data_25120 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25120 _Entry.Title ; Human cardiac troponin C (aCys) in complex with cTnI[1-73] and cTnI[144-163] ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-07-31 _Entry.Accession_date 2014-07-31 _Entry.Last_release_date 2014-09-03 _Entry.Original_release_date 2014-09-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Peter Hwang . . . 25120 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25120 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 908 25120 '13C chemical shifts' 615 25120 '15N chemical shifts' 162 25120 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-09-03 2014-07-31 original author . 25120 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25118 cTnI[1-73] 25120 BMRB 25119 cTnI[1-73]-cTnC 25120 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25120 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'The intrinsically disordered cardiac-specific N-terminal region of troponin I positions the regulatory domain of troponin C' _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Peter Hwang . . . 25120 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25120 _Assembly.ID 1 _Assembly.Name cTnC-cTnI[1-73]-cTnI[144-163] _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 cTnC-cTnI[1-73]-cTnI[144-163] 1 $cTnC A . yes native no no . . . 25120 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cTnC _Entity.Sf_category entity _Entity.Sf_framecode cTnC _Entity.Entry_ID 25120 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name cTnC _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDDIYKAAVEQLTEEQKNEF KAAFDIFVLGAEDGSISTKE LGKVMRMLGQNPTPEELQEM IDEVDEDGSGTVDFDEFLVM MVRSMKDDSKGKSEEELSDL FRMFDKNADGYIDLDELKIM LQATGETITEDDIEELMKDG DKNNDGRIDYDEFLEFMKGV E ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 161 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15385 . F104W . . . . . 100.00 161 99.38 100.00 4.83e-106 . . . . 25120 1 2 no BMRB 15388 . F153W . . . . . 100.00 161 99.38 100.00 4.83e-106 . . . . 25120 1 3 no BMRB 15400 . F153(FTR) . . . . . 100.00 161 99.38 99.38 2.41e-105 . . . . 25120 1 4 no BMRB 15427 . F104(FTR) . . . . . 100.00 161 99.38 100.00 4.83e-106 . . . . 25120 1 5 no BMRB 16190 . cNTnC . . . . . 55.28 89 100.00 100.00 1.44e-53 . . . . 25120 1 6 no BMRB 16752 . TnC . . . . . 100.00 161 97.52 98.76 2.41e-104 . . . . 25120 1 7 no BMRB 17103 . cNTnC . . . . . 55.28 89 97.75 97.75 1.07e-52 . . . . 25120 1 8 no BMRB 19789 . cNTnC . . . . . 55.28 89 97.75 97.75 1.07e-52 . . . . 25120 1 9 no BMRB 25034 . cChimera . . . . . 55.28 141 98.88 98.88 2.00e-53 . . . . 25120 1 10 no BMRB 25035 . cChimeraX . . . . . 55.28 141 98.88 98.88 1.61e-53 . . . . 25120 1 11 no BMRB 25495 . cNTnC . . . . . 55.28 89 97.75 97.75 1.07e-52 . . . . 25120 1 12 no BMRB 25797 . entity_1 . . . . . 55.28 89 98.88 98.88 1.44e-52 . . . . 25120 1 13 no PDB 1AJ4 . "Structure Of Calcium-Saturated Cardiac Troponin C, Nmr, 1 Structure" . . . . . 98.76 161 98.74 100.00 2.94e-104 . . . . 25120 1 14 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 1.07e-52 . . . . 25120 1 15 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 99.38 100.00 7.24e-106 . . . . 25120 1 16 no PDB 1J1D . "Crystal Structure Of The 46kda Domain Of Human Cardiac Troponin In The Ca2+ Saturated Form" . . . . . 100.00 161 99.38 100.00 7.24e-106 . . . . 25120 1 17 no PDB 1J1E . "Crystal Structure Of The 52kda Domain Of Human Cardiac Troponin In The Ca2+ Saturated Form" . . . . . 100.00 161 99.38 100.00 7.24e-106 . . . . 25120 1 18 no PDB 1LA0 . "Solution Structure Of Calcium Saturated Cardiac Troponin C In The Troponin C-Troponin I Complex" . . . . . 100.00 161 97.52 98.76 2.41e-104 . . . . 25120 1 19 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 1.07e-52 . . . . 25120 1 20 no PDB 1MXL . "Structure Of Cardiac Troponin C-troponin I Complex" . . . . . 55.28 89 97.75 97.75 1.07e-52 . . . . 25120 1 21 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 1.07e-52 . . . . 25120 1 22 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 8.19e-53 . . . . 25120 1 23 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 8.19e-53 . . . . 25120 1 24 no PDB 2CTN . "Structure Of Calcium-Saturated Cardiac Troponin C, Nmr, 30 Structures" . . . . . 54.04 89 100.00 100.00 2.42e-52 . . . . 25120 1 25 no PDB 2JT0 . "Solution Structure Of F104w Cardiac Troponin C" . . . . . 100.00 161 99.38 100.00 4.83e-106 . . . . 25120 1 26 no PDB 2JT3 . "Solution Structure Of F153w Cardiac Troponin C" . . . . . 100.00 161 99.38 100.00 4.83e-106 . . . . 25120 1 27 no PDB 2JT8 . "Solution Structure Of The F153-To-5-Flurotryptophan Mutant Of Human Cardiac Troponin C" . . . . . 100.00 161 99.38 99.38 2.41e-105 . . . . 25120 1 28 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 2.41e-105 . . . . 25120 1 29 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 1.44e-53 . . . . 25120 1 30 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 1.07e-52 . . . . 25120 1 31 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 1.07e-52 . . . . 25120 1 32 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 1.07e-52 . . . . 25120 1 33 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 1.07e-52 . . . . 25120 1 34 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 1.07e-52 . . . . 25120 1 35 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 1.07e-52 . . . . 25120 1 36 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 1.07e-52 . . . . 25120 1 37 no DBJ BAA02369 . "cardiac troponin C [Gallus gallus]" . . . . . 100.00 161 97.52 98.76 2.41e-104 . . . . 25120 1 38 no DBJ BAG36483 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 161 98.76 98.76 2.38e-105 . . . . 25120 1 39 no EMBL CAA30736 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 161 98.76 98.76 2.38e-105 . . . . 25120 1 40 no EMBL CAG46663 . "TNNC1 [Homo sapiens]" . . . . . 100.00 161 98.76 98.76 2.38e-105 . . . . 25120 1 41 no EMBL CAG46683 . "TNNC1 [Homo sapiens]" . . . . . 100.00 161 98.76 98.76 2.38e-105 . . . . 25120 1 42 no GB AAA36772 . "slow twitch skeletal/cardiac muscle troponin C [Homo sapiens]" . . . . . 100.00 161 98.76 98.76 2.38e-105 . . . . 25120 1 43 no GB AAA37492 . "slow/cardiac troponin C, partial [Mus musculus]" . . . . . 100.00 161 98.14 98.76 8.28e-105 . . . . 25120 1 44 no GB AAA37493 . "slow/cardiac troponin C [Mus musculus]" . . . . . 100.00 161 98.14 98.76 8.28e-105 . . . . 25120 1 45 no GB AAA48654 . "slow muscle troponin C [Gallus gallus]" . . . . . 100.00 161 97.52 98.76 2.41e-104 . . . . 25120 1 46 no GB AAB91994 . "cardiac ventricular troponin C [Homo sapiens]" . . . . . 100.00 160 98.14 98.14 5.37e-103 . . . . 25120 1 47 no PIR TPHUCC . "troponin C, cardiac and slow skeletal muscle - human" . . . . . 100.00 161 98.76 98.76 2.38e-105 . . . . 25120 1 48 no PRF 1510257A . "troponin C" . . . . . 100.00 161 98.14 98.76 8.46e-105 . . . . 25120 1 49 no PRF 750650A . "troponin c,cardiac" . . . . . 100.00 161 98.14 98.76 8.46e-105 . . . . 25120 1 50 no REF NP_001029277 . "troponin C, slow skeletal and cardiac muscles [Rattus norvegicus]" . . . . . 100.00 161 98.14 98.76 8.28e-105 . . . . 25120 1 51 no REF NP_001029523 . "troponin C, slow skeletal and cardiac muscles [Bos taurus]" . . . . . 100.00 161 98.14 98.76 8.46e-105 . . . . 25120 1 52 no REF NP_001123715 . "troponin C, slow skeletal and cardiac muscles [Sus scrofa]" . . . . . 100.00 161 98.14 98.76 8.46e-105 . . . . 25120 1 53 no REF NP_001272501 . "troponin C, slow skeletal and cardiac muscles [Capra hircus]" . . . . . 100.00 161 98.14 98.76 8.46e-105 . . . . 25120 1 54 no REF NP_001291793 . "troponin C type 1 (slow) [Ailuropoda melanoleuca]" . . . . . 100.00 161 97.52 98.14 2.81e-104 . . . . 25120 1 55 no SP P02591 . "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" . . . . . 100.00 161 98.76 98.76 2.38e-105 . . . . 25120 1 56 no SP P09860 . "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" . . . . . 100.00 161 97.52 98.76 2.41e-104 . . . . 25120 1 57 no SP P19123 . "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" . . . . . 100.00 161 98.14 98.76 8.28e-105 . . . . 25120 1 58 no SP P63315 . "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" . . . . . 100.00 161 98.14 98.76 8.46e-105 . . . . 25120 1 59 no SP P63316 . "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" . . . . . 100.00 161 98.76 98.76 2.38e-105 . . . . 25120 1 60 no TPG DAA16908 . "TPA: troponin C, slow skeletal and cardiac muscles [Bos taurus]" . . . . . 100.00 161 98.14 98.76 8.46e-105 . . . . 25120 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25120 1 2 2 ASP . 25120 1 3 3 ASP . 25120 1 4 4 ILE . 25120 1 5 5 TYR . 25120 1 6 6 LYS . 25120 1 7 7 ALA . 25120 1 8 8 ALA . 25120 1 9 9 VAL . 25120 1 10 10 GLU . 25120 1 11 11 GLN . 25120 1 12 12 LEU . 25120 1 13 13 THR . 25120 1 14 14 GLU . 25120 1 15 15 GLU . 25120 1 16 16 GLN . 25120 1 17 17 LYS . 25120 1 18 18 ASN . 25120 1 19 19 GLU . 25120 1 20 20 PHE . 25120 1 21 21 LYS . 25120 1 22 22 ALA . 25120 1 23 23 ALA . 25120 1 24 24 PHE . 25120 1 25 25 ASP . 25120 1 26 26 ILE . 25120 1 27 27 PHE . 25120 1 28 28 VAL . 25120 1 29 29 LEU . 25120 1 30 30 GLY . 25120 1 31 31 ALA . 25120 1 32 32 GLU . 25120 1 33 33 ASP . 25120 1 34 34 GLY . 25120 1 35 35 SER . 25120 1 36 36 ILE . 25120 1 37 37 SER . 25120 1 38 38 THR . 25120 1 39 39 LYS . 25120 1 40 40 GLU . 25120 1 41 41 LEU . 25120 1 42 42 GLY . 25120 1 43 43 LYS . 25120 1 44 44 VAL . 25120 1 45 45 MET . 25120 1 46 46 ARG . 25120 1 47 47 MET . 25120 1 48 48 LEU . 25120 1 49 49 GLY . 25120 1 50 50 GLN . 25120 1 51 51 ASN . 25120 1 52 52 PRO . 25120 1 53 53 THR . 25120 1 54 54 PRO . 25120 1 55 55 GLU . 25120 1 56 56 GLU . 25120 1 57 57 LEU . 25120 1 58 58 GLN . 25120 1 59 59 GLU . 25120 1 60 60 MET . 25120 1 61 61 ILE . 25120 1 62 62 ASP . 25120 1 63 63 GLU . 25120 1 64 64 VAL . 25120 1 65 65 ASP . 25120 1 66 66 GLU . 25120 1 67 67 ASP . 25120 1 68 68 GLY . 25120 1 69 69 SER . 25120 1 70 70 GLY . 25120 1 71 71 THR . 25120 1 72 72 VAL . 25120 1 73 73 ASP . 25120 1 74 74 PHE . 25120 1 75 75 ASP . 25120 1 76 76 GLU . 25120 1 77 77 PHE . 25120 1 78 78 LEU . 25120 1 79 79 VAL . 25120 1 80 80 MET . 25120 1 81 81 MET . 25120 1 82 82 VAL . 25120 1 83 83 ARG . 25120 1 84 84 SER . 25120 1 85 85 MET . 25120 1 86 86 LYS . 25120 1 87 87 ASP . 25120 1 88 88 ASP . 25120 1 89 89 SER . 25120 1 90 90 LYS . 25120 1 91 91 GLY . 25120 1 92 92 LYS . 25120 1 93 93 SER . 25120 1 94 94 GLU . 25120 1 95 95 GLU . 25120 1 96 96 GLU . 25120 1 97 97 LEU . 25120 1 98 98 SER . 25120 1 99 99 ASP . 25120 1 100 100 LEU . 25120 1 101 101 PHE . 25120 1 102 102 ARG . 25120 1 103 103 MET . 25120 1 104 104 PHE . 25120 1 105 105 ASP . 25120 1 106 106 LYS . 25120 1 107 107 ASN . 25120 1 108 108 ALA . 25120 1 109 109 ASP . 25120 1 110 110 GLY . 25120 1 111 111 TYR . 25120 1 112 112 ILE . 25120 1 113 113 ASP . 25120 1 114 114 LEU . 25120 1 115 115 ASP . 25120 1 116 116 GLU . 25120 1 117 117 LEU . 25120 1 118 118 LYS . 25120 1 119 119 ILE . 25120 1 120 120 MET . 25120 1 121 121 LEU . 25120 1 122 122 GLN . 25120 1 123 123 ALA . 25120 1 124 124 THR . 25120 1 125 125 GLY . 25120 1 126 126 GLU . 25120 1 127 127 THR . 25120 1 128 128 ILE . 25120 1 129 129 THR . 25120 1 130 130 GLU . 25120 1 131 131 ASP . 25120 1 132 132 ASP . 25120 1 133 133 ILE . 25120 1 134 134 GLU . 25120 1 135 135 GLU . 25120 1 136 136 LEU . 25120 1 137 137 MET . 25120 1 138 138 LYS . 25120 1 139 139 ASP . 25120 1 140 140 GLY . 25120 1 141 141 ASP . 25120 1 142 142 LYS . 25120 1 143 143 ASN . 25120 1 144 144 ASN . 25120 1 145 145 ASP . 25120 1 146 146 GLY . 25120 1 147 147 ARG . 25120 1 148 148 ILE . 25120 1 149 149 ASP . 25120 1 150 150 TYR . 25120 1 151 151 ASP . 25120 1 152 152 GLU . 25120 1 153 153 PHE . 25120 1 154 154 LEU . 25120 1 155 155 GLU . 25120 1 156 156 PHE . 25120 1 157 157 MET . 25120 1 158 158 LYS . 25120 1 159 159 GLY . 25120 1 160 160 VAL . 25120 1 161 161 GLU . 25120 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 25120 1 . ASP 2 2 25120 1 . ASP 3 3 25120 1 . ILE 4 4 25120 1 . TYR 5 5 25120 1 . LYS 6 6 25120 1 . ALA 7 7 25120 1 . ALA 8 8 25120 1 . VAL 9 9 25120 1 . GLU 10 10 25120 1 . GLN 11 11 25120 1 . LEU 12 12 25120 1 . THR 13 13 25120 1 . GLU 14 14 25120 1 . GLU 15 15 25120 1 . GLN 16 16 25120 1 . LYS 17 17 25120 1 . ASN 18 18 25120 1 . GLU 19 19 25120 1 . PHE 20 20 25120 1 . LYS 21 21 25120 1 . ALA 22 22 25120 1 . ALA 23 23 25120 1 . PHE 24 24 25120 1 . ASP 25 25 25120 1 . ILE 26 26 25120 1 . PHE 27 27 25120 1 . VAL 28 28 25120 1 . LEU 29 29 25120 1 . GLY 30 30 25120 1 . ALA 31 31 25120 1 . GLU 32 32 25120 1 . ASP 33 33 25120 1 . GLY 34 34 25120 1 . SER 35 35 25120 1 . ILE 36 36 25120 1 . SER 37 37 25120 1 . THR 38 38 25120 1 . LYS 39 39 25120 1 . GLU 40 40 25120 1 . LEU 41 41 25120 1 . GLY 42 42 25120 1 . LYS 43 43 25120 1 . VAL 44 44 25120 1 . MET 45 45 25120 1 . ARG 46 46 25120 1 . MET 47 47 25120 1 . LEU 48 48 25120 1 . GLY 49 49 25120 1 . GLN 50 50 25120 1 . ASN 51 51 25120 1 . PRO 52 52 25120 1 . THR 53 53 25120 1 . PRO 54 54 25120 1 . GLU 55 55 25120 1 . GLU 56 56 25120 1 . LEU 57 57 25120 1 . GLN 58 58 25120 1 . GLU 59 59 25120 1 . MET 60 60 25120 1 . ILE 61 61 25120 1 . ASP 62 62 25120 1 . GLU 63 63 25120 1 . VAL 64 64 25120 1 . ASP 65 65 25120 1 . GLU 66 66 25120 1 . ASP 67 67 25120 1 . GLY 68 68 25120 1 . SER 69 69 25120 1 . GLY 70 70 25120 1 . THR 71 71 25120 1 . VAL 72 72 25120 1 . ASP 73 73 25120 1 . PHE 74 74 25120 1 . ASP 75 75 25120 1 . GLU 76 76 25120 1 . PHE 77 77 25120 1 . LEU 78 78 25120 1 . VAL 79 79 25120 1 . MET 80 80 25120 1 . MET 81 81 25120 1 . VAL 82 82 25120 1 . ARG 83 83 25120 1 . SER 84 84 25120 1 . MET 85 85 25120 1 . LYS 86 86 25120 1 . ASP 87 87 25120 1 . ASP 88 88 25120 1 . SER 89 89 25120 1 . LYS 90 90 25120 1 . GLY 91 91 25120 1 . LYS 92 92 25120 1 . SER 93 93 25120 1 . GLU 94 94 25120 1 . GLU 95 95 25120 1 . GLU 96 96 25120 1 . LEU 97 97 25120 1 . SER 98 98 25120 1 . ASP 99 99 25120 1 . LEU 100 100 25120 1 . PHE 101 101 25120 1 . ARG 102 102 25120 1 . MET 103 103 25120 1 . PHE 104 104 25120 1 . ASP 105 105 25120 1 . LYS 106 106 25120 1 . ASN 107 107 25120 1 . ALA 108 108 25120 1 . ASP 109 109 25120 1 . GLY 110 110 25120 1 . TYR 111 111 25120 1 . ILE 112 112 25120 1 . ASP 113 113 25120 1 . LEU 114 114 25120 1 . ASP 115 115 25120 1 . GLU 116 116 25120 1 . LEU 117 117 25120 1 . LYS 118 118 25120 1 . ILE 119 119 25120 1 . MET 120 120 25120 1 . LEU 121 121 25120 1 . GLN 122 122 25120 1 . ALA 123 123 25120 1 . THR 124 124 25120 1 . GLY 125 125 25120 1 . GLU 126 126 25120 1 . THR 127 127 25120 1 . ILE 128 128 25120 1 . THR 129 129 25120 1 . GLU 130 130 25120 1 . ASP 131 131 25120 1 . ASP 132 132 25120 1 . ILE 133 133 25120 1 . GLU 134 134 25120 1 . GLU 135 135 25120 1 . LEU 136 136 25120 1 . MET 137 137 25120 1 . LYS 138 138 25120 1 . ASP 139 139 25120 1 . GLY 140 140 25120 1 . ASP 141 141 25120 1 . LYS 142 142 25120 1 . ASN 143 143 25120 1 . ASN 144 144 25120 1 . ASP 145 145 25120 1 . GLY 146 146 25120 1 . ARG 147 147 25120 1 . ILE 148 148 25120 1 . ASP 149 149 25120 1 . TYR 150 150 25120 1 . ASP 151 151 25120 1 . GLU 152 152 25120 1 . PHE 153 153 25120 1 . LEU 154 154 25120 1 . GLU 155 155 25120 1 . PHE 156 156 25120 1 . MET 157 157 25120 1 . LYS 158 158 25120 1 . GLY 159 159 25120 1 . VAL 160 160 25120 1 . GLU 161 161 25120 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25120 _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 $cTnC . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 25120 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 25120 _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 $cTnC . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET3 . . . . . . 25120 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25120 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 cTnC '[U-100% 13C; U-100% 15N]' . . 