data_15385 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15385 _Entry.Title ; Solution structure of F104W cardiac troponin C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-07-17 _Entry.Accession_date 2007-07-17 _Entry.Last_release_date 2007-08-15 _Entry.Original_release_date 2007-08-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Backbone and side chain chemical shift assignments of F104W cardiac troponin C' _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 Xu Wang . . . 15385 2 Pascal Mercier . . . 15385 3 Paul-Jean Letourneau . . . 15385 4 Brian Sykes . D. . 15385 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 . 'not applicable' 'not applicable' . 15385 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Alberta' . 15385 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Calcium-bind protein' . 15385 'EF-hand protein' . 15385 'Phe-to-Trp mutation' . 15385 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15385 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 513 15385 '15N chemical shifts' 158 15385 '1H chemical shifts' 1057 15385 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 . . 2007-08-15 2007-07-17 original author . 15385 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JT0 'BMRB Entry Tracking System' 15385 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15385 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16131667 _Citation.Full_citation . _Citation.Title 'Effects of Phe-to-Trp mutation and fluorotryptophan incorporation on the solution structure of cardiac troponin C, and analysis of its suitability as a potential probe for in situ NMR studies' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 9 _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 2447 _Citation.Page_last 2460 _Citation.Year 2005 _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 Xu Wang . . . 15385 1 2 Pascal Mercier . . . 15385 1 3 Paul-Jean Letourneau . . . 15385 1 4 Brian Sykes . . . 15385 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'calcium-binding protein' 15385 1 'EF-hand protein' 15385 1 'muscle regulatory protein' 15385 1 'Trp mutation' 15385 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15385 _Assembly.ID 1 _Assembly.Name 'F104W cTnC' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 18500 _Assembly.Enzyme_commission_number . _Assembly.Details 'F104W cTnC' _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 'F104W cTnC' 1 $F104W A . yes native no no . . . 15385 1 2 'Calcium ion' 2 $CA A . no native no no . . . 15385 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'muscle contraction regulation' 15385 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_F104W _Entity.Sf_category entity _Entity.Sf_framecode F104W _Entity.Entry_ID 15385 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name F104W _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDDIYKAAVEQLTEEQKNEF KAAFDIFVLGAEDGSISTKE LGKVMRMLGQNPTPEELQEM IDEVDEDGSGTVDFDEFLVM MVRSMKDDSKGKSEEELSDL FRMWDKNADGYIDLDELKIM LQATGETITEDDIEELMKDG DKNNDGRIDYDEFLEFMKGV E ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This protein is a version of cardiac troponin C with F104 mutated to W' _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 161 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'F104W cardiac troponin C' _Entity.Mutation 'F104W, C35S, C84S' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18428.521 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 15388 . F153W . . . . . 100.00 161 98.76 100.00 4.59e-105 . . . . 15385 1 2 no BMRB 15400 . F153(FTR) . . . . . 100.00 161 98.76 99.38 7.18e-105 . . . . 15385 1 3 no BMRB 15427 . F104(FTR) . . . . . 100.00 161 100.00 100.00 1.86e-107 . . . . 15385 1 4 no BMRB 16190 . cNTnC . . . . . 55.28 89 100.00 100.00 1.30e-53 . . . . 15385 1 5 no BMRB 17103 . cNTnC . . . . . 55.28 89 97.75 97.75 1.05e-52 . . . . 15385 1 6 no BMRB 19789 . cNTnC . . . . . 55.28 89 97.75 97.75 1.05e-52 . . . . 15385 1 7 no BMRB 25034 . cChimera . . . . . 55.28 141 98.88 98.88 1.53e-53 . . . . 15385 1 8 no BMRB 25035 . cChimeraX . . . . . 55.28 141 98.88 98.88 1.43e-53 . . . . 15385 1 9 no BMRB 25120 . cTnC . . . . . 100.00 161 99.38 100.00 4.83e-106 . . . . 15385 1 10 no BMRB 25495 . cNTnC . . . . . 55.28 89 97.75 97.75 1.05e-52 . . . . 15385 1 11 no BMRB 25797 . entity_1 . . . . . 55.28 89 98.88 98.88 1.29e-52 . . . . 15385 1 12 no PDB 1AJ4 . "Structure Of Calcium-Saturated Cardiac Troponin C, Nmr, 1 Structure" . . . . . 98.76 161 98.11 100.00 8.57e-104 . . . . 15385 1 13 no PDB 1AP4 . "Regulatory Domain Of Human Cardiac Troponin C In The Calcium-Saturated State, Nmr, 40 Structures" . . . . . 55.28 89 97.75 97.75 1.05e-52 . . . . 15385 1 14 no PDB 1DTL . "Crystal Structure Of Calcium-Saturated (3ca2+) Cardiac Troponin C Complexed With The Calcium Sensitizer Bepridil At 2.15 A Reso" . . . . . 100.00 161 98.76 100.00 1.77e-105 . . . . 15385 1 15 no PDB 1J1D . "Crystal Structure Of The 46kda Domain Of Human Cardiac Troponin In The Ca2+ Saturated Form" . . . . . 100.00 161 98.76 100.00 1.77e-105 . . . . 15385 1 16 no PDB 1J1E . "Crystal Structure Of The 52kda Domain Of Human Cardiac Troponin In The Ca2+ Saturated Form" . . . . . 100.00 161 98.76 100.00 1.77e-105 . . . . 15385 1 17 no PDB 1LXF . "Structure Of The Regulatory N-Domain Of Human Cardiac Troponin C In Complex With Human Cardiac Troponin-I(147- 163) And Bepridi" . . . . . 55.28 89 97.75 97.75 1.05e-52 . . . . 15385 1 18 no PDB 1MXL . "Structure Of Cardiac Troponin C-troponin I Complex" . . . . . 55.28 89 97.75 97.75 1.05e-52 . . . . 15385 1 19 no PDB 1SPY . "Regulatory Domain Of Human Cardiac Troponin C In The Calcium-Free State, Nmr, 40 Structures" . . . . . 55.28 89 97.75 97.75 1.05e-52 . . . . 15385 1 20 no PDB 1WRK . "Crystal Structure Of The N-Terminal Domain Of Human Cardiac Troponin C In Complex With Trifluoperazine (Orthrombic Crystal Form" . . . . . 54.66 88 100.00 100.00 7.03e-53 . . . . 15385 1 21 no PDB 1WRL . "Crystal Structure Of The N-Terminal Domain Of Human Cardiac Troponin C In Complex With Trifluoperazine (Monoclinic Crystal Form" . . . . . 54.66 88 100.00 100.00 7.03e-53 . . . . 15385 1 22 no PDB 2CTN . "Structure Of Calcium-Saturated Cardiac Troponin C, Nmr, 30 Structures" . . . . . 54.04 89 100.00 100.00 2.17e-52 . . . . 15385 1 23 no PDB 2JT0 . "Solution Structure Of F104w Cardiac Troponin C" . . . . . 100.00 161 100.00 100.00 1.86e-107 . . . . 15385 1 24 no PDB 2JT3 . "Solution Structure Of F153w Cardiac Troponin C" . . . . . 100.00 161 98.76 100.00 4.59e-105 . . . . 15385 1 25 no PDB 2JT8 . "Solution Structure Of The F153-To-5-Flurotryptophan Mutant Of Human Cardiac Troponin C" . . . . . 100.00 161 98.76 99.38 7.18e-105 . . . . 15385 1 26 no PDB 2JTZ . "Solution Structure And Chemical Shift Assignments Of The F104-To-5-Flurotryptophan Mutant Of Cardiac Troponin C" . . . . . 100.00 161 99.38 99.38 1.39e-105 . . . . 15385 1 27 no PDB 2KFX . "Structure Of The N-Terminal Domain Of Human Cardiac Troponin C Bound To Calcium Ion And To The Inhibitor W7" . . . . . 55.28 89 100.00 100.00 1.30e-53 . . . . 15385 1 28 no PDB 2KRD . "Solution Structure Of The Regulatory Domain Of Human Cardiac C In Complex With The Switch Region Of Cardiac Troponin I A" . . . . . 55.28 89 97.75 97.75 1.05e-52 . . . . 15385 1 29 no PDB 2L1R . "The Structure Of The Calcium-Sensitizer, Dfbp-O, In Complex With The N-Domain Of Troponin C And The Switch Region Of Troponin I" . . . . . 55.28 89 97.75 97.75 1.05e-52 . . . . 15385 1 30 no PDB 2MKP . "N Domain Of Cardiac Troponin C Bound To The Switch Fragment Of Fast Skeletal Troponin I At Ph 6" . . . . . 55.28 89 97.75 97.75 1.05e-52 . . . . 15385 1 31 no PDB 2MZP . "Structure And Dynamics Of The Acidosis-resistant A162h Mutant Of The Switch Region Of Troponin I Bound To The Regulatory Domain" . . . . . 55.28 89 97.75 97.75 1.05e-52 . . . . 15385 1 32 no PDB 3SD6 . "Crystal Structure Of The Amino-terminal Domain Of Human Cardiac Troponin C In Complex With Cadmium At 1.4 Resolution." . . . . . 55.28 89 97.75 97.75 1.05e-52 . . . . 15385 1 33 no PDB 3SWB . "Crystal Structure Of The Amino-terminal Domain Of Human Cardiac Troponin C In Complex With Cadmium At 1.7 A Resolution" . . . . . 55.28 89 97.75 97.75 1.05e-52 . . . . 15385 1 34 no PDB 4GJE . "Crystal Structure Of The Refolded Amino-terminal Domain Of Human Cardiac Troponin C In Complex With Cadmium" . . . . . 55.28 89 97.75 97.75 1.05e-52 . . . . 15385 1 35 no DBJ BAG36483 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 161 98.14 98.76 6.10e-105 . . . . 15385 1 36 no EMBL CAA30736 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 161 98.14 98.76 6.10e-105 . . . . 15385 1 37 no EMBL CAG46663 . "TNNC1 [Homo sapiens]" . . . . . 100.00 161 98.14 98.76 6.10e-105 . . . . 15385 1 38 no EMBL CAG46683 . "TNNC1 [Homo sapiens]" . . . . . 100.00 161 98.14 98.76 6.10e-105 . . . . 15385 1 39 no GB AAA36772 . "slow twitch skeletal/cardiac muscle troponin C [Homo sapiens]" . . . . . 100.00 161 98.14 98.76 6.10e-105 . . . . 15385 1 40 no GB AAA37492 . "slow/cardiac troponin C, partial [Mus musculus]" . . . . . 100.00 161 97.52 98.76 2.29e-104 . . . . 15385 1 41 no GB AAA37493 . "slow/cardiac troponin C [Mus musculus]" . . . . . 100.00 161 97.52 98.76 2.29e-104 . . . . 15385 1 42 no GB AAB91994 . "cardiac ventricular troponin C [Homo sapiens]" . . . . . 100.00 160 97.52 98.14 1.53e-102 . . . . 15385 1 43 no GB AAH30244 . "Troponin C type 1 (slow) [Homo sapiens]" . . . . . 100.00 161 98.14 98.76 6.10e-105 . . . . 15385 1 44 no PIR TPHUCC . "troponin C, cardiac and slow skeletal muscle - human" . . . . . 100.00 161 98.14 98.76 6.10e-105 . . . . 15385 1 45 no PRF 1510257A . "troponin C" . . . . . 100.00 161 97.52 98.76 2.66e-104 . . . . 15385 1 46 no PRF 750650A . "troponin c,cardiac" . . . . . 100.00 161 97.52 98.76 2.66e-104 . . . . 15385 1 47 no REF NP_001029277 . "troponin C, slow skeletal and cardiac muscles [Rattus norvegicus]" . . . . . 100.00 161 97.52 98.76 2.29e-104 . . . . 15385 1 48 no REF NP_001029523 . "troponin C, slow skeletal and cardiac muscles [Bos taurus]" . . . . . 100.00 161 97.52 98.76 2.66e-104 . . . . 15385 1 49 no REF NP_001123715 . "troponin C, slow skeletal and cardiac muscles [Sus scrofa]" . . . . . 100.00 161 97.52 98.76 2.66e-104 . . . . 15385 1 50 no REF NP_001272501 . "troponin C, slow skeletal and cardiac muscles [Capra hircus]" . . . . . 100.00 161 97.52 98.76 2.66e-104 . . . . 15385 1 51 no REF NP_003271 . "troponin C, slow skeletal and cardiac muscles [Homo sapiens]" . . . . . 100.00 161 98.14 98.76 6.10e-105 . . . . 15385 1 52 no SP P02591 . "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" . . . . . 100.00 161 98.14 98.76 6.10e-105 . . . . 15385 1 53 no SP P19123 . "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" . . . . . 100.00 161 97.52 98.76 2.29e-104 . . . . 15385 1 54 no SP P63315 . "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" . . . . . 100.00 161 97.52 98.76 2.66e-104 . . . . 15385 1 55 no SP P63316 . "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" . . . . . 100.00 161 98.14 98.76 6.10e-105 . . . . 15385 1 56 no SP P63317 . "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" . . . . . 100.00 161 97.52 98.76 2.66e-104 . . . . 15385 1 57 no TPG DAA16908 . "TPA: troponin C, slow skeletal and cardiac muscles [Bos taurus]" . . . . . 100.00 161 97.52 98.76 2.66e-104 . . . . 15385 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'muscle contratio regulation' 15385 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15385 1 2 . ASP . 15385 1 3 . ASP . 15385 1 4 . ILE . 15385 1 5 . TYR . 15385 1 6 . LYS . 15385 1 7 . ALA . 15385 1 8 . ALA . 15385 1 9 . VAL . 15385 1 10 . GLU . 15385 1 11 . GLN . 15385 1 12 . LEU . 15385 1 13 . THR . 15385 1 14 . GLU . 15385 1 15 . GLU . 15385 1 16 . GLN . 15385 1 17 . LYS . 15385 1 18 . ASN . 15385 1 19 . GLU . 15385 1 20 . PHE . 15385 1 21 . LYS . 15385 1 22 . ALA . 15385 1 23 . ALA . 15385 1 24 . PHE . 15385 1 25 . ASP . 15385 1 26 . ILE . 15385 1 27 . PHE . 15385 1 28 . VAL . 15385 1 29 . LEU . 15385 1 30 . GLY . 15385 1 31 . ALA . 15385 1 32 . GLU . 15385 1 33 . ASP . 15385 1 34 . GLY . 15385 1 35 . SER . 15385 1 36 . ILE . 15385 1 37 . SER . 15385 1 38 . THR . 15385 1 39 . LYS . 15385 1 40 . GLU . 15385 1 41 . LEU . 15385 1 42 . GLY . 15385 1 43 . LYS . 15385 1 44 . VAL . 15385 1 45 . MET . 15385 1 46 . ARG . 15385 1 47 . MET . 15385 1 48 . LEU . 15385 1 49 . GLY . 15385 1 50 . GLN . 15385 1 51 . ASN . 15385 1 52 . PRO . 15385 1 53 . THR . 15385 1 54 . PRO . 15385 1 55 . GLU . 15385 1 56 . GLU . 15385 1 57 . LEU . 15385 1 58 . GLN . 15385 1 59 . GLU . 15385 1 60 . MET . 15385 1 61 . ILE . 15385 1 62 . ASP . 15385 1 63 . GLU . 15385 1 64 . VAL . 15385 1 65 . ASP . 15385 1 66 . GLU . 15385 1 67 . ASP . 15385 1 68 . GLY . 15385 1 69 . SER . 15385 1 70 . GLY . 15385 1 71 . THR . 15385 1 72 . VAL . 15385 1 73 . ASP . 15385 1 74 . PHE . 15385 1 75 . ASP . 15385 1 76 . GLU . 15385 1 77 . PHE . 15385 1 78 . LEU . 15385 1 79 . VAL . 15385 1 80 . MET . 15385 1 81 . MET . 15385 1 82 . VAL . 15385 1 83 . ARG . 15385 1 84 . SER . 15385 1 85 . MET . 15385 1 86 . LYS . 15385 1 87 . ASP . 15385 1 88 . ASP . 15385 1 89 . SER . 15385 1 90 . LYS . 15385 1 91 . GLY . 15385 1 92 . LYS . 15385 1 93 . SER . 15385 1 94 . GLU . 15385 1 95 . GLU . 15385 1 96 . GLU . 15385 1 97 . LEU . 15385 1 98 . SER . 15385 1 99 . ASP . 15385 1 100 . LEU . 15385 1 101 . PHE . 15385 1 102 . ARG . 15385 1 103 . MET . 15385 1 104 . TRP . 15385 1 105 . ASP . 15385 1 106 . LYS . 15385 1 107 . ASN . 15385 1 108 . ALA . 15385 1 109 . ASP . 15385 1 110 . GLY . 15385 1 111 . TYR . 15385 1 112 . ILE . 15385 1 113 . ASP . 15385 1 114 . LEU . 15385 1 115 . ASP . 15385 1 116 . GLU . 15385 1 117 . LEU . 15385 1 118 . LYS . 15385 1 119 . ILE . 15385 1 120 . MET . 15385 1 121 . LEU . 15385 1 122 . GLN . 15385 1 123 . ALA . 15385 1 124 . THR . 15385 1 125 . GLY . 15385 1 126 . GLU . 15385 1 127 . THR . 15385 1 128 . ILE . 15385 1 129 . THR . 15385 1 130 . GLU . 15385 1 131 . ASP . 15385 1 132 . ASP . 15385 1 133 . ILE . 15385 1 134 . GLU . 15385 1 135 . GLU . 15385 1 136 . LEU . 15385 1 137 . MET . 15385 1 138 . LYS . 15385 1 139 . ASP . 15385 1 140 . GLY . 15385 1 141 . ASP . 15385 1 142 . LYS . 15385 1 143 . ASN . 15385 1 144 . ASN . 15385 1 145 . ASP . 15385 1 146 . GLY . 15385 1 147 . ARG . 15385 1 148 . ILE . 15385 1 149 . ASP . 15385 1 150 . TYR . 15385 1 151 . ASP . 15385 1 152 . GLU . 15385 1 153 . PHE . 15385 1 154 . LEU . 15385 1 155 . GLU . 15385 1 156 . PHE . 15385 1 157 . MET . 15385 1 158 . LYS . 15385 1 159 . GLY . 15385 1 160 . VAL . 15385 1 161 . GLU . 15385 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 15385 1 . ASP 2 2 15385 1 . ASP 3 3 15385 1 . ILE 4 4 15385 1 . TYR 5 5 15385 1 . LYS 6 6 15385 1 . ALA 7 7 15385 1 . ALA 8 8 15385 1 . VAL 9 9 15385 1 . GLU 10 10 15385 1 . GLN 11 11 15385 1 . LEU 12 12 15385 1 . THR 13 13 15385 1 . GLU 14 14 15385 1 . GLU 15 15 15385 1 . GLN 16 16 15385 1 . LYS 17 17 15385 1 . ASN 18 18 15385 1 . GLU 19 19 15385 1 . PHE 20 20 15385 1 . LYS 21 21 15385 1 . ALA 22 22 15385 1 . ALA 23 23 15385 1 . PHE 24 24 15385 1 . ASP 25 25 15385 1 . ILE 26 26 15385 1 . PHE 27 27 15385 1 . VAL 28 28 15385 1 . LEU 29 29 15385 1 . GLY 30 30 15385 1 . ALA 31 31 15385 1 . GLU 32 32 15385 1 . ASP 33 33 15385 1 . GLY 34 34 15385 1 . SER 35 35 15385 1 . ILE 36 36 15385 1 . SER 37 37 15385 1 . THR 38 38 15385 1 . LYS 39 39 15385 1 . GLU 40 40 15385 1 . LEU 41 41 15385 1 . GLY 42 42 15385 1 . LYS 43 43 15385 1 . VAL 44 44 15385 1 . MET 45 45 15385 1 . ARG 46 46 15385 1 . MET 47 47 15385 1 . LEU 48 48 15385 1 . GLY 49 49 15385 1 . GLN 50 50 15385 1 . ASN 51 51 15385 1 . PRO 52 52 15385 1 . THR 53 53 15385 1 . PRO 54 54 15385 1 . GLU 55 55 15385 1 . GLU 56 56 15385 1 . LEU 57 57 15385 1 . GLN 58 58 15385 1 . GLU 59 59 15385 1 . MET 60 60 15385 1 . ILE 61 61 15385 1 . ASP 62 62 15385 1 . GLU 63 63 15385 1 . VAL 64 64 15385 1 . ASP 65 65 15385 1 . GLU 66 66 15385 1 . ASP 67 67 15385 1 . GLY 68 68 15385 1 . SER 69 69 15385 1 . GLY 70 70 15385 1 . THR 71 71 15385 1 . VAL 72 72 15385 1 . ASP 73 73 15385 1 . PHE 74 74 15385 1 . ASP 75 75 15385 1 . GLU 76 76 15385 1 . PHE 77 77 15385 1 . LEU 78 78 15385 1 . VAL 79 79 15385 1 . MET 80 80 15385 1 . MET 81 81 15385 1 . VAL 82 82 15385 1 . ARG 83 83 15385 1 . SER 84 84 15385 1 . MET 85 85 15385 1 . LYS 86 86 15385 1 . ASP 87 87 15385 1 . ASP 88 88 15385 1 . SER 89 89 15385 1 . LYS 90 90 15385 1 . GLY 91 91 15385 1 . LYS 92 92 15385 1 . SER 93 93 15385 1 . GLU 94 94 15385 1 . GLU 95 95 15385 1 . GLU 96 96 15385 1 . LEU 97 97 15385 1 . SER 98 98 15385 1 . ASP 99 99 15385 1 . LEU 100 100 15385 1 . PHE 101 101 15385 1 . ARG 102 102 15385 1 . MET 103 103 15385 1 . TRP 104 104 15385 1 . ASP 105 105 15385 1 . LYS 106 106 15385 1 . ASN 107 107 15385 1 . ALA 108 108 15385 1 . ASP 109 109 15385 1 . GLY 110 110 15385 1 . TYR 111 111 15385 1 . ILE 112 112 15385 1 . ASP 113 113 15385 1 . LEU 114 114 15385 1 . ASP 115 115 15385 1 . GLU 116 116 15385 1 . LEU 117 117 15385 1 . LYS 118 118 15385 1 . ILE 119 119 15385 1 . MET 120 120 15385 1 . LEU 121 121 15385 1 . GLN 122 122 15385 1 . ALA 123 123 15385 1 . THR 124 124 15385 1 . GLY 125 125 15385 1 . GLU 126 126 15385 1 . THR 127 127 15385 1 . ILE 128 128 15385 1 . THR 129 129 15385 1 . GLU 130 130 15385 1 . ASP 131 131 15385 1 . ASP 132 132 15385 1 . ILE 133 133 15385 1 . GLU 134 134 15385 1 . GLU 135 135 15385 1 . LEU 136 136 15385 1 . MET 137 137 15385 1 . LYS 138 138 15385 1 . ASP 139 139 15385 1 . GLY 140 140 15385 1 . ASP 141 141 15385 1 . LYS 142 142 15385 1 . ASN 143 143 15385 1 . ASN 144 144 15385 1 . ASP 145 145 15385 1 . GLY 146 146 15385 1 . ARG 147 147 15385 1 . ILE 148 148 15385 1 . ASP 149 149 15385 1 . TYR 150 150 15385 1 . ASP 151 151 15385 1 . GLU 152 152 15385 1 . PHE 153 153 15385 1 . LEU 154 154 15385 1 . GLU 155 155 15385 1 . PHE 156 156 15385 1 . MET 157 157 15385 1 . LYS 158 158 15385 1 . GLY 159 159 15385 1 . VAL 160 160 15385 1 . GLU 161 161 15385 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 15385 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _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 . _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CA . 