data_19817 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19817 _Entry.Title ; NMR structure of the dilated cardiomyopathy mutation G159D in troponin C bound to the anchoring region of troponin I ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-02-26 _Entry.Accession_date 2014-02-26 _Entry.Last_release_date 2014-03-10 _Entry.Original_release_date 2014-03-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Olga Baryshnikova . K. . 19817 2 Ian Robertson . M. . 19817 3 Pascal Mercier . . . 19817 4 Brian Sykes . D. . 19817 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19817 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'troponin C' . 19817 'metal binding protein' . 19817 'dilated cardiomyopathy' . 19817 G159D . 19817 EF-hand . 19817 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19817 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 439 19817 '13C chemical shifts' 221 19817 '15N chemical shifts' 76 19817 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 . . 2014-03-10 2014-02-26 original author . 19817 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19816 'C-domain of troponin C bound to the anchoring region of troponin I' 19817 PDB 2MLF 'BMRB Entry Tracking System' 19817 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19817 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18803402 _Citation.Full_citation . _Citation.Title 'The dilated cardiomyopathy G159D mutation in cardiac troponin C weakens the anchoring interaction with troponin I.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 47 _Citation.Journal_issue 41 _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 10950 _Citation.Page_last 10960 _Citation.Year 2008 _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 Olga Baryshnikova . K. . 19817 1 2 Ian Robertson . M. . 19817 1 3 Pascal Mercier . . . 19817 1 4 Brian Sykes . D. . 19817 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19817 _Assembly.ID 1 _Assembly.Name 'mutation G159D in troponin C bound to the anchoring region of troponin I' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 cCTnC 1 $cCTnC A . yes native no no . . . 19817 1 2 Calcium_1 2 $entity_CA B . no native no no . . . 19817 1 3 Calcium_2 2 $entity_CA C . no native no no . . . 19817 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cCTnC _Entity.Sf_category entity _Entity.Sf_framecode cCTnC _Entity.Entry_ID 19817 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name cCTnC _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGKSEEELSDLFRMFDKNAD GYIDLDELKIMLQATGETIT EDDIEELMKDGDKNNDGRID YDEFLEFMKDVE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 72 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8427.296 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15385 . F104W . . . . . 98.61 161 97.18 98.59 2.34e-37 . . . . 19817 1 2 no BMRB 15388 . F153W . . . . . 98.61 161 97.18 98.59 2.34e-37 . . . . 19817 1 3 no BMRB 15400 . F153(FTR) . . . . . 98.61 161 97.18 97.18 9.64e-37 . . . . 19817 1 4 no BMRB 15427 . F104(FTR) . . . . . 98.61 161 97.18 98.59 2.34e-37 . . . . 19817 1 5 no BMRB 17243 . cCTnC . . . . . 100.00 72 98.61 98.61 2.85e-39 . . . . 19817 1 6 no BMRB 17440 . CcTnC . . . . . 100.00 72 98.61 98.61 2.85e-39 . . . . 19817 1 7 no BMRB 19816 . cCTnC . . . . . 100.00 72 98.61 98.61 2.85e-39 . . . . 19817 1 8 no BMRB 25120 . cTnC . . . . . 98.61 161 98.59 98.59 6.41e-38 . . . . 19817 1 9 no PDB 1DTL . "Crystal Structure Of Calcium-Saturated (3ca2+) Cardiac Troponin C Complexed With The Calcium Sensitizer Bepridil At 2.15 A Reso" . . . . . 98.61 161 97.18 98.59 2.13e-37 . . . . 19817 1 10 no PDB 1IH0 . "Structure Of The C-Domain Of Human Cardiac Troponin C In Complex With Ca2+ Sensitizer Emd 57033" . . . . . 97.22 71 97.14 98.57 5.34e-37 . . . . 19817 1 11 no PDB 1J1D . "Crystal Structure Of The 46kda Domain Of Human Cardiac Troponin In The Ca2+ Saturated Form" . . . . . 98.61 161 97.18 98.59 2.13e-37 . . . . 19817 1 12 no PDB 1J1E . "Crystal Structure Of The 52kda Domain Of Human Cardiac Troponin In The Ca2+ Saturated Form" . . . . . 98.61 161 97.18 98.59 2.13e-37 . . . . 19817 1 13 no PDB 1OZS . "C-Domain Of Human Cardiac Troponin C In Complex With The Inhibitory Region Of Human Cardiac Troponin I" . . . . . 98.61 73 97.18 98.59 6.41e-38 . . . . 19817 1 14 no PDB 2JT0 . "Solution Structure Of F104w Cardiac Troponin C" . . . . . 98.61 161 97.18 98.59 2.34e-37 . . . . 19817 1 15 no PDB 2JT3 . "Solution Structure Of F153w Cardiac Troponin C" . . . . . 98.61 161 97.18 98.59 2.34e-37 . . . . 19817 1 16 no PDB 2JT8 . "Solution Structure Of The F153-To-5-Flurotryptophan Mutant Of Human Cardiac Troponin C" . . . . . 98.61 161 97.18 97.18 9.64e-37 . . . . 19817 1 17 no PDB 2JTZ . "Solution Structure And Chemical Shift Assignments Of The F104-To-5-Flurotryptophan Mutant Of Cardiac Troponin C" . . . . . 98.61 161 97.18 97.18 9.64e-37 . . . . 19817 1 18 no PDB 2KDH . "The Solution Structure Of Human Cardiac Troponin C In Complex With The Green Tea Polyphenol; (-)- Epigallocatechin-3-Gallate" . . . . . 100.00 72 98.61 98.61 2.85e-39 . . . . 19817 1 19 no PDB 2L98 . "Structure Of Trans-Resveratrol In Complex With The Cardiac Regulatory Protein Troponin C" . . . . . 100.00 72 98.61 98.61 2.85e-39 . . . . 19817 1 20 no PDB 2MLE . "Nmr Structure Of The C-domain Of Troponin C Bound To The Anchoring Region Of Troponin I" . . . . . 100.00 72 98.61 98.61 2.85e-39 . . . . 19817 1 21 no PDB 2MLF . "Nmr Structure Of The Dilated Cardiomyopathy Mutation G159d In Troponin C Bound To The Anchoring Region Of Troponin I" . . . . . 100.00 72 100.00 100.00 3.65e-40 . . . . 19817 1 22 no DBJ BAG36483 . "unnamed protein product [Homo sapiens]" . . . . . 98.61 161 98.59 98.59 7.06e-38 . . . . 19817 1 23 no EMBL CAA30736 . "unnamed protein product [Homo sapiens]" . . . . . 98.61 161 98.59 98.59 7.06e-38 . . . . 19817 1 24 no EMBL CAG46663 . "TNNC1 [Homo sapiens]" . . . . . 98.61 161 98.59 98.59 7.06e-38 . . . . 19817 1 25 no EMBL CAG46683 . "TNNC1 [Homo sapiens]" . . . . . 98.61 161 98.59 98.59 7.06e-38 . . . . 19817 1 26 no GB AAA36772 . "slow twitch skeletal/cardiac muscle troponin C [Homo sapiens]" . . . . . 98.61 161 98.59 98.59 7.06e-38 . . . . 19817 1 27 no GB AAA37492 . "slow/cardiac troponin C, partial [Mus musculus]" . . . . . 98.61 161 97.18 98.59 2.34e-37 . . . . 19817 1 28 no GB AAA37493 . "slow/cardiac troponin C [Mus musculus]" . . . . . 98.61 161 97.18 98.59 2.34e-37 . . . . 19817 1 29 no GB AAB91994 . "cardiac ventricular troponin C [Homo sapiens]" . . . . . 98.61 160 97.18 97.18 1.84e-35 . . . . 19817 1 30 no GB AAH30244 . "Troponin C type 1 (slow) [Homo sapiens]" . . . . . 98.61 161 98.59 98.59 7.06e-38 . . . . 19817 1 31 no PIR TPHUCC . "troponin C, cardiac and slow skeletal muscle - human" . . . . . 98.61 161 98.59 98.59 7.06e-38 . . . . 19817 1 32 no PRF 1510257A . "troponin C" . . . . . 98.61 161 97.18 98.59 2.64e-37 . . . . 19817 1 33 no PRF 750650A . "troponin c,cardiac" . . . . . 98.61 161 97.18 98.59 2.64e-37 . . . . 19817 1 34 no REF NP_001029277 . "troponin C, slow skeletal and cardiac muscles [Rattus norvegicus]" . . . . . 98.61 161 97.18 98.59 2.34e-37 . . . . 19817 1 35 no REF NP_001029523 . "troponin C, slow skeletal and cardiac muscles [Bos taurus]" . . . . . 98.61 161 97.18 98.59 2.64e-37 . . . . 19817 1 36 no REF NP_001123715 . "troponin C, slow skeletal and cardiac muscles [Sus scrofa]" . . . . . 98.61 161 97.18 98.59 2.64e-37 . . . . 19817 1 37 no REF NP_001272501 . "troponin C, slow skeletal and cardiac muscles [Capra hircus]" . . . . . 98.61 161 97.18 98.59 2.64e-37 . . . . 19817 1 38 no REF NP_003271 . "troponin C, slow skeletal and cardiac muscles [Homo sapiens]" . . . . . 98.61 161 98.59 98.59 7.06e-38 . . . . 19817 1 39 no SP P02591 . "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" . . . . . 98.61 161 98.59 98.59 7.06e-38 . . . . 19817 1 40 no SP P19123 . "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" . . . . . 98.61 161 97.18 98.59 2.34e-37 . . . . 19817 1 41 no SP P63315 . "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" . . . . . 98.61 161 97.18 98.59 2.64e-37 . . . . 19817 1 42 no SP P63316 . "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" . . . . . 98.61 161 98.59 98.59 7.06e-38 . . . . 19817 1 43 no SP P63317 . "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" . . . . . 98.61 161 97.18 98.59 2.64e-37 . . . . 19817 1 44 no TPG DAA16908 . "TPA: troponin C, slow skeletal and cardiac muscles [Bos taurus]" . . . . . 98.61 161 97.18 98.59 2.64e-37 . . . . 19817 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 90 MET . 19817 1 2 91 GLY . 19817 1 3 92 LYS . 19817 1 4 93 SER . 19817 1 5 94 GLU . 19817 1 6 95 GLU . 19817 1 7 96 GLU . 19817 1 8 97 LEU . 19817 1 9 98 SER . 19817 1 10 99 ASP . 19817 1 11 100 LEU . 19817 1 12 101 PHE . 19817 1 13 102 ARG . 19817 1 14 103 MET . 19817 1 15 104 PHE . 19817 1 16 105 ASP . 19817 1 17 106 LYS . 19817 1 18 107 ASN . 19817 1 19 108 ALA . 19817 1 20 109 ASP . 19817 1 21 110 GLY . 