCA . 1 1 105 105 PHE H H 1 1 . 1 1 105 105 PHE CA C 13 1 1.73 . . 0.50 . . 1 103 Phe HN 1 103 Phe Ca . 16584 2 61 2JHNCA . 1 1 106 106 GLU H H 1 1 . 1 1 106 106 GLU CA C 13 1 1.72 . . 0.50 . . 1 104 Glu HN 1 104 Glu Ca . 16584 2 62 2JHNCA . 1 1 107 107 GLU H H 1 1 . 1 1 107 107 GLU CA C 13 1 1.77 . . 0.50 . . 1 105 Glu HN 1 105 Glu Ca . 16584 2 63 2JHNCA . 1 1 108 108 ILE H H 1 1 . 1 1 108 108 ILE CA C 13 1 2.75 . . 0.50 . . 1 106 Ile HN 1 106 Ile Ca . 16584 2 64 2JHNCA . 1 1 109 109 ALA H H 1 1 . 1 1 109 109 ALA CA C 13 1 2.07 . . 0.50 . . 1 107 Ala HN 1 107 Ala Ca . 16584 2 65 2JHNCA . 1 1 112 112 ASP H H 1 1 . 1 1 112 112 ASP CA C 13 1 2.13 . . 0.50 . . 1 110 Asp HN 1 110 Asp Ca . 16584 2 66 2JHNCA . 1 1 113 113 SER H H 1 1 . 1 1 113 113 SER CA C 13 1 2.65 . . 0.50 . . 1 111 Ser HN 1 111 Ser Ca . 16584 2 67 2JHNCA . 1 1 114 114 GLU H H 1 1 . 1 1 114 114 GLU CA C 13 1 1.45 . . 0.50 . . 1 112 Glu HN 1 112 Glu Ca . 16584 2 68 2JHNCA . 1 1 115 115 GLY H H 1 1 . 1 1 115 115 GLY CA C 13 1 2.09 . . 0.50 . . 1 113 Gly HN 1 113 Gly Ca . 16584 2 69 2JHNCA . 1 1 116 116 ARG H H 1 1 . 1 1 116 116 ARG CA C 13 1 1.39 . . 0.50 . . 1 114 Arg HN 1 114 Arg Ca . 16584 2 70 2JHNCA . 1 1 117 117 ARG H H 1 1 . 1 1 117 117 ARG CA C 13 1 2.68 . . 0.50 . . 1 115 Arg HN 1 115 Arg Ca . 16584 2 71 2JHNCA . 1 1 118 118 MET H H 1 1 . 1 1 118 118 MET CA C 13 1 2.45 . . 0.50 . . 1 116 Met HN 1 116 Met Ca . 16584 2 72 2JHNCA . 1 1 119 119 GLN H H 1 1 . 1 1 119 119 GLN CA C 13 1 1.09 . . 0.50 . . 1 117 Gln HN 1 117 Gln Ca . 16584 2 73 2JHNCA . 1 1 120 120 GLY H H 1 1 . 1 1 120 120 GLY CA C 13 1 2.94 . . 0.50 . . 1 118 Gly HN 1 118 Gly Ca . 16584 2 74 2JHNCA . 1 1 123 123 ASP H H 1 1 . 1 1 123 123 ASP CA C 13 1 1.99 . . 0.50 . . 1 121 Asp HN 1 121 Asp Ca . 16584 2 75 2JHNCA . 1 1 126 126 PHE H H 1 1 . 1 1 126 126 PHE CA C 13 1 2.37 . . 0.50 . . 1 124 Phe HN 1 124 Phe Ca . 16584 2 76 2JHNCA . 1 1 128 128 TYR H H 1 1 . 1 1 128 128 TYR CA C 13 1 6.39 . . 0.50 . . 1 126 Tyr HN 1 126 Tyr Ca . 16584 2 77 2JHNCA . 1 1 130 130 GLY H H 1 1 . 1 1 130 130 GLY CA C 13 1 1.40 . . 0.50 . . 1 128 Gly HN 1 128 Gly Ca . 16584 2 78 2JHNCA . 1 1 138 138 ALA H H 1 1 . 1 1 138 138 ALA CA C 13 1 0.94 . . 0.50 . . 1 136 Ala HN 1 136 Ala Ca . 16584 2 79 2JHNCA . 1 1 139 139 GLY H H 1 1 . 1 1 139 139 GLY CA C 13 1 2.58 . . 0.50 . . 1 137 Gly HN 1 137 Gly Ca . 16584 2 80 2JHNCA . 1 1 140 140 GLU H H 1 1 . 1 1 140 140 GLU CA C 13 1 2.70 . . 0.50 . . 1 138 Glu HN 1 138 Glu Ca . 16584 2 81 2JHNCA . 1 1 141 141 VAL H H 1 1 . 1 1 141 141 VAL CA C 13 1 2.98 . . 0.50 . . 1 139 Val HN 1 139 Val Ca . 16584 2 82 2JHNCA . 1 1 142 142 ALA H H 1 1 . 1 1 142 142 ALA CA C 13 1 3.34 . . 0.50 . . 1 140 Ala HN 1 140 Ala Ca . 16584 2 83 2JHNCA . 1 1 144 144 ALA H H 1 1 . 1 1 144 144 ALA CA C 13 1 2.13 . . 0.50 . . 1 142 Ala HN 1 142 Ala Ca . 16584 2 84 2JHNCA . 1 1 145 145 ASP H H 1 1 . 1 1 145 145 ASP CA C 13 1 2.37 . . 0.50 . . 1 143 Asp HN 1 143 Asp Ca . 16584 2 85 2JHNCA . 1 1 146 146 TYR H H 1 1 . 1 1 146 146 TYR CA C 13 1 2.14 . . 0.50 . . 1 144 Tyr HN 1 144 Tyr Ca . 16584 2 86 2JHNCA . 1 1 147 147 THR H H 1 1 . 1 1 147 147 THR CA C 13 1 1.55 . . 0.50 . . 1 145 Thr HN 1 145 Thr Ca . 16584 2 87 2JHNCA . 1 1 148 148 ARG H H 1 1 . 1 1 148 148 ARG CA C 13 1 2.30 . . 0.50 . . 1 146 Arg HN 1 146 Arg Ca . 16584 2 88 2JHNCA . 1 1 149 149 SER H H 1 1 . 1 1 149 149 SER CA C 13 1 2.51 . . 0.50 . . 1 147 Ser HN 1 147 Ser Ca . 16584 2 89 2JHNCA . 1 1 151 151 GLN H H 1 1 . 1 1 151 151 GLN CA C 13 1 2.08 . . 0.50 . . 1 149 Gln HN 1 149 Gln Ca . 16584 2 90 2JHNCA . 1 1 152 152 GLU H H 1 1 . 1 1 152 152 GLU CA C 13 1 1.18 . . 0.50 . . 1 150 Glu HN 1 150 Glu Ca . 16584 2 91 2JHNCA . 1 1 153 153 LYS H H 1 1 . 1 1 153 153 LYS CA C 13 1 2.49 . . 0.50 . . 1 151 Lys HN 1 151 Lys Ca . 16584 2 92 2JHNCA . 1 1 154 154 PHE H H 1 1 . 1 1 154 154 PHE CA C 13 1 2.61 . . 0.50 . . 1 152 Phe HN 1 152 Phe Ca . 16584 2 93 2JHNCA . 1 1 155 155 GLY H H 1 1 . 1 1 155 155 GLY CA C 13 1 1.22 . . 0.50 . . 1 153 Gly HN 1 153 Gly Ca . 16584 2 94 2JHNCA . 1 1 156 156 SER H H 1 1 . 1 1 156 156 SER CA C 13 1 1.61 . . 0.50 . . 1 154 Ser HN 1 154 Ser Ca . 16584 2 95 2JHNCA . 1 1 161 161 THR H H 1 1 . 1 1 161 161 THR CA C 13 1 2.31 . . 0.50 . . 1 159 Thr HN 1 159 Thr Ca . 16584 2 96 2JHNCA . 1 1 162 162 THR H H 1 1 . 1 1 162 162 THR CA C 13 1 3.20 . . 0.50 . . 1 160 Thr HN 1 160 Thr Ca . 16584 2 97 2JHNCA . 1 1 164 164 GLY H H 1 1 . 1 1 164 164 GLY CA C 13 1 1.93 . . 0.50 . . 1 162 Gly HN 1 162 Gly Ca . 16584 2 98 2JHNCA . 1 1 165 165 GLN H H 1 1 . 1 1 165 165 GLN CA C 13 1 1.38 . . 0.50 . . 1 163 Gln HN 1 163 Gln Ca . 16584 2 99 2JHNCA . 1 1 166 166 MET H H 1 1 . 1 1 166 166 MET CA C 13 1 2.22 . . 0.50 . . 1 164 Met HN 1 164 Met Ca . 16584 2 100 2JHNCA . 1 1 168 168 GLN H H 1 1 . 1 1 168 168 GLN CA C 13 1 2.23 . . 0.50 . . 1 166 Gln HN 1 166 Gln Ca . 16584 2 101 2JHNCA . 1 1 170 170 ASP H H 1 1 . 1 1 170 170 ASP CA C 13 1 2.02 . . 0.50 . . 1 168 Asp HN 1 168 Asp Ca . 16584 2 102 2JHNCA . 1 1 171 171 THR H H 1 1 . 1 1 171 171 THR CA C 13 1 1.69 . . 0.50 . . 1 169 Thr HN 1 169 Thr Ca . 16584 2 103 2JHNCA . 1 1 172 172 ALA H H 1 1 . 1 1 172 172 ALA CA C 13 1 3.02 . . 0.50 . . 1 170 Ala HN 1 170 Ala Ca . 16584 2 104 2JHNCA . 1 1 173 173 PHE H H 1 1 . 1 1 173 173 PHE CA C 13 1 1.65 . . 0.50 . . 1 171 Phe HN 1 171 Phe Ca . 16584 2 105 2JHNCA . 1 1 174 174 GLN H H 1 1 . 1 1 174 174 GLN CA C 13 1 2.50 . . 0.50 . . 1 172 Gln HN 1 172 Gln Ca . 16584 2 106 2JHNCA . 1 1 175 175 PHE H H 1 1 . 1 1 175 175 PHE CA C 13 1 3.37 . . 0.50 . . 1 173 Phe HN 1 173 Phe Ca . 16584 2 107 2JHNCA . 1 1 177 177 ASN H H 1 1 . 1 1 177 177 ASN CA C 13 1 4.13 . . 0.50 . . 1 175 Asn HN 1 175 Asn Ca . 16584 2 108 2JHNCA . 1 1 181 181 VAL H H 1 1 . 1 1 181 181 VAL CA C 13 1 1.95 . . 0.50 . . 1 179 Val HN 1 179 Val Ca . 16584 2 109 2JHNCA . 1 1 183 183 HIS H H 1 1 . 1 1 183 183 HIS CA C 13 1 2.90 . . 0.50 . . 1 181 His HN 1 181 His Ca . 16584 2 110 2JHNCA . 1 1 184 184 MET H H 1 1 . 1 1 184 184 MET CA C 13 1 1.87 . . 0.50 . . 1 182 Met HN 1 182 Met Ca . 16584 2 111 2JHNCA . 1 1 187 187 GLY H H 1 1 . 1 1 187 187 GLY CA C 13 1 2.93 . . 0.50 . . 1 185 Gly HN 1 185 Gly Ca . 16584 2 112 2JHNCA . 1 1 188 188 ARG H H 1 1 . 1 1 188 188 ARG CA C 13 1 3.51 . . 0.50 . . 1 186 Arg HN 1 186 Arg Ca . 16584 2 113 2JHNCA . 1 1 196 196 GLU H H 1 1 . 1 1 196 196 GLU CA C 13 1 2.05 . . 0.50 . . 1 194 Glu HN 1 194 Glu Ca . 16584 2 114 2JHNCA . 1 1 199 199 THR H H 1 1 . 1 1 199 199 THR CA C 13 1 2.00 . . 0.50 . . 1 197 Thr HN 1 197 Thr Ca . 16584 2 115 2JHNCA . 1 1 200 200 LYS H H 1 1 . 1 1 200 200 LYS CA C 13 1 3.05 . . 0.50 . . 1 198 Lys HN 1 198 Lys Ca . 16584 2 116 2JHNCA . 1 1 201 201 LYS H H 1 1 . 1 1 201 201 LYS CA C 13 1 1.05 . . 0.50 . . 1 199 Lys HN 1 199 Lys Ca . 16584 2 117 2JHNCA . 1 1 206 206 ASP H H 1 1 . 1 1 206 206 ASP CA C 13 1 1.62 . . 0.50 . . 1 204 Asp HN 1 204 Asp Ca . 16584 2 118 2JHNCA . 1 1 207 207 ILE H H 1 1 . 1 1 207 207 ILE CA C 13 1 2.20 . . 0.50 . . 1 205 Ile HN 1 205 Ile Ca . 16584 2 119 2JHNCA . 1 1 208 208 LYS H H 1 1 . 1 1 208 208 LYS CA C 13 1 1.44 . . 0.50 . . 1 206 Lys HN 1 206 Lys Ca . 16584 2 120 2JHNCA . 1 1 209 209 GLY H H 1 1 . 1 1 209 209 GLY CA C 13 1 1.87 . . 0.50 . . 1 207 Gly HN 1 207 Gly Ca . 16584 2 121 2JHNCA . 1 1 211 211 ALA H H 1 1 . 1 1 211 211 ALA CA C 13 1 2.69 . . 0.50 . . 1 209 Ala HN 1 209 Ala Ca . 16584 2 122 2JHNCA . 1 1 212 212 LYS H H 1 1 . 1 1 212 212 LYS CA C 13 1 1.83 . . 0.50 . . 1 210 Lys HN 1 210 Lys Ca . 16584 2 123 2JHNCA . 1 1 213 213 ILE H H 1 1 . 1 1 213 213 ILE CA C 13 1 1.35 . . 0.50 . . 1 211 Ile HN 1 211 Ile Ca . 16584 2 124 2JHNCA . 1 1 214 214 GLU H H 1 1 . 1 1 214 214 GLU CA C 13 1 1.48 . . 0.50 . . 1 212 Glu HN 1 212 Glu Ca . 16584 2 125 2JHNCA . 1 1 215 215 ASN H H 1 1 . 1 1 215 215 ASN CA C 13 1 2.52 . . 0.50 . . 