15385 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 15385 _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 $F104W . 9606 organism . 'Homo sapiens' . . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15385 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 15385 _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 $F104W . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 BL21(DE3)pLysS . . . . . . . . . . . . . . pET-21 . . . . . . 15385 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 15385 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 21 18:50:00 2007 ; _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 [Ca++] SMILES_CANONICAL CACTVS 2.87 15385 CA [Ca+2] SMILES OpenEye/OEToolkits 1.4.2 15385 CA [Ca+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15385 CA InChI=1/Ca/q+2 INCHI InChi 1 15385 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(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15385 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . N . 2 . . . . no no . . . . . . . . . . . . . . . 15385 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15385 _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 F104W '[U-100% 13C; U-100% 15N]' . . 1 $F104W . . 1.0 . . mM 0.2 . . . 15385 1 2 Calcium 'natural abundance' . . . . . . 10 . . mM 1 . . . 15385 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM 10 . . . 15385 1 4 H2O . . . . . . . 90 . . % . . . . 15385 1 5 D2O . . . . . . . 10 . . % . . . . 15385 1 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 15385 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 0.01 M 15385 1 pH 6.7 0.2 pH 15385 1 pressure 1 . atm 15385 1 temperature 303 0.5 K 15385 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15385 _Software.ID 1 _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' . . 15385 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15385 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15385 _Software.ID 2 _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' . . 15385 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15385 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15385 _Software.ID 3 _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' . . 15385 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15385 3 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 15385 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15385 _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 . 600 . . . 15385 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 15385 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15385 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15385 1 3 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15385 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15385 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15385 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15385 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 15385 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.25144953 . . . . . . . . . 15385 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 15385 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 15385 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 15385 _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 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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' . . . 15385 1 4 '3D HNCACB' . . . 15385 1 5 '3D CBCA(CO)NH' . . . 15385 1 6 '3D HCCH-TOCSY' . . . 15385 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ASP H H 1 8.550 0.03 . 1 . . . . 3 D HN . 15385 1 2 . 1 1 3 3 ASP HA H 1 4.461 0.03 . 1 . . . . 3 D HA . 15385 1 3 . 1 1 3 3 ASP HB2 H 1 2.653 0.03 . 2 . . . . 3 D HB1 . 15385 1 4 . 1 1 3 3 ASP HB3 H 1 2.697 0.03 . 2 . . . . 3 D HB2 . 15385 1 5 . 1 1 3 3 ASP CA C 13 56.250 0.5 . 1 . . . . 3 D CA . 15385 1 6 . 1 1 3 3 ASP CB C 13 41.220 0.5 . 1 . . . . 3 D CB . 15385 1 7 . 1 1 3 3 ASP N N 15 122.990 0.4 . 1 . . . . 3 D N . 15385 1 8 . 1 1 4 4 ILE H H 1 8.270 0.03 . 1 . . . . 4 I HN . 15385 1 9 . 1 1 4 4 ILE HA H 1 3.918 0.03 . 1 . . . . 4 I HA . 15385 1 10 . 1 1 4 4 ILE HB H 1 1.651 0.03 . 1 . . . . 4 I HB . 15385 1 11 . 1 1 4 4 ILE HD11 H 1 0.690 0.03 . 1 . . . . 4 I HD1 . 15385 1 12 . 1 1 4 4 ILE HD12 H 1 0.690 0.03 . 1 . . . . 4 I HD1 . 15385 1 13 . 1 1 4 4 ILE HD13 H 1 0.690 0.03 . 1 . . . . 4 I HD1 . 15385 1 14 . 1 1 4 4 ILE HG12 H 1 0.948 0.03 . 1 . . . . 4 I HG11 . 15385 1 15 . 1 1 4 4 ILE HG13 H 1 0.948 0.03 . 1 . . . . 4 I HG12 . 15385 1 16 . 1 1 4 4 ILE HG21 H 1 0.568 0.03 . 1 . . . . 4 I HG2 . 15385 1 17 . 1 1 4 4 ILE HG22 H 1 0.568 0.03 . 1 . . . . 4 I HG2 . 15385 1 18 . 1 1 4 4 ILE HG23 H 1 0.568 0.03 . 1 . . . . 4 I HG2 . 15385 1 19 . 1 1 4 4 ILE CA C 13 63.700 0.5 . 1 . . . . 4 I CA . 15385 1 20 . 1 1 4 4 ILE CB C 13 37.700 0.5 . 1 . . . . 4 I CB . 15385 1 21 . 1 1 4 4 ILE CD1 C 13 13.340 0.5 . 1 . . . . 4 I CD1 . 15385 1 22 . 1 1 4 4 ILE CG1 C 13 27.090 0.5 . 1 . . . . 4 I CG1 . 15385 1 23 . 1 1 4 4 ILE CG2 C 13 17.090 0.5 . 1 . . . . 4 I CG2 . 15385 1 24 . 1 1 4 4 ILE N N 15 119.330 0.4 . 1 . . . . 4 I N . 15385 1 25 . 1 1 5 5 TYR H H 1 7.610 0.03 . 1 . . . . 5 Y HN . 15385 1 26 . 1 1 5 5 TYR HA H 1 4.484 0.03 . 1 . . . . 5 Y HA . 15385 1 27 . 1 1 5 5 TYR HB2 H 1 2.885 0.03 . 2 . . . . 5 Y HB1 . 15385 1 28 . 1 1 5 5 TYR HB3 H 1 3.109 0.03 . 2 . . . . 5 Y HB2 . 15385 1 29 . 1 1 5 5 TYR HD1 H 1 7.078 0.03 . 3 . . . . 5 Y HD1 . 15385 1 30 . 1 1 5 5 TYR HE1 H 1 6.809 0.03 . 3 . . . . 5 Y HE1 . 15385 1 31 . 1 1 5 5 TYR CA C 13 59.590 0.5 . 1 . . . . 5 Y CA . 15385 1 32 . 1 1 5 5 TYR CB C 13 37.860 0.5 . 1 . . . . 5 Y CB . 15385 1 33 . 1 1 5 5 TYR CD1 C 13 132.610 0.5 . 3 . . . . 5 Y CD1 . 15385 1 34 . 1 1 5 5 TYR CE1 C 13 118.550 0.5 . 3 . . . . 5 Y CE1 . 15385 1 35 . 1 1 5 5 TYR N N 15 120.760 0.4 . 1 . . . . 5 Y N . 15385 1 36 . 1 1 6 6 LYS H H 1 7.860 0.03 . 1 . . . . 6 K HN . 15385 1 37 . 1 1 6 6 LYS HA H 1 3.994 0.03 . 1 . . . . 6 K HA . 15385 1 38 . 1 1 6 6 LYS HB2 H 1 1.857 0.03 . 2 . . . . 6 K HB1 . 15385 1 39 . 1 1 6 6 LYS HB3 H 1 1.857 0.03 . 2 . . . . 6 K HB2 . 15385 1 40 . 1 1 6 6 LYS HD2 H 1 1.704 0.03 . 2 . . . . 6 K HD1 . 15385 1 41 . 1 1 6 6 LYS HD3 H 1 1.704 0.03 . 2 . . . . 6 K HD2 . 15385 1 42 . 1 1 6 6 LYS HE2 H 1 2.996 0.03 . 2 . . . . 6 K HE1 . 15385 1 43 . 1 1 6 6 LYS HE3 H 1 2.996 0.03 . 2 . . . . 6 K HE2 . 15385 1 44 . 1 1 6 6 LYS HG2 H 1 1.395 0.03 . 2 . . . . 6 K HG1 . 15385 1 45 . 1 1 6 6 LYS HG3 H 1 1.505 0.03 . 2 . . . . 6 K HG2 . 15385 1 46 . 1 1 6 6 LYS CA C 13 59.570 0.5 . 1 . . . . 6 K CA . 15385 1 47 . 1 1 6 6 LYS CB C 13 32.520 0.5 . 1 . . . . 6 K CB . 15385 1 48 . 1 1 6 6 LYS CD C 13 29.340 0.5 . 1 . . . . 6 K CD . 15385 1 49 . 1 1 6 6 LYS CE C 13 42.000 0.5 . 1 . . . . 6 K CE . 15385 1 50 . 1 1 6 6 LYS CG C 13 25.210 0.5 . 1 . . . . 6 K CG . 15385 1 51 . 1 1 6 6 LYS N N 15 120.700 0.4 . 1 . . . . 6 K N . 15385 1 52 . 1 1 7 7 ALA H H 1 7.930 0.03 . 1 . . . . 7 A HN . 15385 1 53 . 1 1 7 7 ALA HA H 1 4.162 0.03 . 1 . . . . 7 A HA . 15385 1 54 . 1 1 7 7 ALA HB1 H 1 1.405 0.03 . 1 . . . . 7 A HB . 15385 1 55 . 1 1 7 7 ALA HB2 H 1 1.405 0.03 . 1 . . . . 7 A HB . 15385 1 56 . 1 1 7 7 ALA HB3 H 1 1.405 0.03 . 1 . . . . 7 A HB . 15385 1 57 . 1 1 7 7 ALA CA C 13 54.500 0.5 . 1 . . . . 7 A CA . 15385 1 58 . 1 1 7 7 ALA CB C 13 18.000 0.5 . 1 . . . . 7 A CB . 15385 1 59 . 1 1 7 7 ALA N N 15 120.270 0.4 . 1 . . . . 7 A N . 15385 1 60 . 1 1 8 8 ALA H H 1 7.520 0.03 . 1 . . . . 8 A HN . 15385 1 61 . 1 1 8 8 ALA HA H 1 4.190 0.03 . 1 . . . . 8 A HA . 15385 1 62 . 1 1 8 8 ALA HB1 H 1 1.559 0.03 . 1 . . . . 8 A HB . 15385 1 63 . 1 1 8 8 ALA HB2 H 1 1.559 0.03 . 1 . . . . 8 A HB . 15385 1 64 . 1 1 8 8 ALA HB3 H 1 1.559 0.03 . 1 . . . . 8 A HB . 15385 1 65 . 1 1 8 8 ALA CA C 13 54.580 0.5 . 1 . . . . 8 A CA . 15385 1 66 . 1 1 8 8 ALA CB C 13 18.440 0.5 . 1 . . . . 8 A CB . 15385 1 67 . 1 1 8 8 ALA N N 15 119.950 0.4 . 1 . . . . 8 A N . 15385 1 68 . 1 1 9 9 VAL H H 1 8.110 0.03 . 1 . . . . 9 V HN . 15385 1 69 . 1 1 9 9 VAL HA H 1 3.595 0.03 . 1 . . . . 9 V HA . 15385 1 70 . 1 1 9 9 VAL HB H 1 2.207 0.03 . 1 . . . . 9 V HB . 15385 1 71 . 1 1 9 9 VAL HG11 H 1 0.998 0.03 . 2 . . . . 9 V HG1 . 15385 1 72 . 1 1 9 9 VAL HG12 H 1 0.998 0.03 . 2 . . . . 9 V HG1 . 15385 1 73 . 1 1 9 9 VAL HG13 H 1 0.998 0.03 . 2 . . . . 9 V HG1 . 15385 1 74 . 1 1 9 9 VAL HG21 H 1 0.938 0.03 . 2 . . . . 9 V HG2 . 15385 1 75 . 1 1 9 9 VAL HG22 H 1 0.938 0.03 . 2 . . . . 9 V HG2 . 15385 1 76 . 1 1 9 9 VAL HG23 H 1 0.938 0.03 . 2 . . . . 9 V HG2 . 15385 1 77 . 1 1 9 9 VAL CA C 13 66.140 0.5 . 1 . . . . 9 V CA . 15385 1 78 . 1 1 9 9 VAL CB C 13 31.870 0.5 . 1 . . . . 9 V CB . 15385 1 79 . 1 1 9 9 VAL CG1 C 13 23.350 0.5 . 2 . . . . 9 V CG1 . 15385 1 80 . 1 1 9 9 VAL CG2 C 13 22.010 0.5 . 2 . . . . 9 V CG2 . 15385 1 81 . 1 1 9 9 VAL N N 15 119.080 0.4 . 1 . . . . 9 V N . 15385 1 82 . 1 1 10 10 GLU H H 1 7.810 0.03 . 1 . . . . 10 E HN . 15385 1 83 . 1 1 10 10 GLU HA H 1 4.035 0.03 . 1 . . . . 10 E HA . 15385 1 84 . 1 1 10 10 GLU HB2 H 1 2.130 0.03 . 2 . . . . 10 E HB1 . 15385 1 85 . 1 1 10 10 GLU HB3 H 1 2.130 0.03 . 2 . . . . 10 E HB2 . 15385 1 86 . 1 1 10 10 GLU HG2 H 1 2.339 0.03 . 2 . . . . 10 E HG1 . 15385 1 87 . 1 1 10 10 GLU HG3 H 1 2.415 0.03 . 2 . . . . 10 E HG2 . 15385 1 88 . 1 1 10 10 GLU CA C 13 58.220 0.5 . 1 . . . . 10 E CA . 15385 1 89 . 1 1 10 10 GLU CB C 13 29.360 0.5 . 1 . . . . 10 E CB . 15385 1 90 . 1 1 10 10 GLU CG C 13 36.490 0.5 . 1 . . . . 10 E CG . 15385 1 91 . 1 1 10 10 GLU N N 15 118.660 0.4 . 1 . . . . 10 E N . 15385 1 92 . 1 1 11 11 GLN H H 1 7.370 0.03 . 1 . . . . 11 Q HN . 15385 1 93 . 1 1 11 11 GLN HA H 1 4.275 0.03 . 1 . . . . 11 Q HA . 15385 1 94 . 1 1 11 11 GLN HB2 H 1 2.322 0.03 . 2 . . . . 11 Q HB1 . 15385 1 95 . 1 1 11 11 GLN HB3 H 1 2.053 0.03 . 2 . . . . 11 Q HB2 . 15385 1 96 . 1 1 11 11 GLN HG2 H 1 2.492 0.03 . 2 . . . . 11 Q HG1 . 15385 1 97 . 1 1 11 11 GLN HG3 H 1 2.492 0.03 . 2 . . . . 11 Q HG2 . 15385 1 98 . 1 1 11 11 GLN CA C 13 55.610 0.5 . 1 . . . . 11 Q CA . 15385 1 99 . 1 1 11 11 GLN CB C 13 29.410 0.5 . 1 . . . . 11 Q CB . 15385 1 100 . 1 1 11 11 GLN CG C 13 34.180 0.5 . 1 . . . . 11 Q CG . 15385 1 101 . 1 1 11 11 GLN N N 15 114.850 0.4 . 1 . . . . 11 Q N . 15385 1 102 . 1 1 12 12 LEU H H 1 7.340 0.03 . 1 . . . . 12 L HN . 15385 1 103 . 1 1 12 12 LEU HA H 1 4.497 0.03 . 1 . . . . 12 L HA . 15385 1 104 . 1 1 12 12 LEU HB2 H 1 1.919 0.03 . 2 . . . . 12 L HB1 . 15385 1 105 . 1 1 12 12 LEU HB3 H 1 1.365 0.03 . 2 . . . . 12 L HB2 . 15385 1 106 . 1 1 12 12 LEU HD11 H 1 0.976 0.03 . 2 . . . . 12 L HD1 . 15385 1 107 . 1 1 12 12 LEU HD12 H 1 0.976 0.03 . 2 . . . . 12 L HD1 . 15385 1 108 . 1 1 12 12 LEU HD13 H 1 0.976 0.03 . 2 . . . . 12 L HD1 . 15385 1 109 . 1 1 12 12 LEU HD21 H 1 0.898 0.03 . 2 . . . . 12 L HD2 . 15385 1 110 . 1 1 12 12 LEU HD22 H 1 0.898 0.03 . 2 . . . . 12 L HD2 . 15385 1 111 . 1 1 12 12 LEU HD23 H 1 0.898 0.03 . 2 . . . . 12 L HD2 . 15385 1 112 . 1 1 12 12 LEU HG H 1 2.115 0.03 . 1 . . . . 12 L HG . 15385 1 113 . 1 1 12 12 LEU CA C 13 55.100 0.5 . 1 . . . . 12 L CA . 15385 1 114 . 1 1 12 12 LEU CB C 13 43.130 0.5 . 1 . . . . 12 L CB . 15385 1 115 . 1 1 12 12 LEU CD1 C 13 27.400 0.5 . 2 . . . . 12 L CD1 . 15385 1 116 . 1 1 12 12 LEU CD2 C 13 23.080 0.5 . 2 . . . . 12 L CD2 . 15385 1 117 . 1 1 12 12 LEU CG C 13 26.470 0.5 . 1 . . . . 12 L CG . 15385 1 118 . 1 1 12 12 LEU N N 15 120.720 0.4 . 1 . . . . 12 L N . 15385 1 119 . 1 1 13 13 THR H H 1 8.900 0.03 . 1 . . . . 13 T HN . 15385 1 120 . 1 1 13 13 THR HA H 1 4.419 0.03 . 1 . . . . 13 T HA . 15385 1 121 . 1 1 13 13 THR HB H 1 4.813 0.03 . 1 . . . . 13 T HB . 15385 1 122 . 1 1 13 13 THR HG21 H 1 1.391 0.03 . 1 . . . . 13 T HG2 . 15385 1 123 . 1 1 13 13 THR HG22 H 1 1.391 0.03 . 1 . . . . 13 T HG2 . 15385 1 124 . 1 1 13 13 THR HG23 H 1 1.391 0.03 . 1 . . . . 13 T HG2 . 15385 1 125 . 1 1 13 13 THR CA C 13 60.690 0.5 . 1 . . . . 13 T CA . 15385 1 126 . 1 1 13 13 THR CB C 13 71.060 0.5 . 1 . . . . 13 T CB . 15385 1 127 . 1 1 13 13 THR CG2 C 13 21.930 0.5 . 1 . . . . 13 T CG2 . 15385 1 128 . 1 1 13 13 THR N N 15 113.850 0.4 . 1 . . . . 13 T N . 15385 1 129 . 1 1 14 14 GLU H H 1 8.900 0.03 . 1 . . . . 14 E HN . 15385 1 130 . 1 1 14 14 GLU HA H 1 3.964 0.03 . 1 . . . . 14 E HA . 15385 1 131 . 1 1 14 14 GLU HB2 H 1 2.078 0.03 . 2 . . . . 14 E HB1 . 15385 1 132 . 1 1 14 14 GLU HB3 H 1 2.078 0.03 . 2 . . . . 14 E HB2 . 15385 1 133 . 1 1 14 14 GLU HG2 H 1 2.360 0.03 . 2 . . . . 14 E HG1 . 15385 1 134 . 1 1 14 14 GLU HG3 H 1 2.360 0.03 . 2 . . . . 14 E HG2 . 15385 1 135 . 1 1 14 14 GLU CA C 13 59.700 0.5 . 1 . . . . 14 E CA . 15385 1 136 . 1 1 14 14 GLU CB C 13 29.300 0.5 . 1 . . . . 14 E CB . 15385 1 137 . 1 1 14 14 GLU CG C 13 36.510 0.5 . 1 . . . . 14 E CG . 15385 1 138 . 1 1 14 14 GLU N N 15 121.500 0.4 . 1 . . . . 14 E N . 15385 1 139 . 1 1 15 15 GLU H H 1 8.500 0.03 . 1 . . . . 15 E HN . 15385 1 140 . 1 1 15 15 GLU HA H 1 4.028 0.03 . 1 . . . . 15 E HA . 15385 1 141 . 1 1 15 15 GLU HB2 H 1 2.052 0.03 . 2 . . . . 15 E HB1 . 15385 1 142 . 1 1 15 15 GLU HB3 H 1 1.934 0.03 . 2 . . . . 15 E HB2 . 15385 1 143 . 1 1 15 15 GLU HG2 H 1 2.461 0.03 . 2 . . . . 15 E HG1 . 15385 1 144 . 1 1 15 15 GLU HG3 H 1 2.273 0.03 . 2 . . . . 15 E HG2 . 15385 1 145 . 1 1 15 15 GLU CA C 13 60.100 0.5 . 1 . . . . 15 E CA . 15385 1 146 . 1 1 15 15 GLU CB C 13 29.200 0.5 . 1 . . . . 15 E CB . 15385 1 147 . 1 1 15 15 GLU CG C 13 36.610 0.5 . 1 . . . . 15 E CG . 15385 1 148 . 1 1 15 15 GLU N N 15 117.700 0.4 . 1 . . . . 15 E N . 15385 1 149 . 1 1 16 16 GLN H H 1 7.800 0.03 . 1 . . . . 16 Q HN . 15385 1 150 . 1 1 16 16 GLN HA H 1 3.791 0.03 . 1 . . . . 16 Q HA . 15385 1 151 . 1 1 16 16 GLN HB2 H 1 1.483 0.03 . 2 . . . . 16 Q HB1 . 15385 1 152 . 1 1 16 16 GLN HB3 H 1 1.483 0.03 . 2 . . . . 16 Q HB2 . 15385 1 153 . 1 1 16 16 GLN HG2 H 1 2.207 0.03 . 2 . . . . 16 Q HG1 . 15385 1 154 . 1 1 16 16 GLN HG3 H 1 2.286 0.03 . 2 . . . . 16 Q HG2 . 15385 1 155 . 1 1 16 16 GLN CA C 13 58.900 0.5 . 1 . . . . 16 Q CA . 15385 1 156 . 1 1 16 16 GLN CB C 13 29.600 0.5 . 1 . . . . 16 Q CB . 15385 1 157 . 1 1 16 16 GLN CG C 13 34.920 0.5 . 1 . . . . 16 Q CG . 15385 1 158 . 1 1 16 16 GLN N N 15 119.400 0.4 . 1 . . . . 16 Q N . 15385 1 159 . 1 1 17 17 LYS H H 1 8.360 0.03 . 1 . . . . 17 K HN . 15385 1 160 . 1 1 17 17 LYS HA H 1 3.847 0.03 . 1 . . . . 17 K HA . 15385 1 161 . 1 1 17 17 LYS HB2 H 1 1.974 0.03 . 2 . . . . 17 K HB1 . 15385 1 162 . 1 1 17 17 LYS HB3 H 1 1.974 0.03 . 2 . . . . 17 K HB2 . 15385 1 163 . 1 1 17 17 LYS HD2 H 1 1.691 0.03 . 2 . . . . 17 K HD1 . 15385 1 164 . 1 1 17 17 LYS HD3 H 1 1.760 0.03 . 2 . . . . 17 K HD2 . 15385 1 165 . 1 1 17 17 LYS HE2 H 1 2.859 0.03 . 2 . . . . 17 K HE1 . 15385 1 166 . 1 1 17 17 LYS HE3 H 1 2.859 0.03 . 2 . . . . 17 K HE2 . 15385 1 167 . 1 1 17 17 LYS HG2 H 1 1.419 0.03 . 2 . . . . 17 K HG1 . 15385 1 168 . 1 1 17 17 LYS HG3 H 1 1.419 0.03 . 2 . . . . 17 K HG2 . 15385 1 169 . 1 1 17 17 LYS CA C 13 61.590 0.5 . 1 . . . . 17 K CA . 15385 1 170 . 1 1 17 17 LYS CB C 13 32.020 0.5 . 1 . . . . 17 K CB . 15385 1 171 . 1 1 17 17 LYS CD C 13 29.400 0.5 . 1 . . . . 17 K CD . 15385 1 172 . 1 1 17 17 LYS CE C 13 42.050 0.5 . 1 . . . . 17 K CE . 15385 1 173 . 1 1 17 17 LYS CG C 13 27.280 0.5 . 1 . . . . 17 K CG . 15385 1 174 . 1 1 17 17 LYS N N 15 117.970 0.4 . 1 . . . . 17 K N . 15385 1 175 . 1 1 18 18 ASN H H 1 8.490 0.03 . 1 . . . . 18 N HN . 15385 1 176 . 1 1 18 18 ASN HA H 1 4.527 0.03 . 1 . . . . 18 N HA . 15385 1 177 . 1 1 18 18 ASN HB2 H 1 2.802 0.03 . 2 . . . . 18 N HB1 . 15385 1 178 . 1 1 18 18 ASN HB3 H 1 2.956 0.03 . 2 . . . . 18 N HB2 . 15385 1 179 . 1 1 18 18 ASN CA C 13 55.890 0.5 . 1 . . . . 18 N CA . 15385 1 180 . 1 1 18 18 ASN CB C 13 37.790 0.5 . 1 . . . . 18 N CB . 15385 1 181 . 1 1 18 18 ASN N N 15 117.440 0.4 . 1 . . . . 18 N N . 15385 1 182 . 1 1 19 19 GLU H H 1 8.010 0.03 . 1 . . . . 19 E HN . 15385 1 183 . 1 1 19 19 GLU HA H 1 4.171 0.03 . 1 . . . . 19 E HA . 15385 1 184 . 1 1 19 19 GLU HB2 H 1 2.007 0.03 . 2 . . . . 19 E HB1 . 15385 1 185 . 1 1 19 19 GLU HB3 H 1 2.089 0.03 . 2 . . . . 19 E HB2 . 15385 1 186 . 1 1 19 19 GLU HG2 H 1 2.415 0.03 . 2 . . . . 19 E HG1 . 15385 1 187 . 1 1 19 19 GLU HG3 H 1 2.224 0.03 . 2 . . . . 19 E HG2 . 15385 1 188 . 1 1 19 19 GLU CA C 13 59.460 0.5 . 1 . . . . 19 E CA . 15385 1 189 . 1 1 19 19 GLU CB C 13 29.160 0.5 . 1 . . . . 19 E CB . 15385 1 190 . 1 1 19 19 GLU CG C 13 36.020 0.5 . 1 . . . . 19 E CG . 15385 1 191 . 1 1 19 19 GLU N N 15 123.290 0.4 . 1 . . . . 19 E N . 15385 1 192 . 1 1 20 20 PHE H H 1 8.490 0.03 . 1 . . . . 20 F HN . 15385 1 193 . 1 1 20 20 PHE HA H 1 5.028 0.03 . 1 . . . . 20 F HA . 15385 1 194 . 1 1 20 20 PHE HB2 H 1 3.503 0.03 . 2 . . . . 20 F HB1 . 15385 1 195 . 1 1 20 20 PHE HB3 H 1 3.549 0.03 . 2 . . . . 20 F HB2 . 15385 1 196 . 1 1 20 20 PHE HD1 H 1 7.167 0.03 . 3 . . . . 20 F HD1 . 15385 1 197 . 1 1 20 20 PHE HE1 H 1 7.284 0.03 . 3 . . . . 20 F HE1 . 15385 1 198 . 1 1 20 20 PHE CA C 13 58.270 0.5 . 1 . . . . 20 F CA . 15385 1 199 . 1 1 20 20 PHE CB C 13 37.390 0.5 . 1 . . . . 20 F CB . 15385 1 200 . 1 1 20 20 PHE CD1 C 13 130.270 0.5 . 3 . . . . 20 F CD1 . 15385 1 201 . 1 1 20 20 PHE CE1 C 13 130.270 0.5 . 3 . . . . 20 F CE1 . 15385 1 202 . 1 1 20 20 PHE N N 15 119.350 0.4 . 1 . . . . 20 F N . 15385 1 203 . 1 1 21 21 LYS H H 1 8.900 0.03 . 1 . . . . 21 K HN . 15385 1 204 . 1 1 21 21 LYS HA H 1 3.945 0.03 . 1 . . . . 21 K HA . 15385 1 205 . 1 1 21 21 LYS HB2 H 1 1.775 0.03 . 2 . . . . 21 K HB1 . 15385 1 206 . 1 1 21 21 LYS HB3 H 1 1.980 0.03 . 2 . . . . 21 K HB2 . 15385 1 207 . 1 1 21 21 LYS HD2 H 1 0.651 0.03 . 2 . . . . 21 K HD1 . 15385 1 208 . 1 1 21 21 LYS HD3 H 1 1.372 0.03 . 2 . . . . 21 K HD2 . 15385 1 209 . 1 1 21 21 LYS HE2 H 1 2.688 0.03 . 2 . . . . 21 K HE1 . 15385 1 210 . 1 1 21 21 LYS HE3 H 1 2.688 0.03 . 2 . . . . 21 K HE2 . 15385 1 211 . 