data_17695 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17695 _Entry.Title ; Backbone Chemical Shift Assignments of the Extracellular domain of GLIC, a prokaryotic nAChR homologue ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-09 _Entry.Accession_date 2011-06-09 _Entry.Last_release_date 2012-01-04 _Entry.Original_release_date 2012-01-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'GLIC ECD (193 a.a) recombionant polypeptide expressed in E.coli studied through NMR spectroscopy' _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 Christos Chasapis . T. . 17695 2 Aikaterini Argyriou . I. . 17695 3 Pierre-Jean Corringer . . . 17695 4 Detlef Bentrop . T. . 17695 5 Georgios Spyroulias . A. . 17695 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17695 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 354 17695 '15N chemical shifts' 144 17695 '1H chemical shifts' 144 17695 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-01-04 2011-06-09 original author . 17695 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1UV6 'Nicotine and carbamylcholine binding to nicotinic acetylcholine receptors as studied in AChBP crystal structures.' 17695 PDB 1YI5 'Crystal structure of the a-cobratoxin-AChBP complex' 17695 PDB 2BG9 'Refined structure of the nicotinic acetylcholine receptor at 4A resolution.' 17695 PDB 2QC1 'Crystal structure of the extracellular domain of the nicotinic acetylcholine receptor 1 subunit bound to alpha-bungarotoxin' 17695 PDB 2VL0 'X-RAY STRUCTURE OF A PENTAMERIC LIGAND GATED ION CHANNEL FROM ERWINIA CHRYSANTHEMI (ELIC)' 17695 PDB 3EAM 'X-ray structure of a pentameric ligand-gated ion channel in an apparently open conformation.' 17695 PDB 3IGQ 'Crystal structure of the extracellular domain of a bacterial ligand-gated ion channel.' 17695 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17695 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22007668 _Citation.Full_citation . _Citation.Title 'Unravelling the conformational plasticity of the extracellular domain of a prokaryotic nAChR homologue in solution by NMR' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 50 _Citation.Journal_issue 45 _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 9681 _Citation.Page_last 9683 _Citation.Year 2011 _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 Christos Chasapis . T. . 17695 1 2 Aikaterini Argyriou . I. . 17695 1 3 Pierre-Jean Corringer . . . 17695 1 4 Detlef Bentrop . T. . 17695 1 5 Georgios Spyroulias . A. . 17695 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'conformational exchange' 17695 1 'Cys-loop receptors' 17695 1 'Gloeobacter violaceus' 17695 1 'nAChR prokaryotic homologue' 17695 1 'NMR spectroscopy' 17695 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17695 _Assembly.ID 1 _Assembly.Name 'Extracellular domain of GLIC' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 22079.9 _Assembly.Enzyme_commission_number . _Assembly.Details 'monomer in solution' _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 'GLIC ECD' 1 $GLIC_ECD A . yes native no no . . . 17695 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GLIC_ECD _Entity.Sf_category entity _Entity.Sf_framecode GLIC_ECD _Entity.Entry_ID 17695 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GLIC_ECD _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 ; MQDMVSPPPPIADEPLTVNT GIYLIECYSLDDKAETFKVN AFLSLSWKDRRLAFDPVRSG VRVKTYEPEAIWIPEIRFVN VENARDADVVDISVSPDGTV QYLERFSARVLSPLDGRRTE SDSQTLHIYLIVRSVDTRNI VLAVDLEKVGKNDDVFLTGW DIESFTAVVKPANFALEDRL ESKLDYQLRISRQGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '1 MET' _Entity.Polymer_author_seq_details 'The residues: 194 GLY and 195 GLY are cloning artifacts' _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 195 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Extracellular N terminal domain of GLIC' _Entity.Mutation 'F116G, Y119T, P120E, F121S' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 22079.9 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Four hydrophobic residues FRRYPF in the Cys loop were substituted by the corresponding hydrophilic GRRTES' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2XQ3 . "Pentameric Ligand Gated Ion Channel Glic In Complex With Br-Lidocaine" . . . . . 98.46 317 97.92 97.92 6.54e-130 . . . . 17695 1 2 no PDB 2XQ4 . "Pentameric Ligand Gated Ion Channel Glic In Complex With Tetramethylarsonium (Tmas)" . . . . . 98.46 317 97.92 97.92 6.54e-130 . . . . 17695 1 3 no PDB 2XQ5 . "Pentameric Ligand Gated Ion Channel Glic In Complex With Tetraethylarsonium (Teas)" . . . . . 98.46 317 97.92 97.92 6.54e-130 . . . . 17695 1 4 no PDB 2XQ6 . "Pentameric Ligand Gated Ion Channel Glic In Complex With Cesium Ion (Cs+)" . . . . . 98.46 317 97.92 97.92 6.54e-130 . . . . 17695 1 5 no PDB 2XQ7 . "Pentameric Ligand Gated Ion Channel Glic In Complex With Cadmium Ion (Cd2+)" . . . . . 98.46 317 97.92 97.92 6.54e-130 . . . . 17695 1 6 no PDB 2XQ8 . "Pentameric Ligand Gated Ion Channel Glic In Complex With Zinc Ion (Zn2+)" . . . . . 98.46 317 97.92 97.92 6.54e-130 . . . . 17695 1 7 no PDB 2XQ9 . "Pentameric Ligand Gated Ion Channel Glic Mutant E221a In Complex With Tetraethylarsonium (Teas)" . . . . . 98.46 317 97.92 97.92 8.22e-130 . . . . 17695 1 8 no PDB 2XQA . "Pentameric Ligand Gated Ion Channel Glic In Complex With Tetrabutylantimony (Tbsb)" . . . . . 98.46 317 97.92 97.92 6.54e-130 . . . . 17695 1 9 no PDB 3EAM . "An Open-Pore Structure Of A Bacterial Pentameric Ligand- Gated Ion Channel" . . . . . 98.46 317 97.92 97.92 4.98e-130 . . . . 17695 1 10 no PDB 3EHZ . "X-Ray Structure Of The Pentameric Ligand Gated Ion Channel Of Gloebacter Violaceus (Glic) In A Presumptive Open Conformation" . . . . . 98.46 317 97.92 97.92 6.54e-130 . . . . 17695 1 11 no PDB 3EI0 . "Structure Of The E221a Mutant Of The Gloebacter Violaceus Pentameric Ligand Gated Ion Channnel (Glic)" . . . . . 98.46 317 97.92 97.92 4.92e-130 . . . . 17695 1 12 no PDB 3IGQ . "Crystal Structure Of The Extracellular Domain Of A Bacterial Pentameric Ligand-gated Ion Channel" . . . . . 99.49 201 100.00 100.00 9.96e-137 . . . . 17695 1 13 no PDB 3LSV . "Structure Of The A237f Mutant Of The Pentameric Ligand Gated Channel From Gloeobacter Violaceus" . . . . . 98.46 317 97.92 97.92 4.51e-130 . . . . 17695 1 14 no PDB 3P4W . "Structure Of Desflurane Bound To A Pentameric Ligand-Gated Ion Channel, Glic" . . . . . 98.46 318 97.92 97.92 5.93e-130 . . . . 17695 1 15 no PDB 3P50 . "Structure Of Propofol Bound To A Pentameric Ligand-Gated Ion Channel, Glic" . . . . . 98.46 318 97.92 97.92 5.93e-130 . . . . 17695 1 16 no PDB 3TLS . "The Glic Pentameric Ligand-Gated Ion Channel E19'p Mutant In A Locally-Closed Conformation (Lc2 Subtype)" . . . . . 98.46 321 97.92 97.92 5.58e-130 . . . . 17695 1 17 no PDB 3TLT . "The Glic Pentameric Ligand-Gated Ion Channel H11'f Mutant In A Locally-Closed Conformation (Lc1 Subtype)" . . . . . 98.46 321 97.92 97.92 4.89e-130 . . . . 17695 1 18 no PDB 4F8H . "X-Ray Structure Of The Anesthetic Ketamine Bound To The Glic Pentameric Ligand-Gated Ion Channel" . . . . . 98.46 317 97.92 97.92 6.54e-130 . . . . 17695 1 19 no PDB 4HFB . "The Glic Pentameric Ligand-gated Ion Channel F14'a Ethanol-sensitive Mutant (apo)" . . . . . 98.46 317 97.92 97.92 4.87e-130 . . . . 17695 1 20 no PDB 4HFC . "The Glic Pentameric Ligand-gated Ion Channel F14'a Ethanol-sensitive Mutant Complexed To 2-bromo-ethanol" . . . . . 98.46 317 97.92 97.92 4.87e-130 . . . . 17695 1 21 no PDB 4HFD . "The Glic Pentameric Ligand-gated Ion Channel F14'a Ethanol-sensitive Mutant Complexed To Bromoform" . . . . . 98.46 317 97.92 97.92 4.87e-130 . . . . 17695 1 22 no PDB 4HFE . "The Glic Pentameric Ligand-gated Ion Channel F14'a Ethanol-sensitive Mutant Complexed To Ethanol" . . . . . 98.46 317 97.92 97.92 4.87e-130 . . . . 17695 1 23 no PDB 4HFH . "The Glic Pentameric Ligand-gated Ion Channel (wild-type) Complexed To Bromoform" . . . . . 98.46 317 97.92 97.92 4.98e-130 . . . . 17695 1 24 no PDB 4HFI . "The Glic Pentameric Ligand-gated Ion Channel At 2.4 A Resolution" . . . . . 98.46 317 97.92 97.92 4.98e-130 . . . . 17695 1 25 no PDB 4IL4 . "The Pentameric Ligand-gated Ion Channel Glic In Complex With Se-ddm" . . . . . 98.46 317 97.92 97.92 4.98e-130 . . . . 17695 1 26 no PDB 4IL9 . "The Pentameric Ligand-gated Ion Channel Glic A237f In Complex With Bromide" . . . . . 98.46 320 97.92 97.92 4.20e-130 . . . . 17695 1 27 no PDB 4ILA . "The Pentameric Ligand-gated Ion Channel Glic A237f In Complex With Cesium" . . . . . 98.46 320 97.92 97.92 4.20e-130 . . . . 17695 1 28 no PDB 4ILB . "The Pentameric Ligand-gated Ion Channel Glic A237f In Complex With Rubidium" . . . . . 98.46 320 97.92 97.92 4.20e-130 . . . . 17695 1 29 no PDB 4ILC . "The Glic Pentameric Ligand-gated Ion Channel In Complex With Sulfates" . . . . . 98.46 320 97.92 97.92 4.73e-130 . . . . 17695 1 30 no PDB 4LMJ . "Glic Liganded-closed-channel Conformation, Mutant T25'a" . . . . . 