1 213 Asn HN 1 213 Asn Ca . 16584 2 126 2JHNCA . 1 1 216 216 LYS H H 1 1 . 1 1 216 216 LYS CA C 13 1 2.49 . . 0.50 . . 1 214 Lys HN 1 214 Lys Ca . 16584 2 127 2JHNCA . 1 1 217 217 LYS H H 1 1 . 1 1 217 217 LYS CA C 13 1 -1.18 . . 0.50 . . 1 215 Lys HN 1 215 Lys Ca . 16584 2 128 2JHNCA . 1 1 218 218 VAL H H 1 1 . 1 1 218 218 VAL CA C 13 1 2.35 . . 0.50 . . 1 216 Val HN 1 216 Val Ca . 16584 2 129 2JHNCA . 1 1 219 219 TRP H H 1 1 . 1 1 219 219 TRP CA C 13 1 -1.52 . . 0.50 . . 1 217 Trp HN 1 217 Trp Ca . 16584 2 130 2JHNCA . 1 1 220 220 GLY H H 1 1 . 1 1 220 220 GLY CA C 13 1 2.16 . . 0.50 . . 1 218 Gly HN 1 218 Gly Ca . 16584 2 131 2JHNCA . 1 1 221 221 HIS H H 1 1 . 1 1 221 221 HIS CA C 13 1 1.20 . . 0.50 . . 1 219 His HN 1 219 His Ca . 16584 2 132 2JHNCA . 1 1 222 222 ILE H H 1 1 . 1 1 222 222 ILE CA C 13 1 1.54 . . 0.50 . . 1 220 Ile HN 1 220 Ile Ca . 16584 2 133 2JHNCA . 1 1 224 224 GLY H H 1 1 . 1 1 224 224 GLY CA C 13 1 2.07 . . 0.50 . . 1 222 Gly HN 1 222 Gly Ca . 16584 2 134 2JHNCA . 1 1 227 227 GLU H H 1 1 . 1 1 227 227 GLU CA C 13 1 1.52 . . 0.50 . . 1 225 Glu HN 1 225 Glu Ca . 16584 2 135 2JHNCA . 1 1 228 228 GLY H H 1 1 . 1 1 228 228 GLY CA C 13 1 1.87 . . 0.50 . . 1 226 Gly HN 1 226 Gly Ca . 16584 2 136 2JHNCA . 1 1 229 229 GLY H H 1 1 . 1 1 229 229 GLY CA C 13 1 1.63 . . 0.50 . . 1 227 Gly HN 1 227 Gly Ca . 16584 2 137 2JHNCA . 1 1 231 231 ASP H H 1 1 . 1 1 231 231 ASP CA C 13 1 3.08 . . 0.50 . . 1 229 Asp HN 1 229 Asp Ca . 16584 2 138 2JHNCA . 1 1 235 235 PHE H H 1 1 . 1 1 235 235 PHE CA C 13 1 1.42 . . 0.50 . . 1 233 Phe HN 1 233 Phe Ca . 16584 2 139 2JHNCA . 1 1 237 237 GLU H H 1 1 . 1 1 237 237 GLU CA C 13 1 2.62 . . 0.50 . . 1 235 Glu HN 1 235 Glu Ca . 16584 2 140 2JHNCA . 1 1 238 238 ASP H H 1 1 . 1 1 238 238 ASP CA C 13 1 1.53 . . 0.50 . . 1 236 Asp HN 1 236 Asp Ca . 16584 2 141 2JHNCA . 1 1 239 239 ASN H H 1 1 . 1 1 239 239 ASN CA C 13 1 3.24 . . 0.50 . . 1 237 Asn HN 1 237 Asn Ca . 16584 2 142 2JHNCA . 1 1 240 240 ASN H H 1 1 . 1 1 240 240 ASN CA C 13 1 1.81 . . 0.50 . . 1 238 Asn HN 1 238 Asn Ca . 16584 2 143 2JHNCA . 1 1 247 247 GLY H H 1 1 . 1 1 247 247 GLY CA C 13 1 1.85 . . 0.50 . . 1 245 Gly HN 1 245 Gly Ca . 16584 2 144 2JHNCA . 1 1 248 248 SER H H 1 1 . 1 1 248 248 SER CA C 13 1 2.13 . . 0.50 . . 1 246 Ser HN 1 246 Ser Ca . 16584 2 145 2JHNCA . 1 1 249 249 SER H H 1 1 . 1 1 249 249 SER CA C 13 1 2.49 . . 0.50 . . 1 247 Ser HN 1 247 Ser Ca . 16584 2 146 2JHNCA . 1 1 250 250 HIS H H 1 1 . 1 1 250 250 HIS CA C 13 1 0.28 . . 0.50 . . 1 248 His HN 1 248 His Ca . 16584 2 147 2JHNCA . 1 1 255 255 GLY H H 1 1 . 1 1 255 255 GLY CA C 13 1 1.69 . . 0.50 . . 1 253 Gly HN 1 253 Gly Ca . 16584 2 148 2JHNCA . 1 1 257 257 ASP H H 1 1 . 1 1 257 257 ASP CA C 13 1 2.76 . . 0.50 . . 1 255 Asp HN 1 255 Asp Ca . 16584 2 149 2JHNCA . 1 1 258 258 GLY H H 1 1 . 1 1 258 258 GLY CA C 13 1 2.48 . . 0.50 . . 1 256 Gly HN 1 256 Gly Ca . 16584 2 150 2JHNCA . 1 1 259 259 GLY H H 1 1 . 1 1 259 259 GLY CA C 13 1 2.20 . . 0.50 . . 1 257 Gly HN 1 257 Gly Ca . 16584 2 151 2JHNCA . 1 1 260 260 GLN H H 1 1 . 1 1 260 260 GLN CA C 13 1 1.19 . . 0.50 . . 1 258 Gln HN 1 258 Gln Ca . 16584 2 152 2JHNCA . 1 1 262 262 LYS H H 1 1 . 1 1 262 262 LYS CA C 13 1 1.96 . . 0.50 . . 1 260 Lys HN 1 260 Lys Ca . 16584 2 153 2JHNCA . 1 1 263 263 MET H H 1 1 . 1 1 263 263 MET CA C 13 1 1.33 . . 0.50 . . 1 261 Met HN 1 261 Met Ca . 16584 2 154 2JHNCA . 1 1 264 264 ARG H H 1 1 . 1 1 264 264 ARG CA C 13 1 1.79 . . 0.50 . . 1 262 Arg HN 1 262 Arg Ca . 16584 2 155 2JHNCA . 1 1 266 266 ARG H H 1 1 . 1 1 266 266 ARG CA C 13 1 1.99 . . 0.50 . . 1 264 Arg HN 1 264 Arg Ca . 16584 2 156 2JHNCA . 1 1 269 269 PHE H H 1 1 . 1 1 269 269 PHE CA C 13 1 1.38 . . 0.50 . . 1 267 Phe HN 1 267 Phe Ca . 16584 2 157 2JHNCA . 1 1 270 270 GLU H H 1 1 . 1 1 270 270 GLU CA C 13 1 2.55 . . 0.50 . . 1 268 Glu HN 1 268 Glu Ca . 16584 2 158 2JHNCA . 1 1 271 271 LYS H H 1 1 . 1 1 271 271 LYS CA C 13 1 3.37 . . 0.50 . . 1 269 Lys HN 1 269 Lys Ca . 16584 2 159 2JHNCA . 1 1 275 275 LEU H H 1 1 . 1 1 275 275 LEU CA C 13 1 1.69 . . 0.50 . . 1 273 Leu HN 1 273 Leu Ca . 16584 2 160 2JHNCA . 1 1 277 277 PHE H H 1 1 . 1 1 277 277 PHE CA C 13 1 1.36 . . 0.50 . . 1 275 Phe HN 1 275 Phe Ca . 16584 2 161 2JHNCA . 1 1 280 280 GLN H H 1 1 . 1 1 280 280 GLN CA C 13 1 2.72 . . 0.50 . . 1 278 Gln HN 1 278 Gln Ca . 16584 2 162 2JHNCA . 1 1 281 281 THR H H 1 1 . 1 1 281 281 THR CA C 13 1 1.00 . . 0.50 . . 1 279 Thr HN 1 279 Thr Ca . 16584 2 163 2JHNCA . 1 1 282 282 LYS H H 1 1 . 1 1 282 282 LYS CA C 13 1 2.01 . . 0.50 . . 1 280 Lys HN 1 280 Lys Ca . 16584 2 164 2JHNCA . 1 1 283 283 THR H H 1 1 . 1 1 283 283 THR CA C 13 1 2.16 . . 0.50 . . 1 281 Thr HN 1 281 Thr Ca . 16584 2 165 2JHNCA . 1 1 289 289 HIS H H 1 1 . 1 1 289 289 HIS CA C 13 1 8.07 . . 0.50 . . 1 287 His HN 1 287 His Ca . 16584 2 166 2JHNCA . 1 1 292 292 ASN H H 1 1 . 1 1 292 292 ASN CA C 13 1 3.02 . . 0.50 . . 1 290 Asn HN 1 290 Asn Ca . 16584 2 167 2JHNCA . 1 1 298 298 GLU H H 1 1 . 1 1 298 298 GLU CA C 13 1 1.59 . . 0.50 . . 1 296 Glu HN 1 296 Glu Ca . 16584 2 168 2JHNCA . 1 1 300 300 GLN H H 1 1 . 1 1 300 300 GLN CA C 13 1 2.03 . . 0.50 . . 1 298 Gln HN 1 298 Gln Ca . 16584 2 169 2JHNCA . 1 1 301 301 ARG H H 1 1 . 1 1 301 301 ARG CA C 13 1 0.96 . . 0.50 . . 1 299 Arg HN 1 299 Arg Ca . 16584 2 170 2JHNCA . 1 1 302 302 ASN H H 1 1 . 1 1 302 302 ASN CA C 13 1 1.84 . . 0.50 . . 1 300 Asn HN 1 300 Asn Ca . 16584 2 171 2JHNCA . 1 1 303 303 GLY H H 1 1 . 1 1 303 303 GLY CA C 13 1 1.82 . . 0.50 . . 1 301 Gly HN 1 301 Gly Ca . 16584 2 172 2JHNCA . 1 1 304 304 LYS H H 1 1 . 1 1 304 304 LYS CA C 13 1 2.39 . . 0.50 . . 1 302 Lys HN 1 302 Lys Ca . 16584 2 173 2JHNCA . 1 1 305 305 LYS H H 1 1 . 1 1 305 305 LYS CA C 13 1 3.23 . . 0.50 . . 1 303 Lys HN 1 303 Lys Ca . 16584 2 174 2JHNCA . 1 1 306 306 GLN H H 1 1 . 1 1 306 306 GLN CA C 13 1 1.79 . . 0.50 . . 1 304 Gln HN 1 304 Gln Ca . 16584 2 175 2JHNCA . 1 1 307 307 TYR H H 1 1 . 1 1 307 307 TYR CA C 13 1 3.22 . . 0.50 . . 1 305 Tyr HN 1 305 Tyr Ca . 16584 2 176 2JHNCA . 1 1 308 308 CYS H H 1 1 . 1 1 308 308 CYS CA C 13 1 4.58 . . 0.50 . . 1 306 Cys HN 1 306 Cys Ca . 16584 2 177 2JHNCA . 1 1 309 309 GLU H H 1 1 . 1 1 309 309 GLU CA C 13 1 2.87 . . 0.50 . . 1 307 Glu HN 1 307 Glu Ca . 16584 2 178 2JHNCA . 1 1 312 312 LYS H H 1 1 . 1 1 312 312 LYS CA C 13 1 2.25 . . 0.50 . . 1 310 Lys HN 1 310 Lys Ca . 16584 2 179 2JHNCA . 1 1 313 313 PHE H H 1 1 . 1 1 313 313 PHE CA C 13 1 1.94 . . 0.50 . . 1 311 Phe HN 1 311 Phe Ca . 16584 2 180 2JHNCA . 1 1 315 315 ILE H H 1 1 . 1 1 315 315 ILE CA C 13 1 1.95 . . 0.50 . . 1 313 Ile HN 1 313 Ile Ca . 16584 2 181 2JHNCA . 1 1 316 316 PHE H H 1 1 . 1 1 316 316 PHE CA C 13 1 1.65 . . 0.50 . . 1 314 Phe HN 1 314 Phe Ca . 16584 2 stop_ save_ save_2JCOHN _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 2JCOHN _Coupling_constant_list.Entry_ID 16584 _Coupling_constant_list.ID 3 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 800 _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 3 '2D IPAP-type HN(a/b-NCO-J)-TROSY' . . . 16584 3 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 2JCOHN . 1 1 3 3 MET C C 13 1 . 1 1 4 4 GLU H H 1 1 4.02 . . 0.50 . . 1 1 Met C 1 2 Glu HN . 16584 3 2 2JCOHN . 1 1 4 4 GLU C C 13 1 . 1 1 5 5 ILE H H 1 1 4.01 . . 0.50 . . 1 2 Glu C 1 3 Ile HN . 16584 3 3 2JCOHN . 1 1 6 6 PRO C C 13 1 . 1 1 7 7 VAL H H 1 1 4.01 . . 0.50 . . 1 4 Pro C 1 5 Val HN . 16584 3 4 2JCOHN . 1 1 7 7 VAL C C 13 1 . 1 1 8 8 ILE H H 1 1 3.81 . . 0.50 . . 1 5 Val C 1 6 Ile HN . 16584 3 5 2JCOHN . 1 1 8 8 ILE C C 13 1 . 1 1 9 9 GLU H H 1 1 3.99 . . 0.50 . . 1 6 Ile C 1 7 Glu HN . 16584 3 6 2JCOHN . 1 1 10 10 PRO C C 13 1 . 1 1 11 11 LEU H H 1 1 4.13 . . 0.50 . . 1 8 Pro C 1 9 Leu HN . 16584 3 7 2JCOHN . 1 1 11 11 LEU C C 13 1 . 1 1 12 12 PHE H H 1 1 4.18 . . 0.50 . . 1 9 Leu C 1 10 Phe HN . 