19817 1 22 111 TYR . 19817 1 23 112 ILE . 19817 1 24 113 ASP . 19817 1 25 114 LEU . 19817 1 26 115 ASP . 19817 1 27 116 GLU . 19817 1 28 117 LEU . 19817 1 29 118 LYS . 19817 1 30 119 ILE . 19817 1 31 120 MET . 19817 1 32 121 LEU . 19817 1 33 122 GLN . 19817 1 34 123 ALA . 19817 1 35 124 THR . 19817 1 36 125 GLY . 19817 1 37 126 GLU . 19817 1 38 127 THR . 19817 1 39 128 ILE . 19817 1 40 129 THR . 19817 1 41 130 GLU . 19817 1 42 131 ASP . 19817 1 43 132 ASP . 19817 1 44 133 ILE . 19817 1 45 134 GLU . 19817 1 46 135 GLU . 19817 1 47 136 LEU . 19817 1 48 137 MET . 19817 1 49 138 LYS . 19817 1 50 139 ASP . 19817 1 51 140 GLY . 19817 1 52 141 ASP . 19817 1 53 142 LYS . 19817 1 54 143 ASN . 19817 1 55 144 ASN . 19817 1 56 145 ASP . 19817 1 57 146 GLY . 19817 1 58 147 ARG . 19817 1 59 148 ILE . 19817 1 60 149 ASP . 19817 1 61 150 TYR . 19817 1 62 151 ASP . 19817 1 63 152 GLU . 19817 1 64 153 PHE . 19817 1 65 154 LEU . 19817 1 66 155 GLU . 19817 1 67 156 PHE . 19817 1 68 157 MET . 19817 1 69 158 LYS . 19817 1 70 159 ASP . 19817 1 71 160 VAL . 19817 1 72 161 GLU . 19817 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 19817 1 . GLY 2 2 19817 1 . LYS 3 3 19817 1 . SER 4 4 19817 1 . GLU 5 5 19817 1 . GLU 6 6 19817 1 . GLU 7 7 19817 1 . LEU 8 8 19817 1 . SER 9 9 19817 1 . ASP 10 10 19817 1 . LEU 11 11 19817 1 . PHE 12 12 19817 1 . ARG 13 13 19817 1 . MET 14 14 19817 1 . PHE 15 15 19817 1 . ASP 16 16 19817 1 . LYS 17 17 19817 1 . ASN 18 18 19817 1 . ALA 19 19 19817 1 . ASP 20 20 19817 1 . GLY 21 21 19817 1 . TYR 22 22 19817 1 . ILE 23 23 19817 1 . ASP 24 24 19817 1 . LEU 25 25 19817 1 . ASP 26 26 19817 1 . GLU 27 27 19817 1 . LEU 28 28 19817 1 . LYS 29 29 19817 1 . ILE 30 30 19817 1 . MET 31 31 19817 1 . LEU 32 32 19817 1 . GLN 33 33 19817 1 . ALA 34 34 19817 1 . THR 35 35 19817 1 . GLY 36 36 19817 1 . GLU 37 37 19817 1 . THR 38 38 19817 1 . ILE 39 39 19817 1 . THR 40 40 19817 1 . GLU 41 41 19817 1 . ASP 42 42 19817 1 . ASP 43 43 19817 1 . ILE 44 44 19817 1 . GLU 45 45 19817 1 . GLU 46 46 19817 1 . LEU 47 47 19817 1 . MET 48 48 19817 1 . LYS 49 49 19817 1 . ASP 50 50 19817 1 . GLY 51 51 19817 1 . ASP 52 52 19817 1 . LYS 53 53 19817 1 . ASN 54 54 19817 1 . ASN 55 55 19817 1 . ASP 56 56 19817 1 . GLY 57 57 19817 1 . ARG 58 58 19817 1 . ILE 59 59 19817 1 . ASP 60 60 19817 1 . TYR 61 61 19817 1 . ASP 62 62 19817 1 . GLU 63 63 19817 1 . PHE 64 64 19817 1 . LEU 65 65 19817 1 . GLU 66 66 19817 1 . PHE 67 67 19817 1 . MET 68 68 19817 1 . LYS 69 69 19817 1 . ASP 70 70 19817 1 . VAL 71 71 19817 1 . GLU 72 72 19817 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 19817 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 19817 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 19817 2 CA 'Three letter code' 19817 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 19817 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19817 _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 $cCTnC . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19817 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 19817 _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 $cCTnC . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . BL21(DE3)pLysS . . . . . . 19817 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 19817 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 19817 CA [Ca++] SMILES CACTVS 3.341 19817 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 19817 CA [Ca+2] SMILES ACDLabs 10.04 19817 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 19817 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19817 CA InChI=1S/Ca/q+2 InChI InChI 1.03 19817 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 19817 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19817 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19817 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19817 _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 cCTnC '[U-95% 13C; U-95% 15N]' . . 1 $cCTnC . . 0.5 . . mM . . . . 19817 1 2 Calcium 'natural abundance' . . 2 $entity_CA . . 2 . . mM . . . . 19817 1 3 DSS 'natural abundance' . . . . . . 0.2 . . mM . . . . 19817 1 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19817 1 5 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 19817 1 6 imidazole 'natural abundance' . . . . . . 10 . . mM . . . . 19817 1 7 'troponin I(34-71)' 'natural abundance' . . . . . . 1.2 . . mM . . . . 19817 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19817 1 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19817 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19817 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 cCTnC '[U-95% 13C; U-95% 15N]' . . 1 $cCTnC . . 0.5 . . mM . . . . 19817 2 2 Calcium 'natural abundance' . . 2 $entity_CA . . 2 . . mM . . . . 19817 2 3 DSS 'natural abundance' . . . . . . 0.2 . . mM . . . . 19817 2 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19817 2 5 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 19817 2 6 imidazole 'natural abundance' . . . . . . 0.5 . . mM . . . . 19817 2 7 'troponin I(34-71)' 'natural abundance' . . . . . . 1.2 . . mM . . . . 19817 2 8 imidazole [U-2H] . . . . . . 9.5 . . mM . . . . 19817 2 9 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19817 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19817 _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 temperature 273 . K 19817 1 pH 6.7 . pH 19817 1 pressure 1 . atm 19817 1 'ionic strength' 0.12 . M 19817 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19817 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19817 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19817 1 'geometry optimization' 19817 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 19817 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19817 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19817 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19817 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19817 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19817 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19817 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19817 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 19817 4 'chemical shift assignment' 19817 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 19817 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 19817 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19817 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19817 _Software.ID 6 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19817 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19817 6 refinement 19817 6 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19817 _Software.ID 7 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19817 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19817 7 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19817 _Software.ID 8 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19817 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19817 8 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 19817 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19817 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19817 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19817 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 500 . . . 19817 1 2 spectrometer_2 Varian Unity . 600 . . . 19817 1 3 spectrometer_3 Varian INOVA . 800 . . . 19817 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 19817 _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 . . . . . . . . . . . . . . . . . . . . . 19817 1 2 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19817 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19817 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19817 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19817 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19817 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19817 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19817 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19817 1 10 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19817 1 11 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19817 1 12 '2D DQF-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19817 1 13 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19817 1 14 '2D 13C-15N Filtered 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19817 1 15 '2D 13C-15N Filtered 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19817 1 16 '2D 13C Edited,Filtered NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19817 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 19817 _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 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 19817 1 C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.25144953 . . . . . . . . . 19817 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 19817 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 19817 _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 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19817 1 2 '3D HCCH-TOCSY' . . . 