1 $cTnC . . 0.5 . . mM . . . . 25120 1 2 cTnI[1-73] 'natural abundance' . . . . . . 0.5 . . mM . . . . 25120 1 3 cTnI[144-163] '[U-100% 15N]' . . . . . . 1 . . mM . . . . 25120 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25120 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25120 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 25120 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 313 . K 25120 1 pH 6.2 . pH 25120 1 pressure 1 . atm 25120 1 'ionic strength' 0.12 . M 25120 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25120 _Software.ID 1 _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' . . 25120 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25120 1 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 25120 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25120 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25120 _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 . . . 25120 1 2 spectrometer_2 Varian INOVA . 800 . . . 25120 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 25120 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25120 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25120 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 25120 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25120 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25120 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25120 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 25120 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 25120 1 2 '3D 1H-13C NOESY' . . . 25120 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 2 2 ASP HA H 1 4.632 . . 1 . . . . 2 D HA . 25120 1 2 . 1 1 2 2 ASP C C 13 176.090 . . 1 . . . . 2 D C . 25120 1 3 . 1 1 2 2 ASP CA C 13 54.895 . . 1 . . . . 2 D CA . 25120 1 4 . 1 1 3 3 ASP H H 1 8.477 . . 1 . . . . 3 D HN . 25120 1 5 . 1 1 3 3 ASP HA H 1 4.480 . . 1 . . . . 3 D HA . 25120 1 6 . 1 1 3 3 ASP HB2 H 1 2.680 . . 2 . . . . 3 D HB2 . 25120 1 7 . 1 1 3 3 ASP C C 13 177.756 . . 1 . . . . 3 D C . 25120 1 8 . 1 1 3 3 ASP CA C 13 56.020 . . 1 . . . . 3 D CA . 25120 1 9 . 1 1 3 3 ASP CB C 13 41.196 . . 1 . . . . 3 D CB . 25120 1 10 . 1 1 3 3 ASP N N 15 122.582 . . 1 . . . . 3 D N . 25120 1 11 . 1 1 4 4 ILE H H 1 8.182 . . 1 . . . . 4 I HN . 25120 1 12 . 1 1 4 4 ILE HA H 1 3.909 . . 1 . . . . 4 I HA . 25120 1 13 . 1 1 4 4 ILE HB H 1 1.655 . . 1 . . . . 4 I HB . 25120 1 14 . 1 1 4 4 ILE HG12 H 1 0.956 . . 2 . . . . 4 I HG12 . 25120 1 15 . 1 1 4 4 ILE HG21 H 1 0.575 . . 1 . . . . 4 I HG21 . 25120 1 16 . 1 1 4 4 ILE HG22 H 1 0.575 . . 1 . . . . 4 I HG22 . 25120 1 17 . 1 1 4 4 ILE HG23 H 1 0.575 . . 1 . . . . 4 I HG23 . 25120 1 18 . 1 1 4 4 ILE HD11 H 1 0.693 . . 1 . . . . 4 I HD11 . 25120 1 19 . 1 1 4 4 ILE HD12 H 1 0.693 . . 1 . . . . 4 I HD12 . 25120 1 20 . 1 1 4 4 ILE HD13 H 1 0.693 . . 1 . . . . 4 I HD13 . 25120 1 21 . 1 1 4 4 ILE C C 13 177.473 . . 1 . . . . 4 I C . 25120 1 22 . 1 1 4 4 ILE CA C 13 63.553 . . 1 . . . . 4 I CA . 25120 1 23 . 1 1 4 4 ILE CB C 13 37.733 . . 1 . . . . 4 I CB . 25120 1 24 . 1 1 4 4 ILE CG1 C 13 27.193 . . 1 . . . . 4 I CG1 . 25120 1 25 . 1 1 4 4 ILE CG2 C 13 17.145 . . 1 . . . . 4 I CG2 . 25120 1 26 . 1 1 4 4 ILE CD1 C 13 13.414 . . 1 . . . . 4 I CD1 . 25120 1 27 . 1 1 4 4 ILE N N 15 119.182 . . 1 . . . . 4 I N . 25120 1 28 . 1 1 5 5 TYR H H 1 7.603 . . 1 . . . . 5 Y HN . 25120 1 29 . 1 1 5 5 TYR HA H 1 4.454 . . 1 . . . . 5 Y HA . 25120 1 30 . 1 1 5 5 TYR HB2 H 1 2.916 . . 2 . . . . 5 Y HB2 . 25120 1 31 . 1 1 5 5 TYR HB3 H 1 3.098 . . 2 . . . . 5 Y HB3 . 25120 1 32 . 1 1 5 5 TYR HD1 H 1 7.066 . . 3 . . . . 5 Y HD1 . 25120 1 33 . 1 1 5 5 TYR HE1 H 1 6.820 . . 3 . . . . 5 Y HE1 . 25120 1 34 . 1 1 5 5 TYR C C 13 177.005 . . 1 . . . . 5 Y C . 25120 1 35 . 1 1 5 5 TYR CA C 13 59.654 . . 1 . . . . 5 Y CA . 25120 1 36 . 1 1 5 5 TYR CB C 13 37.823 . . 1 . . . . 5 Y CB . 25120 1 37 . 1 1 5 5 TYR N N 15 120.749 . . 1 . . . . 5 Y N . 25120 1 38 . 1 1 6 6 LYS H H 1 7.891 . . 1 . . . . 6 K HN . 25120 1 39 . 1 1 6 6 LYS HA H 1 3.980 . . 1 . . . . 6 K HA . 25120 1 40 . 1 1 6 6 LYS HB2 H 1 1.847 . . 2 . . . . 6 K HB2 . 25120 1 41 . 1 1 6 6 LYS HG2 H 1 1.469 . . 2 . . . . 6 K HG2 . 25120 1 42 . 1 1 6 6 LYS HE2 H 1 2.975 . . 2 . . . . 6 K HE2 . 25120 1 43 . 1 1 6 6 LYS C C 13 178.696 . . 1 . . . . 6 K C . 25120 1 44 . 1 1 6 6 LYS CA C 13 59.596 . . 1 . . . . 6 K CA . 25120 1 45 . 1 1 6 6 LYS CB C 13 32.386 . . 1 . . . . 6 K CB . 25120 1 46 . 1 1 6 6 LYS CG C 13 25.088 . . 1 . . . . 6 K CG . 25120 1 47 . 1 1 6 6 LYS CE C 13 41.798 . . 1 . . . . 6 K CE . 25120 1 48 . 1 1 6 6 LYS N N 15 120.766 . . 1 . . . . 6 K N . 25120 1 49 . 1 1 7 7 ALA H H 1 7.917 . . 1 . . . . 7 A HN . 25120 1 50 . 1 1 7 7 ALA HA H 1 4.144 . . 1 . . . . 7 A HA . 25120 1 51 . 1 1 7 7 ALA HB1 H 1 1.404 . . 1 . . . . 7 A HB1 . 25120 1 52 . 1 1 7 7 ALA HB2 H 1 1.404 . . 1 . . . . 7 A HB2 . 25120 1 53 . 1 1 7 7 ALA HB3 H 1 1.404 . . 1 . . . . 7 A HB3 . 25120 1 54 . 1 1 7 7 ALA C C 13 179.546 . . 1 . . . . 7 A C . 25120 1 55 . 1 1 7 7 ALA CA C 13 54.430 . . 1 . . . . 7 A CA . 25120 1 56 . 1 1 7 7 ALA CB C 13 18.014 . . 1 . . . . 7 A CB . 25120 1 57 . 1 1 7 7 ALA N N 15 120.343 . . 1 . . . . 7 A N . 25120 1 58 . 1 1 8 8 ALA H H 1 7.479 . . 1 . . . . 8 A HN . 25120 1 59 . 1 1 8 8 ALA HA H 1 4.180 . . 1 . . . . 8 A HA . 25120 1 60 . 1 1 8 8 ALA HB1 H 1 1.554 . . 1 . . . . 8 A HB1 . 25120 1 61 . 1 1 8 8 ALA HB2 H 1 1.554 . . 1 . . . . 8 A HB2 . 25120 1 62 . 1 1 8 8 ALA HB3 H 1 1.554 . . 1 . . . . 8 A HB3 . 25120 1 63 . 1 1 8 8 ALA C C 13 180.659 . . 1 . . . . 8 A C . 25120 1 64 . 1 1 8 8 ALA CA C 13 54.547 . . 1 . . . . 8 A CA . 25120 1 65 . 1 1 8 8 ALA CB C 13 18.437 . . 1 . . . . 8 A CB . 25120 1 66 . 1 1 8 8 ALA N N 15 119.752 . . 1 . . . . 8 A N . 25120 1 67 . 1 1 9 9 VAL H H 1 8.012 . . 1 . . . . 9 V HN . 25120 1 68 . 1 1 9 9 VAL HA H 1 3.603 . . 1 . . . . 9 V HA . 25120 1 69 . 1 1 9 9 VAL HB H 1 2.132 . . 1 . . . . 9 V HB . 25120 1 70 . 1 1 9 9 VAL HG11 H 1 1.000 . . 2 . . . . 9 V HG11 . 25120 1 71 . 1 1 9 9 VAL HG12 H 1 1.000 . . 2 . . . . 9 V HG12 . 25120 1 72 . 1 1 9 9 VAL HG13 H 1 1.000 . . 2 . . . . 9 V HG13 . 25120 1 73 . 1 1 9 9 VAL HG21 H 1 0.944 . . 2 . . . . 9 V HG21 . 25120 1 74 . 1 1 9 9 VAL HG22 H 1 0.944 . . 2 . . . . 9 V HG22 . 25120 1 75 . 1 1 9 9 VAL HG23 H 1 0.944 . . 2 . . . . 9 V HG23 . 25120 1 76 . 1 1 9 9 VAL CA C 13 66.002 . . 9 . . . . 9 V CA . 25120 1 77 . 1 1 9 9 VAL CB C 13 32.016 . . 1 . . . . 9 V CB . 25120 1 78 . 1 1 9 9 VAL CG1 C 13 23.296 . . 2 . . . . 9 V CG1 . 25120 1 79 . 1 1 9 9 VAL CG2 C 13 21.982 . . 2 . . . . 9 V CG2 . 25120 1 80 . 1 1 9 9 VAL N N 15 118.874 . . 1 . . . . 9 V N . 25120 1 81 . 1 1 10 10 GLU H H 1 7.797 . . 1 . . . . 10 E HN . 25120 1 82 . 1 1 10 10 GLU HA H 1 4.106 . . 1 . . . . 10 E HA . 25120 1 83 . 1 1 10 10 GLU HB2 H 1 2.106 . . 2 . . . . 10 E HB2 . 25120 1 84 . 1 1 10 10 GLU HG2 H 1 2.451 . . 2 . . . . 10 E HG2 . 25120 1 85 . 1 1 10 10 GLU HG3 H 1 2.333 . . 2 . . . . 10 E HG3 . 25120 1 86 . 1 1 10 10 GLU CA C 13 58.298 . . 1 . . . . 10 E CA . 25120 1 87 . 1 1 10 10 GLU CB C 13 29.387 . . 1 . . . . 10 E CB . 25120 1 88 . 1 1 10 10 GLU CG C 13 36.445 . . 1 . . . . 10 E CG . 25120 1 89 . 1 1 10 10 GLU CD C 13 177.256 . . 1 . . . . 10 E CD . 25120 1 90 . 1 1 10 10 GLU N N 15 118.561 . . 1 . . . . 10 E N . 25120 1 91 . 1 1 11 11 GLN H H 1 7.367 . . 1 . . . . 11 Q HN . 25120 1 92 . 1 1 11 11 GLN HA H 1 4.309 . . 1 . . . . 11 Q HA . 25120 1 93 . 1 1 11 11 GLN HB2 H 1 2.060 . . 2 . . . . 11 Q HB2 . 25120 1 94 . 1 1 11 11 GLN HB3 H 1 2.340 . . 2 . . . . 11 Q HB3 . 25120 1 95 . 1 1 11 11 GLN HG2 H 1 2.472 . . 2 . . . . 11 Q HG2 . 25120 1 96 . 1 1 11 11 GLN HG3 H 1 2.524 . . 2 . . . . 11 Q HG3 . 25120 1 97 . 1 1 11 11 GLN HE21 H 1 6.754 . . 2 . . . . 11 Q HE21 . 25120 1 98 . 1 1 11 11 GLN C C 13 176.691 . . 1 . . . . 11 Q C . 25120 1 99 . 1 1 11 11 GLN CA C 13 55.574 . . 1 . . . . 11 Q CA . 25120 1 100 . 1 1 11 11 GLN CB C 13 29.310 . . 1 . . . . 11 Q CB . 25120 1 101 . 1 1 11 11 GLN CG C 13 34.096 . . 1 . . . . 11 Q CG . 25120 1 102 . 1 1 11 11 GLN N N 15 114.840 . . 1 . . . . 11 Q N . 25120 1 103 . 1 1 11 11 GLN NE2 N 15 111.673 . . 1 . . . . 11 Q NE2 . 25120 1 104 . 1 1 12 12 LEU H H 1 7.351 . . 1 . . . . 12 L HN . 25120 1 105 . 1 1 12 12 LEU HA H 1 4.516 . . 1 . . . . 12 L HA . 25120 1 106 . 1 1 12 12 LEU HB2 H 1 1.937 . . 2 . . . . 12 L HB2 . 25120 1 107 . 1 1 12 12 LEU HB3 H 1 1.424 . . 2 . . . . 12 L HB3 . 25120 1 108 . 1 1 12 12 LEU HG H 1 2.146 . . 1 . . . . 12 L HG . 25120 1 109 . 1 1 12 12 LEU HD11 H 1 0.918 . . 2 . . . . 12 L HD11 . 25120 1 110 . 1 1 12 12 LEU HD12 H 1 0.918 . . 2 . . . . 12 L HD12 . 25120 1 111 . 1 1 12 12 LEU HD13 H 1 0.918 . . 2 . . . . 12 L HD13 . 25120 1 112 . 1 1 12 12 LEU HD21 H 1 0.976 . . 2 . . . . 12 L HD21 . 25120 1 113 . 1 1 12 12 LEU HD22 H 1 0.976 . . 2 . . . . 12 L HD22 . 25120 1 114 . 1 1 12 12 LEU HD23 H 1 0.976 . . 2 . . . . 12 L HD23 . 25120 1 115 . 1 1 12 12 LEU C C 13 177.983 . . 1 . . . . 12 L C . 25120 1 116 . 1 1 12 12 LEU CA C 13 54.989 . . 1 . . . . 12 L CA . 25120 1 117 . 1 1 12 12 LEU CB C 13 43.129 . . 1 . . . . 12 L CB . 25120 1 118 . 1 1 12 12 LEU CG C 13 26.550 . . 1 . . . . 12 L CG . 25120 1 119 . 1 1 12 12 LEU CD1 C 13 23.122 . . 2 . . . . 12 L CD1 . 25120 1 120 . 1 1 12 12 LEU CD2 C 13 27.322 . . 2 . . . . 12 L CD2 . 25120 1 121 . 1 1 12 12 LEU N N 15 120.626 . . 1 . . . . 12 L N . 25120 1 122 . 1 1 13 13 THR H H 1 8.851 . . 1 . . . . 13 T HN . 25120 1 123 . 1 1 13 13 THR HA H 1 4.438 . . 1 . . . . 13 T HA . 25120 1 124 . 1 1 13 13 THR HB H 1 4.819 . . 1 . . . . 13 T HB . 25120 1 125 . 1 1 13 13 THR HG21 H 1 1.402 . . 1 . . . . 13 T HG21 . 25120 1 126 . 1 1 13 13 THR HG22 H 1 1.402 . . 1 . . . . 13 T HG22 . 25120 1 127 . 1 1 13 13 THR HG23 H 1 1.402 . . 1 . . . . 13 T HG23 . 25120 1 128 . 1 1 13 13 THR C C 13 177.953 . . 1 . . . . 13 T C . 25120 1 129 . 1 1 13 13 THR CA C 13 60.625 . . 1 . . . . 13 T CA . 25120 1 130 . 1 1 13 13 THR CB C 13 70.986 . . 1 . . . . 13 T CB . 25120 1 131 . 1 1 13 13 THR CG2 C 13 21.933 . . 1 . . . . 13 T CG2 . 25120 1 132 . 1 1 13 13 THR N N 15 113.659 . . 1 . . . . 13 T N . 25120 1 133 . 1 1 14 14 GLU H H 1 8.950 . . 1 . . . . 14 E HN . 25120 1 134 . 1 1 14 14 GLU HA H 1 3.964 . . 1 . . . . 14 E HA . 25120 1 135 . 1 1 14 14 GLU HB2 H 1 2.062 . . 2 . . . . 14 E HB2 . 25120 1 136 . 1 1 14 14 GLU HG2 H 1 2.351 . . 2 . . . . 14 E HG2 . 25120 1 137 . 1 1 14 14 GLU C C 13 178.616 . . 1 . . . . 14 E C . 25120 1 138 . 1 1 14 14 GLU CA C 13 59.885 . . 1 . . . . 14 E CA . 25120 1 139 . 1 1 14 14 GLU CB C 13 29.247 . . 1 . . . . 14 E CB . 25120 1 140 . 1 1 14 14 GLU CG C 13 36.205 . . 1 . . . . 14 E CG . 25120 1 141 . 1 1 14 14 GLU N N 15 121.626 . . 1 . . . . 14 E N . 25120 1 142 . 1 1 15 15 GLU H H 1 8.533 . . 1 . . . . 15 E HN . 25120 1 143 . 1 1 15 15 GLU HA H 1 4.036 . . 1 . . . . 15 E HA . 25120 1 144 . 1 1 15 15 GLU HB2 H 1 2.037 . . 2 . . . . 15 E HB2 . 25120 1 145 . 1 1 15 15 GLU HG2 H 1 2.319 . . 2 . . . . 15 E HG2 . 25120 1 146 . 1 1 15 15 GLU C C 13 179.393 . . 1 . . . . 15 E C . 25120 1 147 . 1 1 15 15 GLU CA C 13 60.109 . . 1 . . . . 15 E CA . 25120 1 148 . 1 1 15 15 GLU CB C 13 29.289 . . 1 . . . . 15 E CB . 25120 1 149 . 1 1 15 15 GLU CG C 13 36.597 . . 1 . . . . 15 E CG . 25120 1 150 . 1 1 15 15 GLU N N 15 117.650 . . 1 . . . . 15 E N . 25120 1 151 . 1 1 16 16 GLN H H 1 7.793 . . 1 . . . . 16 Q HN . 25120 1 152 . 1 1 16 16 GLN HA H 1 3.842 . . 1 . . . . 16 Q HA . 25120 1 153 . 1 1 16 16 GLN HB2 H 1 2.080 . . 2 . . . . 16 Q HB2 . 25120 1 154 . 1 1 16 16 GLN HB3 H 1 1.631 . . 2 . . . . 16 Q HB3 . 25120 1 155 . 1 1 16 16 GLN HG2 H 1 2.246 . . 2 . . . . 16 Q HG2 . 25120 1 156 . 1 1 16 16 GLN HG3 H 1 2.346 . . 2 . . . . 16 Q HG3 . 25120 1 157 . 1 1 16 16 GLN C C 13 178.584 . . 1 . . . . 16 Q C . 25120 1 158 . 1 1 16 16 GLN CA C 13 58.731 . . 1 . . . . 16 Q CA . 25120 1 159 . 1 1 16 16 GLN CB C 13 29.228 . . 1 . . . . 16 Q CB . 25120 1 160 . 1 1 16 16 GLN CG C 13 34.976 . . 1 . . . . 16 Q CG . 25120 1 161 . 1 1 16 16 GLN N N 15 119.178 . . 1 . . . . 16 Q N . 25120 1 162 . 1 1 17 17 LYS H H 1 8.510 . . 1 . . . . 17 K HN . 25120 1 163 . 1 1 17 17 LYS HA H 1 3.983 . . 1 . . . . 17 K HA . 25120 1 164 . 1 1 17 17 LYS HB2 H 1 1.997 . . 2 . . . . 17 K HB2 . 25120 1 165 . 1 1 17 17 LYS HG2 H 1 1.504 . . 2 . . . . 17 K HG2 . 25120 1 166 . 1 1 17 17 LYS HD2 H 1 1.780 . . 2 . . . . 17 K HD2 . 25120 1 167 . 1 1 17 17 LYS HE2 H 1 3.002 . . 2 . . . . 17 K HE2 . 25120 1 168 . 1 1 17 17 LYS C C 13 178.569 . . 1 . . . . 17 K C . 25120 1 169 . 1 1 17 17 LYS CA C 13 61.740 . . 1 . . . . 17 K CA . 25120 1 170 . 1 1 17 17 LYS CB C 13 32.099 . . 1 . . . . 17 K CB . 25120 1 171 . 1 1 17 17 LYS CG C 13 24.733 . . 1 . . . . 17 K CG . 25120 1 172 . 1 1 17 17 LYS CD C 13 29.435 . . 1 . . . . 17 K CD . 25120 1 173 . 1 1 17 17 LYS CE C 13 41.920 . . 1 . . . . 17 K CE . 25120 1 174 . 1 1 17 17 LYS N N 15 118.595 . . 1 . . . . 17 K N . 25120 1 175 . 1 1 18 18 ASN H H 1 8.506 . . 1 . . . . 18 N HN . 25120 1 176 . 1 1 18 18 ASN HA H 1 4.553 . . 1 . . . . 18 N HA . 25120 1 177 . 1 1 18 18 ASN HB2 H 1 2.814 . . 2 . . . . 18 N HB2 . 25120 1 178 . 1 1 18 18 ASN HB3 H 1 2.993 . . 2 . . . . 18 N HB3 . 25120 1 179 . 1 1 18 18 ASN HD21 H 1 7.560 . . 2 . . . . 18 N HD21 . 25120 1 180 . 1 1 18 18 ASN HD22 H 1 6.955 . . 2 . . . . 18 N HD22 . 25120 1 181 . 1 1 18 18 ASN C C 13 178.622 . . 1 . . . . 18 N C . 25120 1 182 . 1 1 18 18 ASN CA C 13 55.844 . . 1 . . . . 18 N CA . 25120 1 183 . 1 1 18 18 ASN CB C 13 37.805 . . 1 . . . . 18 N CB . 25120 1 184 . 1 1 18 18 ASN N N 15 117.733 . . 1 . . . . 18 N N . 25120 1 185 . 1 1 18 18 ASN ND2 N 15 111.683 . . 1 . . . . 18 N ND2 . 25120 1 186 . 1 1 19 19 GLU H H 1 8.009 . . 1 . . . . 19 E HN . 25120 1 187 . 1 1 19 19 GLU HA H 1 4.183 . . 1 . . . . 19 E HA . 25120 1 188 . 1 1 19 19 GLU HB2 H 1 2.031 . . 2 . . . . 19 E HB2 . 25120 1 189 . 1 1 19 19 GLU HG2 H 1 2.452 . . 2 . . . . 19 E HG2 . 25120 1 190 . 1 1 19 19 GLU HG3 H 1 2.253 . . 2 . . . . 19 E HG3 . 25120 1 191 . 1 1 19 19 GLU C C 13 179.147 . . 1 . . . . 19 E C . 25120 1 192 . 1 1 19 19 GLU CA C 13 59.382 . . 1 . . . . 19 E CA . 25120 1 193 . 1 1 19 19 GLU CB C 13 29.165 . . 1 . . . . 19 E CB . 25120 1 194 . 1 1 19 19 GLU CG C 13 35.854 . . 1 . . . . 19 E CG . 25120 1 195 . 1 1 19 19 GLU N N 15 123.233 . . 1 . . . . 19 E N . 25120 1 196 . 1 1 20 20 PHE H H 1 8.403 . . 1 . . . . 20 F HN . 25120 1 197 . 1 1 20 20 PHE HA H 1 4.947 . . 1 . . . . 20 F HA . 25120 1 198 . 1 1 20 20 PHE HB2 H 1 3.490 . . 2 . . . . 20 F HB2 . 25120 1 199 . 1 1 20 20 PHE HD1 H 1 7.220 . . 3 . . . . 20 F HD1 . 25120 1 200 . 1 1 20 20 PHE C C 13 178.570 . . 1 . . . . 20 F C . 25120 1 201 . 1 1 20 20 PHE CA C 13 59.316 . . 1 . . . . 20 F CA . 25120 1 202 . 1 1 20 20 PHE CB C 13 37.717 . . 1 . . . . 20 F CB . 25120 1 203 . 1 1 20 20 PHE N N 15 117.576 . . 1 . . . . 20 F N . 25120 1 204 . 1 1 21 21 LYS H H 1 8.876 . . 1 . . . . 21 K HN . 25120 1 205 . 1 1 21 21 LYS HA H 1 4.005 . . 1 . . . . 21 K HA . 25120 1 206 . 1 1 21 21 LYS HB2 H 1 2.037 . . 2 . . . . 21 K HB2 . 25120 1 207 . 1 1 21 21 LYS HB3 H 1 1.759 . . 2 . . . . 21 K HB3 . 25120 1 208 . 1 1 21 21 LYS HG2 H 1 1.120 . . 2 . . . . 21 K HG2 . 25120 1 209 . 1 1 21 21 LYS HG3 H 1 1.217 . . 2 . . . . 21 K HG3 . 25120 1 210 . 1 1 21 21 LYS HD2 H 1 0.567 . . 2 . . . . 21 K HD2 . 25120 1 211 . 1 1 21 21 LYS HD3 H 1 1.447 . . 2 . . . . 21 K HD3 . 25120 1 212 . 1 1 21 21 LYS HE2 H 1 2.672 . . 2 . . . . 21 K HE2 . 25120 1 213 . 1 1 21 21 LYS HE3 H 1 2.719 . . 2 . . . . 21 K HE3 . 25120 1 214 . 1 1 21 21 LYS C C 13 177.057 . . 1 . . . . 21 K C . 25120 1 215 . 1 1 21 21 LYS CA C 13 58.898 . . 1 . . . . 21 K CA . 25120 1 216 . 1 1 21 21 LYS CB C 13 31.710 . . 1 . . . . 