98.46 318 97.92 97.92 6.84e-130 . . . . 17695 1 31 no PDB 4LMK . "Glic Liganded-closed-channel Conformation, Mutant Y27'a" . . . . . 98.46 318 97.92 97.92 6.06e-130 . . . . 17695 1 32 no PDB 4LML . "Glic Double Mutant I9'a T25'a" . . . . . 98.46 318 97.92 97.92 4.57e-130 . . . . 17695 1 33 no PDB 4NPP . "The Glic-his10 Wild-type Structure In Equilibrium Between The Open And Locally-closed (lc) Forms" . . . . . 98.46 329 97.92 97.92 3.49e-130 . . . . 17695 1 34 no PDB 4NPQ . "The Resting-state Conformation Of The Glic Ligand-gated Ion Channel" . . . . . 98.46 318 97.92 97.92 5.93e-130 . . . . 17695 1 35 no PDB 4QH1 . "The Glic Pentameric Ligand-gated Ion Channel (wild-type) In Complex With Bromoacetate" . . . . . 98.46 316 97.92 97.92 5.48e-130 . . . . 17695 1 36 no PDB 4QH4 . "The Glic Pentameric Ligand-gated Ion Channel (wild-type) Crystallized In Acetate Buffer At Ph3" . . . . . 98.46 316 97.92 97.92 5.48e-130 . . . . 17695 1 37 no PDB 4QH5 . "The Glic Pentameric Ligand-gated Ion Channel (wild-type) Crystallized In Phosphate Buffer" . . . . . 98.46 316 97.92 97.92 5.48e-130 . . . . 17695 1 38 no PDB 4X5T . "Alpha 1 Glycine Receptor Transmembrane Structure Fused To The Extracellular Domain Of Glic" . . . . . 99.49 330 97.42 97.42 3.45e-130 . . . . 17695 1 39 no DBJ BAC92138 . "glr4197 [Gloeobacter violaceus PCC 7421]" . . . . . 98.46 359 97.92 97.92 4.69e-129 . . . . 17695 1 40 no REF NP_927143 . "hypothetical protein glr4197 [Gloeobacter violaceus PCC 7421]" . . . . . 98.46 359 97.92 97.92 4.69e-129 . . . . 17695 1 41 no REF WP_011144181 . "proton-gated ion channel [Gloeobacter violaceus]" . . . . . 98.46 359 97.92 97.92 4.69e-129 . . . . 17695 1 42 no SP Q7NDN8 . "RecName: Full=Proton-gated ion channel; AltName: Full=GLIC; AltName: Full=Ligand-gated ion channel; Short=LGIC; Flags: Precurso" . . . . . 98.46 359 97.92 97.92 4.69e-129 . . . . 17695 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Ligand-gated ion Channel (LGIC)' 17695 1 'Membrane and transport protein' 17695 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 . MET . 17695 1 2 . GLN . 17695 1 3 . ASP . 17695 1 4 . MET . 17695 1 5 . VAL . 17695 1 6 . SER . 17695 1 7 . PRO . 17695 1 8 . PRO . 17695 1 9 . PRO . 17695 1 10 . PRO . 17695 1 11 . ILE . 17695 1 12 . ALA . 17695 1 13 . ASP . 17695 1 14 . GLU . 17695 1 15 . PRO . 17695 1 16 . LEU . 17695 1 17 . THR . 17695 1 18 . VAL . 17695 1 19 . ASN . 17695 1 20 . THR . 17695 1 21 . GLY . 17695 1 22 . ILE . 17695 1 23 . TYR . 17695 1 24 . LEU . 17695 1 25 . ILE . 17695 1 26 . GLU . 17695 1 27 . CYS . 17695 1 28 . TYR . 17695 1 29 . SER . 17695 1 30 . LEU . 17695 1 31 . ASP . 17695 1 32 . ASP . 17695 1 33 . LYS . 17695 1 34 . ALA . 17695 1 35 . GLU . 17695 1 36 . THR . 17695 1 37 . PHE . 17695 1 38 . LYS . 17695 1 39 . VAL . 17695 1 40 . ASN . 17695 1 41 . ALA . 17695 1 42 . PHE . 17695 1 43 . LEU . 17695 1 44 . SER . 17695 1 45 . LEU . 17695 1 46 . SER . 17695 1 47 . TRP . 17695 1 48 . LYS . 17695 1 49 . ASP . 17695 1 50 . ARG . 17695 1 51 . ARG . 17695 1 52 . LEU . 17695 1 53 . ALA . 17695 1 54 . PHE . 17695 1 55 . ASP . 17695 1 56 . PRO . 17695 1 57 . VAL . 17695 1 58 . ARG . 17695 1 59 . SER . 17695 1 60 . GLY . 17695 1 61 . VAL . 17695 1 62 . ARG . 17695 1 63 . VAL . 17695 1 64 . LYS . 17695 1 65 . THR . 17695 1 66 . TYR . 17695 1 67 . GLU . 17695 1 68 . PRO . 17695 1 69 . GLU . 17695 1 70 . ALA . 17695 1 71 . ILE . 17695 1 72 . TRP . 17695 1 73 . ILE . 17695 1 74 . PRO . 17695 1 75 . GLU . 17695 1 76 . ILE . 17695 1 77 . ARG . 17695 1 78 . PHE . 17695 1 79 . VAL . 17695 1 80 . ASN . 17695 1 81 . VAL . 17695 1 82 . GLU . 17695 1 83 . ASN . 17695 1 84 . ALA . 17695 1 85 . ARG . 17695 1 86 . ASP . 17695 1 87 . ALA . 17695 1 88 . ASP . 17695 1 89 . VAL . 17695 1 90 . VAL . 17695 1 91 . ASP . 17695 1 92 . ILE . 17695 1 93 . SER . 17695 1 94 . VAL . 17695 1 95 . SER . 17695 1 96 . PRO . 17695 1 97 . ASP . 17695 1 98 . GLY . 17695 1 99 . THR . 17695 1 100 . VAL . 17695 1 101 . GLN . 17695 1 102 . TYR . 17695 1 103 . LEU . 17695 1 104 . GLU . 17695 1 105 . ARG . 17695 1 106 . PHE . 17695 1 107 . SER . 17695 1 108 . ALA . 17695 1 109 . ARG . 17695 1 110 . VAL . 17695 1 111 . LEU . 17695 1 112 . SER . 17695 1 113 . PRO . 17695 1 114 . LEU . 17695 1 115 . ASP . 17695 1 116 . GLY . 17695 1 117 . ARG . 17695 1 118 . ARG . 17695 1 119 . THR . 17695 1 120 . GLU . 17695 1 121 . SER . 17695 1 122 . ASP . 17695 1 123 . SER . 17695 1 124 . GLN . 17695 1 125 . THR . 17695 1 126 . LEU . 17695 1 127 . HIS . 17695 1 128 . ILE . 17695 1 129 . TYR . 17695 1 130 . LEU . 17695 1 131 . ILE . 17695 1 132 . VAL . 17695 1 133 . ARG . 17695 1 134 . SER . 17695 1 135 . VAL . 17695 1 136 . ASP . 17695 1 137 . THR . 17695 1 138 . ARG . 17695 1 139 . ASN . 17695 1 140 . ILE . 17695 1 141 . VAL . 17695 1 142 . LEU . 17695 1 143 . ALA . 17695 1 144 . VAL . 17695 1 145 . ASP . 17695 1 146 . LEU . 17695 1 147 . GLU . 17695 1 148 . LYS . 17695 1 149 . VAL . 17695 1 150 . GLY . 17695 1 151 . LYS . 17695 1 152 . ASN . 17695 1 153 . ASP . 17695 1 154 . ASP . 17695 1 155 . VAL . 17695 1 156 . PHE . 17695 1 157 . LEU . 17695 1 158 . THR . 17695 1 159 . GLY . 17695 1 160 . TRP . 17695 1 161 . ASP . 17695 1 162 . ILE . 17695 1 163 . GLU . 17695 1 164 . SER . 17695 1 165 . PHE . 17695 1 166 . THR . 17695 1 167 . ALA . 17695 1 168 . VAL . 17695 1 169 . VAL . 17695 1 170 . LYS . 17695 1 171 . PRO . 17695 1 172 . ALA . 17695 1 173 . ASN . 17695 1 174 . PHE . 17695 1 175 . ALA . 17695 1 176 . LEU . 17695 1 177 . GLU . 17695 1 178 . ASP . 17695 1 179 . ARG . 17695 1 180 . LEU . 17695 1 181 . GLU . 17695 1 182 . SER . 17695 1 183 . LYS . 17695 1 184 . LEU . 17695 1 185 . ASP . 17695 1 186 . TYR . 17695 1 187 . GLN . 17695 1 188 . LEU . 17695 1 189 . ARG . 17695 1 190 . ILE . 17695 1 191 . SER . 17695 1 192 . ARG . 17695 1 193 . GLN . 17695 1 194 . GLY . 17695 1 195 . GLY . 17695 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 . MET 1 1 17695 1 . GLN 2 2 17695 1 . ASP 3 3 17695 1 . MET 4 4 17695 1 . VAL 5 5 17695 1 . SER 6 6 17695 1 . PRO 7 7 17695 1 . PRO 8 8 17695 1 . PRO 9 9 17695 1 . PRO 10 10 17695 1 . ILE 11 11 17695 1 . ALA 12 12 17695 1 . ASP 13 13 17695 1 . GLU 14 14 17695 1 . PRO 15 15 17695 1 . LEU 16 16 17695 1 . THR 17 17 17695 1 . VAL 18 18 17695 1 . ASN 19 19 17695 1 . THR 20 20 17695 1 . GLY 21 21 17695 1 . ILE 22 22 17695 1 . TYR 23 23 17695 1 . LEU 24 24 17695 1 . ILE 25 25 17695 1 . GLU 26 26 17695 1 . CYS 27 27 17695 1 . TYR 28 28 17695 1 . SER 29 29 17695 1 . LEU 30 30 17695 1 . ASP 31 31 17695 1 . ASP 32 32 17695 1 . LYS 33 33 17695 1 . ALA 34 34 17695 1 . GLU 35 35 17695 1 . THR 36 36 17695 1 . PHE 37 37 17695 1 . LYS 38 38 17695 1 . VAL 39 39 17695 1 . ASN 40 40 17695 1 . ALA 41 41 17695 1 . PHE 42 42 17695 1 . LEU 43 43 17695 1 . SER 44 44 17695 1 . LEU 45 45 17695 1 . SER 46 46 17695 1 . TRP 47 47 17695 1 . LYS 48 48 17695 1 . ASP 49 49 17695 1 . ARG 50 50 17695 1 . ARG 51 51 17695 1 . LEU 52 52 17695 1 . ALA 53 53 17695 1 . PHE 54 54 17695 1 . ASP 55 55 17695 1 . PRO 56 56 17695 1 . VAL 57 57 17695 1 . ARG 58 58 17695 1 . SER 59 59 17695 1 . GLY 60 60 17695 1 . VAL 61 61 17695 1 . ARG 62 62 17695 1 . VAL 63 63 17695 1 . LYS 64 64 17695 1 . THR 65 65 17695 1 . TYR 66 66 17695 1 . GLU 67 67 17695 1 . PRO 68 68 17695 1 . GLU 69 69 17695 1 . ALA 70 70 17695 1 . ILE 71 71 17695 1 . TRP 72 72 17695 1 . ILE 73 73 17695 1 . PRO 74 74 17695 1 . GLU 75 75 17695 1 . ILE 76 76 17695 1 . ARG 77 77 17695 1 . PHE 78 78 17695 1 . VAL 79 79 17695 1 . ASN 80 80 17695 1 . VAL 81 81 17695 1 . GLU 82 82 17695 1 . ASN 83 83 17695 1 . ALA 84 84 17695 1 . ARG 85 85 17695 1 . ASP 86 86 17695 1 . ALA 87 87 17695 1 . ASP 88 88 17695 1 . VAL 89 89 17695 1 . VAL 90 90 17695 1 . ASP 91 91 17695 1 . ILE 92 92 17695 1 . SER 93 93 17695 1 . VAL 94 94 17695 1 . SER 95 95 17695 1 . PRO 96 96 17695 1 . ASP 97 97 17695 1 . GLY 98 98 17695 1 . THR 99 99 17695 1 . VAL 100 100 17695 1 . GLN 101 101 17695 1 . TYR 102 102 17695 1 . LEU 103 103 17695 1 . GLU 104 104 17695 1 . ARG 105 105 17695 1 . PHE 106 106 17695 1 . SER 107 107 17695 1 . ALA 108 108 17695 1 . ARG 109 109 17695 1 . VAL 110 110 17695 1 . LEU 111 111 17695 1 . SER 112 112 17695 1 . PRO 113 113 17695 1 . LEU 114 114 17695 1 . ASP 115 115 17695 1 . GLY 116 116 17695 1 . ARG 117 117 17695 1 . ARG 118 118 17695 1 . THR 119 119 17695 1 . GLU 120 120 17695 1 . SER 121 121 17695 1 . ASP 122 122 17695 1 . SER 123 123 17695 1 . GLN 124 124 17695 1 . THR 125 125 17695 1 . LEU 126 126 17695 1 . HIS 127 127 17695 1 . ILE 128 128 17695 1 . TYR 129 129 17695 1 . LEU 130 130 17695 1 . ILE 131 131 17695 1 . VAL 132 132 17695 1 . ARG 133 133 17695 1 . SER 134 134 17695 1 . VAL 135 135 17695 1 . ASP 136 136 17695 1 . THR 137 137 17695 1 . ARG 138 138 17695 1 . ASN 139 139 17695 1 . ILE 140 140 17695 1 . VAL 141 141 17695 1 . LEU 142 142 17695 1 . ALA 143 143 17695 1 . VAL 144 144 17695 1 . ASP 145 145 17695 1 . LEU 146 146 17695 1 . GLU 147 147 17695 1 . LYS 148 148 17695 1 . VAL 149 149 17695 1 . GLY 150 150 17695 1 . LYS 151 151 17695 1 . ASN 152 152 17695 1 . ASP 153 153 17695 1 . ASP 154 154 17695 1 . VAL 155 155 17695 1 . PHE 156 156 17695 1 . LEU 157 157 17695 1 . THR 158 158 17695 1 . GLY 159 159 17695 1 . TRP 160 160 17695 1 . ASP 161 161 17695 1 . ILE 162 162 17695 1 . GLU 163 163 17695 1 . SER 164 164 17695 1 . PHE 165 165 17695 1 . THR 166 166 17695 1 . ALA 167 167 17695 1 . VAL 168 168 17695 1 . VAL 169 169 17695 1 . LYS 170 170 17695 1 . PRO 171 171 17695 1 . ALA 172 172 17695 1 . ASN 173 173 17695 1 . PHE 174 174 17695 1 . ALA 175 175 17695 1 . LEU 176 176 17695 1 . GLU 177 177 17695 1 . ASP 178 178 17695 1 . ARG 179 179 17695 1 . LEU 180 180 17695 1 . GLU 181 181 17695 1 . SER 182 182 17695 1 . LYS 183 183 17695 1 . LEU 184 184 17695 1 . ASP 185 185 17695 1 . TYR 186 186 17695 1 . GLN 187 187 17695 1 . LEU 188 188 17695 1 . ARG 189 189 17695 1 . ILE 190 190 17695 1 . SER 191 191 17695 1 . ARG 192 192 17695 1 . GLN 193 193 17695 1 . GLY 194 194 17695 1 . GLY 195 195 17695 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17695 _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 $GLIC_ECD . 