16584 3 8 2JCOHN . 1 1 12 12 PHE C C 13 1 . 1 1 13 13 THR H H 1 1 4.16 . . 0.50 . . 1 10 Phe C 1 11 Thr HN . 16584 3 9 2JCOHN . 1 1 13 13 THR C C 13 1 . 1 1 14 14 LYS H H 1 1 4.10 . . 0.50 . . 1 11 Thr C 1 12 Lys HN . 16584 3 10 2JCOHN . 1 1 14 14 LYS C C 13 1 . 1 1 15 15 VAL H H 1 1 4.20 . . 0.50 . . 1 12 Lys C 1 13 Val HN . 16584 3 11 2JCOHN . 1 1 15 15 VAL C C 13 1 . 1 1 16 16 THR H H 1 1 4.43 . . 0.50 . . 1 13 Val C 1 14 Thr HN . 16584 3 12 2JCOHN . 1 1 16 16 THR C C 13 1 . 1 1 17 17 GLU H H 1 1 3.54 . . 0.50 . . 1 14 Thr C 1 15 Glu HN . 16584 3 13 2JCOHN . 1 1 17 17 GLU C C 13 1 . 1 1 18 18 ASP H H 1 1 4.63 . . 0.50 . . 1 15 Glu C 1 16 Asp HN . 16584 3 14 2JCOHN . 1 1 18 18 ASP C C 13 1 . 1 1 19 19 ILE H H 1 1 3.98 . . 0.50 . . 1 16 Asp C 1 17 Ile HN . 16584 3 15 2JCOHN . 1 1 20 20 PRO C C 13 1 . 1 1 21 21 GLY H H 1 1 4.25 . . 0.50 . . 1 18 Pro C 1 19 Gly HN . 16584 3 16 2JCOHN . 1 1 21 21 GLY C C 13 1 . 1 1 22 22 ALA H H 1 1 2.38 . . 0.50 . . 1 19 Gly C 1 20 Ala HN . 16584 3 17 2JCOHN . 1 1 23 23 GLU C C 13 1 . 1 1 24 24 GLY H H 1 1 2.73 . . 0.50 . . 1 21 Glu C 1 22 Gly HN . 16584 3 18 2JCOHN . 1 1 26 26 VAL C C 13 1 . 1 1 27 27 PHE H H 1 1 4.10 . . 0.50 . . 1 24 Val C 1 25 Phe HN . 16584 3 19 2JCOHN . 1 1 28 28 ASP C C 13 1 . 1 1 29 29 LYS H H 1 1 4.92 . . 0.50 . . 1 26 Asp C 1 27 Lys HN . 16584 3 20 2JCOHN . 1 1 29 29 LYS C C 13 1 . 1 1 30 30 ASN H H 1 1 4.10 . . 0.50 . . 1 27 Lys C 1 28 Asn HN . 16584 3 21 2JCOHN . 1 1 30 30 ASN C C 13 1 . 1 1 31 31 GLY H H 1 1 4.57 . . 0.50 . . 1 28 Asn C 1 29 Gly HN . 16584 3 22 2JCOHN . 1 1 31 31 GLY C C 13 1 . 1 1 32 32 ASP H H 1 1 3.94 . . 0.50 . . 1 29 Gly C 1 30 Asp HN . 16584 3 23 2JCOHN . 1 1 32 32 ASP C C 13 1 . 1 1 33 33 PHE H H 1 1 3.88 . . 0.50 . . 1 30 Asp C 1 31 Phe HN . 16584 3 24 2JCOHN . 1 1 39 39 GLU C C 13 1 . 1 1 40 40 VAL H H 1 1 5.12 . . 0.50 . . 1 37 Glu C 1 38 Val HN . 16584 3 25 2JCOHN . 1 1 40 40 VAL C C 13 1 . 1 1 41 41 GLU H H 1 1 3.83 . . 0.50 . . 1 38 Val C 1 39 Glu HN . 16584 3 26 2JCOHN . 1 1 41 41 GLU C C 13 1 . 1 1 42 42 VAL H H 1 1 3.96 . . 0.50 . . 1 39 Glu C 1 40 Val HN . 16584 3 27 2JCOHN . 1 1 43 43 ASN C C 13 1 . 1 1 44 44 GLY H H 1 1 4.26 . . 0.50 . . 1 41 Asn C 1 42 Gly HN . 16584 3 28 2JCOHN . 1 1 44 44 GLY C C 13 1 . 1 1 45 45 LYS H H 1 1 4.20 . . 0.50 . . 1 42 Gly C 1 43 Lys HN . 16584 3 29 2JCOHN . 1 1 46 46 PRO C C 13 1 . 1 1 47 47 ALA H H 1 1 4.03 . . 0.50 . . 1 44 Pro C 1 45 Ala HN . 16584 3 30 2JCOHN . 1 1 47 47 ALA C C 13 1 . 1 1 48 48 GLY H H 1 1 4.79 . . 0.50 . . 1 45 Ala C 1 46 Gly HN . 16584 3 31 2JCOHN . 1 1 53 53 ILE C C 13 1 . 1 1 54 54 ASP H H 1 1 3.96 . . 0.50 . . 1 51 Ile C 1 52 Asp HN . 16584 3 32 2JCOHN . 1 1 55 55 LEU C C 13 1 . 1 1 56 56 LYS H H 1 1 4.37 . . 0.50 . . 1 53 Leu C 1 54 Lys HN . 16584 3 33 2JCOHN . 1 1 56 56 LYS C C 13 1 . 1 1 57 57 THR H H 1 1 3.53 . . 0.50 . . 1 54 Lys C 1 55 Thr HN . 16584 3 34 2JCOHN . 1 1 57 57 THR C C 13 1 . 1 1 58 58 GLY H H 1 1 4.57 . . 0.50 . . 1 55 Thr C 1 56 Gly HN . 16584 3 35 2JCOHN . 1 1 58 58 GLY C C 13 1 . 1 1 59 59 LYS H H 1 1 4.29 . . 0.50 . . 1 56 Gly C 1 57 Lys HN . 16584 3 36 2JCOHN . 1 1 59 59 LYS C C 13 1 . 1 1 60 60 LYS H H 1 1 3.94 . . 0.50 . . 1 57 Lys C 1 58 Lys HN . 16584 3 37 2JCOHN . 1 1 60 60 LYS C C 13 1 . 1 1 61 61 THR H H 1 1 4.22 . . 0.50 . . 1 58 Lys C 1 59 Thr HN . 16584 3 38 2JCOHN . 1 1 61 61 THR C C 13 1 . 1 1 62 62 VAL H H 1 1 4.16 . . 0.50 . . 1 59 Thr C 1 60 Val HN . 16584 3 39 2JCOHN . 1 1 62 62 VAL C C 13 1 . 1 1 63 63 ILE H H 1 1 4.08 . . 0.50 . . 1 60 Val C 1 61 Ile HN . 16584 3 40 2JCOHN . 1 1 63 63 ILE C C 13 1 . 1 1 64 64 CYS H H 1 1 4.50 . . 0.50 . . 1 61 Ile C 1 62 Cys HN . 16584 3 41 2JCOHN . 1 1 64 64 CYS C C 13 1 . 1 1 65 65 LYS H H 1 1 4.08 . . 0.50 . . 1 62 Cys C 1 63 Lys HN . 16584 3 42 2JCOHN . 1 1 66 66 PRO C C 13 1 . 1 1 67 67 GLU H H 1 1 4.51 . . 0.50 . . 1 64 Pro C 1 65 Glu HN . 16584 3 43 2JCOHN . 1 1 67 67 GLU C C 13 1 . 1 1 68 68 VAL H H 1 1 3.94 . . 0.50 . . 1 65 Glu C 1 66 Val HN . 16584 3 44 2JCOHN . 1 1 68 68 VAL C C 13 1 . 1 1 69 69 ASN H H 1 1 4.43 . . 0.50 . . 1 66 Val C 1 67 Asn HN . 16584 3 45 2JCOHN . 1 1 69 69 ASN C C 13 1 . 1 1 70 70 GLY H H 1 1 4.10 . . 0.50 . . 1 67 Asn C 1 68 Gly HN . 16584 3 46 2JCOHN . 1 1 70 70 GLY C C 13 1 . 1 1 71 71 TYR H H 1 1 4.02 . . 0.50 . . 1 68 Gly C 1 69 Tyr HN . 16584 3 47 2JCOHN . 1 1 71 71 TYR C C 13 1 . 1 1 72 72 GLY H H 1 1 4.86 . . 0.50 . . 1 69 Tyr C 1 70 Gly HN . 16584 3 48 2JCOHN . 1 1 72 72 GLY C C 13 1 . 1 1 73 73 GLY H H 1 1 4.47 . . 0.50 . . 1 70 Gly C 1 71 Gly HN . 16584 3 49 2JCOHN . 1 1 77 77 GLY C C 13 1 . 1 1 78 78 CYS H H 1 1 4.21 . . 0.50 . . 1 75 Gly C 1 76 Cys HN . 16584 3 50 2JCOHN . 1 1 79 79 GLN C C 13 1 . 1 1 80 80 CYS H H 1 1 4.06 . . 0.50 . . 1 77 Gln C 1 78 Cys HN . 16584 3 51 2JCOHN . 1 1 80 80 CYS C C 13 1 . 1 1 81 81 ASP H H 1 1 4.34 . . 0.50 . . 1 78 Cys C 1 79 Asp HN . 16584 3 52 2JCOHN . 1 1 81 81 ASP C C 13 1 . 1 1 82 82 ARG H H 1 1 2.94 . . 0.50 . . 1 79 Asp C 1 80 Arg HN . 16584 3 53 2JCOHN . 1 1 82 82 ARG C C 13 1 . 1 1 83 83 ASP H H 1 1 4.08 . . 0.50 . . 1 80 Arg C 1 81 Asp HN . 16584 3 54 2JCOHN . 1 1 83 83 ASP C C 13 1 . 1 1 84 84 ALA H H 1 1 4.10 . . 0.50 . . 1 81 Asp C 1 82 Ala HN . 16584 3 55 2JCOHN . 1 1 84 84 ALA C C 13 1 . 1 1 85 85 ASN H H 1 1 4.04 . . 0.50 . . 1 82 Ala C 1 83 Asn HN . 16584 3 56 2JCOHN . 1 1 85 85 ASN C C 13 1 . 1 1 86 86 GLN H H 1 1 3.90 . . 0.50 . . 1 83 Asn C 1 84 Gln HN . 16584 3 57 2JCOHN . 1 1 95 95 GLY C C 13 1 . 1 1 96 96 LEU H H 1 1 4.60 . . 0.50 . . 1 93 Gly C 1 94 Leu HN . 16584 3 58 2JCOHN . 1 1 99 99 VAL C C 13 1 . 1 1 100 100 GLN H H 1 1 4.07 . . 0.50 . . 1 97 Val C 1 98 Gln HN . 16584 3 59 2JCOHN . 1 1 100 100 GLN C C 13 1 . 1 1 101 101 THR H H 1 1 3.92 . . 0.50 . . 1 98 Gln C 1 99 Thr HN . 16584 3 60 2JCOHN . 1 1 101 101 THR C C 13 1 . 1 1 102 102 ASP H H 1 1 4.17 . . 0.50 . . 1 99 Thr C 1 100 Asp HN . 16584 3 61 2JCOHN . 1 1 102 102 ASP C C 13 1 . 1 1 103 103 GLY H H 1 1 4.30 . . 0.50 . . 1 100 Asp C 1 101 Gly HN . 16584 3 62 2JCOHN . 1 1 103 103 GLY C C 13 1 . 1 1 104 104 THR H H 1 1 3.56 . . 0.50 . . 1 101 Gly C 1 102 Thr HN . 16584 3 63 2JCOHN . 1 1 104 104 THR C C 13 1 . 1 1 105 105 PHE H H 1 1 4.44 . . 0.50 . . 1 102 Thr C 1 103 Phe HN . 16584 3 64 2JCOHN . 1 1 105 105 PHE C C 13 1 . 1 1 106 106 GLU H H 1 1 4.03 . . 0.50 . . 1 103 Phe C 1 104 Glu HN . 16584 3 65 2JCOHN . 1 1 106 106 GLU C C 13 1 . 1 1 107 107 GLU H H 1 1 3.84 . . 0.50 . . 1 104 Glu C 1 105 Glu HN . 16584 3 66 2JCOHN . 1 1 107 107 GLU C C 13 1 . 1 1 108 108 ILE H H 1 1 4.44 . . 0.50 . . 1 105 Glu C 1 106 Ile HN . 16584 3 67 2JCOHN . 1 1 108 108 ILE C C 13 1 . 1 1 109 109 ALA H H 1 1 4.28 . . 0.50 . . 1 106 Ile C 1 107 Ala HN . 16584 3 68 2JCOHN . 1 1 111 111 LYS C C 13 1 . 1 1 112 112 ASP H H 1 1 3.61 . . 0.50 . . 1 109 Lys C 1 110 Asp HN . 16584 3 69 2JCOHN . 1 1 112 112 ASP C C 13 1 . 1 1 113 113 SER H H 1 1 3.42 . . 0.50 . . 1 110 Asp C 1 111 Ser HN . 16584 3 70 2JCOHN . 1 1 113 113 SER C C 13 1 . 1 1 114 114 GLU H H 1 1 3.99 . . 0.50 . . 1 111 Ser C 1 112 Glu HN . 16584 3 71 2JCOHN . 1 1 114 114 GLU C C 13 1 . 1 1 115 115 GLY H H 1 1 4.30 . . 0.50 . . 1 112 Glu C 1 113 Gly HN . 16584 3 72 2JCOHN . 1 1 115 115 GLY C C 13 1 . 1 1 116 116 ARG H H 1 1 4.31 . . 0.50 . . 1 113 Gly C 1 114 Arg HN . 16584 3 73 2JCOHN . 1 1 116 116 ARG C C 13 1 . 1 1 117 117 ARG H H 1 1 4.66 . . 0.50 . . 1 114 Arg C 1 115 Arg HN . 16584 3 74 2JCOHN . 1 1 117 117 ARG C C 13 1 . 1 1 118 118 MET H H 1 1 3.97 . . 0.50 . . 1 115 Arg C 1 116 Met HN . 16584 3 75 2JCOHN . 1 1 118 118 MET C C 13 1 . 1 1 119 119 GLN H H 1 1 4.00 . . 0.50 . . 1 116 Met C 1 117 Gln HN . 16584 3 76 2JCOHN . 1 1 119 119 GLN C C 13 1 . 1 1 120 120 GLY H H 1 1 3.92 . . 0.50 . . 1 117 Gln C 1 118 Gly HN . 16584 3 77 2JCOHN . 1 1 122 122 ASN C C 13 1 . 1 1 123 123 ASP H H 1 1 3.82 . . 0.50 . . 