19817 1 3 '3D CBCA(CO)NH' . . . 19817 1 4 '3D HNCACB' . . . 19817 1 5 '3D H(CCO)NH' . . . 19817 1 6 '3D C(CO)NH' . . . 19817 1 9 '3D 1H-15N TOCSY' . . . 19817 1 10 '3D HNHA' . . . 19817 1 11 '3D HNHB' . . . 19817 1 12 '2D DQF-COSY' . . . 19817 1 13 '2D 1H-1H NOESY' . . . 19817 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 3.3200 0.05 . 1 . . . C 90 MET HA . 19817 1 2 . 1 1 1 1 MET HB2 H 1 2.0200 0.05 . 1 . . . C 90 MET HB2 . 19817 1 3 . 1 1 1 1 MET HB3 H 1 1.6900 0.05 . 1 . . . C 90 MET HB3 . 19817 1 4 . 1 1 1 1 MET HG2 H 1 2.3300 0.05 . 1 . . . C 90 MET HG2 . 19817 1 5 . 1 1 1 1 MET CB C 13 25.9200 0.30 . 1 . . . C 90 MET CB . 19817 1 6 . 1 1 1 1 MET N N 15 122.8500 0.50 . 1 . . . C 90 MET N . 19817 1 7 . 1 1 2 2 GLY CA C 13 45.0000 0.30 . 1 . . . C 91 GLY CA . 19817 1 8 . 1 1 3 3 LYS H H 1 8.6100 0.05 . 1 . . . C 92 LYS H . 19817 1 9 . 1 1 3 3 LYS HA H 1 4.4300 0.05 . 1 . . . C 92 LYS HA . 19817 1 10 . 1 1 3 3 LYS HB2 H 1 1.4800 0.05 . 1 . . . C 92 LYS HB2 . 19817 1 11 . 1 1 3 3 LYS HB3 H 1 1.7800 0.05 . 1 . . . C 92 LYS HB3 . 19817 1 12 . 1 1 3 3 LYS HG3 H 1 2.1000 0.05 . 2 . . . C 92 LYS HG3 . 19817 1 13 . 1 1 3 3 LYS HD2 H 1 1.5900 0.05 . 2 . . . C 92 LYS HD2 . 19817 1 14 . 1 1 3 3 LYS HE2 H 1 3.0100 0.05 . 2 . . . C 92 LYS HE2 . 19817 1 15 . 1 1 3 3 LYS CA C 13 56.0000 0.30 . 1 . . . C 92 LYS CA . 19817 1 16 . 1 1 3 3 LYS CB C 13 33.8000 0.30 . 1 . . . C 92 LYS CB . 19817 1 17 . 1 1 3 3 LYS CG C 13 25.0000 0.30 . 1 . . . C 92 LYS CG . 19817 1 18 . 1 1 3 3 LYS CD C 13 28.8000 0.30 . 1 . . . C 92 LYS CD . 19817 1 19 . 1 1 3 3 LYS CE C 13 42.5000 0.30 . 1 . . . C 92 LYS CE . 19817 1 20 . 1 1 3 3 LYS N N 15 121.1000 0.50 . 1 . . . C 92 LYS N . 19817 1 21 . 1 1 4 4 SER H H 1 8.7600 0.05 . 1 . . . C 93 SER H . 19817 1 22 . 1 1 4 4 SER HA H 1 4.4700 0.05 . 1 . . . C 93 SER HA . 19817 1 23 . 1 1 4 4 SER HB2 H 1 4.2800 0.05 . 1 . . . C 93 SER HB2 . 19817 1 24 . 1 1 4 4 SER HB3 H 1 4.0600 0.05 . 2 . . . C 93 SER HB3 . 19817 1 25 . 1 1 4 4 SER CA C 13 58.1000 0.30 . 1 . . . C 93 SER CA . 19817 1 26 . 1 1 4 4 SER CB C 13 65.0000 0.30 . 1 . . . C 93 SER CB . 19817 1 27 . 1 1 4 4 SER N N 15 117.1900 0.50 . 1 . . . C 93 SER N . 19817 1 28 . 1 1 5 5 GLU H H 1 8.8900 0.05 . 1 . . . C 94 GLU H . 19817 1 29 . 1 1 5 5 GLU HA H 1 4.0000 0.05 . 1 . . . C 94 GLU HA . 19817 1 30 . 1 1 5 5 GLU HB2 H 1 2.0900 0.05 . 2 . . . C 94 GLU HB2 . 19817 1 31 . 1 1 5 5 GLU HG2 H 1 2.4000 0.05 . 2 . . . C 94 GLU HG2 . 19817 1 32 . 1 1 5 5 GLU CA C 13 60.0000 0.30 . 1 . . . C 94 GLU CA . 19817 1 33 . 1 1 5 5 GLU CB C 13 29.1000 0.30 . 1 . . . C 94 GLU CB . 19817 1 34 . 1 1 5 5 GLU CG C 13 36.8000 0.30 . 1 . . . C 94 GLU CG . 19817 1 35 . 1 1 5 5 GLU N N 15 122.3500 0.50 . 1 . . . C 94 GLU N . 19817 1 36 . 1 1 6 6 GLU H H 1 8.6100 0.05 . 1 . . . C 95 GLU H . 19817 1 37 . 1 1 6 6 GLU HA H 1 4.0900 0.05 . 1 . . . C 95 GLU HA . 19817 1 38 . 1 1 6 6 GLU HB2 H 1 2.0400 0.05 . 2 . . . C 95 GLU HB2 . 19817 1 39 . 1 1 6 6 GLU HG2 H 1 2.3500 0.05 . 2 . . . C 95 GLU HG2 . 19817 1 40 . 1 1 6 6 GLU CA C 13 59.7000 0.30 . 1 . . . C 95 GLU CA . 19817 1 41 . 1 1 6 6 GLU CB C 13 29.2000 0.30 . 1 . . . C 95 GLU CB . 19817 1 42 . 1 1 6 6 GLU CG C 13 36.8000 0.30 . 1 . . . C 95 GLU CG . 19817 1 43 . 1 1 6 6 GLU N N 15 119.1600 0.50 . 1 . . . C 95 GLU N . 19817 1 44 . 1 1 7 7 GLU H H 1 7.9300 0.05 . 1 . . . C 96 GLU H . 19817 1 45 . 1 1 7 7 GLU HA H 1 4.2900 0.05 . 1 . . . C 96 GLU HA . 19817 1 46 . 1 1 7 7 GLU HB2 H 1 2.2600 0.05 . 2 . . . C 96 GLU HB2 . 19817 1 47 . 1 1 7 7 GLU HB3 H 1 2.1000 0.05 . 2 . . . C 96 GLU HB3 . 19817 1 48 . 1 1 7 7 GLU HG2 H 1 2.2900 0.05 . 1 . . . C 96 GLU HG2 . 19817 1 49 . 1 1 7 7 GLU HG3 H 1 2.4100 0.05 . 1 . . . C 96 GLU HG3 . 19817 1 50 . 1 1 7 7 GLU CA C 13 59.0000 0.30 . 1 . . . C 96 GLU CA . 19817 1 51 . 1 1 7 7 GLU CB C 13 30.2000 0.30 . 1 . . . C 96 GLU CB . 19817 1 52 . 1 1 7 7 GLU CG C 13 37.1000 0.30 . 1 . . . C 96 GLU CG . 19817 1 53 . 1 1 7 7 GLU N N 15 120.3000 0.50 . 1 . . . C 96 GLU N . 19817 1 54 . 1 1 8 8 LEU H H 1 8.5200 0.05 . 1 . . . C 97 LEU H . 19817 1 55 . 1 1 8 8 LEU HA H 1 4.2700 0.05 . 1 . . . C 97 LEU HA . 19817 1 56 . 1 1 8 8 LEU HB2 H 1 2.1100 0.05 . 2 . . . C 97 LEU HB2 . 19817 1 57 . 1 1 8 8 LEU HB3 H 1 1.5600 0.05 . 2 . . . C 97 LEU HB3 . 19817 1 58 . 1 1 8 8 LEU HG H 1 1.7800 0.05 . 1 . . . C 97 LEU HG . 19817 1 59 . 1 1 8 8 LEU HD11 H 1 0.8500 0.05 . 2 . . . C 97 LEU HD11 . 19817 1 60 . 1 1 8 8 LEU HD12 H 1 0.8500 0.05 . 2 . . . C 97 LEU HD12 . 19817 1 61 . 1 1 8 8 LEU HD13 H 1 0.8500 0.05 . 2 . . . C 97 LEU HD13 . 19817 1 62 . 1 1 8 8 LEU HD21 H 1 0.8200 0.05 . 2 . . . C 97 LEU HD21 . 19817 1 63 . 1 1 8 8 LEU HD22 H 1 0.8200 0.05 . 2 . . . C 97 LEU HD22 . 19817 1 64 . 1 1 8 8 LEU HD23 H 1 0.8200 0.05 . 2 . . . C 97 LEU HD23 . 19817 1 65 . 1 1 8 8 LEU CA C 13 58.5000 0.30 . 1 . . . C 97 LEU CA . 19817 1 66 . 1 1 8 8 LEU CB C 13 41.9000 0.30 . 1 . . . C 97 LEU CB . 19817 1 67 . 1 1 8 8 LEU CG C 13 27.0050 0.30 . 1 . . . C 97 LEU CG . 19817 1 68 . 1 1 8 8 LEU CD1 C 13 23.2000 0.30 . 2 . . . C 97 LEU CD1 . 19817 1 69 . 1 1 8 8 LEU CD2 C 13 26.1000 0.30 . 2 . . . C 97 LEU CD2 . 19817 1 70 . 1 1 8 8 LEU N N 15 119.3400 0.50 . 1 . . . C 97 LEU N . 19817 1 71 . 1 1 9 9 SER H H 1 8.7000 0.05 . 1 . . . C 98 SER H . 19817 1 72 . 1 1 9 9 SER HA H 1 4.2800 0.05 . 1 . . . C 98 SER HA . 19817 1 73 . 1 1 9 9 SER HB2 H 1 4.0900 0.05 . 2 . . . C 98 SER HB2 . 19817 1 74 . 1 1 9 9 SER CA C 13 62.3000 0.30 . 1 . . . C 98 SER CA . 19817 1 75 . 1 1 9 9 SER CB C 13 62.5000 0.30 . 1 . . . C 98 SER CB . 19817 1 76 . 1 1 9 9 SER N N 15 115.8000 0.50 . 1 . . . C 98 SER N . 19817 1 77 . 1 1 10 10 ASP H H 1 7.5100 0.05 . 1 . . . C 99 ASP H . 19817 1 78 . 1 1 10 10 ASP HA H 1 4.7000 0.05 . 1 . . . C 99 ASP HA . 19817 1 79 . 1 1 10 10 ASP HB2 H 1 2.8400 0.05 . 2 . . . C 99 ASP HB2 . 19817 1 80 . 1 1 10 10 ASP CA C 13 58.5000 0.30 . 1 . . . C 99 ASP CA . 19817 1 81 . 1 1 10 10 ASP CB C 13 41.4000 0.30 . 1 . . . C 99 ASP CB . 19817 1 82 . 1 1 10 10 ASP N N 15 121.6000 0.50 . 1 . . . C 99 ASP N . 19817 1 83 . 1 1 11 11 LEU H H 1 8.1700 0.05 . 1 . . . C 100 LEU H . 19817 1 84 . 1 1 11 11 LEU HA H 1 4.1500 0.05 . 1 . . . C 100 LEU HA . 19817 1 85 . 1 1 11 11 LEU HB2 H 1 1.6300 0.05 . 1 . . . C 100 LEU HB2 . 19817 1 86 . 1 1 11 11 LEU HB3 H 1 2.3200 0.05 . 1 . . . C 100 LEU HB3 . 19817 1 87 . 1 1 11 11 LEU HD11 H 1 0.9800 0.05 . 2 . . . C 100 LEU HD11 . 19817 1 88 . 1 1 11 11 LEU HD12 H 1 0.9800 0.05 . 2 . . . C 100 LEU HD12 . 19817 1 89 . 1 1 11 11 LEU HD13 H 1 0.9800 0.05 . 2 . . . C 100 LEU HD13 . 19817 1 90 . 1 1 11 11 LEU HD21 H 1 1.0900 0.05 . 2 . . . C 100 LEU HD21 . 19817 1 91 . 1 1 11 11 LEU HD22 H 1 1.0900 0.05 . 2 . . . C 100 LEU HD22 . 19817 1 92 . 1 1 11 11 LEU HD23 H 1 1.0900 0.05 . 2 . . . C 100 LEU HD23 . 19817 1 93 . 1 1 11 11 LEU CA C 13 58.3000 0.30 . 1 . . . C 100 LEU CA . 19817 1 94 . 1 1 11 11 LEU CB C 13 41.6000 0.30 . 1 . . . C 100 LEU CB . 19817 1 95 . 1 1 11 11 LEU CG C 13 26.5000 0.30 . 1 . . . C 100 LEU CG . 19817 1 96 . 1 1 11 11 LEU CD1 C 13 23.4000 0.30 . 1 . . . C 100 LEU CD1 . 19817 1 97 . 1 1 11 11 LEU CD2 C 13 26.5000 0.30 . 1 . . . C 100 LEU CD2 . 19817 1 98 . 1 1 11 11 LEU N N 15 117.9000 0.50 . 1 . . . C 100 LEU N . 19817 1 99 . 1 1 12 12 PHE H H 1 8.7600 0.05 . 1 . . . C 101 PHE H . 19817 1 100 . 1 1 12 12 PHE HA H 1 4.2700 0.05 . 1 . . . C 101 PHE HA . 19817 1 101 . 1 1 12 12 PHE HB2 H 1 3.1700 0.05 . 2 . . . C 101 PHE HB2 . 19817 1 102 . 1 1 12 12 PHE HB3 H 1 2.8600 0.05 . 2 . . . C 101 PHE HB3 . 19817 1 103 . 1 1 12 12 PHE HD1 H 1 6.3800 0.05 . 3 . . . C 101 PHE HD1 . 19817 1 104 . 1 1 12 12 PHE HE1 H 1 6.8800 0.05 . 3 . . . C 101 PHE HE1 . 19817 1 105 . 1 1 12 12 PHE CA C 13 62.2000 0.30 . 1 . . . C 101 PHE CA . 19817 1 106 . 1 1 12 12 PHE CB C 13 39.2000 0.30 . 1 . . . C 101 PHE CB . 19817 1 107 . 1 1 12 12 PHE N N 15 120.4900 0.50 . 1 . . . C 101 PHE N . 19817 1 108 . 1 1 13 13 ARG H H 1 7.4700 0.05 . 1 . . . C 102 ARG H . 19817 1 109 . 1 1 13 13 ARG HA H 1 3.9700 0.05 . 1 . . . C 102 ARG HA . 19817 1 110 . 1 1 13 13 ARG HB2 H 1 2.0400 0.05 . 2 . . . C 102 ARG HB2 . 19817 1 111 . 1 1 13 13 ARG HB3 H 1 2.1200 0.05 . 2 . . . C 102 ARG HB3 . 19817 1 112 . 1 1 13 13 ARG HG2 H 1 2.0300 0.05 . 2 . . . C 102 ARG HG2 . 19817 1 113 . 1 1 13 13 ARG HG3 H 1 1.6900 0.05 . 2 . . . C 102 ARG HG3 . 19817 1 114 . 1 1 13 13 ARG HD2 H 1 3.3200 0.05 . 2 . . . C 102 ARG HD2 . 19817 1 115 . 1 1 13 13 ARG CA C 13 59.2000 0.30 . 1 . . . C 102 ARG CA . 19817 1 116 . 1 1 13 13 ARG CB C 13 30.4000 0.30 . 1 . . . C 102 ARG CB . 19817 1 117 . 1 1 13 13 ARG CG C 13 28.6000 0.30 . 1 . . . C 102 ARG CG . 19817 1 118 . 1 1 13 13 ARG CD C 13 43.4000 0.30 . 1 . . . C 102 ARG CD . 19817 1 119 . 1 1 13 13 ARG N N 15 115.5200 0.50 . 1 . . . C 102 ARG N . 19817 1 120 . 1 1 14 14 MET H H 1 7.5900 0.05 . 1 . . . C 103 MET H . 19817 1 121 . 1 1 14 14 MET HA H 1 4.3700 0.05 . 1 . . . C 103 MET HA . 19817 1 122 . 1 1 14 14 MET HB2 H 1 2.4000 0.05 . 