33072 organism . 'Gloeobacter violaceus' 'Gloeobacter violaceus' . . Bacteria . Gloeobacter violaceus 'PCC 7421' . . . . . . . . . . . . . . . glr4197 . . . . 17695 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 17695 _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 $GLIC_ECD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET20b+ . . . . . . 17695 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17695 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'GLIC ECD' '[U-98% 13C; U-98% 15N]' . . 1 $GLIC_ECD . . 0.6 . . mM . . . . 17695 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17695 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17695 1 4 Pi 'natural abundance' . . . . . . 50 . . mM . . . . 17695 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17695 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'GLIC ECD' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $GLIC_ECD . . 0.6 . . mM . . . . 17695 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17695 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17695 2 4 Pi 'natural abundance' . . . . . . 50 . . mM . . . . 17695 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17695 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'GLIC ECD' [U-15N]-Leu . . 1 $GLIC_ECD . . 0.6 . . mM . . . . 17695 3 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17695 3 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17695 3 4 Pi 'natural abundance' . . . . . . 50 . . mM . . . . 17695 3 stop_ save_ save_sample_4-15 _Sample.Sf_category sample _Sample.Sf_framecode sample_4-15 _Sample.Entry_ID 17695 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Specific labeling with [U-15N]-Lys/Phe/Tyr/Ala/Val/Ile/Asp/Glu and reverse labeling 15N-GLIC[U-14N]-Arg/His/Asn ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'GLIC ECD' [U-15N] . . 1 $GLIC_ECD . . . 0.3 0.5 mM . . . . 17695 4 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17695 4 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17695 4 4 Pi 'natural abundance' . . . . . . 50 . . mM . . . . 17695 4 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 17695 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 17695 1 pH 7.2 . pH 17695 1 pressure 1 . atm 17695 1 temperature 298 . K 17695 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 17695 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 17695 2 pH 7.2 . pH 17695 2 pressure 1 . atm 17695 2 temperature 308 . K 17695 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17695 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17695 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17695 1 processing 17695 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17695 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17695 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17695 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 17695 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with Cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17695 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'equipped with Cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 17695 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'equipped with Cryoprobe' . . 17695 1 2 spectrometer_2 Bruker Avance . 900 'equipped with Cryoprobe' . . 17695 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 17695 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17695 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17695 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17695 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17695 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17695 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17695 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17695 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17695 1 9 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17695 1 10 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17695 1 11 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17695 1 12 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17695 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17695 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17695 1 15 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_4-15 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17695 1 16 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_4-15 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17695 1 17 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17695 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17695 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.251449530 . . . . . . . . . 17695 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17695 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . . . . . 17695 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17695 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 9 '3D HNCA' . . . 17695 1 10 '3D HN(CO)CA' . . . 17695 1 11 '3D CBCA(CO)NH' . . . 17695 1 12 '3D C(CO)NH' . . . 17695 1 13 '2D 1H-15N HSQC' . . . 17695 1 14 '2D 1H-15N HSQC' . . . 17695 1 15 '2D 1H-15N HSQC' . . . 17695 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ASP H H 1 8.457 0.0015 . 1 . . . . 3 ASP H . 17695 1 2 . 1 1 3 3 ASP C C 13 176.431 0.0015 . 1 . . . . 3 ASP C . 17695 1 3 . 1 1 3 3 ASP CA C 13 54.259 0.0015 . 1 . . . . 3 ASP CA . 17695 1 4 . 1 1 3 3 ASP CB C 13 40.267 0.0015 . 1 . . . . 3 ASP CB . 17695 1 5 . 1 1 3 3 ASP N N 15 122.512 0.0015 . 1 . . . . 3 ASP N . 17695 1 6 . 1 1 4 4 MET H H 1 8.376 0.0015 . 1 . . . . 4 MET H . 17695 1 7 . 1 1 4 4 MET C C 13 176.146 0.0015 . 1 . . . . 4 MET C . 17695 1 8 . 1 1 4 4 MET CA C 13 55.126 0.0015 . 1 . . . . 4 MET CA . 17695 1 9 . 1 1 4 4 MET CB C 13 31.529 0.0015 . 1 . . . . 4 MET CB . 17695 1 10 . 1 1 4 4 MET N N 15 120.923 0.0015 . 1 . . . . 4 MET N . 17695 1 11 . 1 1 5 5 VAL H H 1 7.840 0.0015 . 1 . . . . 5 VAL H . 17695 1 12 . 1 1 5 5 VAL C C 13 176.063 0.0015 . 1 . . . . 5 VAL C . 17695 1 13 . 1 1 5 5 VAL CA C 13 61.717 0.0015 . 1 . . . . 5 VAL CA . 17695 1 14 . 1 1 5 5 VAL CB C 13 30.756 0.0015 . 1 . . . . 5 VAL CB . 17695 1 15 . 1 1 5 5 VAL N N 15 117.564 0.0015 . 1 . . . . 5 VAL N . 17695 1 16 . 1 1 6 6 SER H H 1 8.036 0.0015 . 1 . . . . 6 SER H . 17695 1 17 . 1 1 6 6 SER C C 13 170.789 0.0015 . 1 . . . . 6 SER C . 17695 1 18 . 1 1 6 6 SER CA C 13 56.114 0.0015 . 1 . . . . 6 SER CA . 17695 1 19 . 1 1 6 6 SER CB C 13 62.190 0.0015 . 1 . . . . 6 SER CB . 17695 1 20 . 1 1 6 6 SER N N 15 119.491 0.0015 . 1 . . . . 6 SER N . 17695 1 21 . 1 1 11 11 ILE H H 1 10.436 0.0015 . 1 . . . . 11 ILE H . 17695 1 22 . 1 1 11 11 ILE CA C 13 62.778 0.0015 . 1 . . . . 11 ILE CA . 17695 1 23 . 1 1 11 11 ILE N N 15 125.951 0.0015 . 1 . . . . 11 ILE N . 17695 1 24 . 1 1 12 12 ALA H H 1 9.680 0.0015 . 1 . . . . 12 ALA H . 17695 1 25 . 1 1 12 12 ALA C C 13 175.232 0.0015 . 1 . . . . 12 ALA C . 17695 1 26 . 1 1 12 12 ALA CA C 13 51.947 0.0015 . 1 . . . . 12 ALA CA . 17695 1 27 . 1 1 12 12 ALA CB C 13 17.225 0.0015 . 1 . . . . 12 ALA CB . 17695 1 28 . 1 1 12 12 ALA N N 15 128.022 0.0015 . 1 . . . . 12 ALA N . 17695 1 29 . 1 1 13 13 ASP H H 1 8.153 0.0015 . 1 . . . . 13 ASP H . 17695 1 30 . 1 1 13 13 ASP C C 13 175.308 0.0015 . 1 . . . . 13 ASP C . 17695 1 31 . 1 1 13 13 ASP CA C 13 52.805 0.0015 . 1 . . . . 13 ASP CA . 17695 1 32 . 1 1 13 13 ASP CB C 13 40.038 0.0015 . 1 . . . . 13 ASP CB . 17695 1 33 . 1 1 13 13 ASP N N 15 120.237 0.0015 . 1 . . . . 13 ASP N . 17695 1 34 . 1 1 14 14 GLU H H 1 9.654 0.0015 . 1 . . . . 14 GLU H . 17695 1 35 . 1 1 14 14 GLU CA C 13 54.490 0.0015 . 1 . . . . 14 GLU CA . 17695 1 36 . 1 1 14 14 GLU N N 15 125.746 0.0015 . 1 . . . . 14 GLU N . 17695 1 37 . 1 1 16 16 LEU H H 1 8.864 0.0015 . 1 . . . . 16 LEU H . 17695 1 38 . 1 1 16 16 LEU C C 13 175.107 0.0015 . 1 . . . . 16 LEU C . 17695 1 39 . 