21 K CB . 25120 1 217 . 1 1 21 21 LYS CG C 13 24.400 . . 1 . . . . 21 K CG . 25120 1 218 . 1 1 21 21 LYS CD C 13 27.250 . . 1 . . . . 21 K CD . 25120 1 219 . 1 1 21 21 LYS CE C 13 41.949 . . 1 . . . . 21 K CE . 25120 1 220 . 1 1 21 21 LYS N N 15 122.559 . . 1 . . . . 21 K N . 25120 1 221 . 1 1 22 22 ALA H H 1 7.810 . . 1 . . . . 22 A HN . 25120 1 222 . 1 1 22 22 ALA HA H 1 4.202 . . 1 . . . . 22 A HA . 25120 1 223 . 1 1 22 22 ALA HB1 H 1 1.565 . . 1 . . . . 22 A HB1 . 25120 1 224 . 1 1 22 22 ALA HB2 H 1 1.565 . . 1 . . . . 22 A HB2 . 25120 1 225 . 1 1 22 22 ALA HB3 H 1 1.565 . . 1 . . . . 22 A HB3 . 25120 1 226 . 1 1 22 22 ALA C C 13 180.592 . . 1 . . . . 22 A C . 25120 1 227 . 1 1 22 22 ALA CA C 13 54.834 . . 1 . . . . 22 A CA . 25120 1 228 . 1 1 22 22 ALA CB C 13 17.696 . . 1 . . . . 22 A CB . 25120 1 229 . 1 1 22 22 ALA N N 15 121.306 . . 1 . . . . 22 A N . 25120 1 230 . 1 1 23 23 ALA H H 1 7.912 . . 1 . . . . 23 A HN . 25120 1 231 . 1 1 23 23 ALA HA H 1 4.149 . . 1 . . . . 23 A HA . 25120 1 232 . 1 1 23 23 ALA HB1 H 1 1.826 . . 1 . . . . 23 A HB1 . 25120 1 233 . 1 1 23 23 ALA HB2 H 1 1.826 . . 1 . . . . 23 A HB2 . 25120 1 234 . 1 1 23 23 ALA HB3 H 1 1.826 . . 1 . . . . 23 A HB3 . 25120 1 235 . 1 1 23 23 ALA CA C 13 54.894 . . 1 . . . . 23 A CA . 25120 1 236 . 1 1 23 23 ALA CB C 13 18.825 . . 1 . . . . 23 A CB . 25120 1 237 . 1 1 23 23 ALA N N 15 118.979 . . 1 . . . . 23 A N . 25120 1 238 . 1 1 24 24 PHE H H 1 8.864 . . 1 . . . . 24 F HN . 25120 1 239 . 1 1 24 24 PHE HA H 1 3.490 . . 1 . . . . 24 F HA . 25120 1 240 . 1 1 24 24 PHE HB2 H 1 2.889 . . 2 . . . . 24 F HB2 . 25120 1 241 . 1 1 24 24 PHE HB3 H 1 3.212 . . 2 . . . . 24 F HB3 . 25120 1 242 . 1 1 24 24 PHE HD1 H 1 7.218 . . 3 . . . . 24 F HD1 . 25120 1 243 . 1 1 24 24 PHE C C 13 176.260 . . 1 . . . . 24 F C . 25120 1 244 . 1 1 24 24 PHE CA C 13 62.252 . . 1 . . . . 24 F CA . 25120 1 245 . 1 1 24 24 PHE CB C 13 39.940 . . 1 . . . . 24 F CB . 25120 1 246 . 1 1 24 24 PHE N N 15 120.924 . . 1 . . . . 24 F N . 25120 1 247 . 1 1 25 25 ASP H H 1 8.561 . . 1 . . . . 25 D HN . 25120 1 248 . 1 1 25 25 ASP HA H 1 4.287 . . 1 . . . . 25 D HA . 25120 1 249 . 1 1 25 25 ASP HB2 H 1 2.784 . . 2 . . . . 25 D HB2 . 25120 1 250 . 1 1 25 25 ASP HB3 H 1 2.519 . . 2 . . . . 25 D HB3 . 25120 1 251 . 1 1 25 25 ASP C C 13 178.975 . . 1 . . . . 25 D C . 25120 1 252 . 1 1 25 25 ASP CA C 13 56.764 . . 1 . . . . 25 D CA . 25120 1 253 . 1 1 25 25 ASP CB C 13 39.905 . . 1 . . . . 25 D CB . 25120 1 254 . 1 1 25 25 ASP N N 15 116.577 . . 1 . . . . 25 D N . 25120 1 255 . 1 1 26 26 ILE H H 1 7.277 . . 1 . . . . 26 I HN . 25120 1 256 . 1 1 26 26 ILE HA H 1 3.764 . . 1 . . . . 26 I HA . 25120 1 257 . 1 1 26 26 ILE HB H 1 1.936 . . 1 . . . . 26 I HB . 25120 1 258 . 1 1 26 26 ILE HG12 H 1 1.691 . . 2 . . . . 26 I HG12 . 25120 1 259 . 1 1 26 26 ILE HG13 H 1 1.217 . . 2 . . . . 26 I HG13 . 25120 1 260 . 1 1 26 26 ILE HG21 H 1 0.719 . . 1 . . . . 26 I HG21 . 25120 1 261 . 1 1 26 26 ILE HG22 H 1 0.719 . . 1 . . . . 26 I HG22 . 25120 1 262 . 1 1 26 26 ILE HG23 H 1 0.719 . . 1 . . . . 26 I HG23 . 25120 1 263 . 1 1 26 26 ILE HD11 H 1 0.839 . . 1 . . . . 26 I HD11 . 25120 1 264 . 1 1 26 26 ILE HD12 H 1 0.839 . . 1 . . . . 26 I HD12 . 25120 1 265 . 1 1 26 26 ILE HD13 H 1 0.839 . . 1 . . . . 26 I HD13 . 25120 1 266 . 1 1 26 26 ILE C C 13 178.324 . . 1 . . . . 26 I C . 25120 1 267 . 1 1 26 26 ILE CA C 13 63.795 . . 1 . . . . 26 I CA . 25120 1 268 . 1 1 26 26 ILE CB C 13 37.616 . . 1 . . . . 26 I CB . 25120 1 269 . 1 1 26 26 ILE CG1 C 13 28.686 . . 1 . . . . 26 I CG1 . 25120 1 270 . 1 1 26 26 ILE CG2 C 13 17.455 . . 1 . . . . 26 I CG2 . 25120 1 271 . 1 1 26 26 ILE CD1 C 13 13.057 . . 1 . . . . 26 I CD1 . 25120 1 272 . 1 1 26 26 ILE N N 15 119.169 . . 1 . . . . 26 I N . 25120 1 273 . 1 1 27 27 PHE H H 1 8.126 . . 1 . . . . 27 F HN . 25120 1 274 . 1 1 27 27 PHE HD1 H 1 7.168 . . 3 . . . . 27 F HD1 . 25120 1 275 . 1 1 27 27 PHE N N 15 122.203 . . 1 . . . . 27 F N . 25120 1 276 . 1 1 28 28 VAL H H 1 7.510 . . 1 . . . . 28 V HN . 25120 1 277 . 1 1 28 28 VAL HA H 1 3.984 . . 1 . . . . 28 V HA . 25120 1 278 . 1 1 28 28 VAL HB H 1 1.948 . . 1 . . . . 28 V HB . 25120 1 279 . 1 1 28 28 VAL HG11 H 1 0.229 . . 2 . . . . 28 V HG11 . 25120 1 280 . 1 1 28 28 VAL HG12 H 1 0.229 . . 2 . . . . 28 V HG12 . 25120 1 281 . 1 1 28 28 VAL HG13 H 1 0.229 . . 2 . . . . 28 V HG13 . 25120 1 282 . 1 1 28 28 VAL HG21 H 1 0.642 . . 2 . . . . 28 V HG21 . 25120 1 283 . 1 1 28 28 VAL HG22 H 1 0.642 . . 2 . . . . 28 V HG22 . 25120 1 284 . 1 1 28 28 VAL HG23 H 1 0.642 . . 2 . . . . 28 V HG23 . 25120 1 285 . 1 1 28 28 VAL CA C 13 61.675 . . 1 . . . . 28 V CA . 25120 1 286 . 1 1 28 28 VAL CB C 13 31.614 . . 1 . . . . 28 V CB . 25120 1 287 . 1 1 28 28 VAL CG1 C 13 21.468 . . 2 . . . . 28 V CG1 . 25120 1 288 . 1 1 28 28 VAL CG2 C 13 19.553 . . 2 . . . . 28 V CG2 . 25120 1 289 . 1 1 28 28 VAL N N 15 106.994 . . 1 . . . . 28 V N . 25120 1 290 . 1 1 29 29 LEU H H 1 7.274 . . 1 . . . . 29 L HN . 25120 1 291 . 1 1 29 29 LEU HA H 1 4.092 . . 1 . . . . 29 L HA . 25120 1 292 . 1 1 29 29 LEU HB2 H 1 1.791 . . 2 . . . . 29 L HB2 . 25120 1 293 . 1 1 29 29 LEU HB3 H 1 1.598 . . 2 . . . . 29 L HB3 . 25120 1 294 . 1 1 29 29 LEU HG H 1 1.763 . . 1 . . . . 29 L HG . 25120 1 295 . 1 1 29 29 LEU HD11 H 1 0.891 . . 2 . . . . 29 L HD11 . 25120 1 296 . 1 1 29 29 LEU HD12 H 1 0.891 . . 2 . . . . 29 L HD12 . 25120 1 297 . 1 1 29 29 LEU HD13 H 1 0.891 . . 2 . . . . 29 L HD13 . 25120 1 298 . 1 1 29 29 LEU CA C 13 56.922 . . 1 . . . . 29 L CA . 25120 1 299 . 1 1 29 29 LEU CB C 13 41.262 . . 1 . . . . 29 L CB . 25120 1 300 . 1 1 29 29 LEU CG C 13 26.719 . . 1 . . . . 29 L CG . 25120 1 301 . 1 1 29 29 LEU CD1 C 13 24.045 . . 2 . . . . 29 L CD1 . 25120 1 302 . 1 1 29 29 LEU N N 15 125.426 . . 1 . . . . 29 L N . 25120 1 303 . 1 1 30 30 GLY H H 1 8.747 . . 1 . . . . 30 G HN . 25120 1 304 . 1 1 30 30 GLY HA2 H 1 3.786 . . 2 . . . . 30 G HA2 . 25120 1 305 . 1 1 30 30 GLY HA3 H 1 4.052 . . 2 . . . . 30 G HA3 . 25120 1 306 . 1 1 30 30 GLY C C 13 174.126 . . 1 . . . . 30 G C . 25120 1 307 . 1 1 30 30 GLY CA C 13 45.416 . . 1 . . . . 30 G CA . 25120 1 308 . 1 1 30 30 GLY N N 15 111.857 . . 1 . . . . 30 G N . 25120 1 309 . 1 1 31 31 ALA H H 1 7.950 . . 1 . . . . 31 A HN . 25120 1 310 . 1 1 31 31 ALA HA H 1 4.429 . . 1 . . . . 31 A HA . 25120 1 311 . 1 1 31 31 ALA HB1 H 1 1.495 . . 1 . . . . 31 A HB1 . 25120 1 312 . 1 1 31 31 ALA HB2 H 1 1.495 . . 1 . . . . 31 A HB2 . 25120 1 313 . 1 1 31 31 ALA HB3 H 1 1.495 . . 1 . . . . 31 A HB3 . 25120 1 314 . 1 1 31 31 ALA C C 13 179.087 . . 1 . . . . 31 A C . 25120 1 315 . 1 1 31 31 ALA CA C 13 52.085 . . 1 . . . . 31 A CA . 25120 1 316 . 1 1 31 31 ALA CB C 13 19.645 . . 1 . . . . 31 A CB . 25120 1 317 . 1 1 31 31 ALA N N 15 124.070 . . 1 . . . . 31 A N . 25120 1 318 . 1 1 32 32 GLU H H 1 9.044 . . 1 . . . . 32 E HN . 25120 1 319 . 1 1 32 32 GLU HA H 1 4.095 . . 1 . . . . 32 E HA . 25120 1 320 . 1 1 32 32 GLU HB2 H 1 2.039 . . 2 . . . . 32 E HB2 . 25120 1 321 . 1 1 32 32 GLU HG2 H 1 2.325 . . 2 . . . . 32 E HG2 . 25120 1 322 . 1 1 32 32 GLU C C 13 177.166 . . 1 . . . . 32 E C . 25120 1 323 . 1 1 32 32 GLU CA C 13 59.050 . . 1 . . . . 32 E CA . 25120 1 324 . 1 1 32 32 GLU CB C 13 29.913 . . 1 . . . . 32 E CB . 25120 1 325 . 1 1 32 32 GLU CG C 13 36.360 . . 1 . . . . 32 E CG . 25120 1 326 . 1 1 32 32 GLU N N 15 124.292 . . 1 . . . . 32 E N . 25120 1 327 . 1 1 33 33 ASP H H 1 8.139 . . 1 . . . . 33 D HN . 25120 1 328 . 1 1 33 33 ASP HA H 1 4.729 . . 1 . . . . 33 D HA . 25120 1 329 . 1 1 33 33 ASP HB2 H 1 2.663 . . 2 . . . . 33 D HB2 . 25120 1 330 . 1 1 33 33 ASP HB3 H 1 2.913 . . 2 . . . . 33 D HB3 . 25120 1 331 . 1 1 33 33 ASP C C 13 177.639 . . 1 . . . . 33 D C . 25120 1 332 . 1 1 33 33 ASP CA C 13 53.193 . . 1 . . . . 33 D CA . 25120 1 333 . 1 1 33 33 ASP CB C 13 41.072 . . 1 . . . . 33 D CB . 25120 1 334 . 1 1 33 33 ASP N N 15 115.870 . . 1 . . . . 33 D N . 25120 1 335 . 1 1 34 34 GLY H H 1 7.628 . . 1 . . . . 34 G HN . 25120 1 336 . 1 1 34 34 GLY HA2 H 1 3.949 . . 2 . . . . 34 G HA2 . 25120 1 337 . 1 1 34 34 GLY C C 13 172.776 . . 1 . . . . 34 G C . 25120 1 338 . 1 1 34 34 GLY CA C 13 46.296 . . 1 . . . . 34 G CA . 25120 1 339 . 1 1 34 34 GLY N N 15 105.709 . . 1 . . . . 34 G N . 25120 1 340 . 1 1 35 35 SER H H 1 7.584 . . 1 . . . . 35 S HN . 25120 1 341 . 1 1 35 35 SER HA H 1 4.970 . . 1 . . . . 35 S HA . 25120 1 342 . 1 1 35 35 SER HB2 H 1 3.670 . . 2 . . . . 35 S HB2 . 25120 1 343 . 1 1 35 35 SER HB3 H 1 3.516 . . 2 . . . . 35 S HB3 . 25120 1 344 . 1 1 35 35 SER C C 13 172.060 . . 1 . . . . 35 S C . 25120 1 345 . 1 1 35 35 SER CA C 13 57.212 . . 1 . . . . 35 S CA . 25120 1 346 . 1 1 35 35 SER CB C 13 65.895 . . 1 . . . . 35 S CB . 25120 1 347 . 1 1 35 35 SER N N 15 113.153 . . 1 . . . . 35 S N . 25120 1 348 . 1 1 36 36 ILE H H 1 8.730 . . 1 . . . . 36 I HN . 25120 1 349 . 1 1 36 36 ILE HA H 1 3.862 . . 1 . . . . 36 I HA . 25120 1 350 . 1 1 36 36 ILE HB H 1 1.821 . . 1 . . . . 36 I HB . 25120 1 351 . 1 1 36 36 ILE HG12 H 1 1.389 . . 2 . . . . 36 I HG12 . 25120 1 352 . 1 1 36 36 ILE HG21 H 1 0.715 . . 1 . . . . 36 I HG21 . 25120 1 353 . 1 1 36 36 ILE HG22 H 1 0.715 . . 1 . . . . 36 I HG22 . 25120 1 354 . 1 1 36 36 ILE HG23 H 1 0.715 . . 1 . . . . 36 I HG23 . 25120 1 355 . 1 1 36 36 ILE HD11 H 1 0.334 . . 1 . . . . 36 I HD11 . 25120 1 356 . 1 1 36 36 ILE HD12 H 1 0.334 . . 1 . . . . 36 I HD12 . 25120 1 357 . 1 1 36 36 ILE HD13 H 1 0.334 . . 1 . . . . 36 I HD13 . 25120 1 358 . 1 1 36 36 ILE CA C 13 62.410 . . 1 . . . . 36 I CA . 25120 1 359 . 1 1 36 36 ILE CB C 13 39.997 . . 1 . . . . 36 I CB . 25120 1 360 . 1 1 36 36 ILE CG1 C 13 27.839 . . 1 . . . . 36 I CG1 . 25120 1 361 . 1 1 36 36 ILE CG2 C 13 17.712 . . 1 . . . . 36 I CG2 . 25120 1 362 . 1 1 36 36 ILE CD1 C 13 14.632 . . 1 . . . . 36 I CD1 . 25120 1 363 . 1 1 36 36 ILE N N 15 119.142 . . 1 . . . . 36 I N . 25120 1 364 . 1 1 37 37 SER HA H 1 5.049 . . 1 . . . . 37 S HA . 25120 1 365 . 1 1 37 37 SER C C 13 0.000 . . 1 . . . . 37 S C . 25120 1 366 . 1 1 37 37 SER CA C 13 57.238 . . 1 . . . . 37 S CA . 25120 1 367 . 1 1 38 38 THR H H 1 8.768 . . 9 . . . . 38 T HN . 25120 1 368 . 1 1 38 38 THR HA H 1 3.751 . . 1 . . . . 38 T HA . 25120 1 369 . 1 1 38 38 THR HB H 1 4.249 . . 1 . . . . 38 T HB . 25120 1 370 . 1 1 38 38 THR HG21 H 1 1.255 . . 1 . . . . 38 T HG21 . 25120 1 371 . 1 1 38 38 THR HG22 H 1 1.255 . . 1 . . . . 38 T HG22 . 25120 1 372 . 1 1 38 38 THR HG23 H 1 1.255 . . 1 . . . . 38 T HG23 . 25120 1 373 . 1 1 38 38 THR C C 13 177.039 . . 1 . . . . 38 T C . 25120 1 374 . 1 1 38 38 THR CA C 13 66.168 . . 1 . . . . 38 T CA . 25120 1 375 . 1 1 38 38 THR CB C 13 67.909 . . 1 . . . . 38 T CB . 25120 1 376 . 1 1 38 38 THR CG2 C 13 22.818 . . 1 . . . . 38 T CG2 . 25120 1 377 . 1 1 38 38 THR N N 15 112.122 . . 1 . . . . 38 T N . 25120 1 378 . 1 1 39 39 LYS H H 1 8.015 . . 1 . . . . 39 K HN . 25120 1 379 . 1 1 39 39 LYS HA H 1 4.086 . . 1 . . . . 39 K HA . 25120 1 380 . 1 1 39 39 LYS HB2 H 1 1.818 . . 2 . . . . 39 K HB2 . 25120 1 381 . 1 1 39 39 LYS HG2 H 1 1.475 . . 2 . . . . 39 K HG2 . 25120 1 382 . 1 1 39 39 LYS C C 13 178.762 . . 1 . . . . 39 K C . 25120 1 383 . 1 1 39 39 LYS CA C 13 58.943 . . 1 . . . . 39 K CA . 25120 1 384 . 1 1 39 39 LYS CB C 13 32.268 . . 1 . . . . 39 K CB . 25120 1 385 . 1 1 39 39 LYS CG C 13 24.856 . . 1 . . . . 39 K CG . 25120 1 386 . 1 1 39 39 LYS N N 15 122.795 . . 1 . . . . 39 K N . 25120 1 387 . 1 1 40 40 GLU H H 1 7.685 . . 1 . . . . 40 E HN . 25120 1 388 . 1 1 40 40 GLU HA H 1 4.160 . . 1 . . . . 40 E HA . 25120 1 389 . 1 1 40 40 GLU HB2 H 1 1.701 . . 2 . . . . 40 E HB2 . 25120 1 390 . 1 1 40 40 GLU HG2 H 1 2.302 . . 2 . . . . 40 E HG2 . 25120 1 391 . 1 1 40 40 GLU C C 13 178.621 . . 1 . . . . 40 E C . 25120 1 392 . 1 1 40 40 GLU CA C 13 59.860 . . 1 . . . . 40 E CA . 25120 1 393 . 1 1 40 40 GLU CB C 13 29.293 . . 1 . . . . 40 E CB . 25120 1 394 . 1 1 40 40 GLU CG C 13 36.405 . . 1 . . . . 40 E CG . 25120 1 395 . 1 1 40 40 GLU N N 15 119.224 . . 1 . . . . 40 E N . 25120 1 396 . 1 1 41 41 LEU H H 1 8.227 . . 1 . . . . 41 L HN . 25120 1 397 . 1 1 41 41 LEU HA H 1 4.148 . . 1 . . . . 41 L HA . 25120 1 398 . 1 1 41 41 LEU HB2 H 1 1.682 . . 2 . . . . 41 L HB2 . 25120 1 399 . 1 1 41 41 LEU HB3 H 1 1.406 . . 2 . . . . 41 L HB3 . 25120 1 400 . 1 1 41 41 LEU HG H 1 1.857 . . 1 . . . . 41 L HG . 25120 1 401 . 1 1 41 41 LEU HD11 H 1 0.786 . . 2 . . . . 41 L HD11 . 25120 1 402 . 1 1 41 41 LEU HD12 H 1 0.786 . . 2 . . . . 41 L HD12 . 25120 1 403 . 1 1 41 41 LEU HD13 H 1 0.786 . . 2 . . . . 41 L HD13 . 25120 1 404 . 1 1 41 41 LEU HD21 H 1 0.867 . . 2 . . . . 41 L HD21 . 25120 1 405 . 1 1 41 41 LEU HD22 H 1 0.867 . . 2 . . . . 41 L HD22 . 25120 1 406 . 1 1 41 41 LEU HD23 H 1 0.867 . . 2 . . . . 41 L HD23 . 25120 1 407 . 1 1 41 41 LEU C C 13 178.520 . . 1 . . . . 41 L C . 25120 1 408 . 1 1 41 41 LEU CA C 13 57.786 . . 1 . . . . 41 L CA . 25120 1 409 . 1 1 41 41 LEU CB C 13 42.616 . . 1 . . . . 41 L CB . 25120 1 410 . 1 1 41 41 LEU CG C 13 27.592 . . 1 . . . . 41 L CG . 25120 1 411 . 1 1 41 41 LEU CD1 C 13 24.139 . . 2 . . . . 41 L CD1 . 25120 1 412 . 1 1 41 41 LEU CD2 C 13 25.370 . . 2 . . . . 41 L CD2 . 25120 1 413 . 1 1 41 41 LEU N N 15 119.174 . . 1 . . . . 41 L N . 25120 1 414 . 1 1 42 42 GLY H H 1 8.491 . . 1 . . . . 42 G HN . 25120 1 415 . 1 1 42 42 GLY HA2 H 1 3.556 . . 2 . . . . 42 G HA2 . 25120 1 416 . 1 1 42 42 GLY HA3 H 1 3.935 . . 2 . . . . 42 G HA3 . 25120 1 417 . 1 1 42 42 GLY C C 13 175.123 . . 1 . . . . 42 G C . 25120 1 418 . 1 1 42 42 GLY CA C 13 47.886 . . 1 . . . . 42 G CA . 25120 1 419 . 1 1 42 42 GLY N N 15 105.915 . . 1 . . . . 42 G N . 25120 1 420 . 1 1 43 43 LYS H H 1 7.307 . . 1 . . . . 43 K HN . 25120 1 421 . 1 1 43 43 LYS HA H 1 4.002 . . 1 . . . . 43 K HA . 25120 1 422 . 1 1 43 43 LYS HB2 H 1 1.978 . . 2 . . . . 43 K HB2 . 25120 1 423 . 1 1 43 43 LYS HG2 H 1 1.616 . . 2 . . . . 43 K HG2 . 25120 1 424 . 1 1 43 43 LYS HG3 H 1 1.408 . . 2 . . . . 43 K HG3 . 25120 1 425 . 1 1 43 43 LYS HD2 H 1 1.782 . . 2 . . . . 43 K HD2 . 25120 1 426 . 1 1 43 43 LYS HE2 H 1 3.006 . . 2 . . . . 43 K HE2 . 25120 1 427 . 1 1 43 43 LYS C C 13 179.323 . . 1 . . . . 43 K C . 25120 1 428 . 1 1 43 43 LYS CA C 13 59.878 . . 1 . . . . 43 K CA . 25120 1 429 . 1 1 43 43 LYS CB C 13 32.402 . . 1 . . . . 43 K CB . 25120 1 430 . 1 1 43 43 LYS CG C 13 25.162 . . 1 . . . . 43 K CG . 25120 1 431 . 1 1 43 43 LYS CD C 13 29.480 . . 1 . . . . 43 K CD . 25120 1 432 . 1 1 43 43 LYS CE C 13 41.845 . . 1 . . . . 43 K CE . 25120 1 433 . 1 1 43 43 LYS N N 15 120.881 . . 1 . . . . 43 K N . 25120 1 434 . 1 1 44 44 VAL H H 1 7.539 . . 1 . . . . 44 V HN . 25120 1 435 . 1 1 44 44 VAL HA H 1 3.597 . . 1 . . . . 44 V HA . 25120 1 436 . 1 1 44 44 VAL HB H 1 1.945 . . 1 . . . . 44 V HB . 25120 1 437 . 1 1 44 44 VAL HG11 H 1 0.658 . . 2 . . . . 44 V HG11 . 25120 1 438 . 1 1 44 44 VAL HG12 H 1 0.658 . . 2 . . . . 44 V HG12 . 25120 1 439 . 1 1 44 44 VAL HG13 H 1 0.658 . . 2 . . . . 44 V HG13 . 25120 1 440 . 1 1 44 44 VAL HG21 H 1 0.506 . . 2 . . . . 44 V HG21 . 25120 1 441 . 1 1 44 44 VAL HG22 H 1 0.506 . . 2 . . . . 44 V HG22 . 25120 1 442 . 1 1 44 44 VAL HG23 H 1 0.506 . . 2 . . . . 44 V HG23 . 25120 1 443 . 1 1 44 44 VAL C C 13 177.639 . . 1 . . . . 44 V C . 25120 1 444 . 1 1 44 44 VAL CA C 13 66.040 . . 1 . . . . 44 V CA . 25120 1 445 . 1 1 44 44 VAL CB C 13 31.643 . . 1 . . . . 44 V CB . 25120 1 446 . 1 1 44 44 VAL CG1 C 13 21.119 . . 2 . . . . 44 V CG1 . 25120 1 447 . 1 1 44 44 VAL CG2 C 13 22.578 . . 2 . . . . 44 V CG2 . 25120 1 448 . 1 1 44 44 VAL N N 15 119.401 . . 1 . . . . 44 V N . 25120 1 449 . 1 1 45 45 MET H H 1 8.377 . . 1 . . . . 45 M HN . 25120 1 450 . 1 1 45 45 MET HA H 1 4.195 . . 1 . . . . 45 M HA . 25120 1 451 . 1 1 45 45 MET HB2 H 1 2.111 . . 2 . . . . 45 M HB2 . 25120 1 452 . 