1 1 21 21 LYS HG2 H 1 1.242 0.03 . 2 . . . . 21 K HG1 . 15385 1 212 . 1 1 21 21 LYS HG3 H 1 1.020 0.03 . 2 . . . . 21 K HG2 . 15385 1 213 . 1 1 21 21 LYS CA C 13 58.860 0.5 . 1 . . . . 21 K CA . 15385 1 214 . 1 1 21 21 LYS CB C 13 32.250 0.5 . 1 . . . . 21 K CB . 15385 1 215 . 1 1 21 21 LYS CD C 13 27.610 0.5 . 1 . . . . 21 K CD . 15385 1 216 . 1 1 21 21 LYS CE C 13 42.090 0.5 . 1 . . . . 21 K CE . 15385 1 217 . 1 1 21 21 LYS CG C 13 24.390 0.5 . 1 . . . . 21 K CG . 15385 1 218 . 1 1 21 21 LYS N N 15 121.830 0.4 . 1 . . . . 21 K N . 15385 1 219 . 1 1 22 22 ALA H H 1 7.870 0.03 . 1 . . . . 22 A HN . 15385 1 220 . 1 1 22 22 ALA HA H 1 4.160 0.03 . 1 . . . . 22 A HA . 15385 1 221 . 1 1 22 22 ALA HB1 H 1 1.520 0.03 . 1 . . . . 22 A HB . 15385 1 222 . 1 1 22 22 ALA HB2 H 1 1.520 0.03 . 1 . . . . 22 A HB . 15385 1 223 . 1 1 22 22 ALA HB3 H 1 1.520 0.03 . 1 . . . . 22 A HB . 15385 1 224 . 1 1 22 22 ALA CA C 13 54.710 0.5 . 1 . . . . 22 A CA . 15385 1 225 . 1 1 22 22 ALA CB C 13 17.910 0.5 . 1 . . . . 22 A CB . 15385 1 226 . 1 1 22 22 ALA N N 15 120.120 0.4 . 1 . . . . 22 A N . 15385 1 227 . 1 1 23 23 ALA H H 1 7.460 0.03 . 1 . . . . 23 A HN . 15385 1 228 . 1 1 23 23 ALA HA H 1 4.251 0.03 . 1 . . . . 23 A HA . 15385 1 229 . 1 1 23 23 ALA HB1 H 1 1.773 0.03 . 1 . . . . 23 A HB . 15385 1 230 . 1 1 23 23 ALA HB2 H 1 1.773 0.03 . 1 . . . . 23 A HB . 15385 1 231 . 1 1 23 23 ALA HB3 H 1 1.773 0.03 . 1 . . . . 23 A HB . 15385 1 232 . 1 1 23 23 ALA CA C 13 54.700 0.5 . 1 . . . . 23 A CA . 15385 1 233 . 1 1 23 23 ALA CB C 13 18.710 0.5 . 1 . . . . 23 A CB . 15385 1 234 . 1 1 23 23 ALA N N 15 118.960 0.4 . 1 . . . . 23 A N . 15385 1 235 . 1 1 24 24 PHE H H 1 8.370 0.03 . 1 . . . . 24 F HN . 15385 1 236 . 1 1 24 24 PHE HA H 1 3.609 0.03 . 1 . . . . 24 F HA . 15385 1 237 . 1 1 24 24 PHE HB2 H 1 2.770 0.03 . 2 . . . . 24 F HB1 . 15385 1 238 . 1 1 24 24 PHE HB3 H 1 3.181 0.03 . 2 . . . . 24 F HB2 . 15385 1 239 . 1 1 24 24 PHE HD1 H 1 6.595 0.03 . 3 . . . . 24 F HD1 . 15385 1 240 . 1 1 24 24 PHE HE1 H 1 7.159 0.03 . 3 . . . . 24 F HE1 . 15385 1 241 . 1 1 24 24 PHE HZ H 1 7.542 0.03 . 1 . . . . 24 F HZ . 15385 1 242 . 1 1 24 24 PHE CA C 13 62.200 0.5 . 1 . . . . 24 F CA . 15385 1 243 . 1 1 24 24 PHE CB C 13 40.360 0.5 . 1 . . . . 24 F CB . 15385 1 244 . 1 1 24 24 PHE CD1 C 13 132.050 0.5 . 3 . . . . 24 F CD1 . 15385 1 245 . 1 1 24 24 PHE CE1 C 13 131.505 0.5 . 3 . . . . 24 F CE1 . 15385 1 246 . 1 1 24 24 PHE CZ C 13 130.211 0.5 . 1 . . . . 24 F CZ . 15385 1 247 . 1 1 24 24 PHE N N 15 119.340 0.4 . 1 . . . . 24 F N . 15385 1 248 . 1 1 25 25 ASP H H 1 8.730 0.03 . 1 . . . . 25 D HN . 15385 1 249 . 1 1 25 25 ASP HA H 1 4.349 0.03 . 1 . . . . 25 D HA . 15385 1 250 . 1 1 25 25 ASP HB2 H 1 2.687 0.03 . 2 . . . . 25 D HB1 . 15385 1 251 . 1 1 25 25 ASP HB3 H 1 2.509 0.03 . 2 . . . . 25 D HB2 . 15385 1 252 . 1 1 25 25 ASP CA C 13 56.690 0.5 . 1 . . . . 25 D CA . 15385 1 253 . 1 1 25 25 ASP CB C 13 40.240 0.5 . 1 . . . . 25 D CB . 15385 1 254 . 1 1 25 25 ASP N N 15 115.790 0.4 . 1 . . . . 25 D N . 15385 1 255 . 1 1 26 26 ILE H H 1 7.240 0.03 . 1 . . . . 26 I HN . 15385 1 256 . 1 1 26 26 ILE HA H 1 3.662 0.03 . 1 . . . . 26 I HA . 15385 1 257 . 1 1 26 26 ILE HB H 1 1.786 0.03 . 1 . . . . 26 I HB . 15385 1 258 . 1 1 26 26 ILE HD11 H 1 0.809 0.03 . 1 . . . . 26 I HD1 . 15385 1 259 . 1 1 26 26 ILE HD12 H 1 0.809 0.03 . 1 . . . . 26 I HD1 . 15385 1 260 . 1 1 26 26 ILE HD13 H 1 0.809 0.03 . 1 . . . . 26 I HD1 . 15385 1 261 . 1 1 26 26 ILE HG12 H 1 1.158 0.03 . 1 . . . . 26 I HG11 . 15385 1 262 . 1 1 26 26 ILE HG13 H 1 1.610 0.03 . 1 . . . . 26 I HG12 . 15385 1 263 . 1 1 26 26 ILE HG21 H 1 0.424 0.03 . 1 . . . . 26 I HG2 . 15385 1 264 . 1 1 26 26 ILE HG22 H 1 0.424 0.03 . 1 . . . . 26 I HG2 . 15385 1 265 . 1 1 26 26 ILE HG23 H 1 0.424 0.03 . 1 . . . . 26 I HG2 . 15385 1 266 . 1 1 26 26 ILE CA C 13 63.890 0.5 . 1 . . . . 26 I CA . 15385 1 267 . 1 1 26 26 ILE CB C 13 37.490 0.5 . 1 . . . . 26 I CB . 15385 1 268 . 1 1 26 26 ILE CD1 C 13 12.870 0.5 . 1 . . . . 26 I CD1 . 15385 1 269 . 1 1 26 26 ILE CG1 C 13 28.660 0.5 . 1 . . . . 26 I CG1 . 15385 1 270 . 1 1 26 26 ILE CG2 C 13 16.850 0.5 . 1 . . . . 26 I CG2 . 15385 1 271 . 1 1 26 26 ILE N N 15 119.090 0.4 . 1 . . . . 26 I N . 15385 1 272 . 1 1 27 27 PHE H H 1 7.530 0.03 . 1 . . . . 27 F HN . 15385 1 273 . 1 1 27 27 PHE HA H 1 4.360 0.03 . 1 . . . . 27 F HA . 15385 1 274 . 1 1 27 27 PHE HB2 H 1 3.094 0.03 . 2 . . . . 27 F HB1 . 15385 1 275 . 1 1 27 27 PHE HB3 H 1 2.625 0.03 . 2 . . . . 27 F HB2 . 15385 1 276 . 1 1 27 27 PHE HD1 H 1 6.951 0.03 . 3 . . . . 27 F HD1 . 15385 1 277 . 1 1 27 27 PHE HE1 H 1 6.990 0.03 . 3 . . . . 27 F HE1 . 15385 1 278 . 1 1 27 27 PHE CA C 13 59.440 0.5 . 1 . . . . 27 F CA . 15385 1 279 . 1 1 27 27 PHE CB C 13 39.480 0.5 . 1 . . . . 27 F CB . 15385 1 280 . 1 1 27 27 PHE CD1 C 13 131.660 0.5 . 3 . . . . 27 F CD1 . 15385 1 281 . 1 1 27 27 PHE CE1 C 13 131.678 0.5 . 3 . . . . 27 F CE1 . 15385 1 282 . 1 1 27 27 PHE N N 15 117.810 0.4 . 1 . . . . 27 F N . 15385 1 283 . 1 1 28 28 VAL H H 1 7.500 0.03 . 1 . . . . 28 V HN . 15385 1 284 . 1 1 28 28 VAL HA H 1 3.925 0.03 . 1 . . . . 28 V HA . 15385 1 285 . 1 1 28 28 VAL HB H 1 1.927 0.03 . 1 . . . . 28 V HB . 15385 1 286 . 1 1 28 28 VAL HG11 H 1 0.518 0.03 . 2 . . . . 28 V HG1 . 15385 1 287 . 1 1 28 28 VAL HG12 H 1 0.518 0.03 . 2 . . . . 28 V HG1 . 15385 1 288 . 1 1 28 28 VAL HG13 H 1 0.518 0.03 . 2 . . . . 28 V HG1 . 15385 1 289 . 1 1 28 28 VAL HG21 H 1 0.678 0.03 . 2 . . . . 28 V HG2 . 15385 1 290 . 1 1 28 28 VAL HG22 H 1 0.678 0.03 . 2 . . . . 28 V HG2 . 15385 1 291 . 1 1 28 28 VAL HG23 H 1 0.678 0.03 . 2 . . . . 28 V HG2 . 15385 1 292 . 1 1 28 28 VAL CA C 13 62.540 0.5 . 1 . . . . 28 V CA . 15385 1 293 . 1 1 28 28 VAL CB C 13 32.010 0.5 . 1 . . . . 28 V CB . 15385 1 294 . 1 1 28 28 VAL CG1 C 13 21.540 0.5 . 2 . . . . 28 V CG1 . 15385 1 295 . 1 1 28 28 VAL CG2 C 13 21.160 0.5 . 2 . . . . 28 V CG2 . 15385 1 296 . 1 1 28 28 VAL N N 15 115.280 0.4 . 1 . . . . 28 V N . 15385 1 297 . 1 1 29 29 LEU H H 1 7.660 0.03 . 1 . . . . 29 L HN . 15385 1 298 . 1 1 29 29 LEU HA H 1 4.100 0.03 . 1 . . . . 29 L HA . 15385 1 299 . 1 1 29 29 LEU HB2 H 1 1.757 0.03 . 2 . . . . 29 L HB1 . 15385 1 300 . 1 1 29 29 LEU HB3 H 1 1.596 0.03 . 2 . . . . 29 L HB2 . 15385 1 301 . 1 1 29 29 LEU HD11 H 1 0.907 0.03 . 2 . . . . 29 L HD1 . 15385 1 302 . 1 1 29 29 LEU HD12 H 1 0.907 0.03 . 2 . . . . 29 L HD1 . 15385 1 303 . 1 1 29 29 LEU HD13 H 1 0.907 0.03 . 2 . . . . 29 L HD1 . 15385 1 304 . 1 1 29 29 LEU HD21 H 1 0.856 0.03 . 2 . . . . 29 L HD2 . 15385 1 305 . 1 1 29 29 LEU HD22 H 1 0.856 0.03 . 2 . . . . 29 L HD2 . 15385 1 306 . 1 1 29 29 LEU HD23 H 1 0.856 0.03 . 2 . . . . 29 L HD2 . 15385 1 307 . 1 1 29 29 LEU CA C 13 56.340 0.5 . 1 . . . . 29 L CA . 15385 1 308 . 1 1 29 29 LEU CB C 13 41.000 0.5 . 1 . . . . 29 L CB . 15385 1 309 . 1 1 29 29 LEU CD1 C 13 24.950 0.5 . 2 . . . . 29 L CD1 . 15385 1 310 . 1 1 29 29 LEU CD2 C 13 23.640 0.5 . 2 . . . . 29 L CD2 . 15385 1 311 . 1 1 29 29 LEU CG C 13 26.810 0.5 . 1 . . . . 29 L CG . 15385 1 312 . 1 1 29 29 LEU N N 15 122.780 0.4 . 1 . . . . 29 L N . 15385 1 313 . 1 1 30 30 GLY H H 1 8.360 0.03 . 1 . . . . 30 G HN . 15385 1 314 . 1 1 30 30 GLY HA2 H 1 3.964 0.03 . 2 . . . . 30 G HA1 . 15385 1 315 . 1 1 30 30 GLY HA3 H 1 3.873 0.03 . 2 . . . . 30 G HA2 . 15385 1 316 . 1 1 30 30 GLY CA C 13 45.400 0.5 . 1 . . . . 30 G CA . 15385 1 317 . 1 1 30 30 GLY N N 15 108.420 0.4 . 1 . . . . 30 G N . 15385 1 318 . 1 1 31 31 ALA H H 1 7.780 0.03 . 1 . . . . 31 A HN . 15385 1 319 . 1 1 31 31 ALA HA H 1 4.372 0.03 . 1 . . . . 31 A HA . 15385 1 320 . 1 1 31 31 ALA HB1 H 1 1.480 0.03 . 1 . . . . 31 A HB . 15385 1 321 . 1 1 31 31 ALA HB2 H 1 1.480 0.03 . 1 . . . . 31 A HB . 15385 1 322 . 1 1 31 31 ALA HB3 H 1 1.480 0.03 . 1 . . . . 31 A HB . 15385 1 323 . 1 1 31 31 ALA CA C 13 52.380 0.5 . 1 . . . . 31 A CA . 15385 1 324 . 1 1 31 31 ALA CB C 13 19.510 0.5 . 1 . . . . 31 A CB . 15385 1 325 . 1 1 31 31 ALA N N 15 123.850 0.4 . 1 . . . . 31 A N . 15385 1 326 . 1 1 32 32 GLU H H 1 8.810 0.03 . 1 . . . . 32 E HN . 15385 1 327 . 1 1 32 32 GLU HA H 1 4.387 0.03 . 1 . . . . 32 E HA . 15385 1 328 . 1 1 32 32 GLU HB2 H 1 2.032 0.03 . 2 . . . . 32 E HB1 . 15385 1 329 . 1 1 32 32 GLU HB3 H 1 2.032 0.03 . 2 . . . . 32 E HB2 . 15385 1 330 . 1 1 32 32 GLU HG2 H 1 2.260 0.03 . 2 . . . . 32 E HG1 . 15385 1 331 . 1 1 32 32 GLU HG3 H 1 2.260 0.03 . 2 . . . . 32 E HG2 . 15385 1 332 . 1 1 32 32 GLU CA C 13 58.320 0.5 . 1 . . . . 32 E CA . 15385 1 333 . 1 1 32 32 GLU CB C 13 29.760 0.5 . 1 . . . . 32 E CB . 15385 1 334 . 1 1 32 32 GLU CG C 13 36.050 0.5 . 1 . . . . 32 E CG . 15385 1 335 . 1 1 32 32 GLU N N 15 123.210 0.4 . 1 . . . . 32 E N . 15385 1 336 . 1 1 33 33 ASP H H 1 8.240 0.03 . 1 . . . . 33 D HN . 15385 1 337 . 1 1 33 33 ASP HA H 1 4.676 0.03 . 1 . . . . 33 D HA . 15385 1 338 . 1 1 33 33 ASP HB2 H 1 2.684 0.03 . 2 . . . . 33 D HB1 . 15385 1 339 . 1 1 33 33 ASP HB3 H 1 2.873 0.03 . 2 . . . . 33 D HB2 . 15385 1 340 . 1 1 33 33 ASP CA C 13 53.540 0.5 . 1 . . . . 33 D CA . 15385 1 341 . 1 1 33 33 ASP CB C 13 40.780 0.5 . 1 . . . . 33 D CB . 15385 1 342 . 1 1 33 33 ASP N N 15 117.330 0.4 . 1 . . . . 33 D N . 15385 1 343 . 1 1 34 34 GLY H H 1 7.940 0.03 . 1 . . . . 34 G HN . 15385 1 344 . 1 1 34 34 GLY HA2 H 1 3.969 0.03 . 2 . . . . 34 G HA1 . 15385 1 345 . 1 1 34 34 GLY HA3 H 1 3.969 0.03 . 2 . . . . 34 G HA2 . 15385 1 346 . 1 1 34 34 GLY CA C 13 46.380 0.5 . 1 . . . . 34 G CA . 15385 1 347 . 1 1 34 34 GLY N N 15 106.760 0.4 . 1 . . . . 34 G N . 15385 1 348 . 1 1 35 35 SER H H 1 7.740 0.03 . 1 . . . . 35 S HN . 15385 1 349 . 1 1 35 35 SER HA H 1 5.023 0.03 . 1 . . . . 35 S HA . 15385 1 350 . 1 1 35 35 SER HB2 H 1 3.550 0.03 . 2 . . . . 35 S HB1 . 15385 1 351 . 1 1 35 35 SER HB3 H 1 3.721 0.03 . 2 . . . . 35 S HB2 . 15385 1 352 . 1 1 35 35 SER CA C 13 57.390 0.5 . 1 . . . . 35 S CA . 15385 1 353 . 1 1 35 35 SER CB C 13 65.760 0.5 . 1 . . . . 35 S CB . 15385 1 354 . 1 1 35 35 SER N N 15 113.290 0.4 . 1 . . . . 35 S N . 15385 1 355 . 1 1 36 36 ILE H H 1 8.490 0.03 . 1 . . . . 36 I HN . 15385 1 356 . 1 1 36 36 ILE HA H 1 4.345 0.03 . 1 . . . . 36 I HA . 15385 1 357 . 1 1 36 36 ILE HB H 1 1.669 0.03 . 1 . . . . 36 I HB . 15385 1 358 . 1 1 36 36 ILE HD11 H 1 0.479 0.03 . 1 . . . . 36 I HD1 . 15385 1 359 . 1 1 36 36 ILE HD12 H 1 0.479 0.03 . 1 . . . . 36 I HD1 . 15385 1 360 . 1 1 36 36 ILE HD13 H 1 0.479 0.03 . 1 . . . . 36 I HD1 . 15385 1 361 . 1 1 36 36 ILE HG12 H 1 1.228 0.03 . 1 . . . . 36 I HG11 . 15385 1 362 . 1 1 36 36 ILE HG13 H 1 1.279 0.03 . 1 . . . . 36 I HG12 . 15385 1 363 . 1 1 36 36 ILE HG21 H 1 0.541 0.03 . 1 . . . . 36 I HG2 . 15385 1 364 . 1 1 36 36 ILE HG22 H 1 0.541 0.03 . 1 . . . . 36 I HG2 . 15385 1 365 . 1 1 36 36 ILE HG23 H 1 0.541 0.03 . 1 . . . . 36 I HG2 . 15385 1 366 . 1 1 36 36 ILE CA C 13 61.560 0.5 . 1 . . . . 36 I CA . 15385 1 367 . 1 1 36 36 ILE CB C 13 32.010 0.5 . 1 . . . . 36 I CB . 15385 1 368 . 1 1 36 36 ILE CD1 C 13 14.540 0.5 . 1 . . . . 36 I CD1 . 15385 1 369 . 1 1 36 36 ILE CG1 C 13 26.690 0.5 . 1 . . . . 36 I CG1 . 15385 1 370 . 1 1 36 36 ILE CG2 C 13 17.080 0.5 . 1 . . . . 36 I CG2 . 15385 1 371 . 1 1 36 36 ILE N N 15 117.380 0.4 . 1 . . . . 36 I N . 15385 1 372 . 1 1 37 37 SER H H 1 8.910 0.03 . 1 . . . . 37 S HN . 15385 1 373 . 1 1 37 37 SER HA H 1 4.697 0.03 . 1 . . . . 37 S HA . 15385 1 374 . 1 1 37 37 SER HB2 H 1 4.232 0.03 . 2 . . . . 37 S HB1 . 15385 1 375 . 1 1 37 37 SER HB3 H 1 3.867 0.03 . 2 . . . . 37 S HB2 . 15385 1 376 . 1 1 37 37 SER CA C 13 57.860 0.5 . 1 . . . . 37 S CA . 15385 1 377 . 1 1 37 37 SER CB C 13 64.300 0.5 . 1 . . . . 37 S CB . 15385 1 378 . 1 1 37 37 SER N N 15 120.670 0.4 . 1 . . . . 37 S N . 15385 1 379 . 1 1 38 38 THR H H 1 8.500 0.03 . 1 . . . . 38 T HN . 15385 1 380 . 1 1 38 38 THR HA H 1 3.766 0.03 . 1 . . . . 38 T HA . 15385 1 381 . 1 1 38 38 THR HB H 1 3.759 0.03 . 1 . . . . 38 T HB . 15385 1 382 . 1 1 38 38 THR HG21 H 1 1.118 0.03 . 1 . . . . 38 T HG2 . 15385 1 383 . 1 1 38 38 THR HG22 H 1 1.118 0.03 . 1 . . . . 38 T HG2 . 15385 1 384 . 1 1 38 38 THR HG23 H 1 1.118 0.03 . 1 . . . . 38 T HG2 . 15385 1 385 . 1 1 38 38 THR CA C 13 65.700 0.5 . 1 . . . . 38 T CA . 15385 1 386 . 1 1 38 38 THR CB C 13 67.700 0.5 . 1 . . . . 38 T CB . 15385 1 387 . 1 1 38 38 THR CG2 C 13 22.850 0.5 . 1 . . . . 38 T CG2 . 15385 1 388 . 1 1 38 38 THR N N 15 116.500 0.4 . 1 . . . . 38 T N . 15385 1 389 . 1 1 39 39 LYS H H 1 8.000 0.03 . 1 . . . . 39 K HN . 15385 1 390 . 1 1 39 39 LYS HA H 1 4.239 0.03 . 1 . . . . 39 K HA . 15385 1 391 . 1 1 39 39 LYS HB2 H 1 1.842 0.03 . 2 . . . . 39 K HB1 . 15385 1 392 . 1 1 39 39 LYS HB3 H 1 1.842 0.03 . 2 . . . . 39 K HB2 . 15385 1 393 . 1 1 39 39 LYS HD2 H 1 1.698 0.03 . 2 . . . . 39 K HD1 . 15385 1 394 . 1 1 39 39 LYS HD3 H 1 1.698 0.03 . 2 . . . . 39 K HD2 . 15385 1 395 . 1 1 39 39 LYS HE2 H 1 3.016 0.03 . 2 . . . . 39 K HE1 . 15385 1 396 . 1 1 39 39 LYS HE3 H 1 3.016 0.03 . 2 . . . . 39 K HE2 . 15385 1 397 . 1 1 39 39 LYS HG2 H 1 1.496 0.03 . 2 . . . . 39 K HG1 . 15385 1 398 . 1 1 39 39 LYS HG3 H 1 1.496 0.03 . 2 . . . . 39 K HG2 . 15385 1 399 . 1 1 39 39 LYS CA C 13 58.400 0.5 . 1 . . . . 39 K CA . 15385 1 400 . 1 1 39 39 LYS CB C 13 32.300 0.5 . 1 . . . . 39 K CB . 15385 1 401 . 1 1 39 39 LYS CD C 13 28.960 0.5 . 1 . . . . 39 K CD . 15385 1 402 . 1 1 39 39 LYS CE C 13 42.060 0.5 . 1 . . . . 39 K CE . 15385 1 403 . 1 1 39 39 LYS CG C 13 24.920 0.5 . 1 . . . . 39 K CG . 15385 1 404 . 1 1 39 39 LYS N N 15 120.300 0.4 . 1 . . . . 39 K N . 15385 1 405 . 1 1 40 40 GLU H H 1 7.600 0.03 . 1 . . . . 40 E HN . 15385 1 406 . 1 1 40 40 GLU HA H 1 4.362 0.03 . 1 . . . . 40 E HA . 15385 1 407 . 1 1 40 40 GLU HB2 H 1 1.914 0.03 . 2 . . . . 40 E HB1 . 15385 1 408 . 1 1 40 40 GLU HB3 H 1 1.783 0.03 . 2 . . . . 40 E HB2 . 15385 1 409 . 1 1 40 40 GLU HG2 H 1 2.240 0.03 . 2 . . . . 40 E HG2 . 15385 1 410 . 1 1 40 40 GLU CA C 13 56.600 0.5 . 1 . . . . 40 E CA . 15385 1 411 . 1 1 40 40 GLU CB C 13 30.000 0.5 . 1 . . . . 40 E CB . 15385 1 412 . 1 1 40 40 GLU CG C 13 36.410 0.5 . 1 . . . . 40 E CG . 15385 1 413 . 1 1 40 40 GLU N N 15 117.300 0.4 . 1 . . . . 40 E N . 15385 1 414 . 1 1 41 41 LEU H H 1 7.600 0.03 . 1 . . . . 41 L HN . 15385 1 415 . 1 1 41 41 LEU HA H 1 3.841 0.03 . 1 . . . . 41 L HA . 15385 1 416 . 1 1 41 41 LEU HB2 H 1 1.591 0.03 . 2 . . . . 41 L HB1 . 15385 1 417 . 1 1 41 41 LEU HB3 H 1 1.591 0.03 . 2 . . . . 41 L HB2 . 15385 1 418 . 1 1 41 41 LEU HD11 H 1 0.904 0.03 . 2 . . . . 41 L HD1 . 15385 1 419 . 1 1 41 41 LEU HD12 H 1 0.904 0.03 . 2 . . . . 41 L HD1 . 15385 1 420 . 1 1 41 41 LEU HD13 H 1 0.904 0.03 . 2 . . . . 41 L HD1 . 15385 1 421 . 1 1 41 41 LEU HD21 H 1 0.855 0.03 . 2 . . . . 41 L HD2 . 15385 1 422 . 1 1 41 41 LEU HD22 H 1 0.855 0.03 . 2 . . . . 41 L HD2 . 15385 1 423 . 1 1 41 41 LEU HD23 H 1 0.855 0.03 . 2 . . . . 41 L HD2 . 15385 1 424 . 1 1 41 41 LEU HG H 1 1.624 0.03 . 1 . . . . 41 L HG . 15385 1 425 . 1 1 41 41 LEU CA C 13 57.500 0.5 . 1 . . . . 41 L CA . 15385 1 426 . 1 1 41 41 LEU CB C 13 42.200 0.5 . 1 . . . . 41 L CB . 15385 1 427 . 1 1 41 41 LEU CD1 C 13 24.950 0.5 . 2 . . . . 41 L CD1 . 15385 1 428 . 1 1 41 41 LEU CD2 C 13 24.410 0.5 . 2 . . . . 41 L CD2 . 15385 1 429 . 1 1 41 41 LEU CG C 13 27.130 0.5 . 1 . . . . 41 L CG . 15385 1 430 . 1 1 41 41 LEU N N 15 119.400 0.4 . 1 . . . . 41 L N . 15385 1 431 . 1 1 42 42 GLY H H 1 8.630 0.03 . 1 . . . . 42 G HN . 15385 1 432 . 1 1 42 42 GLY HA2 H 1 3.522 0.03 . 2 . . . . 42 G HA1 . 15385 1 433 . 1 1 42 42 GLY HA3 H 1 3.851 0.03 . 2 . . . . 42 G HA2 . 15385 1 434 . 1 1 42 42 GLY CA C 13 47.780 0.5 . 1 . . . . 42 G CA . 15385 1 435 . 1 1 42 42 GLY N N 15 106.570 0.4 . 1 . . . . 42 G N . 15385 1 436 . 1 1 43 43 LYS H H 1 7.340 0.03 . 1 . . . . 43 K HN . 15385 1 437 . 1 1 43 43 LYS HA H 1 3.985 0.03 . 1 . . . . 43 K HA . 15385 1 438 . 1 1 43 43 LYS HB2 H 1 1.857 0.03 . 2 . . . . 43 K HB1 . 15385 1 439 . 1 1 43 43 LYS HB3 H 1 1.857 0.03 . 2 . . . . 43 K HB2 . 15385 1 440 . 1 1 43 43 LYS HD2 H 1 1.704 0.03 . 2 . . . . 43 K HD1 . 15385 1 441 . 1 1 43 43 LYS HD3 H 1 1.704 0.03 . 2 . . . . 43 K HD2 . 15385 1 442 . 1 1 43 43 LYS HE2 H 1 2.996 0.03 . 2 . . . . 43 K HE1 . 15385 1 443 . 1 1 43 43 LYS HE3 H 1 2.996 0.03 . 2 . . . . 43 K HE2 . 15385 1 444 . 1 1 43 43 LYS HG2 H 1 1.505 0.03 . 2 . . . . 43 K HG1 . 15385 1 445 . 1 1 43 43 LYS HG3 H 1 1.395 0.03 . 2 . . . . 43 K HG2 . 15385 1 446 . 1 1 43 43 LYS CA C 13 59.490 0.5 . 1 . . . . 43 K CA . 15385 1 447 . 1 1 43 43 LYS CB C 13 32.430 0.5 . 1 . . . . 43 K CB . 15385 1 448 . 1 1 43 43 LYS CD C 13 29.390 0.5 . 1 . . . . 43 K CD . 15385 1 449 . 1 1 43 43 LYS CE C 13 42.200 0.5 . 1 . . . . 43 K CE . 15385 1 450 . 1 1 43 43 LYS CG C 13 25.360 0.5 . 1 . . . . 43 K CG . 15385 1 451 . 1 1 43 43 LYS N N 15 121.090 0.4 . 1 . . . . 43 K N . 15385 1 452 . 1 1 44 44 VAL H H 1 7.470 0.03 . 1 . . . . 44 V HN . 15385 1 453 . 1 1 44 44 VAL HA H 1 3.492 0.03 . 1 . . . . 44 V HA . 15385 1 454 . 1 1 44 44 VAL HB H 1 1.957 0.03 . 1 . . . . 44 V HB . 15385 1 455 . 1 1 44 44 VAL HG11 H 1 0.716 0.03 . 2 . . . . 44 V HG1 . 15385 1 456 . 1 1 44 44 VAL HG12 H 1 0.716 0.03 . 2 . . . . 44 V HG1 . 15385 1 457 . 1 1 44 44 VAL HG13 H 1 0.716 0.03 . 2 . . . . 44 V HG1 . 15385 1 458 . 1 1 44 44 VAL HG21 H 1 0.635 0.03 . 2 . . . . 44 V HG2 . 15385 1 459 . 1 1 44 44 VAL HG22 H 1 0.635 0.03 . 2 . . . . 44 V HG2 . 15385 1 460 . 1 1 44 44 VAL HG23 H 1 0.635 0.03 . 2 . . . . 44 V HG2 . 15385 1 461 . 1 1 44 44 VAL CA C 13 65.790 0.5 . 1 . . . . 44 V CA . 15385 1 462 . 1 1 44 44 VAL CB C 13 31.440 0.5 . 1 . . . . 44 V CB . 15385 1 463 . 1 1 44 44 VAL CG1 C 13 21.740 0.5 . 2 . . . . 44 V CG1 . 15385 1 464 . 1 1 44 44 VAL CG2 C 13 22.370 0.5 . 2 . . . . 44 V CG2 . 15385 1 465 . 1 1 44 44 VAL N N 15 119.970 0.4 . 1 . . . . 44 V N . 15385 1 466 . 1 1 45 45 MET H H 1 8.210 0.03 . 1 . . . . 45 M HN . 15385 1 467 . 1 1 45 45 MET HA H 1 4.095 0.03 . 1 . . . . 45 M HA . 15385 1 468 . 1 1 45 45 MET HB2 H 1 1.878 0.03 . 2 . . . . 45 M HB1 . 15385 1 469 . 1 1 45 45 MET HB3 H 1 2.003 0.03 . 2 . . . . 45 M HB2 . 15385 1 470 . 1 1 45 45 MET HE1 H 1 1.823 0.03 . 