1 1 16 16 LEU CA C 13 53.982 0.0015 . 1 . . . . 16 LEU CA . 17695 1 40 . 1 1 16 16 LEU CB C 13 41.805 0.0015 . 1 . . . . 16 LEU CB . 17695 1 41 . 1 1 16 16 LEU N N 15 125.740 0.0015 . 1 . . . . 16 LEU N . 17695 1 42 . 1 1 17 17 THR H H 1 8.150 0.0015 . 1 . . . . 17 THR H . 17695 1 43 . 1 1 17 17 THR C C 13 174.302 0.0015 . 1 . . . . 17 THR C . 17695 1 44 . 1 1 17 17 THR CA C 13 62.633 0.0015 . 1 . . . . 17 THR CA . 17695 1 45 . 1 1 17 17 THR CB C 13 68.514 0.0015 . 1 . . . . 17 THR CB . 17695 1 46 . 1 1 17 17 THR N N 15 124.903 0.0015 . 1 . . . . 17 THR N . 17695 1 47 . 1 1 18 18 VAL H H 1 9.086 0.0015 . 1 . . . . 18 VAL H . 17695 1 48 . 1 1 18 18 VAL C C 13 174.943 0.0015 . 1 . . . . 18 VAL C . 17695 1 49 . 1 1 18 18 VAL CA C 13 60.327 0.0015 . 1 . . . . 18 VAL CA . 17695 1 50 . 1 1 18 18 VAL CB C 13 31.838 0.0015 . 1 . . . . 18 VAL CB . 17695 1 51 . 1 1 18 18 VAL N N 15 129.676 0.0015 . 1 . . . . 18 VAL N . 17695 1 52 . 1 1 19 19 ASN H H 1 9.494 0.0015 . 1 . . . . 19 ASN H . 17695 1 53 . 1 1 19 19 ASN C C 13 176.625 0.0015 . 1 . . . . 19 ASN C . 17695 1 54 . 1 1 19 19 ASN CA C 13 52.778 0.0015 . 1 . . . . 19 ASN CA . 17695 1 55 . 1 1 19 19 ASN CB C 13 39.431 0.0015 . 1 . . . . 19 ASN CB . 17695 1 56 . 1 1 19 19 ASN N N 15 127.765 0.0015 . 1 . . . . 19 ASN N . 17695 1 57 . 1 1 20 20 THR H H 1 8.734 0.0015 . 1 . . . . 20 THR H . 17695 1 58 . 1 1 20 20 THR CA C 13 60.618 0.0015 . 1 . . . . 20 THR CA . 17695 1 59 . 1 1 20 20 THR N N 15 117.474 0.0015 . 1 . . . . 20 THR N . 17695 1 60 . 1 1 21 21 GLY H H 1 8.613 0.0015 . 1 . . . . 21 GLY H . 17695 1 61 . 1 1 21 21 GLY CA C 13 45.624 0.0015 . 1 . . . . 21 GLY CA . 17695 1 62 . 1 1 21 21 GLY N N 15 108.502 0.0015 . 1 . . . . 21 GLY N . 17695 1 63 . 1 1 22 22 ILE H H 1 6.248 0.0015 . 1 . . . . 22 ILE H . 17695 1 64 . 1 1 22 22 ILE CA C 13 59.938 0.0015 . 1 . . . . 22 ILE CA . 17695 1 65 . 1 1 22 22 ILE N N 15 120.702 0.0015 . 1 . . . . 22 ILE N . 17695 1 66 . 1 1 23 23 TYR H H 1 8.918 0.0015 . 1 . . . . 23 TYR H . 17695 1 67 . 1 1 23 23 TYR CA C 13 55.019 0.0015 . 1 . . . . 23 TYR CA . 17695 1 68 . 1 1 23 23 TYR CB C 13 40.177 0.0015 . 1 . . . . 23 TYR CB . 17695 1 69 . 1 1 23 23 TYR N N 15 129.211 0.0015 . 1 . . . . 23 TYR N . 17695 1 70 . 1 1 24 24 LEU H H 1 8.521 0.0015 . 1 . . . . 24 LEU H . 17695 1 71 . 1 1 24 24 LEU CA C 13 55.334 0.0015 . 1 . . . . 24 LEU CA . 17695 1 72 . 1 1 24 24 LEU CB C 13 41.163 0.0015 . 1 . . . . 24 LEU CB . 17695 1 73 . 1 1 24 24 LEU N N 15 127.820 0.0015 . 1 . . . . 24 LEU N . 17695 1 74 . 1 1 25 25 ILE H H 1 8.404 0.0015 . 1 . . . . 25 ILE H . 17695 1 75 . 1 1 25 25 ILE CA C 13 61.877 0.0015 . 1 . . . . 25 ILE CA . 17695 1 76 . 1 1 25 25 ILE N N 15 123.789 0.0015 . 1 . . . . 25 ILE N . 17695 1 77 . 1 1 26 26 GLU H H 1 8.011 0.0015 . 1 . . . . 26 GLU H . 17695 1 78 . 1 1 26 26 GLU CA C 13 55.503 0.0015 . 1 . . . . 26 GLU CA . 17695 1 79 . 1 1 26 26 GLU CB C 13 33.601 0.0015 . 1 . . . . 26 GLU CB . 17695 1 80 . 1 1 26 26 GLU N N 15 116.287 0.0015 . 1 . . . . 26 GLU N . 17695 1 81 . 1 1 27 27 CYS H H 1 8.772 0.0015 . 1 . . . . 27 CYS H . 17695 1 82 . 1 1 27 27 CYS CA C 13 57.062 0.0015 . 1 . . . . 27 CYS CA . 17695 1 83 . 1 1 27 27 CYS CB C 13 30.714 0.0015 . 1 . . . . 27 CYS CB . 17695 1 84 . 1 1 27 27 CYS N N 15 122.590 0.0015 . 1 . . . . 27 CYS N . 17695 1 85 . 1 1 33 33 LYS H H 1 8.075 0.0015 . 1 . . . . 33 LYS H . 17695 1 86 . 1 1 33 33 LYS C C 13 175.655 0.0015 . 1 . . . . 33 LYS C . 17695 1 87 . 1 1 33 33 LYS CA C 13 55.905 0.0015 . 1 . . . . 33 LYS CA . 17695 1 88 . 1 1 33 33 LYS CB C 13 31.642 0.0015 . 1 . . . . 33 LYS CB . 17695 1 89 . 1 1 33 33 LYS N N 15 118.966 0.0015 . 1 . . . . 33 LYS N . 17695 1 90 . 1 1 34 34 ALA H H 1 7.917 0.0015 . 1 . . . . 34 ALA H . 17695 1 91 . 1 1 34 34 ALA CA C 13 52.263 0.0015 . 1 . . . . 34 ALA CA . 17695 1 92 . 1 1 34 34 ALA CB C 13 16.390 0.0015 . 1 . . . . 34 ALA CB . 17695 1 93 . 1 1 34 34 ALA N N 15 121.962 0.0015 . 1 . . . . 34 ALA N . 17695 1 94 . 1 1 42 42 PHE H H 1 8.959 0.0015 . 1 . . . . 42 PHE H . 17695 1 95 . 1 1 42 42 PHE CA C 13 56.432 0.0015 . 1 . . . . 42 PHE CA . 17695 1 96 . 1 1 42 42 PHE CB C 13 40.670 0.0015 . 1 . . . . 42 PHE CB . 17695 1 97 . 1 1 42 42 PHE N N 15 115.767 0.0015 . 1 . . . . 42 PHE N . 17695 1 98 . 1 1 44 44 SER H H 1 9.241 0.0015 . 1 . . . . 44 SER H . 17695 1 99 . 1 1 44 44 SER C C 13 174.195 0.0015 . 1 . . . . 44 SER C . 17695 1 100 . 1 1 44 44 SER CA C 13 55.731 0.0015 . 1 . . . . 44 SER CA . 17695 1 101 . 1 1 44 44 SER CB C 13 64.515 0.0015 . 1 . . . . 44 SER CB . 17695 1 102 . 1 1 44 44 SER N N 15 122.966 0.0015 . 1 . . . . 44 SER N . 17695 1 103 . 1 1 45 45 LEU H H 1 9.131 0.0015 . 1 . . . . 45 LEU H . 17695 1 104 . 1 1 45 45 LEU CA C 13 52.786 0.0015 . 1 . . . . 45 LEU CA . 17695 1 105 . 1 1 45 45 LEU CB C 13 46.479 0.0015 . 1 . . . . 45 LEU CB . 17695 1 106 . 1 1 45 45 LEU N N 15 123.059 0.0015 . 1 . . . . 45 LEU N . 17695 1 107 . 1 1 46 46 SER H H 1 8.781 0.0015 . 1 . . . . 46 SER H . 17695 1 108 . 1 1 46 46 SER C C 13 173.263 0.0015 . 1 . . . . 46 SER C . 17695 1 109 . 1 1 46 46 SER CA C 13 56.373 0.0015 . 1 . . . . 46 SER CA . 17695 1 110 . 1 1 46 46 SER CB C 13 64.784 0.0015 . 1 . . . . 46 SER CB . 17695 1 111 . 1 1 46 46 SER N N 15 114.281 0.0015 . 1 . . . . 46 SER N . 17695 1 112 . 1 1 47 47 TRP H H 1 7.939 0.0015 . 1 . . . . 47 TRP H . 17695 1 113 . 1 1 47 47 TRP C C 13 171.801 0.0015 . 1 . . . . 47 TRP C . 17695 1 114 . 1 1 47 47 TRP CA C 13 56.979 0.0015 . 1 . . . . 47 TRP CA . 17695 1 115 . 1 1 47 47 TRP CB C 13 31.043 0.0015 . 1 . . . . 47 TRP CB . 17695 1 116 . 1 1 47 47 TRP N N 15 125.631 0.0015 . 1 . . . . 47 TRP N . 17695 1 117 . 1 1 48 48 LYS H H 1 8.494 0.0015 . 1 . . . . 48 LYS H . 17695 1 118 . 1 1 48 48 LYS C C 13 175.677 0.0015 . 1 . . . . 48 LYS C . 17695 1 119 . 1 1 48 48 LYS CA C 13 54.760 0.0015 . 1 . . . . 48 LYS CA . 17695 1 120 . 1 1 48 48 LYS CB C 13 32.930 0.0015 . 1 . . . . 48 LYS CB . 17695 1 121 . 1 1 48 48 LYS N N 15 120.779 0.0015 . 1 . . . . 48 LYS N . 17695 1 122 . 1 1 49 49 ASP H H 1 8.833 0.0015 . 1 . . . . 49 ASP H . 17695 1 123 . 1 1 49 49 ASP C C 13 176.648 0.0015 . 1 . . . . 49 ASP C . 17695 1 124 . 1 1 49 49 ASP CA C 13 52.196 0.0015 . 1 . . . . 49 ASP CA . 17695 1 125 . 1 1 49 49 ASP CB C 13 40.868 0.0015 . 1 . . . . 49 ASP CB . 17695 1 126 . 1 1 49 49 ASP N N 15 125.901 0.0015 . 1 . . . . 49 ASP N . 17695 1 127 . 1 1 50 50 ARG H H 1 9.199 0.0015 . 1 . . . . 50 ARG H . 17695 1 128 . 1 1 50 50 ARG C C 13 178.385 0.0015 . 1 . . . . 50 ARG C . 17695 1 129 . 1 1 50 50 ARG CA C 13 58.485 0.0015 . 1 . . . . 50 ARG CA . 17695 1 130 . 1 1 50 50 ARG CB C 13 28.390 0.0015 . 1 . . . . 50 ARG CB . 17695 1 131 . 1 1 50 50 ARG N N 15 123.143 0.0015 . 1 . . . . 50 ARG N . 17695 1 132 . 1 1 51 51 ARG H H 1 8.271 0.0015 . 1 . . . . 51 ARG H . 17695 1 133 . 1 1 51 51 ARG C C 13 177.905 0.0015 . 1 . . . . 51 ARG C . 17695 1 134 . 1 1 51 51 ARG CA C 13 57.399 0.0015 . 1 . . . . 51 ARG CA . 17695 1 135 . 1 1 51 51 ARG CB C 13 28.880 0.0015 . 1 . . . . 51 ARG CB . 17695 1 136 . 1 1 51 51 ARG N N 15 118.554 0.0015 . 1 . . . . 51 ARG N . 17695 1 137 . 1 1 52 52 LEU H H 1 7.902 0.0015 . 1 . . . . 52 LEU H . 17695 1 138 . 1 1 52 52 LEU C C 13 176.321 0.0015 . 1 . . . . 52 LEU C . 17695 1 139 . 1 1 52 52 LEU CA C 13 52.809 0.0015 . 1 . . . . 52 LEU CA . 17695 1 140 . 1 1 52 52 LEU CB C 13 41.329 0.0015 . 1 . . . . 52 LEU CB . 17695 1 141 . 1 1 52 52 LEU N N 15 116.097 0.0015 . 1 . . . . 52 LEU N . 17695 1 142 . 1 1 53 53 ALA H H 1 6.765 0.0015 . 1 . . . . 53 ALA H . 17695 1 143 . 1 1 53 53 ALA C C 13 176.842 0.0015 . 1 . . . . 53 ALA C . 17695 1 144 . 1 1 53 53 ALA CA C 13 52.770 0.0015 . 1 . . . . 53 ALA CA . 17695 1 145 . 1 1 53 53 ALA CB C 13 18.330 0.0015 . 1 . . . . 53 ALA CB . 17695 1 146 . 1 1 53 53 ALA N N 15 121.328 0.0015 . 1 . . . . 53 ALA N . 17695 1 147 . 1 1 54 54 PHE H H 1 8.938 0.0015 . 1 . . . . 54 PHE H . 17695 1 148 . 1 1 54 54 PHE C C 13 172.004 0.0015 . 1 . . . . 54 PHE C . 17695 1 149 . 1 1 54 54 PHE CA C 13 55.572 0.0015 . 1 . . . . 54 PHE CA . 17695 1 150 . 1 1 54 54 PHE CB C 13 39.890 0.0015 . 1 . . . . 54 PHE CB . 17695 1 151 . 1 1 54 54 PHE N N 15 118.053 0.0015 . 1 . . . . 54 PHE N . 17695 1 152 . 1 1 55 55 ASP H H 1 8.597 0.0015 . 1 . . . . 55 ASP H . 17695 1 153 . 1 1 55 55 ASP C C 13 176.600 0.0015 . 1 . . . . 55 ASP C . 17695 1 154 . 1 1 55 55 ASP CA C 13 49.846 0.0015 . 1 . . . . 55 ASP CA . 17695 1 155 . 1 1 55 55 ASP CB C 13 41.686 0.0015 . 1 . . . . 55 ASP CB . 17695 1 156 . 1 1 55 55 ASP N N 15 119.688 0.0015 . 1 . . . . 55 ASP N . 17695 1 157 . 1 1 57 57 VAL H H 1 7.984 0.0015 . 1 . . . . 57 VAL H . 17695 1 158 . 1 1 57 57 VAL C C 13 178.855 0.0015 . 1 . . . . 57 VAL C . 17695 1 159 . 1 1 57 57 VAL CA C 13 65.139 0.0015 . 1 . . . . 57 VAL CA . 17695 1 160 . 1 1 57 57 VAL CB C 13 30.285 0.0015 . 1 . . . . 57 VAL CB . 17695 1 161 . 1 1 57 57 VAL N N 15 121.330 0.0015 . 1 . . . . 57 VAL N . 17695 1 162 . 1 1 58 58 ARG H H 1 7.600 0.0015 . 1 . . . . 58 ARG H . 17695 1 163 . 