1 120 Asn C 1 121 Asp HN . 16584 3 78 2JCOHN . 1 1 125 125 ALA C C 13 1 . 1 1 126 126 PHE H H 1 1 3.79 . . 0.50 . . 1 123 Ala C 1 124 Phe HN . 16584 3 79 2JCOHN . 1 1 128 128 TYR C C 13 1 . 1 1 129 129 GLU H H 1 1 3.81 . . 0.50 . . 1 126 Tyr C 1 127 Glu HN . 16584 3 80 2JCOHN . 1 1 129 129 GLU C C 13 1 . 1 1 130 130 GLY H H 1 1 4.12 . . 0.50 . . 1 127 Glu C 1 128 Gly HN . 16584 3 81 2JCOHN . 1 1 137 137 PRO C C 13 1 . 1 1 138 138 ALA H H 1 1 3.99 . . 0.50 . . 1 135 Pro C 1 136 Ala HN . 16584 3 82 2JCOHN . 1 1 138 138 ALA C C 13 1 . 1 1 139 139 GLY H H 1 1 4.17 . . 0.50 . . 1 136 Ala C 1 137 Gly HN . 16584 3 83 2JCOHN . 1 1 139 139 GLY C C 13 1 . 1 1 140 140 GLU H H 1 1 3.99 . . 0.50 . . 1 137 Gly C 1 138 Glu HN . 16584 3 84 2JCOHN . 1 1 140 140 GLU C C 13 1 . 1 1 141 141 VAL H H 1 1 3.43 . . 0.50 . . 1 138 Glu C 1 139 Val HN . 16584 3 85 2JCOHN . 1 1 141 141 VAL C C 13 1 . 1 1 142 142 ALA H H 1 1 3.42 . . 0.50 . . 1 139 Val C 1 140 Ala HN . 16584 3 86 2JCOHN . 1 1 143 143 PRO C C 13 1 . 1 1 144 144 ALA H H 1 1 4.24 . . 0.50 . . 1 141 Pro C 1 142 Ala HN . 16584 3 87 2JCOHN . 1 1 144 144 ALA C C 13 1 . 1 1 145 145 ASP H H 1 1 3.95 . . 0.50 . . 1 142 Ala C 1 143 Asp HN . 16584 3 88 2JCOHN . 1 1 145 145 ASP C C 13 1 . 1 1 146 146 TYR H H 1 1 3.86 . . 0.50 . . 1 143 Asp C 1 144 Tyr HN . 16584 3 89 2JCOHN . 1 1 146 146 TYR C C 13 1 . 1 1 147 147 THR H H 1 1 4.28 . . 0.50 . . 1 144 Tyr C 1 145 Thr HN . 16584 3 90 2JCOHN . 1 1 147 147 THR C C 13 1 . 1 1 148 148 ARG H H 1 1 3.99 . . 0.50 . . 1 145 Thr C 1 146 Arg HN . 16584 3 91 2JCOHN . 1 1 148 148 ARG C C 13 1 . 1 1 149 149 SER H H 1 1 3.04 . . 0.50 . . 1 146 Arg C 1 147 Ser HN . 16584 3 92 2JCOHN . 1 1 150 150 MET C C 13 1 . 1 1 151 151 GLN H H 1 1 4.01 . . 0.50 . . 1 148 Met C 1 149 Gln HN . 16584 3 93 2JCOHN . 1 1 151 151 GLN C C 13 1 . 1 1 152 152 GLU H H 1 1 4.37 . . 0.50 . . 1 149 Gln C 1 150 Glu HN . 16584 3 94 2JCOHN . 1 1 152 152 GLU C C 13 1 . 1 1 153 153 LYS H H 1 1 3.82 . . 0.50 . . 1 150 Glu C 1 151 Lys HN . 16584 3 95 2JCOHN . 1 1 153 153 LYS C C 13 1 . 1 1 154 154 PHE H H 1 1 2.54 . . 0.50 . . 1 151 Lys C 1 152 Phe HN . 16584 3 96 2JCOHN . 1 1 154 154 PHE C C 13 1 . 1 1 155 155 GLY H H 1 1 4.99 . . 0.50 . . 1 152 Phe C 1 153 Gly HN . 16584 3 97 2JCOHN . 1 1 160 160 PHE C C 13 1 . 1 1 161 161 THR H H 1 1 3.77 . . 0.50 . . 1 158 Phe C 1 159 Thr HN . 16584 3 98 2JCOHN . 1 1 161 161 THR C C 13 1 . 1 1 162 162 THR H H 1 1 3.52 . . 0.50 . . 1 159 Thr C 1 160 Thr HN . 16584 3 99 2JCOHN . 1 1 163 163 ASP C C 13 1 . 1 1 164 164 GLY H H 1 1 4.74 . . 0.50 . . 1 161 Asp C 1 162 Gly HN . 16584 3 100 2JCOHN . 1 1 164 164 GLY C C 13 1 . 1 1 165 165 GLN H H 1 1 4.10 . . 0.50 . . 1 162 Gly C 1 163 Gln HN . 16584 3 101 2JCOHN . 1 1 165 165 GLN C C 13 1 . 1 1 166 166 MET H H 1 1 4.43 . . 0.50 . . 1 163 Gln C 1 164 Met HN . 16584 3 102 2JCOHN . 1 1 167 167 ILE C C 13 1 . 1 1 168 168 GLN H H 1 1 4.02 . . 0.50 . . 1 165 Ile C 1 166 Gln HN . 16584 3 103 2JCOHN . 1 1 169 169 VAL C C 13 1 . 1 1 170 170 ASP H H 1 1 4.55 . . 0.50 . . 1 167 Val C 1 168 Asp HN . 16584 3 104 2JCOHN . 1 1 170 170 ASP C C 13 1 . 1 1 171 171 THR H H 1 1 3.28 . . 0.50 . . 1 168 Asp C 1 169 Thr HN . 16584 3 105 2JCOHN . 1 1 171 171 THR C C 13 1 . 1 1 172 172 ALA H H 1 1 2.76 . . 0.50 . . 1 169 Thr C 1 170 Ala HN . 16584 3 106 2JCOHN . 1 1 172 172 ALA C C 13 1 . 1 1 173 173 PHE H H 1 1 3.89 . . 0.50 . . 1 170 Ala C 1 171 Phe HN . 16584 3 107 2JCOHN . 1 1 173 173 PHE C C 13 1 . 1 1 174 174 GLN H H 1 1 4.57 . . 0.50 . . 1 171 Phe C 1 172 Gln HN . 16584 3 108 2JCOHN . 1 1 174 174 GLN C C 13 1 . 1 1 175 175 PHE H H 1 1 3.99 . . 0.50 . . 1 172 Gln C 1 173 Phe HN . 16584 3 109 2JCOHN . 1 1 176 176 PRO C C 13 1 . 1 1 177 177 ASN H H 1 1 4.62 . . 0.50 . . 1 174 Pro C 1 175 Asn HN . 16584 3 110 2JCOHN . 1 1 180 180 ALA C C 13 1 . 1 1 181 181 VAL H H 1 1 4.17 . . 0.50 . . 1 178 Ala C 1 179 Val HN . 16584 3 111 2JCOHN . 1 1 182 182 ARG C C 13 1 . 1 1 183 183 HIS H H 1 1 4.27 . . 0.50 . . 1 180 Arg C 1 181 His HN . 16584 3 112 2JCOHN . 1 1 183 183 HIS C C 13 1 . 1 1 184 184 MET H H 1 1 3.39 . . 0.50 . . 1 181 His C 1 182 Met HN . 16584 3 113 2JCOHN . 1 1 185 185 ASN C C 13 1 . 1 1 186 186 ASP H H 1 1 2.91 . . 0.50 . . 1 183 Asn C 1 184 Asp HN . 16584 3 114 2JCOHN . 1 1 186 186 ASP C C 13 1 . 1 1 187 187 GLY H H 1 1 4.30 . . 0.50 . . 1 184 Asp C 1 185 Gly HN . 16584 3 115 2JCOHN . 1 1 187 187 GLY C C 13 1 . 1 1 188 188 ARG H H 1 1 4.25 . . 0.50 . . 1 185 Gly C 1 186 Arg HN . 16584 3 116 2JCOHN . 1 1 189 189 PRO C C 13 1 . 1 1 190 190 TYR H H 1 1 3.94 . . 0.50 . . 1 187 Pro C 1 188 Tyr HN . 16584 3 117 2JCOHN . 1 1 195 195 ALA C C 13 1 . 1 1 196 196 GLU H H 1 1 5.11 . . 0.50 . . 1 193 Ala C 1 194 Glu HN . 16584 3 118 2JCOHN . 1 1 198 198 PRO C C 13 1 . 1 1 199 199 THR H H 1 1 4.67 . . 0.50 . . 1 196 Pro C 1 197 Thr HN . 16584 3 119 2JCOHN . 1 1 199 199 THR C C 13 1 . 1 1 200 200 LYS H H 1 1 4.11 . . 0.50 . . 1 197 Thr C 1 198 Lys HN . 16584 3 120 2JCOHN . 1 1 200 200 LYS C C 13 1 . 1 1 201 201 LYS H H 1 1 4.08 . . 0.50 . . 1 198 Lys C 1 199 Lys HN . 16584 3 121 2JCOHN . 1 1 201 201 LYS C C 13 1 . 1 1 202 202 LEU H H 1 1 3.17 . . 0.50 . . 1 199 Lys C 1 200 Leu HN . 16584 3 122 2JCOHN . 1 1 205 205 TYR C C 13 1 . 1 1 206 206 ASP H H 1 1 3.50 . . 0.50 . . 1 203 Tyr C 1 204 Asp HN . 16584 3 123 2JCOHN . 1 1 206 206 ASP C C 13 1 . 1 1 207 207 ILE H H 1 1 4.05 . . 0.50 . . 1 204 Asp C 1 205 Ile HN . 16584 3 124 2JCOHN . 1 1 207 207 ILE C C 13 1 . 1 1 208 208 LYS H H 1 1 4.02 . . 0.50 . . 1 205 Ile C 1 206 Lys HN . 16584 3 125 2JCOHN . 1 1 208 208 LYS C C 13 1 . 1 1 209 209 GLY H H 1 1 4.54 . . 0.50 . . 1 206 Lys C 1 207 Gly HN . 16584 3 126 2JCOHN . 1 1 210 210 PRO C C 13 1 . 1 1 211 211 ALA H H 1 1 4.27 . . 0.50 . . 1 208 Pro C 1 209 Ala HN . 16584 3 127 2JCOHN . 1 1 211 211 ALA C C 13 1 . 1 1 212 212 LYS H H 1 1 4.09 . . 0.50 . . 1 209 Ala C 1 210 Lys HN . 16584 3 128 2JCOHN . 1 1 212 212 LYS C C 13 1 . 1 1 213 213 ILE H H 1 1 4.09 . . 0.50 . . 1 210 Lys C 1 211 Ile HN . 16584 3 129 2JCOHN . 1 1 213 213 ILE C C 13 1 . 1 1 214 214 GLU H H 1 1 4.04 . . 0.50 . . 1 211 Ile C 1 212 Glu HN . 16584 3 130 2JCOHN . 1 1 214 214 GLU C C 13 1 . 1 1 215 215 ASN H H 1 1 4.48 . . 0.50 . . 1 212 Glu C 1 213 Asn HN . 16584 3 131 2JCOHN . 1 1 215 215 ASN C C 13 1 . 1 1 216 216 LYS H H 1 1 4.20 . . 0.50 . . 1 213 Asn C 1 214 Lys HN . 16584 3 132 2JCOHN . 1 1 217 217 LYS C C 13 1 . 1 1 218 218 VAL H H 1 1 4.21 . . 0.50 . . 1 215 Lys C 1 216 Val HN . 16584 3 133 2JCOHN . 1 1 218 218 VAL C C 13 1 . 1 1 219 219 TRP H H 1 1 3.15 . . 0.50 . . 1 216 Val C 1 217 Trp HN . 16584 3 134 2JCOHN . 1 1 219 219 TRP C C 13 1 . 1 1 220 220 GLY H H 1 1 4.39 . . 0.50 . . 1 217 Trp C 1 218 Gly HN . 16584 3 135 2JCOHN . 1 1 220 220 GLY C C 13 1 . 1 1 221 221 HIS H H 1 1 3.68 . . 0.50 . . 1 218 Gly C 1 219 His HN . 16584 3 136 2JCOHN . 1 1 221 221 HIS C C 13 1 . 1 1 222 222 ILE H H 1 1 4.44 . . 0.50 . . 1 219 His C 1 220 Ile HN . 16584 3 137 2JCOHN . 1 1 223 223 PRO C C 13 1 . 1 1 224 224 GLY H H 1 1 4.43 . . 0.50 . . 1 221 Pro C 1 222 Gly HN . 16584 3 138 2JCOHN . 1 1 224 224 GLY C C 13 1 . 1 1 225 225 THR H H 1 1 3.21 . . 0.50 . . 1 222 Gly C 1 223 Thr HN . 16584 3 139 2JCOHN . 1 1 226 226 HIS C C 13 1 . 1 1 227 227 GLU H H 1 1 2.69 . . 0.50 . . 1 224 His C 1 225 Glu HN . 16584 3 140 2JCOHN . 1 1 227 227 GLU C C 13 1 . 1 1 228 228 GLY H H 1 1 4.15 . . 0.50 . . 1 225 Glu C 1 226 Gly HN . 16584 3 141 2JCOHN . 1 1 228 228 GLY C C 13 1 . 1 1 229 229 GLY H H 1 1 4.30 . . 0.50 . . 1 226 Gly C 1 227 Gly HN . 16584 3 142 2JCOHN . 1 1 230 230 ALA C C 13 1 . 1 1 231 231 ASP H H 1 1 4.00 . . 0.50 . . 1 228 Ala C 1 229 Asp HN . 16584 3 143 2JCOHN . 1 1 232 232 GLY C C 13 1 . 1 1 233 233 MET H H 1 1 4.06 . . 0.50 . . 1 230 Gly C 1 231 Met HN . 16584 3 144 2JCOHN . 1 1 234 234 ASP C C 13 1 . 