1 . . . . 45 M HE . 15385 1 471 . 1 1 45 45 MET HE2 H 1 1.823 0.03 . 1 . . . . 45 M HE . 15385 1 472 . 1 1 45 45 MET HE3 H 1 1.823 0.03 . 1 . . . . 45 M HE . 15385 1 473 . 1 1 45 45 MET HG2 H 1 2.533 0.03 . 2 . . . . 45 M HG1 . 15385 1 474 . 1 1 45 45 MET HG3 H 1 2.849 0.03 . 2 . . . . 45 M HG2 . 15385 1 475 . 1 1 45 45 MET CA C 13 58.660 0.5 . 1 . . . . 45 M CA . 15385 1 476 . 1 1 45 45 MET CB C 13 31.260 0.5 . 1 . . . . 45 M CB . 15385 1 477 . 1 1 45 45 MET CE C 13 17.610 0.5 . 1 . . . . 45 M CE . 15385 1 478 . 1 1 45 45 MET CG C 13 33.260 0.5 . 1 . . . . 45 M CG . 15385 1 479 . 1 1 45 45 MET N N 15 116.150 0.4 . 1 . . . . 45 M N . 15385 1 480 . 1 1 46 46 ARG H H 1 7.910 0.03 . 1 . . . . 46 R HN . 15385 1 481 . 1 1 46 46 ARG HA H 1 4.595 0.03 . 1 . . . . 46 R HA . 15385 1 482 . 1 1 46 46 ARG HB2 H 1 1.931 0.03 . 2 . . . . 46 R HB1 . 15385 1 483 . 1 1 46 46 ARG HB3 H 1 1.931 0.03 . 2 . . . . 46 R HB2 . 15385 1 484 . 1 1 46 46 ARG HD2 H 1 3.198 0.03 . 2 . . . . 46 R HD1 . 15385 1 485 . 1 1 46 46 ARG HD3 H 1 3.267 0.03 . 2 . . . . 46 R HD2 . 15385 1 486 . 1 1 46 46 ARG HG2 H 1 1.725 0.03 . 2 . . . . 46 R HG1 . 15385 1 487 . 1 1 46 46 ARG HG3 H 1 1.911 0.03 . 2 . . . . 46 R HG2 . 15385 1 488 . 1 1 46 46 ARG CA C 13 59.110 0.5 . 1 . . . . 46 R CA . 15385 1 489 . 1 1 46 46 ARG CB C 13 29.990 0.5 . 1 . . . . 46 R CB . 15385 1 490 . 1 1 46 46 ARG CD C 13 43.320 0.5 . 1 . . . . 46 R CD . 15385 1 491 . 1 1 46 46 ARG CG C 13 28.250 0.5 . 1 . . . . 46 R CG . 15385 1 492 . 1 1 46 46 ARG N N 15 118.980 0.4 . 1 . . . . 46 R N . 15385 1 493 . 1 1 47 47 MET H H 1 7.980 0.03 . 1 . . . . 47 M HN . 15385 1 494 . 1 1 47 47 MET HA H 1 4.290 0.03 . 1 . . . . 47 M HA . 15385 1 495 . 1 1 47 47 MET HB2 H 1 2.471 0.03 . 2 . . . . 47 M HB1 . 15385 1 496 . 1 1 47 47 MET HB3 H 1 2.471 0.03 . 2 . . . . 47 M HB2 . 15385 1 497 . 1 1 47 47 MET HE1 H 1 2.220 0.03 . 1 . . . . 47 M HE . 15385 1 498 . 1 1 47 47 MET HE2 H 1 2.220 0.03 . 1 . . . . 47 M HE . 15385 1 499 . 1 1 47 47 MET HE3 H 1 2.220 0.03 . 1 . . . . 47 M HE . 15385 1 500 . 1 1 47 47 MET HG2 H 1 2.747 0.03 . 2 . . . . 47 M HG1 . 15385 1 501 . 1 1 47 47 MET HG3 H 1 2.892 0.03 . 2 . . . . 47 M HG2 . 15385 1 502 . 1 1 47 47 MET CA C 13 58.960 0.5 . 1 . . . . 47 M CA . 15385 1 503 . 1 1 47 47 MET CB C 13 32.500 0.5 . 1 . . . . 47 M CB . 15385 1 504 . 1 1 47 47 MET CE C 13 17.310 0.5 . 1 . . . . 47 M CE . 15385 1 505 . 1 1 47 47 MET CG C 13 32.510 0.5 . 1 . . . . 47 M CG . 15385 1 506 . 1 1 47 47 MET N N 15 121.860 0.4 . 1 . . . . 47 M N . 15385 1 507 . 1 1 48 48 LEU H H 1 7.530 0.03 . 1 . . . . 48 L HN . 15385 1 508 . 1 1 48 48 LEU HA H 1 4.541 0.03 . 1 . . . . 48 L HA . 15385 1 509 . 1 1 48 48 LEU HB2 H 1 1.863 0.03 . 2 . . . . 48 L HB1 . 15385 1 510 . 1 1 48 48 LEU HB3 H 1 1.922 0.03 . 2 . . . . 48 L HB2 . 15385 1 511 . 1 1 48 48 LEU HD11 H 1 1.109 0.03 . 2 . . . . 48 L HD1 . 15385 1 512 . 1 1 48 48 LEU HD12 H 1 1.109 0.03 . 2 . . . . 48 L HD1 . 15385 1 513 . 1 1 48 48 LEU HD13 H 1 1.109 0.03 . 2 . . . . 48 L HD1 . 15385 1 514 . 1 1 48 48 LEU HD21 H 1 1.031 0.03 . 2 . . . . 48 L HD2 . 15385 1 515 . 1 1 48 48 LEU HD22 H 1 1.031 0.03 . 2 . . . . 48 L HD2 . 15385 1 516 . 1 1 48 48 LEU HD23 H 1 1.031 0.03 . 2 . . . . 48 L HD2 . 15385 1 517 . 1 1 48 48 LEU HG H 1 1.969 0.03 . 1 . . . . 48 L HG . 15385 1 518 . 1 1 48 48 LEU CA C 13 54.490 0.5 . 1 . . . . 48 L CA . 15385 1 519 . 1 1 48 48 LEU CB C 13 42.080 0.5 . 1 . . . . 48 L CB . 15385 1 520 . 1 1 48 48 LEU CD1 C 13 22.670 0.5 . 2 . . . . 48 L CD1 . 15385 1 521 . 1 1 48 48 LEU CD2 C 13 26.690 0.5 . 2 . . . . 48 L CD2 . 15385 1 522 . 1 1 48 48 LEU CG C 13 26.600 0.5 . 1 . . . . 48 L CG . 15385 1 523 . 1 1 48 48 LEU N N 15 117.910 0.4 . 1 . . . . 48 L N . 15385 1 524 . 1 1 49 49 GLY H H 1 7.840 0.03 . 1 . . . . 49 G HN . 15385 1 525 . 1 1 49 49 GLY HA2 H 1 3.822 0.03 . 2 . . . . 49 G HA1 . 15385 1 526 . 1 1 49 49 GLY HA3 H 1 4.263 0.03 . 2 . . . . 49 G HA2 . 15385 1 527 . 1 1 49 49 GLY CA C 13 45.560 0.5 . 1 . . . . 49 G CA . 15385 1 528 . 1 1 49 49 GLY N N 15 107.180 0.4 . 1 . . . . 49 G N . 15385 1 529 . 1 1 50 50 GLN H H 1 8.140 0.03 . 1 . . . . 50 Q HN . 15385 1 530 . 1 1 50 50 GLN HA H 1 4.508 0.03 . 1 . . . . 50 Q HA . 15385 1 531 . 1 1 50 50 GLN HB2 H 1 1.607 0.03 . 2 . . . . 50 Q HB1 . 15385 1 532 . 1 1 50 50 GLN HB3 H 1 1.642 0.03 . 2 . . . . 50 Q HB2 . 15385 1 533 . 1 1 50 50 GLN HG2 H 1 2.171 0.03 . 2 . . . . 50 Q HG1 . 15385 1 534 . 1 1 50 50 GLN HG3 H 1 2.171 0.03 . 2 . . . . 50 Q HG2 . 15385 1 535 . 1 1 50 50 GLN CA C 13 54.030 0.5 . 1 . . . . 50 Q CA . 15385 1 536 . 1 1 50 50 GLN CB C 13 30.900 0.5 . 1 . . . . 50 Q CB . 15385 1 537 . 1 1 50 50 GLN CG C 13 33.470 0.5 . 1 . . . . 50 Q CG . 15385 1 538 . 1 1 50 50 GLN N N 15 118.800 0.4 . 1 . . . . 50 Q N . 15385 1 539 . 1 1 51 51 ASN H H 1 8.680 0.03 . 1 . . . . 51 N HN . 15385 1 540 . 1 1 51 51 ASN HA H 1 5.125 0.03 . 1 . . . . 51 N HA . 15385 1 541 . 1 1 51 51 ASN HB2 H 1 2.501 0.03 . 2 . . . . 51 N HB1 . 15385 1 542 . 1 1 51 51 ASN HB3 H 1 2.747 0.03 . 2 . . . . 51 N HB2 . 15385 1 543 . 1 1 51 51 ASN CA C 13 51.250 0.5 . 1 . . . . 51 N CA . 15385 1 544 . 1 1 51 51 ASN CB C 13 39.490 0.5 . 1 . . . . 51 N CB . 15385 1 545 . 1 1 51 51 ASN N N 15 116.900 0.4 . 1 . . . . 51 N N . 15385 1 546 . 1 1 52 52 PRO HA H 1 4.741 0.03 . 1 . . . . 52 P HA . 15385 1 547 . 1 1 52 52 PRO HB2 H 1 1.934 0.03 . 2 . . . . 52 P HB1 . 15385 1 548 . 1 1 52 52 PRO HB3 H 1 2.219 0.03 . 2 . . . . 52 P HB2 . 15385 1 549 . 1 1 52 52 PRO HD2 H 1 3.589 0.03 . 2 . . . . 52 P HD1 . 15385 1 550 . 1 1 52 52 PRO HD3 H 1 3.321 0.03 . 2 . . . . 52 P HD2 . 15385 1 551 . 1 1 52 52 PRO HG2 H 1 1.876 0.03 . 2 . . . . 52 P HG1 . 15385 1 552 . 1 1 52 52 PRO HG3 H 1 1.876 0.03 . 2 . . . . 52 P HG2 . 15385 1 553 . 1 1 52 52 PRO CA C 13 62.440 0.5 . 1 . . . . 52 P CA . 15385 1 554 . 1 1 52 52 PRO CB C 13 31.620 0.5 . 1 . . . . 52 P CB . 15385 1 555 . 1 1 52 52 PRO CD C 13 49.770 0.5 . 1 . . . . 52 P CD . 15385 1 556 . 1 1 52 52 PRO CG C 13 27.320 0.5 . 1 . . . . 52 P CG . 15385 1 557 . 1 1 53 53 THR H H 1 8.777 0.03 . 1 . . . . 53 T HN . 15385 1 558 . 1 1 53 53 THR HA H 1 4.610 0.03 . 1 . . . . 53 T HA . 15385 1 559 . 1 1 53 53 THR HB H 1 4.412 0.03 . 1 . . . . 53 T HB . 15385 1 560 . 1 1 53 53 THR HG21 H 1 1.394 0.03 . 1 . . . . 53 T HG2 . 15385 1 561 . 1 1 53 53 THR HG22 H 1 1.394 0.03 . 1 . . . . 53 T HG2 . 15385 1 562 . 1 1 53 53 THR HG23 H 1 1.394 0.03 . 1 . . . . 53 T HG2 . 15385 1 563 . 1 1 53 53 THR CA C 13 60.414 0.5 . 1 . . . . 53 T CA . 15385 1 564 . 1 1 53 53 THR CB C 13 68.015 0.5 . 1 . . . . 53 T CB . 15385 1 565 . 1 1 53 53 THR CG2 C 13 22.160 0.5 . 1 . . . . 53 T CG2 . 15385 1 566 . 1 1 53 53 THR N N 15 114.390 0.4 . 1 . . . . 53 T N . 15385 1 567 . 1 1 54 54 PRO HA H 1 4.171 0.03 . 1 . . . . 54 P HA . 15385 1 568 . 1 1 54 54 PRO HB2 H 1 2.012 0.03 . 2 . . . . 54 P HB1 . 15385 1 569 . 1 1 54 54 PRO HB3 H 1 2.397 0.03 . 2 . . . . 54 P HB2 . 15385 1 570 . 1 1 54 54 PRO HD2 H 1 3.915 0.03 . 2 . . . . 54 P HD1 . 15385 1 571 . 1 1 54 54 PRO HD3 H 1 3.915 0.03 . 2 . . . . 54 P HD2 . 15385 1 572 . 1 1 54 54 PRO HG2 H 1 1.906 0.03 . 2 . . . . 54 P HG1 . 15385 1 573 . 1 1 54 54 PRO HG3 H 1 2.239 0.03 . 2 . . . . 54 P HG2 . 15385 1 574 . 1 1 54 54 PRO CA C 13 66.110 0.5 . 1 . . . . 54 P CA . 15385 1 575 . 1 1 54 54 PRO CB C 13 31.780 0.5 . 1 . . . . 54 P CB . 15385 1 576 . 1 1 54 54 PRO CD C 13 50.080 0.5 . 1 . . . . 54 P CD . 15385 1 577 . 1 1 54 54 PRO CG C 13 28.280 0.5 . 1 . . . . 54 P CG . 15385 1 578 . 1 1 55 55 GLU H H 1 8.790 0.03 . 1 . . . . 55 E HN . 15385 1 579 . 1 1 55 55 GLU HA H 1 4.024 0.03 . 1 . . . . 55 E HA . 15385 1 580 . 1 1 55 55 GLU HB2 H 1 1.935 0.03 . 2 . . . . 55 E HB1 . 15385 1 581 . 1 1 55 55 GLU HB3 H 1 2.047 0.03 . 2 . . . . 55 E HB2 . 15385 1 582 . 1 1 55 55 GLU HG2 H 1 2.289 0.03 . 2 . . . . 55 E HG1 . 15385 1 583 . 1 1 55 55 GLU HG3 H 1 2.289 0.03 . 2 . . . . 55 E HG2 . 15385 1 584 . 1 1 55 55 GLU CA C 13 60.450 0.5 . 1 . . . . 55 E CA . 15385 1 585 . 1 1 55 55 GLU CB C 13 28.800 0.5 . 1 . . . . 55 E CB . 15385 1 586 . 1 1 55 55 GLU CG C 13 37.000 0.5 . 1 . . . . 55 E CG . 15385 1 587 . 1 1 55 55 GLU N N 15 117.480 0.4 . 1 . . . . 55 E N . 15385 1 588 . 1 1 56 56 GLU H H 1 7.760 0.03 . 1 . . . . 56 E HN . 15385 1 589 . 1 1 56 56 GLU HA H 1 4.009 0.03 . 1 . . . . 56 E HA . 15385 1 590 . 1 1 56 56 GLU HB2 H 1 2.052 0.03 . 2 . . . . 56 E HB1 . 15385 1 591 . 1 1 56 56 GLU HB3 H 1 1.934 0.03 . 2 . . . . 56 E HB2 . 15385 1 592 . 1 1 56 56 GLU HG2 H 1 2.316 0.03 . 2 . . . . 56 E HG1 . 15385 1 593 . 1 1 56 56 GLU HG3 H 1 2.316 0.03 . 2 . . . . 56 E HG2 . 15385 1 594 . 1 1 56 56 GLU CA C 13 58.760 0.5 . 1 . . . . 56 E CA . 15385 1 595 . 1 1 56 56 GLU CB C 13 30.070 0.5 . 1 . . . . 56 E CB . 15385 1 596 . 1 1 56 56 GLU CG C 13 36.890 0.5 . 1 . . . . 56 E CG . 15385 1 597 . 1 1 56 56 GLU N N 15 121.590 0.4 . 1 . . . . 56 E N . 15385 1 598 . 1 1 57 57 LEU H H 1 8.440 0.03 . 1 . . . . 57 L HN . 15385 1 599 . 1 1 57 57 LEU HA H 1 4.027 0.03 . 1 . . . . 57 L HA . 15385 1 600 . 1 1 57 57 LEU HB2 H 1 1.690 0.03 . 2 . . . . 57 L HB1 . 15385 1 601 . 1 1 57 57 LEU HB3 H 1 1.690 0.03 . 2 . . . . 57 L HB2 . 15385 1 602 . 1 1 57 57 LEU HD11 H 1 0.810 0.03 . 2 . . . . 57 L HD1 . 15385 1 603 . 1 1 57 57 LEU HD12 H 1 0.810 0.03 . 2 . . . . 57 L HD1 . 15385 1 604 . 1 1 57 57 LEU HD13 H 1 0.810 0.03 . 2 . . . . 57 L HD1 . 15385 1 605 . 1 1 57 57 LEU HG H 1 1.571 0.03 . 1 . . . . 57 L HG . 15385 1 606 . 1 1 57 57 LEU CA C 13 58.000 0.5 . 1 . . . . 57 L CA . 15385 1 607 . 1 1 57 57 LEU CB C 13 41.990 0.5 . 1 . . . . 57 L CB . 15385 1 608 . 1 1 57 57 LEU CD1 C 13 24.600 0.5 . 2 . . . . 57 L CD1 . 15385 1 609 . 1 1 57 57 LEU CG C 13 23.000 0.5 . 1 . . . . 57 L CG . 15385 1 610 . 1 1 57 57 LEU N N 15 120.800 0.4 . 1 . . . . 57 L N . 15385 1 611 . 1 1 58 58 GLN H H 1 7.880 0.03 . 1 . . . . 58 Q HN . 15385 1 612 . 1 1 58 58 GLN HA H 1 3.829 0.03 . 1 . . . . 58 Q HA . 15385 1 613 . 1 1 58 58 GLN HB2 H 1 2.130 0.03 . 2 . . . . 58 Q HB1 . 15385 1 614 . 1 1 58 58 GLN HB3 H 1 2.130 0.03 . 2 . . . . 58 Q HB2 . 15385 1 615 . 1 1 58 58 GLN HG2 H 1 2.390 0.03 . 2 . . . . 58 Q HG1 . 15385 1 616 . 1 1 58 58 GLN HG3 H 1 2.390 0.03 . 2 . . . . 58 Q HG2 . 15385 1 617 . 1 1 58 58 GLN CA C 13 58.370 0.5 . 1 . . . . 58 Q CA . 15385 1 618 . 1 1 58 58 GLN CB C 13 28.370 0.5 . 1 . . . . 58 Q CB . 15385 1 619 . 1 1 58 58 GLN CG C 13 33.560 0.5 . 1 . . . . 58 Q CG . 15385 1 620 . 1 1 58 58 GLN N N 15 117.440 0.4 . 1 . . . . 58 Q N . 15385 1 621 . 1 1 59 59 GLU H H 1 7.670 0.03 . 1 . . . . 59 E HN . 15385 1 622 . 1 1 59 59 GLU HA H 1 4.073 0.03 . 1 . . . . 59 E HA . 15385 1 623 . 1 1 59 59 GLU HB2 H 1 2.091 0.03 . 2 . . . . 59 E HB1 . 15385 1 624 . 1 1 59 59 GLU HB3 H 1 2.091 0.03 . 2 . . . . 59 E HB2 . 15385 1 625 . 1 1 59 59 GLU HG2 H 1 2.226 0.03 . 2 . . . . 59 E HG1 . 15385 1 626 . 1 1 59 59 GLU HG3 H 1 2.226 0.03 . 2 . . . . 59 E HG2 . 15385 1 627 . 1 1 59 59 GLU CA C 13 59.200 0.5 . 1 . . . . 59 E CA . 15385 1 628 . 1 1 59 59 GLU CB C 13 29.360 0.5 . 1 . . . . 59 E CB . 15385 1 629 . 1 1 59 59 GLU CG C 13 36.020 0.5 . 1 . . . . 59 E CG . 15385 1 630 . 1 1 59 59 GLU N N 15 118.220 0.4 . 1 . . . . 59 E N . 15385 1 631 . 1 1 60 60 MET H H 1 7.860 0.03 . 1 . . . . 60 M HN . 15385 1 632 . 1 1 60 60 MET HA H 1 3.993 0.03 . 1 . . . . 60 M HA . 15385 1 633 . 1 1 60 60 MET HB2 H 1 2.069 0.03 . 2 . . . . 60 M HB1 . 15385 1 634 . 1 1 60 60 MET HB3 H 1 2.227 0.03 . 2 . . . . 60 M HB2 . 15385 1 635 . 1 1 60 60 MET HE1 H 1 1.947 0.03 . 1 . . . . 60 M HE . 15385 1 636 . 1 1 60 60 MET HE2 H 1 1.947 0.03 . 1 . . . . 60 M HE . 15385 1 637 . 1 1 60 60 MET HE3 H 1 1.947 0.03 . 1 . . . . 60 M HE . 15385 1 638 . 1 1 60 60 MET HG2 H 1 2.628 0.03 . 2 . . . . 60 M HG1 . 15385 1 639 . 1 1 60 60 MET HG3 H 1 2.421 0.03 . 2 . . . . 60 M HG2 . 15385 1 640 . 1 1 60 60 MET CA C 13 59.080 0.5 . 1 . . . . 60 M CA . 15385 1 641 . 1 1 60 60 MET CB C 13 33.310 0.5 . 1 . . . . 60 M CB . 15385 1 642 . 1 1 60 60 MET CE C 13 17.308 0.5 . 1 . . . . 60 M CE . 15385 1 643 . 1 1 60 60 MET CG C 13 32.350 0.5 . 1 . . . . 60 M CG . 15385 1 644 . 1 1 60 60 MET N N 15 117.700 0.4 . 1 . . . . 60 M N . 15385 1 645 . 1 1 61 61 ILE H H 1 8.240 0.03 . 1 . . . . 61 I HN . 15385 1 646 . 1 1 61 61 ILE HA H 1 3.310 0.03 . 1 . . . . 61 I HA . 15385 1 647 . 1 1 61 61 ILE HB H 1 1.880 0.03 . 1 . . . . 61 I HB . 15385 1 648 . 1 1 61 61 ILE HD11 H 1 0.770 0.03 . 1 . . . . 61 I HD1 . 15385 1 649 . 1 1 61 61 ILE HD12 H 1 0.770 0.03 . 1 . . . . 61 I HD1 . 15385 1 650 . 1 1 61 61 ILE HD13 H 1 0.770 0.03 . 1 . . . . 61 I HD1 . 15385 1 651 . 1 1 61 61 ILE HG12 H 1 0.770 0.03 . 1 . . . . 61 I HG11 . 15385 1 652 . 1 1 61 61 ILE HG13 H 1 1.770 0.03 . 1 . . . . 61 I HG12 . 15385 1 653 . 1 1 61 61 ILE HG21 H 1 0.860 0.03 . 1 . . . . 61 I HG2 . 15385 1 654 . 1 1 61 61 ILE HG22 H 1 0.860 0.03 . 1 . . . . 61 I HG2 . 15385 1 655 . 1 1 61 61 ILE HG23 H 1 0.860 0.03 . 1 . . . . 61 I HG2 . 15385 1 656 . 1 1 61 61 ILE CA C 13 65.880 0.5 . 1 . . . . 61 I CA . 15385 1 657 . 1 1 61 61 ILE CB C 13 37.870 0.5 . 1 . . . . 61 I CB . 15385 1 658 . 1 1 61 61 ILE CD1 C 13 14.190 0.5 . 1 . . . . 61 I CD1 . 15385 1 659 . 1 1 61 61 ILE CG1 C 13 30.050 0.5 . 1 . . . . 61 I CG1 . 15385 1 660 . 1 1 61 61 ILE CG2 C 13 17.270 0.5 . 1 . . . . 61 I CG2 . 15385 1 661 . 1 1 61 61 ILE N N 15 120.040 0.4 . 1 . . . . 61 I N . 15385 1 662 . 1 1 62 62 ASP H H 1 8.165 0.03 . 1 . . . . 62 D HN . 15385 1 663 . 1 1 62 62 ASP HA H 1 4.300 0.03 . 1 . . . . 62 D HA . 15385 1 664 . 1 1 62 62 ASP HB2 H 1 2.780 0.03 . 2 . . . . 62 D HB1 . 15385 1 665 . 1 1 62 62 ASP HB3 H 1 2.650 0.03 . 2 . . . . 62 D HB2 . 15385 1 666 . 1 1 62 62 ASP CA C 13 57.130 0.5 . 1 . . . . 62 D CA . 15385 1 667 . 1 1 62 62 ASP CB C 13 40.390 0.5 . 1 . . . . 62 D CB . 15385 1 668 . 1 1 62 62 ASP N N 15 118.180 0.4 . 1 . . . . 62 D N . 15385 1 669 . 1 1 63 63 GLU H H 1 7.520 0.03 . 1 . . . . 63 E HN . 15385 1 670 . 1 1 63 63 GLU HA H 1 4.210 0.03 . 1 . . . . 63 E HA . 15385 1 671 . 1 1 63 63 GLU HB2 H 1 2.010 0.03 . 2 . . . . 63 E HB1 . 15385 1 672 . 1 1 63 63 GLU HB3 H 1 2.010 0.03 . 2 . . . . 63 E HB2 . 15385 1 673 . 1 1 63 63 GLU HG2 H 1 2.249 0.03 . 2 . . . . 63 E HG1 . 15385 1 674 . 1 1 63 63 GLU HG3 H 1 2.411 0.03 . 2 . . . . 63 E HG2 . 15385 1 675 . 1 1 63 63 GLU CA C 13 57.800 0.5 . 1 . . . . 63 E CA . 15385 1 676 . 1 1 63 63 GLU CB C 13 30.750 0.5 . 1 . . . . 63 E CB . 15385 1 677 . 1 1 63 63 GLU CG C 13 35.900 0.5 . 1 . . . . 63 E CG . 15385 1 678 . 1 1 63 63 GLU N N 15 116.000 0.4 . 1 . . . . 63 E N . 15385 1 679 . 1 1 64 64 VAL H H 1 8.000 0.03 . 1 . . . . 64 V HN . 15385 1 680 . 1 1 64 64 VAL HA H 1 4.209 0.03 . 1 . . . . 64 V HA . 15385 1 681 . 1 1 64 64 VAL HB H 1 2.239 0.03 . 1 . . . . 64 V HB . 15385 1 682 . 1 1 64 64 VAL HG11 H 1 0.888 0.03 . 2 . . . . 64 V HG1 . 15385 1 683 . 1 1 64 64 VAL HG12 H 1 0.888 0.03 . 2 . . . . 64 V HG1 . 15385 1 684 . 1 1 64 64 VAL HG13 H 1 0.888 0.03 . 2 . . . . 64 V HG1 . 15385 1 685 . 1 1 64 64 VAL HG21 H 1 0.888 0.03 . 2 . . . . 64 V HG2 . 15385 1 686 . 1 1 64 64 VAL HG22 H 1 0.888 0.03 . 2 . . . . 64 V HG2 . 15385 1 687 . 1 1 64 64 VAL HG23 H 1 0.888 0.03 . 2 . . . . 64 V HG2 . 15385 1 688 . 1 1 64 64 VAL CA C 13 63.100 0.5 . 1 . . . . 64 V CA . 15385 1 689 . 1 1 64 64 VAL CB C 13 32.300 0.5 . 1 . . . . 64 V CB . 15385 1 690 . 1 1 64 64 VAL CG1 C 13 21.460 0.5 . 2 . . . . 64 V CG1 . 15385 1 691 . 1 1 64 64 VAL CG2 C 13 21.460 0.5 . 2 . . . . 64 V CG2 . 15385 1 692 . 1 1 64 64 VAL N N 15 114.000 0.4 . 1 . . . . 64 V N . 15385 1 693 . 1 1 65 65 ASP H H 1 8.150 0.03 . 1 . . . . 65 D HN . 15385 1 694 . 1 1 65 65 ASP HA H 1 4.976 0.03 . 1 . . . . 65 D HA . 15385 1 695 . 1 1 65 65 ASP HB2 H 1 2.178 0.03 . 2 . . . . 65 D HB1 . 15385 1 696 . 1 1 65 65 ASP HB3 H 1 2.920 0.03 . 2 . . . . 65 D HB2 . 15385 1 697 . 1 1 65 65 ASP CA C 13 52.790 0.5 . 1 . . . . 65 D CA . 15385 1 698 . 1 1 65 65 ASP CB C 13 39.130 0.5 . 1 . . . . 65 D CB . 15385 1 699 . 1 1 65 65 ASP N N 15 120.430 0.4 . 1 . . . . 65 D N . 15385 1 700 . 1 1 66 66 GLU H H 1 8.270 0.03 . 1 . . . . 66 E HN . 15385 1 701 . 1 1 66 66 GLU HA H 1 4.051 0.03 . 1 . . . . 66 E HA . 15385 1 702 . 1 1 66 66 GLU HB2 H 1 2.415 0.03 . 2 . . . . 66 E HB1 . 15385 1 703 . 1 1 66 66 GLU HB3 H 1 2.415 0.03 . 2 . . . . 66 E HB2 . 15385 1 704 . 1 1 66 66 GLU HG2 H 1 2.415 0.03 . 2 . . . . 66 E HG1 . 15385 1 705 . 1 1 66 66 GLU HG3 H 1 2.415 0.03 . 2 . . . . 66 E HG2 . 15385 1 706 . 1 1 66 66 GLU CA C 13 59.110 0.5 . 1 . . . . 66 E CA . 15385 1 707 . 1 1 66 66 GLU CB C 13 30.410 0.5 . 1 . . . . 66 E CB . 15385 1 708 . 1 1 66 66 GLU CG C 13 36.320 0.5 . 1 . . . . 66 E CG . 15385 1 709 . 1 1 66 66 GLU N N 15 126.630 0.4 . 1 . . . . 66 E N . 15385 1 710 . 1 1 67 67 ASP H H 1 8.010 0.03 . 1 . . . . 67 D HN . 15385 1 711 . 1 1 67 67 ASP HA H 1 4.647 0.03 . 1 . . . . 67 D HA . 15385 1 712 . 1 1 67 67 ASP HB2 H 1 2.746 0.03 . 2 . . . . 67 D HB1 . 15385 1 713 . 1 1 67 67 ASP HB3 H 1 3.096 0.03 . 2 . . . . 67 D HB2 . 15385 1 714 . 1 1 67 67 ASP CA C 13 52.490 0.5 . 1 . . . . 67 D CA . 15385 1 715 . 1 1 67 67 ASP CB C 13 39.800 0.5 . 1 . . . . 67 D CB . 15385 1 716 . 1 1 67 67 ASP N N 15 114.010 0.4 . 1 . . . . 67 D N . 15385 1 717 . 1 1 68 68 GLY H H 1 7.900 0.03 . 1 . . . . 68 G HN . 15385 1 718 . 1 1 68 68 GLY HA2 H 1 3.840 0.03 . 2 . . . . 68 G HA1 . 15385 1 719 . 1 1 68 68 GLY HA3 H 1 3.840 0.03 . 2 . . . . 68 G HA2 . 15385 1 720 . 1 1 68 68 GLY CA C 13 47.020 0.5 . 1 . . . . 68 G CA . 15385 1 721 . 1 1 68 68 GLY N N 15 109.250 0.4 . 1 . . . . 68 G N . 15385 1 722 . 1 1 69 69 SER H H 1 8.420 0.03 . 1 . . . . 69 S HN . 15385 1 723 . 1 1 69 69 SER HA H 1 4.208 0.03 . 1 . . . . 69 S HA . 15385 1 724 . 1 1 69 69 SER HB2 H 1 3.931 0.03 . 2 . . . . 69 S HB1 . 15385 1 725 . 1 1 69 69 SER HB3 H 1 3.931 0.03 . 2 . . . . 69 S HB2 . 15385 1 726 . 1 1 69 69 SER CA C 13 60.070 0.5 . 1 . . . . 69 S CA . 15385 1 727 . 1 1 69 69 SER CB C 13 64.720 0.5 . 1 . . . . 69 S CB . 15385 1 728 . 1 1 69 69 SER N N 15 115.750 0.4 . 1 . . . . 69 S N . 15385 1 729 . 1 1 70 70 GLY H H 1 10.750 0.03 . 1 . . . . 70 G HN . 15385 1 730 . 1 1 70 70 GLY HA2 H 1 4.210 0.03 . 