1 1 58 58 ARG C C 13 178.679 0.0015 . 1 . . . . 58 ARG C . 17695 1 164 . 1 1 58 58 ARG CA C 13 57.687 0.0015 . 1 . . . . 58 ARG CA . 17695 1 165 . 1 1 58 58 ARG CB C 13 29.367 0.0015 . 1 . . . . 58 ARG CB . 17695 1 166 . 1 1 58 58 ARG N N 15 119.831 0.0015 . 1 . . . . 58 ARG N . 17695 1 167 . 1 1 59 59 SER H H 1 8.154 0.0015 . 1 . . . . 59 SER H . 17695 1 168 . 1 1 59 59 SER C C 13 175.185 0.0015 . 1 . . . . 59 SER C . 17695 1 169 . 1 1 59 59 SER CA C 13 60.058 0.0015 . 1 . . . . 59 SER CA . 17695 1 170 . 1 1 59 59 SER CB C 13 63.172 0.0015 . 1 . . . . 59 SER CB . 17695 1 171 . 1 1 59 59 SER N N 15 111.693 0.0015 . 1 . . . . 59 SER N . 17695 1 172 . 1 1 60 60 GLY H H 1 7.659 0.0015 . 1 . . . . 60 GLY H . 17695 1 173 . 1 1 60 60 GLY C C 13 173.155 0.0015 . 1 . . . . 60 GLY C . 17695 1 174 . 1 1 60 60 GLY CA C 13 45.499 0.0015 . 1 . . . . 60 GLY CA . 17695 1 175 . 1 1 60 60 GLY N N 15 110.549 0.0015 . 1 . . . . 60 GLY N . 17695 1 176 . 1 1 61 61 VAL H H 1 7.442 0.0015 . 1 . . . . 61 VAL H . 17695 1 177 . 1 1 61 61 VAL C C 13 173.860 0.0015 . 1 . . . . 61 VAL C . 17695 1 178 . 1 1 61 61 VAL CA C 13 59.158 0.0015 . 1 . . . . 61 VAL CA . 17695 1 179 . 1 1 61 61 VAL CB C 13 34.674 0.0015 . 1 . . . . 61 VAL CB . 17695 1 180 . 1 1 61 61 VAL N N 15 113.603 0.0015 . 1 . . . . 61 VAL N . 17695 1 181 . 1 1 62 62 ARG H H 1 8.519 0.0015 . 1 . . . . 62 ARG H . 17695 1 182 . 1 1 62 62 ARG C C 13 175.531 0.0015 . 1 . . . . 62 ARG C . 17695 1 183 . 1 1 62 62 ARG CA C 13 55.784 0.0015 . 1 . . . . 62 ARG CA . 17695 1 184 . 1 1 62 62 ARG CB C 13 30.058 0.0015 . 1 . . . . 62 ARG CB . 17695 1 185 . 1 1 62 62 ARG N N 15 118.101 0.0015 . 1 . . . . 62 ARG N . 17695 1 186 . 1 1 63 63 VAL H H 1 7.361 0.0015 . 1 . . . . 63 VAL H . 17695 1 187 . 1 1 63 63 VAL C C 13 173.974 0.0015 . 1 . . . . 63 VAL C . 17695 1 188 . 1 1 63 63 VAL CA C 13 60.131 0.0015 . 1 . . . . 63 VAL CA . 17695 1 189 . 1 1 63 63 VAL CB C 13 34.751 0.0015 . 1 . . . . 63 VAL CB . 17695 1 190 . 1 1 63 63 VAL N N 15 116.085 0.0015 . 1 . . . . 63 VAL N . 17695 1 191 . 1 1 64 64 LYS H H 1 8.696 0.0015 . 1 . . . . 64 LYS H . 17695 1 192 . 1 1 64 64 LYS C C 13 175.293 0.0015 . 1 . . . . 64 LYS C . 17695 1 193 . 1 1 64 64 LYS CA C 13 54.725 0.0015 . 1 . . . . 64 LYS CA . 17695 1 194 . 1 1 64 64 LYS CB C 13 35.326 0.0015 . 1 . . . . 64 LYS CB . 17695 1 195 . 1 1 64 64 LYS N N 15 125.052 0.0015 . 1 . . . . 64 LYS N . 17695 1 196 . 1 1 65 65 THR H H 1 8.045 0.0015 . 1 . . . . 65 THR H . 17695 1 197 . 1 1 65 65 THR C C 13 173.640 0.0015 . 1 . . . . 65 THR C . 17695 1 198 . 1 1 65 65 THR CA C 13 60.111 0.0015 . 1 . . . . 65 THR CA . 17695 1 199 . 1 1 65 65 THR CB C 13 70.007 0.0015 . 1 . . . . 65 THR CB . 17695 1 200 . 1 1 65 65 THR N N 15 116.033 0.0015 . 1 . . . . 65 THR N . 17695 1 201 . 1 1 66 66 TYR H H 1 7.464 0.0015 . 1 . . . . 66 TYR H . 17695 1 202 . 1 1 66 66 TYR CA C 13 56.866 0.0015 . 1 . . . . 66 TYR CA . 17695 1 203 . 1 1 66 66 TYR CB C 13 42.814 0.0015 . 1 . . . . 66 TYR CB . 17695 1 204 . 1 1 66 66 TYR N N 15 121.066 0.0015 . 1 . . . . 66 TYR N . 17695 1 205 . 1 1 67 67 GLU H H 1 8.334 0.0015 . 1 . . . . 67 GLU H . 17695 1 206 . 1 1 67 67 GLU C C 13 176.063 0.0015 . 1 . . . . 67 GLU C . 17695 1 207 . 1 1 67 67 GLU CA C 13 53.620 0.0015 . 1 . . . . 67 GLU CA . 17695 1 208 . 1 1 67 67 GLU CB C 13 27.892 0.0015 . 1 . . . . 67 GLU CB . 17695 1 209 . 1 1 67 67 GLU N N 15 120.332 0.0015 . 1 . . . . 67 GLU N . 17695 1 210 . 1 1 69 69 GLU H H 1 8.304 0.0015 . 1 . . . . 69 GLU H . 17695 1 211 . 1 1 69 69 GLU C C 13 176.982 0.0015 . 1 . . . . 69 GLU C . 17695 1 212 . 1 1 69 69 GLU CA C 13 57.363 0.0015 . 1 . . . . 69 GLU CA . 17695 1 213 . 1 1 69 69 GLU CB C 13 27.739 0.0015 . 1 . . . . 69 GLU CB . 17695 1 214 . 1 1 69 69 GLU N N 15 112.063 0.0015 . 1 . . . . 69 GLU N . 17695 1 215 . 1 1 70 70 ALA H H 1 7.826 0.0015 . 1 . . . . 70 ALA H . 17695 1 216 . 1 1 70 70 ALA C C 13 176.807 0.0015 . 1 . . . . 70 ALA C . 17695 1 217 . 1 1 70 70 ALA CA C 13 52.422 0.0015 . 1 . . . . 70 ALA CA . 17695 1 218 . 1 1 70 70 ALA CB C 13 20.657 0.0015 . 1 . . . . 70 ALA CB . 17695 1 219 . 1 1 70 70 ALA N N 15 120.541 0.0015 . 1 . . . . 70 ALA N . 17695 1 220 . 1 1 71 71 ILE H H 1 7.082 0.0015 . 1 . . . . 71 ILE H . 17695 1 221 . 1 1 71 71 ILE CA C 13 58.219 0.0015 . 1 . . . . 71 ILE CA . 17695 1 222 . 1 1 71 71 ILE CB C 13 41.983 0.0015 . 1 . . . . 71 ILE CB . 17695 1 223 . 1 1 71 71 ILE N N 15 110.442 0.0015 . 1 . . . . 71 ILE N . 17695 1 224 . 1 1 72 72 TRP H H 1 8.482 0.0015 . 1 . . . . 72 TRP H . 17695 1 225 . 1 1 72 72 TRP C C 13 174.846 0.0015 . 1 . . . . 72 TRP C . 17695 1 226 . 1 1 72 72 TRP CA C 13 59.380 0.0015 . 1 . . . . 72 TRP CA . 17695 1 227 . 1 1 72 72 TRP CB C 13 27.718 0.0015 . 1 . . . . 72 TRP CB . 17695 1 228 . 1 1 72 72 TRP N N 15 123.013 0.0015 . 1 . . . . 72 TRP N . 17695 1 229 . 1 1 73 73 ILE H H 1 6.397 0.0015 . 1 . . . . 73 ILE H . 17695 1 230 . 1 1 73 73 ILE CA C 13 56.123 0.0015 . 1 . . . . 73 ILE CA . 17695 1 231 . 1 1 73 73 ILE CB C 13 40.613 0.0015 . 1 . . . . 73 ILE CB . 17695 1 232 . 1 1 73 73 ILE N N 15 124.915 0.0015 . 1 . . . . 73 ILE N . 17695 1 233 . 1 1 75 75 GLU H H 1 8.656 0.0015 . 1 . . . . 75 GLU H . 17695 1 234 . 1 1 75 75 GLU C C 13 174.486 0.0015 . 1 . . . . 75 GLU C . 17695 1 235 . 1 1 75 75 GLU CA C 13 54.560 0.0015 . 1 . . . . 75 GLU CA . 17695 1 236 . 1 1 75 75 GLU CB C 13 28.112 0.0015 . 1 . . . . 75 GLU CB . 17695 1 237 . 1 1 75 75 GLU N N 15 124.033 0.0015 . 1 . . . . 75 GLU N . 17695 1 238 . 1 1 76 76 ILE H H 1 8.016 0.0015 . 1 . . . . 76 ILE H . 17695 1 239 . 1 1 76 76 ILE C C 13 176.052 0.0015 . 1 . . . . 76 ILE C . 17695 1 240 . 1 1 76 76 ILE CA C 13 57.853 0.0015 . 1 . . . . 76 ILE CA . 17695 1 241 . 1 1 76 76 ILE CB C 13 35.935 0.0015 . 1 . . . . 76 ILE CB . 17695 1 242 . 1 1 76 76 ILE N N 15 126.937 0.0015 . 1 . . . . 76 ILE N . 17695 1 243 . 1 1 77 77 ARG H H 1 8.995 0.0015 . 1 . . . . 77 ARG H . 17695 1 244 . 1 1 77 77 ARG CA C 13 54.091 0.0015 . 1 . . . . 77 ARG CA . 17695 1 245 . 1 1 77 77 ARG N N 15 127.909 0.0015 . 1 . . . . 77 ARG N . 17695 1 246 . 1 1 78 78 PHE H H 1 8.586 0.0015 . 1 . . . . 78 PHE H . 17695 1 247 . 1 1 78 78 PHE N N 15 126.370 0.0015 . 1 . . . . 78 PHE N . 17695 1 248 . 1 1 80 80 ASN H H 1 8.983 0.0015 . 1 . . . . 80 ASN H . 17695 1 249 . 1 1 80 80 ASN CA C 13 52.442 0.0015 . 1 . . . . 80 ASN CA . 17695 1 250 . 1 1 80 80 ASN N N 15 117.111 0.0015 . 1 . . . . 80 ASN N . 17695 1 251 . 1 1 81 81 VAL H H 1 6.984 0.0015 . 1 . . . . 81 VAL H . 17695 1 252 . 1 1 81 81 VAL CA C 13 59.152 0.0015 . 1 . . . . 81 VAL CA . 17695 1 253 . 1 1 81 81 VAL N N 15 113.258 0.0015 . 1 . . . . 81 VAL N . 17695 1 254 . 1 1 82 82 GLU H H 1 8.597 0.0015 . 1 . . . . 82 GLU H . 17695 1 255 . 1 1 82 82 GLU C C 13 175.968 0.0015 . 1 . . . . 82 GLU C . 17695 1 256 . 1 1 82 82 GLU CA C 13 56.972 0.0015 . 1 . . . . 82 GLU CA . 17695 1 257 . 1 1 82 82 GLU CB C 13 29.984 0.0015 . 1 . . . . 82 GLU CB . 17695 1 258 . 1 1 82 82 GLU N N 15 125.297 0.0015 . 1 . . . . 82 GLU N . 17695 1 259 . 1 1 84 84 ALA H H 1 8.129 0.0015 . 1 . . . . 84 ALA H . 17695 1 260 . 1 1 84 84 ALA C C 13 177.273 0.0015 . 1 . . . . 84 ALA C . 17695 1 261 . 1 1 84 84 ALA CA C 13 51.681 0.0015 . 1 . . . . 84 ALA CA . 17695 1 262 . 1 1 84 84 ALA CB C 13 18.805 0.0015 . 1 . . . . 84 ALA CB . 17695 1 263 . 1 1 84 84 ALA N N 15 123.794 0.0015 . 1 . . . . 84 ALA N . 17695 1 264 . 1 1 85 85 ARG H H 1 8.353 0.0015 . 1 . . . . 85 ARG H . 17695 1 265 . 1 1 85 85 ARG C C 13 174.153 0.0015 . 1 . . . . 85 ARG C . 17695 1 266 . 1 1 85 85 ARG CA C 13 54.494 0.0015 . 1 . . . . 85 ARG CA . 17695 1 267 . 1 1 85 85 ARG CB C 13 28.881 0.0015 . 1 . . . . 85 ARG CB . 17695 1 268 . 1 1 85 85 ARG N N 15 121.269 0.0015 . 1 . . . . 85 ARG N . 17695 1 269 . 1 1 86 86 ASP H H 1 8.531 0.0015 . 1 . . . . 86 ASP H . 17695 1 270 . 1 1 86 86 ASP CA C 13 53.360 0.0015 . 1 . . . . 86 ASP CA . 17695 1 271 . 1 1 86 86 ASP CB C 13 40.805 0.0015 . 1 . . . . 86 ASP CB . 17695 1 272 . 1 1 86 86 ASP N N 15 123.484 0.0015 . 1 . . . . 86 ASP N . 17695 1 273 . 1 1 87 87 ALA H H 1 8.493 0.0015 . 1 . . . . 87 ALA H . 17695 1 274 . 1 1 87 87 ALA C C 13 176.346 0.0015 . 1 . . . . 87 ALA C . 17695 1 275 . 1 1 87 87 ALA CA C 13 51.188 0.0015 . 1 . . . . 87 ALA CA . 17695 1 276 . 1 1 87 87 ALA CB C 13 21.983 0.0015 . 1 . . . . 87 ALA CB . 17695 1 277 . 1 1 87 87 ALA N N 15 127.867 0.0015 . 1 . . . . 87 ALA N . 17695 1 278 . 1 1 88 88 ASP H H 1 8.781 0.0015 . 1 . . . . 88 ASP H . 17695 1 279 . 1 1 88 88 ASP CA C 13 52.672 0.0015 . 1 . . . . 88 ASP CA . 17695 1 280 . 1 1 88 88 ASP N N 15 122.028 0.0015 . 1 . . . . 88 ASP N . 17695 1 281 . 1 1 93 93 SER H H 1 8.646 0.0015 . 1 . . . . 93 SER H . 17695 1 282 . 1 1 93 93 SER C C 13 173.185 0.0015 . 1 . . . . 93 SER C . 17695 1 283 . 1 1 93 93 SER CA C 13 57.177 0.0015 . 1 . . . . 93 SER CA . 17695 1 284 . 1 1 93 93 SER CB C 13 65.711 0.0015 . 1 . . . . 93 SER CB . 17695 1 285 . 1 1 93 93 SER N N 15 122.638 0.0015 . 1 . . . . 93 SER N . 17695 1 286 . 1 1 94 94 VAL H H 1 9.420 0.0015 . 1 . . . . 