1 . . . C 103 MET HB2 . 19817 1 123 . 1 1 14 14 MET HB3 H 1 1.8400 0.05 . 1 . . . C 103 MET HB3 . 19817 1 124 . 1 1 14 14 MET HG2 H 1 3.2200 0.05 . 1 . . . C 103 MET HG2 . 19817 1 125 . 1 1 14 14 MET HG3 H 1 2.6600 0.05 . 1 . . . C 103 MET HG3 . 19817 1 126 . 1 1 14 14 MET HE1 H 1 2.0100 0.05 . 1 . . . C 103 MET HE1 . 19817 1 127 . 1 1 14 14 MET HE2 H 1 2.0100 0.05 . 1 . . . C 103 MET HE2 . 19817 1 128 . 1 1 14 14 MET HE3 H 1 2.0100 0.05 . 1 . . . C 103 MET HE3 . 19817 1 129 . 1 1 14 14 MET CA C 13 55.9000 0.30 . 1 . . . C 103 MET CA . 19817 1 130 . 1 1 14 14 MET CB C 13 34.3000 0.30 . 1 . . . C 103 MET CB . 19817 1 131 . 1 1 14 14 MET CG C 13 32.5000 0.30 . 1 . . . C 103 MET CG . 19817 1 132 . 1 1 14 14 MET CE C 13 20.1000 0.30 . 1 . . . C 103 MET CE . 19817 1 133 . 1 1 14 14 MET N N 15 114.1500 0.50 . 1 . . . C 103 MET N . 19817 1 134 . 1 1 15 15 PHE H H 1 7.3800 0.05 . 1 . . . C 104 PHE H . 19817 1 135 . 1 1 15 15 PHE HA H 1 4.2900 0.05 . 1 . . . C 104 PHE HA . 19817 1 136 . 1 1 15 15 PHE HB2 H 1 2.8100 0.05 . 1 . . . C 104 PHE HB2 . 19817 1 137 . 1 1 15 15 PHE HB3 H 1 2.5600 0.05 . 1 . . . C 104 PHE HB3 . 19817 1 138 . 1 1 15 15 PHE HD2 H 1 7.4700 0.05 . 3 . . . C 104 PHE HD2 . 19817 1 139 . 1 1 15 15 PHE HE2 H 1 7.2400 0.05 . 3 . . . C 104 PHE HE2 . 19817 1 140 . 1 1 15 15 PHE HZ H 1 7.1700 0.05 . 1 . . . C 104 PHE HZ . 19817 1 141 . 1 1 15 15 PHE CA C 13 59.4000 0.30 . 1 . . . C 104 PHE CA . 19817 1 142 . 1 1 15 15 PHE CB C 13 41.7000 0.30 . 1 . . . C 104 PHE CB . 19817 1 143 . 1 1 15 15 PHE N N 15 115.0600 0.50 . 1 . . . C 104 PHE N . 19817 1 144 . 1 1 16 16 ASP H H 1 7.2700 0.05 . 1 . . . C 105 ASP H . 19817 1 145 . 1 1 16 16 ASP HA H 1 4.4200 0.05 . 1 . . . C 105 ASP HA . 19817 1 146 . 1 1 16 16 ASP HB2 H 1 2.3500 0.05 . 1 . . . C 105 ASP HB2 . 19817 1 147 . 1 1 16 16 ASP HB3 H 1 1.4700 0.05 . 1 . . . C 105 ASP HB3 . 19817 1 148 . 1 1 16 16 ASP CA C 13 52.4000 0.30 . 1 . . . C 105 ASP CA . 19817 1 149 . 1 1 16 16 ASP CB C 13 39.0000 0.30 . 1 . . . C 105 ASP CB . 19817 1 150 . 1 1 16 16 ASP N N 15 116.7100 0.50 . 1 . . . C 105 ASP N . 19817 1 151 . 1 1 17 17 LYS H H 1 7.5100 0.05 . 1 . . . C 106 LYS H . 19817 1 152 . 1 1 17 17 LYS HA H 1 4.0300 0.05 . 1 . . . C 106 LYS HA . 19817 1 153 . 1 1 17 17 LYS HB2 H 1 1.8900 0.05 . 2 . . . C 106 LYS HB2 . 19817 1 154 . 1 1 17 17 LYS HG2 H 1 1.6400 0.05 . 2 . . . C 106 LYS HG2 . 19817 1 155 . 1 1 17 17 LYS HD2 H 1 1.6700 0.05 . 2 . . . C 106 LYS HD2 . 19817 1 156 . 1 1 17 17 LYS HE2 H 1 3.0400 0.05 . 2 . . . C 106 LYS HE2 . 19817 1 157 . 1 1 17 17 LYS CA C 13 58.2000 0.30 . 1 . . . C 106 LYS CA . 19817 1 158 . 1 1 17 17 LYS CB C 13 32.9000 0.30 . 1 . . . C 106 LYS CB . 19817 1 159 . 1 1 17 17 LYS CG C 13 24.9000 0.30 . 1 . . . C 106 LYS CG . 19817 1 160 . 1 1 17 17 LYS CD C 13 28.2000 0.30 . 1 . . . C 106 LYS CD . 19817 1 161 . 1 1 17 17 LYS CE C 13 42.7000 0.30 . 1 . . . C 106 LYS CE . 19817 1 162 . 1 1 17 17 LYS N N 15 124.2700 0.50 . 1 . . . C 106 LYS N . 19817 1 163 . 1 1 18 18 ASN H H 1 8.0000 0.05 . 1 . . . C 107 ASN H . 19817 1 164 . 1 1 18 18 ASN HA H 1 4.7300 0.05 . 1 . . . C 107 ASN HA . 19817 1 165 . 1 1 18 18 ASN HB2 H 1 3.2900 0.05 . 1 . . . C 107 ASN HB2 . 19817 1 166 . 1 1 18 18 ASN HB3 H 1 2.8600 0.05 . 1 . . . C 107 ASN HB3 . 19817 1 167 . 1 1 18 18 ASN HD21 H 1 7.8580 0.05 . 2 . . . C 107 ASN HD21 . 19817 1 168 . 1 1 18 18 ASN HD22 H 1 6.6910 0.05 . 2 . . . C 107 ASN HD22 . 19817 1 169 . 1 1 18 18 ASN CA C 13 51.7000 0.30 . 1 . . . C 107 ASN CA . 19817 1 170 . 1 1 18 18 ASN CB C 13 36.9000 0.30 . 1 . . . C 107 ASN CB . 19817 1 171 . 1 1 18 18 ASN N N 15 113.6000 0.50 . 1 . . . C 107 ASN N . 19817 1 172 . 1 1 18 18 ASN ND2 N 15 112.4800 0.50 . 1 . . . C 107 ASN ND2 . 19817 1 173 . 1 1 19 19 ALA H H 1 7.8100 0.05 . 1 . . . C 108 ALA H . 19817 1 174 . 1 1 19 19 ALA HA H 1 4.0700 0.05 . 1 . . . C 108 ALA HA . 19817 1 175 . 1 1 19 19 ALA HB1 H 1 1.3800 0.05 . 1 . . . C 108 ALA HB1 . 19817 1 176 . 1 1 19 19 ALA HB2 H 1 1.3800 0.05 . 1 . . . C 108 ALA HB2 . 19817 1 177 . 1 1 19 19 ALA HB3 H 1 1.3800 0.05 . 1 . . . C 108 ALA HB3 . 19817 1 178 . 1 1 19 19 ALA CA C 13 53.3000 0.30 . 1 . . . C 108 ALA CA . 19817 1 179 . 1 1 19 19 ALA CB C 13 17.1000 0.30 . 1 . . . C 108 ALA CB . 19817 1 180 . 1 1 19 19 ALA N N 15 121.6000 0.50 . 1 . . . C 108 ALA N . 19817 1 181 . 1 1 20 20 ASP H H 1 8.5200 0.05 . 1 . . . C 109 ASP H . 19817 1 182 . 1 1 20 20 ASP HA H 1 4.7000 0.05 . 1 . . . C 109 ASP HA . 19817 1 183 . 1 1 20 20 ASP HB2 H 1 3.2000 0.05 . 1 . . . C 109 ASP HB2 . 19817 1 184 . 1 1 20 20 ASP HB3 H 1 2.4500 0.05 . 1 . . . C 109 ASP HB3 . 19817 1 185 . 1 1 20 20 ASP CA C 13 53.2000 0.30 . 1 . . . C 109 ASP CA . 19817 1 186 . 1 1 20 20 ASP CB C 13 41.0000 0.30 . 1 . . . C 109 ASP CB . 19817 1 187 . 1 1 20 20 ASP N N 15 118.4800 0.50 . 1 . . . C 109 ASP N . 19817 1 188 . 1 1 21 21 GLY H H 1 10.4000 0.05 . 1 . . . C 110 GLY H . 19817 1 189 . 1 1 21 21 GLY HA2 H 1 4.0600 0.05 . 1 . . . C 110 GLY HA2 . 19817 1 190 . 1 1 21 21 GLY HA3 H 1 3.4400 0.05 . 1 . . . C 110 GLY HA3 . 19817 1 191 . 1 1 21 21 GLY CA C 13 45.0000 0.30 . 1 . . . C 110 GLY CA . 19817 1 192 . 1 1 21 21 GLY N N 15 112.2500 0.50 . 1 . . . C 110 GLY N . 19817 1 193 . 1 1 22 22 TYR H H 1 8.0000 0.05 . 1 . . . C 111 TYR H . 19817 1 194 . 1 1 22 22 TYR HA H 1 5.1700 0.05 . 1 . . . C 111 TYR HA . 19817 1 195 . 1 1 22 22 TYR HB2 H 1 2.7300 0.05 . 2 . . . C 111 TYR HB2 . 19817 1 196 . 1 1 22 22 TYR HB3 H 1 2.5700 0.05 . 2 . . . C 111 TYR HB3 . 19817 1 197 . 1 1 22 22 TYR HD1 H 1 6.7000 0.05 . 3 . . . C 111 TYR HD1 . 19817 1 198 . 1 1 22 22 TYR HE1 H 1 6.8200 0.05 . 3 . . . C 111 TYR HE1 . 19817 1 199 . 1 1 22 22 TYR CA C 13 56.1000 0.30 . 1 . . . C 111 TYR CA . 19817 1 200 . 1 1 22 22 TYR CB C 13 43.1000 0.30 . 1 . . . C 111 TYR CB . 19817 1 201 . 1 1 22 22 TYR N N 15 115.5900 0.50 . 1 . . . C 111 TYR N . 19817 1 202 . 1 1 23 23 ILE H H 1 9.8300 0.05 . 1 . . . C 112 ILE H . 19817 1 203 . 1 1 23 23 ILE HA H 1 4.7600 0.05 . 1 . . . C 112 ILE HA . 19817 1 204 . 1 1 23 23 ILE HB H 1 1.9000 0.05 . 1 . . . C 112 ILE HB . 19817 1 205 . 1 1 23 23 ILE HG12 H 1 1.3200 0.05 . 1 . . . C 112 ILE HG12 . 19817 1 206 . 1 1 23 23 ILE HG13 H 1 0.1800 0.05 . 1 . . . C 112 ILE HG13 . 19817 1 207 . 1 1 23 23 ILE HG21 H 1 0.9500 0.05 . 1 . . . C 112 ILE HG21 . 19817 1 208 . 1 1 23 23 ILE HG22 H 1 0.9500 0.05 . 1 . . . C 112 ILE HG22 . 19817 1 209 . 1 1 23 23 ILE HG23 H 1 0.9500 0.05 . 1 . . . C 112 ILE HG23 . 19817 1 210 . 1 1 23 23 ILE HD11 H 1 0.2500 0.05 . 1 . . . C 112 ILE HD11 . 19817 1 211 . 1 1 23 23 ILE HD12 H 1 0.2500 0.05 . 1 . . . C 112 ILE HD12 . 19817 1 212 . 1 1 23 23 ILE HD13 H 1 0.2500 0.05 . 1 . . . C 112 ILE HD13 . 19817 1 213 . 1 1 23 23 ILE CA C 13 60.6000 0.30 . 1 . . . C 112 ILE CA . 19817 1 214 . 1 1 23 23 ILE CB C 13 39.0000 0.30 . 1 . . . C 112 ILE CB . 19817 1 215 . 1 1 23 23 ILE CG1 C 13 26.8000 0.30 . 1 . . . C 112 ILE CG1 . 19817 1 216 . 1 1 23 23 ILE CG2 C 13 17.3000 0.30 . 1 . . . C 112 ILE CG2 . 19817 1 217 . 1 1 23 23 ILE CD1 C 13 15.3000 0.30 . 1 . . . C 112 ILE CD1 . 19817 1 218 . 1 1 23 23 ILE N N 15 125.5600 0.50 . 1 . . . C 112 ILE N . 19817 1 219 . 1 1 24 24 ASP H H 1 9.0300 0.05 . 1 . . . C 113 ASP H . 19817 1 220 . 1 1 24 24 ASP HA H 1 4.9600 0.05 . 1 . . . C 113 ASP HA . 19817 1 221 . 1 1 24 24 ASP HB2 H 1 3.3600 0.05 . 2 . . . C 113 ASP HB2 . 19817 1 222 . 1 1 24 24 ASP HB3 H 1 2.4600 0.05 . 2 . . . C 113 ASP HB3 . 19817 1 223 . 1 1 24 24 ASP CA C 13 52.0000 0.30 . 1 . . . C 113 ASP CA . 19817 1 224 . 1 1 24 24 ASP CB C 13 42.2000 0.30 . 1 . . . C 113 ASP CB . 19817 1 225 . 1 1 24 24 ASP N N 15 128.3500 0.50 . 1 . . . C 113 ASP N . 19817 1 226 . 1 1 25 25 LEU H H 1 8.5300 0.05 . 1 . . . C 114 LEU H . 19817 1 227 . 1 1 25 25 LEU HA H 1 3.9800 0.05 . 1 . . . C 114 LEU HA . 19817 1 228 . 1 1 25 25 LEU HB2 H 1 1.7200 0.05 . 2 . . . C 114 LEU HB2 . 19817 1 229 . 1 1 25 25 LEU HG H 1 1.6700 0.05 . 1 . . . C 114 LEU HG . 19817 1 230 . 1 1 25 25 LEU HD21 H 1 0.9500 0.05 . 2 . . . C 114 LEU HD21 . 19817 1 231 . 1 1 25 25 LEU HD22 H 1 0.9500 0.05 . 2 . . . C 114 LEU HD22 . 19817 1 232 . 1 1 25 25 LEU HD23 H 1 0.9500 0.05 . 2 . . . C 114 LEU HD23 . 19817 1 233 . 1 1 25 25 LEU CA C 13 58.8000 0.30 . 1 . . . C 114 LEU CA . 19817 1 234 . 1 1 25 25 LEU CB C 13 42.6000 0.30 . 1 . . . C 114 LEU CB . 19817 1 235 . 1 1 25 25 LEU CG C 13 27.4000 0.30 . 1 . . . C 114 LEU CG . 19817 1 236 . 1 1 25 25 LEU CD2 C 13 25.4000 0.30 . 1 . . . C 114 LEU CD2 . 19817 1 237 . 1 1 25 25 LEU N N 15 118.3000 0.50 . 1 . . . C 114 LEU N . 19817 1 238 . 1 1 26 26 ASP H H 1 7.9200 0.05 . 1 . . . C 115 ASP H . 19817 1 239 . 1 1 26 26 ASP HA H 1 4.3700 0.05 . 1 . . . C 115 ASP HA . 19817 1 240 . 1 1 26 26 ASP HB2 H 1 2.8100 0.05 . 1 . . . C 115 ASP HB2 . 19817 1 241 . 1 1 26 26 ASP HB3 H 1 2.6400 0.05 . 1 . . . C 115 ASP HB3 . 19817 1 242 . 1 1 26 26 ASP CA C 13 58.0000 0.30 . 1 . . . C 115 ASP CA . 19817 1 243 . 1 1 26 26 ASP CB C 13 40.6400 0.30 . 1 . . . C 115 ASP CB . 19817 1 244 . 1 1 26 26 ASP N N 15 118.3000 0.50 . 