2 . . . . 70 G HA1 . 15385 1 731 . 1 1 70 70 GLY HA3 H 1 3.610 0.03 . 2 . . . . 70 G HA2 . 15385 1 732 . 1 1 70 70 GLY CA C 13 45.780 0.5 . 1 . . . . 70 G CA . 15385 1 733 . 1 1 70 70 GLY N N 15 116.260 0.4 . 1 . . . . 70 G N . 15385 1 734 . 1 1 71 71 THR H H 1 7.850 0.03 . 1 . . . . 71 T HN . 15385 1 735 . 1 1 71 71 THR HA H 1 5.001 0.03 . 1 . . . . 71 T HA . 15385 1 736 . 1 1 71 71 THR HB H 1 4.012 0.03 . 1 . . . . 71 T HB . 15385 1 737 . 1 1 71 71 THR HG21 H 1 1.082 0.03 . 1 . . . . 71 T HG2 . 15385 1 738 . 1 1 71 71 THR HG22 H 1 1.082 0.03 . 1 . . . . 71 T HG2 . 15385 1 739 . 1 1 71 71 THR HG23 H 1 1.082 0.03 . 1 . . . . 71 T HG2 . 15385 1 740 . 1 1 71 71 THR CA C 13 58.320 0.5 . 1 . . . . 71 T CA . 15385 1 741 . 1 1 71 71 THR CB C 13 72.950 0.5 . 1 . . . . 71 T CB . 15385 1 742 . 1 1 71 71 THR CG2 C 13 22.520 0.5 . 1 . . . . 71 T CG2 . 15385 1 743 . 1 1 71 71 THR N N 15 110.000 0.4 . 1 . . . . 71 T N . 15385 1 744 . 1 1 72 72 VAL H H 1 9.680 0.03 . 1 . . . . 72 V HN . 15385 1 745 . 1 1 72 72 VAL HA H 1 5.122 0.03 . 1 . . . . 72 V HA . 15385 1 746 . 1 1 72 72 VAL HB H 1 2.163 0.03 . 1 . . . . 72 V HB . 15385 1 747 . 1 1 72 72 VAL HG11 H 1 1.156 0.03 . 2 . . . . 72 V HG1 . 15385 1 748 . 1 1 72 72 VAL HG12 H 1 1.156 0.03 . 2 . . . . 72 V HG1 . 15385 1 749 . 1 1 72 72 VAL HG13 H 1 1.156 0.03 . 2 . . . . 72 V HG1 . 15385 1 750 . 1 1 72 72 VAL HG21 H 1 0.861 0.03 . 2 . . . . 72 V HG2 . 15385 1 751 . 1 1 72 72 VAL HG22 H 1 0.861 0.03 . 2 . . . . 72 V HG2 . 15385 1 752 . 1 1 72 72 VAL HG23 H 1 0.861 0.03 . 2 . . . . 72 V HG2 . 15385 1 753 . 1 1 72 72 VAL CA C 13 60.910 0.5 . 1 . . . . 72 V CA . 15385 1 754 . 1 1 72 72 VAL CB C 13 33.690 0.5 . 1 . . . . 72 V CB . 15385 1 755 . 1 1 72 72 VAL CG1 C 13 21.690 0.5 . 2 . . . . 72 V CG1 . 15385 1 756 . 1 1 72 72 VAL CG2 C 13 21.850 0.5 . 2 . . . . 72 V CG2 . 15385 1 757 . 1 1 72 72 VAL N N 15 126.310 0.4 . 1 . . . . 72 V N . 15385 1 758 . 1 1 73 73 ASP H H 1 8.630 0.03 . 1 . . . . 73 D HN . 15385 1 759 . 1 1 73 73 ASP HA H 1 5.179 0.03 . 1 . . . . 73 D HA . 15385 1 760 . 1 1 73 73 ASP HB2 H 1 2.862 0.03 . 2 . . . . 73 D HB1 . 15385 1 761 . 1 1 73 73 ASP HB3 H 1 3.257 0.03 . 2 . . . . 73 D HB2 . 15385 1 762 . 1 1 73 73 ASP CA C 13 52.510 0.5 . 1 . . . . 73 D CA . 15385 1 763 . 1 1 73 73 ASP CB C 13 41.790 0.5 . 1 . . . . 73 D CB . 15385 1 764 . 1 1 73 73 ASP N N 15 127.350 0.4 . 1 . . . . 73 D N . 15385 1 765 . 1 1 74 74 PHE H H 1 8.840 0.03 . 1 . . . . 74 F HN . 15385 1 766 . 1 1 74 74 PHE HA H 1 3.418 0.03 . 1 . . . . 74 F HA . 15385 1 767 . 1 1 74 74 PHE HB2 H 1 2.510 0.03 . 2 . . . . 74 F HB1 . 15385 1 768 . 1 1 74 74 PHE HB3 H 1 2.637 0.03 . 2 . . . . 74 F HB2 . 15385 1 769 . 1 1 74 74 PHE CA C 13 61.410 0.5 . 1 . . . . 74 F CA . 15385 1 770 . 1 1 74 74 PHE CB C 13 38.600 0.5 . 1 . . . . 74 F CB . 15385 1 771 . 1 1 74 74 PHE N N 15 118.600 0.4 . 1 . . . . 74 F N . 15385 1 772 . 1 1 75 75 ASP H H 1 7.800 0.03 . 1 . . . . 75 D HN . 15385 1 773 . 1 1 75 75 ASP HA H 1 4.489 0.03 . 1 . . . . 75 D HA . 15385 1 774 . 1 1 75 75 ASP HB2 H 1 4.028 0.03 . 2 . . . . 75 D HB1 . 15385 1 775 . 1 1 75 75 ASP HB3 H 1 4.231 0.03 . 2 . . . . 75 D HB2 . 15385 1 776 . 1 1 75 75 ASP CA C 13 57.940 0.5 . 1 . . . . 75 D CA . 15385 1 777 . 1 1 75 75 ASP CB C 13 40.320 0.5 . 1 . . . . 75 D CB . 15385 1 778 . 1 1 75 75 ASP N N 15 117.290 0.4 . 1 . . . . 75 D N . 15385 1 779 . 1 1 76 76 GLU H H 1 8.210 0.03 . 1 . . . . 76 E HN . 15385 1 780 . 1 1 76 76 GLU HA H 1 4.106 0.03 . 1 . . . . 76 E HA . 15385 1 781 . 1 1 76 76 GLU HB2 H 1 2.053 0.03 . 2 . . . . 76 E HB1 . 15385 1 782 . 1 1 76 76 GLU HB3 H 1 2.142 0.03 . 2 . . . . 76 E HB2 . 15385 1 783 . 1 1 76 76 GLU HG2 H 1 2.415 0.03 . 2 . . . . 76 E HG1 . 15385 1 784 . 1 1 76 76 GLU HG3 H 1 2.309 0.03 . 2 . . . . 76 E HG2 . 15385 1 785 . 1 1 76 76 GLU CA C 13 58.440 0.5 . 1 . . . . 76 E CA . 15385 1 786 . 1 1 76 76 GLU CB C 13 30.030 0.5 . 1 . . . . 76 E CB . 15385 1 787 . 1 1 76 76 GLU CG C 13 36.490 0.5 . 1 . . . . 76 E CG . 15385 1 788 . 1 1 76 76 GLU N N 15 120.390 0.4 . 1 . . . . 76 E N . 15385 1 789 . 1 1 77 77 PHE H H 1 8.820 0.03 . 1 . . . . 77 F HN . 15385 1 790 . 1 1 77 77 PHE HA H 1 3.917 0.03 . 1 . . . . 77 F HA . 15385 1 791 . 1 1 77 77 PHE HB2 H 1 3.076 0.03 . 2 . . . . 77 F HB1 . 15385 1 792 . 1 1 77 77 PHE HB3 H 1 3.076 0.03 . 2 . . . . 77 F HB2 . 15385 1 793 . 1 1 77 77 PHE HD1 H 1 6.625 0.03 . 3 . . . . 77 F HD1 . 15385 1 794 . 1 1 77 77 PHE HE1 H 1 7.169 0.03 . 3 . . . . 77 F HE1 . 15385 1 795 . 1 1 77 77 PHE CA C 13 61.070 0.5 . 1 . . . . 77 F CA . 15385 1 796 . 1 1 77 77 PHE CB C 13 39.720 0.5 . 1 . . . . 77 F CB . 15385 1 797 . 1 1 77 77 PHE CD1 C 13 132.110 0.5 . 3 . . . . 77 F CD1 . 15385 1 798 . 1 1 77 77 PHE CE1 C 13 130.311 0.5 . 3 . . . . 77 F CE1 . 15385 1 799 . 1 1 77 77 PHE N N 15 121.610 0.4 . 1 . . . . 77 F N . 15385 1 800 . 1 1 78 78 LEU H H 1 8.080 0.03 . 1 . . . . 78 L HN . 15385 1 801 . 1 1 78 78 LEU HA H 1 3.367 0.03 . 1 . . . . 78 L HA . 15385 1 802 . 1 1 78 78 LEU HB2 H 1 1.065 0.03 . 2 . . . . 78 L HB1 . 15385 1 803 . 1 1 78 78 LEU HB3 H 1 1.065 0.03 . 2 . . . . 78 L HB2 . 15385 1 804 . 1 1 78 78 LEU HD11 H 1 0.685 0.03 . 2 . . . . 78 L HD1 . 15385 1 805 . 1 1 78 78 LEU HD12 H 1 0.685 0.03 . 2 . . . . 78 L HD1 . 15385 1 806 . 1 1 78 78 LEU HD13 H 1 0.685 0.03 . 2 . . . . 78 L HD1 . 15385 1 807 . 1 1 78 78 LEU HD21 H 1 0.641 0.03 . 2 . . . . 78 L HD2 . 15385 1 808 . 1 1 78 78 LEU HD22 H 1 0.641 0.03 . 2 . . . . 78 L HD2 . 15385 1 809 . 1 1 78 78 LEU HD23 H 1 0.641 0.03 . 2 . . . . 78 L HD2 . 15385 1 810 . 1 1 78 78 LEU HG H 1 1.809 0.03 . 1 . . . . 78 L HG . 15385 1 811 . 1 1 78 78 LEU CA C 13 58.070 0.5 . 1 . . . . 78 L CA . 15385 1 812 . 1 1 78 78 LEU CB C 13 41.530 0.5 . 1 . . . . 78 L CB . 15385 1 813 . 1 1 78 78 LEU CD1 C 13 23.960 0.5 . 2 . . . . 78 L CD1 . 15385 1 814 . 1 1 78 78 LEU CD2 C 13 25.810 0.5 . 2 . . . . 78 L CD2 . 15385 1 815 . 1 1 78 78 LEU N N 15 118.580 0.4 . 1 . . . . 78 L N . 15385 1 816 . 1 1 79 79 VAL H H 1 7.080 0.03 . 1 . . . . 79 V HN . 15385 1 817 . 1 1 79 79 VAL HA H 1 3.247 0.03 . 1 . . . . 79 V HA . 15385 1 818 . 1 1 79 79 VAL HB H 1 2.213 0.03 . 1 . . . . 79 V HB . 15385 1 819 . 1 1 79 79 VAL HG11 H 1 1.008 0.03 . 2 . . . . 79 V HG1 . 15385 1 820 . 1 1 79 79 VAL HG12 H 1 1.008 0.03 . 2 . . . . 79 V HG1 . 15385 1 821 . 1 1 79 79 VAL HG13 H 1 1.008 0.03 . 2 . . . . 79 V HG1 . 15385 1 822 . 1 1 79 79 VAL HG21 H 1 0.638 0.03 . 2 . . . . 79 V HG2 . 15385 1 823 . 1 1 79 79 VAL HG22 H 1 0.638 0.03 . 2 . . . . 79 V HG2 . 15385 1 824 . 1 1 79 79 VAL HG23 H 1 0.638 0.03 . 2 . . . . 79 V HG2 . 15385 1 825 . 1 1 79 79 VAL CA C 13 66.570 0.5 . 1 . . . . 79 V CA . 15385 1 826 . 1 1 79 79 VAL CB C 13 30.910 0.5 . 1 . . . . 79 V CB . 15385 1 827 . 1 1 79 79 VAL CG1 C 13 23.380 0.5 . 2 . . . . 79 V CG1 . 15385 1 828 . 1 1 79 79 VAL CG2 C 13 21.780 0.5 . 2 . . . . 79 V CG2 . 15385 1 829 . 1 1 79 79 VAL N N 15 117.820 0.4 . 1 . . . . 79 V N . 15385 1 830 . 1 1 80 80 MET H H 1 7.710 0.03 . 1 . . . . 80 M HN . 15385 1 831 . 1 1 80 80 MET HA H 1 3.617 0.03 . 1 . . . . 80 M HA . 15385 1 832 . 1 1 80 80 MET HB2 H 1 1.922 0.03 . 2 . . . . 80 M HB1 . 15385 1 833 . 1 1 80 80 MET HB3 H 1 2.094 0.03 . 2 . . . . 80 M HB2 . 15385 1 834 . 1 1 80 80 MET HE1 H 1 1.798 0.03 . 1 . . . . 80 M HE . 15385 1 835 . 1 1 80 80 MET HE2 H 1 1.798 0.03 . 1 . . . . 80 M HE . 15385 1 836 . 1 1 80 80 MET HE3 H 1 1.798 0.03 . 1 . . . . 80 M HE . 15385 1 837 . 1 1 80 80 MET HG2 H 1 2.493 0.03 . 2 . . . . 80 M HG1 . 15385 1 838 . 1 1 80 80 MET HG3 H 1 2.493 0.03 . 2 . . . . 80 M HG2 . 15385 1 839 . 1 1 80 80 MET CA C 13 59.160 0.5 . 1 . . . . 80 M CA . 15385 1 840 . 1 1 80 80 MET CB C 13 32.680 0.5 . 1 . . . . 80 M CB . 15385 1 841 . 1 1 80 80 MET CE C 13 17.930 0.5 . 1 . . . . 80 M CE . 15385 1 842 . 1 1 80 80 MET CG C 13 32.220 0.5 . 1 . . . . 80 M CG . 15385 1 843 . 1 1 80 80 MET N N 15 119.120 0.4 . 1 . . . . 80 M N . 15385 1 844 . 1 1 81 81 MET H H 1 8.000 0.03 . 1 . . . . 81 M HN . 15385 1 845 . 1 1 81 81 MET HA H 1 4.017 0.03 . 1 . . . . 81 M HA . 15385 1 846 . 1 1 81 81 MET HB2 H 1 1.030 0.03 . 2 . . . . 81 M HB1 . 15385 1 847 . 1 1 81 81 MET HB3 H 1 1.520 0.03 . 2 . . . . 81 M HB2 . 15385 1 848 . 1 1 81 81 MET HE1 H 1 2.131 0.03 . 1 . . . . 81 M HE . 15385 1 849 . 1 1 81 81 MET HE2 H 1 2.131 0.03 . 1 . . . . 81 M HE . 15385 1 850 . 1 1 81 81 MET HE3 H 1 2.131 0.03 . 1 . . . . 81 M HE . 15385 1 851 . 1 1 81 81 MET HG2 H 1 1.230 0.03 . 2 . . . . 81 M HG1 . 15385 1 852 . 1 1 81 81 MET HG3 H 1 1.230 0.03 . 2 . . . . 81 M HG2 . 15385 1 853 . 1 1 81 81 MET CA C 13 56.100 0.5 . 1 . . . . 81 M CA . 15385 1 854 . 1 1 81 81 MET CB C 13 30.790 0.5 . 1 . . . . 81 M CB . 15385 1 855 . 1 1 81 81 MET CE C 13 17.880 0.5 . 1 . . . . 81 M CE . 15385 1 856 . 1 1 81 81 MET CG C 13 32.130 0.5 . 1 . . . . 81 M CG . 15385 1 857 . 1 1 81 81 MET N N 15 117.460 0.4 . 1 . . . . 81 M N . 15385 1 858 . 1 1 82 82 VAL H H 1 8.060 0.03 . 1 . . . . 82 V HN . 15385 1 859 . 1 1 82 82 VAL HA H 1 3.942 0.03 . 1 . . . . 82 V HA . 15385 1 860 . 1 1 82 82 VAL HB H 1 2.207 0.03 . 1 . . . . 82 V HB . 15385 1 861 . 1 1 82 82 VAL HG11 H 1 0.986 0.03 . 2 . . . . 82 V HG1 . 15385 1 862 . 1 1 82 82 VAL HG12 H 1 0.986 0.03 . 2 . . . . 82 V HG1 . 15385 1 863 . 1 1 82 82 VAL HG13 H 1 0.986 0.03 . 2 . . . . 82 V HG1 . 15385 1 864 . 1 1 82 82 VAL HG21 H 1 1.116 0.03 . 2 . . . . 82 V HG2 . 15385 1 865 . 1 1 82 82 VAL HG22 H 1 1.116 0.03 . 2 . . . . 82 V HG2 . 15385 1 866 . 1 1 82 82 VAL HG23 H 1 1.116 0.03 . 2 . . . . 82 V HG2 . 15385 1 867 . 1 1 82 82 VAL CA C 13 65.710 0.5 . 1 . . . . 82 V CA . 15385 1 868 . 1 1 82 82 VAL CB C 13 31.230 0.5 . 1 . . . . 82 V CB . 15385 1 869 . 1 1 82 82 VAL CG1 C 13 21.810 0.5 . 2 . . . . 82 V CG1 . 15385 1 870 . 1 1 82 82 VAL CG2 C 13 21.810 0.5 . 2 . . . . 82 V CG2 . 15385 1 871 . 1 1 82 82 VAL N N 15 117.340 0.4 . 1 . . . . 82 V N . 15385 1 872 . 1 1 83 83 ARG H H 1 8.080 0.03 . 1 . . . . 83 R HN . 15385 1 873 . 1 1 83 83 ARG HA H 1 3.841 0.03 . 1 . . . . 83 R HA . 15385 1 874 . 1 1 83 83 ARG HB2 H 1 1.444 0.03 . 2 . . . . 83 R HB1 . 15385 1 875 . 1 1 83 83 ARG HB3 H 1 1.503 0.03 . 2 . . . . 83 R HB2 . 15385 1 876 . 1 1 83 83 ARG HD2 H 1 2.714 0.03 . 2 . . . . 83 R HD1 . 15385 1 877 . 1 1 83 83 ARG HD3 H 1 2.714 0.03 . 2 . . . . 83 R HD2 . 15385 1 878 . 1 1 83 83 ARG HG2 H 1 1.679 0.03 . 2 . . . . 83 R HG1 . 15385 1 879 . 1 1 83 83 ARG HG3 H 1 1.679 0.03 . 2 . . . . 83 R HG2 . 15385 1 880 . 1 1 83 83 ARG CA C 13 58.980 0.5 . 1 . . . . 83 R CA . 15385 1 881 . 1 1 83 83 ARG CB C 13 30.040 0.5 . 1 . . . . 83 R CB . 15385 1 882 . 1 1 83 83 ARG CD C 13 43.720 0.5 . 1 . . . . 83 R CD . 15385 1 883 . 1 1 83 83 ARG CG C 13 27.170 0.5 . 1 . . . . 83 R CG . 15385 1 884 . 1 1 83 83 ARG N N 15 120.670 0.4 . 1 . . . . 83 R N . 15385 1 885 . 1 1 84 84 SER H H 1 7.710 0.03 . 1 . . . . 84 S HN . 15385 1 886 . 1 1 84 84 SER HA H 1 4.260 0.03 . 1 . . . . 84 S HA . 15385 1 887 . 1 1 84 84 SER HB2 H 1 3.838 0.03 . 2 . . . . 84 S HB1 . 15385 1 888 . 1 1 84 84 SER HB3 H 1 3.838 0.03 . 2 . . . . 84 S HB2 . 15385 1 889 . 1 1 84 84 SER CA C 13 60.250 0.5 . 1 . . . . 84 S CA . 15385 1 890 . 1 1 84 84 SER CB C 13 63.580 0.5 . 1 . . . . 84 S CB . 15385 1 891 . 1 1 84 84 SER N N 15 113.490 0.4 . 1 . . . . 84 S N . 15385 1 892 . 1 1 85 85 MET H H 1 7.650 0.03 . 1 . . . . 85 M HN . 15385 1 893 . 1 1 85 85 MET HA H 1 4.308 0.03 . 1 . . . . 85 M HA . 15385 1 894 . 1 1 85 85 MET HB2 H 1 2.194 0.03 . 2 . . . . 85 M HB1 . 15385 1 895 . 1 1 85 85 MET HB3 H 1 2.096 0.03 . 2 . . . . 85 M HB2 . 15385 1 896 . 1 1 85 85 MET HE1 H 1 2.121 0.03 . 1 . . . . 85 M HE . 15385 1 897 . 1 1 85 85 MET HE2 H 1 2.121 0.03 . 1 . . . . 85 M HE . 15385 1 898 . 1 1 85 85 MET HE3 H 1 2.121 0.03 . 1 . . . . 85 M HE . 15385 1 899 . 1 1 85 85 MET HG2 H 1 2.558 0.03 . 2 . . . . 85 M HG1 . 15385 1 900 . 1 1 85 85 MET HG3 H 1 2.779 0.03 . 2 . . . . 85 M HG2 . 15385 1 901 . 1 1 85 85 MET CA C 13 57.000 0.5 . 1 . . . . 85 M CA . 15385 1 902 . 1 1 85 85 MET CB C 13 33.630 0.5 . 1 . . . . 85 M CB . 15385 1 903 . 1 1 85 85 MET CE C 13 16.970 0.5 . 1 . . . . 85 M CE . 15385 1 904 . 1 1 85 85 MET CG C 13 32.150 0.5 . 1 . . . . 85 M CG . 15385 1 905 . 1 1 85 85 MET N N 15 119.980 0.4 . 1 . . . . 85 M N . 15385 1 906 . 1 1 86 86 LYS H H 1 7.830 0.03 . 1 . . . . 86 K HN . 15385 1 907 . 1 1 86 86 LYS HA H 1 4.307 0.03 . 1 . . . . 86 K HA . 15385 1 908 . 1 1 86 86 LYS HB2 H 1 1.868 0.03 . 2 . . . . 86 K HB1 . 15385 1 909 . 1 1 86 86 LYS HB3 H 1 1.868 0.03 . 2 . . . . 86 K HB2 . 15385 1 910 . 1 1 86 86 LYS HD2 H 1 1.696 0.03 . 2 . . . . 86 K HD1 . 15385 1 911 . 1 1 86 86 LYS HD3 H 1 1.696 0.03 . 2 . . . . 86 K HD2 . 15385 1 912 . 1 1 86 86 LYS HE2 H 1 3.007 0.03 . 2 . . . . 86 K HE1 . 15385 1 913 . 1 1 86 86 LYS HE3 H 1 3.007 0.03 . 2 . . . . 86 K HE2 . 15385 1 914 . 1 1 86 86 LYS HG2 H 1 1.480 0.03 . 2 . . . . 86 K HG1 . 15385 1 915 . 1 1 86 86 LYS HG3 H 1 1.480 0.03 . 2 . . . . 86 K HG2 . 15385 1 916 . 1 1 86 86 LYS CA C 13 56.630 0.5 . 1 . . . . 86 K CA . 15385 1 917 . 1 1 86 86 LYS CB C 13 33.060 0.5 . 1 . . . . 86 K CB . 15385 1 918 . 1 1 86 86 LYS CD C 13 29.120 0.5 . 1 . . . . 86 K CD . 15385 1 919 . 1 1 86 86 LYS CE C 13 42.150 0.5 . 1 . . . . 86 K CE . 15385 1 920 . 1 1 86 86 LYS CG C 13 24.500 0.5 . 1 . . . . 86 K CG . 15385 1 921 . 1 1 86 86 LYS N N 15 120.730 0.4 . 1 . . . . 86 K N . 15385 1 922 . 1 1 87 87 ASP H H 1 8.250 0.03 . 1 . . . . 87 D HN . 15385 1 923 . 1 1 87 87 ASP HA H 1 4.674 0.03 . 1 . . . . 87 D HA . 15385 1 924 . 1 1 87 87 ASP HB2 H 1 2.711 0.03 . 2 . . . . 87 D HB1 . 15385 1 925 . 1 1 87 87 ASP HB3 H 1 2.711 0.03 . 2 . . . . 87 D HB2 . 15385 1 926 . 1 1 87 87 ASP CA C 13 54.330 0.5 . 1 . . . . 87 D CA . 15385 1 927 . 1 1 87 87 ASP CB C 13 41.220 0.5 . 1 . . . . 87 D CB . 15385 1 928 . 1 1 87 87 ASP N N 15 121.600 0.4 . 1 . . . . 87 D N . 15385 1 929 . 1 1 88 88 ASP H H 1 8.320 0.03 . 1 . . . . 88 D HN . 15385 1 930 . 1 1 88 88 ASP HA H 1 4.669 0.03 . 1 . . . . 88 D HA . 15385 1 931 . 1 1 88 88 ASP HB2 H 1 2.688 0.03 . 2 . . . . 88 D HB1 . 15385 1 932 . 1 1 88 88 ASP HB3 H 1 2.688 0.03 . 2 . . . . 88 D HB2 . 15385 1 933 . 1 1 88 88 ASP CA C 13 54.460 0.5 . 1 . . . . 88 D CA . 15385 1 934 . 1 1 88 88 ASP CB C 13 41.130 0.5 . 1 . . . . 88 D CB . 15385 1 935 . 1 1 88 88 ASP N N 15 122.400 0.4 . 1 . . . . 88 D N . 15385 1 936 . 1 1 89 89 SER H H 1 8.330 0.03 . 1 . . . . 89 S HN . 15385 1 937 . 1 1 89 89 SER HA H 1 4.413 0.03 . 1 . . . . 89 S HA . 15385 1 938 . 1 1 89 89 SER HB2 H 1 3.934 0.03 . 2 . . . . 89 S HB1 . 15385 1 939 . 1 1 89 89 SER HB3 H 1 3.934 0.03 . 2 . . . . 89 S HB2 . 15385 1 940 . 1 1 89 89 SER CA C 13 59.000 0.5 . 1 . . . . 89 S CA . 15385 1 941 . 1 1 89 89 SER CB C 13 63.690 0.5 . 1 . . . . 89 S CB . 15385 1 942 . 1 1 89 89 SER N N 15 116.180 0.4 . 1 . . . . 89 S N . 15385 1 943 . 1 1 90 90 LYS H H 1 8.200 0.03 . 1 . . . . 90 K HN . 15385 1 944 . 1 1 90 90 LYS HA H 1 4.366 0.03 . 1 . . . . 90 K HA . 15385 1 945 . 1 1 90 90 LYS HB2 H 1 1.891 0.03 . 2 . . . . 90 K HB1 . 15385 1 946 . 1 1 90 90 LYS HB3 H 1 1.817 0.03 . 2 . . . . 90 K HB2 . 15385 1 947 . 1 1 90 90 LYS HD2 H 1 1.692 0.03 . 2 . . . . 90 K HD1 . 15385 1 948 . 1 1 90 90 LYS HD3 H 1 1.692 0.03 . 2 . . . . 90 K HD2 . 15385 1 949 . 1 1 90 90 LYS HE2 H 1 3.017 0.03 . 2 . . . . 90 K HE1 . 15385 1 950 . 1 1 90 90 LYS HE3 H 1 3.017 0.03 . 2 . . . . 90 K HE2 . 15385 1 951 . 1 1 90 90 LYS HG2 H 1 1.467 0.03 . 2 . . . . 90 K HG1 . 15385 1 952 . 1 1 90 90 LYS HG3 H 1 1.467 0.03 . 2 . . . . 90 K HG2 . 15385 1 953 . 1 1 90 90 LYS CA C 13 56.530 0.5 . 1 . . . . 90 K CA . 15385 1 954 . 1 1 90 90 LYS CB C 13 32.900 0.5 . 1 . . . . 90 K CB . 15385 1 955 . 1 1 90 90 LYS CD C 13 28.960 0.5 . 1 . . . . 90 K CD . 15385 1 956 . 1 1 90 90 LYS CE C 13 42.100 0.5 . 1 . . . . 90 K CE . 15385 1 957 . 1 1 90 90 LYS CG C 13 24.640 0.5 . 1 . . . . 90 K CG . 15385 1 958 . 1 1 90 90 LYS N N 15 122.820 0.4 . 1 . . . . 90 K N . 15385 1 959 . 1 1 91 91 GLY H H 1 8.340 0.03 . 1 . . . . 91 G HN . 15385 1 960 . 1 1 91 91 GLY HA2 H 1 3.987 0.03 . 2 . . . . 91 G HA1 . 15385 1 961 . 1 1 91 91 GLY HA3 H 1 3.987 0.03 . 2 . . . . 91 G HA2 . 15385 1 962 . 1 1 91 91 GLY CA C 13 45.170 0.5 . 1 . . . . 91 G CA . 15385 1 963 . 1 1 91 91 GLY N N 15 109.630 0.4 . 1 . . . . 91 G N . 15385 1 964 . 1 1 92 92 LYS H H 1 8.260 0.03 . 1 . . . . 92 K HN . 15385 1 965 . 1 1 92 92 LYS HA H 1 4.434 0.03 . 1 . . . . 92 K HA . 15385 1 966 . 1 1 92 92 LYS HB2 H 1 1.802 0.03 . 2 . . . . 92 K HB1 . 15385 1 967 . 1 1 92 92 LYS HB3 H 1 1.716 0.03 . 2 . . . . 92 K HB2 . 15385 1 968 . 1 1 92 92 LYS HD2 H 1 1.614 0.03 . 2 . . . . 92 K HD1 . 15385 1 969 . 1 1 92 92 LYS HD3 H 1 1.614 0.03 . 2 . . . . 92 K HD2 . 15385 1 970 . 1 1 92 92 LYS HE2 H 1 2.994 0.03 . 2 . . . . 92 K HE1 . 15385 1 971 . 1 1 92 92 LYS HE3 H 1 2.994 0.03 . 2 . . . . 92 K HE2 . 15385 1 972 . 1 1 92 92 LYS HG2 H 1 1.456 0.03 . 2 . . . . 92 K HG1 . 15385 1 973 . 1 1 92 92 LYS HG3 H 1 1.456 0.03 . 2 . . . . 92 K HG2 . 15385 1 974 . 1 1 92 92 LYS CA C 13 56.130 0.5 . 1 . . . . 92 K CA . 15385 1 975 . 1 1 92 92 LYS CB C 13 33.770 0.5 . 1 . . . . 92 K CB . 15385 1 976 . 1 1 92 92 LYS CD C 13 29.140 0.5 . 1 . . . . 92 K CD . 15385 1 977 . 1 1 92 92 LYS CE C 13 42.140 0.5 . 1 . . . . 92 K CE . 15385 1 978 . 1 1 92 92 LYS CG C 13 25.050 0.5 . 1 . . . . 92 K CG . 15385 1 979 . 1 1 92 92 LYS N N 15 120.770 0.4 . 1 . . . . 92 K N . 15385 1 980 . 1 1 93 93 SER H H 1 8.670 0.03 . 1 . . . . 93 S HN . 15385 1 981 . 1 1 93 93 SER HA H 1 4.492 0.03 . 1 . . . . 93 S HA . 15385 1 982 . 1 1 93 93 SER HB2 H 1 4.230 0.03 . 2 . . . . 93 S HB1 . 15385 1 983 . 1 1 93 93 SER HB3 H 1 4.027 0.03 . 2 . . . . 93 S HB2 . 15385 1 984 . 1 1 93 93 SER CA C 13 58.050 0.5 . 1 . . . . 93 S CA . 15385 1 985 . 1 1 93 93 SER CB C 13 64.670 0.5 . 1 . . . . 93 S CB . 15385 1 986 . 1 1 93 93 SER N N 15 117.780 0.4 . 1 . . . . 93 S N . 15385 1 987 . 1 1 94 94 GLU H H 1 8.830 0.03 . 1 . . . . 94 E HN . 15385 1 988 . 1 1 94 94 GLU HA H 1 4.082 0.03 . 1 . . . . 94 E HA . 15385 1 989 . 1 1 94 94 GLU HB2 H 1 2.091 0.03 . 2 . . . . 94 E HB1 . 15385 1 990 . 1 1 94 94 GLU HB3 H 1 2.091 0.03 . 