1 1 235 235 PHE H H 1 1 3.88 . . 0.50 . . 1 232 Asp C 1 233 Phe HN . 16584 3 145 2JCOHN . 1 1 236 236 ASP C C 13 1 . 1 1 237 237 GLU H H 1 1 3.37 . . 0.50 . . 1 234 Asp C 1 235 Glu HN . 16584 3 146 2JCOHN . 1 1 237 237 GLU C C 13 1 . 1 1 238 238 ASP H H 1 1 4.13 . . 0.50 . . 1 235 Glu C 1 236 Asp HN . 16584 3 147 2JCOHN . 1 1 238 238 ASP C C 13 1 . 1 1 239 239 ASN H H 1 1 4.79 . . 0.50 . . 1 236 Asp C 1 237 Asn HN . 16584 3 148 2JCOHN . 1 1 239 239 ASN C C 13 1 . 1 1 240 240 ASN H H 1 1 2.87 . . 0.50 . . 1 237 Asn C 1 238 Asn HN . 16584 3 149 2JCOHN . 1 1 241 241 LEU C C 13 1 . 1 1 242 242 LEU H H 1 1 4.01 . . 0.50 . . 1 239 Leu C 1 240 Leu HN . 16584 3 150 2JCOHN . 1 1 246 246 TRP C C 13 1 . 1 1 247 247 GLY H H 1 1 4.48 . . 0.50 . . 1 244 Trp C 1 245 Gly HN . 16584 3 151 2JCOHN . 1 1 247 247 GLY C C 13 1 . 1 1 248 248 SER H H 1 1 3.83 . . 0.50 . . 1 245 Gly C 1 246 Ser HN . 16584 3 152 2JCOHN . 1 1 248 248 SER C C 13 1 . 1 1 249 249 SER H H 1 1 3.86 . . 0.50 . . 1 246 Ser C 1 247 Ser HN . 16584 3 153 2JCOHN . 1 1 249 249 SER C C 13 1 . 1 1 250 250 HIS H H 1 1 4.37 . . 0.50 . . 1 247 Ser C 1 248 His HN . 16584 3 154 2JCOHN . 1 1 251 251 ILE C C 13 1 . 1 1 252 252 GLU H H 1 1 3.37 . . 0.50 . . 1 249 Ile C 1 250 Glu HN . 16584 3 155 2JCOHN . 1 1 254 254 PHE C C 13 1 . 1 1 255 255 GLY H H 1 1 3.60 . . 0.50 . . 1 252 Phe C 1 253 Gly HN . 16584 3 156 2JCOHN . 1 1 256 256 PRO C C 13 1 . 1 1 257 257 ASP H H 1 1 4.49 . . 0.50 . . 1 254 Pro C 1 255 Asp HN . 16584 3 157 2JCOHN . 1 1 257 257 ASP C C 13 1 . 1 1 258 258 GLY H H 1 1 4.39 . . 0.50 . . 1 255 Asp C 1 256 Gly HN . 16584 3 158 2JCOHN . 1 1 258 258 GLY C C 13 1 . 1 1 259 259 GLY H H 1 1 4.21 . . 0.50 . . 1 256 Gly C 1 257 Gly HN . 16584 3 159 2JCOHN . 1 1 259 259 GLY C C 13 1 . 1 1 260 260 GLN H H 1 1 3.74 . . 0.50 . . 1 257 Gly C 1 258 Gln HN . 16584 3 160 2JCOHN . 1 1 261 261 PRO C C 13 1 . 1 1 262 262 LYS H H 1 1 3.60 . . 0.50 . . 1 259 Pro C 1 260 Lys HN . 16584 3 161 2JCOHN . 1 1 262 262 LYS C C 13 1 . 1 1 263 263 MET H H 1 1 4.77 . . 0.50 . . 1 260 Lys C 1 261 Met HN . 16584 3 162 2JCOHN . 1 1 263 263 MET C C 13 1 . 1 1 264 264 ARG H H 1 1 3.97 . . 0.50 . . 1 261 Met C 1 262 Arg HN . 16584 3 163 2JCOHN . 1 1 265 265 ILE C C 13 1 . 1 1 266 266 ARG H H 1 1 4.24 . . 0.50 . . 1 263 Ile C 1 264 Arg HN . 16584 3 164 2JCOHN . 1 1 268 268 PRO C C 13 1 . 1 1 269 269 PHE H H 1 1 3.96 . . 0.50 . . 1 266 Pro C 1 267 Phe HN . 16584 3 165 2JCOHN . 1 1 269 269 PHE C C 13 1 . 1 1 270 270 GLU H H 1 1 2.88 . . 0.50 . . 1 267 Phe C 1 268 Glu HN . 16584 3 166 2JCOHN . 1 1 270 270 GLU C C 13 1 . 1 1 271 271 LYS H H 1 1 3.05 . . 0.50 . . 1 268 Glu C 1 269 Lys HN . 16584 3 167 2JCOHN . 1 1 273 273 SER C C 13 1 . 1 1 274 274 ASN H H 1 1 2.62 . . 0.50 . . 1 271 Ser C 1 272 Asn HN . 16584 3 168 2JCOHN . 1 1 274 274 ASN C C 13 1 . 1 1 275 275 LEU H H 1 1 3.31 . . 0.50 . . 1 272 Asn C 1 273 Leu HN . 16584 3 169 2JCOHN . 1 1 276 276 HIS C C 13 1 . 1 1 277 277 PHE H H 1 1 3.84 . . 0.50 . . 1 274 His C 1 275 Phe HN . 16584 3 170 2JCOHN . 1 1 279 279 PRO C C 13 1 . 1 1 280 280 GLN H H 1 1 4.06 . . 0.50 . . 1 277 Pro C 1 278 Gln HN . 16584 3 171 2JCOHN . 1 1 280 280 GLN C C 13 1 . 1 1 281 281 THR H H 1 1 3.90 . . 0.50 . . 1 278 Gln C 1 279 Thr HN . 16584 3 172 2JCOHN . 1 1 281 281 THR C C 13 1 . 1 1 282 282 LYS H H 1 1 4.05 . . 0.50 . . 1 279 Thr C 1 280 Lys HN . 16584 3 173 2JCOHN . 1 1 282 282 LYS C C 13 1 . 1 1 283 283 THR H H 1 1 4.26 . . 0.50 . . 1 280 Lys C 1 281 Thr HN . 16584 3 174 2JCOHN . 1 1 288 288 GLU C C 13 1 . 1 1 289 289 HIS H H 1 1 3.29 . . 0.50 . . 1 286 Glu C 1 287 His HN . 16584 3 175 2JCOHN . 1 1 290 290 GLU C C 13 1 . 1 1 291 291 ASN H H 1 1 3.12 . . 0.50 . . 1 288 Glu C 1 289 Asn HN . 16584 3 176 2JCOHN . 1 1 291 291 ASN C C 13 1 . 1 1 292 292 ASN H H 1 1 4.11 . . 0.50 . . 1 289 Asn C 1 290 Asn HN . 16584 3 177 2JCOHN . 1 1 292 292 ASN C C 13 1 . 1 1 293 293 ALA H H 1 1 3.35 . . 0.50 . . 1 290 Asn C 1 291 Ala HN . 16584 3 178 2JCOHN . 1 1 297 297 PHE C C 13 1 . 1 1 298 298 GLU H H 1 1 4.44 . . 0.50 . . 1 295 Phe C 1 296 Glu HN . 16584 3 179 2JCOHN . 1 1 299 299 TRP C C 13 1 . 1 1 300 300 GLN H H 1 1 3.60 . . 0.50 . . 1 297 Trp C 1 298 Gln HN . 16584 3 180 2JCOHN . 1 1 300 300 GLN C C 13 1 . 1 1 301 301 ARG H H 1 1 4.27 . . 0.50 . . 1 298 Gln C 1 299 Arg HN . 16584 3 181 2JCOHN . 1 1 301 301 ARG C C 13 1 . 1 1 302 302 ASN H H 1 1 3.76 . . 0.50 . . 1 299 Arg C 1 300 Asn HN . 16584 3 182 2JCOHN . 1 1 302 302 ASN C C 13 1 . 1 1 303 303 GLY H H 1 1 5.02 . . 0.50 . . 1 300 Asn C 1 301 Gly HN . 16584 3 183 2JCOHN . 1 1 303 303 GLY C C 13 1 . 1 1 304 304 LYS H H 1 1 4.52 . . 0.50 . . 1 301 Gly C 1 302 Lys HN . 16584 3 184 2JCOHN . 1 1 304 304 LYS C C 13 1 . 1 1 305 305 LYS H H 1 1 3.88 . . 0.50 . . 1 302 Lys C 1 303 Lys HN . 16584 3 185 2JCOHN . 1 1 305 305 LYS C C 13 1 . 1 1 306 306 GLN H H 1 1 3.69 . . 0.50 . . 1 303 Lys C 1 304 Gln HN . 16584 3 186 2JCOHN . 1 1 306 306 GLN C C 13 1 . 1 1 307 307 TYR H H 1 1 4.01 . . 0.50 . . 1 304 Gln C 1 305 Tyr HN . 16584 3 187 2JCOHN . 1 1 307 307 TYR C C 13 1 . 1 1 308 308 CYS H H 1 1 3.52 . . 0.50 . . 1 305 Tyr C 1 306 Cys HN . 16584 3 188 2JCOHN . 1 1 308 308 CYS C C 13 1 . 1 1 309 309 GLU H H 1 1 4.11 . . 0.50 . . 1 306 Cys C 1 307 Glu HN . 16584 3 189 2JCOHN . 1 1 311 311 LEU C C 13 1 . 1 1 312 312 LYS H H 1 1 4.18 . . 0.50 . . 1 309 Leu C 1 310 Lys HN . 16584 3 190 2JCOHN . 1 1 312 312 LYS C C 13 1 . 1 1 313 313 PHE H H 1 1 3.93 . . 0.50 . . 1 310 Lys C 1 311 Phe HN . 16584 3 191 2JCOHN . 1 1 313 313 PHE C C 13 1 . 1 1 314 314 GLY H H 1 1 4.96 . . 0.50 . . 1 311 Phe C 1 312 Gly HN . 16584 3 192 2JCOHN . 1 1 314 314 GLY C C 13 1 . 1 1 315 315 ILE H H 1 1 3.71 . . 0.50 . . 1 312 Gly C 1 313 Ile HN . 16584 3 193 2JCOHN . 1 1 315 315 ILE C C 13 1 . 1 1 316 316 PHE H H 1 1 4.02 . . 0.50 . . 1 313 Ile C 1 314 Phe HN . 16584 3 stop_ save_ save_2JN_Ha _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 2JN_Ha _Coupling_constant_list.Entry_ID 16584 _Coupling_constant_list.ID 4 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 800 _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 4 '3D Ha-coupled [15N,1H]-TROSY-iHNCA' . . . 16584 4 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 2JN_HA . 1 1 4 4 GLU N N 15 1 . 1 1 4 4 GLU HA H 1 1 -1.21 . . 0.50 . . 1 2 Glu N 1 2 Glu HA . 16584 4 2 2JN_HA . 1 1 5 5 ILE N N 15 1 . 1 1 5 5 ILE HA H 1 1 0.24 . . 0.50 . . 1 3 Ile N 1 3 Ile HA . 16584 4 3 2JN_HA . 1 1 7 7 VAL N N 15 1 . 1 1 7 7 VAL HA H 1 1 -0.19 . . 0.50 . . 1 5 Val N 1 5 Val HA . 16584 4 4 2JN_HA . 1 1 8 8 ILE N N 15 1 . 1 1 8 8 ILE HA H 1 1 -0.35 . . 0.50 . . 1 6 Ile N 1 6 Ile HA . 16584 4 5 2JN_HA . 1 1 9 9 GLU N N 15 1 . 1 1 9 9 GLU HA H 1 1 -0.09 . . 0.50 . . 1 7 Glu N 1 7 Glu HA . 16584 4 6 2JN_HA . 1 1 11 11 LEU N N 15 1 . 1 1 11 11 LEU HA H 1 1 -0.09 . . 0.50 . . 1 9 Leu N 1 9 Leu HA . 16584 4 7 2JN_HA . 1 1 12 12 PHE N N 15 1 . 1 1 12 12 PHE HA H 1 1 0.03 . . 0.50 . . 1 10 Phe N 1 10 Phe HA . 16584 4 8 2JN_HA . 1 1 13 13 THR N N 15 1 . 1 1 13 13 THR HA H 1 1 -0.49 . . 0.50 . . 1 11 Thr N 1 11 Thr HA . 16584 4 9 2JN_HA . 1 1 14 14 LYS N N 15 1 . 1 1 14 14 LYS HA H 1 1 0.69 . . 0.50 . . 1 12 Lys N 1 12 Lys HA . 16584 4 10 2JN_HA . 1 1 15 15 VAL N N 15 1 . 1 1 15 15 VAL HA H 1 1 0.84 . . 0.50 . . 1 13 Val N 1 13 Val HA . 16584 4 11 2JN_HA . 1 1 16 16 THR N N 15 1 . 1 1 16 16 THR HA H 1 1 0.88 . . 0.50 . . 1 14 Thr N 1 14 Thr HA . 16584 4 12 2JN_HA . 1 1 17 17 GLU N N 15 1 . 1 1 17 17 GLU HA H 1 1 0.57 . . 0.50 . . 1 15 Glu N 1 15 Glu HA . 16584 4 13 2JN_HA . 1 1 18 18 ASP N N 15 1 . 1 1 18 18 ASP HA H 1 1 -1.80 . . 0.50 . . 1 16 Asp N 1 16 Asp HA . 16584 4 14 2JN_HA . 1 1 19 19 ILE N N 15 1 . 1 1 19 19 ILE HA H 1 1 1.16 . . 0.50 . . 1 17 Ile N 1 17 Ile HA . 16584 4 15 2JN_HA . 1 1 22 22 ALA N N 15 1 . 1 1 22 22 ALA HA H 1 1 -2.50 . . 0.50 . . 1 20 Ala N 1 20 Ala HA . 