1 1 45 45 MET HG2 H 1 2.537 . . 2 . . . . 45 M HG2 . 25120 1 453 . 1 1 45 45 MET HG3 H 1 2.571 . . 2 . . . . 45 M HG3 . 25120 1 454 . 1 1 45 45 MET HE1 H 1 1.874 . . 1 . . . . 45 M HE1 . 25120 1 455 . 1 1 45 45 MET HE2 H 1 1.874 . . 1 . . . . 45 M HE2 . 25120 1 456 . 1 1 45 45 MET HE3 H 1 1.874 . . 1 . . . . 45 M HE3 . 25120 1 457 . 1 1 45 45 MET C C 13 179.077 . . 1 . . . . 45 M C . 25120 1 458 . 1 1 45 45 MET CA C 13 58.361 . . 1 . . . . 45 M CA . 25120 1 459 . 1 1 45 45 MET CB C 13 30.920 . . 1 . . . . 45 M CB . 25120 1 460 . 1 1 45 45 MET CG C 13 33.263 . . 1 . . . . 45 M CG . 25120 1 461 . 1 1 45 45 MET CE C 13 17.545 . . 1 . . . . 45 M CE . 25120 1 462 . 1 1 45 45 MET N N 15 116.712 . . 1 . . . . 45 M N . 25120 1 463 . 1 1 46 46 ARG H H 1 8.061 . . 1 . . . . 46 R HN . 25120 1 464 . 1 1 46 46 ARG HA H 1 4.656 . . 1 . . . . 46 R HA . 25120 1 465 . 1 1 46 46 ARG HB2 H 1 1.970 . . 2 . . . . 46 R HB2 . 25120 1 466 . 1 1 46 46 ARG HB3 H 1 1.928 . . 2 . . . . 46 R HB3 . 25120 1 467 . 1 1 46 46 ARG HG2 H 1 1.797 . . 2 . . . . 46 R HG2 . 25120 1 468 . 1 1 46 46 ARG HG3 H 1 1.930 . . 2 . . . . 46 R HG3 . 25120 1 469 . 1 1 46 46 ARG HD2 H 1 3.297 . . 2 . . . . 46 R HD2 . 25120 1 470 . 1 1 46 46 ARG HD3 H 1 3.199 . . 2 . . . . 46 R HD3 . 25120 1 471 . 1 1 46 46 ARG HE H 1 7.249 . . 1 . . . . 46 R HE . 25120 1 472 . 1 1 46 46 ARG C C 13 181.366 . . 1 . . . . 46 R C . 25120 1 473 . 1 1 46 46 ARG CA C 13 59.420 . . 1 . . . . 46 R CA . 25120 1 474 . 1 1 46 46 ARG CB C 13 29.907 . . 1 . . . . 46 R CB . 25120 1 475 . 1 1 46 46 ARG CG C 13 28.468 . . 1 . . . . 46 R CG . 25120 1 476 . 1 1 46 46 ARG CD C 13 43.343 . . 1 . . . . 46 R CD . 25120 1 477 . 1 1 46 46 ARG N N 15 118.752 . . 1 . . . . 46 R N . 25120 1 478 . 1 1 46 46 ARG NH2 N 15 73.139 . . 2 . . . . 46 R NH2 . 25120 1 479 . 1 1 47 47 MET H H 1 7.858 . . 1 . . . . 47 M HN . 25120 1 480 . 1 1 47 47 MET HA H 1 4.242 . . 1 . . . . 47 M HA . 25120 1 481 . 1 1 47 47 MET HB2 H 1 2.345 . . 2 . . . . 47 M HB2 . 25120 1 482 . 1 1 47 47 MET HB3 H 1 1.922 . . 2 . . . . 47 M HB3 . 25120 1 483 . 1 1 47 47 MET HG2 H 1 2.831 . . 2 . . . . 47 M HG2 . 25120 1 484 . 1 1 47 47 MET HG3 H 1 2.682 . . 2 . . . . 47 M HG3 . 25120 1 485 . 1 1 47 47 MET HE1 H 1 2.132 . . 1 . . . . 47 M HE1 . 25120 1 486 . 1 1 47 47 MET HE2 H 1 2.132 . . 1 . . . . 47 M HE2 . 25120 1 487 . 1 1 47 47 MET HE3 H 1 2.132 . . 1 . . . . 47 M HE3 . 25120 1 488 . 1 1 47 47 MET C C 13 177.549 . . 1 . . . . 47 M C . 25120 1 489 . 1 1 47 47 MET CA C 13 58.858 . . 1 . . . . 47 M CA . 25120 1 490 . 1 1 47 47 MET CB C 13 32.400 . . 1 . . . . 47 M CB . 25120 1 491 . 1 1 47 47 MET CG C 13 32.188 . . 1 . . . . 47 M CG . 25120 1 492 . 1 1 47 47 MET CE C 13 16.932 . . 1 . . . . 47 M CE . 25120 1 493 . 1 1 47 47 MET N N 15 122.111 . . 1 . . . . 47 M N . 25120 1 494 . 1 1 48 48 LEU H H 1 7.515 . . 1 . . . . 48 L HN . 25120 1 495 . 1 1 48 48 LEU HA H 1 4.430 . . 1 . . . . 48 L HA . 25120 1 496 . 1 1 48 48 LEU HB2 H 1 1.939 . . 2 . . . . 48 L HB2 . 25120 1 497 . 1 1 48 48 LEU HB3 H 1 1.862 . . 2 . . . . 48 L HB3 . 25120 1 498 . 1 1 48 48 LEU HG H 1 1.939 . . 1 . . . . 48 L HG . 25120 1 499 . 1 1 48 48 LEU HD11 H 1 0.889 . . 2 . . . . 48 L HD11 . 25120 1 500 . 1 1 48 48 LEU HD12 H 1 0.889 . . 2 . . . . 48 L HD12 . 25120 1 501 . 1 1 48 48 LEU HD13 H 1 0.889 . . 2 . . . . 48 L HD13 . 25120 1 502 . 1 1 48 48 LEU HD21 H 1 0.932 . . 2 . . . . 48 L HD21 . 25120 1 503 . 1 1 48 48 LEU HD22 H 1 0.932 . . 2 . . . . 48 L HD22 . 25120 1 504 . 1 1 48 48 LEU HD23 H 1 0.932 . . 2 . . . . 48 L HD23 . 25120 1 505 . 1 1 48 48 LEU C C 13 177.213 . . 1 . . . . 48 L C . 25120 1 506 . 1 1 48 48 LEU CA C 13 54.529 . . 1 . . . . 48 L CA . 25120 1 507 . 1 1 48 48 LEU CB C 13 41.839 . . 1 . . . . 48 L CB . 25120 1 508 . 1 1 48 48 LEU CG C 13 26.471 . . 1 . . . . 48 L CG . 25120 1 509 . 1 1 48 48 LEU CD1 C 13 23.117 . . 2 . . . . 48 L CD1 . 25120 1 510 . 1 1 48 48 LEU CD2 C 13 26.224 . . 2 . . . . 48 L CD2 . 25120 1 511 . 1 1 48 48 LEU N N 15 117.552 . . 1 . . . . 48 L N . 25120 1 512 . 1 1 49 49 GLY H H 1 7.849 . . 1 . . . . 49 G HN . 25120 1 513 . 1 1 49 49 GLY HA2 H 1 3.812 . . 2 . . . . 49 G HA2 . 25120 1 514 . 1 1 49 49 GLY HA3 H 1 4.245 . . 2 . . . . 49 G HA3 . 25120 1 515 . 1 1 49 49 GLY C C 13 174.350 . . 1 . . . . 49 G C . 25120 1 516 . 1 1 49 49 GLY CA C 13 45.716 . . 1 . . . . 49 G CA . 25120 1 517 . 1 1 49 49 GLY N N 15 107.258 . . 1 . . . . 49 G N . 25120 1 518 . 1 1 50 50 GLN H H 1 8.003 . . 1 . . . . 50 Q HN . 25120 1 519 . 1 1 50 50 GLN HA H 1 4.523 . . 1 . . . . 50 Q HA . 25120 1 520 . 1 1 50 50 GLN HB2 H 1 1.658 . . 2 . . . . 50 Q HB2 . 25120 1 521 . 1 1 50 50 GLN HG2 H 1 2.199 . . 2 . . . . 50 Q HG2 . 25120 1 522 . 1 1 50 50 GLN HE21 H 1 7.246 . . 2 . . . . 50 Q HE21 . 25120 1 523 . 1 1 50 50 GLN HE22 H 1 6.766 . . 2 . . . . 50 Q HE22 . 25120 1 524 . 1 1 50 50 GLN C C 13 174.096 . . 1 . . . . 50 Q C . 25120 1 525 . 1 1 50 50 GLN CA C 13 54.177 . . 1 . . . . 50 Q CA . 25120 1 526 . 1 1 50 50 GLN CB C 13 31.065 . . 1 . . . . 50 Q CB . 25120 1 527 . 1 1 50 50 GLN CG C 13 33.651 . . 1 . . . . 50 Q CG . 25120 1 528 . 1 1 50 50 GLN N N 15 118.223 . . 1 . . . . 50 Q N . 25120 1 529 . 1 1 50 50 GLN NE2 N 15 111.695 . . 1 . . . . 50 Q NE2 . 25120 1 530 . 1 1 51 51 ASN H H 1 8.640 . . 1 . . . . 51 N HN . 25120 1 531 . 1 1 51 51 ASN HA H 1 5.140 . . 1 . . . . 51 N HA . 25120 1 532 . 1 1 51 51 ASN HB2 H 1 2.782 . . 2 . . . . 51 N HB2 . 25120 1 533 . 1 1 51 51 ASN HB3 H 1 2.531 . . 2 . . . . 51 N HB3 . 25120 1 534 . 1 1 51 51 ASN HD21 H 1 7.453 . . 2 . . . . 51 N HD21 . 25120 1 535 . 1 1 51 51 ASN HD22 H 1 6.697 . . 2 . . . . 51 N HD22 . 25120 1 536 . 1 1 51 51 ASN CA C 13 51.168 . . 1 . . . . 51 N CA . 25120 1 537 . 1 1 51 51 ASN CB C 13 39.228 . . 1 . . . . 51 N CB . 25120 1 538 . 1 1 51 51 ASN N N 15 116.680 . . 1 . . . . 51 N N . 25120 1 539 . 1 1 51 51 ASN ND2 N 15 111.912 . . 1 . . . . 51 N ND2 . 25120 1 540 . 1 1 52 52 PRO HA H 1 4.771 . . 1 . . . . 52 P HA . 25120 1 541 . 1 1 52 52 PRO HB2 H 1 1.938 . . 2 . . . . 52 P HB2 . 25120 1 542 . 1 1 52 52 PRO HB3 H 1 2.213 . . 2 . . . . 52 P HB3 . 25120 1 543 . 1 1 52 52 PRO HG2 H 1 1.922 . . 2 . . . . 52 P HG2 . 25120 1 544 . 1 1 52 52 PRO HG3 H 1 1.848 . . 2 . . . . 52 P HG3 . 25120 1 545 . 1 1 52 52 PRO HD2 H 1 3.609 . . 2 . . . . 52 P HD2 . 25120 1 546 . 1 1 52 52 PRO HD3 H 1 3.326 . . 2 . . . . 52 P HD3 . 25120 1 547 . 1 1 52 52 PRO C C 13 177.111 . . 1 . . . . 52 P C . 25120 1 548 . 1 1 52 52 PRO CA C 13 62.312 . . 1 . . . . 52 P CA . 25120 1 549 . 1 1 52 52 PRO CB C 13 31.882 . . 1 . . . . 52 P CB . 25120 1 550 . 1 1 52 52 PRO CG C 13 27.604 . . 1 . . . . 52 P CG . 25120 1 551 . 1 1 52 52 PRO CD C 13 49.876 . . 1 . . . . 52 P CD . 25120 1 552 . 1 1 53 53 THR H H 1 8.870 . . 1 . . . . 53 T HN . 25120 1 553 . 1 1 53 53 THR HA H 1 4.442 . . 1 . . . . 53 T HA . 25120 1 554 . 1 1 53 53 THR HB H 1 4.798 . . 1 . . . . 53 T HB . 25120 1 555 . 1 1 53 53 THR HG21 H 1 1.379 . . 1 . . . . 53 T HG21 . 25120 1 556 . 1 1 53 53 THR HG22 H 1 1.379 . . 1 . . . . 53 T HG22 . 25120 1 557 . 1 1 53 53 THR HG23 H 1 1.379 . . 1 . . . . 53 T HG23 . 25120 1 558 . 1 1 53 53 THR C C 13 173.625 . . 1 . . . . 53 T C . 25120 1 559 . 1 1 53 53 THR CA C 13 60.617 . . 1 . . . . 53 T CA . 25120 1 560 . 1 1 53 53 THR CB C 13 68.166 . . 1 . . . . 53 T CB . 25120 1 561 . 1 1 53 53 THR CG2 C 13 22.043 . . 1 . . . . 53 T CG2 . 25120 1 562 . 1 1 53 53 THR N N 15 113.857 . . 1 . . . . 53 T N . 25120 1 563 . 1 1 54 54 PRO HA H 1 4.188 . . 1 . . . . 54 P HA . 25120 1 564 . 1 1 54 54 PRO HB2 H 1 1.935 . . 2 . . . . 54 P HB2 . 25120 1 565 . 1 1 54 54 PRO HB3 H 1 2.439 . . 2 . . . . 54 P HB3 . 25120 1 566 . 1 1 54 54 PRO HG2 H 1 2.261 . . 2 . . . . 54 P HG2 . 25120 1 567 . 1 1 54 54 PRO HG3 H 1 2.031 . . 2 . . . . 54 P HG3 . 25120 1 568 . 1 1 54 54 PRO HD2 H 1 3.937 . . 2 . . . . 54 P HD2 . 25120 1 569 . 1 1 54 54 PRO C C 13 179.503 . . 1 . . . . 54 P C . 25120 1 570 . 1 1 54 54 PRO CA C 13 66.148 . . 1 . . . . 54 P CA . 25120 1 571 . 1 1 54 54 PRO CB C 13 31.783 . . 1 . . . . 54 P CB . 25120 1 572 . 1 1 54 54 PRO CG C 13 28.079 . . 1 . . . . 54 P CG . 25120 1 573 . 1 1 54 54 PRO CD C 13 50.221 . . 1 . . . . 54 P CD . 25120 1 574 . 1 1 55 55 GLU H H 1 8.714 . . 1 . . . . 55 E HN . 25120 1 575 . 1 1 55 55 GLU HA H 1 4.032 . . 1 . . . . 55 E HA . 25120 1 576 . 1 1 55 55 GLU HB2 H 1 2.020 . . 2 . . . . 55 E HB2 . 25120 1 577 . 1 1 55 55 GLU HG2 H 1 2.346 . . 2 . . . . 55 E HG2 . 25120 1 578 . 1 1 55 55 GLU C C 13 179.362 . . 1 . . . . 55 E C . 25120 1 579 . 1 1 55 55 GLU CA C 13 60.451 . . 1 . . . . 55 E CA . 25120 1 580 . 1 1 55 55 GLU CB C 13 28.838 . . 1 . . . . 55 E CB . 25120 1 581 . 1 1 55 55 GLU CG C 13 36.893 . . 1 . . . . 55 E CG . 25120 1 582 . 1 1 55 55 GLU N N 15 117.123 . . 1 . . . . 55 E N . 25120 1 583 . 1 1 56 56 GLU H H 1 7.753 . . 1 . . . . 56 E HN . 25120 1 584 . 1 1 56 56 GLU HA H 1 3.989 . . 1 . . . . 56 E HA . 25120 1 585 . 1 1 56 56 GLU HB2 H 1 1.888 . . 2 . . . . 56 E HB2 . 25120 1 586 . 1 1 56 56 GLU HB3 H 1 2.025 . . 2 . . . . 56 E HB3 . 25120 1 587 . 1 1 56 56 GLU HG2 H 1 2.317 . . 2 . . . . 56 E HG2 . 25120 1 588 . 1 1 56 56 GLU C C 13 179.646 . . 1 . . . . 56 E C . 25120 1 589 . 1 1 56 56 GLU CA C 13 59.127 . . 1 . . . . 56 E CA . 25120 1 590 . 1 1 56 56 GLU CB C 13 28.960 . . 1 . . . . 56 E CB . 25120 1 591 . 1 1 56 56 GLU CG C 13 37.435 . . 1 . . . . 56 E CG . 25120 1 592 . 1 1 56 56 GLU N N 15 121.370 . . 1 . . . . 56 E N . 25120 1 593 . 1 1 57 57 LEU H H 1 8.155 . . 1 . . . . 57 L HN . 25120 1 594 . 1 1 57 57 LEU HA H 1 4.042 . . 1 . . . . 57 L HA . 25120 1 595 . 1 1 57 57 LEU HB2 H 1 1.825 . . 2 . . . . 57 L HB2 . 25120 1 596 . 1 1 57 57 LEU C C 13 178.761 . . 1 . . . . 57 L C . 25120 1 597 . 1 1 57 57 LEU CA C 13 57.793 . . 1 . . . . 57 L CA . 25120 1 598 . 1 1 57 57 LEU CB C 13 41.492 . . 1 . . . . 57 L CB . 25120 1 599 . 1 1 57 57 LEU N N 15 118.929 . . 1 . . . . 57 L N . 25120 1 600 . 1 1 58 58 GLN H H 1 7.976 . . 1 . . . . 58 Q HN . 25120 1 601 . 1 1 58 58 GLN HA H 1 3.756 . . 1 . . . . 58 Q HA . 25120 1 602 . 1 1 58 58 GLN HB2 H 1 2.131 . . 2 . . . . 58 Q HB2 . 25120 1 603 . 1 1 58 58 GLN HG2 H 1 2.466 . . 2 . . . . 58 Q HG2 . 25120 1 604 . 1 1 58 58 GLN HG3 H 1 2.385 . . 2 . . . . 58 Q HG3 . 25120 1 605 . 1 1 58 58 GLN HE21 H 1 6.569 . . 2 . . . . 58 Q HE21 . 25120 1 606 . 1 1 58 58 GLN HE22 H 1 7.919 . . 2 . . . . 58 Q HE22 . 25120 1 607 . 1 1 58 58 GLN C C 13 177.702 . . 1 . . . . 58 Q C . 25120 1 608 . 1 1 58 58 GLN CA C 13 58.252 . . 1 . . . . 58 Q CA . 25120 1 609 . 1 1 58 58 GLN CB C 13 28.447 . . 1 . . . . 58 Q CB . 25120 1 610 . 1 1 58 58 GLN CG C 13 33.595 . . 1 . . . . 58 Q CG . 25120 1 611 . 1 1 58 58 GLN N N 15 117.761 . . 1 . . . . 58 Q N . 25120 1 612 . 1 1 58 58 GLN NE2 N 15 114.427 . . 1 . . . . 58 Q NE2 . 25120 1 613 . 1 1 59 59 GLU H H 1 7.866 . . 1 . . . . 59 E HN . 25120 1 614 . 1 1 59 59 GLU HA H 1 4.046 . . 1 . . . . 59 E HA . 25120 1 615 . 1 1 59 59 GLU HB2 H 1 2.112 . . 2 . . . . 59 E HB2 . 25120 1 616 . 1 1 59 59 GLU HG2 H 1 2.449 . . 2 . . . . 59 E HG2 . 25120 1 617 . 1 1 59 59 GLU C C 13 178.630 . . 1 . . . . 59 E C . 25120 1 618 . 1 1 59 59 GLU CA C 13 59.541 . . 1 . . . . 59 E CA . 25120 1 619 . 1 1 59 59 GLU CB C 13 29.336 . . 1 . . . . 59 E CB . 25120 1 620 . 1 1 59 59 GLU CG C 13 36.119 . . 1 . . . . 59 E CG . 25120 1 621 . 1 1 59 59 GLU N N 15 118.924 . . 1 . . . . 59 E N . 25120 1 622 . 1 1 60 60 MET H H 1 7.671 . . 1 . . . . 60 M HN . 25120 1 623 . 1 1 60 60 MET HA H 1 4.176 . . 1 . . . . 60 M HA . 25120 1 624 . 1 1 60 60 MET HB2 H 1 2.212 . . 2 . . . . 60 M HB2 . 25120 1 625 . 1 1 60 60 MET HB3 H 1 1.939 . . 2 . . . . 60 M HB3 . 25120 1 626 . 1 1 60 60 MET HG2 H 1 2.756 . . 2 . . . . 60 M HG2 . 25120 1 627 . 1 1 60 60 MET HG3 H 1 2.475 . . 2 . . . . 60 M HG3 . 25120 1 628 . 1 1 60 60 MET C C 13 178.527 . . 1 . . . . 60 M C . 25120 1 629 . 1 1 60 60 MET CA C 13 59.391 . . 1 . . . . 60 M CA . 25120 1 630 . 1 1 60 60 MET CB C 13 33.710 . . 1 . . . . 60 M CB . 25120 1 631 . 1 1 60 60 MET CG C 13 32.662 . . 1 . . . . 60 M CG . 25120 1 632 . 1 1 60 60 MET N N 15 117.407 . . 1 . . . . 60 M N . 25120 1 633 . 1 1 61 61 ILE H H 1 7.365 . . 1 . . . . 61 I HN . 25120 1 634 . 1 1 61 61 ILE HA H 1 3.378 . . 1 . . . . 61 I HA . 25120 1 635 . 1 1 61 61 ILE HB H 1 1.936 . . 1 . . . . 61 I HB . 25120 1 636 . 1 1 61 61 ILE HG12 H 1 1.223 . . 2 . . . . 61 I HG12 . 25120 1 637 . 1 1 61 61 ILE HG13 H 1 1.692 . . 2 . . . . 61 I HG13 . 25120 1 638 . 1 1 61 61 ILE HG21 H 1 0.735 . . 1 . . . . 61 I HG21 . 25120 1 639 . 1 1 61 61 ILE HG22 H 1 0.735 . . 1 . . . . 61 I HG22 . 25120 1 640 . 1 1 61 61 ILE HG23 H 1 0.735 . . 1 . . . . 61 I HG23 . 25120 1 641 . 1 1 61 61 ILE HD11 H 1 0.724 . . 1 . . . . 61 I HD11 . 25120 1 642 . 1 1 61 61 ILE HD12 H 1 0.724 . . 1 . . . . 61 I HD12 . 25120 1 643 . 1 1 61 61 ILE HD13 H 1 0.724 . . 1 . . . . 61 I HD13 . 25120 1 644 . 1 1 61 61 ILE C C 13 177.497 . . 1 . . . . 61 I C . 25120 1 645 . 1 1 61 61 ILE CA C 13 64.900 . . 1 . . . . 61 I CA . 25120 1 646 . 1 1 61 61 ILE CB C 13 37.630 . . 1 . . . . 61 I CB . 25120 1 647 . 1 1 61 61 ILE CG1 C 13 28.631 . . 1 . . . . 61 I CG1 . 25120 1 648 . 1 1 61 61 ILE CG2 C 13 16.114 . . 1 . . . . 61 I CG2 . 25120 1 649 . 1 1 61 61 ILE CD1 C 13 13.326 . . 1 . . . . 61 I CD1 . 25120 1 650 . 1 1 61 61 ILE N N 15 118.186 . . 1 . . . . 61 I N . 25120 1 651 . 1 1 62 62 ASP H H 1 8.640 . . 1 . . . . 62 D HN . 25120 1 652 . 1 1 62 62 ASP HA H 1 4.305 . . 1 . . . . 62 D HA . 25120 1 653 . 1 1 62 62 ASP HB2 H 1 2.724 . . 2 . . . . 62 D HB2 . 25120 1 654 . 1 1 62 62 ASP C C 13 178.389 . . 1 . . . . 62 D C . 25120 1 655 . 1 1 62 62 ASP CA C 13 57.584 . . 1 . . . . 62 D CA . 25120 1 656 . 1 1 62 62 ASP CB C 13 40.531 . . 1 . . . . 62 D CB . 25120 1 657 . 1 1 62 62 ASP N N 15 119.280 . . 1 . . . . 62 D N . 25120 1 658 . 1 1 63 63 GLU H H 1 7.535 . . 1 . . . . 63 E HN . 25120 1 659 . 1 1 63 63 GLU HA H 1 4.073 . . 1 . . . . 63 E HA . 25120 1 660 . 1 1 63 63 GLU HB2 H 1 2.054 . . 2 . . . . 63 E HB2 . 25120 1 661 . 1 1 63 63 GLU HG2 H 1 2.496 . . 2 . . . . 63 E HG2 . 25120 1 662 . 1 1 63 63 GLU HG3 H 1 2.310 . . 2 . . . . 63 E HG3 . 25120 1 663 . 1 1 63 63 GLU C C 13 177.731 . . 1 . . . . 63 E C . 25120 1 664 . 1 1 63 63 GLU CA C 13 58.658 . . 1 . . . . 63 E CA . 25120 1 665 . 1 1 63 63 GLU CB C 13 30.510 . . 1 . . . . 63 E CB . 25120 1 666 . 1 1 63 63 GLU CG C 13 36.312 . . 1 . . . . 63 E CG . 25120 1 667 . 1 1 63 63 GLU N N 15 115.698 . . 1 . . . . 63 E N . 25120 1 668 . 1 1 64 64 VAL HA H 1 4.453 . . 1 . . . . 64 V HA . 25120 1 669 . 1 1 64 64 VAL HB H 1 2.440 . . 1 . . . . 64 V HB . 25120 1 670 . 1 1 64 64 VAL HG11 H 1 0.907 . . 2 . . . . 64 V HG11 . 25120 1 671 . 1 1 64 64 VAL HG12 H 1 0.907 . . 2 . . . . 64 V HG12 . 25120 1 672 . 1 1 64 64 VAL HG13 H 1 0.907 . . 2 . . . . 64 V HG13 . 25120 1 673 . 1 1 64 64 VAL HG21 H 1 0.812 . . 2 . . . . 64 V HG21 . 25120 1 674 . 1 1 64 64 VAL HG22 H 1 0.812 . . 2 . . . . 64 V HG22 . 25120 1 675 . 1 1 64 64 VAL HG23 H 1 0.812 . . 2 . . . . 64 V HG23 . 25120 1 676 . 1 1 64 64 VAL CA C 13 61.370 . . 1 . . . . 64 V CA . 25120 1 677 . 1 1 64 64 VAL CB C 13 32.412 . . 1 . . . . 64 V CB . 25120 1 678 . 1 1 64 64 VAL CG1 C 13 20.222 . . 2 . . . . 64 V CG1 . 25120 1 679 . 1 1 64 64 VAL CG2 C 13 21.560 . . 2 . . . . 64 V CG2 . 25120 1 680 . 1 1 65 65 ASP HA H 1 4.667 . . 1 . . . . 65 D HA . 25120 1 681 . 1 1 65 65 ASP C C 13 176.907 . . 1 . . . . 65 D C . 25120 1 682 . 1 1 65 65 ASP CA C 13 53.494 . . 1 . . . . 65 D CA . 25120 1 683 . 1 1 66 66 GLU H H 1 8.583 . . 1 . . . . 66 E HN . 25120 1 684 . 1 1 66 66 GLU HA H 1 4.169 . . 1 . . . . 66 E HA . 25120 1 685 . 1 1 66 66 GLU HB2 H 1 2.116 . . 2 . . . . 66 E HB2 . 25120 1 686 . 1 1 66 66 GLU HG2 H 1 2.339 . . 2 . . . . 66 E HG2 . 25120 1 687 . 1 1 66 66 GLU C C 13 177.059 . . 1 . . . . 