2 . . . . 94 E HB2 . 15385 1 991 . 1 1 94 94 GLU HG2 H 1 2.226 0.03 . 2 . . . . 94 E HG1 . 15385 1 992 . 1 1 94 94 GLU HG3 H 1 2.226 0.03 . 2 . . . . 94 E HG2 . 15385 1 993 . 1 1 94 94 GLU CA C 13 59.430 0.5 . 1 . . . . 94 E CA . 15385 1 994 . 1 1 94 94 GLU CB C 13 29.370 0.5 . 1 . . . . 94 E CB . 15385 1 995 . 1 1 94 94 GLU CG C 13 36.700 0.5 . 1 . . . . 94 E CG . 15385 1 996 . 1 1 94 94 GLU N N 15 122.220 0.4 . 1 . . . . 94 E N . 15385 1 997 . 1 1 95 95 GLU H H 1 8.540 0.03 . 1 . . . . 95 E HN . 15385 1 998 . 1 1 95 95 GLU HA H 1 4.133 0.03 . 1 . . . . 95 E HA . 15385 1 999 . 1 1 95 95 GLU HB2 H 1 2.046 0.03 . 2 . . . . 95 E HB1 . 15385 1 1000 . 1 1 95 95 GLU HB3 H 1 2.046 0.03 . 2 . . . . 95 E HB2 . 15385 1 1001 . 1 1 95 95 GLU HG2 H 1 2.331 0.03 . 2 . . . . 95 E HG1 . 15385 1 1002 . 1 1 95 95 GLU HG3 H 1 2.331 0.03 . 2 . . . . 95 E HG2 . 15385 1 1003 . 1 1 95 95 GLU CA C 13 59.290 0.5 . 1 . . . . 95 E CA . 15385 1 1004 . 1 1 95 95 GLU CB C 13 29.480 0.5 . 1 . . . . 95 E CB . 15385 1 1005 . 1 1 95 95 GLU CG C 13 36.540 0.5 . 1 . . . . 95 E CG . 15385 1 1006 . 1 1 95 95 GLU N N 15 119.850 0.4 . 1 . . . . 95 E N . 15385 1 1007 . 1 1 96 96 GLU H H 1 8.020 0.03 . 1 . . . . 96 E HN . 15385 1 1008 . 1 1 96 96 GLU HA H 1 4.240 0.03 . 1 . . . . 96 E HA . 15385 1 1009 . 1 1 96 96 GLU HB2 H 1 2.244 0.03 . 2 . . . . 96 E HB1 . 15385 1 1010 . 1 1 96 96 GLU HB3 H 1 2.084 0.03 . 2 . . . . 96 E HB2 . 15385 1 1011 . 1 1 96 96 GLU HG2 H 1 2.402 0.03 . 2 . . . . 96 E HG1 . 15385 1 1012 . 1 1 96 96 GLU HG3 H 1 2.334 0.03 . 2 . . . . 96 E HG2 . 15385 1 1013 . 1 1 96 96 GLU CA C 13 58.820 0.5 . 1 . . . . 96 E CA . 15385 1 1014 . 1 1 96 96 GLU CB C 13 30.070 0.5 . 1 . . . . 96 E CB . 15385 1 1015 . 1 1 96 96 GLU CG C 13 36.890 0.5 . 1 . . . . 96 E CG . 15385 1 1016 . 1 1 96 96 GLU N N 15 120.250 0.4 . 1 . . . . 96 E N . 15385 1 1017 . 1 1 97 97 LEU H H 1 8.440 0.03 . 1 . . . . 97 L HN . 15385 1 1018 . 1 1 97 97 LEU HA H 1 4.351 0.03 . 1 . . . . 97 L HA . 15385 1 1019 . 1 1 97 97 LEU HB2 H 1 2.096 0.03 . 2 . . . . 97 L HB1 . 15385 1 1020 . 1 1 97 97 LEU HB3 H 1 1.566 0.03 . 2 . . . . 97 L HB2 . 15385 1 1021 . 1 1 97 97 LEU HD11 H 1 0.838 0.03 . 2 . . . . 97 L HD1 . 15385 1 1022 . 1 1 97 97 LEU HD12 H 1 0.838 0.03 . 2 . . . . 97 L HD1 . 15385 1 1023 . 1 1 97 97 LEU HD13 H 1 0.838 0.03 . 2 . . . . 97 L HD1 . 15385 1 1024 . 1 1 97 97 LEU HD21 H 1 0.838 0.03 . 2 . . . . 97 L HD2 . 15385 1 1025 . 1 1 97 97 LEU HD22 H 1 0.838 0.03 . 2 . . . . 97 L HD2 . 15385 1 1026 . 1 1 97 97 LEU HD23 H 1 0.838 0.03 . 2 . . . . 97 L HD2 . 15385 1 1027 . 1 1 97 97 LEU HG H 1 1.825 0.03 . 1 . . . . 97 L HG . 15385 1 1028 . 1 1 97 97 LEU CA C 13 58.040 0.5 . 1 . . . . 97 L CA . 15385 1 1029 . 1 1 97 97 LEU CB C 13 41.940 0.5 . 1 . . . . 97 L CB . 15385 1 1030 . 1 1 97 97 LEU CD1 C 13 26.120 0.5 . 2 . . . . 97 L CD1 . 15385 1 1031 . 1 1 97 97 LEU CD2 C 13 23.670 0.5 . 2 . . . . 97 L CD2 . 15385 1 1032 . 1 1 97 97 LEU CG C 13 27.160 0.5 . 1 . . . . 97 L CG . 15385 1 1033 . 1 1 97 97 LEU N N 15 120.800 0.4 . 1 . . . . 97 L N . 15385 1 1034 . 1 1 98 98 SER H H 1 8.600 0.03 . 1 . . . . 98 S HN . 15385 1 1035 . 1 1 98 98 SER HA H 1 4.343 0.03 . 1 . . . . 98 S HA . 15385 1 1036 . 1 1 98 98 SER HB2 H 1 4.092 0.03 . 2 . . . . 98 S HB1 . 15385 1 1037 . 1 1 98 98 SER HB3 H 1 4.092 0.03 . 2 . . . . 98 S HB2 . 15385 1 1038 . 1 1 98 98 SER CA C 13 61.780 0.5 . 1 . . . . 98 S CA . 15385 1 1039 . 1 1 98 98 SER N N 15 116.050 0.4 . 1 . . . . 98 S N . 15385 1 1040 . 1 1 99 99 ASP H H 1 7.870 0.03 . 1 . . . . 99 D HN . 15385 1 1041 . 1 1 99 99 ASP HA H 1 4.664 0.03 . 1 . . . . 99 D HA . 15385 1 1042 . 1 1 99 99 ASP HB2 H 1 2.655 0.03 . 2 . . . . 99 D HB1 . 15385 1 1043 . 1 1 99 99 ASP HB3 H 1 2.862 0.03 . 2 . . . . 99 D HB2 . 15385 1 1044 . 1 1 99 99 ASP CA C 13 57.330 0.5 . 1 . . . . 99 D CA . 15385 1 1045 . 1 1 99 99 ASP CB C 13 40.430 0.5 . 1 . . . . 99 D CB . 15385 1 1046 . 1 1 99 99 ASP N N 15 121.620 0.4 . 1 . . . . 99 D N . 15385 1 1047 . 1 1 100 100 LEU H H 1 8.010 0.03 . 1 . . . . 100 L HN . 15385 1 1048 . 1 1 100 100 LEU HA H 1 4.136 0.03 . 1 . . . . 100 L HA . 15385 1 1049 . 1 1 100 100 LEU HB2 H 1 2.112 0.03 . 2 . . . . 100 L HB1 . 15385 1 1050 . 1 1 100 100 LEU HB3 H 1 1.908 0.03 . 2 . . . . 100 L HB2 . 15385 1 1051 . 1 1 100 100 LEU HD11 H 1 1.091 0.03 . 2 . . . . 100 L HD1 . 15385 1 1052 . 1 1 100 100 LEU HD12 H 1 1.091 0.03 . 2 . . . . 100 L HD1 . 15385 1 1053 . 1 1 100 100 LEU HD13 H 1 1.091 0.03 . 2 . . . . 100 L HD1 . 15385 1 1054 . 1 1 100 100 LEU HD21 H 1 1.161 0.03 . 2 . . . . 100 L HD2 . 15385 1 1055 . 1 1 100 100 LEU HD22 H 1 1.161 0.03 . 2 . . . . 100 L HD2 . 15385 1 1056 . 1 1 100 100 LEU HD23 H 1 1.161 0.03 . 2 . . . . 100 L HD2 . 15385 1 1057 . 1 1 100 100 LEU HG H 1 1.891 0.03 . 1 . . . . 100 L HG . 15385 1 1058 . 1 1 100 100 LEU CA C 13 57.930 0.5 . 1 . . . . 100 L CA . 15385 1 1059 . 1 1 100 100 LEU CB C 13 42.510 0.5 . 1 . . . . 100 L CB . 15385 1 1060 . 1 1 100 100 LEU CD1 C 13 24.530 0.5 . 2 . . . . 100 L CD1 . 15385 1 1061 . 1 1 100 100 LEU CD2 C 13 24.860 0.5 . 2 . . . . 100 L CD2 . 15385 1 1062 . 1 1 100 100 LEU CG C 13 27.150 0.5 . 1 . . . . 100 L CG . 15385 1 1063 . 1 1 100 100 LEU N N 15 122.000 0.4 . 1 . . . . 100 L N . 15385 1 1064 . 1 1 101 101 PHE H H 1 8.400 0.03 . 1 . . . . 101 F HN . 15385 1 1065 . 1 1 101 101 PHE HA H 1 3.264 0.03 . 1 . . . . 101 F HA . 15385 1 1066 . 1 1 101 101 PHE HB2 H 1 2.813 0.03 . 2 . . . . 101 F HB1 . 15385 1 1067 . 1 1 101 101 PHE HB3 H 1 3.104 0.03 . 2 . . . . 101 F HB2 . 15385 1 1068 . 1 1 101 101 PHE HD1 H 1 6.429 0.03 . 3 . . . . 101 F HD1 . 15385 1 1069 . 1 1 101 101 PHE HE1 H 1 6.957 0.03 . 3 . . . . 101 F HE1 . 15385 1 1070 . 1 1 101 101 PHE HZ H 1 7.128 0.03 . 1 . . . . 101 F HZ . 15385 1 1071 . 1 1 101 101 PHE CA C 13 62.130 0.5 . 1 . . . . 101 F CA . 15385 1 1072 . 1 1 101 101 PHE CB C 13 39.230 0.5 . 1 . . . . 101 F CB . 15385 1 1073 . 1 1 101 101 PHE CD1 C 13 131.758 0.5 . 3 . . . . 101 F CD1 . 15385 1 1074 . 1 1 101 101 PHE CE1 C 13 130.867 0.5 . 3 . . . . 101 F CE1 . 15385 1 1075 . 1 1 101 101 PHE CZ C 13 133.252 0.5 . 1 . . . . 101 F CZ . 15385 1 1076 . 1 1 101 101 PHE N N 15 119.380 0.4 . 1 . . . . 101 F N . 15385 1 1077 . 1 1 102 102 ARG H H 1 7.720 0.03 . 1 . . . . 102 R HN . 15385 1 1078 . 1 1 102 102 ARG HA H 1 3.930 0.03 . 1 . . . . 102 R HA . 15385 1 1079 . 1 1 102 102 ARG HB2 H 1 1.940 0.03 . 2 . . . . 102 R HB1 . 15385 1 1080 . 1 1 102 102 ARG HB3 H 1 1.898 0.03 . 2 . . . . 102 R HB2 . 15385 1 1081 . 1 1 102 102 ARG HD2 H 1 3.244 0.03 . 2 . . . . 102 R HD1 . 15385 1 1082 . 1 1 102 102 ARG HD3 H 1 3.244 0.03 . 2 . . . . 102 R HD2 . 15385 1 1083 . 1 1 102 102 ARG HG2 H 1 1.908 0.03 . 2 . . . . 102 R HG1 . 15385 1 1084 . 1 1 102 102 ARG HG3 H 1 1.908 0.03 . 2 . . . . 102 R HG2 . 15385 1 1085 . 1 1 102 102 ARG CA C 13 58.730 0.5 . 1 . . . . 102 R CA . 15385 1 1086 . 1 1 102 102 ARG CB C 13 30.280 0.5 . 1 . . . . 102 R CB . 15385 1 1087 . 1 1 102 102 ARG CD C 13 43.290 0.5 . 1 . . . . 102 R CD . 15385 1 1088 . 1 1 102 102 ARG CG C 13 28.210 0.5 . 1 . . . . 102 R CG . 15385 1 1089 . 1 1 102 102 ARG N N 15 114.040 0.4 . 1 . . . . 102 R N . 15385 1 1090 . 1 1 103 103 MET H H 1 7.620 0.03 . 1 . . . . 103 M HN . 15385 1 1091 . 1 1 103 103 MET HA H 1 3.875 0.03 . 1 . . . . 103 M HA . 15385 1 1092 . 1 1 103 103 MET HB2 H 1 1.969 0.03 . 2 . . . . 103 M HB1 . 15385 1 1093 . 1 1 103 103 MET HB3 H 1 1.792 0.03 . 2 . . . . 103 M HB2 . 15385 1 1094 . 1 1 103 103 MET HE1 H 1 1.946 0.03 . 1 . . . . 103 M HE . 15385 1 1095 . 1 1 103 103 MET HE2 H 1 1.946 0.03 . 1 . . . . 103 M HE . 15385 1 1096 . 1 1 103 103 MET HE3 H 1 1.946 0.03 . 1 . . . . 103 M HE . 15385 1 1097 . 1 1 103 103 MET HG2 H 1 1.796 0.03 . 2 . . . . 103 M HG2 . 15385 1 1098 . 1 1 103 103 MET CA C 13 57.980 0.5 . 1 . . . . 103 M CA . 15385 1 1099 . 1 1 103 103 MET CB C 13 32.350 0.5 . 1 . . . . 103 M CB . 15385 1 1100 . 1 1 103 103 MET CE C 13 16.947 0.5 . 1 . . . . 103 M CE . 15385 1 1101 . 1 1 103 103 MET CG C 13 31.120 0.5 . 1 . . . . 103 M CG . 15385 1 1102 . 1 1 103 103 MET N N 15 117.630 0.4 . 1 . . . . 103 M N . 15385 1 1103 . 1 1 104 104 TRP H H 1 7.370 0.03 . 1 . . . . 104 W HN . 15385 1 1104 . 1 1 104 104 TRP HA H 1 4.838 0.03 . 1 . . . . 104 W HA . 15385 1 1105 . 1 1 104 104 TRP HB2 H 1 2.747 0.03 . 2 . . . . 104 W HB1 . 15385 1 1106 . 1 1 104 104 TRP HB3 H 1 3.197 0.03 . 2 . . . . 104 W HB2 . 15385 1 1107 . 1 1 104 104 TRP HD1 H 1 7.226 0.03 . 1 . . . . 104 W HD1 . 15385 1 1108 . 1 1 104 104 TRP HE1 H 1 10.031 0.03 . 1 . . . . 104 W HE1 . 15385 1 1109 . 1 1 104 104 TRP HE3 H 1 7.854 0.03 . 1 . . . . 104 W HE3 . 15385 1 1110 . 1 1 104 104 TRP HH2 H 1 7.167 0.03 . 1 . . . . 104 W HH2 . 15385 1 1111 . 1 1 104 104 TRP HZ2 H 1 7.497 0.03 . 1 . . . . 104 W HZ2 . 15385 1 1112 . 1 1 104 104 TRP HZ3 H 1 7.078 0.03 . 1 . . . . 104 W HZ3 . 15385 1 1113 . 1 1 104 104 TRP CA C 13 56.960 0.5 . 1 . . . . 104 W CA . 15385 1 1114 . 1 1 104 104 TRP CB C 13 30.310 0.5 . 1 . . . . 104 W CB . 15385 1 1115 . 1 1 104 104 TRP CD1 C 13 128.140 0.5 . 1 . . . . 104 W CD1 . 15385 1 1116 . 1 1 104 104 TRP CE3 C 13 120.420 0.5 . 1 . . . . 104 W CE3 . 15385 1 1117 . 1 1 104 104 TRP CH2 C 13 124.640 0.5 . 1 . . . . 104 W CH2 . 15385 1 1118 . 1 1 104 104 TRP CZ2 C 13 114.800 0.5 . 1 . . . . 104 W CZ2 . 15385 1 1119 . 1 1 104 104 TRP CZ3 C 13 121.590 0.5 . 1 . . . . 104 W CZ3 . 15385 1 1120 . 1 1 104 104 TRP N N 15 117.250 0.4 . 1 . . . . 104 W N . 15385 1 1121 . 1 1 104 104 TRP NE1 N 15 127.770 0.4 . 1 . . . . 104 W NE1 . 15385 1 1122 . 1 1 105 105 ASP H H 1 7.700 0.03 . 1 . . . . 105 D HN . 15385 1 1123 . 1 1 105 105 ASP HA H 1 4.519 0.03 . 1 . . . . 105 D HA . 15385 1 1124 . 1 1 105 105 ASP HB2 H 1 2.436 0.03 . 2 . . . . 105 D HB1 . 15385 1 1125 . 1 1 105 105 ASP HB3 H 1 1.542 0.03 . 2 . . . . 105 D HB2 . 15385 1 1126 . 1 1 105 105 ASP CA C 13 52.200 0.5 . 1 . . . . 105 D CA . 15385 1 1127 . 1 1 105 105 ASP CB C 13 37.980 0.5 . 1 . . . . 105 D CB . 15385 1 1128 . 1 1 105 105 ASP N N 15 119.830 0.4 . 1 . . . . 105 D N . 15385 1 1129 . 1 1 106 106 LYS H H 1 7.460 0.03 . 1 . . . . 106 K HN . 15385 1 1130 . 1 1 106 106 LYS HA H 1 3.950 0.03 . 1 . . . . 106 K HA . 15385 1 1131 . 1 1 106 106 LYS HB2 H 1 1.956 0.03 . 2 . . . . 106 K HB1 . 15385 1 1132 . 1 1 106 106 LYS HB3 H 1 1.956 0.03 . 2 . . . . 106 K HB2 . 15385 1 1133 . 1 1 106 106 LYS HD2 H 1 1.760 0.03 . 2 . . . . 106 K HD1 . 15385 1 1134 . 1 1 106 106 LYS HD3 H 1 1.760 0.03 . 2 . . . . 106 K HD2 . 15385 1 1135 . 1 1 106 106 LYS HE2 H 1 3.140 0.03 . 2 . . . . 106 K HE1 . 15385 1 1136 . 1 1 106 106 LYS HE3 H 1 3.140 0.03 . 2 . . . . 106 K HE2 . 15385 1 1137 . 1 1 106 106 LYS HG2 H 1 1.580 0.03 . 2 . . . . 106 K HG1 . 15385 1 1138 . 1 1 106 106 LYS HG3 H 1 1.660 0.03 . 2 . . . . 106 K HG2 . 15385 1 1139 . 1 1 106 106 LYS CA C 13 58.480 0.5 . 1 . . . . 106 K CA . 15385 1 1140 . 1 1 106 106 LYS CB C 13 32.770 0.5 . 1 . . . . 106 K CB . 15385 1 1141 . 1 1 106 106 LYS CD C 13 28.600 0.5 . 1 . . . . 106 K CD . 15385 1 1142 . 1 1 106 106 LYS CE C 13 42.476 0.5 . 1 . . . . 106 K CE . 15385 1 1143 . 1 1 106 106 LYS CG C 13 24.680 0.5 . 1 . . . . 106 K CG . 15385 1 1144 . 1 1 106 106 LYS N N 15 125.030 0.4 . 1 . . . . 106 K N . 15385 1 1145 . 1 1 107 107 ASN H H 1 7.960 0.03 . 1 . . . . 107 N HN . 15385 1 1146 . 1 1 107 107 ASN HA H 1 4.734 0.03 . 1 . . . . 107 N HA . 15385 1 1147 . 1 1 107 107 ASN CA C 13 51.620 0.5 . 1 . . . . 107 N CA . 15385 1 1148 . 1 1 107 107 ASN CB C 13 36.750 0.5 . 1 . . . . 107 N CB . 15385 1 1149 . 1 1 107 107 ASN N N 15 113.410 0.4 . 1 . . . . 107 N N . 15385 1 1150 . 1 1 108 108 ALA H H 1 7.860 0.03 . 1 . . . . 108 A HN . 15385 1 1151 . 1 1 108 108 ALA HA H 1 4.034 0.03 . 1 . . . . 108 A HA . 15385 1 1152 . 1 1 108 108 ALA HB1 H 1 1.353 0.03 . 1 . . . . 108 A HB . 15385 1 1153 . 1 1 108 108 ALA HB2 H 1 1.353 0.03 . 1 . . . . 108 A HB . 15385 1 1154 . 1 1 108 108 ALA HB3 H 1 1.353 0.03 . 1 . . . . 108 A HB . 15385 1 1155 . 1 1 108 108 ALA CA C 13 53.120 0.5 . 1 . . . . 108 A CA . 15385 1 1156 . 1 1 108 108 ALA CB C 13 16.980 0.5 . 1 . . . . 108 A CB . 15385 1 1157 . 1 1 108 108 ALA N N 15 121.620 0.4 . 1 . . . . 108 A N . 15385 1 1158 . 1 1 109 109 ASP H H 1 8.440 0.03 . 1 . . . . 109 D HN . 15385 1 1159 . 1 1 109 109 ASP HA H 1 4.695 0.03 . 1 . . . . 109 D HA . 15385 1 1160 . 1 1 109 109 ASP HB2 H 1 3.198 0.03 . 2 . . . . 109 D HB1 . 15385 1 1161 . 1 1 109 109 ASP HB3 H 1 2.449 0.03 . 2 . . . . 109 D HB2 . 15385 1 1162 . 1 1 109 109 ASP CA C 13 53.170 0.5 . 1 . . . . 109 D CA . 15385 1 1163 . 1 1 109 109 ASP CB C 13 41.000 0.5 . 1 . . . . 109 D CB . 15385 1 1164 . 1 1 109 109 ASP N N 15 117.930 0.4 . 1 . . . . 109 D N . 15385 1 1165 . 1 1 110 110 GLY H H 1 10.360 0.03 . 1 . . . . 110 G HN . 15385 1 1166 . 1 1 110 110 GLY HA2 H 1 4.047 0.03 . 2 . . . . 110 G HA1 . 15385 1 1167 . 1 1 110 110 GLY HA3 H 1 3.445 0.03 . 2 . . . . 110 G HA2 . 15385 1 1168 . 1 1 110 110 GLY CA C 13 45.010 0.5 . 1 . . . . 110 G CA . 15385 1 1169 . 1 1 110 110 GLY N N 15 112.110 0.4 . 1 . . . . 110 G N . 15385 1 1170 . 1 1 111 111 TYR H H 1 7.970 0.03 . 1 . . . . 111 Y HN . 15385 1 1171 . 1 1 111 111 TYR HA H 1 5.285 0.03 . 1 . . . . 111 Y HA . 15385 1 1172 . 1 1 111 111 TYR HB2 H 1 2.693 0.03 . 2 . . . . 111 Y HB1 . 15385 1 1173 . 1 1 111 111 TYR HB3 H 1 2.573 0.03 . 2 . . . . 111 Y HB2 . 15385 1 1174 . 1 1 111 111 TYR HD1 H 1 6.724 0.03 . 3 . . . . 111 Y HD1 . 15385 1 1175 . 1 1 111 111 TYR HE1 H 1 6.839 0.03 . 3 . . . . 111 Y HE1 . 15385 1 1176 . 1 1 111 111 TYR CA C 13 56.020 0.5 . 1 . . . . 111 Y CA . 15385 1 1177 . 1 1 111 111 TYR CB C 13 43.110 0.5 . 1 . . . . 111 Y CB . 15385 1 1178 . 1 1 111 111 TYR CD1 C 13 133.780 0.5 . 3 . . . . 111 Y CD1 . 15385 1 1179 . 1 1 111 111 TYR CE1 C 13 118.080 0.5 . 3 . . . . 111 Y CE1 . 15385 1 1180 . 1 1 111 111 TYR N N 15 115.750 0.4 . 1 . . . . 111 Y N . 15385 1 1181 . 1 1 112 112 ILE H H 1 10.020 0.03 . 1 . . . . 112 I HN . 15385 1 1182 . 1 1 112 112 ILE HA H 1 4.925 0.03 . 1 . . . . 112 I HA . 15385 1 1183 . 1 1 112 112 ILE HB H 1 1.868 0.03 . 1 . . . . 112 I HB . 15385 1 1184 . 1 1 112 112 ILE HD11 H 1 0.398 0.03 . 1 . . . . 112 I HD1 . 15385 1 1185 . 1 1 112 112 ILE HD12 H 1 0.398 0.03 . 1 . . . . 112 I HD1 . 15385 1 1186 . 1 1 112 112 ILE HD13 H 1 0.398 0.03 . 1 . . . . 112 I HD1 . 15385 1 1187 . 1 1 112 112 ILE HG12 H 1 0.621 0.03 . 1 . . . . 112 I HG11 . 15385 1 1188 . 1 1 112 112 ILE HG13 H 1 1.030 0.03 . 1 . . . . 112 I HG12 . 15385 1 1189 . 1 1 112 112 ILE HG21 H 1 0.921 0.03 . 1 . . . . 112 I HG2 . 15385 1 1190 . 1 1 112 112 ILE HG22 H 1 0.921 0.03 . 1 . . . . 112 I HG2 . 15385 1 1191 . 1 1 112 112 ILE HG23 H 1 0.921 0.03 . 1 . . . . 112 I HG2 . 15385 1 1192 . 1 1 112 112 ILE CA C 13 60.010 0.5 . 1 . . . . 112 I CA . 15385 1 1193 . 1 1 112 112 ILE CB C 13 38.470 0.5 . 1 . . . . 112 I CB . 15385 1 1194 . 1 1 112 112 ILE CD1 C 13 13.440 0.5 . 1 . . . . 112 I CD1 . 15385 1 1195 . 1 1 112 112 ILE CG1 C 13 27.200 0.5 . 1 . . . . 112 I CG1 . 15385 1 1196 . 1 1 112 112 ILE CG2 C 13 17.440 0.5 . 1 . . . . 112 I CG2 . 15385 1 1197 . 1 1 112 112 ILE N N 15 126.240 0.4 . 1 . . . . 112 I N . 15385 1 1198 . 1 1 113 113 ASP H H 1 8.900 0.03 . 1 . . . . 113 D HN . 15385 1 1199 . 1 1 113 113 ASP HA H 1 4.848 0.03 . 1 . . . . 113 D HA . 15385 1 1200 . 1 1 113 113 ASP HB2 H 1 2.509 0.03 . 2 . . . . 113 D HB1 . 15385 1 1201 . 1 1 113 113 ASP HB3 H 1 3.357 0.03 . 2 . . . . 113 D HB2 . 15385 1 1202 . 1 1 113 113 ASP CA C 13 51.980 0.5 . 1 . . . . 113 D CA . 15385 1 1203 . 1 1 113 113 ASP CB C 13 41.790 0.5 . 1 . . . . 113 D CB . 15385 1 1204 . 1 1 113 113 ASP N N 15 128.530 0.4 . 1 . . . . 113 D N . 15385 1 1205 . 1 1 114 114 LEU H H 1 8.470 0.03 . 1 . . . . 114 L HN . 15385 1 1206 . 1 1 114 114 LEU HA H 1 3.948 0.03 . 1 . . . . 114 L HA . 15385 1 1207 . 1 1 114 114 LEU HB2 H 1 1.702 0.03 . 2 . . . . 114 L HB1 . 15385 1 1208 . 1 1 114 114 LEU HB3 H 1 1.702 0.03 . 2 . . . . 114 L HB2 . 15385 1 1209 . 1 1 114 114 LEU HD11 H 1 0.941 0.03 . 2 . . . . 114 L HD1 . 15385 1 1210 . 1 1 114 114 LEU HD12 H 1 0.941 0.03 . 2 . . . . 114 L HD1 . 15385 1 1211 . 1 1 114 114 LEU HD13 H 1 0.941 0.03 . 2 . . . . 114 L HD1 . 15385 1 1212 . 1 1 114 114 LEU HD21 H 1 0.954 0.03 . 2 . . . . 114 L HD2 . 15385 1 1213 . 1 1 114 114 LEU HD22 H 1 0.954 0.03 . 2 . . . . 114 L HD2 . 15385 1 1214 . 1 1 114 114 LEU HD23 H 1 0.954 0.03 . 2 . . . . 114 L HD2 . 15385 1 1215 . 1 1 114 114 LEU HG H 1 1.694 0.03 . 1 . . . . 114 L HG . 15385 1 1216 . 1 1 114 114 LEU CA C 13 58.990 0.5 . 1 . . . . 114 L CA . 15385 1 1217 . 1 1 114 114 LEU CB C 13 42.130 0.5 . 1 . . . . 114 L CB . 15385 1 1218 . 1 1 114 114 LEU CD1 C 13 25.250 0.5 . 2 . . . . 114 L CD1 . 15385 1 1219 . 1 1 114 114 LEU CD2 C 13 24.390 0.5 . 2 . . . . 114 L CD2 . 15385 1 1220 . 1 1 114 114 LEU CG C 13 27.230 0.5 . 1 . . . . 114 L CG . 15385 1 1221 . 1 1 114 114 LEU N N 15 118.050 0.4 . 1 . . . . 114 L N . 15385 1 1222 . 1 1 115 115 ASP H H 1 7.840 0.03 . 1 . . . . 115 D HN . 15385 1 1223 . 1 1 115 115 ASP HA H 1 4.372 0.03 . 1 . . . . 115 D HA . 15385 1 1224 . 1 1 115 115 ASP HB2 H 1 2.667 0.03 . 2 . . . . 115 D HB1 . 15385 1 1225 . 1 1 115 115 ASP HB3 H 1 2.811 0.03 . 2 . . . . 115 D HB2 . 15385 1 1226 . 1 1 115 115 ASP CA C 13 57.680 0.5 . 1 . . . . 115 D CA . 15385 1 1227 . 1 1 115 115 ASP CB C 13 40.670 0.5 . 1 . . . . 115 D CB . 15385 1 1228 . 1 1 115 115 ASP N N 15 118.130 0.4 . 1 . . . . 115 D N . 15385 1 1229 . 1 1 116 116 GLU H H 1 8.560 0.03 . 1 . . . . 116 E HN . 15385 1 1230 . 1 1 116 116 GLU HA H 1 4.106 0.03 . 1 . . . . 116 E HA . 15385 1 1231 . 1 1 116 116 GLU HB2 H 1 2.309 0.03 . 2 . . . . 116 E HB1 . 15385 1 1232 . 1 1 116 116 GLU HB3 H 1 2.309 0.03 . 2 . . . . 116 E HB2 . 15385 1 1233 . 1 1 116 116 GLU HG2 H 1 2.400 0.03 . 2 . . . . 116 E HG1 . 15385 1 1234 . 1 1 116 116 GLU HG3 H 1 2.300 0.03 . 2 . . . . 116 E HG2 . 15385 1 1235 . 1 1 116 116 GLU CA C 13 58.550 0.5 . 1 . . . . 116 E CA . 15385 1 1236 . 1 1 116 116 GLU CB C 13 30.090 0.5 . 1 . . . . 116 E CB . 15385 1 1237 . 1 1 116 116 GLU CG C 13 37.170 0.5 . 1 . . . . 116 E CG . 15385 1 1238 . 