94 VAL H . 17695 1 287 . 1 1 94 94 VAL C C 13 175.606 0.0015 . 1 . . . . 94 VAL C . 17695 1 288 . 1 1 94 94 VAL CA C 13 60.659 0.0015 . 1 . . . . 94 VAL CA . 17695 1 289 . 1 1 94 94 VAL CB C 13 33.943 0.0015 . 1 . . . . 94 VAL CB . 17695 1 290 . 1 1 94 94 VAL N N 15 125.877 0.0015 . 1 . . . . 94 VAL N . 17695 1 291 . 1 1 95 95 SER H H 1 8.565 0.0015 . 1 . . . . 95 SER H . 17695 1 292 . 1 1 95 95 SER C C 13 173.119 0.0015 . 1 . . . . 95 SER C . 17695 1 293 . 1 1 95 95 SER CA C 13 57.406 0.0015 . 1 . . . . 95 SER CA . 17695 1 294 . 1 1 95 95 SER CB C 13 62.184 0.0015 . 1 . . . . 95 SER CB . 17695 1 295 . 1 1 95 95 SER N N 15 123.771 0.0015 . 1 . . . . 95 SER N . 17695 1 296 . 1 1 97 97 ASP H H 1 7.537 0.0015 . 1 . . . . 97 ASP H . 17695 1 297 . 1 1 97 97 ASP C C 13 177.148 0.0015 . 1 . . . . 97 ASP C . 17695 1 298 . 1 1 97 97 ASP CA C 13 52.919 0.0015 . 1 . . . . 97 ASP CA . 17695 1 299 . 1 1 97 97 ASP CB C 13 39.189 0.0015 . 1 . . . . 97 ASP CB . 17695 1 300 . 1 1 97 97 ASP N N 15 111.265 0.0015 . 1 . . . . 97 ASP N . 17695 1 301 . 1 1 98 98 GLY H H 1 8.679 0.0015 . 1 . . . . 98 GLY H . 17695 1 302 . 1 1 98 98 GLY C C 13 173.663 0.0015 . 1 . . . . 98 GLY C . 17695 1 303 . 1 1 98 98 GLY CA C 13 44.009 0.0015 . 1 . . . . 98 GLY CA . 17695 1 304 . 1 1 98 98 GLY N N 15 109.104 0.0015 . 1 . . . . 98 GLY N . 17695 1 305 . 1 1 99 99 THR H H 1 7.553 0.0015 . 1 . . . . 99 THR H . 17695 1 306 . 1 1 99 99 THR CA C 13 64.877 0.0015 . 1 . . . . 99 THR CA . 17695 1 307 . 1 1 99 99 THR CB C 13 67.016 0.0015 . 1 . . . . 99 THR CB . 17695 1 308 . 1 1 99 99 THR N N 15 118.530 0.0015 . 1 . . . . 99 THR N . 17695 1 309 . 1 1 100 100 VAL H H 1 9.163 0.0015 . 1 . . . . 100 VAL H . 17695 1 310 . 1 1 100 100 VAL C C 13 175.321 0.0015 . 1 . . . . 100 VAL C . 17695 1 311 . 1 1 100 100 VAL CA C 13 61.290 0.0015 . 1 . . . . 100 VAL CA . 17695 1 312 . 1 1 100 100 VAL CB C 13 31.390 0.0015 . 1 . . . . 100 VAL CB . 17695 1 313 . 1 1 100 100 VAL N N 15 133.099 0.0015 . 1 . . . . 100 VAL N . 17695 1 314 . 1 1 101 101 GLN H H 1 9.017 0.0015 . 1 . . . . 101 GLN H . 17695 1 315 . 1 1 101 101 GLN C C 13 173.420 0.0015 . 1 . . . . 101 GLN C . 17695 1 316 . 1 1 101 101 GLN CA C 13 54.720 0.0015 . 1 . . . . 101 GLN CA . 17695 1 317 . 1 1 101 101 GLN CB C 13 29.294 0.0015 . 1 . . . . 101 GLN CB . 17695 1 318 . 1 1 101 101 GLN N N 15 125.794 0.0015 . 1 . . . . 101 GLN N . 17695 1 319 . 1 1 102 102 TYR H H 1 9.313 0.0015 . 1 . . . . 102 TYR H . 17695 1 320 . 1 1 102 102 TYR CA C 13 56.176 0.0015 . 1 . . . . 102 TYR CA . 17695 1 321 . 1 1 102 102 TYR CB C 13 40.959 0.0015 . 1 . . . . 102 TYR CB . 17695 1 322 . 1 1 102 102 TYR N N 15 129.862 0.0015 . 1 . . . . 102 TYR N . 17695 1 323 . 1 1 103 103 LEU H H 1 8.675 0.0015 . 1 . . . . 103 LEU H . 17695 1 324 . 1 1 103 103 LEU CA C 13 53.487 0.0015 . 1 . . . . 103 LEU CA . 17695 1 325 . 1 1 103 103 LEU N N 15 133.189 0.0015 . 1 . . . . 103 LEU N . 17695 1 326 . 1 1 105 105 ARG H H 1 9.111 0.0015 . 1 . . . . 105 ARG H . 17695 1 327 . 1 1 105 105 ARG N N 15 126.966 0.0015 . 1 . . . . 105 ARG N . 17695 1 328 . 1 1 106 106 PHE H H 1 9.488 0.0015 . 1 . . . . 106 PHE H . 17695 1 329 . 1 1 106 106 PHE CA C 13 55.005 0.0015 . 1 . . . . 106 PHE CA . 17695 1 330 . 1 1 106 106 PHE CB C 13 42.252 0.0015 . 1 . . . . 106 PHE CB . 17695 1 331 . 1 1 106 106 PHE N N 15 124.494 0.0015 . 1 . . . . 106 PHE N . 17695 1 332 . 1 1 107 107 SER H H 1 8.487 0.0015 . 1 . . . . 107 SER H . 17695 1 333 . 1 1 107 107 SER C C 13 174.332 0.0015 . 1 . . . . 107 SER C . 17695 1 334 . 1 1 107 107 SER CA C 13 55.772 0.0015 . 1 . . . . 107 SER CA . 17695 1 335 . 1 1 107 107 SER CB C 13 65.314 0.0015 . 1 . . . . 107 SER CB . 17695 1 336 . 1 1 107 107 SER N N 15 114.568 0.0015 . 1 . . . . 107 SER N . 17695 1 337 . 1 1 108 108 ALA H H 1 8.566 0.0015 . 1 . . . . 108 ALA H . 17695 1 338 . 1 1 108 108 ALA N N 15 127.483 0.0015 . 1 . . . . 108 ALA N . 17695 1 339 . 1 1 109 109 ARG H H 1 8.771 0.0015 . 1 . . . . 109 ARG H . 17695 1 340 . 1 1 109 109 ARG C C 13 174.447 0.0015 . 1 . . . . 109 ARG C . 17695 1 341 . 1 1 109 109 ARG CA C 13 54.778 0.0015 . 1 . . . . 109 ARG CA . 17695 1 342 . 1 1 109 109 ARG CB C 13 29.677 0.0015 . 1 . . . . 109 ARG CB . 17695 1 343 . 1 1 109 109 ARG N N 15 122.727 0.0015 . 1 . . . . 109 ARG N . 17695 1 344 . 1 1 111 111 LEU H H 1 8.391 0.0015 . 1 . . . . 111 LEU H . 17695 1 345 . 1 1 111 111 LEU CA C 13 53.516 0.0015 . 1 . . . . 111 LEU CA . 17695 1 346 . 1 1 111 111 LEU CB C 13 40.835 0.0015 . 1 . . . . 111 LEU CB . 17695 1 347 . 1 1 111 111 LEU N N 15 127.098 0.0015 . 1 . . . . 111 LEU N . 17695 1 348 . 1 1 114 114 LEU H H 1 8.809 0.0015 . 1 . . . . 114 LEU H . 17695 1 349 . 1 1 114 114 LEU CA C 13 54.885 0.0015 . 1 . . . . 114 LEU CA . 17695 1 350 . 1 1 114 114 LEU CB C 13 41.014 0.0015 . 1 . . . . 114 LEU CB . 17695 1 351 . 1 1 114 114 LEU N N 15 124.713 0.0015 . 1 . . . . 114 LEU N . 17695 1 352 . 1 1 115 115 ASP H H 1 8.522 0.0015 . 1 . . . . 115 ASP H . 17695 1 353 . 1 1 115 115 ASP C C 13 177.154 0.0015 . 1 . . . . 115 ASP C . 17695 1 354 . 1 1 115 115 ASP CA C 13 53.676 0.0015 . 1 . . . . 115 ASP CA . 17695 1 355 . 1 1 115 115 ASP CB C 13 40.374 0.0015 . 1 . . . . 115 ASP CB . 17695 1 356 . 1 1 115 115 ASP N N 15 121.485 0.0015 . 1 . . . . 115 ASP N . 17695 1 357 . 1 1 116 116 GLY H H 1 8.432 0.0015 . 1 . . . . 116 GLY H . 17695 1 358 . 1 1 116 116 GLY C C 13 174.564 0.0015 . 1 . . . . 116 GLY C . 17695 1 359 . 1 1 116 116 GLY CA C 13 45.248 0.0015 . 1 . . . . 116 GLY CA . 17695 1 360 . 1 1 116 116 GLY N N 15 111.246 0.0015 . 1 . . . . 116 GLY N . 17695 1 361 . 1 1 117 117 ARG H H 1 8.161 0.0015 . 1 . . . . 117 ARG H . 17695 1 362 . 1 1 117 117 ARG C C 13 176.806 0.0015 . 1 . . . . 117 ARG C . 17695 1 363 . 1 1 117 117 ARG CA C 13 55.856 0.0015 . 1 . . . . 117 ARG CA . 17695 1 364 . 1 1 117 117 ARG CB C 13 29.544 0.0015 . 1 . . . . 117 ARG CB . 17695 1 365 . 1 1 117 117 ARG N N 15 120.720 0.0015 . 1 . . . . 117 ARG N . 17695 1 366 . 1 1 118 118 ARG H H 1 8.236 0.0015 . 1 . . . . 118 ARG H . 17695 1 367 . 1 1 118 118 ARG C C 13 176.778 0.0015 . 1 . . . . 118 ARG C . 17695 1 368 . 1 1 118 118 ARG CA C 13 55.800 0.0015 . 1 . . . . 118 ARG CA . 17695 1 369 . 1 1 118 118 ARG CB C 13 29.353 0.0015 . 1 . . . . 118 ARG CB . 17695 1 370 . 1 1 118 118 ARG N N 15 122.052 0.0015 . 1 . . . . 118 ARG N . 17695 1 371 . 1 1 119 119 THR H H 1 8.236 0.0015 . 1 . . . . 119 THR H . 17695 1 372 . 1 1 119 119 THR C C 13 175.056 0.0015 . 1 . . . . 119 THR C . 17695 1 373 . 1 1 119 119 THR CA C 13 61.786 0.0015 . 1 . . . . 119 THR CA . 17695 1 374 . 1 1 119 119 THR CB C 13 69.091 0.0015 . 1 . . . . 119 THR CB . 17695 1 375 . 1 1 119 119 THR N N 15 115.157 0.0015 . 1 . . . . 119 THR N . 17695 1 376 . 1 1 120 120 GLU H H 1 8.494 0.0015 . 1 . . . . 120 GLU H . 17695 1 377 . 1 1 120 120 GLU C C 13 176.382 0.0015 . 1 . . . . 120 GLU C . 17695 1 378 . 1 1 120 120 GLU CA C 13 56.560 0.0015 . 1 . . . . 120 GLU CA . 17695 1 379 . 1 1 120 120 GLU CB C 13 28.642 0.0015 . 1 . . . . 120 GLU CB . 17695 1 380 . 1 1 120 120 GLU N N 15 121.920 0.0015 . 1 . . . . 120 GLU N . 17695 1 381 . 1 1 121 121 SER H H 1 8.025 0.0015 . 1 . . . . 121 SER H . 17695 1 382 . 1 1 121 121 SER C C 13 174.536 0.0015 . 1 . . . . 121 SER C . 17695 1 383 . 1 1 121 121 SER CA C 13 57.859 0.0015 . 1 . . . . 121 SER CA . 17695 1 384 . 1 1 121 121 SER CB C 13 63.253 0.0015 . 1 . . . . 121 SER CB . 17695 1 385 . 1 1 121 121 SER N N 15 115.431 0.0015 . 1 . . . . 121 SER N . 17695 1 386 . 1 1 122 122 ASP H H 1 8.373 0.0015 . 1 . . . . 122 ASP H . 17695 1 387 . 1 1 122 122 ASP CA C 13 54.640 0.0015 . 1 . . . . 122 ASP CA . 17695 1 388 . 1 1 122 122 ASP CB C 13 40.439 0.0015 . 1 . . . . 122 ASP CB . 17695 1 389 . 1 1 122 122 ASP N N 15 122.530 0.0015 . 1 . . . . 122 ASP N . 17695 1 390 . 1 1 123 123 SER H H 1 8.019 0.0015 . 1 . . . . 123 SER H . 17695 1 391 . 1 1 123 123 SER C C 13 173.541 0.0015 . 1 . . . . 123 SER C . 17695 1 392 . 1 1 123 123 SER CA C 13 57.603 0.0015 . 1 . . . . 123 SER CA . 17695 1 393 . 1 1 123 123 SER CB C 13 63.809 0.0015 . 1 . . . . 123 SER CB . 17695 1 394 . 1 1 123 123 SER N N 15 115.479 0.0015 . 1 . . . . 123 SER N . 17695 1 395 . 1 1 124 124 GLN H H 1 8.930 0.0015 . 1 . . . . 124 GLN H . 17695 1 396 . 1 1 124 124 GLN C C 13 173.911 0.0015 . 1 . . . . 124 GLN C . 17695 1 397 . 1 1 124 124 GLN CA C 13 54.100 0.0015 . 1 . . . . 124 GLN CA . 17695 1 398 . 1 1 124 124 GLN CB C 13 31.518 0.0015 . 1 . . . . 124 GLN CB . 17695 1 399 . 1 1 124 124 GLN N N 15 121.789 0.0015 . 1 . . . . 124 GLN N . 17695 1 400 . 1 1 125 125 THR H H 1 8.536 0.0015 . 1 . . . . 125 THR H . 17695 1 401 . 1 1 125 125 THR C C 13 172.802 0.0015 . 1 . . . . 125 THR C . 17695 1 402 . 1 1 125 125 THR CA C 13 61.135 0.0015 . 1 . . . . 125 THR CA . 17695 1 403 . 1 1 125 125 THR CB C 13 69.218 0.0015 . 1 . . . . 125 THR CB . 17695 1 404 . 1 1 125 125 THR N N 15 118.083 0.0015 . 1 . . . . 125 THR N . 17695 1 405 . 1 1 126 126 LEU H H 1 8.792 0.0015 . 1 . . . . 126 LEU H . 17695 1 406 . 