66 E C . 25120 1 688 . 1 1 66 66 GLU CA C 13 58.593 . . 1 . . . . 66 E CA . 25120 1 689 . 1 1 66 66 GLU CB C 13 30.688 . . 1 . . . . 66 E CB . 25120 1 690 . 1 1 66 66 GLU CG C 13 36.434 . . 1 . . . . 66 E CG . 25120 1 691 . 1 1 66 66 GLU N N 15 127.984 . . 1 . . . . 66 E N . 25120 1 692 . 1 1 67 67 ASP H H 1 8.002 . . 1 . . . . 67 D HN . 25120 1 693 . 1 1 67 67 ASP HA H 1 4.701 . . 1 . . . . 67 D HA . 25120 1 694 . 1 1 67 67 ASP HB2 H 1 2.749 . . 2 . . . . 67 D HB2 . 25120 1 695 . 1 1 67 67 ASP HB3 H 1 3.123 . . 2 . . . . 67 D HB3 . 25120 1 696 . 1 1 67 67 ASP C C 13 177.536 . . 1 . . . . 67 D C . 25120 1 697 . 1 1 67 67 ASP CA C 13 52.389 . . 1 . . . . 67 D CA . 25120 1 698 . 1 1 67 67 ASP CB C 13 40.315 . . 1 . . . . 67 D CB . 25120 1 699 . 1 1 67 67 ASP N N 15 114.528 . . 1 . . . . 67 D N . 25120 1 700 . 1 1 68 68 GLY H H 1 7.740 . . 1 . . . . 68 G HN . 25120 1 701 . 1 1 68 68 GLY HA2 H 1 3.814 . . 2 . . . . 68 G HA2 . 25120 1 702 . 1 1 68 68 GLY C C 13 175.196 . . 1 . . . . 68 G C . 25120 1 703 . 1 1 68 68 GLY CA C 13 47.046 . . 1 . . . . 68 G CA . 25120 1 704 . 1 1 68 68 GLY N N 15 108.822 . . 1 . . . . 68 G N . 25120 1 705 . 1 1 69 69 SER H H 1 8.452 . . 1 . . . . 69 S HN . 25120 1 706 . 1 1 69 69 SER HA H 1 4.226 . . 1 . . . . 69 S HA . 25120 1 707 . 1 1 69 69 SER HB2 H 1 3.966 . . 2 . . . . 69 S HB2 . 25120 1 708 . 1 1 69 69 SER C C 13 175.999 . . 1 . . . . 69 S C . 25120 1 709 . 1 1 69 69 SER CA C 13 60.209 . . 1 . . . . 69 S CA . 25120 1 710 . 1 1 69 69 SER CB C 13 64.729 . . 1 . . . . 69 S CB . 25120 1 711 . 1 1 69 69 SER N N 15 116.288 . . 1 . . . . 69 S N . 25120 1 712 . 1 1 70 70 GLY H H 1 10.780 . . 1 . . . . 70 G HN . 25120 1 713 . 1 1 70 70 GLY HA2 H 1 3.535 . . 2 . . . . 70 G HA2 . 25120 1 714 . 1 1 70 70 GLY HA3 H 1 4.209 . . 2 . . . . 70 G HA3 . 25120 1 715 . 1 1 70 70 GLY C C 13 172.665 . . 1 . . . . 70 G C . 25120 1 716 . 1 1 70 70 GLY CA C 13 45.789 . . 1 . . . . 70 G CA . 25120 1 717 . 1 1 70 70 GLY N N 15 116.293 . . 1 . . . . 70 G N . 25120 1 718 . 1 1 71 71 THR H H 1 7.657 . . 1 . . . . 71 T HN . 25120 1 719 . 1 1 71 71 THR HA H 1 4.953 . . 1 . . . . 71 T HA . 25120 1 720 . 1 1 71 71 THR HB H 1 3.941 . . 1 . . . . 71 T HB . 25120 1 721 . 1 1 71 71 THR HG21 H 1 1.074 . . 1 . . . . 71 T HG21 . 25120 1 722 . 1 1 71 71 THR HG22 H 1 1.074 . . 1 . . . . 71 T HG22 . 25120 1 723 . 1 1 71 71 THR HG23 H 1 1.074 . . 1 . . . . 71 T HG23 . 25120 1 724 . 1 1 71 71 THR C C 13 173.292 . . 1 . . . . 71 T C . 25120 1 725 . 1 1 71 71 THR CA C 13 58.205 . . 1 . . . . 71 T CA . 25120 1 726 . 1 1 71 71 THR CB C 13 73.343 . . 1 . . . . 71 T CB . 25120 1 727 . 1 1 71 71 THR CG2 C 13 22.355 . . 1 . . . . 71 T CG2 . 25120 1 728 . 1 1 71 71 THR N N 15 107.660 . . 1 . . . . 71 T N . 25120 1 729 . 1 1 72 72 VAL H H 1 9.723 . . 1 . . . . 72 V HN . 25120 1 730 . 1 1 72 72 VAL HA H 1 5.062 . . 1 . . . . 72 V HA . 25120 1 731 . 1 1 72 72 VAL HB H 1 2.186 . . 1 . . . . 72 V HB . 25120 1 732 . 1 1 72 72 VAL HG11 H 1 0.881 . . 2 . . . . 72 V HG11 . 25120 1 733 . 1 1 72 72 VAL HG12 H 1 0.881 . . 2 . . . . 72 V HG12 . 25120 1 734 . 1 1 72 72 VAL HG13 H 1 0.881 . . 2 . . . . 72 V HG13 . 25120 1 735 . 1 1 72 72 VAL HG21 H 1 1.217 . . 2 . . . . 72 V HG21 . 25120 1 736 . 1 1 72 72 VAL HG22 H 1 1.217 . . 2 . . . . 72 V HG22 . 25120 1 737 . 1 1 72 72 VAL HG23 H 1 1.217 . . 2 . . . . 72 V HG23 . 25120 1 738 . 1 1 72 72 VAL C C 13 175.207 . . 1 . . . . 72 V C . 25120 1 739 . 1 1 72 72 VAL CA C 13 61.320 . . 1 . . . . 72 V CA . 25120 1 740 . 1 1 72 72 VAL CB C 13 33.701 . . 1 . . . . 72 V CB . 25120 1 741 . 1 1 72 72 VAL CG1 C 13 22.814 . . 2 . . . . 72 V CG1 . 25120 1 742 . 1 1 72 72 VAL CG2 C 13 21.724 . . 2 . . . . 72 V CG2 . 25120 1 743 . 1 1 72 72 VAL N N 15 127.147 . . 1 . . . . 72 V N . 25120 1 744 . 1 1 73 73 ASP H H 1 8.824 . . 1 . . . . 73 D HN . 25120 1 745 . 1 1 73 73 ASP HA H 1 5.143 . . 1 . . . . 73 D HA . 25120 1 746 . 1 1 73 73 ASP HB2 H 1 2.705 . . 2 . . . . 73 D HB2 . 25120 1 747 . 1 1 73 73 ASP HB3 H 1 3.274 . . 2 . . . . 73 D HB3 . 25120 1 748 . 1 1 73 73 ASP C C 13 175.793 . . 1 . . . . 73 D C . 25120 1 749 . 1 1 73 73 ASP CA C 13 52.311 . . 1 . . . . 73 D CA . 25120 1 750 . 1 1 73 73 ASP CB C 13 41.444 . . 1 . . . . 73 D CB . 25120 1 751 . 1 1 73 73 ASP N N 15 128.722 . . 1 . . . . 73 D N . 25120 1 752 . 1 1 74 74 PHE H H 1 8.572 . . 1 . . . . 74 F HN . 25120 1 753 . 1 1 74 74 PHE HA H 1 3.409 . . 1 . . . . 74 F HA . 25120 1 754 . 1 1 74 74 PHE HB2 H 1 2.558 . . 2 . . . . 74 F HB2 . 25120 1 755 . 1 1 74 74 PHE HB3 H 1 2.301 . . 2 . . . . 74 F HB3 . 25120 1 756 . 1 1 74 74 PHE HD1 H 1 6.716 . . 3 . . . . 74 F HD1 . 25120 1 757 . 1 1 74 74 PHE C C 13 176.097 . . 1 . . . . 74 F C . 25120 1 758 . 1 1 74 74 PHE CA C 13 61.487 . . 1 . . . . 74 F CA . 25120 1 759 . 1 1 74 74 PHE CB C 13 38.550 . . 1 . . . . 74 F CB . 25120 1 760 . 1 1 74 74 PHE N N 15 118.362 . . 1 . . . . 74 F N . 25120 1 761 . 1 1 75 75 ASP H H 1 7.657 . . 1 . . . . 75 D HN . 25120 1 762 . 1 1 75 75 ASP HA H 1 3.977 . . 1 . . . . 75 D HA . 25120 1 763 . 1 1 75 75 ASP HB2 H 1 2.731 . . 2 . . . . 75 D HB2 . 25120 1 764 . 1 1 75 75 ASP HB3 H 1 2.644 . . 2 . . . . 75 D HB3 . 25120 1 765 . 1 1 75 75 ASP C C 13 179.488 . . 1 . . . . 75 D C . 25120 1 766 . 1 1 75 75 ASP CA C 13 58.046 . . 1 . . . . 75 D CA . 25120 1 767 . 1 1 75 75 ASP CB C 13 40.545 . . 1 . . . . 75 D CB . 25120 1 768 . 1 1 75 75 ASP N N 15 117.426 . . 1 . . . . 75 D N . 25120 1 769 . 1 1 76 76 GLU H H 1 8.182 . . 1 . . . . 76 E HN . 25120 1 770 . 1 1 76 76 GLU HA H 1 4.030 . . 1 . . . . 76 E HA . 25120 1 771 . 1 1 76 76 GLU HB2 H 1 2.525 . . 2 . . . . 76 E HB2 . 25120 1 772 . 1 1 76 76 GLU HG2 H 1 2.863 . . 2 . . . . 76 E HG2 . 25120 1 773 . 1 1 76 76 GLU HG3 H 1 2.531 . . 2 . . . . 76 E HG3 . 25120 1 774 . 1 1 76 76 GLU C C 13 178.881 . . 1 . . . . 76 E C . 25120 1 775 . 1 1 76 76 GLU CA C 13 58.394 . . 1 . . . . 76 E CA . 25120 1 776 . 1 1 76 76 GLU CB C 13 32.093 . . 1 . . . . 76 E CB . 25120 1 777 . 1 1 76 76 GLU CG C 13 36.590 . . 1 . . . . 76 E CG . 25120 1 778 . 1 1 76 76 GLU N N 15 120.233 . . 1 . . . . 76 E N . 25120 1 779 . 1 1 77 77 PHE H H 1 8.960 . . 1 . . . . 77 F HN . 25120 1 780 . 1 1 77 77 PHE HA H 1 3.948 . . 1 . . . . 77 F HA . 25120 1 781 . 1 1 77 77 PHE HB2 H 1 3.227 . . 2 . . . . 77 F HB2 . 25120 1 782 . 1 1 77 77 PHE HB3 H 1 3.115 . . 2 . . . . 77 F HB3 . 25120 1 783 . 1 1 77 77 PHE HD1 H 1 6.995 . . 3 . . . . 77 F HD1 . 25120 1 784 . 1 1 77 77 PHE C C 13 177.015 . . 1 . . . . 77 F C . 25120 1 785 . 1 1 77 77 PHE CA C 13 60.814 . . 1 . . . . 77 F CA . 25120 1 786 . 1 1 77 77 PHE CB C 13 39.743 . . 1 . . . . 77 F CB . 25120 1 787 . 1 1 77 77 PHE N N 15 122.996 . . 1 . . . . 77 F N . 25120 1 788 . 1 1 78 78 LEU H H 1 7.944 . . 1 . . . . 78 L HN . 25120 1 789 . 1 1 78 78 LEU HA H 1 3.341 . . 1 . . . . 78 L HA . 25120 1 790 . 1 1 78 78 LEU HB2 H 1 1.809 . . 2 . . . . 78 L HB2 . 25120 1 791 . 1 1 78 78 LEU HB3 H 1 1.072 . . 2 . . . . 78 L HB3 . 25120 1 792 . 1 1 78 78 LEU HG H 1 1.506 . . 1 . . . . 78 L HG . 25120 1 793 . 1 1 78 78 LEU HD11 H 1 1.012 . . 2 . . . . 78 L HD11 . 25120 1 794 . 1 1 78 78 LEU HD12 H 1 1.012 . . 2 . . . . 78 L HD12 . 25120 1 795 . 1 1 78 78 LEU HD13 H 1 1.012 . . 2 . . . . 78 L HD13 . 25120 1 796 . 1 1 78 78 LEU HD21 H 1 0.662 . . 2 . . . . 78 L HD21 . 25120 1 797 . 1 1 78 78 LEU HD22 H 1 0.662 . . 2 . . . . 78 L HD22 . 25120 1 798 . 1 1 78 78 LEU HD23 H 1 0.662 . . 2 . . . . 78 L HD23 . 25120 1 799 . 1 1 78 78 LEU C C 13 178.633 . . 1 . . . . 78 L C . 25120 1 800 . 1 1 78 78 LEU CA C 13 58.001 . . 1 . . . . 78 L CA . 25120 1 801 . 1 1 78 78 LEU CB C 13 41.474 . . 1 . . . . 78 L CB . 25120 1 802 . 1 1 78 78 LEU CD1 C 13 23.280 . . 2 . . . . 78 L CD1 . 25120 1 803 . 1 1 78 78 LEU CD2 C 13 23.970 . . 2 . . . . 78 L CD2 . 25120 1 804 . 1 1 78 78 LEU N N 15 118.643 . . 1 . . . . 78 L N . 25120 1 805 . 1 1 79 79 VAL H H 1 6.945 . . 1 . . . . 79 V HN . 25120 1 806 . 1 1 79 79 VAL HA H 1 3.261 . . 1 . . . . 79 V HA . 25120 1 807 . 1 1 79 79 VAL HB H 1 2.250 . . 1 . . . . 79 V HB . 25120 1 808 . 1 1 79 79 VAL HG11 H 1 0.996 . . 2 . . . . 79 V HG11 . 25120 1 809 . 1 1 79 79 VAL HG12 H 1 0.996 . . 2 . . . . 79 V HG12 . 25120 1 810 . 1 1 79 79 VAL HG13 H 1 0.996 . . 2 . . . . 79 V HG13 . 25120 1 811 . 1 1 79 79 VAL HG21 H 1 0.692 . . 2 . . . . 79 V HG21 . 25120 1 812 . 1 1 79 79 VAL HG22 H 1 0.692 . . 2 . . . . 79 V HG22 . 25120 1 813 . 1 1 79 79 VAL HG23 H 1 0.692 . . 2 . . . . 79 V HG23 . 25120 1 814 . 1 1 79 79 VAL C C 13 177.402 . . 1 . . . . 79 V C . 25120 1 815 . 1 1 79 79 VAL CA C 13 66.797 . . 1 . . . . 79 V CA . 25120 1 816 . 1 1 79 79 VAL CB C 13 30.846 . . 1 . . . . 79 V CB . 25120 1 817 . 1 1 79 79 VAL CG1 C 13 23.232 . . 2 . . . . 79 V CG1 . 25120 1 818 . 1 1 79 79 VAL CG2 C 13 21.787 . . 2 . . . . 79 V CG2 . 25120 1 819 . 1 1 79 79 VAL N N 15 118.026 . . 1 . . . . 79 V N . 25120 1 820 . 1 1 80 80 MET H H 1 7.922 . . 1 . . . . 80 M HN . 25120 1 821 . 1 1 80 80 MET HA H 1 3.607 . . 1 . . . . 80 M HA . 25120 1 822 . 1 1 80 80 MET HB2 H 1 2.189 . . 2 . . . . 80 M HB2 . 25120 1 823 . 1 1 80 80 MET HB3 H 1 2.002 . . 2 . . . . 80 M HB3 . 25120 1 824 . 1 1 80 80 MET HG2 H 1 2.476 . . 2 . . . . 80 M HG2 . 25120 1 825 . 1 1 80 80 MET HG3 H 1 2.132 . . 2 . . . . 80 M HG3 . 25120 1 826 . 1 1 80 80 MET HE1 H 1 2.008 . . 1 . . . . 80 M HE1 . 25120 1 827 . 1 1 80 80 MET HE2 H 1 2.008 . . 1 . . . . 80 M HE2 . 25120 1 828 . 1 1 80 80 MET HE3 H 1 2.008 . . 1 . . . . 80 M HE3 . 25120 1 829 . 1 1 80 80 MET C C 13 178.682 . . 1 . . . . 80 M C . 25120 1 830 . 1 1 80 80 MET CA C 13 59.250 . . 1 . . . . 80 M CA . 25120 1 831 . 1 1 80 80 MET CB C 13 33.419 . . 1 . . . . 80 M CB . 25120 1 832 . 1 1 80 80 MET CG C 13 32.011 . . 1 . . . . 80 M CG . 25120 1 833 . 1 1 80 80 MET CE C 13 17.266 . . 1 . . . . 80 M CE . 25120 1 834 . 1 1 80 80 MET N N 15 119.968 . . 1 . . . . 80 M N . 25120 1 835 . 1 1 81 81 MET H H 1 8.089 . . 1 . . . . 81 M HN . 25120 1 836 . 1 1 81 81 MET HA H 1 4.063 . . 1 . . . . 81 M HA . 25120 1 837 . 1 1 81 81 MET HB2 H 1 1.106 . . 2 . . . . 81 M HB2 . 25120 1 838 . 1 1 81 81 MET HB3 H 1 1.045 . . 2 . . . . 81 M HB3 . 25120 1 839 . 1 1 81 81 MET HG2 H 1 1.488 . . 2 . . . . 81 M HG2 . 25120 1 840 . 1 1 81 81 MET HG3 H 1 1.272 . . 2 . . . . 81 M HG3 . 25120 1 841 . 1 1 81 81 MET HE1 H 1 1.512 . . 1 . . . . 81 M HE1 . 25120 1 842 . 1 1 81 81 MET HE2 H 1 1.512 . . 1 . . . . 81 M HE2 . 25120 1 843 . 1 1 81 81 MET HE3 H 1 1.512 . . 1 . . . . 81 M HE3 . 25120 1 844 . 1 1 81 81 MET C C 13 179.220 . . 1 . . . . 81 M C . 25120 1 845 . 1 1 81 81 MET CA C 13 56.375 . . 1 . . . . 81 M CA . 25120 1 846 . 1 1 81 81 MET CB C 13 31.915 . . 1 . . . . 81 M CB . 25120 1 847 . 1 1 81 81 MET CG C 13 32.141 . . 1 . . . . 81 M CG . 25120 1 848 . 1 1 81 81 MET CE C 13 18.267 . . 1 . . . . 81 M CE . 25120 1 849 . 1 1 81 81 MET N N 15 117.292 . . 1 . . . . 81 M N . 25120 1 850 . 1 1 82 82 VAL H H 1 8.229 . . 1 . . . . 82 V HN . 25120 1 851 . 1 1 82 82 VAL HA H 1 3.926 . . 1 . . . . 82 V HA . 25120 1 852 . 1 1 82 82 VAL HB H 1 2.191 . . 1 . . . . 82 V HB . 25120 1 853 . 1 1 82 82 VAL HG11 H 1 1.001 . . 2 . . . . 82 V HG11 . 25120 1 854 . 1 1 82 82 VAL HG12 H 1 1.001 . . 2 . . . . 82 V HG12 . 25120 1 855 . 1 1 82 82 VAL HG13 H 1 1.001 . . 2 . . . . 82 V HG13 . 25120 1 856 . 1 1 82 82 VAL HG21 H 1 1.114 . . 2 . . . . 82 V HG21 . 25120 1 857 . 1 1 82 82 VAL HG22 H 1 1.114 . . 2 . . . . 82 V HG22 . 25120 1 858 . 1 1 82 82 VAL HG23 H 1 1.114 . . 2 . . . . 82 V HG23 . 25120 1 859 . 1 1 82 82 VAL C C 13 178.954 . . 1 . . . . 82 V C . 25120 1 860 . 1 1 82 82 VAL CA C 13 65.991 . . 1 . . . . 82 V CA . 25120 1 861 . 1 1 82 82 VAL CB C 13 31.267 . . 1 . . . . 82 V CB . 25120 1 862 . 1 1 82 82 VAL CG1 C 13 23.745 . . 2 . . . . 82 V CG1 . 25120 1 863 . 1 1 82 82 VAL CG2 C 13 22.157 . . 2 . . . . 82 V CG2 . 25120 1 864 . 1 1 82 82 VAL N N 15 118.235 . . 1 . . . . 82 V N . 25120 1 865 . 1 1 83 83 ARG H H 1 8.234 . . 1 . . . . 83 R HN . 25120 1 866 . 1 1 83 83 ARG HA H 1 3.845 . . 1 . . . . 83 R HA . 25120 1 867 . 1 1 83 83 ARG HB2 H 1 1.559 . . 2 . . . . 83 R HB2 . 25120 1 868 . 1 1 83 83 ARG HB3 H 1 1.666 . . 2 . . . . 83 R HB3 . 25120 1 869 . 1 1 83 83 ARG HG2 H 1 1.413 . . 2 . . . . 83 R HG2 . 25120 1 870 . 1 1 83 83 ARG HG3 H 1 1.083 . . 2 . . . . 83 R HG3 . 25120 1 871 . 1 1 83 83 ARG HD2 H 1 2.723 . . 2 . . . . 83 R HD2 . 25120 1 872 . 1 1 83 83 ARG C C 13 178.071 . . 1 . . . . 83 R C . 25120 1 873 . 1 1 83 83 ARG CA C 13 59.060 . . 1 . . . . 83 R CA . 25120 1 874 . 1 1 83 83 ARG CB C 13 30.028 . . 1 . . . . 83 R CB . 25120 1 875 . 1 1 83 83 ARG CG C 13 27.616 . . 1 . . . . 83 R CG . 25120 1 876 . 1 1 83 83 ARG CD C 13 43.357 . . 1 . . . . 83 R CD . 25120 1 877 . 1 1 83 83 ARG N N 15 120.282 . . 1 . . . . 83 R N . 25120 1 878 . 1 1 84 84 SER H H 1 7.540 . . 1 . . . . 84 S HN . 25120 1 879 . 1 1 84 84 SER HA H 1 4.375 . . 1 . . . . 84 S HA . 25120 1 880 . 1 1 84 84 SER HB2 H 1 3.975 . . 2 . . . . 84 S HB2 . 25120 1 881 . 1 1 84 84 SER C C 13 175.502 . . 1 . . . . 84 S C . 25120 1 882 . 1 1 84 84 SER CA C 13 60.382 . . 1 . . . . 84 S CA . 25120 1 883 . 1 1 84 84 SER CB C 13 63.475 . . 1 . . . . 84 S CB . 25120 1 884 . 1 1 84 84 SER N N 15 113.310 . . 1 . . . . 84 S N . 25120 1 885 . 1 1 85 85 MET H H 1 7.782 . . 1 . . . . 85 M HN . 25120 1 886 . 1 1 85 85 MET HA H 1 4.373 . . 1 . . . . 85 M HA . 25120 1 887 . 1 1 85 85 MET HB2 H 1 2.142 . . 2 . . . . 85 M HB2 . 25120 1 888 . 1 1 85 85 MET HB3 H 1 2.242 . . 2 . . . . 85 M HB3 . 25120 1 889 . 1 1 85 85 MET HG2 H 1 2.633 . . 2 . . . . 85 M HG2 . 25120 1 890 . 1 1 85 85 MET HG3 H 1 2.818 . . 2 . . . . 85 M HG3 . 25120 1 891 . 1 1 85 85 MET HE1 H 1 2.132 . . 1 . . . . 85 M HE1 . 25120 1 892 . 1 1 85 85 MET HE2 H 1 2.132 . . 1 . . . . 85 M HE2 . 25120 1 893 . 1 1 85 85 MET HE3 H 1 2.132 . . 1 . . . . 85 M HE3 . 25120 1 894 . 1 1 85 85 MET C C 13 176.830 . . 1 . . . . 85 M C . 25120 1 895 . 1 1 85 85 MET CA C 13 57.378 . . 1 . . . . 85 M CA . 25120 1 896 . 1 1 85 85 MET CB C 13 33.756 . . 1 . . . . 85 M CB . 25120 1 897 . 1 1 85 85 MET CG C 13 32.310 . . 1 . . . . 85 M CG . 25120 1 898 . 1 1 85 85 MET CE C 13 16.906 . . 1 . . . . 85 M CE . 25120 1 899 . 1 1 85 85 MET N N 15 120.514 . . 1 . . . . 85 M N . 25120 1 900 . 1 1 86 86 LYS H H 1 7.882 . . 1 . . . . 86 K HN . 25120 1 901 . 1 1 86 86 LYS HA H 1 4.350 . . 1 . . . . 86 K HA . 25120 1 902 . 1 1 86 86 LYS HB2 H 1 1.886 . . 2 . . . . 86 K HB2 . 25120 1 903 . 1 1 86 86 LYS HB3 H 1 1.830 . . 2 . . . . 86 K HB3 . 25120 1 904 . 1 1 86 86 LYS HG2 H 1 1.504 . . 2 . . . . 86 K HG2 . 25120 1 905 . 1 1 86 86 LYS HG3 H 1 1.442 . . 2 . . . . 86 K HG3 . 25120 1 906 . 1 1 86 86 LYS HD2 H 1 1.707 . . 2 . . . . 86 K HD2 . 25120 1 907 . 1 1 86 86 LYS HE2 H 1 3.000 . . 2 . . . . 86 K HE2 . 25120 1 908 . 1 1 86 86 LYS C C 13 176.517 . . 1 . . . . 86 K C . 25120 1 909 . 1 1 86 86 LYS CA C 13 56.525 . . 1 . . . . 86 K CA . 25120 1 910 . 1 1 86 86 LYS CB C 13 32.929 . . 1 . . . . 86 K CB . 25120 1 911 . 1 1 86 86 LYS CG C 13 24.715 . . 1 . . . . 86 K CG . 25120 1 912 . 1 1 86 86 LYS CD C 13 28.873 . . 1 . . . . 86 K CD . 25120 1 913 . 1 1 86 86 LYS CE C 13 41.946 . . 1 . . . . 86 K CE . 25120 1 914 . 1 1 86 86 LYS N N 15 119.978 . . 1 . . . . 86 K N . 25120 1 915 . 1 1 87 87 ASP H H 1 8.201 . . 1 . . . . 87 D HN . 25120 1 916 . 1 1 87 87 ASP HA H 1 4.675 . . 1 . . . . 87 D HA . 25120 1 917 . 1 1 87 87 ASP HB2 H 1 2.737 . . 2 . . . . 87 D HB2 . 25120 1 918 . 1 1 87 87 ASP C C 13 176.422 . . 1 . . . . 87 D C . 25120 1 919 . 1 1 87 87 ASP CA C 13 54.751 . . 1 . . . . 87 D CA . 25120 1 920 . 1 1 87 87 ASP CB C 13 41.146 . . 1 . . . . 87 D CB . 25120 1 921 . 1 1 87 87 ASP N N 15 121.592 . . 1 . . . . 87 D N . 25120 1 922 . 1 1 88 88 ASP H H 1 8.265 . . 1 . . . . 88 D HN . 25120 1 923 . 1 1 88 88 ASP HA H 1 4.659 . . 