16584 4 16 2JN_HA . 1 1 28 28 ASP N N 15 1 . 1 1 28 28 ASP HA H 1 1 -0.10 . . 0.50 . . 1 26 Asp N 1 26 Asp HA . 16584 4 17 2JN_HA . 1 1 29 29 LYS N N 15 1 . 1 1 29 29 LYS HA H 1 1 -1.66 . . 0.50 . . 1 27 Lys N 1 27 Lys HA . 16584 4 18 2JN_HA . 1 1 30 30 ASN N N 15 1 . 1 1 30 30 ASN HA H 1 1 0.50 . . 0.50 . . 1 28 Asn N 1 28 Asn HA . 16584 4 19 2JN_HA . 1 1 32 32 ASP N N 15 1 . 1 1 32 32 ASP HA H 1 1 -2.43 . . 0.50 . . 1 30 Asp N 1 30 Asp HA . 16584 4 20 2JN_HA . 1 1 33 33 PHE N N 15 1 . 1 1 33 33 PHE HA H 1 1 -0.86 . . 0.50 . . 1 31 Phe N 1 31 Phe HA . 16584 4 21 2JN_HA . 1 1 34 34 TYR N N 15 1 . 1 1 34 34 TYR HA H 1 1 -0.70 . . 0.50 . . 1 32 Tyr N 1 32 Tyr HA . 16584 4 22 2JN_HA . 1 1 35 35 ILE N N 15 1 . 1 1 35 35 ILE HA H 1 1 -0.91 . . 0.50 . . 1 33 Ile N 1 33 Ile HA . 16584 4 23 2JN_HA . 1 1 36 36 VAL N N 15 1 . 1 1 36 36 VAL HA H 1 1 -1.09 . . 0.50 . . 1 34 Val N 1 34 Val HA . 16584 4 24 2JN_HA . 1 1 37 37 ALA N N 15 1 . 1 1 37 37 ALA HA H 1 1 0.68 . . 0.50 . . 1 35 Ala N 1 35 Ala HA . 16584 4 25 2JN_HA . 1 1 40 40 VAL N N 15 1 . 1 1 40 40 VAL HA H 1 1 1.22 . . 0.50 . . 1 38 Val N 1 38 Val HA . 16584 4 26 2JN_HA . 1 1 41 41 GLU N N 15 1 . 1 1 41 41 GLU HA H 1 1 0.74 . . 0.50 . . 1 39 Glu N 1 39 Glu HA . 16584 4 27 2JN_HA . 1 1 42 42 VAL N N 15 1 . 1 1 42 42 VAL HA H 1 1 0.50 . . 0.50 . . 1 40 Val N 1 40 Val HA . 16584 4 28 2JN_HA . 1 1 45 45 LYS N N 15 1 . 1 1 45 45 LYS HA H 1 1 -0.24 . . 0.50 . . 1 43 Lys N 1 43 Lys HA . 16584 4 29 2JN_HA . 1 1 47 47 ALA N N 15 1 . 1 1 47 47 ALA HA H 1 1 1.01 . . 0.50 . . 1 45 Ala N 1 45 Ala HA . 16584 4 30 2JN_HA . 1 1 50 50 ILE N N 15 1 . 1 1 50 50 ILE HA H 1 1 -0.18 . . 0.50 . . 1 48 Ile N 1 48 Ile HA . 16584 4 31 2JN_HA . 1 1 52 52 ARG N N 15 1 . 1 1 52 52 ARG HA H 1 1 0.91 . . 0.50 . . 1 50 Arg N 1 50 Arg HA . 16584 4 32 2JN_HA . 1 1 53 53 ILE N N 15 1 . 1 1 53 53 ILE HA H 1 1 0.67 . . 0.50 . . 1 51 Ile N 1 51 Ile HA . 16584 4 33 2JN_HA . 1 1 54 54 ASP N N 15 1 . 1 1 54 54 ASP HA H 1 1 -0.11 . . 0.50 . . 1 52 Asp N 1 52 Asp HA . 16584 4 34 2JN_HA . 1 1 55 55 LEU N N 15 1 . 1 1 55 55 LEU HA H 1 1 0.51 . . 0.50 . . 1 53 Leu N 1 53 Leu HA . 16584 4 35 2JN_HA . 1 1 56 56 LYS N N 15 1 . 1 1 56 56 LYS HA H 1 1 0.55 . . 0.50 . . 1 54 Lys N 1 54 Lys HA . 16584 4 36 2JN_HA . 1 1 57 57 THR N N 15 1 . 1 1 57 57 THR HA H 1 1 0.88 . . 0.50 . . 1 55 Thr N 1 55 Thr HA . 16584 4 37 2JN_HA . 1 1 59 59 LYS N N 15 1 . 1 1 59 59 LYS HA H 1 1 0.04 . . 0.50 . . 1 57 Lys N 1 57 Lys HA . 16584 4 38 2JN_HA . 1 1 60 60 LYS N N 15 1 . 1 1 60 60 LYS HA H 1 1 -0.89 . . 0.50 . . 1 58 Lys N 1 58 Lys HA . 16584 4 39 2JN_HA . 1 1 61 61 THR N N 15 1 . 1 1 61 61 THR HA H 1 1 1.11 . . 0.50 . . 1 59 Thr N 1 59 Thr HA . 16584 4 40 2JN_HA . 1 1 62 62 VAL N N 15 1 . 1 1 62 62 VAL HA H 1 1 0.13 . . 0.50 . . 1 60 Val N 1 60 Val HA . 16584 4 41 2JN_HA . 1 1 63 63 ILE N N 15 1 . 1 1 63 63 ILE HA H 1 1 -0.84 . . 0.50 . . 1 61 Ile N 1 61 Ile HA . 16584 4 42 2JN_HA . 1 1 64 64 CYS N N 15 1 . 1 1 64 64 CYS HA H 1 1 0.53 . . 0.50 . . 1 62 Cys N 1 62 Cys HA . 16584 4 43 2JN_HA . 1 1 65 65 LYS N N 15 1 . 1 1 65 65 LYS HA H 1 1 0.16 . . 0.50 . . 1 63 Lys N 1 63 Lys HA . 16584 4 44 2JN_HA . 1 1 67 67 GLU N N 15 1 . 1 1 67 67 GLU HA H 1 1 -0.56 . . 0.50 . . 1 65 Glu N 1 65 Glu HA . 16584 4 45 2JN_HA . 1 1 68 68 VAL N N 15 1 . 1 1 68 68 VAL HA H 1 1 -0.23 . . 0.50 . . 1 66 Val N 1 66 Val HA . 16584 4 46 2JN_HA . 1 1 69 69 ASN N N 15 1 . 1 1 69 69 ASN HA H 1 1 0.39 . . 0.50 . . 1 67 Asn N 1 67 Asn HA . 16584 4 47 2JN_HA . 1 1 71 71 TYR N N 15 1 . 1 1 71 71 TYR HA H 1 1 0.04 . . 0.50 . . 1 69 Tyr N 1 69 Tyr HA . 16584 4 48 2JN_HA . 1 1 74 74 ILE N N 15 1 . 1 1 74 74 ILE HA H 1 1 -3.06 . . 0.50 . . 1 72 Ile N 1 72 Ile HA . 16584 4 49 2JN_HA . 1 1 76 76 ALA N N 15 1 . 1 1 76 76 ALA HA H 1 1 -1.56 . . 0.50 . . 1 74 Ala N 1 74 Ala HA . 16584 4 50 2JN_HA . 1 1 79 79 GLN N N 15 1 . 1 1 79 79 GLN HA H 1 1 -0.75 . . 0.50 . . 1 77 Gln N 1 77 Gln HA . 16584 4 51 2JN_HA . 1 1 80 80 CYS N N 15 1 . 1 1 80 80 CYS HA H 1 1 0.75 . . 0.50 . . 1 78 Cys N 1 78 Cys HA . 16584 4 52 2JN_HA . 1 1 81 81 ASP N N 15 1 . 1 1 81 81 ASP HA H 1 1 1.47 . . 0.50 . . 1 79 Asp N 1 79 Asp HA . 16584 4 53 2JN_HA . 1 1 82 82 ARG N N 15 1 . 1 1 82 82 ARG HA H 1 1 -0.18 . . 0.50 . . 1 80 Arg N 1 80 Arg HA . 16584 4 54 2JN_HA . 1 1 83 83 ASP N N 15 1 . 1 1 83 83 ASP HA H 1 1 0.33 . . 0.50 . . 1 81 Asp N 1 81 Asp HA . 16584 4 55 2JN_HA . 1 1 84 84 ALA N N 15 1 . 1 1 84 84 ALA HA H 1 1 0.83 . . 0.50 . . 1 82 Ala N 1 82 Ala HA . 16584 4 56 2JN_HA . 1 1 86 86 GLN N N 15 1 . 1 1 86 86 GLN HA H 1 1 -1.14 . . 0.50 . . 1 84 Gln N 1 84 Gln HA . 16584 4 57 2JN_HA . 1 1 88 88 PHE N N 15 1 . 1 1 88 88 PHE HA H 1 1 0.57 . . 0.50 . . 1 86 Phe N 1 86 Phe HA . 16584 4 58 2JN_HA . 1 1 89 89 VAL N N 15 1 . 1 1 89 89 VAL HA H 1 1 0.67 . . 0.50 . . 1 87 Val N 1 87 Val HA . 16584 4 59 2JN_HA . 1 1 90 90 ALA N N 15 1 . 1 1 90 90 ALA HA H 1 1 -0.77 . . 0.50 . . 1 88 Ala N 1 88 Ala HA . 16584 4 60 2JN_HA . 1 1 91 91 ASP N N 15 1 . 1 1 91 91 ASP HA H 1 1 2.06 . . 0.50 . . 1 89 Asp N 1 89 Asp HA . 16584 4 61 2JN_HA . 1 1 92 92 MET N N 15 1 . 1 1 92 92 MET HA H 1 1 0.03 . . 0.50 . . 1 90 Met N 1 90 Met HA . 16584 4 62 2JN_HA . 1 1 93 93 ARG N N 15 1 . 1 1 93 93 ARG HA H 1 1 -1.00 . . 0.50 . . 1 91 Arg N 1 91 Arg HA . 16584 4 63 2JN_HA . 1 1 96 96 LEU N N 15 1 . 1 1 96 96 LEU HA H 1 1 -0.31 . . 0.50 . . 1 94 Leu N 1 94 Leu HA . 16584 4 64 2JN_HA . 1 1 97 97 LEU N N 15 1 . 1 1 97 97 LEU HA H 1 1 -1.35 . . 0.50 . . 1 95 Leu N 1 95 Leu HA . 16584 4 65 2JN_HA . 1 1 98 98 VAL N N 15 1 . 1 1 98 98 VAL HA H 1 1 -0.36 . . 0.50 . . 1 96 Val N 1 96 Val HA . 16584 4 66 2JN_HA . 1 1 99 99 VAL N N 15 1 . 1 1 99 99 VAL HA H 1 1 -0.11 . . 0.50 . . 1 97 Val N 1 97 Val HA . 16584 4 67 2JN_HA . 1 1 100 100 GLN N N 15 1 . 1 1 100 100 GLN HA H 1 1 -1.25 . . 0.50 . . 1 98 Gln N 1 98 Gln HA . 16584 4 68 2JN_HA . 1 1 101 101 THR N N 15 1 . 1 1 101 101 THR HA H 1 1 0.92 . . 0.50 . . 1 99 Thr N 1 99 Thr HA . 16584 4 69 2JN_HA . 1 1 102 102 ASP N N 15 1 . 1 1 102 102 ASP HA H 1 1 -0.65 . . 0.50 . . 1 100 Asp N 1 100 Asp HA . 16584 4 70 2JN_HA . 1 1 104 104 THR N N 15 1 . 1 1 104 104 THR HA H 1 1 0.12 . . 0.50 . . 1 102 Thr N 1 102 Thr HA . 16584 4 71 2JN_HA . 1 1 105 105 PHE N N 15 1 . 1 1 105 105 PHE HA H 1 1 -0.43 . . 0.50 . . 1 103 Phe N 1 103 Phe HA . 16584 4 72 2JN_HA . 1 1 106 106 GLU N N 15 1 . 1 1 106 106 GLU HA H 1 1 -0.63 . . 0.50 . . 1 104 Glu N 1 104 Glu HA . 16584 4 73 2JN_HA . 1 1 107 107 GLU N N 15 1 . 1 1 107 107 GLU HA H 1 1 -0.07 . . 0.50 . . 1 105 Glu N 1 105 Glu HA . 16584 4 74 2JN_HA . 1 1 108 108 ILE N N 15 1 . 1 1 108 108 ILE HA H 1 1 -0.57 . . 0.50 . . 1 106 Ile N 1 106 Ile HA . 16584 4 75 2JN_HA . 1 1 109 109 ALA N N 15 1 . 1 1 109 109 ALA HA H 1 1 0.56 . . 0.50 . . 1 107 Ala N 1 107 Ala HA . 16584 4 76 2JN_HA . 1 1 112 112 ASP N N 15 1 . 1 1 112 112 ASP HA H 1 1 -1.25 . . 0.50 . . 1 110 Asp N 1 110 Asp HA . 16584 4 77 2JN_HA . 1 1 113 113 SER N N 15 1 . 1 1 113 113 SER HA H 1 1 -1.66 . . 0.50 . . 1 111 Ser N 1 111 Ser HA . 16584 4 78 2JN_HA . 1 1 114 114 GLU N N 15 1 . 1 1 114 114 GLU HA H 1 1 -0.62 . . 0.50 . . 1 112 Glu N 1 112 Glu HA . 16584 4 79 2JN_HA . 1 1 116 116 ARG N N 15 1 . 1 1 116 116 ARG HA H 1 1 1.12 . . 0.50 . . 1 114 Arg N 1 114 Arg HA . 16584 4 80 2JN_HA . 1 1 117 117 ARG N N 15 1 . 1 1 117 117 ARG HA H 1 1 -0.45 . . 0.50 . . 1 115 Arg N 1 115 Arg HA . 16584 4 81 2JN_HA . 1 1 118 118 MET N N 15 1 . 1 1 118 118 MET HA H 1 1 -0.07 . . 0.50 . . 1 116 Met N 1 116 Met HA . 16584 4 82 2JN_HA . 1 1 121 121 CYS N N 15 1 . 1 1 121 121 CYS HA H 1 1 -0.38 . . 0.50 . . 1 119 Cys N 1 119 Cys HA . 16584 4 83 2JN_HA . 1 1 124 124 CYS N N 15 1 . 1 1 124 124 CYS HA H 1 1 -0.44 . . 0.50 . . 1 122 Cys N 1 122 Cys HA . 16584 4 84 2JN_HA . 1 1 125 125 ALA N N 15 1 . 1 1 125 125 ALA HA H 1 1 -1.46 . . 0.50 . . 