1 . . . C 115 ASP N . 19817 1 245 . 1 1 27 27 GLU H H 1 8.6700 0.05 . 1 . . . C 116 GLU H . 19817 1 246 . 1 1 27 27 GLU HA H 1 4.6300 0.05 . 1 . . . C 116 GLU HA . 19817 1 247 . 1 1 27 27 GLU HB3 H 1 2.3800 0.05 . 2 . . . C 116 GLU HB3 . 19817 1 248 . 1 1 27 27 GLU HG2 H 1 2.1800 0.05 . 2 . . . C 116 GLU HG2 . 19817 1 249 . 1 1 27 27 GLU HG3 H 1 2.1800 0.05 . 2 . . . C 116 GLU HG3 . 19817 1 250 . 1 1 27 27 GLU CA C 13 58.5000 0.30 . 1 . . . C 116 GLU CA . 19817 1 251 . 1 1 27 27 GLU CB C 13 29.4000 0.30 . 1 . . . C 116 GLU CB . 19817 1 252 . 1 1 27 27 GLU CG C 13 37.7960 0.30 . 1 . . . C 116 GLU CG . 19817 1 253 . 1 1 27 27 GLU N N 15 121.4000 0.50 . 1 . . . C 116 GLU N . 19817 1 254 . 1 1 28 28 LEU H H 1 8.6700 0.05 . 1 . . . C 117 LEU H . 19817 1 255 . 1 1 28 28 LEU HA H 1 3.9900 0.05 . 1 . . . C 117 LEU HA . 19817 1 256 . 1 1 28 28 LEU HB2 H 1 1.6900 0.05 . 2 . . . C 117 LEU HB2 . 19817 1 257 . 1 1 28 28 LEU HG H 1 1.5100 0.05 . 1 . . . C 117 LEU HG . 19817 1 258 . 1 1 28 28 LEU HD11 H 1 0.7680 0.05 . 2 . . . C 117 LEU HD11 . 19817 1 259 . 1 1 28 28 LEU HD12 H 1 0.7680 0.05 . 2 . . . C 117 LEU HD12 . 19817 1 260 . 1 1 28 28 LEU HD13 H 1 0.7680 0.05 . 2 . . . C 117 LEU HD13 . 19817 1 261 . 1 1 28 28 LEU HD21 H 1 0.7300 0.05 . 2 . . . C 117 LEU HD21 . 19817 1 262 . 1 1 28 28 LEU HD22 H 1 0.7300 0.05 . 2 . . . C 117 LEU HD22 . 19817 1 263 . 1 1 28 28 LEU HD23 H 1 0.7300 0.05 . 2 . . . C 117 LEU HD23 . 19817 1 264 . 1 1 28 28 LEU CA C 13 58.4600 0.30 . 1 . . . C 117 LEU CA . 19817 1 265 . 1 1 28 28 LEU CB C 13 42.0500 0.30 . 1 . . . C 117 LEU CB . 19817 1 266 . 1 1 28 28 LEU CG C 13 26.2500 0.30 . 1 . . . C 117 LEU CG . 19817 1 267 . 1 1 28 28 LEU CD1 C 13 26.4380 0.30 . 1 . . . C 117 LEU CD1 . 19817 1 268 . 1 1 28 28 LEU CD2 C 13 23.1500 0.30 . 2 . . . C 117 LEU CD2 . 19817 1 269 . 1 1 28 28 LEU N N 15 121.2000 0.50 . 1 . . . C 117 LEU N . 19817 1 270 . 1 1 29 29 LYS H H 1 8.6100 0.05 . 1 . . . C 118 LYS H . 19817 1 271 . 1 1 29 29 LYS HA H 1 3.8200 0.05 . 1 . . . C 118 LYS HA . 19817 1 272 . 1 1 29 29 LYS HB2 H 1 1.7400 0.05 . 2 . . . C 118 LYS HB2 . 19817 1 273 . 1 1 29 29 LYS HG2 H 1 1.3200 0.05 . 2 . . . C 118 LYS HG2 . 19817 1 274 . 1 1 29 29 LYS HB3 H 1 2.0500 0.05 . 2 . . . C 118 LYS HE2 . 19817 1 275 . 1 1 29 29 LYS HD2 H 1 1.6200 0.05 . 2 . . . C 118 LYS HE2 . 19817 1 276 . 1 1 29 29 LYS HE2 H 1 2.8900 0.05 . 2 . . . C 118 LYS HE2 . 19817 1 277 . 1 1 29 29 LYS CA C 13 61.3000 0.30 . 1 . . . C 118 LYS CA . 19817 1 278 . 1 1 29 29 LYS CB C 13 32.5000 0.30 . 1 . . . C 118 LYS CB . 19817 1 279 . 1 1 29 29 LYS CG C 13 25.9000 0.30 . 1 . . . C 118 LYS CG . 19817 1 280 . 1 1 29 29 LYS CD C 13 29.8000 0.30 . 1 . . . C 118 LYS CD . 19817 1 281 . 1 1 29 29 LYS CE C 13 41.4000 0.30 . 1 . . . C 118 LYS CE . 19817 1 282 . 1 1 29 29 LYS N N 15 118.8000 0.50 . 1 . . . C 118 LYS N . 19817 1 283 . 1 1 30 30 ILE H H 1 8.1800 0.05 . 1 . . . C 119 ILE H . 19817 1 284 . 1 1 30 30 ILE HA H 1 3.8100 0.05 . 1 . . . C 119 ILE HA . 19817 1 285 . 1 1 30 30 ILE HB H 1 1.9500 0.05 . 1 . . . C 119 ILE HB . 19817 1 286 . 1 1 30 30 ILE HG12 H 1 1.7500 0.05 . 1 . . . C 119 ILE HG12 . 19817 1 287 . 1 1 30 30 ILE HG13 H 1 1.2400 0.05 . 1 . . . C 119 ILE HG13 . 19817 1 288 . 1 1 30 30 ILE HG21 H 1 0.9400 0.05 . 1 . . . C 119 ILE HG21 . 19817 1 289 . 1 1 30 30 ILE HG22 H 1 0.9400 0.05 . 1 . . . C 119 ILE HG22 . 19817 1 290 . 1 1 30 30 ILE HG23 H 1 0.9400 0.05 . 1 . . . C 119 ILE HG23 . 19817 1 291 . 1 1 30 30 ILE HD11 H 1 0.9200 0.05 . 1 . . . C 119 ILE HD11 . 19817 1 292 . 1 1 30 30 ILE HD12 H 1 0.9200 0.05 . 1 . . . C 119 ILE HD12 . 19817 1 293 . 1 1 30 30 ILE HD13 H 1 0.9200 0.05 . 1 . . . C 119 ILE HD13 . 19817 1 294 . 1 1 30 30 ILE CA C 13 65.1000 0.30 . 1 . . . C 119 ILE CA . 19817 1 295 . 1 1 30 30 ILE CB C 13 38.2000 0.30 . 1 . . . C 119 ILE CB . 19817 1 296 . 1 1 30 30 ILE CG1 C 13 29.4000 0.30 . 1 . . . C 119 ILE CG1 . 19817 1 297 . 1 1 30 30 ILE CG2 C 13 17.4000 0.30 . 1 . . . C 119 ILE CG2 . 19817 1 298 . 1 1 30 30 ILE CD1 C 13 13.3000 0.30 . 1 . . . C 119 ILE CD1 . 19817 1 299 . 1 1 30 30 ILE N N 15 119.4000 0.50 . 1 . . . C 119 ILE N . 19817 1 300 . 1 1 31 31 MET H H 1 7.5000 0.05 . 1 . . . C 120 MET H . 19817 1 301 . 1 1 31 31 MET HA H 1 3.3600 0.05 . 1 . . . C 120 MET HA . 19817 1 302 . 1 1 31 31 MET HB2 H 1 2.0400 0.05 . 1 . . . C 120 MET HB2 . 19817 1 303 . 1 1 31 31 MET HB3 H 1 1.7100 0.05 . 1 . . . C 120 MET HB3 . 19817 1 304 . 1 1 31 31 MET HG2 H 1 2.4800 0.05 . 1 . . . C 120 MET HG2 . 19817 1 305 . 1 1 31 31 MET HG3 H 1 2.4800 0.05 . 1 . . . C 120 MET HG3 . 19817 1 306 . 1 1 31 31 MET HE1 H 1 1.0600 0.05 . 1 . . . C 120 MET HE1 . 19817 1 307 . 1 1 31 31 MET HE2 H 1 1.0600 0.05 . 1 . . . C 120 MET HE2 . 19817 1 308 . 1 1 31 31 MET HE3 H 1 1.0600 0.05 . 1 . . . C 120 MET HE3 . 19817 1 309 . 1 1 31 31 MET CA C 13 57.1000 0.30 . 1 . . . C 120 MET CA . 19817 1 310 . 1 1 31 31 MET CB C 13 31.6000 0.30 . 1 . . . C 120 MET CB . 19817 1 311 . 1 1 31 31 MET CG C 13 32.3000 0.30 . 1 . . . C 120 MET CG . 19817 1 312 . 1 1 31 31 MET CE C 13 15.5000 0.30 . 1 . . . C 120 MET CE . 19817 1 313 . 1 1 31 31 MET N N 15 119.3400 0.50 . 1 . . . C 120 MET N . 19817 1 314 . 1 1 32 32 LEU H H 1 8.5200 0.05 . 1 . . . C 121 LEU H . 19817 1 315 . 1 1 32 32 LEU HA H 1 4.0300 0.05 . 1 . . . C 121 LEU HA . 19817 1 316 . 1 1 32 32 LEU HB2 H 1 2.0800 0.05 . 1 . . . C 121 LEU HB2 . 19817 1 317 . 1 1 32 32 LEU HB3 H 1 1.4400 0.05 . 1 . . . C 121 LEU HB3 . 19817 1 318 . 1 1 32 32 LEU HG H 1 1.8800 0.05 . 1 . . . C 121 LEU HG . 19817 1 319 . 1 1 32 32 LEU HD11 H 1 0.9000 0.05 . 2 . . . C 121 LEU HD11 . 19817 1 320 . 1 1 32 32 LEU HD12 H 1 0.9000 0.05 . 2 . . . C 121 LEU HD12 . 19817 1 321 . 1 1 32 32 LEU HD13 H 1 0.9000 0.05 . 2 . . . C 121 LEU HD13 . 19817 1 322 . 1 1 32 32 LEU HD21 H 1 0.9000 0.05 . 2 . . . C 121 LEU HD21 . 19817 1 323 . 1 1 32 32 LEU HD22 H 1 0.9000 0.05 . 2 . . . C 121 LEU HD22 . 19817 1 324 . 1 1 32 32 LEU HD23 H 1 0.9000 0.05 . 2 . . . C 121 LEU HD23 . 19817 1 325 . 1 1 32 32 LEU CA C 13 57.6000 0.30 . 1 . . . C 121 LEU CA . 19817 1 326 . 1 1 32 32 LEU CB C 13 41.7000 0.30 . 1 . . . C 121 LEU CB . 19817 1 327 . 1 1 32 32 LEU CG C 13 27.3000 0.30 . 1 . . . C 121 LEU CG . 19817 1 328 . 1 1 32 32 LEU CD1 C 13 26.8000 0.30 . 1 . . . C 121 LEU CD1 . 19817 1 329 . 1 1 32 32 LEU CD2 C 13 23.8000 0.30 . 1 . . . C 121 LEU CD2 . 19817 1 330 . 1 1 32 32 LEU N N 15 117.9200 0.50 . 1 . . . C 121 LEU N . 19817 1 331 . 1 1 33 33 GLN H H 1 8.8100 0.05 . 1 . . . C 122 GLN H . 19817 1 332 . 1 1 33 33 GLN HA H 1 4.1100 0.05 . 1 . . . C 122 GLN HA . 19817 1 333 . 1 1 33 33 GLN HB2 H 1 2.1900 0.05 . 2 . . . C 122 GLN HB2 . 19817 1 334 . 1 1 33 33 GLN HB3 H 1 2.2600 0.05 . 2 . . . C 122 GLN HB3 . 19817 1 335 . 1 1 33 33 GLN HG2 H 1 2.5800 0.05 . 2 . . . C 122 GLN HG2 . 19817 1 336 . 1 1 33 33 GLN HG3 H 1 2.4400 0.05 . 2 . . . C 122 GLN HG3 . 19817 1 337 . 1 1 33 33 GLN CA C 13 58.8000 0.30 . 1 . . . C 122 GLN CA . 19817 1 338 . 1 1 33 33 GLN CB C 13 28.0000 0.30 . 1 . . . C 122 GLN CB . 19817 1 339 . 1 1 33 33 GLN CG C 13 34.4000 0.30 . 1 . . . C 122 GLN CG . 19817 1 340 . 1 1 33 33 GLN N N 15 120.7800 0.50 . 1 . . . C 122 GLN N . 19817 1 341 . 1 1 33 33 GLN NE2 N 15 110.4940 0.50 . 1 . . . C 122 GLN NE2 . 19817 1 342 . 1 1 34 34 ALA H H 1 7.5800 0.05 . 1 . . . C 123 ALA H . 19817 1 343 . 1 1 34 34 ALA HA H 1 4.3000 0.05 . 1 . . . C 123 ALA HA . 19817 1 344 . 1 1 34 34 ALA HB1 H 1 1.6000 0.05 . 1 . . . C 123 ALA HB1 . 19817 1 345 . 1 1 34 34 ALA HB2 H 1 1.6000 0.05 . 1 . . . C 123 ALA HB2 . 19817 1 346 . 1 1 34 34 ALA HB3 H 1 1.6000 0.05 . 1 . . . C 123 ALA HB3 . 19817 1 347 . 1 1 34 34 ALA CA C 13 53.6000 0.30 . 1 . . . C 123 ALA CA . 19817 1 348 . 1 1 34 34 ALA CB C 13 18.5000 0.30 . 1 . . . C 123 ALA CB . 19817 1 349 . 1 1 34 34 ALA N N 15 121.2200 0.50 . 1 . . . C 123 ALA N . 19817 1 350 . 1 1 35 35 THR H H 1 7.4900 0.05 . 1 . . . C 124 THR H . 19817 1 351 . 1 1 35 35 THR HA H 1 4.0500 0.05 . 1 . . . C 124 THR HA . 19817 1 352 . 1 1 35 35 THR HB H 1 4.3300 0.05 . 1 . . . C 124 THR HB . 19817 1 353 . 1 1 35 35 THR HG21 H 1 1.4400 0.05 . 1 . . . C 124 THR HG21 . 19817 1 354 . 1 1 35 35 THR HG22 H 1 1.4400 0.05 . 1 . . . C 124 THR HG22 . 19817 1 355 . 1 1 35 35 THR HG23 H 1 1.4400 0.05 . 1 . . . C 124 THR HG23 . 19817 1 356 . 1 1 35 35 THR CA C 13 64.2000 0.30 . 1 . . . C 124 THR CA . 19817 1 357 . 1 1 35 35 THR CB C 13 71.3000 0.30 . 1 . . . C 124 THR CB . 19817 1 358 . 1 1 35 35 THR CG2 C 13 21.5000 0.30 . 1 . . . C 124 THR CG2 . 19817 1 359 . 1 1 35 35 THR N N 15 106.7200 0.50 . 1 . . . C 124 THR N . 19817 1 360 . 1 1 36 36 GLY H H 1 7.6800 0.05 . 1 . . . C 125 GLY H . 19817 1 361 . 1 1 36 36 GLY HA2 H 1 4.2600 0.05 . 1 . . . C 125 GLY HA2 . 19817 1 362 . 1 1 36 36 GLY HA3 H 1 3.8000 0.05 . 1 . . . C 125 GLY HA3 . 19817 1 363 . 1 1 36 36 GLY CA C 13 45.6000 0.30 . 1 . . . C 125 GLY CA . 19817 1 364 . 1 1 36 36 GLY N N 15 108.3500 0.50 . 1 . . . C 125 GLY N . 19817 1 365 . 1 1 37 37 GLU H H 1 7.5000 0.05 . 1 . . . C 126 GLU H . 19817 1 366 . 1 1 37 37 GLU HA H 1 4.2800 0.05 . 