1 1 126 126 LEU C C 13 172.656 0.0015 . 1 . . . . 126 LEU C . 17695 1 407 . 1 1 126 126 LEU CA C 13 53.161 0.0015 . 1 . . . . 126 LEU CA . 17695 1 408 . 1 1 126 126 LEU N N 15 128.638 0.0015 . 1 . . . . 126 LEU N . 17695 1 409 . 1 1 128 128 ILE H H 1 9.044 0.0015 . 1 . . . . 128 ILE H . 17695 1 410 . 1 1 128 128 ILE CA C 13 61.241 0.0015 . 1 . . . . 128 ILE CA . 17695 1 411 . 1 1 128 128 ILE CB C 13 39.401 0.0015 . 1 . . . . 128 ILE CB . 17695 1 412 . 1 1 128 128 ILE N N 15 122.272 0.0015 . 1 . . . . 128 ILE N . 17695 1 413 . 1 1 129 129 TYR H H 1 8.297 0.0015 . 1 . . . . 129 TYR H . 17695 1 414 . 1 1 129 129 TYR CA C 13 55.940 0.0015 . 1 . . . . 129 TYR CA . 17695 1 415 . 1 1 129 129 TYR N N 15 124.438 0.0015 . 1 . . . . 129 TYR N . 17695 1 416 . 1 1 130 130 LEU H H 1 8.814 0.0015 . 1 . . . . 130 LEU H . 17695 1 417 . 1 1 130 130 LEU C C 13 175.692 0.0015 . 1 . . . . 130 LEU C . 17695 1 418 . 1 1 130 130 LEU CA C 13 53.530 0.0015 . 1 . . . . 130 LEU CA . 17695 1 419 . 1 1 130 130 LEU CB C 13 45.292 0.0015 . 1 . . . . 130 LEU CB . 17695 1 420 . 1 1 130 130 LEU N N 15 124.236 0.0015 . 1 . . . . 130 LEU N . 17695 1 421 . 1 1 131 131 ILE H H 1 8.666 0.0015 . 1 . . . . 131 ILE H . 17695 1 422 . 1 1 131 131 ILE CA C 13 59.205 0.0015 . 1 . . . . 131 ILE CA . 17695 1 423 . 1 1 131 131 ILE N N 15 117.331 0.0015 . 1 . . . . 131 ILE N . 17695 1 424 . 1 1 133 133 ARG H H 1 8.282 0.0015 . 1 . . . . 133 ARG H . 17695 1 425 . 1 1 133 133 ARG C C 13 175.950 0.0015 . 1 . . . . 133 ARG C . 17695 1 426 . 1 1 133 133 ARG CA C 13 55.011 0.0015 . 1 . . . . 133 ARG CA . 17695 1 427 . 1 1 133 133 ARG CB C 13 30.205 0.0015 . 1 . . . . 133 ARG CB . 17695 1 428 . 1 1 133 133 ARG N N 15 127.796 0.0015 . 1 . . . . 133 ARG N . 17695 1 429 . 1 1 134 134 SER H H 1 8.418 0.0015 . 1 . . . . 134 SER H . 17695 1 430 . 1 1 134 134 SER C C 13 173.707 0.0015 . 1 . . . . 134 SER C . 17695 1 431 . 1 1 134 134 SER CA C 13 59.349 0.0015 . 1 . . . . 134 SER CA . 17695 1 432 . 1 1 134 134 SER CB C 13 63.150 0.0015 . 1 . . . . 134 SER CB . 17695 1 433 . 1 1 134 134 SER N N 15 120.314 0.0015 . 1 . . . . 134 SER N . 17695 1 434 . 1 1 135 135 VAL H H 1 8.124 0.0015 . 1 . . . . 135 VAL H . 17695 1 435 . 1 1 135 135 VAL C C 13 176.367 0.0015 . 1 . . . . 135 VAL C . 17695 1 436 . 1 1 135 135 VAL CA C 13 59.472 0.0015 . 1 . . . . 135 VAL CA . 17695 1 437 . 1 1 135 135 VAL CB C 13 32.878 0.0015 . 1 . . . . 135 VAL CB . 17695 1 438 . 1 1 135 135 VAL N N 15 116.466 0.0015 . 1 . . . . 135 VAL N . 17695 1 439 . 1 1 136 136 ASP H H 1 8.562 0.0015 . 1 . . . . 136 ASP H . 17695 1 440 . 1 1 136 136 ASP CA C 13 56.318 0.0015 . 1 . . . . 136 ASP CA . 17695 1 441 . 1 1 136 136 ASP CB C 13 39.917 0.0015 . 1 . . . . 136 ASP CB . 17695 1 442 . 1 1 136 136 ASP N N 15 121.861 0.0015 . 1 . . . . 136 ASP N . 17695 1 443 . 1 1 137 137 THR H H 1 7.492 0.0015 . 1 . . . . 137 THR H . 17695 1 444 . 1 1 137 137 THR C C 13 174.413 0.0015 . 1 . . . . 137 THR C . 17695 1 445 . 1 1 137 137 THR CA C 13 61.651 0.0015 . 1 . . . . 137 THR CA . 17695 1 446 . 1 1 137 137 THR CB C 13 68.862 0.0015 . 1 . . . . 137 THR CB . 17695 1 447 . 1 1 137 137 THR N N 15 106.982 0.0015 . 1 . . . . 137 THR N . 17695 1 448 . 1 1 138 138 ARG H H 1 7.336 0.0015 . 1 . . . . 138 ARG H . 17695 1 449 . 1 1 138 138 ARG C C 13 173.899 0.0015 . 1 . . . . 138 ARG C . 17695 1 450 . 1 1 138 138 ARG CA C 13 54.180 0.0015 . 1 . . . . 138 ARG CA . 17695 1 451 . 1 1 138 138 ARG CB C 13 31.469 0.0015 . 1 . . . . 138 ARG CB . 17695 1 452 . 1 1 138 138 ARG N N 15 120.762 0.0015 . 1 . . . . 138 ARG N . 17695 1 453 . 1 1 139 139 ASN H H 1 8.612 0.0015 . 1 . . . . 139 ASN H . 17695 1 454 . 1 1 139 139 ASN C C 13 173.984 0.0015 . 1 . . . . 139 ASN C . 17695 1 455 . 1 1 139 139 ASN CA C 13 52.547 0.0015 . 1 . . . . 139 ASN CA . 17695 1 456 . 1 1 139 139 ASN CB C 13 38.022 0.0015 . 1 . . . . 139 ASN CB . 17695 1 457 . 1 1 139 139 ASN N N 15 124.712 0.0015 . 1 . . . . 139 ASN N . 17695 1 458 . 1 1 140 140 ILE H H 1 8.206 0.0015 . 1 . . . . 140 ILE H . 17695 1 459 . 1 1 140 140 ILE C C 13 174.466 0.0015 . 1 . . . . 140 ILE C . 17695 1 460 . 1 1 140 140 ILE CA C 13 60.179 0.0015 . 1 . . . . 140 ILE CA . 17695 1 461 . 1 1 140 140 ILE CB C 13 38.349 0.0015 . 1 . . . . 140 ILE CB . 17695 1 462 . 1 1 140 140 ILE N N 15 125.356 0.0015 . 1 . . . . 140 ILE N . 17695 1 463 . 1 1 141 141 VAL H H 1 8.713 0.0015 . 1 . . . . 141 VAL H . 17695 1 464 . 1 1 141 141 VAL C C 13 174.250 0.0015 . 1 . . . . 141 VAL C . 17695 1 465 . 1 1 141 141 VAL CA C 13 59.426 0.0015 . 1 . . . . 141 VAL CA . 17695 1 466 . 1 1 141 141 VAL CB C 13 34.835 0.0015 . 1 . . . . 141 VAL CB . 17695 1 467 . 1 1 141 141 VAL N N 15 124.968 0.0015 . 1 . . . . 141 VAL N . 17695 1 468 . 1 1 142 142 LEU H H 1 8.265 0.0015 . 1 . . . . 142 LEU H . 17695 1 469 . 1 1 142 142 LEU C C 13 175.883 0.0015 . 1 . . . . 142 LEU C . 17695 1 470 . 1 1 142 142 LEU CA C 13 53.043 0.0015 . 1 . . . . 142 LEU CA . 17695 1 471 . 1 1 142 142 LEU CB C 13 42.288 0.0015 . 1 . . . . 142 LEU CB . 17695 1 472 . 1 1 142 142 LEU N N 15 122.697 0.0015 . 1 . . . . 142 LEU N . 17695 1 473 . 1 1 143 143 ALA H H 1 8.600 0.0015 . 1 . . . . 143 ALA H . 17695 1 474 . 1 1 143 143 ALA C C 13 176.499 0.0015 . 1 . . . . 143 ALA C . 17695 1 475 . 1 1 143 143 ALA CA C 13 49.618 0.0015 . 1 . . . . 143 ALA CA . 17695 1 476 . 1 1 143 143 ALA CB C 13 21.858 0.0015 . 1 . . . . 143 ALA CB . 17695 1 477 . 1 1 143 143 ALA N N 15 124.372 0.0015 . 1 . . . . 143 ALA N . 17695 1 478 . 1 1 144 144 VAL H H 1 8.725 0.0015 . 1 . . . . 144 VAL H . 17695 1 479 . 1 1 144 144 VAL C C 13 174.966 0.0015 . 1 . . . . 144 VAL C . 17695 1 480 . 1 1 144 144 VAL CA C 13 61.392 0.0015 . 1 . . . . 144 VAL CA . 17695 1 481 . 1 1 144 144 VAL CB C 13 33.030 0.0015 . 1 . . . . 144 VAL CB . 17695 1 482 . 1 1 144 144 VAL N N 15 123.416 0.0015 . 1 . . . . 144 VAL N . 17695 1 483 . 1 1 145 145 ASP H H 1 8.799 0.0015 . 1 . . . . 145 ASP H . 17695 1 484 . 1 1 145 145 ASP CA C 13 51.340 0.0015 . 1 . . . . 145 ASP CA . 17695 1 485 . 1 1 145 145 ASP CB C 13 39.574 0.0015 . 1 . . . . 145 ASP CB . 17695 1 486 . 1 1 145 145 ASP N N 15 128.340 0.0015 . 1 . . . . 145 ASP N . 17695 1 487 . 1 1 146 146 LEU H H 1 8.478 0.0015 . 1 . . . . 146 LEU H . 17695 1 488 . 1 1 146 146 LEU CA C 13 57.456 0.0015 . 1 . . . . 146 LEU CA . 17695 1 489 . 1 1 146 146 LEU CB C 13 40.595 0.0015 . 1 . . . . 146 LEU CB . 17695 1 490 . 1 1 146 146 LEU N N 15 124.450 0.0015 . 1 . . . . 146 LEU N . 17695 1 491 . 1 1 147 147 GLU H H 1 8.140 0.0015 . 1 . . . . 147 GLU H . 17695 1 492 . 1 1 147 147 GLU C C 13 177.782 0.0015 . 1 . . . . 147 GLU C . 17695 1 493 . 1 1 147 147 GLU CA C 13 57.673 0.0015 . 1 . . . . 147 GLU CA . 17695 1 494 . 1 1 147 147 GLU CB C 13 28.594 0.0015 . 1 . . . . 147 GLU CB . 17695 1 495 . 1 1 147 147 GLU N N 15 116.550 0.0015 . 1 . . . . 147 GLU N . 17695 1 496 . 1 1 148 148 LYS H H 1 7.828 0.0015 . 1 . . . . 148 LYS H . 17695 1 497 . 1 1 148 148 LYS C C 13 174.744 0.0015 . 1 . . . . 148 LYS C . 17695 1 498 . 1 1 148 148 LYS CA C 13 53.605 0.0015 . 1 . . . . 148 LYS CA . 17695 1 499 . 1 1 148 148 LYS CB C 13 32.007 0.0015 . 1 . . . . 148 LYS CB . 17695 1 500 . 1 1 148 148 LYS N N 15 117.722 0.0015 . 1 . . . . 148 LYS N . 17695 1 501 . 1 1 149 149 VAL H H 1 7.111 0.0015 . 1 . . . . 149 VAL H . 17695 1 502 . 1 1 149 149 VAL C C 13 176.324 0.0015 . 1 . . . . 149 VAL C . 17695 1 503 . 1 1 149 149 VAL CA C 13 60.362 0.0015 . 1 . . . . 149 VAL CA . 17695 1 504 . 1 1 149 149 VAL CB C 13 32.425 0.0015 . 1 . . . . 149 VAL CB . 17695 1 505 . 1 1 149 149 VAL N N 15 120.428 0.0015 . 1 . . . . 149 VAL N . 17695 1 506 . 1 1 150 150 GLY H H 1 8.313 0.0015 . 1 . . . . 150 GLY H . 17695 1 507 . 1 1 150 150 GLY C C 13 169.988 0.0015 . 1 . . . . 150 GLY C . 17695 1 508 . 1 1 150 150 GLY CA C 13 44.840 0.0015 . 1 . . . . 150 GLY CA . 17695 1 509 . 1 1 150 150 GLY N N 15 112.642 0.0015 . 1 . . . . 150 GLY N . 17695 1 510 . 1 1 151 151 LYS H H 1 8.266 0.0015 . 1 . . . . 151 LYS H . 17695 1 511 . 1 1 151 151 LYS C C 13 174.171 0.0015 . 1 . . . . 151 LYS C . 17695 1 512 . 1 1 151 151 LYS CA C 13 52.989 0.0015 . 1 . . . . 151 LYS CA . 17695 1 513 . 1 1 151 151 LYS CB C 13 34.165 0.0015 . 1 . . . . 151 LYS CB . 17695 1 514 . 1 1 151 151 LYS N N 15 116.108 0.0015 . 1 . . . . 151 LYS N . 17695 1 515 . 1 1 152 152 ASN H H 1 7.652 0.0015 . 1 . . . . 152 ASN H . 17695 1 516 . 1 1 152 152 ASN CA C 13 52.293 0.0015 . 1 . . . . 152 ASN CA . 17695 1 517 . 1 1 152 152 ASN CB C 13 38.683 0.0015 . 1 . . . . 152 ASN CB . 17695 1 518 . 1 1 152 152 ASN N N 15 121.652 0.0015 . 1 . . . . 152 ASN N . 17695 1 519 . 1 1 153 153 ASP H H 1 8.826 0.0015 . 1 . . . . 153 ASP H . 17695 1 520 . 1 1 153 153 ASP CA C 13 56.402 0.0015 . 1 . . . . 153 ASP CA . 17695 1 521 . 1 1 153 153 ASP N N 15 122.129 0.0015 . 1 . . . . 153 ASP N . 17695 1 522 . 1 1 154 154 ASP H H 1 8.161 0.0015 . 1 . . . . 154 ASP H . 17695 1 523 . 1 1 154 154 ASP CA C 13 52.883 0.0015 . 1 . . . . 154 ASP CA . 17695 1 524 . 1 1 154 154 ASP CB C 13 39.647 0.0015 . 