1 1 116 116 GLU N N 15 121.120 0.4 . 1 . . . . 116 E N . 15385 1 1239 . 1 1 117 117 LEU H H 1 8.990 0.03 . 1 . . . . 117 L HN . 15385 1 1240 . 1 1 117 117 LEU HA H 1 3.892 0.03 . 1 . . . . 117 L HA . 15385 1 1241 . 1 1 117 117 LEU HB2 H 1 1.913 0.03 . 2 . . . . 117 L HB1 . 15385 1 1242 . 1 1 117 117 LEU HB3 H 1 1.818 0.03 . 2 . . . . 117 L HB2 . 15385 1 1243 . 1 1 117 117 LEU HD11 H 1 0.832 0.03 . 2 . . . . 117 L HD1 . 15385 1 1244 . 1 1 117 117 LEU HD12 H 1 0.832 0.03 . 2 . . . . 117 L HD1 . 15385 1 1245 . 1 1 117 117 LEU HD13 H 1 0.832 0.03 . 2 . . . . 117 L HD1 . 15385 1 1246 . 1 1 117 117 LEU HD21 H 1 0.838 0.03 . 2 . . . . 117 L HD2 . 15385 1 1247 . 1 1 117 117 LEU HD22 H 1 0.838 0.03 . 2 . . . . 117 L HD2 . 15385 1 1248 . 1 1 117 117 LEU HD23 H 1 0.838 0.03 . 2 . . . . 117 L HD2 . 15385 1 1249 . 1 1 117 117 LEU HG H 1 1.582 0.03 . 1 . . . . 117 L HG . 15385 1 1250 . 1 1 117 117 LEU CA C 13 57.680 0.5 . 1 . . . . 117 L CA . 15385 1 1251 . 1 1 117 117 LEU CB C 13 42.190 0.5 . 1 . . . . 117 L CB . 15385 1 1252 . 1 1 117 117 LEU CD1 C 13 26.420 0.5 . 2 . . . . 117 L CD1 . 15385 1 1253 . 1 1 117 117 LEU CD2 C 13 23.850 0.5 . 2 . . . . 117 L CD2 . 15385 1 1254 . 1 1 117 117 LEU CG C 13 31.350 0.5 . 1 . . . . 117 L CG . 15385 1 1255 . 1 1 117 117 LEU N N 15 122.790 0.4 . 1 . . . . 117 L N . 15385 1 1256 . 1 1 118 118 LYS H H 1 8.060 0.03 . 1 . . . . 118 K HN . 15385 1 1257 . 1 1 118 118 LYS HA H 1 3.757 0.03 . 1 . . . . 118 K HA . 15385 1 1258 . 1 1 118 118 LYS HB2 H 1 1.996 0.03 . 2 . . . . 118 K HB1 . 15385 1 1259 . 1 1 118 118 LYS HB3 H 1 1.996 0.03 . 2 . . . . 118 K HB2 . 15385 1 1260 . 1 1 118 118 LYS HD2 H 1 1.734 0.03 . 2 . . . . 118 K HD1 . 15385 1 1261 . 1 1 118 118 LYS HD3 H 1 1.734 0.03 . 2 . . . . 118 K HD2 . 15385 1 1262 . 1 1 118 118 LYS HE2 H 1 2.865 0.03 . 2 . . . . 118 K HE1 . 15385 1 1263 . 1 1 118 118 LYS HE3 H 1 2.931 0.03 . 2 . . . . 118 K HE2 . 15385 1 1264 . 1 1 118 118 LYS HG2 H 1 1.559 0.03 . 2 . . . . 118 K HG1 . 15385 1 1265 . 1 1 118 118 LYS HG3 H 1 1.299 0.03 . 2 . . . . 118 K HG2 . 15385 1 1266 . 1 1 118 118 LYS CA C 13 60.620 0.5 . 1 . . . . 118 K CA . 15385 1 1267 . 1 1 118 118 LYS CB C 13 32.420 0.5 . 1 . . . . 118 K CB . 15385 1 1268 . 1 1 118 118 LYS CD C 13 29.770 0.5 . 1 . . . . 118 K CD . 15385 1 1269 . 1 1 118 118 LYS CE C 13 41.970 0.5 . 1 . . . . 118 K CE . 15385 1 1270 . 1 1 118 118 LYS CG C 13 25.790 0.5 . 1 . . . . 118 K CG . 15385 1 1271 . 1 1 118 118 LYS N N 15 117.850 0.4 . 1 . . . . 118 K N . 15385 1 1272 . 1 1 119 119 ILE H H 1 7.420 0.03 . 1 . . . . 119 I HN . 15385 1 1273 . 1 1 119 119 ILE HA H 1 3.749 0.03 . 1 . . . . 119 I HA . 15385 1 1274 . 1 1 119 119 ILE HB H 1 1.996 0.03 . 1 . . . . 119 I HB . 15385 1 1275 . 1 1 119 119 ILE HD11 H 1 0.938 0.03 . 1 . . . . 119 I HD1 . 15385 1 1276 . 1 1 119 119 ILE HD12 H 1 0.938 0.03 . 1 . . . . 119 I HD1 . 15385 1 1277 . 1 1 119 119 ILE HD13 H 1 0.938 0.03 . 1 . . . . 119 I HD1 . 15385 1 1278 . 1 1 119 119 ILE HG12 H 1 1.794 0.03 . 1 . . . . 119 I HG11 . 15385 1 1279 . 1 1 119 119 ILE HG13 H 1 1.316 0.03 . 1 . . . . 119 I HG12 . 15385 1 1280 . 1 1 119 119 ILE HG21 H 1 1.100 0.03 . 1 . . . . 119 I HG2 . 15385 1 1281 . 1 1 119 119 ILE HG22 H 1 1.100 0.03 . 1 . . . . 119 I HG2 . 15385 1 1282 . 1 1 119 119 ILE HG23 H 1 1.100 0.03 . 1 . . . . 119 I HG2 . 15385 1 1283 . 1 1 119 119 ILE CA C 13 64.520 0.5 . 1 . . . . 119 I CA . 15385 1 1284 . 1 1 119 119 ILE CB C 13 37.940 0.5 . 1 . . . . 119 I CB . 15385 1 1285 . 1 1 119 119 ILE CD1 C 13 12.900 0.5 . 1 . . . . 119 I CD1 . 15385 1 1286 . 1 1 119 119 ILE CG1 C 13 28.950 0.5 . 1 . . . . 119 I CG1 . 15385 1 1287 . 1 1 119 119 ILE CG2 C 13 17.750 0.5 . 1 . . . . 119 I CG2 . 15385 1 1288 . 1 1 119 119 ILE N N 15 117.730 0.4 . 1 . . . . 119 I N . 15385 1 1289 . 1 1 120 120 MET H H 1 7.650 0.03 . 1 . . . . 120 M HN . 15385 1 1290 . 1 1 120 120 MET HA H 1 4.484 0.03 . 1 . . . . 120 M HA . 15385 1 1291 . 1 1 120 120 MET HE1 H 1 2.133 0.03 . 1 . . . . 120 M HE . 15385 1 1292 . 1 1 120 120 MET HE2 H 1 2.133 0.03 . 1 . . . . 120 M HE . 15385 1 1293 . 1 1 120 120 MET HE3 H 1 2.133 0.03 . 1 . . . . 120 M HE . 15385 1 1294 . 1 1 120 120 MET HG2 H 1 1.859 0.03 . 2 . . . . 120 M HG1 . 15385 1 1295 . 1 1 120 120 MET HG3 H 1 1.604 0.03 . 2 . . . . 120 M HG2 . 15385 1 1296 . 1 1 120 120 MET CA C 13 58.230 0.5 . 1 . . . . 120 M CA . 15385 1 1297 . 1 1 120 120 MET CB C 13 32.550 0.5 . 1 . . . . 120 M CB . 15385 1 1298 . 1 1 120 120 MET CG C 13 30.950 0.5 . 1 . . . . 120 M CG . 15385 1 1299 . 1 1 120 120 MET N N 15 120.680 0.4 . 1 . . . . 120 M N . 15385 1 1300 . 1 1 121 121 LEU H H 1 8.240 0.03 . 1 . . . . 121 L HN . 15385 1 1301 . 1 1 121 121 LEU HA H 1 4.031 0.03 . 1 . . . . 121 L HA . 15385 1 1302 . 1 1 121 121 LEU HB2 H 1 1.604 0.03 . 2 . . . . 121 L HB1 . 15385 1 1303 . 1 1 121 121 LEU HB3 H 1 1.765 0.03 . 2 . . . . 121 L HB2 . 15385 1 1304 . 1 1 121 121 LEU HD11 H 1 0.815 0.03 . 2 . . . . 121 L HD1 . 15385 1 1305 . 1 1 121 121 LEU HD12 H 1 0.815 0.03 . 2 . . . . 121 L HD1 . 15385 1 1306 . 1 1 121 121 LEU HD13 H 1 0.815 0.03 . 2 . . . . 121 L HD1 . 15385 1 1307 . 1 1 121 121 LEU HD21 H 1 0.902 0.03 . 2 . . . . 121 L HD2 . 15385 1 1308 . 1 1 121 121 LEU HD22 H 1 0.902 0.03 . 2 . . . . 121 L HD2 . 15385 1 1309 . 1 1 121 121 LEU HD23 H 1 0.902 0.03 . 2 . . . . 121 L HD2 . 15385 1 1310 . 1 1 121 121 LEU HG H 1 1.401 0.03 . 1 . . . . 121 L HG . 15385 1 1311 . 1 1 121 121 LEU CA C 13 56.810 0.5 . 1 . . . . 121 L CA . 15385 1 1312 . 1 1 121 121 LEU CB C 13 41.320 0.5 . 1 . . . . 121 L CB . 15385 1 1313 . 1 1 121 121 LEU CD1 C 13 26.740 0.5 . 2 . . . . 121 L CD1 . 15385 1 1314 . 1 1 121 121 LEU CD2 C 13 26.740 0.5 . 2 . . . . 121 L CD2 . 15385 1 1315 . 1 1 121 121 LEU CG C 13 22.300 0.5 . 1 . . . . 121 L CG . 15385 1 1316 . 1 1 121 121 LEU N N 15 118.200 0.4 . 1 . . . . 121 L N . 15385 1 1317 . 1 1 122 122 GLN H H 1 8.120 0.03 . 1 . . . . 122 Q HN . 15385 1 1318 . 1 1 122 122 GLN HA H 1 4.228 0.03 . 1 . . . . 122 Q HA . 15385 1 1319 . 1 1 122 122 GLN HB2 H 1 2.170 0.03 . 2 . . . . 122 Q HB1 . 15385 1 1320 . 1 1 122 122 GLN HB3 H 1 2.170 0.03 . 2 . . . . 122 Q HB2 . 15385 1 1321 . 1 1 122 122 GLN HG2 H 1 2.605 0.03 . 2 . . . . 122 Q HG1 . 15385 1 1322 . 1 1 122 122 GLN HG3 H 1 2.404 0.03 . 2 . . . . 122 Q HG2 . 15385 1 1323 . 1 1 122 122 GLN CA C 13 57.980 0.5 . 1 . . . . 122 Q CA . 15385 1 1324 . 1 1 122 122 GLN CB C 13 28.500 0.5 . 1 . . . . 122 Q CB . 15385 1 1325 . 1 1 122 122 GLN CG C 13 34.790 0.5 . 1 . . . . 122 Q CG . 15385 1 1326 . 1 1 122 122 GLN N N 15 118.410 0.4 . 1 . . . . 122 Q N . 15385 1 1327 . 1 1 123 123 ALA H H 1 7.670 0.03 . 1 . . . . 123 A HN . 15385 1 1328 . 1 1 123 123 ALA HA H 1 4.323 0.03 . 1 . . . . 123 A HA . 15385 1 1329 . 1 1 123 123 ALA HB1 H 1 1.628 0.03 . 1 . . . . 123 A HB . 15385 1 1330 . 1 1 123 123 ALA HB2 H 1 1.628 0.03 . 1 . . . . 123 A HB . 15385 1 1331 . 1 1 123 123 ALA HB3 H 1 1.628 0.03 . 1 . . . . 123 A HB . 15385 1 1332 . 1 1 123 123 ALA CA C 13 54.260 0.5 . 1 . . . . 123 A CA . 15385 1 1333 . 1 1 123 123 ALA CB C 13 19.280 0.5 . 1 . . . . 123 A CB . 15385 1 1334 . 1 1 123 123 ALA N N 15 121.900 0.4 . 1 . . . . 123 A N . 15385 1 1335 . 1 1 124 124 THR H H 1 7.600 0.03 . 1 . . . . 124 T HN . 15385 1 1336 . 1 1 124 124 THR HA H 1 4.398 0.03 . 1 . . . . 124 T HA . 15385 1 1337 . 1 1 124 124 THR HB H 1 4.452 0.03 . 1 . . . . 124 T HB . 15385 1 1338 . 1 1 124 124 THR HG21 H 1 1.336 0.03 . 1 . . . . 124 T HG2 . 15385 1 1339 . 1 1 124 124 THR HG22 H 1 1.336 0.03 . 1 . . . . 124 T HG2 . 15385 1 1340 . 1 1 124 124 THR HG23 H 1 1.336 0.03 . 1 . . . . 124 T HG2 . 15385 1 1341 . 1 1 124 124 THR CA C 13 62.360 0.5 . 1 . . . . 124 T CA . 15385 1 1342 . 1 1 124 124 THR CB C 13 70.110 0.5 . 1 . . . . 124 T CB . 15385 1 1343 . 1 1 124 124 THR CG2 C 13 21.610 0.5 . 1 . . . . 124 T CG2 . 15385 1 1344 . 1 1 124 124 THR N N 15 107.350 0.4 . 1 . . . . 124 T N . 15385 1 1345 . 1 1 125 125 GLY H H 1 7.850 0.03 . 1 . . . . 125 G HN . 15385 1 1346 . 1 1 125 125 GLY HA2 H 1 4.192 0.03 . 2 . . . . 125 G HA1 . 15385 1 1347 . 1 1 125 125 GLY HA3 H 1 3.891 0.03 . 2 . . . . 125 G HA2 . 15385 1 1348 . 1 1 125 125 GLY CA C 13 45.610 0.5 . 1 . . . . 125 G CA . 15385 1 1349 . 1 1 125 125 GLY N N 15 109.310 0.4 . 1 . . . . 125 G N . 15385 1 1350 . 1 1 126 126 GLU H H 1 7.930 0.03 . 1 . . . . 126 E HN . 15385 1 1351 . 1 1 126 126 GLU HA H 1 4.388 0.03 . 1 . . . . 126 E HA . 15385 1 1352 . 1 1 126 126 GLU HB2 H 1 1.826 0.03 . 2 . . . . 126 E HB1 . 15385 1 1353 . 1 1 126 126 GLU HB3 H 1 2.032 0.03 . 2 . . . . 126 E HB2 . 15385 1 1354 . 1 1 126 126 GLU HG2 H 1 2.221 0.03 . 2 . . . . 126 E HG1 . 15385 1 1355 . 1 1 126 126 GLU HG3 H 1 2.259 0.03 . 2 . . . . 126 E HG2 . 15385 1 1356 . 1 1 126 126 GLU CA C 13 56.060 0.5 . 1 . . . . 126 E CA . 15385 1 1357 . 1 1 126 126 GLU CB C 13 30.520 0.5 . 1 . . . . 126 E CB . 15385 1 1358 . 1 1 126 126 GLU CG C 13 35.920 0.5 . 1 . . . . 126 E CG . 15385 1 1359 . 1 1 126 126 GLU N N 15 120.170 0.4 . 1 . . . . 126 E N . 15385 1 1360 . 1 1 127 127 THR H H 1 8.540 0.03 . 1 . . . . 127 T HN . 15385 1 1361 . 1 1 127 127 THR HA H 1 4.294 0.03 . 1 . . . . 127 T HA . 15385 1 1362 . 1 1 127 127 THR HB H 1 4.158 0.03 . 1 . . . . 127 T HB . 15385 1 1363 . 1 1 127 127 THR HG21 H 1 1.179 0.03 . 1 . . . . 127 T HG2 . 15385 1 1364 . 1 1 127 127 THR HG22 H 1 1.179 0.03 . 1 . . . . 127 T HG2 . 15385 1 1365 . 1 1 127 127 THR HG23 H 1 1.179 0.03 . 1 . . . . 127 T HG2 . 15385 1 1366 . 1 1 127 127 THR CA C 13 62.490 0.5 . 1 . . . . 127 T CA . 15385 1 1367 . 1 1 127 127 THR CB C 13 68.980 0.5 . 1 . . . . 127 T CB . 15385 1 1368 . 1 1 127 127 THR CG2 C 13 21.650 0.5 . 1 . . . . 127 T CG2 . 15385 1 1369 . 1 1 127 127 THR N N 15 117.220 0.4 . 1 . . . . 127 T N . 15385 1 1370 . 1 1 128 128 ILE H H 1 8.110 0.03 . 1 . . . . 128 I HN . 15385 1 1371 . 1 1 128 128 ILE HA H 1 4.601 0.03 . 1 . . . . 128 I HA . 15385 1 1372 . 1 1 128 128 ILE HB H 1 1.905 0.03 . 1 . . . . 128 I HB . 15385 1 1373 . 1 1 128 128 ILE HD11 H 1 0.755 0.03 . 1 . . . . 128 I HD1 . 15385 1 1374 . 1 1 128 128 ILE HD12 H 1 0.755 0.03 . 1 . . . . 128 I HD1 . 15385 1 1375 . 1 1 128 128 ILE HD13 H 1 0.755 0.03 . 1 . . . . 128 I HD1 . 15385 1 1376 . 1 1 128 128 ILE HG12 H 1 1.253 0.03 . 1 . . . . 128 I HG11 . 15385 1 1377 . 1 1 128 128 ILE HG13 H 1 1.410 0.03 . 1 . . . . 128 I HG12 . 15385 1 1378 . 1 1 128 128 ILE HG21 H 1 0.892 0.03 . 1 . . . . 128 I HG2 . 15385 1 1379 . 1 1 128 128 ILE HG22 H 1 0.892 0.03 . 1 . . . . 128 I HG2 . 15385 1 1380 . 1 1 128 128 ILE HG23 H 1 0.892 0.03 . 1 . . . . 128 I HG2 . 15385 1 1381 . 1 1 128 128 ILE CA C 13 59.500 0.5 . 1 . . . . 128 I CA . 15385 1 1382 . 1 1 128 128 ILE CB C 13 39.740 0.5 . 1 . . . . 128 I CB . 15385 1 1383 . 1 1 128 128 ILE CD1 C 13 13.160 0.5 . 1 . . . . 128 I CD1 . 15385 1 1384 . 1 1 128 128 ILE CG1 C 13 26.930 0.5 . 1 . . . . 128 I CG1 . 15385 1 1385 . 1 1 128 128 ILE CG2 C 13 17.770 0.5 . 1 . . . . 128 I CG2 . 15385 1 1386 . 1 1 128 128 ILE N N 15 125.250 0.4 . 1 . . . . 128 I N . 15385 1 1387 . 1 1 129 129 THR H H 1 8.860 0.03 . 1 . . . . 129 T HN . 15385 1 1388 . 1 1 129 129 THR HA H 1 4.595 0.03 . 1 . . . . 129 T HA . 15385 1 1389 . 1 1 129 129 THR HB H 1 3.591 0.03 . 1 . . . . 129 T HB . 15385 1 1390 . 1 1 129 129 THR HG21 H 1 1.295 0.03 . 1 . . . . 129 T HG2 . 15385 1 1391 . 1 1 129 129 THR HG22 H 1 1.295 0.03 . 1 . . . . 129 T HG2 . 15385 1 1392 . 1 1 129 129 THR HG23 H 1 1.295 0.03 . 1 . . . . 129 T HG2 . 15385 1 1393 . 1 1 129 129 THR CA C 13 60.610 0.5 . 1 . . . . 129 T CA . 15385 1 1394 . 1 1 129 129 THR CB C 13 71.560 0.5 . 1 . . . . 129 T CB . 15385 1 1395 . 1 1 129 129 THR CG2 C 13 21.650 0.5 . 1 . . . . 129 T CG2 . 15385 1 1396 . 1 1 129 129 THR N N 15 117.270 0.4 . 1 . . . . 129 T N . 15385 1 1397 . 1 1 130 130 GLU H H 1 8.900 0.03 . 1 . . . . 130 E HN . 15385 1 1398 . 1 1 130 130 GLU HA H 1 3.976 0.03 . 1 . . . . 130 E HA . 15385 1 1399 . 1 1 130 130 GLU HB2 H 1 2.078 0.03 . 2 . . . . 130 E HB1 . 15385 1 1400 . 1 1 130 130 GLU HB3 H 1 2.078 0.03 . 2 . . . . 130 E HB2 . 15385 1 1401 . 1 1 130 130 GLU HG2 H 1 2.359 0.03 . 2 . . . . 130 E HG1 . 15385 1 1402 . 1 1 130 130 GLU HG3 H 1 2.359 0.03 . 2 . . . . 130 E HG2 . 15385 1 1403 . 1 1 130 130 GLU CA C 13 60.050 0.5 . 1 . . . . 130 E CA . 15385 1 1404 . 1 1 130 130 GLU CB C 13 29.160 0.5 . 1 . . . . 130 E CB . 15385 1 1405 . 1 1 130 130 GLU CG C 13 36.510 0.5 . 1 . . . . 130 E CG . 15385 1 1406 . 1 1 130 130 GLU N N 15 120.610 0.4 . 1 . . . . 130 E N . 15385 1 1407 . 1 1 131 131 ASP H H 1 8.170 0.03 . 1 . . . . 131 D HN . 15385 1 1408 . 1 1 131 131 ASP HA H 1 4.402 0.03 . 1 . . . . 131 D HA . 15385 1 1409 . 1 1 131 131 ASP HB2 H 1 2.509 0.03 . 2 . . . . 131 D HB1 . 15385 1 1410 . 1 1 131 131 ASP HB3 H 1 2.671 0.03 . 2 . . . . 131 D HB2 . 15385 1 1411 . 1 1 131 131 ASP CA C 13 57.060 0.5 . 1 . . . . 131 D CA . 15385 1 1412 . 1 1 131 131 ASP CB C 13 40.520 0.5 . 1 . . . . 131 D CB . 15385 1 1413 . 1 1 131 131 ASP N N 15 117.800 0.4 . 1 . . . . 131 D N . 15385 1 1414 . 1 1 132 132 ASP H H 1 7.660 0.03 . 1 . . . . 132 D HN . 15385 1 1415 . 1 1 132 132 ASP HA H 1 4.350 0.03 . 1 . . . . 132 D HA . 15385 1 1416 . 1 1 132 132 ASP HB2 H 1 3.080 0.03 . 2 . . . . 132 D HB1 . 15385 1 1417 . 1 1 132 132 ASP HB3 H 1 2.625 0.03 . 2 . . . . 132 D HB2 . 15385 1 1418 . 1 1 132 132 ASP CA C 13 60.200 0.5 . 1 . . . . 132 D CA . 15385 1 1419 . 1 1 132 132 ASP CB C 13 40.640 0.5 . 1 . . . . 132 D CB . 15385 1 1420 . 1 1 132 132 ASP N N 15 120.020 0.4 . 1 . . . . 132 D N . 15385 1 1421 . 1 1 133 133 ILE H H 1 7.860 0.03 . 1 . . . . 133 I HN . 15385 1 1422 . 1 1 133 133 ILE HA H 1 3.604 0.03 . 1 . . . . 133 I HA . 15385 1 1423 . 1 1 133 133 ILE HB H 1 1.975 0.03 . 1 . . . . 133 I HB . 15385 1 1424 . 1 1 133 133 ILE HD11 H 1 0.812 0.03 . 1 . . . . 133 I HD1 . 15385 1 1425 . 1 1 133 133 ILE HD12 H 1 0.812 0.03 . 1 . . . . 133 I HD1 . 15385 1 1426 . 1 1 133 133 ILE HD13 H 1 0.812 0.03 . 1 . . . . 133 I HD1 . 15385 1 1427 . 1 1 133 133 ILE HG12 H 1 1.036 0.03 . 1 . . . . 133 I HG11 . 15385 1 1428 . 1 1 133 133 ILE HG13 H 1 1.715 0.03 . 1 . . . . 133 I HG12 . 15385 1 1429 . 1 1 133 133 ILE HG21 H 1 0.896 0.03 . 1 . . . . 133 I HG2 . 15385 1 1430 . 1 1 133 133 ILE HG22 H 1 0.896 0.03 . 1 . . . . 133 I HG2 . 15385 1 1431 . 1 1 133 133 ILE HG23 H 1 0.896 0.03 . 1 . . . . 133 I HG2 . 15385 1 1432 . 1 1 133 133 ILE CA C 13 64.760 0.5 . 1 . . . . 133 I CA . 15385 1 1433 . 1 1 133 133 ILE CB C 13 37.580 0.5 . 1 . . . . 133 I CB . 15385 1 1434 . 1 1 133 133 ILE CD1 C 13 13.620 0.5 . 1 . . . . 133 I CD1 . 15385 1 1435 . 1 1 133 133 ILE CG1 C 13 28.940 0.5 . 1 . . . . 133 I CG1 . 15385 1 1436 . 1 1 133 133 ILE CG2 C 13 18.100 0.5 . 1 . . . . 133 I CG2 . 15385 1 1437 . 1 1 133 133 ILE N N 15 120.690 0.4 . 1 . . . . 133 I N . 15385 1 1438 . 1 1 134 134 GLU H H 1 7.990 0.03 . 1 . . . . 134 E HN . 15385 1 1439 . 1 1 134 134 GLU HA H 1 3.881 0.03 . 1 . . . . 134 E HA . 15385 1 1440 . 1 1 134 134 GLU HB2 H 1 2.102 0.03 . 2 . . . . 134 E HB1 . 15385 1 1441 . 1 1 134 134 GLU HB3 H 1 2.168 0.03 . 2 . . . . 134 E HB2 . 15385 1 1442 . 1 1 134 134 GLU HG2 H 1 2.477 0.03 . 2 . . . . 134 E HG1 . 15385 1 1443 . 1 1 134 134 GLU HG3 H 1 2.249 0.03 . 2 . . . . 134 E HG2 . 15385 1 1444 . 1 1 134 134 GLU CA C 13 59.900 0.5 . 1 . . . . 134 E CA . 15385 1 1445 . 1 1 134 134 GLU CB C 13 29.240 0.5 . 1 . . . . 134 E CB . 15385 1 1446 . 1 1 134 134 GLU CG C 13 36.610 0.5 . 1 . . . . 134 E CG . 15385 1 1447 . 1 1 134 134 GLU N N 15 119.320 0.4 . 1 . . . . 134 E N . 15385 1 1448 . 1 1 135 135 GLU H H 1 7.800 0.03 . 1 . . . . 135 E HN . 15385 1 1449 . 1 1 135 135 GLU HA H 1 4.073 0.03 . 1 . . . . 135 E HA . 15385 1 1450 . 1 1 135 135 GLU HB2 H 1 2.145 0.03 . 2 . . . . 135 E HB1 . 15385 1 1451 . 1 1 135 135 GLU HB3 H 1 2.145 0.03 . 2 . . . . 135 E HB2 . 15385 1 1452 . 1 1 135 135 GLU HG2 H 1 2.401 0.03 . 2 . . . . 135 E HG1 . 15385 1 1453 . 1 1 135 135 GLU HG3 H 1 2.401 0.03 . 2 . . . . 135 E HG2 . 15385 1 1454 . 1 1 135 135 GLU CA C 13 59.230 0.5 . 1 . . . . 135 E CA . 15385 1 1455 . 1 1 135 135 GLU CB C 13 29.350 0.5 . 1 . . . . 135 E CB . 15385 1 1456 . 1 1 135 135 GLU CG C 13 36.650 0.5 . 1 . . . . 135 E CG . 15385 1 1457 . 1 1 135 135 GLU N N 15 118.910 0.4 . 1 . . . . 135 E N . 15385 1 1458 . 1 1 136 136 LEU H H 1 7.830 0.03 . 1 . . . . 136 L HN . 15385 1 1459 . 1 1 136 136 LEU HA H 1 4.166 0.03 . 1 . . . . 136 L HA . 15385 1 1460 . 1 1 136 136 LEU HB2 H 1 1.899 0.03 . 2 . . . . 136 L HB1 . 15385 1 1461 . 1 1 136 136 LEU HB3 H 1 1.760 0.03 . 2 . . . . 136 L HB2 . 15385 1 1462 . 1 1 136 136 LEU HD11 H 1 0.866 0.03 . 2 . . . . 136 L HD1 . 15385 1 1463 . 1 1 136 136 LEU HD12 H 1 0.866 0.03 . 2 . . . . 136 L HD1 . 15385 1 1464 . 1 1 136 136 LEU HD13 H 1 0.866 0.03 . 2 . . . . 136 L HD1 . 15385 1 1465 . 1 1 136 136 LEU HD21 H 1 0.866 0.03 . 2 . . . . 136 L HD2 . 15385 1 1466 . 1 1 136 136 LEU HD22 H 1 0.866 0.03 . 2 . . . . 136 L HD2 . 15385 1 1467 . 1 1 136 136 LEU HD23 H 1 0.866 0.03 . 2 . . . . 136 L HD2 . 15385 1 1468 . 1 1 136 136 LEU HG H 1 1.566 0.03 . 1 . . . . 136 L HG . 15385 1 1469 . 1 1 136 136 LEU CA C 13 58.150 0.5 . 1 . . . . 136 L CA . 15385 1 1470 . 1 1 136 136 LEU CB C 13 42.020 0.5 . 1 . . . . 136 L CB . 15385 1 1471 . 1 1 136 136 LEU CD1 C 13 25.660 0.5 . 2 . . . . 136 L CD1 . 15385 1 1472 . 1 1 136 136 LEU CD2 C 13 24.100 0.5 . 2 . . . . 136 L CD2 . 15385 1 1473 . 1 1 136 136 LEU CG C 13 29.400 0.5 . 1 . . . . 136 L CG . 15385 1 1474 . 1 1 136 136 LEU N N 15 121.180 0.4 . 1 . . . . 136 L N . 15385 1 1475 . 1 1 137 137 MET H H 1 8.170 0.03 . 1 . . . . 137 M HN . 15385 1 1476 . 1 1 137 137 MET HA H 1 4.156 0.03 . 1 . . . . 137 M HA . 15385 1 1477 . 1 1 137 137 MET HB2 H 1 2.176 0.03 . 2 . . . . 137 M HB1 . 15385 1 1478 . 1 1 137 137 MET HB3 H 1 2.176 0.03 . 2 . . . . 137 M HB2 . 15385 1 1479 . 1 1 137 137 MET HE1 H 1 1.968 0.03 . 1 . . . . 137 M HE . 15385 1 1480 . 1 1 137 137 MET HE2 H 1 1.968 0.03 . 1 . . . . 137 M HE . 15385 1 1481 . 1 1 137 137 MET HE3 H 1 1.968 0.03 . 1 . . . . 137 M HE . 15385 1 1482 . 1 1 137 137 MET HG2 H 1 2.429 0.03 . 2 . . . . 137 M HG1 . 15385 1 1483 . 