1 . . . C 126 GLU HA . 19817 1 367 . 1 1 37 37 GLU HB2 H 1 1.8800 0.05 . 1 . . . C 126 GLU HB2 . 19817 1 368 . 1 1 37 37 GLU HB3 H 1 1.6900 0.05 . 1 . . . C 126 GLU HB3 . 19817 1 369 . 1 1 37 37 GLU HG2 H 1 2.0400 0.05 . 1 . . . C 126 GLU HG2 . 19817 1 370 . 1 1 37 37 GLU HG3 H 1 2.1200 0.05 . 1 . . . C 126 GLU HG3 . 19817 1 371 . 1 1 37 37 GLU CA C 13 55.2000 0.30 . 1 . . . C 126 GLU CA . 19817 1 372 . 1 1 37 37 GLU CB C 13 31.0000 0.30 . 1 . . . C 126 GLU CB . 19817 1 373 . 1 1 37 37 GLU CG C 13 36.6000 0.30 . 1 . . . C 126 GLU CG . 19817 1 374 . 1 1 37 37 GLU N N 15 120.1000 0.50 . 1 . . . C 126 GLU N . 19817 1 375 . 1 1 38 38 THR H H 1 8.6500 0.05 . 1 . . . C 127 THR H . 19817 1 376 . 1 1 38 38 THR HA H 1 4.1700 0.05 . 1 . . . C 127 THR HA . 19817 1 377 . 1 1 38 38 THR HB H 1 4.0800 0.05 . 1 . . . C 127 THR HB . 19817 1 378 . 1 1 38 38 THR HG21 H 1 1.1600 0.05 . 1 . . . C 127 THR HG21 . 19817 1 379 . 1 1 38 38 THR HG22 H 1 1.1600 0.05 . 1 . . . C 127 THR HG22 . 19817 1 380 . 1 1 38 38 THR HG23 H 1 1.1600 0.05 . 1 . . . C 127 THR HG23 . 19817 1 381 . 1 1 38 38 THR CA C 13 63.7000 0.30 . 1 . . . C 127 THR CA . 19817 1 382 . 1 1 38 38 THR CB C 13 68.8000 0.30 . 1 . . . C 127 THR CB . 19817 1 383 . 1 1 38 38 THR CG2 C 13 21.7000 0.30 . 1 . . . C 127 THR CG2 . 19817 1 384 . 1 1 38 38 THR N N 15 119.8300 0.50 . 1 . . . C 127 THR N . 19817 1 385 . 1 1 39 39 ILE H H 1 8.3700 0.05 . 1 . . . C 128 ILE H . 19817 1 386 . 1 1 39 39 ILE HA H 1 4.6400 0.05 . 1 . . . C 128 ILE HA . 19817 1 387 . 1 1 39 39 ILE HB H 1 2.0600 0.05 . 1 . . . C 128 ILE HB . 19817 1 388 . 1 1 39 39 ILE HG13 H 1 1.5900 0.05 . 1 . . . C 128 ILE HG13 . 19817 1 389 . 1 1 39 39 ILE HG21 H 1 0.9500 0.05 . 1 . . . C 128 ILE HG21 . 19817 1 390 . 1 1 39 39 ILE HG22 H 1 0.9500 0.05 . 1 . . . C 128 ILE HG22 . 19817 1 391 . 1 1 39 39 ILE HG23 H 1 0.9500 0.05 . 1 . . . C 128 ILE HG23 . 19817 1 392 . 1 1 39 39 ILE HD11 H 1 0.6100 0.05 . 1 . . . C 128 ILE HD11 . 19817 1 393 . 1 1 39 39 ILE HD12 H 1 0.6100 0.05 . 1 . . . C 128 ILE HD12 . 19817 1 394 . 1 1 39 39 ILE HD13 H 1 0.6100 0.05 . 1 . . . C 128 ILE HD13 . 19817 1 395 . 1 1 39 39 ILE CA C 13 57.7000 0.30 . 1 . . . C 128 ILE CA . 19817 1 396 . 1 1 39 39 ILE CB C 13 38.2000 0.30 . 1 . . . C 128 ILE CB . 19817 1 397 . 1 1 39 39 ILE CG1 C 13 25.5000 0.30 . 1 . . . C 128 ILE CG1 . 19817 1 398 . 1 1 39 39 ILE CG2 C 13 18.5000 0.30 . 1 . . . C 128 ILE CG2 . 19817 1 399 . 1 1 39 39 ILE CD1 C 13 11.3000 0.30 . 1 . . . C 128 ILE CD1 . 19817 1 400 . 1 1 39 39 ILE N N 15 128.6300 0.50 . 1 . . . C 128 ILE N . 19817 1 401 . 1 1 40 40 THR H H 1 9.6800 0.05 . 1 . . . C 129 THR H . 19817 1 402 . 1 1 40 40 THR HA H 1 4.7500 0.05 . 1 . . . C 129 THR HA . 19817 1 403 . 1 1 40 40 THR HB H 1 4.7000 0.05 . 1 . . . C 129 THR HB . 19817 1 404 . 1 1 40 40 THR HG21 H 1 1.2500 0.05 . 1 . . . C 129 THR HG21 . 19817 1 405 . 1 1 40 40 THR HG22 H 1 1.2500 0.05 . 1 . . . C 129 THR HG22 . 19817 1 406 . 1 1 40 40 THR HG23 H 1 1.2500 0.05 . 1 . . . C 129 THR HG23 . 19817 1 407 . 1 1 40 40 THR CA C 13 59.7000 0.30 . 1 . . . C 129 THR CA . 19817 1 408 . 1 1 40 40 THR CB C 13 72.3000 0.30 . 1 . . . C 129 THR CB . 19817 1 409 . 1 1 40 40 THR CG2 C 13 21.5000 0.30 . 1 . . . C 129 THR CG2 . 19817 1 410 . 1 1 40 40 THR N N 15 119.8300 0.50 . 1 . . . C 129 THR N . 19817 1 411 . 1 1 41 41 GLU H H 1 8.9200 0.05 . 1 . . . C 130 GLU H . 19817 1 412 . 1 1 41 41 GLU HA H 1 4.0300 0.05 . 1 . . . C 130 GLU HA . 19817 1 413 . 1 1 41 41 GLU HB2 H 1 2.5400 0.05 . 2 . . . C 130 GLU HB2 . 19817 1 414 . 1 1 41 41 GLU HG2 H 1 2.3500 0.05 . 2 . . . C 130 GLU HG2 . 19817 1 415 . 1 1 41 41 GLU CA C 13 59.8000 0.30 . 1 . . . C 130 GLU CA . 19817 1 416 . 1 1 41 41 GLU CB C 13 29.1000 0.30 . 1 . . . C 130 GLU CB . 19817 1 417 . 1 1 41 41 GLU CG C 13 36.5000 0.30 . 1 . . . C 130 GLU CG . 19817 1 418 . 1 1 41 41 GLU N N 15 119.7600 0.50 . 1 . . . C 130 GLU N . 19817 1 419 . 1 1 42 42 ASP H H 1 7.8300 0.05 . 1 . . . C 131 ASP H . 19817 1 420 . 1 1 42 42 ASP HA H 1 4.3800 0.05 . 1 . . . C 131 ASP HA . 19817 1 421 . 1 1 42 42 ASP HB3 H 1 2.4800 0.05 . 2 . . . C 131 ASP HB3 . 19817 1 422 . 1 1 42 42 ASP CA C 13 57.3000 0.30 . 1 . . . C 131 ASP CA . 19817 1 423 . 1 1 42 42 ASP CB C 13 40.8000 0.30 . 1 . . . C 131 ASP CB . 19817 1 424 . 1 1 42 42 ASP N N 15 117.7500 0.50 . 1 . . . C 131 ASP N . 19817 1 425 . 1 1 43 43 ASP H H 1 7.5700 0.05 . 1 . . . C 132 ASP H . 19817 1 426 . 1 1 43 43 ASP HA H 1 4.2200 0.05 . 1 . . . C 132 ASP HA . 19817 1 427 . 1 1 43 43 ASP HB2 H 1 3.2400 0.05 . 1 . . . C 132 ASP HB2 . 19817 1 428 . 1 1 43 43 ASP HB3 H 1 2.3100 0.05 . 1 . . . C 132 ASP HB3 . 19817 1 429 . 1 1 43 43 ASP CA C 13 58.2000 0.30 . 1 . . . C 132 ASP CA . 19817 1 430 . 1 1 43 43 ASP CB C 13 42.1000 0.30 . 1 . . . C 132 ASP CB . 19817 1 431 . 1 1 43 43 ASP N N 15 119.8800 0.50 . 1 . . . C 132 ASP N . 19817 1 432 . 1 1 44 44 ILE H H 1 7.1800 0.05 . 1 . . . C 133 ILE H . 19817 1 433 . 1 1 44 44 ILE HA H 1 3.3400 0.05 . 1 . . . C 133 ILE HA . 19817 1 434 . 1 1 44 44 ILE HB H 1 1.8600 0.05 . 1 . . . C 133 ILE HB . 19817 1 435 . 1 1 44 44 ILE HG12 H 1 1.7900 0.05 . 1 . . . C 133 ILE HG12 . 19817 1 436 . 1 1 44 44 ILE HG13 H 1 0.8100 0.05 . 1 . . . C 133 ILE HG13 . 19817 1 437 . 1 1 44 44 ILE HG21 H 1 0.9500 0.05 . 1 . . . C 133 ILE HG21 . 19817 1 438 . 1 1 44 44 ILE HG22 H 1 0.9500 0.05 . 1 . . . C 133 ILE HG22 . 19817 1 439 . 1 1 44 44 ILE HG23 H 1 0.9500 0.05 . 1 . . . C 133 ILE HG23 . 19817 1 440 . 1 1 44 44 ILE HD11 H 1 0.9000 0.05 . 1 . . . C 133 ILE HD11 . 19817 1 441 . 1 1 44 44 ILE HD12 H 1 0.9000 0.05 . 1 . . . C 133 ILE HD12 . 19817 1 442 . 1 1 44 44 ILE HD13 H 1 0.9000 0.05 . 1 . . . C 133 ILE HD13 . 19817 1 443 . 1 1 44 44 ILE CA C 13 65.5000 0.30 . 1 . . . C 133 ILE CA . 19817 1 444 . 1 1 44 44 ILE CB C 13 38.7000 0.30 . 1 . . . C 133 ILE CB . 19817 1 445 . 1 1 44 44 ILE CG1 C 13 29.6000 0.30 . 1 . . . C 133 ILE CG1 . 19817 1 446 . 1 1 44 44 ILE CG2 C 13 18.4000 0.30 . 1 . . . C 133 ILE CG2 . 19817 1 447 . 1 1 44 44 ILE CD1 C 13 14.1000 0.30 . 1 . . . C 133 ILE CD1 . 19817 1 448 . 1 1 44 44 ILE N N 15 116.5800 0.50 . 1 . . . C 133 ILE N . 19817 1 449 . 1 1 45 45 GLU H H 1 8.1500 0.05 . 1 . . . C 134 GLU H . 19817 1 450 . 1 1 45 45 GLU HA H 1 3.8900 0.05 . 1 . . . C 134 GLU HA . 19817 1 451 . 1 1 45 45 GLU HB2 H 1 2.1800 0.05 . 2 . . . C 134 GLU HB2 . 19817 1 452 . 1 1 45 45 GLU HG2 H 1 2.4300 0.05 . 2 . . . C 134 GLU HG2 . 19817 1 453 . 1 1 45 45 GLU HG3 H 1 2.1800 0.05 . 2 . . . C 134 GLU HG3 . 19817 1 454 . 1 1 45 45 GLU CA C 13 59.6000 0.30 . 1 . . . C 134 GLU CA . 19817 1 455 . 1 1 45 45 GLU CB C 13 30.1000 0.30 . 1 . . . C 134 GLU CB . 19817 1 456 . 1 1 45 45 GLU CG C 13 36.4000 0.30 . 1 . . . C 134 GLU CG . 19817 1 457 . 1 1 45 45 GLU N N 15 117.7400 0.50 . 1 . . . C 134 GLU N . 19817 1 458 . 1 1 46 46 GLU H H 1 8.4300 0.05 . 1 . . . C 135 GLU H . 19817 1 459 . 1 1 46 46 GLU HA H 1 4.2200 0.05 . 1 . . . C 135 GLU HA . 19817 1 460 . 1 1 46 46 GLU HB2 H 1 2.1500 0.05 . 1 . . . C 135 GLU HB2 . 19817 1 461 . 1 1 46 46 GLU HB3 H 1 1.9900 0.05 . 1 . . . C 135 GLU HB3 . 19817 1 462 . 1 1 46 46 GLU HG2 H 1 2.4700 0.05 . 1 . . . C 135 GLU HG2 . 19817 1 463 . 1 1 46 46 GLU HG3 H 1 2.3100 0.05 . 1 . . . C 135 GLU HG3 . 19817 1 464 . 1 1 46 46 GLU CA C 13 58.9000 0.30 . 1 . . . C 135 GLU CA . 19817 1 465 . 1 1 46 46 GLU CB C 13 29.3000 0.30 . 1 . . . C 135 GLU CB . 19817 1 466 . 1 1 46 46 GLU CG C 13 37.2000 0.30 . 1 . . . C 135 GLU CG . 19817 1 467 . 1 1 46 46 GLU N N 15 116.3000 0.50 . 1 . . . C 135 GLU N . 19817 1 468 . 1 1 47 47 LEU H H 1 8.1000 0.05 . 1 . . . C 136 LEU H . 19817 1 469 . 1 1 47 47 LEU HA H 1 4.2600 0.05 . 1 . . . C 136 LEU HA . 19817 1 470 . 1 1 47 47 LEU HB2 H 1 1.5700 0.05 . 2 . . . C 136 LEU HB2 . 19817 1 471 . 1 1 47 47 LEU HB3 H 1 2.1500 0.05 . 2 . . . C 136 LEU HB3 . 19817 1 472 . 1 1 47 47 LEU HG H 1 2.1600 0.05 . 1 . . . C 136 LEU HG . 19817 1 473 . 1 1 47 47 LEU HD11 H 1 1.0000 0.05 . 2 . . . C 136 LEU HD11 . 19817 1 474 . 1 1 47 47 LEU HD12 H 1 1.0000 0.05 . 2 . . . C 136 LEU HD12 . 19817 1 475 . 1 1 47 47 LEU HD13 H 1 1.0000 0.05 . 2 . . . C 136 LEU HD13 . 19817 1 476 . 1 1 47 47 LEU HD21 H 1 1.0200 0.05 . 2 . . . C 136 LEU HD21 . 19817 1 477 . 1 1 47 47 LEU HD22 H 1 1.0200 0.05 . 2 . . . C 136 LEU HD22 . 19817 1 478 . 1 1 47 47 LEU HD23 H 1 1.0200 0.05 . 2 . . . C 136 LEU HD23 . 19817 1 479 . 1 1 47 47 LEU CA C 13 57.4000 0.30 . 1 . . . C 136 LEU CA . 19817 1 480 . 1 1 47 47 LEU CB C 13 41.7000 0.30 . 1 . . . C 136 LEU CB . 19817 1 481 . 1 1 47 47 LEU CG C 13 26.8000 0.30 . 1 . . . C 136 LEU CG . 19817 1 482 . 1 1 47 47 LEU CD1 C 13 24.3000 0.30 . 1 . . . C 136 LEU CD1 . 19817 1 483 . 1 1 47 47 LEU CD2 C 13 26.8000 0.30 . 1 . . . C 136 LEU CD2 . 19817 1 484 . 1 1 47 47 LEU N N 15 120.7000 0.50 . 1 . . . C 136 LEU N . 19817 1 485 . 1 1 48 48 MET H H 1 8.1800 0.05 . 1 . . . C 137 MET H . 19817 1 486 . 1 1 48 48 MET HA H 1 4.2900 0.05 . 1 . . . C 137 MET HA . 19817 1 487 . 1 1 48 48 MET HB3 H 1 1.8700 0.05 . 2 . . . C 137 MET HB3 . 19817 1 488 . 1 1 48 48 MET HG2 H 1 2.6100 0.05 . 