1 . . . . 154 ASP CB . 17695 1 525 . 1 1 154 154 ASP N N 15 116.818 0.0015 . 1 . . . . 154 ASP N . 17695 1 526 . 1 1 155 155 VAL H H 1 7.145 0.0015 . 1 . . . . 155 VAL H . 17695 1 527 . 1 1 155 155 VAL CA C 13 62.742 0.0015 . 1 . . . . 155 VAL CA . 17695 1 528 . 1 1 155 155 VAL N N 15 120.081 0.0015 . 1 . . . . 155 VAL N . 17695 1 529 . 1 1 159 159 GLY H H 1 8.829 0.0015 . 1 . . . . 159 GLY H . 17695 1 530 . 1 1 159 159 GLY C C 13 173.883 0.0015 . 1 . . . . 159 GLY C . 17695 1 531 . 1 1 159 159 GLY CA C 13 45.029 0.0015 . 1 . . . . 159 GLY CA . 17695 1 532 . 1 1 159 159 GLY N N 15 115.307 0.0015 . 1 . . . . 159 GLY N . 17695 1 533 . 1 1 160 160 TRP H H 1 8.101 0.0015 . 1 . . . . 160 TRP H . 17695 1 534 . 1 1 160 160 TRP C C 13 174.310 0.0015 . 1 . . . . 160 TRP C . 17695 1 535 . 1 1 160 160 TRP CA C 13 55.948 0.0015 . 1 . . . . 160 TRP CA . 17695 1 536 . 1 1 160 160 TRP CB C 13 31.883 0.0015 . 1 . . . . 160 TRP CB . 17695 1 537 . 1 1 160 160 TRP N N 15 121.103 0.0015 . 1 . . . . 160 TRP N . 17695 1 538 . 1 1 161 161 ASP H H 1 9.641 0.0015 . 1 . . . . 161 ASP H . 17695 1 539 . 1 1 161 161 ASP C C 13 176.097 0.0015 . 1 . . . . 161 ASP C . 17695 1 540 . 1 1 161 161 ASP CA C 13 53.169 0.0015 . 1 . . . . 161 ASP CA . 17695 1 541 . 1 1 161 161 ASP CB C 13 41.819 0.0015 . 1 . . . . 161 ASP CB . 17695 1 542 . 1 1 161 161 ASP N N 15 121.962 0.0015 . 1 . . . . 161 ASP N . 17695 1 543 . 1 1 162 162 ILE H H 1 8.868 0.0015 . 1 . . . . 162 ILE H . 17695 1 544 . 1 1 162 162 ILE C C 13 175.948 0.0015 . 1 . . . . 162 ILE C . 17695 1 545 . 1 1 162 162 ILE CA C 13 61.159 0.0015 . 1 . . . . 162 ILE CA . 17695 1 546 . 1 1 162 162 ILE CB C 13 36.641 0.0015 . 1 . . . . 162 ILE CB . 17695 1 547 . 1 1 162 162 ILE N N 15 122.594 0.0015 . 1 . . . . 162 ILE N . 17695 1 548 . 1 1 163 163 GLU H H 1 9.223 0.0015 . 1 . . . . 163 GLU H . 17695 1 549 . 1 1 163 163 GLU CA C 13 57.480 0.0015 . 1 . . . . 163 GLU CA . 17695 1 550 . 1 1 163 163 GLU CB C 13 29.862 0.0015 . 1 . . . . 163 GLU CB . 17695 1 551 . 1 1 163 163 GLU N N 15 130.082 0.0015 . 1 . . . . 163 GLU N . 17695 1 552 . 1 1 164 164 SER H H 1 7.418 0.0015 . 1 . . . . 164 SER H . 17695 1 553 . 1 1 164 164 SER C C 13 172.045 0.0015 . 1 . . . . 164 SER C . 17695 1 554 . 1 1 164 164 SER CA C 13 57.205 0.0015 . 1 . . . . 164 SER CA . 17695 1 555 . 1 1 164 164 SER CB C 13 63.829 0.0015 . 1 . . . . 164 SER CB . 17695 1 556 . 1 1 164 164 SER N N 15 108.307 0.0015 . 1 . . . . 164 SER N . 17695 1 557 . 1 1 165 165 PHE H H 1 8.648 0.0015 . 1 . . . . 165 PHE H . 17695 1 558 . 1 1 165 165 PHE C C 13 173.302 0.0015 . 1 . . . . 165 PHE C . 17695 1 559 . 1 1 165 165 PHE CA C 13 55.385 0.0015 . 1 . . . . 165 PHE CA . 17695 1 560 . 1 1 165 165 PHE CB C 13 40.236 0.0015 . 1 . . . . 165 PHE CB . 17695 1 561 . 1 1 165 165 PHE N N 15 123.180 0.0015 . 1 . . . . 165 PHE N . 17695 1 562 . 1 1 166 166 THR H H 1 8.115 0.0015 . 1 . . . . 166 THR H . 17695 1 563 . 1 1 166 166 THR C C 13 170.846 0.0015 . 1 . . . . 166 THR C . 17695 1 564 . 1 1 166 166 THR CA C 13 59.275 0.0015 . 1 . . . . 166 THR CA . 17695 1 565 . 1 1 166 166 THR CB C 13 71.082 0.0015 . 1 . . . . 166 THR CB . 17695 1 566 . 1 1 166 166 THR N N 15 119.318 0.0015 . 1 . . . . 166 THR N . 17695 1 567 . 1 1 167 167 ALA H H 1 8.157 0.0015 . 1 . . . . 167 ALA H . 17695 1 568 . 1 1 167 167 ALA C C 13 176.012 0.0015 . 1 . . . . 167 ALA C . 17695 1 569 . 1 1 167 167 ALA CA C 13 50.056 0.0015 . 1 . . . . 167 ALA CA . 17695 1 570 . 1 1 167 167 ALA CB C 13 20.676 0.0015 . 1 . . . . 167 ALA CB . 17695 1 571 . 1 1 167 167 ALA N N 15 122.643 0.0015 . 1 . . . . 167 ALA N . 17695 1 572 . 1 1 172 172 ALA H H 1 8.333 0.0015 . 1 . . . . 172 ALA H . 17695 1 573 . 1 1 172 172 ALA C C 13 177.094 0.0015 . 1 . . . . 172 ALA C . 17695 1 574 . 1 1 172 172 ALA CA C 13 51.695 0.0015 . 1 . . . . 172 ALA CA . 17695 1 575 . 1 1 172 172 ALA CB C 13 18.558 0.0015 . 1 . . . . 172 ALA CB . 17695 1 576 . 1 1 172 172 ALA N N 15 124.974 0.0015 . 1 . . . . 172 ALA N . 17695 1 577 . 1 1 175 175 ALA H H 1 8.149 0.0015 . 1 . . . . 175 ALA H . 17695 1 578 . 1 1 175 175 ALA CA C 13 52.236 0.0015 . 1 . . . . 175 ALA CA . 17695 1 579 . 1 1 175 175 ALA N N 15 124.816 0.0015 . 1 . . . . 175 ALA N . 17695 1 580 . 1 1 176 176 LEU H H 1 7.887 0.0015 . 1 . . . . 176 LEU H . 17695 1 581 . 1 1 176 176 LEU C C 13 177.619 0.0015 . 1 . . . . 176 LEU C . 17695 1 582 . 1 1 176 176 LEU CA C 13 55.250 0.0015 . 1 . . . . 176 LEU CA . 17695 1 583 . 1 1 176 176 LEU CB C 13 41.287 0.0015 . 1 . . . . 176 LEU CB . 17695 1 584 . 1 1 176 176 LEU N N 15 120.428 0.0015 . 1 . . . . 176 LEU N . 17695 1 585 . 1 1 177 177 GLU H H 1 8.341 0.0015 . 1 . . . . 177 GLU H . 17695 1 586 . 1 1 177 177 GLU C C 13 176.112 0.0015 . 1 . . . . 177 GLU C . 17695 1 587 . 1 1 177 177 GLU CA C 13 56.685 0.0015 . 1 . . . . 177 GLU CA . 17695 1 588 . 1 1 177 177 GLU CB C 13 28.821 0.0015 . 1 . . . . 177 GLU CB . 17695 1 589 . 1 1 177 177 GLU N N 15 119.545 0.0015 . 1 . . . . 177 GLU N . 17695 1 590 . 1 1 178 178 ASP H H 1 8.052 0.0015 . 1 . . . . 178 ASP H . 17695 1 591 . 1 1 178 178 ASP CA C 13 53.997 0.0015 . 1 . . . . 178 ASP CA . 17695 1 592 . 1 1 178 178 ASP N N 15 119.703 0.0015 . 1 . . . . 178 ASP N . 17695 1 593 . 1 1 179 179 ARG H H 1 7.945 0.0015 . 1 . . . . 179 ARG H . 17695 1 594 . 1 1 179 179 ARG CA C 13 55.406 0.0015 . 1 . . . . 179 ARG CA . 17695 1 595 . 1 1 179 179 ARG CB C 13 29.383 0.0015 . 1 . . . . 179 ARG CB . 17695 1 596 . 1 1 179 179 ARG N N 15 120.320 0.0015 . 1 . . . . 179 ARG N . 17695 1 597 . 1 1 186 186 TYR H H 1 8.734 0.0015 . 1 . . . . 186 TYR H . 17695 1 598 . 1 1 186 186 TYR C C 13 174.182 0.0015 . 1 . . . . 186 TYR C . 17695 1 599 . 1 1 186 186 TYR CA C 13 58.347 0.0015 . 1 . . . . 186 TYR CA . 17695 1 600 . 1 1 186 186 TYR CB C 13 37.382 0.0015 . 1 . . . . 186 TYR CB . 17695 1 601 . 1 1 186 186 TYR N N 15 126.030 0.0015 . 1 . . . . 186 TYR N . 17695 1 602 . 1 1 187 187 GLN H H 1 8.707 0.0015 . 1 . . . . 187 GLN H . 17695 1 603 . 1 1 187 187 GLN C C 13 175.136 0.0015 . 1 . . . . 187 GLN C . 17695 1 604 . 1 1 187 187 GLN CA C 13 53.752 0.0015 . 1 . . . . 187 GLN CA . 17695 1 605 . 1 1 187 187 GLN CB C 13 28.942 0.0015 . 1 . . . . 187 GLN CB . 17695 1 606 . 1 1 187 187 GLN N N 15 120.911 0.0015 . 1 . . . . 187 GLN N . 17695 1 607 . 1 1 188 188 LEU H H 1 9.134 0.0015 . 1 . . . . 188 LEU H . 17695 1 608 . 1 1 188 188 LEU C C 13 174.129 0.0015 . 1 . . . . 188 LEU C . 17695 1 609 . 1 1 188 188 LEU CA C 13 53.081 0.0015 . 1 . . . . 188 LEU CA . 17695 1 610 . 1 1 188 188 LEU N N 15 130.434 0.0015 . 1 . . . . 188 LEU N . 17695 1 611 . 1 1 189 189 ARG H H 1 8.535 0.0015 . 1 . . . . 189 ARG H . 17695 1 612 . 1 1 189 189 ARG C C 13 175.421 0.0015 . 1 . . . . 189 ARG C . 17695 1 613 . 1 1 189 189 ARG CA C 13 55.522 0.0015 . 1 . . . . 189 ARG CA . 17695 1 614 . 1 1 189 189 ARG CB C 13 29.457 0.0015 . 1 . . . . 189 ARG CB . 17695 1 615 . 1 1 189 189 ARG N N 15 129.085 0.0015 . 1 . . . . 189 ARG N . 17695 1 616 . 1 1 190 190 ILE H H 1 8.843 0.0015 . 1 . . . . 190 ILE H . 17695 1 617 . 1 1 190 190 ILE CA C 13 58.712 0.0015 . 1 . . . . 190 ILE CA . 17695 1 618 . 1 1 190 190 ILE CB C 13 40.999 0.0015 . 1 . . . . 190 ILE CB . 17695 1 619 . 1 1 190 190 ILE N N 15 120.702 0.0015 . 1 . . . . 190 ILE N . 17695 1 620 . 1 1 191 191 SER H H 1 9.185 0.0015 . 1 . . . . 191 SER H . 17695 1 621 . 1 1 191 191 SER C C 13 174.074 0.0015 . 1 . . . . 191 SER C . 17695 1 622 . 1 1 191 191 SER CA C 13 56.347 0.0015 . 1 . . . . 191 SER CA . 17695 1 623 . 1 1 191 191 SER CB C 13 65.078 0.0015 . 1 . . . . 191 SER CB . 17695 1 624 . 1 1 191 191 SER N N 15 116.210 0.0015 . 1 . . . . 191 SER N . 17695 1 625 . 1 1 192 192 ARG H H 1 8.810 0.0015 . 1 . . . . 192 ARG H . 17695 1 626 . 1 1 192 192 ARG C C 13 176.969 0.0015 . 1 . . . . 192 ARG C . 17695 1 627 . 1 1 192 192 ARG CA C 13 56.552 0.0015 . 1 . . . . 192 ARG CA . 17695 1 628 . 1 1 192 192 ARG CB C 13 29.512 0.0015 . 1 . . . . 192 ARG CB . 17695 1 629 . 1 1 192 192 ARG N N 15 127.086 0.0015 . 1 . . . . 192 ARG N . 17695 1 630 . 1 1 193 193 GLN H H 1 7.866 0.0015 . 1 . . . . 193 GLN H . 17695 1 631 . 1 1 193 193 GLN C C 13 176.811 0.0015 . 1 . . . . 193 GLN C . 17695 1 632 . 1 1 193 193 GLN CA C 13 55.749 0.0015 . 1 . . . . 193 GLN CA . 17695 1 633 . 1 1 193 193 GLN CB C 13 27.782 0.0015 . 1 . . . . 193 GLN CB . 17695 1 634 . 1 1 193 193 GLN N N 15 124.760 0.0015 . 1 . . . . 193 GLN N . 17695 1 635 . 1 1 194 194 GLY H H 1 8.555 0.0015 . 1 . . . . 194 GLY H . 17695 1 636 . 1 1 194 194 GLY C C 13 174.605 0.0015 . 1 . . . . 194 GLY C . 17695 1 637 . 1 1 194 194 GLY CA C 13 44.797 0.0015 . 1 . . . . 194 GLY CA . 17695 1 638 . 1 1 194 194 GLY N N 15 111.681 0.0015 . 1 . . . . 194 GLY N . 17695 1 639 . 1 1 195 195 GLY H H 1 8.131 0.0015 . 1 . . . . 195 GLY H . 17695 1 640 . 1 1 195 195 GLY C C 13 173.884 0.0015 . 1 . . . . 195 GLY C . 17695 1 641 . 1 1 195 195 GLY CA C 13 44.657 0.0015 . 1 . . . . 195 GLY CA . 17695 1 642 . 1 1 195 195 GLY N N 15 108.908 0.0015 . 1 . . . . 195 GLY N . 17695 1 stop_ save_