1 . . . . 88 D HA . 25120 1 924 . 1 1 88 88 ASP HB2 H 1 2.724 . . 2 . . . . 88 D HB2 . 25120 1 925 . 1 1 88 88 ASP C C 13 176.719 . . 1 . . . . 88 D C . 25120 1 926 . 1 1 88 88 ASP CA C 13 54.742 . . 1 . . . . 88 D CA . 25120 1 927 . 1 1 88 88 ASP CB C 13 41.258 . . 1 . . . . 88 D CB . 25120 1 928 . 1 1 88 88 ASP N N 15 121.813 . . 1 . . . . 88 D N . 25120 1 929 . 1 1 89 89 SER H H 1 8.227 . . 1 . . . . 89 S HN . 25120 1 930 . 1 1 89 89 SER HA H 1 4.393 . . 1 . . . . 89 S HA . 25120 1 931 . 1 1 89 89 SER HB2 H 1 3.914 . . 2 . . . . 89 S HB2 . 25120 1 932 . 1 1 89 89 SER C C 13 174.933 . . 1 . . . . 89 S C . 25120 1 933 . 1 1 89 89 SER CA C 13 59.176 . . 1 . . . . 89 S CA . 25120 1 934 . 1 1 89 89 SER CB C 13 63.534 . . 1 . . . . 89 S CB . 25120 1 935 . 1 1 89 89 SER N N 15 115.909 . . 1 . . . . 89 S N . 25120 1 936 . 1 1 90 90 LYS H H 1 8.132 . . 1 . . . . 90 K HN . 25120 1 937 . 1 1 90 90 LYS HA H 1 4.352 . . 1 . . . . 90 K HA . 25120 1 938 . 1 1 90 90 LYS HB2 H 1 1.886 . . 2 . . . . 90 K HB2 . 25120 1 939 . 1 1 90 90 LYS HB3 H 1 1.828 . . 2 . . . . 90 K HB3 . 25120 1 940 . 1 1 90 90 LYS HG2 H 1 1.504 . . 2 . . . . 90 K HG2 . 25120 1 941 . 1 1 90 90 LYS HG3 H 1 1.442 . . 2 . . . . 90 K HG3 . 25120 1 942 . 1 1 90 90 LYS HD2 H 1 1.707 . . 2 . . . . 90 K HD2 . 25120 1 943 . 1 1 90 90 LYS HE2 H 1 3.007 . . 2 . . . . 90 K HE2 . 25120 1 944 . 1 1 90 90 LYS C C 13 177.141 . . 1 . . . . 90 K C . 25120 1 945 . 1 1 90 90 LYS CA C 13 56.696 . . 1 . . . . 90 K CA . 25120 1 946 . 1 1 90 90 LYS CB C 13 32.981 . . 1 . . . . 90 K CB . 25120 1 947 . 1 1 90 90 LYS CG C 13 24.770 . . 1 . . . . 90 K CG . 25120 1 948 . 1 1 90 90 LYS CD C 13 28.873 . . 1 . . . . 90 K CD . 25120 1 949 . 1 1 90 90 LYS CE C 13 41.901 . . 1 . . . . 90 K CE . 25120 1 950 . 1 1 90 90 LYS N N 15 122.664 . . 1 . . . . 90 K N . 25120 1 951 . 1 1 91 91 GLY H H 1 8.338 . . 1 . . . . 91 G HN . 25120 1 952 . 1 1 91 91 GLY HA2 H 1 3.950 . . 2 . . . . 91 G HA2 . 25120 1 953 . 1 1 91 91 GLY C C 13 174.109 . . 1 . . . . 91 G C . 25120 1 954 . 1 1 91 91 GLY CA C 13 45.193 . . 1 . . . . 91 G CA . 25120 1 955 . 1 1 91 91 GLY N N 15 109.270 . . 1 . . . . 91 G N . 25120 1 956 . 1 1 92 92 LYS H H 1 8.297 . . 1 . . . . 92 K HN . 25120 1 957 . 1 1 92 92 LYS HA H 1 4.419 . . 1 . . . . 92 K HA . 25120 1 958 . 1 1 92 92 LYS HB2 H 1 1.865 . . 2 . . . . 92 K HB2 . 25120 1 959 . 1 1 92 92 LYS HB3 H 1 1.809 . . 2 . . . . 92 K HB3 . 25120 1 960 . 1 1 92 92 LYS HG2 H 1 1.492 . . 2 . . . . 92 K HG2 . 25120 1 961 . 1 1 92 92 LYS HD2 H 1 1.690 . . 2 . . . . 92 K HD2 . 25120 1 962 . 1 1 92 92 LYS HE2 H 1 3.000 . . 2 . . . . 92 K HE2 . 25120 1 963 . 1 1 92 92 LYS C C 13 176.916 . . 1 . . . . 92 K C . 25120 1 964 . 1 1 92 92 LYS CA C 13 56.306 . . 1 . . . . 92 K CA . 25120 1 965 . 1 1 92 92 LYS CB C 13 33.312 . . 1 . . . . 92 K CB . 25120 1 966 . 1 1 92 92 LYS CG C 13 25.168 . . 1 . . . . 92 K CG . 25120 1 967 . 1 1 92 92 LYS CD C 13 28.805 . . 1 . . . . 92 K CD . 25120 1 968 . 1 1 92 92 LYS CE C 13 41.840 . . 1 . . . . 92 K CE . 25120 1 969 . 1 1 92 92 LYS N N 15 120.853 . . 1 . . . . 92 K N . 25120 1 970 . 1 1 93 93 SER H H 1 8.601 . . 1 . . . . 93 S HN . 25120 1 971 . 1 1 93 93 SER HA H 1 4.476 . . 1 . . . . 93 S HA . 25120 1 972 . 1 1 93 93 SER HB2 H 1 4.159 . . 2 . . . . 93 S HB2 . 25120 1 973 . 1 1 93 93 SER HB3 H 1 4.012 . . 2 . . . . 93 S HB3 . 25120 1 974 . 1 1 93 93 SER C C 13 175.088 . . 1 . . . . 93 S C . 25120 1 975 . 1 1 93 93 SER CA C 13 58.411 . . 1 . . . . 93 S CA . 25120 1 976 . 1 1 93 93 SER CB C 13 64.184 . . 1 . . . . 93 S CB . 25120 1 977 . 1 1 93 93 SER N N 15 117.097 . . 1 . . . . 93 S N . 25120 1 978 . 1 1 94 94 GLU H H 1 8.708 . . 1 . . . . 94 E HN . 25120 1 979 . 1 1 94 94 GLU HA H 1 4.136 . . 1 . . . . 94 E HA . 25120 1 980 . 1 1 94 94 GLU HB2 H 1 2.092 . . 2 . . . . 94 E HB2 . 25120 1 981 . 1 1 94 94 GLU HG2 H 1 2.363 . . 2 . . . . 94 E HG2 . 25120 1 982 . 1 1 94 94 GLU C C 13 177.826 . . 1 . . . . 94 E C . 25120 1 983 . 1 1 94 94 GLU CA C 13 58.982 . . 1 . . . . 94 E CA . 25120 1 984 . 1 1 94 94 GLU CB C 13 29.341 . . 1 . . . . 94 E CB . 25120 1 985 . 1 1 94 94 GLU CG C 13 36.818 . . 1 . . . . 94 E CG . 25120 1 986 . 1 1 94 94 GLU N N 15 122.298 . . 1 . . . . 94 E N . 25120 1 987 . 1 1 95 95 GLU H H 1 8.468 . . 1 . . . . 95 E HN . 25120 1 988 . 1 1 95 95 GLU HA H 1 4.161 . . 1 . . . . 95 E HA . 25120 1 989 . 1 1 95 95 GLU HB2 H 1 2.048 . . 2 . . . . 95 E HB2 . 25120 1 990 . 1 1 95 95 GLU HG2 H 1 2.319 . . 2 . . . . 95 E HG2 . 25120 1 991 . 1 1 95 95 GLU C C 13 178.098 . . 1 . . . . 95 E C . 25120 1 992 . 1 1 95 95 GLU CA C 13 58.898 . . 1 . . . . 95 E CA . 25120 1 993 . 1 1 95 95 GLU CB C 13 29.525 . . 1 . . . . 95 E CB . 25120 1 994 . 1 1 95 95 GLU CG C 13 36.453 . . 1 . . . . 95 E CG . 25120 1 995 . 1 1 95 95 GLU N N 15 119.788 . . 1 . . . . 95 E N . 25120 1 996 . 1 1 96 96 GLU H H 1 8.141 . . 1 . . . . 96 E HN . 25120 1 997 . 1 1 96 96 GLU HA H 1 4.313 . . 1 . . . . 96 E HA . 25120 1 998 . 1 1 96 96 GLU HB2 H 1 2.090 . . 2 . . . . 96 E HB2 . 25120 1 999 . 1 1 96 96 GLU HG2 H 1 2.349 . . 2 . . . . 96 E HG2 . 25120 1 1000 . 1 1 96 96 GLU C C 13 178.992 . . 1 . . . . 96 E C . 25120 1 1001 . 1 1 96 96 GLU CA C 13 58.628 . . 1 . . . . 96 E CA . 25120 1 1002 . 1 1 96 96 GLU CB C 13 29.670 . . 1 . . . . 96 E CB . 25120 1 1003 . 1 1 96 96 GLU CG C 13 36.353 . . 1 . . . . 96 E CG . 25120 1 1004 . 1 1 96 96 GLU N N 15 120.461 . . 1 . . . . 96 E N . 25120 1 1005 . 1 1 97 97 LEU H H 1 8.421 . . 1 . . . . 97 L HN . 25120 1 1006 . 1 1 97 97 LEU HA H 1 4.324 . . 1 . . . . 97 L HA . 25120 1 1007 . 1 1 97 97 LEU HB2 H 1 1.647 . . 2 . . . . 97 L HB2 . 25120 1 1008 . 1 1 97 97 LEU HB3 H 1 2.095 . . 2 . . . . 97 L HB3 . 25120 1 1009 . 1 1 97 97 LEU HG H 1 1.836 . . 1 . . . . 97 L HG . 25120 1 1010 . 1 1 97 97 LEU HD11 H 1 0.889 . . 2 . . . . 97 L HD11 . 25120 1 1011 . 1 1 97 97 LEU HD12 H 1 0.889 . . 2 . . . . 97 L HD12 . 25120 1 1012 . 1 1 97 97 LEU HD13 H 1 0.889 . . 2 . . . . 97 L HD13 . 25120 1 1013 . 1 1 97 97 LEU HD21 H 1 0.847 . . 2 . . . . 97 L HD21 . 25120 1 1014 . 1 1 97 97 LEU HD22 H 1 0.847 . . 2 . . . . 97 L HD22 . 25120 1 1015 . 1 1 97 97 LEU HD23 H 1 0.847 . . 2 . . . . 97 L HD23 . 25120 1 1016 . 1 1 97 97 LEU C C 13 179.017 . . 1 . . . . 97 L C . 25120 1 1017 . 1 1 97 97 LEU CA C 13 58.287 . . 1 . . . . 97 L CA . 25120 1 1018 . 1 1 97 97 LEU CB C 13 41.858 . . 1 . . . . 97 L CB . 25120 1 1019 . 1 1 97 97 LEU CG C 13 27.564 . . 1 . . . . 97 L CG . 25120 1 1020 . 1 1 97 97 LEU CD1 C 13 23.417 . . 2 . . . . 97 L CD1 . 25120 1 1021 . 1 1 97 97 LEU CD2 C 13 26.028 . . 2 . . . . 97 L CD2 . 25120 1 1022 . 1 1 97 97 LEU N N 15 119.834 . . 1 . . . . 97 L N . 25120 1 1023 . 1 1 98 98 SER H H 1 8.502 . . 1 . . . . 98 S HN . 25120 1 1024 . 1 1 98 98 SER HA H 1 4.293 . . 1 . . . . 98 S HA . 25120 1 1025 . 1 1 98 98 SER HB2 H 1 4.050 . . 2 . . . . 98 S HB2 . 25120 1 1026 . 1 1 98 98 SER C C 13 177.049 . . 1 . . . . 98 S C . 25120 1 1027 . 1 1 98 98 SER CA C 13 62.183 . . 1 . . . . 98 S CA . 25120 1 1028 . 1 1 98 98 SER CB C 13 62.735 . . 1 . . . . 98 S CB . 25120 1 1029 . 1 1 98 98 SER N N 15 115.481 . . 1 . . . . 98 S N . 25120 1 1030 . 1 1 99 99 ASP H H 1 7.659 . . 1 . . . . 99 D HN . 25120 1 1031 . 1 1 99 99 ASP HA H 1 4.658 . . 1 . . . . 99 D HA . 25120 1 1032 . 1 1 99 99 ASP HB2 H 1 2.857 . . 2 . . . . 99 D HB2 . 25120 1 1033 . 1 1 99 99 ASP C C 13 178.088 . . 1 . . . . 99 D C . 25120 1 1034 . 1 1 99 99 ASP CA C 13 57.408 . . 1 . . . . 99 D CA . 25120 1 1035 . 1 1 99 99 ASP CB C 13 41.090 . . 1 . . . . 99 D CB . 25120 1 1036 . 1 1 99 99 ASP N N 15 121.684 . . 1 . . . . 99 D N . 25120 1 1037 . 1 1 100 100 LEU H H 1 8.121 . . 1 . . . . 100 L HN . 25120 1 1038 . 1 1 100 100 LEU HA H 1 4.149 . . 1 . . . . 100 L HA . 25120 1 1039 . 1 1 100 100 LEU HB2 H 1 2.320 . . 2 . . . . 100 L HB2 . 25120 1 1040 . 1 1 100 100 LEU HB3 H 1 1.680 . . 2 . . . . 100 L HB3 . 25120 1 1041 . 1 1 100 100 LEU HG H 1 2.133 . . 1 . . . . 100 L HG . 25120 1 1042 . 1 1 100 100 LEU HD11 H 1 1.103 . . 2 . . . . 100 L HD11 . 25120 1 1043 . 1 1 100 100 LEU HD12 H 1 1.103 . . 2 . . . . 100 L HD12 . 25120 1 1044 . 1 1 100 100 LEU HD13 H 1 1.103 . . 2 . . . . 100 L HD13 . 25120 1 1045 . 1 1 100 100 LEU HD21 H 1 0.975 . . 2 . . . . 100 L HD21 . 25120 1 1046 . 1 1 100 100 LEU HD22 H 1 0.975 . . 2 . . . . 100 L HD22 . 25120 1 1047 . 1 1 100 100 LEU HD23 H 1 0.975 . . 2 . . . . 100 L HD23 . 25120 1 1048 . 1 1 100 100 LEU C C 13 179.404 . . 1 . . . . 100 L C . 25120 1 1049 . 1 1 100 100 LEU CA C 13 58.070 . . 1 . . . . 100 L CA . 25120 1 1050 . 1 1 100 100 LEU CB C 13 41.676 . . 1 . . . . 100 L CB . 25120 1 1051 . 1 1 100 100 LEU CG C 13 26.767 . . 1 . . . . 100 L CG . 25120 1 1052 . 1 1 100 100 LEU CD1 C 13 26.305 . . 2 . . . . 100 L CD1 . 25120 1 1053 . 1 1 100 100 LEU CD2 C 13 23.443 . . 2 . . . . 100 L CD2 . 25120 1 1054 . 1 1 100 100 LEU N N 15 118.203 . . 1 . . . . 100 L N . 25120 1 1055 . 1 1 101 101 PHE H H 1 8.652 . . 1 . . . . 101 F HN . 25120 1 1056 . 1 1 101 101 PHE HA H 1 3.196 . . 1 . . . . 101 F HA . 25120 1 1057 . 1 1 101 101 PHE HB2 H 1 2.913 . . 2 . . . . 101 F HB2 . 25120 1 1058 . 1 1 101 101 PHE HD1 H 1 6.425 . . 3 . . . . 101 F HD1 . 25120 1 1059 . 1 1 101 101 PHE HE1 H 1 6.876 . . 3 . . . . 101 F HE1 . 25120 1 1060 . 1 1 101 101 PHE C C 13 177.333 . . 1 . . . . 101 F C . 25120 1 1061 . 1 1 101 101 PHE CA C 13 62.297 . . 1 . . . . 101 F CA . 25120 1 1062 . 1 1 101 101 PHE CB C 13 39.247 . . 1 . . . . 101 F CB . 25120 1 1063 . 1 1 101 101 PHE N N 15 120.182 . . 1 . . . . 101 F N . 25120 1 1064 . 1 1 102 102 ARG H H 1 7.518 . . 1 . . . . 102 R HN . 25120 1 1065 . 1 1 102 102 ARG HA H 1 3.978 . . 1 . . . . 102 R HA . 25120 1 1066 . 1 1 102 102 ARG HB2 H 1 1.739 . . 2 . . . . 102 R HB2 . 25120 1 1067 . 1 1 102 102 ARG C C 13 177.592 . . 1 . . . . 102 R C . 25120 1 1068 . 1 1 102 102 ARG CA C 13 59.048 . . 1 . . . . 102 R CA . 25120 1 1069 . 1 1 102 102 ARG CB C 13 31.394 . . 1 . . . . 102 R CB . 25120 1 1070 . 1 1 102 102 ARG N N 15 115.497 . . 1 . . . . 102 R N . 25120 1 1071 . 1 1 103 103 MET H H 1 7.595 . . 1 . . . . 103 M HN . 25120 1 1072 . 1 1 103 103 MET HA H 1 4.349 . . 1 . . . . 103 M HA . 25120 1 1073 . 1 1 103 103 MET HG2 H 1 2.686 . . 2 . . . . 103 M HG2 . 25120 1 1074 . 1 1 103 103 MET HE1 H 1 2.019 . . 1 . . . . 103 M HE1 . 25120 1 1075 . 1 1 103 103 MET HE2 H 1 2.019 . . 1 . . . . 103 M HE2 . 25120 1 1076 . 1 1 103 103 MET HE3 H 1 2.019 . . 1 . . . . 103 M HE3 . 25120 1 1077 . 1 1 103 103 MET C C 13 177.393 . . 1 . . . . 103 M C . 25120 1 1078 . 1 1 103 103 MET CA C 13 56.069 . . 1 . . . . 103 M CA . 25120 1 1079 . 1 1 103 103 MET CG C 13 32.500 . . 1 . . . . 103 M CG . 25120 1 1080 . 1 1 103 103 MET CE C 13 19.840 . . 1 . . . . 103 M CE . 25120 1 1081 . 1 1 103 103 MET N N 15 114.285 . . 1 . . . . 103 M N . 25120 1 1082 . 1 1 104 104 PHE H H 1 7.358 . . 1 . . . . 104 F HN . 25120 1 1083 . 1 1 104 104 PHE HA H 1 4.294 . . 1 . . . . 104 F HA . 25120 1 1084 . 1 1 104 104 PHE HD1 H 1 7.452 . . 3 . . . . 104 F HD1 . 25120 1 1085 . 1 1 104 104 PHE C C 13 176.639 . . 1 . . . . 104 F C . 25120 1 1086 . 1 1 104 104 PHE CA C 13 59.416 . . 1 . . . . 104 F CA . 25120 1 1087 . 1 1 104 104 PHE N N 15 115.115 . . 1 . . . . 104 F N . 25120 1 1088 . 1 1 105 105 ASP H H 1 7.297 . . 1 . . . . 105 D HN . 25120 1 1089 . 1 1 105 105 ASP HA H 1 4.445 . . 1 . . . . 105 D HA . 25120 1 1090 . 1 1 105 105 ASP HB2 H 1 1.455 . . 2 . . . . 105 D HB2 . 25120 1 1091 . 1 1 105 105 ASP HB3 H 1 2.369 . . 2 . . . . 105 D HB3 . 25120 1 1092 . 1 1 105 105 ASP C C 13 176.684 . . 1 . . . . 105 D C . 25120 1 1093 . 1 1 105 105 ASP CA C 13 52.292 . . 1 . . . . 105 D CA . 25120 1 1094 . 1 1 105 105 ASP CB C 13 38.966 . . 1 . . . . 105 D CB . 25120 1 1095 . 1 1 105 105 ASP N N 15 116.701 . . 1 . . . . 105 D N . 25120 1 1096 . 1 1 106 106 LYS H H 1 7.516 . . 1 . . . . 106 K HN . 25120 1 1097 . 1 1 106 106 LYS HA H 1 4.027 . . 1 . . . . 106 K HA . 25120 1 1098 . 1 1 106 106 LYS HB2 H 1 1.894 . . 2 . . . . 106 K HB2 . 25120 1 1099 . 1 1 106 106 LYS HG2 H 1 1.515 . . 2 . . . . 106 K HG2 . 25120 1 1100 . 1 1 106 106 LYS HE2 H 1 3.002 . . 2 . . . . 106 K HE2 . 25120 1 1101 . 1 1 106 106 LYS C C 13 178.120 . . 1 . . . . 106 K C . 25120 1 1102 . 1 1 106 106 LYS CA C 13 58.229 . . 1 . . . . 106 K CA . 25120 1 1103 . 1 1 106 106 LYS CB C 13 32.764 . . 1 . . . . 106 K CB . 25120 1 1104 . 1 1 106 106 LYS CG C 13 24.930 . . 1 . . . . 106 K CG . 25120 1 1105 . 1 1 106 106 LYS CE C 13 41.920 . . 1 . . . . 106 K CE . 25120 1 1106 . 1 1 106 106 LYS N N 15 124.209 . . 1 . . . . 106 K N . 25120 1 1107 . 1 1 107 107 ASN H H 1 8.040 . . 1 . . . . 107 N HN . 25120 1 1108 . 1 1 107 107 ASN HA H 1 4.731 . . 1 . . . . 107 N HA . 25120 1 1109 . 1 1 107 107 ASN HB2 H 1 2.879 . . 2 . . . . 107 N HB2 . 25120 1 1110 . 1 1 107 107 ASN HB3 H 1 3.306 . . 2 . . . . 107 N HB3 . 25120 1 1111 . 1 1 107 107 ASN C C 13 174.439 . . 1 . . . . 107 N C . 25120 1 1112 . 1 1 107 107 ASN CA C 13 51.781 . . 1 . . . . 107 N CA . 25120 1 1113 . 1 1 107 107 ASN CB C 13 36.902 . . 1 . . . . 107 N CB . 25120 1 1114 . 1 1 107 107 ASN N N 15 113.548 . . 1 . . . . 107 N N . 25120 1 1115 . 1 1 108 108 ALA H H 1 7.797 . . 1 . . . . 108 A HN . 25120 1 1116 . 1 1 108 108 ALA HA H 1 4.093 . . 1 . . . . 108 A HA . 25120 1 1117 . 1 1 108 108 ALA HB1 H 1 1.379 . . 1 . . . . 108 A HB1 . 25120 1 1118 . 1 1 108 108 ALA HB2 H 1 1.379 . . 1 . . . . 108 A HB2 . 25120 1 1119 . 1 1 108 108 ALA HB3 H 1 1.379 . . 1 . . . . 108 A HB3 . 25120 1 1120 . 1 1 108 108 ALA C C 13 176.594 . . 1 . . . . 108 A C . 25120 1 1121 . 1 1 108 108 ALA CA C 13 53.169 . . 1 . . . . 108 A CA . 25120 1 1122 . 1 1 108 108 ALA CB C 13 17.021 . . 1 . . . . 108 A CB . 25120 1 1123 . 1 1 108 108 ALA N N 15 121.192 . . 1 . . . . 108 A N . 25120 1 1124 . 1 1 109 109 ASP H H 1 8.531 . . 1 . . . . 109 D HN . 25120 1 1125 . 1 1 109 109 ASP HA H 1 4.704 . . 1 . . . . 109 D HA . 25120 1 1126 . 1 1 109 109 ASP HB2 H 1 3.216 . . 2 . . . . 109 D HB2 . 25120 1 1127 . 1 1 109 109 ASP HB3 H 1 2.458 . . 2 . . . . 109 D HB3 . 25120 1 1128 . 1 1 109 109 ASP C C 13 177.429 . . 1 . . . . 109 D C . 25120 1 1129 . 1 1 109 109 ASP CA C 13 53.393 . . 1 . . . . 109 D CA . 25120 1 1130 . 1 1 109 109 ASP CB C 13 41.007 . . 1 . . . . 109 D CB . 25120 1 1131 . 1 1 109 109 ASP N N 15 118.259 . . 1 . . . . 109 D N . 25120 1 1132 . 1 1 110 110 GLY H H 1 10.364 . . 1 . . . . 110 G HN . 25120 1 1133 . 1 1 110 110 GLY HA2 H 1 3.450 . . 2 . . . . 110 G HA2 . 25120 1 1134 . 1 1 110 110 GLY HA3 H 1 4.062 . . 2 . . . . 110 G HA3 . 25120 1 1135 . 1 1 110 110 GLY C C 13 172.489 . . 1 . . . . 110 G C . 25120 1 1136 . 1 1 110 110 GLY CA C 13 44.885 . . 1 . . . . 110 G CA . 25120 1 1137 . 1 1 110 110 GLY N N 15 111.944 . . 1 . . . . 110 G N . 25120 1 1138 . 1 1 111 111 TYR H H 1 8.003 . . 1 . . . . 111 Y HN . 25120 1 1139 . 1 1 111 111 TYR HA H 1 5.198 . . 1 . . . . 111 Y HA . 25120 1 1140 . 1 1 111 111 TYR HB2 H 1 2.574 . . 2 . . . . 111 Y HB2 . 25120 1 1141 . 1 1 111 111 TYR HB3 H 1 2.734 . . 2 . . . . 111 Y HB3 . 25120 1 1142 . 1 1 111 111 TYR HD1 H 1 6.734 . . 3 . . . . 111 Y HD1 . 25120 1 1143 . 1 1 111 111 TYR C C 13 174.825 . . 1 . . . . 111 Y C . 25120 1 1144 . 1 1 111 111 TYR CA C 13 56.103 . . 1 . . . . 111 Y CA . 25120 1 1145 . 1 1 111 111 TYR CB C 13 42.940 . . 1 . . . . 111 Y CB . 25120 1 1146 . 1 1 111 111 TYR N N 15 115.595 . . 1 . . . . 111 Y N . 25120 1 1147 . 1 1 112 112 ILE H H 1 9.832 . . 1 . . . . 112 I HN . 25120 1 1148 . 1 1 112 112 ILE HA H 1 4.780 . . 1 . . . . 112 I HA . 25120 1 1149 . 1 1 112 112 ILE HB H 1 1.888 . . 1 . . . . 112 I HB . 25120 1 1150 . 1 1 112 112 ILE HG12 H 1 1.300 . . 2 . . . . 112 I HG12 . 25120 1 1151 . 1 1 112 112 ILE HG21 H 1 0.961 . . 1 . . . . 112 I HG21 . 25120 1 1152 . 1 1 112 112 ILE HG22 H 1 0.961 . . 1 . . . . 