1 . . . C 137 MET HG2 . 19817 1 489 . 1 1 48 48 MET HG3 H 1 2.4700 0.05 . 1 . . . C 137 MET HG3 . 19817 1 490 . 1 1 48 48 MET HE1 H 1 1.9000 0.05 . 1 . . . C 137 MET HE1 . 19817 1 491 . 1 1 48 48 MET HE2 H 1 1.9000 0.05 . 1 . . . C 137 MET HE2 . 19817 1 492 . 1 1 48 48 MET HE3 H 1 1.9000 0.05 . 1 . . . C 137 MET HE3 . 19817 1 493 . 1 1 48 48 MET CA C 13 57.7000 0.30 . 1 . . . C 137 MET CA . 19817 1 494 . 1 1 48 48 MET CB C 13 30.6000 0.30 . 1 . . . C 137 MET CB . 19817 1 495 . 1 1 48 48 MET CG C 13 32.2000 0.30 . 1 . . . C 137 MET CG . 19817 1 496 . 1 1 48 48 MET CE C 13 16.8000 0.30 . 1 . . . C 137 MET CE . 19817 1 497 . 1 1 48 48 MET N N 15 117.9300 0.50 . 1 . . . C 137 MET N . 19817 1 498 . 1 1 49 49 LYS H H 1 8.0600 0.05 . 1 . . . C 138 LYS H . 19817 1 499 . 1 1 49 49 LYS HA H 1 4.0700 0.05 . 1 . . . C 138 LYS HA . 19817 1 500 . 1 1 49 49 LYS HB2 H 1 1.8800 0.05 . 1 . . . C 138 LYS HB2 . 19817 1 501 . 1 1 49 49 LYS HB3 H 1 1.8800 0.05 . 1 . . . C 138 LYS HB3 . 19817 1 502 . 1 1 49 49 LYS HG3 H 1 1.5100 0.05 . 2 . . . C 138 LYS HG3 . 19817 1 503 . 1 1 49 49 LYS HD2 H 1 1.6900 0.05 . 2 . . . C 138 LYS HD2 . 19817 1 504 . 1 1 49 49 LYS HE2 H 1 2.9700 0.05 . 2 . . . C 138 LYS HE2 . 19817 1 505 . 1 1 49 49 LYS CA C 13 59.0000 0.30 . 1 . . . C 138 LYS CA . 19817 1 506 . 1 1 49 49 LYS CB C 13 32.6000 0.30 . 1 . . . C 138 LYS CB . 19817 1 507 . 1 1 49 49 LYS CG C 13 25.4000 0.30 . 1 . . . C 138 LYS CG . 19817 1 508 . 1 1 49 49 LYS CD C 13 29.3000 0.30 . 1 . . . C 138 LYS CD . 19817 1 509 . 1 1 49 49 LYS CE C 13 42.2000 0.30 . 1 . . . C 138 LYS CE . 19817 1 510 . 1 1 49 49 LYS N N 15 117.3700 0.50 . 1 . . . C 138 LYS N . 19817 1 511 . 1 1 50 50 ASP H H 1 7.6500 0.05 . 1 . . . C 139 ASP H . 19817 1 512 . 1 1 50 50 ASP HA H 1 4.3800 0.05 . 1 . . . C 139 ASP HA . 19817 1 513 . 1 1 50 50 ASP HB2 H 1 3.1200 0.05 . 2 . . . C 139 ASP HB2 . 19817 1 514 . 1 1 50 50 ASP HB3 H 1 2.8000 0.05 . 2 . . . C 139 ASP HB3 . 19817 1 515 . 1 1 50 50 ASP CA C 13 56.7000 0.30 . 1 . . . C 139 ASP CA . 19817 1 516 . 1 1 50 50 ASP CB C 13 43.2000 0.30 . 1 . . . C 139 ASP CB . 19817 1 517 . 1 1 50 50 ASP N N 15 117.3300 0.50 . 1 . . . C 139 ASP N . 19817 1 518 . 1 1 51 51 GLY H H 1 7.8500 0.05 . 1 . . . C 140 GLY H . 19817 1 519 . 1 1 51 51 GLY HA2 H 1 3.9100 0.05 . 2 . . . C 140 GLY HA2 . 19817 1 520 . 1 1 51 51 GLY HA3 H 1 2.7200 0.05 . 2 . . . C 140 GLY HA3 . 19817 1 521 . 1 1 51 51 GLY CA C 13 46.2000 0.30 . 1 . . . C 140 GLY CA . 19817 1 522 . 1 1 51 51 GLY N N 15 101.8500 0.50 . 1 . . . C 140 GLY N . 19817 1 523 . 1 1 52 52 ASP H H 1 8.5000 0.05 . 1 . . . C 141 ASP H . 19817 1 524 . 1 1 52 52 ASP HA H 1 4.5700 0.05 . 1 . . . C 141 ASP HA . 19817 1 525 . 1 1 52 52 ASP HB2 H 1 2.9200 0.05 . 1 . . . C 141 ASP HB2 . 19817 1 526 . 1 1 52 52 ASP HB3 H 1 2.2900 0.05 . 1 . . . C 141 ASP HB3 . 19817 1 527 . 1 1 52 52 ASP CA C 13 53.2000 0.30 . 1 . . . C 141 ASP CA . 19817 1 528 . 1 1 52 52 ASP CB C 13 39.5000 0.30 . 1 . . . C 141 ASP CB . 19817 1 529 . 1 1 52 52 ASP N N 15 120.4200 0.50 . 1 . . . C 141 ASP N . 19817 1 530 . 1 1 53 53 LYS H H 1 7.7400 0.05 . 1 . . . C 142 LYS H . 19817 1 531 . 1 1 53 53 LYS HA H 1 4.1500 0.05 . 1 . . . C 142 LYS HA . 19817 1 532 . 1 1 53 53 LYS HB2 H 1 1.9200 0.05 . 2 . . . C 142 LYS HB2 . 19817 1 533 . 1 1 53 53 LYS HG3 H 1 1.5100 0.05 . 2 . . . C 142 LYS HG3 . 19817 1 534 . 1 1 53 53 LYS HD2 H 1 1.7100 0.05 . 2 . . . C 142 LYS HD2 . 19817 1 535 . 1 1 53 53 LYS HE2 H 1 3.1100 0.05 . 2 . . . C 142 LYS HE2 . 19817 1 536 . 1 1 53 53 LYS CA C 13 57.9000 0.30 . 1 . . . C 142 LYS CA . 19817 1 537 . 1 1 53 53 LYS CB C 13 33.0000 0.30 . 1 . . . C 142 LYS CB . 19817 1 538 . 1 1 53 53 LYS CG C 13 24.7000 0.30 . 1 . . . C 142 LYS CG . 19817 1 539 . 1 1 53 53 LYS CD C 13 28.4000 0.30 . 1 . . . C 142 LYS CD . 19817 1 540 . 1 1 53 53 LYS CE C 13 42.3000 0.30 . 1 . . . C 142 LYS CE . 19817 1 541 . 1 1 53 53 LYS N N 15 125.8900 0.50 . 1 . . . C 142 LYS N . 19817 1 542 . 1 1 54 54 ASN H H 1 8.1200 0.05 . 1 . . . C 143 ASN H . 19817 1 543 . 1 1 54 54 ASN HA H 1 4.8000 0.05 . 1 . . . C 143 ASN HA . 19817 1 544 . 1 1 54 54 ASN HB2 H 1 3.3100 0.05 . 1 . . . C 143 ASN HB2 . 19817 1 545 . 1 1 54 54 ASN HB3 H 1 2.8500 0.05 . 1 . . . C 143 ASN HB3 . 19817 1 546 . 1 1 54 54 ASN HD21 H 1 7.8600 0.05 . 2 . . . C 143 ASN HD21 . 19817 1 547 . 1 1 54 54 ASN HD22 H 1 6.6300 0.05 . 2 . . . C 143 ASN HD22 . 19817 1 548 . 1 1 54 54 ASN CA C 13 51.7000 0.30 . 1 . . . C 143 ASN CA . 19817 1 549 . 1 1 54 54 ASN CB C 13 37.2000 0.30 . 1 . . . C 143 ASN CB . 19817 1 550 . 1 1 54 54 ASN N N 15 113.6100 0.50 . 1 . . . C 143 ASN N . 19817 1 551 . 1 1 54 54 ASN ND2 N 15 112.6040 0.50 . 1 . . . C 143 ASN ND2 . 19817 1 552 . 1 1 55 55 ASN H H 1 7.7200 0.05 . 1 . . . C 144 ASN H . 19817 1 553 . 1 1 55 55 ASN HA H 1 4.5000 0.05 . 1 . . . C 144 ASN HA . 19817 1 554 . 1 1 55 55 ASN HB2 H 1 3.0800 0.05 . 1 . . . C 144 ASN HB2 . 19817 1 555 . 1 1 55 55 ASN HB3 H 1 2.6400 0.05 . 1 . . . C 144 ASN HB3 . 19817 1 556 . 1 1 55 55 ASN CA C 13 55.1000 0.30 . 1 . . . C 144 ASN CA . 19817 1 557 . 1 1 55 55 ASN CB C 13 37.8000 0.30 . 1 . . . C 144 ASN CB . 19817 1 558 . 1 1 55 55 ASN N N 15 115.9000 0.50 . 1 . . . C 144 ASN N . 19817 1 559 . 1 1 55 55 ASN ND2 N 15 111.9510 0.50 . 1 . . . C 144 ASN ND2 . 19817 1 560 . 1 1 56 56 ASP H H 1 8.6800 0.05 . 1 . . . C 145 ASP H . 19817 1 561 . 1 1 56 56 ASP HA H 1 4.7100 0.05 . 1 . . . C 145 ASP HA . 19817 1 562 . 1 1 56 56 ASP HB2 H 1 3.0000 0.05 . 2 . . . C 145 ASP HB2 . 19817 1 563 . 1 1 56 56 ASP HB3 H 1 2.3800 0.05 . 2 . . . C 145 ASP HB3 . 19817 1 564 . 1 1 56 56 ASP CA C 13 53.0000 0.30 . 1 . . . C 145 ASP CA . 19817 1 565 . 1 1 56 56 ASP CB C 13 41.0000 0.30 . 1 . . . C 145 ASP CB . 19817 1 566 . 1 1 56 56 ASP N N 15 118.5700 0.50 . 1 . . . C 145 ASP N . 19817 1 567 . 1 1 57 57 GLY H H 1 10.3200 0.05 . 1 . . . C 146 GLY H . 19817 1 568 . 1 1 57 57 GLY HA2 H 1 4.0700 0.05 . 2 . . . C 146 GLY HA2 . 19817 1 569 . 1 1 57 57 GLY HA3 H 1 3.4700 0.05 . 2 . . . C 146 GLY HA3 . 19817 1 570 . 1 1 57 57 GLY CA C 13 45.7000 0.30 . 1 . . . C 146 GLY CA . 19817 1 571 . 1 1 57 57 GLY N N 15 112.9400 0.50 . 1 . . . C 146 GLY N . 19817 1 572 . 1 1 58 58 ARG H H 1 7.6900 0.05 . 1 . . . C 147 ARG H . 19817 1 573 . 1 1 58 58 ARG HA H 1 4.9100 0.05 . 1 . . . C 147 ARG HA . 19817 1 574 . 1 1 58 58 ARG HB2 H 1 1.5400 0.05 . 2 . . . C 147 ARG HB2 . 19817 1 575 . 1 1 58 58 ARG HG3 H 1 1.2900 0.05 . 2 . . . C 147 ARG HG3 . 19817 1 576 . 1 1 58 58 ARG HD2 H 1 2.5300 0.05 . 1 . . . C 147 ARG HD2 . 19817 1 577 . 1 1 58 58 ARG HD3 H 1 2.2700 0.05 . 1 . . . C 147 ARG HD3 . 19817 1 578 . 1 1 58 58 ARG CA C 13 54.0000 0.30 . 1 . . . C 147 ARG CA . 19817 1 579 . 1 1 58 58 ARG CB C 13 34.4000 0.30 . 1 . . . C 147 ARG CB . 19817 1 580 . 1 1 58 58 ARG CG C 13 25.8000 0.30 . 1 . . . C 147 ARG CG . 19817 1 581 . 1 1 58 58 ARG CD C 13 43.1000 0.30 . 1 . . . C 147 ARG CD . 19817 1 582 . 1 1 58 58 ARG N N 15 115.4400 0.50 . 1 . . . C 147 ARG N . 19817 1 583 . 1 1 59 59 ILE H H 1 9.4300 0.05 . 1 . . . C 148 ILE H . 19817 1 584 . 1 1 59 59 ILE HA H 1 5.0500 0.05 . 1 . . . C 148 ILE HA . 19817 1 585 . 1 1 59 59 ILE HB H 1 1.8100 0.05 . 1 . . . C 148 ILE HB . 19817 1 586 . 1 1 59 59 ILE HG12 H 1 0.3600 0.05 . 1 . . . C 148 ILE HG12 . 19817 1 587 . 1 1 59 59 ILE HG13 H 1 1.6100 0.05 . 1 . . . C 148 ILE HG13 . 19817 1 588 . 1 1 59 59 ILE HG21 H 1 0.9500 0.05 . 1 . . . C 148 ILE HG21 . 19817 1 589 . 1 1 59 59 ILE HG22 H 1 0.9500 0.05 . 1 . . . C 148 ILE HG22 . 19817 1 590 . 1 1 59 59 ILE HG23 H 1 0.9500 0.05 . 1 . . . C 148 ILE HG23 . 19817 1 591 . 1 1 59 59 ILE HD11 H 1 0.3700 0.05 . 1 . . . C 148 ILE HD11 . 19817 1 592 . 1 1 59 59 ILE HD12 H 1 0.3700 0.05 . 1 . . . C 148 ILE HD12 . 19817 1 593 . 1 1 59 59 ILE HD13 H 1 0.3700 0.05 . 1 . . . C 148 ILE HD13 . 19817 1 594 . 1 1 59 59 ILE CA C 13 60.6000 0.30 . 1 . . . C 148 ILE CA . 19817 1 595 . 1 1 59 59 ILE CB C 13 40.0000 0.30 . 1 . . . C 148 ILE CB . 19817 1 596 . 1 1 59 59 ILE CG1 C 13 28.1000 0.30 . 1 . . . C 148 ILE CG1 . 19817 1 597 . 1 1 59 59 ILE CG2 C 13 17.3000 0.30 . 1 . . . C 148 ILE CG2 . 19817 1 598 . 1 1 59 59 ILE CD1 C 13 13.3000 0.30 . 1 . . . C 148 ILE CD1 . 19817 1 599 . 1 1 59 59 ILE N N 15 126.0900 0.50 . 1 . . . C 148 ILE N . 19817 1 600 . 1 1 60 60 ASP H H 1 9.3900 0.05 . 1 . . . C 149 ASP H . 19817 1 601 . 1 1 60 60 ASP HA H 1 5.1600 0.05 . 1 . . . C 149 ASP HA . 19817 1 602 . 1 1 60 60 ASP HB2 H 1 3.2200 0.05 . 1 . . . C 149 ASP HB2 . 19817 1 603 . 1 1 60 60 ASP HB3 H 1 2.8000 0.05 . 1 . . . C 149 ASP HB3 . 19817 1 604 . 1 1 60 60 ASP CA C 13 52.5000 0.30 . 1 . . . C 149 ASP CA . 19817 1 605 . 1 1 60 60 ASP CB C 13 41.9000 0.30 . 1 . . . C 149 ASP CB . 19817 1 606 . 1 1 60 60 ASP N N 15 129.1700 0.50 . 1 . . . C 149 ASP N . 19817 1 607 . 1 1 61 61 TYR H H 1 8.4200 0.05 . 1 . . . C 150 TYR H . 19817 1 608 . 1 1 61 61 TYR HA H 1 3.3800 0.05 . 1 . . . C 150 TYR HA . 19817 1 609 . 1 1 61 61 TYR HB2 H 1 2.4600 0.05 . 2 . . . C 150 TYR HB2 . 19817 1 610 . 1 1 61 61 TYR HB3 H 1 2.1500 0.05 . 2 . . . C 150 TYR HB3 . 