1 123 Ala N 1 123 Ala HA . 16584 4 85 2JN_HA . 1 1 126 126 PHE N N 15 1 . 1 1 126 126 PHE HA H 1 1 0.40 . . 0.50 . . 1 124 Phe N 1 124 Phe HA . 16584 4 86 2JN_HA . 1 1 127 127 ASP N N 15 1 . 1 1 127 127 ASP HA H 1 1 0.29 . . 0.50 . . 1 125 Asp N 1 125 Asp HA . 16584 4 87 2JN_HA . 1 1 129 129 GLU N N 15 1 . 1 1 129 129 GLU HA H 1 1 -1.80 . . 0.50 . . 1 127 Glu N 1 127 Glu HA . 16584 4 88 2JN_HA . 1 1 131 131 ASN N N 15 1 . 1 1 131 131 ASN HA H 1 1 -0.39 . . 0.50 . . 1 129 Asn N 1 129 Asn HA . 16584 4 89 2JN_HA . 1 1 132 132 LEU N N 15 1 . 1 1 132 132 LEU HA H 1 1 -0.14 . . 0.50 . . 1 130 Leu N 1 130 Leu HA . 16584 4 90 2JN_HA . 1 1 133 133 TRP N N 15 1 . 1 1 133 133 TRP HA H 1 1 0.36 . . 0.50 . . 1 131 Trp N 1 131 Trp HA . 16584 4 91 2JN_HA . 1 1 134 134 ILE N N 15 1 . 1 1 134 134 ILE HA H 1 1 -1.27 . . 0.50 . . 1 132 Ile N 1 132 Ile HA . 16584 4 92 2JN_HA . 1 1 135 135 THR N N 15 1 . 1 1 135 135 THR HA H 1 1 -0.21 . . 0.50 . . 1 133 Thr N 1 133 Thr HA . 16584 4 93 2JN_HA . 1 1 136 136 ALA N N 15 1 . 1 1 136 136 ALA HA H 1 1 -0.60 . . 0.50 . . 1 134 Ala N 1 134 Ala HA . 16584 4 94 2JN_HA . 1 1 138 138 ALA N N 15 1 . 1 1 138 138 ALA HA H 1 1 0.07 . . 0.50 . . 1 136 Ala N 1 136 Ala HA . 16584 4 95 2JN_HA . 1 1 140 140 GLU N N 15 1 . 1 1 140 140 GLU HA H 1 1 0.68 . . 0.50 . . 1 138 Glu N 1 138 Glu HA . 16584 4 96 2JN_HA . 1 1 141 141 VAL N N 15 1 . 1 1 141 141 VAL HA H 1 1 -1.60 . . 0.50 . . 1 139 Val N 1 139 Val HA . 16584 4 97 2JN_HA . 1 1 142 142 ALA N N 15 1 . 1 1 142 142 ALA HA H 1 1 -0.00 . . 0.50 . . 1 140 Ala N 1 140 Ala HA . 16584 4 98 2JN_HA . 1 1 144 144 ALA N N 15 1 . 1 1 144 144 ALA HA H 1 1 -0.73 . . 0.50 . . 1 142 Ala N 1 142 Ala HA . 16584 4 99 2JN_HA . 1 1 145 145 ASP N N 15 1 . 1 1 145 145 ASP HA H 1 1 -0.26 . . 0.50 . . 1 143 Asp N 1 143 Asp HA . 16584 4 100 2JN_HA . 1 1 146 146 TYR N N 15 1 . 1 1 146 146 TYR HA H 1 1 0.83 . . 0.50 . . 1 144 Tyr N 1 144 Tyr HA . 16584 4 101 2JN_HA . 1 1 147 147 THR N N 15 1 . 1 1 147 147 THR HA H 1 1 -1.31 . . 0.50 . . 1 145 Thr N 1 145 Thr HA . 16584 4 102 2JN_HA . 1 1 152 152 GLU N N 15 1 . 1 1 152 152 GLU HA H 1 1 0.90 . . 0.50 . . 1 150 Glu N 1 150 Glu HA . 16584 4 103 2JN_HA . 1 1 153 153 LYS N N 15 1 . 1 1 153 153 LYS HA H 1 1 -1.52 . . 0.50 . . 1 151 Lys N 1 151 Lys HA . 16584 4 104 2JN_HA . 1 1 154 154 PHE N N 15 1 . 1 1 154 154 PHE HA H 1 1 -0.61 . . 0.50 . . 1 152 Phe N 1 152 Phe HA . 16584 4 105 2JN_HA . 1 1 156 156 SER N N 15 1 . 1 1 156 156 SER HA H 1 1 -0.92 . . 0.50 . . 1 154 Ser N 1 154 Ser HA . 16584 4 106 2JN_HA . 1 1 157 157 ILE N N 15 1 . 1 1 157 157 ILE HA H 1 1 0.34 . . 0.50 . . 1 155 Ile N 1 155 Ile HA . 16584 4 107 2JN_HA . 1 1 158 158 TYR N N 15 1 . 1 1 158 158 TYR HA H 1 1 -0.84 . . 0.50 . . 1 156 Tyr N 1 156 Tyr HA . 16584 4 108 2JN_HA . 1 1 159 159 CYS N N 15 1 . 1 1 159 159 CYS HA H 1 1 -0.04 . . 0.50 . . 1 157 Cys N 1 157 Cys HA . 16584 4 109 2JN_HA . 1 1 160 160 PHE N N 15 1 . 1 1 160 160 PHE HA H 1 1 1.75 . . 0.50 . . 1 158 Phe N 1 158 Phe HA . 16584 4 110 2JN_HA . 1 1 162 162 THR N N 15 1 . 1 1 162 162 THR HA H 1 1 0.41 . . 0.50 . . 1 160 Thr N 1 160 Thr HA . 16584 4 111 2JN_HA . 1 1 165 165 GLN N N 15 1 . 1 1 165 165 GLN HA H 1 1 1.01 . . 0.50 . . 1 163 Gln N 1 163 Gln HA . 16584 4 112 2JN_HA . 1 1 166 166 MET N N 15 1 . 1 1 166 166 MET HA H 1 1 0.08 . . 0.50 . . 1 164 Met N 1 164 Met HA . 16584 4 113 2JN_HA . 1 1 167 167 ILE N N 15 1 . 1 1 167 167 ILE HA H 1 1 1.04 . . 0.50 . . 1 165 Ile N 1 165 Ile HA . 16584 4 114 2JN_HA . 1 1 168 168 GLN N N 15 1 . 1 1 168 168 GLN HA H 1 1 1.44 . . 0.50 . . 1 166 Gln N 1 166 Gln HA . 16584 4 115 2JN_HA . 1 1 169 169 VAL N N 15 1 . 1 1 169 169 VAL HA H 1 1 3.40 . . 0.50 . . 1 167 Val N 1 167 Val HA . 16584 4 116 2JN_HA . 1 1 170 170 ASP N N 15 1 . 1 1 170 170 ASP HA H 1 1 0.22 . . 0.50 . . 1 168 Asp N 1 168 Asp HA . 16584 4 117 2JN_HA . 1 1 171 171 THR N N 15 1 . 1 1 171 171 THR HA H 1 1 -0.16 . . 0.50 . . 1 169 Thr N 1 169 Thr HA . 16584 4 118 2JN_HA . 1 1 172 172 ALA N N 15 1 . 1 1 172 172 ALA HA H 1 1 0.40 . . 0.50 . . 1 170 Ala N 1 170 Ala HA . 16584 4 119 2JN_HA . 1 1 173 173 PHE N N 15 1 . 1 1 173 173 PHE HA H 1 1 -0.04 . . 0.50 . . 1 171 Phe N 1 171 Phe HA . 16584 4 120 2JN_HA . 1 1 174 174 GLN N N 15 1 . 1 1 174 174 GLN HA H 1 1 1.28 . . 0.50 . . 1 172 Gln N 1 172 Gln HA . 16584 4 121 2JN_HA . 1 1 177 177 ASN N N 15 1 . 1 1 177 177 ASN HA H 1 1 -1.01 . . 0.50 . . 1 175 Asn N 1 175 Asn HA . 16584 4 122 2JN_HA . 1 1 180 180 ALA N N 15 1 . 1 1 180 180 ALA HA H 1 1 -0.22 . . 0.50 . . 1 178 Ala N 1 178 Ala HA . 16584 4 123 2JN_HA . 1 1 181 181 VAL N N 15 1 . 1 1 181 181 VAL HA H 1 1 -0.16 . . 0.50 . . 1 179 Val N 1 179 Val HA . 16584 4 124 2JN_HA . 1 1 183 183 HIS N N 15 1 . 1 1 183 183 HIS HA H 1 1 2.46 . . 0.50 . . 1 181 His N 1 181 His HA . 16584 4 125 2JN_HA . 1 1 184 184 MET N N 15 1 . 1 1 184 184 MET HA H 1 1 1.16 . . 0.50 . . 1 182 Met N 1 182 Met HA . 16584 4 126 2JN_HA . 1 1 188 188 ARG N N 15 1 . 1 1 188 188 ARG HA H 1 1 0.43 . . 0.50 . . 1 186 Arg N 1 186 Arg HA . 16584 4 127 2JN_HA . 1 1 192 192 LEU N N 15 1 . 1 1 192 192 LEU HA H 1 1 -0.18 . . 0.50 . . 1 190 Leu N 1 190 Leu HA . 16584 4 128 2JN_HA . 1 1 193 193 ILE N N 15 1 . 1 1 193 193 ILE HA H 1 1 0.36 . . 0.50 . . 1 191 Ile N 1 191 Ile HA . 16584 4 129 2JN_HA . 1 1 194 194 VAL N N 15 1 . 1 1 194 194 VAL HA H 1 1 0.43 . . 0.50 . . 1 192 Val N 1 192 Val HA . 16584 4 130 2JN_HA . 1 1 195 195 ALA N N 15 1 . 1 1 195 195 ALA HA H 1 1 -1.05 . . 0.50 . . 1 193 Ala N 1 193 Ala HA . 16584 4 131 2JN_HA . 1 1 196 196 GLU N N 15 1 . 1 1 196 196 GLU HA H 1 1 -0.69 . . 0.50 . . 1 194 Glu N 1 194 Glu HA . 16584 4 132 2JN_HA . 1 1 197 197 THR N N 15 1 . 1 1 197 197 THR HA H 1 1 0.04 . . 0.50 . . 1 195 Thr N 1 195 Thr HA . 16584 4 133 2JN_HA . 1 1 199 199 THR N N 15 1 . 1 1 199 199 THR HA H 1 1 -0.54 . . 0.50 . . 1 197 Thr N 1 197 Thr HA . 16584 4 134 2JN_HA . 1 1 200 200 LYS N N 15 1 . 1 1 200 200 LYS HA H 1 1 -2.83 . . 0.50 . . 1 198 Lys N 1 198 Lys HA . 16584 4 135 2JN_HA . 1 1 201 201 LYS N N 15 1 . 1 1 201 201 LYS HA H 1 1 -1.23 . . 0.50 . . 1 199 Lys N 1 199 Lys HA . 16584 4 136 2JN_HA . 1 1 202 202 LEU N N 15 1 . 1 1 202 202 LEU HA H 1 1 -0.33 . . 0.50 . . 1 200 Leu N 1 200 Leu HA . 16584 4 137 2JN_HA . 1 1 203 203 TRP N N 15 1 . 1 1 203 203 TRP HA H 1 1 -0.62 . . 0.50 . . 1 201 Trp N 1 201 Trp HA . 16584 4 138 2JN_HA . 1 1 204 204 SER N N 15 1 . 1 1 204 204 SER HA H 1 1 -0.63 . . 0.50 . . 1 202 Ser N 1 202 Ser HA . 16584 4 139 2JN_HA . 1 1 205 205 TYR N N 15 1 . 1 1 205 205 TYR HA H 1 1 0.43 . . 0.50 . . 1 203 Tyr N 1 203 Tyr HA . 16584 4 140 2JN_HA . 1 1 206 206 ASP N N 15 1 . 1 1 206 206 ASP HA H 1 1 -3.20 . . 0.50 . . 1 204 Asp N 1 204 Asp HA . 16584 4 141 2JN_HA . 1 1 207 207 ILE N N 15 1 . 1 1 207 207 ILE HA H 1 1 -0.26 . . 0.50 . . 1 205 Ile N 1 205 Ile HA . 16584 4 142 2JN_HA . 1 1 208 208 LYS N N 15 1 . 1 1 208 208 LYS HA H 1 1 -0.01 . . 0.50 . . 1 206 Lys N 1 206 Lys HA . 16584 4 143 2JN_HA . 1 1 211 211 ALA N N 15 1 . 1 1 211 211 ALA HA H 1 1 -1.82 . . 0.50 . . 1 209 Ala N 1 209 Ala HA . 16584 4 144 2JN_HA . 1 1 212 212 LYS N N 15 1 . 1 1 212 212 LYS HA H 1 1 0.22 . . 0.50 . . 1 210 Lys N 1 210 Lys HA . 16584 4 145 2JN_HA . 1 1 213 213 ILE N N 15 1 . 1 1 213 213 ILE HA H 1 1 -1.19 . . 0.50 . . 1 211 Ile N 1 211 Ile HA . 16584 4 146 2JN_HA . 1 1 214 214 GLU N N 15 1 . 1 1 214 214 GLU HA H 1 1 0.38 . . 0.50 . . 1 212 Glu N 1 212 Glu HA . 16584 4 147 2JN_HA . 1 1 215 215 ASN N N 15 1 . 1 1 215 215 ASN HA H 1 1 0.23 . . 0.50 . . 1 213 Asn N 1 213 Asn HA . 16584 4 148 2JN_HA . 1 1 216 216 LYS N N 15 1 . 1 1 216 216 LYS HA H 1 1 -0.12 . . 0.50 . . 1 214 Lys N 1 214 Lys HA . 16584 4 149 2JN_HA . 1 1 217 217 LYS N N 15 1 . 1 1 217 217 LYS HA H 1 1 0.27 . . 0.50 . . 1 215 Lys N 1 215 Lys HA . 16584 4 150 2JN_HA . 1 1 218 218 VAL N N 15 1 . 