112 I HG22 . 25120 1 1153 . 1 1 112 112 ILE HG23 H 1 0.961 . . 1 . . . . 112 I HG23 . 25120 1 1154 . 1 1 112 112 ILE HD11 H 1 0.267 . . 1 . . . . 112 I HD11 . 25120 1 1155 . 1 1 112 112 ILE HD12 H 1 0.267 . . 1 . . . . 112 I HD12 . 25120 1 1156 . 1 1 112 112 ILE HD13 H 1 0.267 . . 1 . . . . 112 I HD13 . 25120 1 1157 . 1 1 112 112 ILE C C 13 175.753 . . 1 . . . . 112 I C . 25120 1 1158 . 1 1 112 112 ILE CA C 13 60.576 . . 1 . . . . 112 I CA . 25120 1 1159 . 1 1 112 112 ILE CB C 13 38.929 . . 1 . . . . 112 I CB . 25120 1 1160 . 1 1 112 112 ILE CG1 C 13 26.868 . . 1 . . . . 112 I CG1 . 25120 1 1161 . 1 1 112 112 ILE CG2 C 13 17.281 . . 1 . . . . 112 I CG2 . 25120 1 1162 . 1 1 112 112 ILE CD1 C 13 15.447 . . 1 . . . . 112 I CD1 . 25120 1 1163 . 1 1 112 112 ILE N N 15 125.660 . . 1 . . . . 112 I N . 25120 1 1164 . 1 1 113 113 ASP H H 1 9.020 . . 1 . . . . 113 D HN . 25120 1 1165 . 1 1 113 113 ASP HA H 1 4.990 . . 1 . . . . 113 D HA . 25120 1 1166 . 1 1 113 113 ASP HB2 H 1 3.365 . . 2 . . . . 113 D HB2 . 25120 1 1167 . 1 1 113 113 ASP HB3 H 1 2.516 . . 2 . . . . 113 D HB3 . 25120 1 1168 . 1 1 113 113 ASP C C 13 175.594 . . 1 . . . . 113 D C . 25120 1 1169 . 1 1 113 113 ASP CA C 13 51.955 . . 1 . . . . 113 D CA . 25120 1 1170 . 1 1 113 113 ASP CB C 13 42.142 . . 1 . . . . 113 D CB . 25120 1 1171 . 1 1 113 113 ASP N N 15 128.290 . . 1 . . . . 113 D N . 25120 1 1172 . 1 1 114 114 LEU H H 1 8.499 . . 1 . . . . 114 L HN . 25120 1 1173 . 1 1 114 114 LEU HA H 1 3.997 . . 1 . . . . 114 L HA . 25120 1 1174 . 1 1 114 114 LEU HB2 H 1 1.753 . . 2 . . . . 114 L HB2 . 25120 1 1175 . 1 1 114 114 LEU HG H 1 1.698 . . 1 . . . . 114 L HG . 25120 1 1176 . 1 1 114 114 LEU HD11 H 1 0.943 . . 2 . . . . 114 L HD11 . 25120 1 1177 . 1 1 114 114 LEU HD12 H 1 0.943 . . 2 . . . . 114 L HD12 . 25120 1 1178 . 1 1 114 114 LEU HD13 H 1 0.943 . . 2 . . . . 114 L HD13 . 25120 1 1179 . 1 1 114 114 LEU HD21 H 1 0.981 . . 2 . . . . 114 L HD21 . 25120 1 1180 . 1 1 114 114 LEU HD22 H 1 0.981 . . 2 . . . . 114 L HD22 . 25120 1 1181 . 1 1 114 114 LEU HD23 H 1 0.981 . . 2 . . . . 114 L HD23 . 25120 1 1182 . 1 1 114 114 LEU C C 13 178.788 . . 1 . . . . 114 L C . 25120 1 1183 . 1 1 114 114 LEU CA C 13 58.930 . . 1 . . . . 114 L CA . 25120 1 1184 . 1 1 114 114 LEU CB C 13 42.665 . . 1 . . . . 114 L CB . 25120 1 1185 . 1 1 114 114 LEU CG C 13 27.293 . . 1 . . . . 114 L CG . 25120 1 1186 . 1 1 114 114 LEU CD1 C 13 25.342 . . 2 . . . . 114 L CD1 . 25120 1 1187 . 1 1 114 114 LEU CD2 C 13 24.610 . . 2 . . . . 114 L CD2 . 25120 1 1188 . 1 1 114 114 LEU N N 15 118.688 . . 1 . . . . 114 L N . 25120 1 1189 . 1 1 115 115 ASP H H 1 7.908 . . 1 . . . . 115 D HN . 25120 1 1190 . 1 1 115 115 ASP HA H 1 4.381 . . 1 . . . . 115 D HA . 25120 1 1191 . 1 1 115 115 ASP HB2 H 1 2.816 . . 2 . . . . 115 D HB2 . 25120 1 1192 . 1 1 115 115 ASP HB3 H 1 2.663 . . 2 . . . . 115 D HB3 . 25120 1 1193 . 1 1 115 115 ASP C C 13 179.167 . . 1 . . . . 115 D C . 25120 1 1194 . 1 1 115 115 ASP CA C 13 57.851 . . 1 . . . . 115 D CA . 25120 1 1195 . 1 1 115 115 ASP CB C 13 40.481 . . 1 . . . . 115 D CB . 25120 1 1196 . 1 1 115 115 ASP N N 15 118.146 . . 1 . . . . 115 D N . 25120 1 1197 . 1 1 116 116 GLU H H 1 8.605 . . 1 . . . . 116 E HN . 25120 1 1198 . 1 1 116 116 GLU HA H 1 3.981 . . 1 . . . . 116 E HA . 25120 1 1199 . 1 1 116 116 GLU HB2 H 1 1.884 . . 2 . . . . 116 E HB2 . 25120 1 1200 . 1 1 116 116 GLU HB3 H 1 2.369 . . 2 . . . . 116 E HB3 . 25120 1 1201 . 1 1 116 116 GLU HG2 H 1 2.339 . . 2 . . . . 116 E HG2 . 25120 1 1202 . 1 1 116 116 GLU C C 13 179.778 . . 1 . . . . 116 E C . 25120 1 1203 . 1 1 116 116 GLU CA C 13 59.309 . . 1 . . . . 116 E CA . 25120 1 1204 . 1 1 116 116 GLU CB C 13 29.969 . . 1 . . . . 116 E CB . 25120 1 1205 . 1 1 116 116 GLU CG C 13 36.434 . . 1 . . . . 116 E CG . 25120 1 1206 . 1 1 116 116 GLU N N 15 121.323 . . 1 . . . . 116 E N . 25120 1 1207 . 1 1 117 117 LEU H H 1 8.562 . . 1 . . . . 117 L HN . 25120 1 1208 . 1 1 117 117 LEU HA H 1 4.106 . . 1 . . . . 117 L HA . 25120 1 1209 . 1 1 117 117 LEU HB2 H 1 2.103 . . 2 . . . . 117 L HB2 . 25120 1 1210 . 1 1 117 117 LEU HB3 H 1 1.475 . . 2 . . . . 117 L HB3 . 25120 1 1211 . 1 1 117 117 LEU C C 13 178.540 . . 1 . . . . 117 L C . 25120 1 1212 . 1 1 117 117 LEU CA C 13 58.431 . . 1 . . . . 117 L CA . 25120 1 1213 . 1 1 117 117 LEU CB C 13 41.906 . . 1 . . . . 117 L CB . 25120 1 1214 . 1 1 117 117 LEU N N 15 121.083 . . 1 . . . . 117 L N . 25120 1 1215 . 1 1 118 118 LYS H H 1 8.581 . . 1 . . . . 118 K HN . 25120 1 1216 . 1 1 118 118 LYS HA H 1 3.845 . . 1 . . . . 118 K HA . 25120 1 1217 . 1 1 118 118 LYS HB2 H 1 2.023 . . 2 . . . . 118 K HB2 . 25120 1 1218 . 1 1 118 118 LYS HB3 H 1 2.125 . . 2 . . . . 118 K HB3 . 25120 1 1219 . 1 1 118 118 LYS HG2 H 1 1.593 . . 2 . . . . 118 K HG2 . 25120 1 1220 . 1 1 118 118 LYS HD2 H 1 1.767 . . 2 . . . . 118 K HD2 . 25120 1 1221 . 1 1 118 118 LYS C C 13 178.505 . . 1 . . . . 118 K C . 25120 1 1222 . 1 1 118 118 LYS CA C 13 61.269 . . 1 . . . . 118 K CA . 25120 1 1223 . 1 1 118 118 LYS CB C 13 32.568 . . 1 . . . . 118 K CB . 25120 1 1224 . 1 1 118 118 LYS CG C 13 25.000 . . 1 . . . . 118 K CG . 25120 1 1225 . 1 1 118 118 LYS CD C 13 29.506 . . 1 . . . . 118 K CD . 25120 1 1226 . 1 1 118 118 LYS N N 15 118.726 . . 1 . . . . 118 K N . 25120 1 1227 . 1 1 119 119 ILE H H 1 8.162 . . 1 . . . . 119 I HN . 25120 1 1228 . 1 1 119 119 ILE HA H 1 3.816 . . 1 . . . . 119 I HA . 25120 1 1229 . 1 1 119 119 ILE HB H 1 1.974 . . 1 . . . . 119 I HB . 25120 1 1230 . 1 1 119 119 ILE HG12 H 1 1.767 . . 2 . . . . 119 I HG12 . 25120 1 1231 . 1 1 119 119 ILE HG13 H 1 1.269 . . 2 . . . . 119 I HG13 . 25120 1 1232 . 1 1 119 119 ILE HG21 H 1 0.963 . . 1 . . . . 119 I HG21 . 25120 1 1233 . 1 1 119 119 ILE HG22 H 1 0.963 . . 1 . . . . 119 I HG22 . 25120 1 1234 . 1 1 119 119 ILE HG23 H 1 0.963 . . 1 . . . . 119 I HG23 . 25120 1 1235 . 1 1 119 119 ILE HD11 H 1 0.893 . . 1 . . . . 119 I HD11 . 25120 1 1236 . 1 1 119 119 ILE HD12 H 1 0.893 . . 1 . . . . 119 I HD12 . 25120 1 1237 . 1 1 119 119 ILE HD13 H 1 0.893 . . 1 . . . . 119 I HD13 . 25120 1 1238 . 1 1 119 119 ILE C C 13 179.027 . . 1 . . . . 119 I C . 25120 1 1239 . 1 1 119 119 ILE CA C 13 64.979 . . 1 . . . . 119 I CA . 25120 1 1240 . 1 1 119 119 ILE CB C 13 38.233 . . 1 . . . . 119 I CB . 25120 1 1241 . 1 1 119 119 ILE CG1 C 13 29.409 . . 1 . . . . 119 I CG1 . 25120 1 1242 . 1 1 119 119 ILE CG2 C 13 17.352 . . 1 . . . . 119 I CG2 . 25120 1 1243 . 1 1 119 119 ILE CD1 C 13 13.354 . . 1 . . . . 119 I CD1 . 25120 1 1244 . 1 1 119 119 ILE N N 15 119.149 . . 1 . . . . 119 I N . 25120 1 1245 . 1 1 120 120 MET H H 1 7.505 . . 1 . . . . 120 M HN . 25120 1 1246 . 1 1 120 120 MET HA H 1 4.221 . . 1 . . . . 120 M HA . 25120 1 1247 . 1 1 120 120 MET HB2 H 1 2.056 . . 2 . . . . 120 M HB2 . 25120 1 1248 . 1 1 120 120 MET HG2 H 1 2.451 . . 2 . . . . 120 M HG2 . 25120 1 1249 . 1 1 120 120 MET HG3 H 1 2.765 . . 2 . . . . 120 M HG3 . 25120 1 1250 . 1 1 120 120 MET C C 13 177.948 . . 1 . . . . 120 M C . 25120 1 1251 . 1 1 120 120 MET CA C 13 57.170 . . 1 . . . . 120 M CA . 25120 1 1252 . 1 1 120 120 MET CB C 13 31.609 . . 1 . . . . 120 M CB . 25120 1 1253 . 1 1 120 120 MET CG C 13 32.677 . . 1 . . . . 120 M CG . 25120 1 1254 . 1 1 120 120 MET N N 15 119.334 . . 1 . . . . 120 M N . 25120 1 1255 . 1 1 121 121 LEU H H 1 8.457 . . 1 . . . . 121 L HN . 25120 1 1256 . 1 1 121 121 LEU HA H 1 4.094 . . 1 . . . . 121 L HA . 25120 1 1257 . 1 1 121 121 LEU HB2 H 1 1.472 . . 2 . . . . 121 L HB2 . 25120 1 1258 . 1 1 121 121 LEU HB3 H 1 2.086 . . 2 . . . . 121 L HB3 . 25120 1 1259 . 1 1 121 121 LEU HD11 H 1 0.902 . . 2 . . . . 121 L HD11 . 25120 1 1260 . 1 1 121 121 LEU HD12 H 1 0.902 . . 2 . . . . 121 L HD12 . 25120 1 1261 . 1 1 121 121 LEU HD13 H 1 0.902 . . 2 . . . . 121 L HD13 . 25120 1 1262 . 1 1 121 121 LEU C C 13 180.594 . . 1 . . . . 121 L C . 25120 1 1263 . 1 1 121 121 LEU CA C 13 57.448 . . 1 . . . . 121 L CA . 25120 1 1264 . 1 1 121 121 LEU CB C 13 41.862 . . 1 . . . . 121 L CB . 25120 1 1265 . 1 1 121 121 LEU CD1 C 13 23.910 . . 2 . . . . 121 L CD1 . 25120 1 1266 . 1 1 121 121 LEU N N 15 117.699 . . 1 . . . . 121 L N . 25120 1 1267 . 1 1 122 122 GLN H H 1 8.804 . . 1 . . . . 122 Q HN . 25120 1 1268 . 1 1 122 122 GLN HA H 1 4.133 . . 1 . . . . 122 Q HA . 25120 1 1269 . 1 1 122 122 GLN HB2 H 1 2.167 . . 2 . . . . 122 Q HB2 . 25120 1 1270 . 1 1 122 122 GLN HB3 H 1 2.279 . . 2 . . . . 122 Q HB3 . 25120 1 1271 . 1 1 122 122 GLN HG2 H 1 2.609 . . 2 . . . . 122 Q HG2 . 25120 1 1272 . 1 1 122 122 GLN HG3 H 1 2.443 . . 2 . . . . 122 Q HG3 . 25120 1 1273 . 1 1 122 122 GLN C C 13 178.310 . . 1 . . . . 122 Q C . 25120 1 1274 . 1 1 122 122 GLN CA C 13 58.622 . . 1 . . . . 122 Q CA . 25120 1 1275 . 1 1 122 122 GLN CB C 13 28.111 . . 1 . . . . 122 Q CB . 25120 1 1276 . 1 1 122 122 GLN CG C 13 34.388 . . 1 . . . . 122 Q CG . 25120 1 1277 . 1 1 122 122 GLN N N 15 120.671 . . 1 . . . . 122 Q N . 25120 1 1278 . 1 1 123 123 ALA H H 1 7.584 . . 1 . . . . 123 A HN . 25120 1 1279 . 1 1 123 123 ALA HA H 1 4.316 . . 1 . . . . 123 A HA . 25120 1 1280 . 1 1 123 123 ALA HB1 H 1 1.620 . . 1 . . . . 123 A HB1 . 25120 1 1281 . 1 1 123 123 ALA HB2 H 1 1.620 . . 1 . . . . 123 A HB2 . 25120 1 1282 . 1 1 123 123 ALA HB3 H 1 1.620 . . 1 . . . . 123 A HB3 . 25120 1 1283 . 1 1 123 123 ALA C C 13 178.395 . . 1 . . . . 123 A C . 25120 1 1284 . 1 1 123 123 ALA CA C 13 53.686 . . 1 . . . . 123 A CA . 25120 1 1285 . 1 1 123 123 ALA CB C 13 18.449 . . 1 . . . . 123 A CB . 25120 1 1286 . 1 1 123 123 ALA N N 15 121.218 . . 1 . . . . 123 A N . 25120 1 1287 . 1 1 124 124 THR H H 1 7.488 . . 1 . . . . 124 T HN . 25120 1 1288 . 1 1 124 124 THR HA H 1 4.071 . . 1 . . . . 124 T HA . 25120 1 1289 . 1 1 124 124 THR HB H 1 4.341 . . 1 . . . . 124 T HB . 25120 1 1290 . 1 1 124 124 THR HG21 H 1 1.462 . . 1 . . . . 124 T HG21 . 25120 1 1291 . 1 1 124 124 THR HG22 H 1 1.462 . . 1 . . . . 124 T HG22 . 25120 1 1292 . 1 1 124 124 THR HG23 H 1 1.462 . . 1 . . . . 124 T HG23 . 25120 1 1293 . 1 1 124 124 THR C C 13 176.119 . . 1 . . . . 124 T C . 25120 1 1294 . 1 1 124 124 THR CA C 13 64.053 . . 1 . . . . 124 T CA . 25120 1 1295 . 1 1 124 124 THR CB C 13 71.062 . . 1 . . . . 124 T CB . 25120 1 1296 . 1 1 124 124 THR CG2 C 13 21.534 . . 1 . . . . 124 T CG2 . 25120 1 1297 . 1 1 124 124 THR N N 15 106.617 . . 1 . . . . 124 T N . 25120 1 1298 . 1 1 125 125 GLY H H 1 7.676 . . 1 . . . . 125 G HN . 25120 1 1299 . 1 1 125 125 GLY HA2 H 1 3.835 . . 2 . . . . 125 G HA2 . 25120 1 1300 . 1 1 125 125 GLY HA3 H 1 4.218 . . 2 . . . . 125 G HA3 . 25120 1 1301 . 1 1 125 125 GLY C C 13 174.046 . . 1 . . . . 125 G C . 25120 1 1302 . 1 1 125 125 GLY CA C 13 45.643 . . 1 . . . . 125 G CA . 25120 1 1303 . 1 1 125 125 GLY N N 15 108.144 . . 1 . . . . 125 G N . 25120 1 1304 . 1 1 126 126 GLU H H 1 7.519 . . 1 . . . . 126 E HN . 25120 1 1305 . 1 1 126 126 GLU HA H 1 4.346 . . 1 . . . . 126 E HA . 25120 1 1306 . 1 1 126 126 GLU HB2 H 1 1.716 . . 2 . . . . 126 E HB2 . 25120 1 1307 . 1 1 126 126 GLU HB3 H 1 1.894 . . 2 . . . . 126 E HB3 . 25120 1 1308 . 1 1 126 126 GLU HG2 H 1 2.047 . . 2 . . . . 126 E HG2 . 25120 1 1309 . 1 1 126 126 GLU HG3 H 1 2.156 . . 2 . . . . 126 E HG3 . 25120 1 1310 . 1 1 126 126 GLU C C 13 176.147 . . 1 . . . . 126 E C . 25120 1 1311 . 1 1 126 126 GLU CA C 13 55.004 . . 1 . . . . 126 E CA . 25120 1 1312 . 1 1 126 126 GLU CB C 13 31.002 . . 1 . . . . 126 E CB . 25120 1 1313 . 1 1 126 126 GLU CG C 13 36.482 . . 1 . . . . 126 E CG . 25120 1 1314 . 1 1 126 126 GLU N N 15 120.123 . . 1 . . . . 126 E N . 25120 1 1315 . 1 1 127 127 THR H H 1 8.605 . . 1 . . . . 127 T HN . 25120 1 1316 . 1 1 127 127 THR HA H 1 4.198 . . 1 . . . . 127 T HA . 25120 1 1317 . 1 1 127 127 THR HB H 1 4.089 . . 1 . . . . 127 T HB . 25120 1 1318 . 1 1 127 127 THR HG21 H 1 1.180 . . 1 . . . . 127 T HG21 . 25120 1 1319 . 1 1 127 127 THR HG22 H 1 1.180 . . 1 . . . . 127 T HG22 . 25120 1 1320 . 1 1 127 127 THR HG23 H 1 1.180 . . 1 . . . . 127 T HG23 . 25120 1 1321 . 1 1 127 127 THR C C 13 173.568 . . 1 . . . . 127 T C . 25120 1 1322 . 1 1 127 127 THR CA C 13 63.357 . . 1 . . . . 127 T CA . 25120 1 1323 . 1 1 127 127 THR CB C 13 68.428 . . 1 . . . . 127 T CB . 25120 1 1324 . 1 1 127 127 THR CG2 C 13 21.628 . . 1 . . . . 127 T CG2 . 25120 1 1325 . 1 1 127 127 THR N N 15 119.711 . . 1 . . . . 127 T N . 25120 1 1326 . 1 1 128 128 ILE H H 1 8.274 . . 1 . . . . 128 I HN . 25120 1 1327 . 1 1 128 128 ILE HA H 1 4.671 . . 1 . . . . 128 I HA . 25120 1 1328 . 1 1 128 128 ILE HB H 1 2.070 . . 1 . . . . 128 I HB . 25120 1 1329 . 1 1 128 128 ILE HG12 H 1 1.567 . . 2 . . . . 128 I HG12 . 25120 1 1330 . 1 1 128 128 ILE HG13 H 1 1.093 . . 2 . . . . 128 I HG13 . 25120 1 1331 . 1 1 128 128 ILE HG21 H 1 0.957 . . 1 . . . . 128 I HG21 . 25120 1 1332 . 1 1 128 128 ILE HG22 H 1 0.957 . . 1 . . . . 128 I HG22 . 25120 1 1333 . 1 1 128 128 ILE HG23 H 1 0.957 . . 1 . . . . 128 I HG23 . 25120 1 1334 . 1 1 128 128 ILE HD11 H 1 0.632 . . 1 . . . . 128 I HD11 . 25120 1 1335 . 1 1 128 128 ILE HD12 H 1 0.632 . . 1 . . . . 128 I HD12 . 25120 1 1336 . 1 1 128 128 ILE HD13 H 1 0.632 . . 1 . . . . 128 I HD13 . 25120 1 1337 . 1 1 128 128 ILE C C 13 176.558 . . 1 . . . . 128 I C . 25120 1 1338 . 1 1 128 128 ILE CA C 13 57.778 . . 1 . . . . 128 I CA . 25120 1 1339 . 1 1 128 128 ILE CB C 13 38.595 . . 1 . . . . 128 I CB . 25120 1 1340 . 1 1 128 128 ILE CG1 C 13 25.702 . . 1 . . . . 128 I CG1 . 25120 1 1341 . 1 1 128 128 ILE CG2 C 13 18.463 . . 1 . . . . 128 I CG2 . 25120 1 1342 . 1 1 128 128 ILE CD1 C 13 11.475 . . 1 . . . . 128 I CD1 . 25120 1 1343 . 1 1 128 128 ILE N N 15 128.171 . . 1 . . . . 128 I N . 25120 1 1344 . 1 1 129 129 THR H H 1 9.622 . . 1 . . . . 129 T HN . 25120 1 1345 . 1 1 129 129 THR HA H 1 4.767 . . 1 . . . . 129 T HA . 25120 1 1346 . 1 1 129 129 THR HB H 1 4.698 . . 1 . . . . 129 T HB . 25120 1 1347 . 1 1 129 129 THR HG21 H 1 1.272 . . 1 . . . . 129 T HG21 . 25120 1 1348 . 1 1 129 129 THR HG22 H 1 1.272 . . 1 . . . . 129 T HG22 . 25120 1 1349 . 1 1 129 129 THR HG23 H 1 1.272 . . 1 . . . . 129 T HG23 . 25120 1 1350 . 1 1 129 129 THR C C 13 175.509 . . 1 . . . . 129 T C . 25120 1 1351 . 1 1 129 129 THR CA C 13 59.746 . . 1 . . . . 129 T CA . 25120 1 1352 . 1 1 129 129 THR CB C 13 72.225 . . 1 . . . . 129 T CB . 25120 1 1353 . 1 1 129 129 THR CG2 C 13 21.348 . . 1 . . . . 129 T CG2 . 25120 1 1354 . 1 1 129 129 THR N N 15 119.247 . . 1 . . . . 129 T N . 25120 1 1355 . 1 1 130 130 GLU H H 1 8.895 . . 1 . . . . 130 E HN . 25120 1 1356 . 1 1 130 130 GLU HA H 1 3.974 . . 1 . . . . 130 E HA . 25120 1 1357 . 1 1 130 130 GLU HB2 H 1 2.068 . . 2 . . . . 130 E HB2 . 25120 1 1358 . 1 1 130 130 GLU HG2 H 1 2.366 . . 2 . . . . 130 E HG2 . 25120 1 1359 . 1 1 130 130 GLU C C 13 178.600 . . 1 . . . . 130 E C . 25120 1 1360 . 1 1 130 130 GLU CA C 13 59.719 . . 1 . . . . 130 E CA . 25120 1 1361 . 1 1 130 130 GLU CB C 13 28.962 . . 1 . . . . 130 E CB . 25120 1 1362 . 1 1 130 130 GLU CG C 13 36.222 . . 1 . . . . 130 E CG . 25120 1 1363 . 1 1 130 130 GLU N N 15 119.821 . . 1 . . . . 130 E N . 25120 1 1364 . 1 1 131 131 ASP H H 1 7.831 . . 1 . . . . 131 D HN . 25120 1 1365 . 1 1 131 131 ASP HA H 1 4.399 . . 1 . . . . 131 D HA . 25120 1 1366 . 1 1 131 131 ASP HB2 H 1 2.484 . . 2 . . . . 131 D HB2 . 25120 1 1367 . 1 1 131 131 ASP C C 13 177.602 . . 1 . . . . 131 D C . 25120 1 1368 . 1 1 131 131 ASP CA C 13 57.254 . . 1 . . . . 131 D CA . 25120 1 1369 . 1 1 131 131 ASP CB C 13 40.801 . . 1 . . . . 131 D CB . 25120 1 1370 . 1 1 131 131 ASP N N 15 117.421 . . 1 . . . . 131 D N . 25120 1 1371 . 1 1 132 132 ASP H H 1 7.543 . . 1 . . . . 132 D HN . 25120 1 1372 . 1 1 132 132 ASP HA H 1 4.239 . . 1 . . . . 132 D HA . 25120 1 1373 . 1 1 132 132 ASP HB2 H 1 3.256 . . 2 . . . . 132 D HB2 . 25120 1 1374 . 1 1 132 132 ASP HB3 H 1 2.344 . . 2 . . . . 132 D HB3 . 