19817 1 611 . 1 1 61 61 TYR HD1 H 1 6.3600 0.05 . 3 . . . C 150 TYR HD1 . 19817 1 612 . 1 1 61 61 TYR HE1 H 1 6.5700 0.05 . 3 . . . C 150 TYR HE1 . 19817 1 613 . 1 1 61 61 TYR CA C 13 62.2000 0.30 . 1 . . . C 150 TYR CA . 19817 1 614 . 1 1 61 61 TYR CB C 13 38.2000 0.30 . 1 . . . C 150 TYR CB . 19817 1 615 . 1 1 61 61 TYR N N 15 118.6000 0.50 . 1 . . . C 150 TYR N . 19817 1 616 . 1 1 62 62 ASP H H 1 7.7400 0.05 . 1 . . . C 151 ASP H . 19817 1 617 . 1 1 62 62 ASP HA H 1 4.0800 0.05 . 1 . . . C 151 ASP HA . 19817 1 618 . 1 1 62 62 ASP HB2 H 1 2.6900 0.05 . 1 . . . C 151 ASP HB2 . 19817 1 619 . 1 1 62 62 ASP HB3 H 1 2.5900 0.05 . 1 . . . C 151 ASP HB3 . 19817 1 620 . 1 1 62 62 ASP CA C 13 57.9000 0.30 . 1 . . . C 151 ASP CA . 19817 1 621 . 1 1 62 62 ASP CB C 13 40.6000 0.30 . 1 . . . C 151 ASP CB . 19817 1 622 . 1 1 62 62 ASP N N 15 118.0600 0.50 . 1 . . . C 151 ASP N . 19817 1 623 . 1 1 63 63 GLU H H 1 8.8800 0.05 . 1 . . . C 152 GLU H . 19817 1 624 . 1 1 63 63 GLU HA H 1 4.0300 0.05 . 1 . . . C 152 GLU HA . 19817 1 625 . 1 1 63 63 GLU HB2 H 1 2.4900 0.05 . 1 . . . C 152 GLU HB2 . 19817 1 626 . 1 1 63 63 GLU HB3 H 1 2.3800 0.05 . 1 . . . C 152 GLU HB3 . 19817 1 627 . 1 1 63 63 GLU HG2 H 1 2.9900 0.05 . 2 . . . C 152 GLU HG2 . 19817 1 628 . 1 1 63 63 GLU CA C 13 58.7000 0.30 . 1 . . . C 152 GLU CA . 19817 1 629 . 1 1 63 63 GLU CB C 13 29.7000 0.30 . 1 . . . C 152 GLU CB . 19817 1 630 . 1 1 63 63 GLU CG C 13 37.5000 0.30 . 1 . . . C 152 GLU CG . 19817 1 631 . 1 1 63 63 GLU N N 15 120.4800 0.50 . 1 . . . C 152 GLU N . 19817 1 632 . 1 1 64 64 PHE H H 1 9.2800 0.05 . 1 . . . C 153 PHE H . 19817 1 633 . 1 1 64 64 PHE HA H 1 4.0000 0.05 . 1 . . . C 153 PHE HA . 19817 1 634 . 1 1 64 64 PHE HB2 H 1 3.4000 0.05 . 1 . . . C 153 PHE HB2 . 19817 1 635 . 1 1 64 64 PHE HB3 H 1 3.1500 0.05 . 1 . . . C 153 PHE HB3 . 19817 1 636 . 1 1 64 64 PHE HD1 H 1 6.8800 0.05 . 3 . . . C 153 PHE HD1 . 19817 1 637 . 1 1 64 64 PHE HE1 H 1 6.3800 0.05 . 3 . . . C 153 PHE HE1 . 19817 1 638 . 1 1 64 64 PHE HZ H 1 7.0700 0.05 . 1 . . . C 153 PHE HZ . 19817 1 639 . 1 1 64 64 PHE CA C 13 61.8000 0.30 . 1 . . . C 153 PHE CA . 19817 1 640 . 1 1 64 64 PHE CB C 13 39.8000 0.30 . 1 . . . C 153 PHE CB . 19817 1 641 . 1 1 64 64 PHE N N 15 124.9900 0.50 . 1 . . . C 153 PHE N . 19817 1 642 . 1 1 65 65 LEU H H 1 7.8800 0.05 . 1 . . . C 154 LEU H . 19817 1 643 . 1 1 65 65 LEU HA H 1 3.6500 0.05 . 1 . . . C 154 LEU HA . 19817 1 644 . 1 1 65 65 LEU HB2 H 1 1.8100 0.05 . 1 . . . C 154 LEU HB2 . 19817 1 645 . 1 1 65 65 LEU HB3 H 1 1.2800 0.05 . 1 . . . C 154 LEU HB3 . 19817 1 646 . 1 1 65 65 LEU HG H 1 1.3800 0.05 . 1 . . . C 154 LEU HG . 19817 1 647 . 1 1 65 65 LEU HD11 H 1 0.7300 0.05 . 2 . . . C 154 LEU HD11 . 19817 1 648 . 1 1 65 65 LEU HD12 H 1 0.7300 0.05 . 2 . . . C 154 LEU HD12 . 19817 1 649 . 1 1 65 65 LEU HD13 H 1 0.7300 0.05 . 2 . . . C 154 LEU HD13 . 19817 1 650 . 1 1 65 65 LEU HD21 H 1 0.6800 0.05 . 2 . . . C 154 LEU HD21 . 19817 1 651 . 1 1 65 65 LEU HD22 H 1 0.6800 0.05 . 2 . . . C 154 LEU HD22 . 19817 1 652 . 1 1 65 65 LEU HD23 H 1 0.6800 0.05 . 2 . . . C 154 LEU HD23 . 19817 1 653 . 1 1 65 65 LEU CA C 13 58.2000 0.30 . 1 . . . C 154 LEU CA . 19817 1 654 . 1 1 65 65 LEU CB C 13 41.4000 0.30 . 1 . . . C 154 LEU CB . 19817 1 655 . 1 1 65 65 LEU CG C 13 26.0000 0.30 . 1 . . . C 154 LEU CG . 19817 1 656 . 1 1 65 65 LEU CD1 C 13 23.2000 0.30 . 1 . . . C 154 LEU CD1 . 19817 1 657 . 1 1 65 65 LEU CD2 C 13 25.4000 0.30 . 1 . . . C 154 LEU CD2 . 19817 1 658 . 1 1 65 65 LEU N N 15 117.7800 0.50 . 1 . . . C 154 LEU N . 19817 1 659 . 1 1 66 66 GLU H H 1 6.9100 0.05 . 1 . . . C 155 GLU H . 19817 1 660 . 1 1 66 66 GLU HA H 1 4.0500 0.05 . 1 . . . C 155 GLU HA . 19817 1 661 . 1 1 66 66 GLU HB2 H 1 2.0700 0.05 . 2 . . . C 155 GLU HB2 . 19817 1 662 . 1 1 66 66 GLU HG2 H 1 2.3200 0.05 . 2 . . . C 155 GLU HG2 . 19817 1 663 . 1 1 66 66 GLU CA C 13 58.9000 0.30 . 1 . . . C 155 GLU CA . 19817 1 664 . 1 1 66 66 GLU CB C 13 29.5000 0.30 . 1 . . . C 155 GLU CB . 19817 1 665 . 1 1 66 66 GLU CG C 13 36.0000 0.30 . 1 . . . C 155 GLU CG . 19817 1 666 . 1 1 66 66 GLU N N 15 116.5560 0.50 . 1 . . . C 155 GLU N . 19817 1 667 . 1 1 67 67 PHE H H 1 8.6100 0.05 . 1 . . . C 156 PHE H . 19817 1 668 . 1 1 67 67 PHE HA H 1 4.1200 0.05 . 1 . . . C 156 PHE HA . 19817 1 669 . 1 1 67 67 PHE HB2 H 1 3.2500 0.05 . 1 . . . C 156 PHE HB2 . 19817 1 670 . 1 1 67 67 PHE HB3 H 1 3.3400 0.05 . 1 . . . C 156 PHE HB3 . 19817 1 671 . 1 1 67 67 PHE HD2 H 1 6.9600 0.05 . 3 . . . C 156 PHE HD2 . 19817 1 672 . 1 1 67 67 PHE HE2 H 1 7.1400 0.05 . 3 . . . C 156 PHE HE2 . 19817 1 673 . 1 1 67 67 PHE HZ H 1 7.3200 0.05 . 1 . . . C 156 PHE HZ . 19817 1 674 . 1 1 67 67 PHE CA C 13 58.6000 0.30 . 1 . . . C 156 PHE CA . 19817 1 675 . 1 1 67 67 PHE CB C 13 40.9000 0.30 . 1 . . . C 156 PHE CB . 19817 1 676 . 1 1 67 67 PHE N N 15 121.8000 0.50 . 1 . . . C 156 PHE N . 19817 1 677 . 1 1 68 68 MET H H 1 7.4900 0.05 . 1 . . . C 157 MET H . 19817 1 678 . 1 1 68 68 MET HA H 1 4.3600 0.05 . 1 . . . C 157 MET HA . 19817 1 679 . 1 1 68 68 MET HB2 H 1 1.4000 0.05 . 1 . . . C 157 MET HB2 . 19817 1 680 . 1 1 68 68 MET HB3 H 1 1.9500 0.05 . 1 . . . C 157 MET HB3 . 19817 1 681 . 1 1 68 68 MET HG3 H 1 1.5600 0.05 . 1 . . . C 157 MET HG3 . 19817 1 682 . 1 1 68 68 MET HE1 H 1 1.8900 0.05 . 1 . . . C 157 MET HE1 . 19817 1 683 . 1 1 68 68 MET HE2 H 1 1.8900 0.05 . 1 . . . C 157 MET HE2 . 19817 1 684 . 1 1 68 68 MET HE3 H 1 1.8900 0.05 . 1 . . . C 157 MET HE3 . 19817 1 685 . 1 1 68 68 MET CA C 13 53.3000 0.30 . 1 . . . C 157 MET CA . 19817 1 686 . 1 1 68 68 MET CB C 13 32.5000 0.30 . 1 . . . C 157 MET CB . 19817 1 687 . 1 1 68 68 MET CE C 13 17.6000 0.30 . 1 . . . C 157 MET CE . 19817 1 688 . 1 1 68 68 MET N N 15 111.8000 0.50 . 1 . . . C 157 MET N . 19817 1 689 . 1 1 69 69 LYS H H 1 7.1100 0.05 . 1 . . . C 158 LYS H . 19817 1 690 . 1 1 69 69 LYS HA H 1 3.9500 0.05 . 1 . . . C 158 LYS HA . 19817 1 691 . 1 1 69 69 LYS HB2 H 1 1.9700 0.05 . 1 . . . C 158 LYS HB2 . 19817 1 692 . 1 1 69 69 LYS HB3 H 1 1.8200 0.05 . 1 . . . C 158 LYS HB3 . 19817 1 693 . 1 1 69 69 LYS HG2 H 1 1.4500 0.05 . 1 . . . C 158 LYS HG2 . 19817 1 694 . 1 1 69 69 LYS HG3 H 1 1.3600 0.05 . 1 . . . C 158 LYS HG3 . 19817 1 695 . 1 1 69 69 LYS HD2 H 1 1.6600 0.05 . 2 . . . C 158 LYS HD2 . 19817 1 696 . 1 1 69 69 LYS HE2 H 1 2.9200 0.05 . 2 . . . C 158 LYS HE2 . 19817 1 697 . 1 1 69 69 LYS CA C 13 59.3000 0.30 . 1 . . . C 158 LYS CA . 19817 1 698 . 1 1 69 69 LYS CB C 13 32.4000 0.30 . 1 . . . C 158 LYS CB . 19817 1 699 . 1 1 69 69 LYS CG C 13 24.0000 0.30 . 1 . . . C 158 LYS CG . 19817 1 700 . 1 1 69 69 LYS CD C 13 29.4000 0.30 . 1 . . . C 158 LYS CD . 19817 1 701 . 1 1 69 69 LYS CE C 13 42.2000 0.30 . 1 . . . C 158 LYS CE . 19817 1 702 . 1 1 69 69 LYS N N 15 121.9700 0.50 . 1 . . . C 158 LYS N . 19817 1 703 . 1 1 70 70 ASP H H 1 8.4700 0.05 . 1 . . . C 159 ASP H . 19817 1 704 . 1 1 70 70 ASP HA H 1 4.4400 0.05 . 1 . . . C 159 ASP HA . 19817 1 705 . 1 1 70 70 ASP HB2 H 1 2.7400 0.05 . 1 . . . C 159 ASP HB2 . 19817 1 706 . 1 1 70 70 ASP HB3 H 1 2.5700 0.05 . 1 . . . C 159 ASP HB3 . 19817 1 707 . 1 1 70 70 ASP CA C 13 54.9000 0.30 . 1 . . . C 159 ASP CA . 19817 1 708 . 1 1 70 70 ASP CB C 13 40.4000 0.30 . 1 . . . C 159 ASP CB . 19817 1 709 . 1 1 70 70 ASP N N 15 116.8000 0.50 . 1 . . . C 159 ASP N . 19817 1 710 . 1 1 71 71 VAL H H 1 7.2700 0.05 . 1 . . . C 160 VAL H . 19817 1 711 . 1 1 71 71 VAL HA H 1 3.7900 0.05 . 1 . . . C 160 VAL HA . 19817 1 712 . 1 1 71 71 VAL HB H 1 1.9500 0.05 . 1 . . . C 160 VAL HB . 19817 1 713 . 1 1 71 71 VAL HG11 H 1 0.7300 0.05 . 2 . . . C 160 VAL HG11 . 19817 1 714 . 1 1 71 71 VAL HG12 H 1 0.7300 0.05 . 2 . . . C 160 VAL HG12 . 19817 1 715 . 1 1 71 71 VAL HG13 H 1 0.7300 0.05 . 2 . . . C 160 VAL HG13 . 19817 1 716 . 1 1 71 71 VAL HG21 H 1 0.8800 0.05 . 2 . . . C 160 VAL HG21 . 19817 1 717 . 1 1 71 71 VAL HG22 H 1 0.8800 0.05 . 2 . . . C 160 VAL HG22 . 19817 1 718 . 1 1 71 71 VAL HG23 H 1 0.8800 0.05 . 2 . . . C 160 VAL HG23 . 19817 1 719 . 1 1 71 71 VAL CA C 13 63.3000 0.30 . 1 . . . C 160 VAL CA . 19817 1 720 . 1 1 71 71 VAL CB C 13 32.1000 0.30 . 1 . . . C 160 VAL CB . 19817 1 721 . 1 1 71 71 VAL CG1 C 13 22.1000 0.30 . 1 . . . C 160 VAL CG1 . 19817 1 722 . 1 1 71 71 VAL CG2 C 13 22.2000 0.30 . 1 . . . C 160 VAL CG2 . 19817 1 723 . 1 1 71 71 VAL N N 15 119.8000 0.50 . 1 . . . C 160 VAL N . 19817 1 724 . 1 1 72 72 GLU H H 1 7.8300 0.05 . 1 . . . C 161 GLU H . 19817 1 725 . 1 1 72 72 GLU HA H 1 4.0900 0.05 . 1 . . . C 161 GLU HA . 19817 1 726 . 1 1 72 72 GLU HB2 H 1 1.9900 0.05 . 1 . . . C 161 GLU HB2 . 19817 1 727 . 1 1 72 72 GLU HB3 H 1 1.8500 0.05 . 1 . . . C 161 GLU HB3 . 19817 1 728 . 1 1 72 72 GLU HG2 H 1 2.1500 0.05 . 2 . . . C 161 GLU HG2 . 19817 1 729 . 1 1 72 72 GLU CA C 13 58.3800 0.30 . 1 . . . C 161 GLU CA . 19817 1 730 . 1 1 72 72 GLU CB C 13 31.2200 0.30 . 1 . . . C 161 GLU CB . 19817 1 731 . 1 1 72 72 GLU CG C 13 36.7130 0.30 . 1 . . . C 161 GLU CG . 19817 1 732 . 1 1 72 72 GLU N N 15 130.4000 0.50 . 1 . . . C 161 GLU N . 19817 1 stop_ save_