1 1 137 137 MET HG3 H 1 2.556 0.03 . 2 . . . . 137 M HG2 . 15385 1 1484 . 1 1 137 137 MET CA C 13 57.440 0.5 . 1 . . . . 137 M CA . 15385 1 1485 . 1 1 137 137 MET CB C 13 31.140 0.5 . 1 . . . . 137 M CB . 15385 1 1486 . 1 1 137 137 MET CE C 13 17.830 0.5 . 1 . . . . 137 M CE . 15385 1 1487 . 1 1 137 137 MET CG C 13 32.140 0.5 . 1 . . . . 137 M CG . 15385 1 1488 . 1 1 137 137 MET N N 15 117.790 0.4 . 1 . . . . 137 M N . 15385 1 1489 . 1 1 138 138 LYS H H 1 7.800 0.03 . 1 . . . . 138 K HN . 15385 1 1490 . 1 1 138 138 LYS HA H 1 4.056 0.03 . 1 . . . . 138 K HA . 15385 1 1491 . 1 1 138 138 LYS HB2 H 1 1.914 0.03 . 2 . . . . 138 K HB1 . 15385 1 1492 . 1 1 138 138 LYS HB3 H 1 1.914 0.03 . 2 . . . . 138 K HB2 . 15385 1 1493 . 1 1 138 138 LYS HD2 H 1 1.694 0.03 . 2 . . . . 138 K HD1 . 15385 1 1494 . 1 1 138 138 LYS HD3 H 1 1.694 0.03 . 2 . . . . 138 K HD2 . 15385 1 1495 . 1 1 138 138 LYS HE2 H 1 2.961 0.03 . 2 . . . . 138 K HE1 . 15385 1 1496 . 1 1 138 138 LYS HE3 H 1 2.961 0.03 . 2 . . . . 138 K HE2 . 15385 1 1497 . 1 1 138 138 LYS HG2 H 1 1.469 0.03 . 2 . . . . 138 K HG1 . 15385 1 1498 . 1 1 138 138 LYS HG3 H 1 1.620 0.03 . 2 . . . . 138 K HG2 . 15385 1 1499 . 1 1 138 138 LYS CA C 13 59.250 0.5 . 1 . . . . 138 K CA . 15385 1 1500 . 1 1 138 138 LYS CB C 13 32.140 0.5 . 1 . . . . 138 K CB . 15385 1 1501 . 1 1 138 138 LYS CD C 13 29.330 0.5 . 1 . . . . 138 K CD . 15385 1 1502 . 1 1 138 138 LYS CE C 13 42.030 0.5 . 1 . . . . 138 K CE . 15385 1 1503 . 1 1 138 138 LYS CG C 13 25.080 0.5 . 1 . . . . 138 K CG . 15385 1 1504 . 1 1 138 138 LYS N N 15 117.700 0.4 . 1 . . . . 138 K N . 15385 1 1505 . 1 1 139 139 ASP H H 1 7.800 0.03 . 1 . . . . 139 D HN . 15385 1 1506 . 1 1 139 139 ASP HA H 1 4.506 0.03 . 1 . . . . 139 D HA . 15385 1 1507 . 1 1 139 139 ASP HB2 H 1 2.800 0.03 . 2 . . . . 139 D HB1 . 15385 1 1508 . 1 1 139 139 ASP HB3 H 1 2.855 0.03 . 2 . . . . 139 D HB2 . 15385 1 1509 . 1 1 139 139 ASP CA C 13 56.340 0.5 . 1 . . . . 139 D CA . 15385 1 1510 . 1 1 139 139 ASP CB C 13 41.260 0.5 . 1 . . . . 139 D CB . 15385 1 1511 . 1 1 139 139 ASP N N 15 117.130 0.4 . 1 . . . . 139 D N . 15385 1 1512 . 1 1 140 140 GLY H H 1 8.130 0.03 . 1 . . . . 140 G HN . 15385 1 1513 . 1 1 140 140 GLY HA2 H 1 3.128 0.03 . 2 . . . . 140 G HA1 . 15385 1 1514 . 1 1 140 140 GLY HA3 H 1 4.128 0.03 . 2 . . . . 140 G HA2 . 15385 1 1515 . 1 1 140 140 GLY CA C 13 45.670 0.5 . 1 . . . . 140 G CA . 15385 1 1516 . 1 1 140 140 GLY N N 15 104.700 0.4 . 1 . . . . 140 G N . 15385 1 1517 . 1 1 141 141 ASP H H 1 8.220 0.03 . 1 . . . . 141 D HN . 15385 1 1518 . 1 1 141 141 ASP HA H 1 4.618 0.03 . 1 . . . . 141 D HA . 15385 1 1519 . 1 1 141 141 ASP HB2 H 1 2.436 0.03 . 2 . . . . 141 D HB1 . 15385 1 1520 . 1 1 141 141 ASP HB3 H 1 2.990 0.03 . 2 . . . . 141 D HB2 . 15385 1 1521 . 1 1 141 141 ASP CA C 13 53.120 0.5 . 1 . . . . 141 D CA . 15385 1 1522 . 1 1 141 141 ASP CB C 13 39.600 0.5 . 1 . . . . 141 D CB . 15385 1 1523 . 1 1 141 141 ASP N N 15 120.260 0.4 . 1 . . . . 141 D N . 15385 1 1524 . 1 1 142 142 LYS H H 1 7.810 0.03 . 1 . . . . 142 K HN . 15385 1 1525 . 1 1 142 142 LYS HA H 1 4.196 0.03 . 1 . . . . 142 K HA . 15385 1 1526 . 1 1 142 142 LYS HB2 H 1 1.993 0.03 . 2 . . . . 142 K HB1 . 15385 1 1527 . 1 1 142 142 LYS HB3 H 1 1.993 0.03 . 2 . . . . 142 K HB2 . 15385 1 1528 . 1 1 142 142 LYS HD2 H 1 1.735 0.03 . 2 . . . . 142 K HD1 . 15385 1 1529 . 1 1 142 142 LYS HD3 H 1 1.735 0.03 . 2 . . . . 142 K HD2 . 15385 1 1530 . 1 1 142 142 LYS HE2 H 1 3.099 0.03 . 2 . . . . 142 K HE1 . 15385 1 1531 . 1 1 142 142 LYS HE3 H 1 3.099 0.03 . 2 . . . . 142 K HE2 . 15385 1 1532 . 1 1 142 142 LYS HG2 H 1 1.678 0.03 . 2 . . . . 142 K HG1 . 15385 1 1533 . 1 1 142 142 LYS HG3 H 1 1.561 0.03 . 2 . . . . 142 K HG2 . 15385 1 1534 . 1 1 142 142 LYS CA C 13 57.630 0.5 . 1 . . . . 142 K CA . 15385 1 1535 . 1 1 142 142 LYS CB C 13 32.850 0.5 . 1 . . . . 142 K CB . 15385 1 1536 . 1 1 142 142 LYS CD C 13 28.350 0.5 . 1 . . . . 142 K CD . 15385 1 1537 . 1 1 142 142 LYS CE C 13 42.170 0.5 . 1 . . . . 142 K CE . 15385 1 1538 . 1 1 142 142 LYS CG C 13 24.690 0.5 . 1 . . . . 142 K CG . 15385 1 1539 . 1 1 142 142 LYS N N 15 125.660 0.4 . 1 . . . . 142 K N . 15385 1 1540 . 1 1 143 143 ASN H H 1 8.120 0.03 . 1 . . . . 143 N HN . 15385 1 1541 . 1 1 143 143 ASN HA H 1 4.851 0.03 . 1 . . . . 143 N HA . 15385 1 1542 . 1 1 143 143 ASN HB2 H 1 2.250 0.03 . 2 . . . . 143 N HB1 . 15385 1 1543 . 1 1 143 143 ASN HB3 H 1 2.473 0.03 . 2 . . . . 143 N HB2 . 15385 1 1544 . 1 1 143 143 ASN CA C 13 51.610 0.5 . 1 . . . . 143 N CA . 15385 1 1545 . 1 1 143 143 ASN CB C 13 37.190 0.5 . 1 . . . . 143 N CB . 15385 1 1546 . 1 1 143 143 ASN N N 15 113.640 0.4 . 1 . . . . 143 N N . 15385 1 1547 . 1 1 144 144 ASN H H 1 7.760 0.03 . 1 . . . . 144 N HN . 15385 1 1548 . 1 1 144 144 ASN HA H 1 4.492 0.03 . 1 . . . . 144 N HA . 15385 1 1549 . 1 1 144 144 ASN HB2 H 1 2.670 0.03 . 2 . . . . 144 N HB1 . 15385 1 1550 . 1 1 144 144 ASN HB3 H 1 3.072 0.03 . 2 . . . . 144 N HB2 . 15385 1 1551 . 1 1 144 144 ASN CA C 13 55.010 0.5 . 1 . . . . 144 N CA . 15385 1 1552 . 1 1 144 144 ASN CB C 13 37.700 0.5 . 1 . . . . 144 N CB . 15385 1 1553 . 1 1 144 144 ASN N N 15 115.570 0.4 . 1 . . . . 144 N N . 15385 1 1554 . 1 1 145 145 ASP H H 1 8.580 0.03 . 1 . . . . 145 D HN . 15385 1 1555 . 1 1 145 145 ASP HA H 1 4.725 0.03 . 1 . . . . 145 D HA . 15385 1 1556 . 1 1 145 145 ASP HB2 H 1 2.680 0.03 . 2 . . . . 145 D HB1 . 15385 1 1557 . 1 1 145 145 ASP HB3 H 1 2.869 0.03 . 2 . . . . 145 D HB2 . 15385 1 1558 . 1 1 145 145 ASP CA C 13 52.990 0.5 . 1 . . . . 145 D CA . 15385 1 1559 . 1 1 145 145 ASP CB C 13 40.930 0.5 . 1 . . . . 145 D CB . 15385 1 1560 . 1 1 145 145 ASP N N 15 118.060 0.4 . 1 . . . . 145 D N . 15385 1 1561 . 1 1 146 146 GLY H H 1 10.400 0.03 . 1 . . . . 146 G HN . 15385 1 1562 . 1 1 146 146 GLY HA2 H 1 4.056 0.03 . 2 . . . . 146 G HA1 . 15385 1 1563 . 1 1 146 146 GLY HA3 H 1 3.491 0.03 . 2 . . . . 146 G HA2 . 15385 1 1564 . 1 1 146 146 GLY CA C 13 45.810 0.5 . 1 . . . . 146 G CA . 15385 1 1565 . 1 1 146 146 GLY N N 15 113.040 0.4 . 1 . . . . 146 G N . 15385 1 1566 . 1 1 147 147 ARG H H 1 7.730 0.03 . 1 . . . . 147 R HN . 15385 1 1567 . 1 1 147 147 ARG HA H 1 4.809 0.03 . 1 . . . . 147 R HA . 15385 1 1568 . 1 1 147 147 ARG HB2 H 1 1.491 0.03 . 2 . . . . 147 R HB1 . 15385 1 1569 . 1 1 147 147 ARG HB3 H 1 1.612 0.03 . 2 . . . . 147 R HB2 . 15385 1 1570 . 1 1 147 147 ARG HD2 H 1 2.238 0.03 . 2 . . . . 147 R HD1 . 15385 1 1571 . 1 1 147 147 ARG HD3 H 1 2.537 0.03 . 2 . . . . 147 R HD2 . 15385 1 1572 . 1 1 147 147 ARG HG2 H 1 1.238 0.03 . 2 . . . . 147 R HG1 . 15385 1 1573 . 1 1 147 147 ARG HG3 H 1 1.284 0.03 . 2 . . . . 147 R HG2 . 15385 1 1574 . 1 1 147 147 ARG CA C 13 54.020 0.5 . 1 . . . . 147 R CA . 15385 1 1575 . 1 1 147 147 ARG CB C 13 34.200 0.5 . 1 . . . . 147 R CB . 15385 1 1576 . 1 1 147 147 ARG CD C 13 43.000 0.5 . 1 . . . . 147 R CD . 15385 1 1577 . 1 1 147 147 ARG CG C 13 25.600 0.5 . 1 . . . . 147 R CG . 15385 1 1578 . 1 1 147 147 ARG N N 15 115.540 0.4 . 1 . . . . 147 R N . 15385 1 1579 . 1 1 148 148 ILE H H 1 9.260 0.03 . 1 . . . . 148 I HN . 15385 1 1580 . 1 1 148 148 ILE HA H 1 5.260 0.03 . 1 . . . . 148 I HA . 15385 1 1581 . 1 1 148 148 ILE HB H 1 2.105 0.03 . 1 . . . . 148 I HB . 15385 1 1582 . 1 1 148 148 ILE HD11 H 1 0.565 0.03 . 1 . . . . 148 I HD1 . 15385 1 1583 . 1 1 148 148 ILE HD12 H 1 0.565 0.03 . 1 . . . . 148 I HD1 . 15385 1 1584 . 1 1 148 148 ILE HD13 H 1 0.565 0.03 . 1 . . . . 148 I HD1 . 15385 1 1585 . 1 1 148 148 ILE HG12 H 1 0.901 0.03 . 1 . . . . 148 I HG11 . 15385 1 1586 . 1 1 148 148 ILE HG13 H 1 1.485 0.03 . 1 . . . . 148 I HG12 . 15385 1 1587 . 1 1 148 148 ILE HG21 H 1 1.176 0.03 . 1 . . . . 148 I HG2 . 15385 1 1588 . 1 1 148 148 ILE HG22 H 1 1.176 0.03 . 1 . . . . 148 I HG2 . 15385 1 1589 . 1 1 148 148 ILE HG23 H 1 1.176 0.03 . 1 . . . . 148 I HG2 . 15385 1 1590 . 1 1 148 148 ILE CA C 13 59.490 0.5 . 1 . . . . 148 I CA . 15385 1 1591 . 1 1 148 148 ILE CB C 13 39.220 0.5 . 1 . . . . 148 I CB . 15385 1 1592 . 1 1 148 148 ILE CD1 C 13 12.310 0.5 . 1 . . . . 148 I CD1 . 15385 1 1593 . 1 1 148 148 ILE CG1 C 13 27.930 0.5 . 1 . . . . 148 I CG1 . 15385 1 1594 . 1 1 148 148 ILE CG2 C 13 17.720 0.5 . 1 . . . . 148 I CG2 . 15385 1 1595 . 1 1 148 148 ILE N N 15 125.900 0.4 . 1 . . . . 148 I N . 15385 1 1596 . 1 1 149 149 ASP H H 1 9.260 0.03 . 1 . . . . 149 D HN . 15385 1 1597 . 1 1 149 149 ASP HA H 1 5.233 0.03 . 1 . . . . 149 D HA . 15385 1 1598 . 1 1 149 149 ASP HB2 H 1 2.862 0.03 . 2 . . . . 149 D HB1 . 15385 1 1599 . 1 1 149 149 ASP HB3 H 1 3.257 0.03 . 2 . . . . 149 D HB2 . 15385 1 1600 . 1 1 149 149 ASP CA C 13 52.370 0.5 . 1 . . . . 149 D CA . 15385 1 1601 . 1 1 149 149 ASP CB C 13 41.850 0.5 . 1 . . . . 149 D CB . 15385 1 1602 . 1 1 149 149 ASP N N 15 128.660 0.4 . 1 . . . . 149 D N . 15385 1 1603 . 1 1 150 150 TYR H H 1 8.450 0.03 . 1 . . . . 150 Y HN . 15385 1 1604 . 1 1 150 150 TYR HA H 1 3.331 0.03 . 1 . . . . 150 Y HA . 15385 1 1605 . 1 1 150 150 TYR HB2 H 1 2.153 0.03 . 2 . . . . 150 Y HB1 . 15385 1 1606 . 1 1 150 150 TYR HB3 H 1 2.464 0.03 . 2 . . . . 150 Y HB2 . 15385 1 1607 . 1 1 150 150 TYR HD1 H 1 6.423 0.03 . 3 . . . . 150 Y HD1 . 15385 1 1608 . 1 1 150 150 TYR HE1 H 1 6.601 0.03 . 3 . . . . 150 Y HE1 . 15385 1 1609 . 1 1 150 150 TYR CA C 13 62.030 0.5 . 1 . . . . 150 Y CA . 15385 1 1610 . 1 1 150 150 TYR CB C 13 38.160 0.5 . 1 . . . . 150 Y CB . 15385 1 1611 . 1 1 150 150 TYR CD1 C 13 132.840 0.5 . 3 . . . . 150 Y CD1 . 15385 1 1612 . 1 1 150 150 TYR CE1 C 13 117.840 0.5 . 3 . . . . 150 Y CE1 . 15385 1 1613 . 1 1 150 150 TYR N N 15 118.640 0.4 . 1 . . . . 150 Y N . 15385 1 1614 . 1 1 151 151 ASP H H 1 7.740 0.03 . 1 . . . . 151 D HN . 15385 1 1615 . 1 1 151 151 ASP HA H 1 4.162 0.03 . 1 . . . . 151 D HA . 15385 1 1616 . 1 1 151 151 ASP HB2 H 1 2.009 0.03 . 2 . . . . 151 D HB1 . 15385 1 1617 . 1 1 151 151 ASP HB3 H 1 2.734 0.03 . 2 . . . . 151 D HB2 . 15385 1 1618 . 1 1 151 151 ASP CA C 13 57.860 0.5 . 1 . . . . 151 D CA . 15385 1 1619 . 1 1 151 151 ASP CB C 13 40.600 0.5 . 1 . . . . 151 D CB . 15385 1 1620 . 1 1 151 151 ASP N N 15 117.500 0.4 . 1 . . . . 151 D N . 15385 1 1621 . 1 1 152 152 GLU H H 1 8.790 0.03 . 1 . . . . 152 E HN . 15385 1 1622 . 1 1 152 152 GLU HA H 1 4.123 0.03 . 1 . . . . 152 E HA . 15385 1 1623 . 1 1 152 152 GLU HB2 H 1 2.309 0.03 . 2 . . . . 152 E HB2 . 15385 1 1624 . 1 1 152 152 GLU HG2 H 1 3.016 0.03 . 2 . . . . 152 E HG2 . 15385 1 1625 . 1 1 152 152 GLU CA C 13 58.520 0.5 . 1 . . . . 152 E CA . 15385 1 1626 . 1 1 152 152 GLU CB C 13 30.080 0.5 . 1 . . . . 152 E CB . 15385 1 1627 . 1 1 152 152 GLU CG C 13 37.130 0.5 . 1 . . . . 152 E CG . 15385 1 1628 . 1 1 152 152 GLU N N 15 120.550 0.4 . 1 . . . . 152 E N . 15385 1 1629 . 1 1 153 153 PHE H H 1 9.280 0.03 . 1 . . . . 153 F HN . 15385 1 1630 . 1 1 153 153 PHE HA H 1 4.084 0.03 . 1 . . . . 153 F HA . 15385 1 1631 . 1 1 153 153 PHE HB2 H 1 3.391 0.03 . 2 . . . . 153 F HB1 . 15385 1 1632 . 1 1 153 153 PHE HB3 H 1 3.302 0.03 . 2 . . . . 153 F HB2 . 15385 1 1633 . 1 1 153 153 PHE CA C 13 61.750 0.5 . 1 . . . . 153 F CA . 15385 1 1634 . 1 1 153 153 PHE CB C 13 39.880 0.5 . 1 . . . . 153 F CB . 15385 1 1635 . 1 1 153 153 PHE N N 15 124.510 0.4 . 1 . . . . 153 F N . 15385 1 1636 . 1 1 154 154 LEU H H 1 8.110 0.03 . 1 . . . . 154 L HN . 15385 1 1637 . 1 1 154 154 LEU HA H 1 3.670 0.03 . 1 . . . . 154 L HA . 15385 1 1638 . 1 1 154 154 LEU HB2 H 1 1.742 0.03 . 2 . . . . 154 L HB1 . 15385 1 1639 . 1 1 154 154 LEU HB3 H 1 1.326 0.03 . 2 . . . . 154 L HB2 . 15385 1 1640 . 1 1 154 154 LEU HD11 H 1 0.743 0.03 . 2 . . . . 154 L HD1 . 15385 1 1641 . 1 1 154 154 LEU HD12 H 1 0.743 0.03 . 2 . . . . 154 L HD1 . 15385 1 1642 . 1 1 154 154 LEU HD13 H 1 0.743 0.03 . 2 . . . . 154 L HD1 . 15385 1 1643 . 1 1 154 154 LEU HD21 H 1 0.683 0.03 . 2 . . . . 154 L HD2 . 15385 1 1644 . 1 1 154 154 LEU HD22 H 1 0.683 0.03 . 2 . . . . 154 L HD2 . 15385 1 1645 . 1 1 154 154 LEU HD23 H 1 0.683 0.03 . 2 . . . . 154 L HD2 . 15385 1 1646 . 1 1 154 154 LEU HG H 1 1.390 0.03 . 1 . . . . 154 L HG . 15385 1 1647 . 1 1 154 154 LEU CA C 13 58.180 0.5 . 1 . . . . 154 L CA . 15385 1 1648 . 1 1 154 154 LEU CB C 13 41.630 0.5 . 1 . . . . 154 L CB . 15385 1 1649 . 1 1 154 154 LEU CD1 C 13 25.110 0.5 . 2 . . . . 154 L CD1 . 15385 1 1650 . 1 1 154 154 LEU CD2 C 13 23.420 0.5 . 2 . . . . 154 L CD2 . 15385 1 1651 . 1 1 154 154 LEU CG C 13 26.470 0.5 . 1 . . . . 154 L CG . 15385 1 1652 . 1 1 154 154 LEU N N 15 118.370 0.4 . 1 . . . . 154 L N . 15385 1 1653 . 1 1 155 155 GLU H H 1 7.180 0.03 . 1 . . . . 155 E HN . 15385 1 1654 . 1 1 155 155 GLU HA H 1 4.037 0.03 . 1 . . . . 155 E HA . 15385 1 1655 . 1 1 155 155 GLU HB2 H 1 2.120 0.03 . 2 . . . . 155 E HB1 . 15385 1 1656 . 1 1 155 155 GLU HB3 H 1 2.080 0.03 . 2 . . . . 155 E HB2 . 15385 1 1657 . 1 1 155 155 GLU HG2 H 1 2.420 0.03 . 2 . . . . 155 E HG1 . 15385 1 1658 . 1 1 155 155 GLU HG3 H 1 2.233 0.03 . 2 . . . . 155 E HG2 . 15385 1 1659 . 1 1 155 155 GLU CA C 13 58.760 0.5 . 1 . . . . 155 E CA . 15385 1 1660 . 1 1 155 155 GLU CB C 13 29.760 0.5 . 1 . . . . 155 E CB . 15385 1 1661 . 1 1 155 155 GLU CG C 13 35.990 0.5 . 1 . . . . 155 E CG . 15385 1 1662 . 1 1 155 155 GLU N N 15 116.010 0.4 . 1 . . . . 155 E N . 15385 1 1663 . 1 1 156 156 PHE H H 1 8.340 0.03 . 1 . . . . 156 F HN . 15385 1 1664 . 1 1 156 156 PHE HA H 1 4.377 0.03 . 1 . . . . 156 F HA . 15385 1 1665 . 1 1 156 156 PHE HB2 H 1 3.094 0.03 . 2 . . . . 156 F HB1 . 15385 1 1666 . 1 1 156 156 PHE HB3 H 1 3.309 0.03 . 2 . . . . 156 F HB2 . 15385 1 1667 . 1 1 156 156 PHE CA C 13 59.840 0.5 . 1 . . . . 156 F CA . 15385 1 1668 . 1 1 156 156 PHE CB C 13 39.960 0.5 . 1 . . . . 156 F CB . 15385 1 1669 . 1 1 156 156 PHE N N 15 121.090 0.4 . 1 . . . . 156 F N . 15385 1 1670 . 1 1 157 157 MET H H 1 8.090 0.03 . 1 . . . . 157 M HN . 15385 1 1671 . 1 1 157 157 MET HA H 1 4.161 0.03 . 1 . . . . 157 M HA . 15385 1 1672 . 1 1 157 157 MET HB2 H 1 2.170 0.03 . 2 . . . . 157 M HB1 . 15385 1 1673 . 1 1 157 157 MET HB3 H 1 2.170 0.03 . 2 . . . . 157 M HB2 . 15385 1 1674 . 1 1 157 157 MET HE1 H 1 2.153 0.03 . 1 . . . . 157 M HE . 15385 1 1675 . 1 1 157 157 MET HE2 H 1 2.153 0.03 . 1 . . . . 157 M HE . 15385 1 1676 . 1 1 157 157 MET HE3 H 1 2.153 0.03 . 1 . . . . 157 M HE . 15385 1 1677 . 1 1 157 157 MET HG2 H 1 2.642 0.03 . 2 . . . . 157 M HG1 . 15385 1 1678 . 1 1 157 157 MET HG3 H 1 2.569 0.03 . 2 . . . . 157 M HG2 . 15385 1 1679 . 1 1 157 157 MET CA C 13 54.700 0.5 . 1 . . . . 157 M CA . 15385 1 1680 . 1 1 157 157 MET CB C 13 31.010 0.5 . 1 . . . . 157 M CB . 15385 1 1681 . 1 1 157 157 MET CE C 13 15.130 0.5 . 1 . . . . 157 M CE . 15385 1 1682 . 1 1 157 157 MET CG C 13 31.670 0.5 . 1 . . . . 157 M CG . 15385 1 1683 . 1 1 157 157 MET N N 15 115.490 0.4 . 1 . . . . 157 M N . 15385 1 1684 . 1 1 158 158 LYS H H 1 7.450 0.03 . 1 . . . . 158 K HN . 15385 1 1685 . 1 1 158 158 LYS HA H 1 4.075 0.03 . 1 . . . . 158 K HA . 15385 1 1686 . 1 1 158 158 LYS HB2 H 1 1.868 0.03 . 2 . . . . 158 K HB1 . 15385 1 1687 . 1 1 158 158 LYS HB3 H 1 1.868 0.03 . 2 . . . . 158 K HB2 . 15385 1 1688 . 1 1 158 158 LYS HD2 H 1 1.653 0.03 . 2 . . . . 158 K HD1 . 15385 1 1689 . 1 1 158 158 LYS HD3 H 1 1.653 0.03 . 2 . . . . 158 K HD2 . 15385 1 1690 . 1 1 158 158 LYS HE2 H 1 2.918 0.03 . 2 . . . . 158 K HE1 . 15385 1 1691 . 1 1 158 158 LYS HE3 H 1 2.918 0.03 . 2 . . . . 158 K HE2 . 15385 1 1692 . 1 1 158 158 LYS HG2 H 1 1.411 0.03 . 2 . . . . 158 K HG1 . 15385 1 1693 . 1 1 158 158 LYS HG3 H 1 1.563 0.03 . 2 . . . . 158 K HG2 . 15385 1 1694 . 1 1 158 158 LYS CA C 13 58.230 0.5 . 1 . . . . 158 K CA . 15385 1 1695 . 1 1 158 158 LYS CB C 13 32.470 0.5 . 1 . . . . 158 K CB . 15385 1 1696 . 1 1 158 158 LYS CD C 13 29.360 0.5 . 1 . . . . 158 K CD . 15385 1 1697 . 1 1 158 158 LYS CE C 13 41.930 0.5 . 1 . . . . 158 K CE . 15385 1 1698 . 1 1 158 158 LYS CG C 13 25.020 0.5 . 1 . . . . 158 K CG . 15385 1 1699 . 1 1 158 158 LYS N N 15 119.540 0.4 . 1 . . . . 158 K N . 15385 1 1700 . 1 1 159 159 GLY H H 1 7.830 0.03 . 1 . . . . 159 G HN . 15385 1 1701 . 1 1 159 159 GLY HA2 H 1 4.029 0.03 . 2 . . . . 159 G HA1 . 15385 1 1702 . 1 1 159 159 GLY HA3 H 1 3.830 0.03 . 2 . . . . 159 G HA2 . 15385 1 1703 . 1 1 159 159 GLY CA C 13 45.320 0.5 . 1 . . . . 159 G CA . 15385 1 1704 . 1 1 159 159 GLY N N 15 107.090 0.4 . 1 . . . . 159 G N . 15385 1 1705 . 1 1 160 160 VAL H H 1 7.450 0.03 . 1 . . . . 160 V HN . 15385 1 1706 . 1 1 160 160 VAL HA H 1 4.071 0.03 . 1 . . . . 160 V HA . 15385 1 1707 . 1 1 160 160 VAL HB H 1 2.025 0.03 . 1 . . . . 160 V HB . 15385 1 1708 . 1 1 160 160 VAL HG11 H 1 0.820 0.03 . 2 . . . . 160 V HG1 . 15385 1 1709 . 1 1 160 160 VAL HG12 H 1 0.820 0.03 . 2 . . . . 160 V HG1 . 15385 1 1710 . 1 1 160 160 VAL HG13 H 1 0.820 0.03 . 2 . . . . 160 V HG1 . 15385 1 1711 . 1 1 160 160 VAL HG21 H 1 0.761 0.03 . 2 . . . . 160 V HG2 . 15385 1 1712 . 1 1 160 160 VAL HG22 H 1 0.761 0.03 . 2 . . . . 160 V HG2 . 15385 1 1713 . 1 1 160 160 VAL HG23 H 1 0.761 0.03 . 2 . . . . 160 V HG2 . 15385 1 1714 . 1 1 160 160 VAL CA C 13 62.200 0.5 . 1 . . . . 160 V CA . 15385 1 1715 . 1 1 160 160 VAL CB C 13 32.720 0.5 . 1 . . . . 160 V CB . 15385 1 1716 . 1 1 160 160 VAL CG1 C 13 21.190 0.5 . 2 . . . . 160 V CG1 . 15385 1 1717 . 1 1 160 160 VAL CG2 C 13 20.550 0.5 . 2 . . . . 160 V CG2 . 15385 1 1718 . 1 1 160 160 VAL N N 15 118.920 0.4 . 1 . . . . 160 V N . 15385 1 1719 . 1 1 161 161 GLU H H 1 7.860 0.03 . 1 . . . . 161 E HN . 15385 1 1720 . 1 1 161 161 GLU HA H 1 4.092 0.03 . 1 . . . . 161 E HA . 15385 1 1721 . 1 1 161 161 GLU HB2 H 1 2.009 0.03 . 2 . . . . 161 E HB1 . 15385 1 1722 . 1 1 161 161 GLU HB3 H 1 1.868 0.03 . 2 . . . . 161 E HB2 . 15385 1 1723 . 1 1 161 161 GLU HG2 H 1 2.200 0.03 . 2 . . . . 161 E HG1 . 15385 1 1724 . 1 1 161 161 GLU HG3 H 1 2.200 0.03 . 2 . . . . 161 E HG2 . 15385 1 1725 . 1 1 161 161 GLU CA C 13 58.060 0.5 . 1 . . . . 161 E CA . 15385 1 1726 . 1 1 161 161 GLU CB C 13 31.120 0.5 . 1 . . . . 161 E CB . 15385 1 1727 . 1 1 161 161 GLU CG C 13 36.560 0.5 . 1 . . . . 161 E CG . 15385 1 1728 . 1 1 161 161 GLU N N 15 129.180 0.4 . 1 . . . . 161 E N . 15385 1 stop_ save_