1 1 218 218 VAL HA H 1 1 -0.20 . . 0.50 . . 1 216 Val N 1 216 Val HA . 16584 4 151 2JN_HA . 1 1 219 219 TRP N N 15 1 . 1 1 219 219 TRP HA H 1 1 -0.39 . . 0.50 . . 1 217 Trp N 1 217 Trp HA . 16584 4 152 2JN_HA . 1 1 221 221 HIS N N 15 1 . 1 1 221 221 HIS HA H 1 1 0.19 . . 0.50 . . 1 219 His N 1 219 His HA . 16584 4 153 2JN_HA . 1 1 222 222 ILE N N 15 1 . 1 1 222 222 ILE HA H 1 1 0.72 . . 0.50 . . 1 220 Ile N 1 220 Ile HA . 16584 4 154 2JN_HA . 1 1 226 226 HIS N N 15 1 . 1 1 226 226 HIS HA H 1 1 -1.99 . . 0.50 . . 1 224 His N 1 224 His HA . 16584 4 155 2JN_HA . 1 1 227 227 GLU N N 15 1 . 1 1 227 227 GLU HA H 1 1 0.66 . . 0.50 . . 1 225 Glu N 1 225 Glu HA . 16584 4 156 2JN_HA . 1 1 231 231 ASP N N 15 1 . 1 1 231 231 ASP HA H 1 1 -0.12 . . 0.50 . . 1 229 Asp N 1 229 Asp HA . 16584 4 157 2JN_HA . 1 1 233 233 MET N N 15 1 . 1 1 233 233 MET HA H 1 1 -2.60 . . 0.50 . . 1 231 Met N 1 231 Met HA . 16584 4 158 2JN_HA . 1 1 234 234 ASP N N 15 1 . 1 1 234 234 ASP HA H 1 1 -0.78 . . 0.50 . . 1 232 Asp N 1 232 Asp HA . 16584 4 159 2JN_HA . 1 1 236 236 ASP N N 15 1 . 1 1 236 236 ASP HA H 1 1 -3.41 . . 0.50 . . 1 234 Asp N 1 234 Asp HA . 16584 4 160 2JN_HA . 1 1 238 238 ASP N N 15 1 . 1 1 238 238 ASP HA H 1 1 -0.79 . . 0.50 . . 1 236 Asp N 1 236 Asp HA . 16584 4 161 2JN_HA . 1 1 239 239 ASN N N 15 1 . 1 1 239 239 ASN HA H 1 1 0.69 . . 0.50 . . 1 237 Asn N 1 237 Asn HA . 16584 4 162 2JN_HA . 1 1 240 240 ASN N N 15 1 . 1 1 240 240 ASN HA H 1 1 -1.70 . . 0.50 . . 1 238 Asn N 1 238 Asn HA . 16584 4 163 2JN_HA . 1 1 241 241 LEU N N 15 1 . 1 1 241 241 LEU HA H 1 1 -0.73 . . 0.50 . . 1 239 Leu N 1 239 Leu HA . 16584 4 164 2JN_HA . 1 1 242 242 LEU N N 15 1 . 1 1 242 242 LEU HA H 1 1 0.69 . . 0.50 . . 1 240 Leu N 1 240 Leu HA . 16584 4 165 2JN_HA . 1 1 243 243 VAL N N 15 1 . 1 1 243 243 VAL HA H 1 1 -1.04 . . 0.50 . . 1 241 Val N 1 241 Val HA . 16584 4 166 2JN_HA . 1 1 244 244 ALA N N 15 1 . 1 1 244 244 ALA HA H 1 1 -1.37 . . 0.50 . . 1 242 Ala N 1 242 Ala HA . 16584 4 167 2JN_HA . 1 1 245 245 ASN N N 15 1 . 1 1 245 245 ASN HA H 1 1 -0.31 . . 0.50 . . 1 243 Asn N 1 243 Asn HA . 16584 4 168 2JN_HA . 1 1 246 246 TRP N N 15 1 . 1 1 246 246 TRP HA H 1 1 0.74 . . 0.50 . . 1 244 Trp N 1 244 Trp HA . 16584 4 169 2JN_HA . 1 1 249 249 SER N N 15 1 . 1 1 249 249 SER HA H 1 1 0.44 . . 0.50 . . 1 247 Ser N 1 247 Ser HA . 16584 4 170 2JN_HA . 1 1 250 250 HIS N N 15 1 . 1 1 250 250 HIS HA H 1 1 -0.23 . . 0.50 . . 1 248 His N 1 248 His HA . 16584 4 171 2JN_HA . 1 1 252 252 GLU N N 15 1 . 1 1 252 252 GLU HA H 1 1 -0.32 . . 0.50 . . 1 250 Glu N 1 250 Glu HA . 16584 4 172 2JN_HA . 1 1 253 253 VAL N N 15 1 . 1 1 253 253 VAL HA H 1 1 -0.00 . . 0.50 . . 1 251 Val N 1 251 Val HA . 16584 4 173 2JN_HA . 1 1 254 254 PHE N N 15 1 . 1 1 254 254 PHE HA H 1 1 -2.94 . . 0.50 . . 1 252 Phe N 1 252 Phe HA . 16584 4 174 2JN_HA . 1 1 257 257 ASP N N 15 1 . 1 1 257 257 ASP HA H 1 1 0.16 . . 0.50 . . 1 255 Asp N 1 255 Asp HA . 16584 4 175 2JN_HA . 1 1 260 260 GLN N N 15 1 . 1 1 260 260 GLN HA H 1 1 -0.69 . . 0.50 . . 1 258 Gln N 1 258 Gln HA . 16584 4 176 2JN_HA . 1 1 263 263 MET N N 15 1 . 1 1 263 263 MET HA H 1 1 -0.90 . . 0.50 . . 1 261 Met N 1 261 Met HA . 16584 4 177 2JN_HA . 1 1 265 265 ILE N N 15 1 . 1 1 265 265 ILE HA H 1 1 1.42 . . 0.50 . . 1 263 Ile N 1 263 Ile HA . 16584 4 178 2JN_HA . 1 1 266 266 ARG N N 15 1 . 1 1 266 266 ARG HA H 1 1 -0.36 . . 0.50 . . 1 264 Arg N 1 264 Arg HA . 16584 4 179 2JN_HA . 1 1 267 267 CYS N N 15 1 . 1 1 267 267 CYS HA H 1 1 0.41 . . 0.50 . . 1 265 Cys N 1 265 Cys HA . 16584 4 180 2JN_HA . 1 1 269 269 PHE N N 15 1 . 1 1 269 269 PHE HA H 1 1 0.28 . . 0.50 . . 1 267 Phe N 1 267 Phe HA . 16584 4 181 2JN_HA . 1 1 270 270 GLU N N 15 1 . 1 1 270 270 GLU HA H 1 1 -0.19 . . 0.50 . . 1 268 Glu N 1 268 Glu HA . 16584 4 182 2JN_HA . 1 1 271 271 LYS N N 15 1 . 1 1 271 271 LYS HA H 1 1 3.94 . . 0.50 . . 1 269 Lys N 1 269 Lys HA . 16584 4 183 2JN_HA . 1 1 275 275 LEU N N 15 1 . 1 1 275 275 LEU HA H 1 1 -0.17 . . 0.50 . . 1 273 Leu N 1 273 Leu HA . 16584 4 184 2JN_HA . 1 1 276 276 HIS N N 15 1 . 1 1 276 276 HIS HA H 1 1 -0.18 . . 0.50 . . 1 274 His N 1 274 His HA . 16584 4 185 2JN_HA . 1 1 277 277 PHE N N 15 1 . 1 1 277 277 PHE HA H 1 1 -1.33 . . 0.50 . . 1 275 Phe N 1 275 Phe HA . 16584 4 186 2JN_HA . 1 1 278 278 LYS N N 15 1 . 1 1 278 278 LYS HA H 1 1 -2.14 . . 0.50 . . 1 276 Lys N 1 276 Lys HA . 16584 4 187 2JN_HA . 1 1 280 280 GLN N N 15 1 . 1 1 280 280 GLN HA H 1 1 -1.08 . . 0.50 . . 1 278 Gln N 1 278 Gln HA . 16584 4 188 2JN_HA . 1 1 281 281 THR N N 15 1 . 1 1 281 281 THR HA H 1 1 -0.07 . . 0.50 . . 1 279 Thr N 1 279 Thr HA . 16584 4 189 2JN_HA . 1 1 282 282 LYS N N 15 1 . 1 1 282 282 LYS HA H 1 1 0.86 . . 0.50 . . 1 280 Lys N 1 280 Lys HA . 16584 4 190 2JN_HA . 1 1 283 283 THR N N 15 1 . 1 1 283 283 THR HA H 1 1 -0.93 . . 0.50 . . 1 281 Thr N 1 281 Thr HA . 16584 4 191 2JN_HA . 1 1 284 284 ILE N N 15 1 . 1 1 284 284 ILE HA H 1 1 0.06 . . 0.50 . . 1 282 Ile N 1 282 Ile HA . 16584 4 192 2JN_HA . 1 1 285 285 PHE N N 15 1 . 1 1 285 285 PHE HA H 1 1 -1.67 . . 0.50 . . 1 283 Phe N 1 283 Phe HA . 16584 4 193 2JN_HA . 1 1 286 286 VAL N N 15 1 . 1 1 286 286 VAL HA H 1 1 0.66 . . 0.50 . . 1 284 Val N 1 284 Val HA . 16584 4 194 2JN_HA . 1 1 287 287 THR N N 15 1 . 1 1 287 287 THR HA H 1 1 0.28 . . 0.50 . . 1 285 Thr N 1 285 Thr HA . 16584 4 195 2JN_HA . 1 1 288 288 GLU N N 15 1 . 1 1 288 288 GLU HA H 1 1 2.40 . . 0.50 . . 1 286 Glu N 1 286 Glu HA . 16584 4 196 2JN_HA . 1 1 290 290 GLU N N 15 1 . 1 1 290 290 GLU HA H 1 1 -1.51 . . 0.50 . . 1 288 Glu N 1 288 Glu HA . 16584 4 197 2JN_HA . 1 1 291 291 ASN N N 15 1 . 1 1 291 291 ASN HA H 1 1 2.50 . . 0.50 . . 1 289 Asn N 1 289 Asn HA . 16584 4 198 2JN_HA . 1 1 292 292 ASN N N 15 1 . 1 1 292 292 ASN HA H 1 1 1.85 . . 0.50 . . 1 290 Asn N 1 290 Asn HA . 16584 4 199 2JN_HA . 1 1 293 293 ALA N N 15 1 . 1 1 293 293 ALA HA H 1 1 0.84 . . 0.50 . . 1 291 Ala N 1 291 Ala HA . 16584 4 200 2JN_HA . 1 1 294 294 VAL N N 15 1 . 1 1 294 294 VAL HA H 1 1 -0.90 . . 0.50 . . 1 292 Val N 1 292 Val HA . 16584 4 201 2JN_HA . 1 1 295 295 TRP N N 15 1 . 1 1 295 295 TRP HA H 1 1 -0.06 . . 0.50 . . 1 293 Trp N 1 293 Trp HA . 16584 4 202 2JN_HA . 1 1 296 296 LYS N N 15 1 . 1 1 296 296 LYS HA H 1 1 -1.45 . . 0.50 . . 1 294 Lys N 1 294 Lys HA . 16584 4 203 2JN_HA . 1 1 297 297 PHE N N 15 1 . 1 1 297 297 PHE HA H 1 1 -2.48 . . 0.50 . . 1 295 Phe N 1 295 Phe HA . 16584 4 204 2JN_HA . 1 1 299 299 TRP N N 15 1 . 1 1 299 299 TRP HA H 1 1 1.05 . . 0.50 . . 1 297 Trp N 1 297 Trp HA . 16584 4 205 2JN_HA . 1 1 301 301 ARG N N 15 1 . 1 1 301 301 ARG HA H 1 1 -2.41 . . 0.50 . . 1 299 Arg N 1 299 Arg HA . 16584 4 206 2JN_HA . 1 1 302 302 ASN N N 15 1 . 1 1 302 302 ASN HA H 1 1 -0.65 . . 0.50 . . 1 300 Asn N 1 300 Asn HA . 16584 4 207 2JN_HA . 1 1 305 305 LYS N N 15 1 . 1 1 305 305 LYS HA H 1 1 -0.07 . . 0.50 . . 1 303 Lys N 1 303 Lys HA . 16584 4 208 2JN_HA . 1 1 306 306 GLN N N 15 1 . 1 1 306 306 GLN HA H 1 1 -0.80 . . 0.50 . . 1 304 Gln N 1 304 Gln HA . 16584 4 209 2JN_HA . 1 1 307 307 TYR N N 15 1 . 1 1 307 307 TYR HA H 1 1 -0.65 . . 0.50 . . 1 305 Tyr N 1 305 Tyr HA . 16584 4 210 2JN_HA . 1 1 308 308 CYS N N 15 1 . 1 1 308 308 CYS HA H 1 1 -3.67 . . 0.50 . . 1 306 Cys N 1 306 Cys HA . 16584 4 211 2JN_HA . 1 1 309 309 GLU N N 15 1 . 1 1 309 309 GLU HA H 1 1 0.65 . . 0.50 . . 1 307 Glu N 1 307 Glu HA . 16584 4 212 2JN_HA . 1 1 310 310 THR N N 15 1 . 1 1 310 310 THR HA H 1 1 -0.87 . . 0.50 . . 1 308 Thr N 1 308 Thr HA . 16584 4 213 2JN_HA . 1 1 311 311 LEU N N 15 1 . 1 1 311 311 LEU HA H 1 1 1.19 . . 0.50 . . 1 309 Leu N 1 309 Leu HA . 16584 4 214 2JN_HA . 1 1 312 312 LYS N N 15 1 . 1 1 312 312 LYS HA H 1 1 1.20 . . 0.50 . . 1 310 Lys N 1 310 Lys HA . 16584 4 215 2JN_HA . 1 1 313 313 PHE N N 15 1 . 1 1 313 313 PHE HA H 1 1 1.90 . . 0.50 . . 1 311 Phe N 1 311 Phe HA . 16584 4 stop_ save_