25120 1 1375 . 1 1 132 132 ASP C C 13 177.639 . . 1 . . . . 132 D C . 25120 1 1376 . 1 1 132 132 ASP CA C 13 58.182 . . 1 . . . . 132 D CA . 25120 1 1377 . 1 1 132 132 ASP CB C 13 42.053 . . 1 . . . . 132 D CB . 25120 1 1378 . 1 1 132 132 ASP N N 15 119.591 . . 1 . . . . 132 D N . 25120 1 1379 . 1 1 133 133 ILE H H 1 7.176 . . 1 . . . . 133 I HN . 25120 1 1380 . 1 1 133 133 ILE HA H 1 3.379 . . 1 . . . . 133 I HA . 25120 1 1381 . 1 1 133 133 ILE HB H 1 1.888 . . 1 . . . . 133 I HB . 25120 1 1382 . 1 1 133 133 ILE HG12 H 1 1.771 . . 2 . . . . 133 I HG12 . 25120 1 1383 . 1 1 133 133 ILE HG21 H 1 0.935 . . 1 . . . . 133 I HG21 . 25120 1 1384 . 1 1 133 133 ILE HG22 H 1 0.935 . . 1 . . . . 133 I HG22 . 25120 1 1385 . 1 1 133 133 ILE HG23 H 1 0.935 . . 1 . . . . 133 I HG23 . 25120 1 1386 . 1 1 133 133 ILE HD11 H 1 0.899 . . 1 . . . . 133 I HD11 . 25120 1 1387 . 1 1 133 133 ILE HD12 H 1 0.899 . . 1 . . . . 133 I HD12 . 25120 1 1388 . 1 1 133 133 ILE HD13 H 1 0.899 . . 1 . . . . 133 I HD13 . 25120 1 1389 . 1 1 133 133 ILE C C 13 177.294 . . 1 . . . . 133 I C . 25120 1 1390 . 1 1 133 133 ILE CA C 13 65.110 . . 1 . . . . 133 I CA . 25120 1 1391 . 1 1 133 133 ILE CB C 13 38.715 . . 1 . . . . 133 I CB . 25120 1 1392 . 1 1 133 133 ILE CG1 C 13 29.562 . . 1 . . . . 133 I CG1 . 25120 1 1393 . 1 1 133 133 ILE CG2 C 13 18.348 . . 1 . . . . 133 I CG2 . 25120 1 1394 . 1 1 133 133 ILE CD1 C 13 14.088 . . 1 . . . . 133 I CD1 . 25120 1 1395 . 1 1 133 133 ILE N N 15 116.440 . . 1 . . . . 133 I N . 25120 1 1396 . 1 1 134 134 GLU H H 1 8.167 . . 1 . . . . 134 E HN . 25120 1 1397 . 1 1 134 134 GLU HA H 1 3.912 . . 1 . . . . 134 E HA . 25120 1 1398 . 1 1 134 134 GLU HB2 H 1 2.193 . . 2 . . . . 134 E HB2 . 25120 1 1399 . 1 1 134 134 GLU HG2 H 1 2.493 . . 2 . . . . 134 E HG2 . 25120 1 1400 . 1 1 134 134 GLU HG3 H 1 2.251 . . 2 . . . . 134 E HG3 . 25120 1 1401 . 1 1 134 134 GLU C C 13 179.782 . . 1 . . . . 134 E C . 25120 1 1402 . 1 1 134 134 GLU CA C 13 59.497 . . 1 . . . . 134 E CA . 25120 1 1403 . 1 1 134 134 GLU CB C 13 29.679 . . 1 . . . . 134 E CB . 25120 1 1404 . 1 1 134 134 GLU CG C 13 36.106 . . 1 . . . . 134 E CG . 25120 1 1405 . 1 1 134 134 GLU N N 15 117.764 . . 1 . . . . 134 E N . 25120 1 1406 . 1 1 135 135 GLU H H 1 8.428 . . 1 . . . . 135 E HN . 25120 1 1407 . 1 1 135 135 GLU HA H 1 4.239 . . 1 . . . . 135 E HA . 25120 1 1408 . 1 1 135 135 GLU HB2 H 1 2.132 . . 2 . . . . 135 E HB2 . 25120 1 1409 . 1 1 135 135 GLU HG2 H 1 2.316 . . 2 . . . . 135 E HG2 . 25120 1 1410 . 1 1 135 135 GLU HG3 H 1 2.488 . . 2 . . . . 135 E HG3 . 25120 1 1411 . 1 1 135 135 GLU C C 13 179.969 . . 1 . . . . 135 E C . 25120 1 1412 . 1 1 135 135 GLU CA C 13 58.900 . . 1 . . . . 135 E CA . 25120 1 1413 . 1 1 135 135 GLU CB C 13 29.670 . . 1 . . . . 135 E CB . 25120 1 1414 . 1 1 135 135 GLU CG C 13 37.125 . . 1 . . . . 135 E CG . 25120 1 1415 . 1 1 135 135 GLU N N 15 116.485 . . 1 . . . . 135 E N . 25120 1 1416 . 1 1 136 136 LEU H H 1 8.074 . . 1 . . . . 136 L HN . 25120 1 1417 . 1 1 136 136 LEU HA H 1 4.275 . . 1 . . . . 136 L HA . 25120 1 1418 . 1 1 136 136 LEU HB2 H 1 2.177 . . 2 . . . . 136 L HB2 . 25120 1 1419 . 1 1 136 136 LEU HB3 H 1 1.620 . . 2 . . . . 136 L HB3 . 25120 1 1420 . 1 1 136 136 LEU HD11 H 1 1.011 . . 2 . . . . 136 L HD11 . 25120 1 1421 . 1 1 136 136 LEU HD12 H 1 1.011 . . 2 . . . . 136 L HD12 . 25120 1 1422 . 1 1 136 136 LEU HD13 H 1 1.011 . . 2 . . . . 136 L HD13 . 25120 1 1423 . 1 1 136 136 LEU C C 13 178.458 . . 1 . . . . 136 L C . 25120 1 1424 . 1 1 136 136 LEU CA C 13 58.527 . . 1 . . . . 136 L CA . 25120 1 1425 . 1 1 136 136 LEU CB C 13 41.891 . . 1 . . . . 136 L CB . 25120 1 1426 . 1 1 136 136 LEU CD1 C 13 24.406 . . 2 . . . . 136 L CD1 . 25120 1 1427 . 1 1 136 136 LEU N N 15 120.700 . . 1 . . . . 136 L N . 25120 1 1428 . 1 1 137 137 MET H H 1 8.173 . . 1 . . . . 137 M HN . 25120 1 1429 . 1 1 137 137 MET HA H 1 4.317 . . 1 . . . . 137 M HA . 25120 1 1430 . 1 1 137 137 MET HG2 H 1 2.634 . . 2 . . . . 137 M HG2 . 25120 1 1431 . 1 1 137 137 MET HG3 H 1 2.487 . . 2 . . . . 137 M HG3 . 25120 1 1432 . 1 1 137 137 MET HE1 H 1 1.906 . . 1 . . . . 137 M HE1 . 25120 1 1433 . 1 1 137 137 MET HE2 H 1 1.906 . . 1 . . . . 137 M HE2 . 25120 1 1434 . 1 1 137 137 MET HE3 H 1 1.906 . . 1 . . . . 137 M HE3 . 25120 1 1435 . 1 1 137 137 MET C C 13 177.861 . . 1 . . . . 137 M C . 25120 1 1436 . 1 1 137 137 MET CA C 13 57.587 . . 1 . . . . 137 M CA . 25120 1 1437 . 1 1 137 137 MET CG C 13 32.183 . . 1 . . . . 137 M CG . 25120 1 1438 . 1 1 137 137 MET CE C 13 16.783 . . 1 . . . . 137 M CE . 25120 1 1439 . 1 1 137 137 MET N N 15 117.994 . . 1 . . . . 137 M N . 25120 1 1440 . 1 1 138 138 LYS H H 1 8.065 . . 1 . . . . 138 K HN . 25120 1 1441 . 1 1 138 138 LYS HA H 1 4.046 . . 1 . . . . 138 K HA . 25120 1 1442 . 1 1 138 138 LYS HB2 H 1 1.897 . . 2 . . . . 138 K HB2 . 25120 1 1443 . 1 1 138 138 LYS HG2 H 1 1.661 . . 2 . . . . 138 K HG2 . 25120 1 1444 . 1 1 138 138 LYS HG3 H 1 1.533 . . 2 . . . . 138 K HG3 . 25120 1 1445 . 1 1 138 138 LYS HE2 H 1 2.981 . . 2 . . . . 138 K HE2 . 25120 1 1446 . 1 1 138 138 LYS C C 13 178.326 . . 1 . . . . 138 K C . 25120 1 1447 . 1 1 138 138 LYS CA C 13 58.977 . . 1 . . . . 138 K CA . 25120 1 1448 . 1 1 138 138 LYS CB C 13 32.509 . . 1 . . . . 138 K CB . 25120 1 1449 . 1 1 138 138 LYS CG C 13 25.430 . . 1 . . . . 138 K CG . 25120 1 1450 . 1 1 138 138 LYS CE C 13 42.046 . . 1 . . . . 138 K CE . 25120 1 1451 . 1 1 138 138 LYS N N 15 117.365 . . 1 . . . . 138 K N . 25120 1 1452 . 1 1 139 139 ASP H H 1 7.653 . . 1 . . . . 139 D HN . 25120 1 1453 . 1 1 139 139 ASP HA H 1 4.393 . . 1 . . . . 139 D HA . 25120 1 1454 . 1 1 139 139 ASP HB2 H 1 2.796 . . 2 . . . . 139 D HB2 . 25120 1 1455 . 1 1 139 139 ASP HB3 H 1 3.146 . . 2 . . . . 139 D HB3 . 25120 1 1456 . 1 1 139 139 ASP C C 13 177.556 . . 1 . . . . 139 D C . 25120 1 1457 . 1 1 139 139 ASP CA C 13 56.710 . . 1 . . . . 139 D CA . 25120 1 1458 . 1 1 139 139 ASP CB C 13 43.369 . . 1 . . . . 139 D CB . 25120 1 1459 . 1 1 139 139 ASP N N 15 117.259 . . 1 . . . . 139 D N . 25120 1 1460 . 1 1 140 140 GLY H H 1 7.900 . . 1 . . . . 140 G HN . 25120 1 1461 . 1 1 140 140 GLY HA2 H 1 4.050 . . 2 . . . . 140 G HA2 . 25120 1 1462 . 1 1 140 140 GLY HA3 H 1 2.851 . . 2 . . . . 140 G HA3 . 25120 1 1463 . 1 1 140 140 GLY C C 13 174.123 . . 1 . . . . 140 G C . 25120 1 1464 . 1 1 140 140 GLY CA C 13 46.155 . . 1 . . . . 140 G CA . 25120 1 1465 . 1 1 140 140 GLY N N 15 101.711 . . 1 . . . . 140 G N . 25120 1 1466 . 1 1 141 141 ASP H H 1 8.501 . . 1 . . . . 141 D HN . 25120 1 1467 . 1 1 141 141 ASP HA H 1 4.607 . . 1 . . . . 141 D HA . 25120 1 1468 . 1 1 141 141 ASP HB2 H 1 2.311 . . 2 . . . . 141 D HB2 . 25120 1 1469 . 1 1 141 141 ASP HB3 H 1 2.939 . . 2 . . . . 141 D HB3 . 25120 1 1470 . 1 1 141 141 ASP C C 13 176.497 . . 1 . . . . 141 D C . 25120 1 1471 . 1 1 141 141 ASP CA C 13 53.313 . . 1 . . . . 141 D CA . 25120 1 1472 . 1 1 141 141 ASP CB C 13 39.503 . . 1 . . . . 141 D CB . 25120 1 1473 . 1 1 141 141 ASP N N 15 120.437 . . 1 . . . . 141 D N . 25120 1 1474 . 1 1 142 142 LYS H H 1 7.790 . . 1 . . . . 142 K HN . 25120 1 1475 . 1 1 142 142 LYS HA H 1 4.145 . . 1 . . . . 142 K HA . 25120 1 1476 . 1 1 142 142 LYS HB2 H 1 1.854 . . 2 . . . . 142 K HB2 . 25120 1 1477 . 1 1 142 142 LYS HG2 H 1 1.559 . . 2 . . . . 142 K HG2 . 25120 1 1478 . 1 1 142 142 LYS HD2 H 1 1.715 . . 2 . . . . 142 K HD2 . 25120 1 1479 . 1 1 142 142 LYS HE2 H 1 2.998 . . 2 . . . . 142 K HE2 . 25120 1 1480 . 1 1 142 142 LYS C C 13 177.776 . . 1 . . . . 142 K C . 25120 1 1481 . 1 1 142 142 LYS CA C 13 57.656 . . 1 . . . . 142 K CA . 25120 1 1482 . 1 1 142 142 LYS CB C 13 32.961 . . 1 . . . . 142 K CB . 25120 1 1483 . 1 1 142 142 LYS CG C 13 24.749 . . 1 . . . . 142 K CG . 25120 1 1484 . 1 1 142 142 LYS CD C 13 29.711 . . 1 . . . . 142 K CD . 25120 1 1485 . 1 1 142 142 LYS CE C 13 41.984 . . 1 . . . . 142 K CE . 25120 1 1486 . 1 1 142 142 LYS N N 15 125.787 . . 1 . . . . 142 K N . 25120 1 1487 . 1 1 143 143 ASN H H 1 8.127 . . 1 . . . . 143 N HN . 25120 1 1488 . 1 1 143 143 ASN HA H 1 4.816 . . 1 . . . . 143 N HA . 25120 1 1489 . 1 1 143 143 ASN HB2 H 1 3.324 . . 2 . . . . 143 N HB2 . 25120 1 1490 . 1 1 143 143 ASN HB3 H 1 2.858 . . 2 . . . . 143 N HB3 . 25120 1 1491 . 1 1 143 143 ASN HD21 H 1 7.856 . . 2 . . . . 143 N HD21 . 25120 1 1492 . 1 1 143 143 ASN HD22 H 1 6.579 . . 2 . . . . 143 N HD22 . 25120 1 1493 . 1 1 143 143 ASN C C 13 175.040 . . 1 . . . . 143 N C . 25120 1 1494 . 1 1 143 143 ASN CA C 13 51.556 . . 1 . . . . 143 N CA . 25120 1 1495 . 1 1 143 143 ASN CB C 13 37.082 . . 1 . . . . 143 N CB . 25120 1 1496 . 1 1 143 143 ASN N N 15 113.617 . . 1 . . . . 143 N N . 25120 1 1497 . 1 1 143 143 ASN ND2 N 15 112.536 . . 1 . . . . 143 N ND2 . 25120 1 1498 . 1 1 144 144 ASN H H 1 7.743 . . 1 . . . . 144 N HN . 25120 1 1499 . 1 1 144 144 ASN HA H 1 4.515 . . 1 . . . . 144 N HA . 25120 1 1500 . 1 1 144 144 ASN HB2 H 1 2.651 . . 2 . . . . 144 N HB2 . 25120 1 1501 . 1 1 144 144 ASN HB3 H 1 3.090 . . 2 . . . . 144 N HB3 . 25120 1 1502 . 1 1 144 144 ASN HD21 H 1 7.399 . . 2 . . . . 144 N HD21 . 25120 1 1503 . 1 1 144 144 ASN HD22 H 1 6.662 . . 2 . . . . 144 N HD22 . 25120 1 1504 . 1 1 144 144 ASN C C 13 174.577 . . 1 . . . . 144 N C . 25120 1 1505 . 1 1 144 144 ASN CA C 13 54.909 . . 1 . . . . 144 N CA . 25120 1 1506 . 1 1 144 144 ASN CB C 13 37.783 . . 1 . . . . 144 N CB . 25120 1 1507 . 1 1 144 144 ASN N N 15 115.678 . . 1 . . . . 144 N N . 25120 1 1508 . 1 1 144 144 ASN ND2 N 15 111.744 . . 1 . . . . 144 N ND2 . 25120 1 1509 . 1 1 145 145 ASP H H 1 8.678 . . 1 . . . . 145 D HN . 25120 1 1510 . 1 1 145 145 ASP HA H 1 4.720 . . 1 . . . . 145 D HA . 25120 1 1511 . 1 1 145 145 ASP HB2 H 1 3.025 . . 2 . . . . 145 D HB2 . 25120 1 1512 . 1 1 145 145 ASP HB3 H 1 2.408 . . 2 . . . . 145 D HB3 . 25120 1 1513 . 1 1 145 145 ASP C C 13 177.909 . . 1 . . . . 145 D C . 25120 1 1514 . 1 1 145 145 ASP CA C 13 53.047 . . 1 . . . . 145 D CA . 25120 1 1515 . 1 1 145 145 ASP CB C 13 40.933 . . 1 . . . . 145 D CB . 25120 1 1516 . 1 1 145 145 ASP N N 15 118.296 . . 1 . . . . 145 D N . 25120 1 1517 . 1 1 146 146 GLY H H 1 10.287 . . 1 . . . . 146 G HN . 25120 1 1518 . 1 1 146 146 GLY HA2 H 1 4.069 . . 2 . . . . 146 G HA2 . 25120 1 1519 . 1 1 146 146 GLY HA3 H 1 3.473 . . 2 . . . . 146 G HA3 . 25120 1 1520 . 1 1 146 146 GLY C C 13 172.995 . . 1 . . . . 146 G C . 25120 1 1521 . 1 1 146 146 GLY CA C 13 45.764 . . 1 . . . . 146 G CA . 25120 1 1522 . 1 1 146 146 GLY N N 15 112.697 . . 1 . . . . 146 G N . 25120 1 1523 . 1 1 147 147 ARG H H 1 7.693 . . 1 . . . . 147 R HN . 25120 1 1524 . 1 1 147 147 ARG HA H 1 4.920 . . 1 . . . . 147 R HA . 25120 1 1525 . 1 1 147 147 ARG HB2 H 1 1.547 . . 2 . . . . 147 R HB2 . 25120 1 1526 . 1 1 147 147 ARG HG2 H 1 1.271 . . 2 . . . . 147 R HG2 . 25120 1 1527 . 1 1 147 147 ARG HG3 H 1 1.334 . . 2 . . . . 147 R HG3 . 25120 1 1528 . 1 1 147 147 ARG HD2 H 1 2.533 . . 2 . . . . 147 R HD2 . 25120 1 1529 . 1 1 147 147 ARG HD3 H 1 2.289 . . 2 . . . . 147 R HD3 . 25120 1 1530 . 1 1 147 147 ARG C C 13 175.071 . . 1 . . . . 147 R C . 25120 1 1531 . 1 1 147 147 ARG CA C 13 53.902 . . 1 . . . . 147 R CA . 25120 1 1532 . 1 1 147 147 ARG CB C 13 34.306 . . 1 . . . . 147 R CB . 25120 1 1533 . 1 1 147 147 ARG CG C 13 25.794 . . 1 . . . . 147 R CG . 25120 1 1534 . 1 1 147 147 ARG CD C 13 42.966 . . 1 . . . . 147 R CD . 25120 1 1535 . 1 1 147 147 ARG N N 15 115.518 . . 1 . . . . 147 R N . 25120 1 1536 . 1 1 148 148 ILE H H 1 9.415 . . 1 . . . . 148 I HN . 25120 1 1537 . 1 1 148 148 ILE HA H 1 5.077 . . 1 . . . . 148 I HA . 25120 1 1538 . 1 1 148 148 ILE HB H 1 1.821 . . 1 . . . . 148 I HB . 25120 1 1539 . 1 1 148 148 ILE HG12 H 1 1.621 . . 2 . . . . 148 I HG12 . 25120 1 1540 . 1 1 148 148 ILE HG21 H 1 0.963 . . 1 . . . . 148 I HG21 . 25120 1 1541 . 1 1 148 148 ILE HG22 H 1 0.963 . . 1 . . . . 148 I HG22 . 25120 1 1542 . 1 1 148 148 ILE HG23 H 1 0.963 . . 1 . . . . 148 I HG23 . 25120 1 1543 . 1 1 148 148 ILE HD11 H 1 0.374 . . 1 . . . . 148 I HD11 . 25120 1 1544 . 1 1 148 148 ILE HD12 H 1 0.374 . . 1 . . . . 148 I HD12 . 25120 1 1545 . 1 1 148 148 ILE HD13 H 1 0.374 . . 1 . . . . 148 I HD13 . 25120 1 1546 . 1 1 148 148 ILE CA C 13 60.666 . . 1 . . . . 148 I CA . 25120 1 1547 . 1 1 148 148 ILE CB C 13 39.956 . . 1 . . . . 148 I CB . 25120 1 1548 . 1 1 148 148 ILE CG1 C 13 28.232 . . 1 . . . . 148 I CG1 . 25120 1 1549 . 1 1 148 148 ILE CG2 C 13 17.246 . . 1 . . . . 148 I CG2 . 25120 1 1550 . 1 1 148 148 ILE CD1 C 13 13.337 . . 1 . . . . 148 I CD1 . 25120 1 1551 . 1 1 148 148 ILE N N 15 126.007 . . 1 . . . . 148 I N . 25120 1 1552 . 1 1 149 149 ASP H H 1 9.395 . . 1 . . . . 149 D HN . 25120 1 1553 . 1 1 149 149 ASP HA H 1 5.193 . . 1 . . . . 149 D HA . 25120 1 1554 . 1 1 149 149 ASP HB2 H 1 3.275 . . 2 . . . . 149 D HB2 . 25120 1 1555 . 1 1 149 149 ASP HB3 H 1 2.805 . . 2 . . . . 149 D HB3 . 25120 1 1556 . 1 1 149 149 ASP C C 13 175.405 . . 1 . . . . 149 D C . 25120 1 1557 . 1 1 149 149 ASP CA C 13 52.586 . . 1 . . . . 149 D CA . 25120 1 1558 . 1 1 149 149 ASP CB C 13 41.844 . . 1 . . . . 149 D CB . 25120 1 1559 . 1 1 149 149 ASP N N 15 129.221 . . 1 . . . . 149 D N . 25120 1 1560 . 1 1 150 150 TYR H H 1 8.408 . . 1 . . . . 150 Y HN . 25120 1 1561 . 1 1 150 150 TYR HA H 1 3.400 . . 1 . . . . 150 Y HA . 25120 1 1562 . 1 1 150 150 TYR HB2 H 1 2.136 . . 2 . . . . 150 Y HB2 . 25120 1 1563 . 1 1 150 150 TYR HB3 H 1 2.456 . . 2 . . . . 150 Y HB3 . 25120 1 1564 . 1 1 150 150 TYR HD1 H 1 6.353 . . 3 . . . . 150 Y HD1 . 25120 1 1565 . 1 1 150 150 TYR C C 13 176.196 . . 1 . . . . 150 Y C . 25120 1 1566 . 1 1 150 150 TYR CA C 13 62.209 . . 1 . . . . 150 Y CA . 25120 1 1567 . 1 1 150 150 TYR CB C 13 38.058 . . 1 . . . . 150 Y CB . 25120 1 1568 . 1 1 150 150 TYR N N 15 118.645 . . 1 . . . . 150 Y N . 25120 1 1569 . 1 1 151 151 ASP H H 1 7.731 . . 1 . . . . 151 D HN . 25120 1 1570 . 1 1 151 151 ASP HA H 1 4.093 . . 1 . . . . 151 D HA . 25120 1 1571 . 1 1 151 151 ASP HB2 H 1 2.644 . . 2 . . . . 151 D HB2 . 25120 1 1572 . 1 1 151 151 ASP HB3 H 1 2.510 . . 2 . . . . 151 D HB3 . 25120 1 1573 . 1 1 151 151 ASP C C 13 180.671 . . 1 . . . . 151 D C . 25120 1 1574 . 1 1 151 151 ASP CA C 13 57.977 . . 1 . . . . 151 D CA . 25120 1 1575 . 1 1 151 151 ASP CB C 13 40.596 . . 1 . . . . 151 D CB . 25120 1 1576 . 1 1 151 151 ASP N N 15 117.950 . . 1 . . . . 151 D N . 25120 1 1577 . 1 1 152 152 GLU H H 1 8.857 . . 1 . . . . 152 E HN . 25120 1 1578 . 1 1 152 152 GLU HA H 1 4.050 . . 1 . . . . 152 E HA . 25120 1 1579 . 1 1 152 152 GLU HB2 H 1 2.489 . . 2 . . . . 152 E HB2 . 25120 1 1580 . 1 1 152 152 GLU HB3 H 1 2.426 . . 2 . . . . 152 E HB3 . 25120 1 1581 . 1 1 152 152 GLU C C 13 180.235 . . 1 . . . . 152 E C . 25120 1 1582 . 1 1 152 152 GLU CA C 13 58.732 . . 1 . . . . 152 E CA . 25120 1 1583 . 1 1 152 152 GLU CB C 13 29.404 . . 1 . . . . 152 E CB . 25120 1 1584 . 1 1 152 152 GLU N N 15 120.297 . . 1 . . . . 152 E N . 25120 1 1585 . 1 1 153 153 PHE H H 1 9.276 . . 1 . . . . 153 F HN . 25120 1 1586 . 1 1 153 153 PHE HA H 1 4.036 . . 1 . . . . 153 F HA . 25120 1 1587 . 1 1 153 153 PHE HB2 H 1 3.446 . . 2 . . . . 153 F HB2 . 25120 1 1588 . 1 1 153 153 PHE HB3 H 1 3.174 . . 2 . . . . 153 F HB3 . 25120 1 1589 . 1 1 153 153 PHE HD1 H 1 6.883 . . 3 . . . . 153 F HD1 . 25120 1 1590 . 1 1 153 153 PHE C C 13 176.042 . . 1 . . . . 153 F C . 25120 1 1591 . 1 1 153 153 PHE CA C 13 61.773 . . 1 . . . . 153 F CA . 25120 1 1592 . 1 1 153 153 PHE CB C 13 39.804 . . 1 . . . . 153 F CB . 25120 1 1593 . 1 1 153 153 PHE N N 15 124.959 . . 1 . . . . 153 F N . 25120 1 1594 . 1 1 154 154 LEU H H 1 7.841 . . 1 . . . . 154 L HN . 25120 1 1595 . 1 1 154 154 LEU HA H 1 3.686 . . 1 . . . . 154 L HA . 25120 1 1596 . 1 1 154 154 LEU HB2 H 1 1.813 . . 2 . . . . 154 L HB2 . 25120 1 1597 . 1 1 154 154 LEU HB3 H 1 1.300 . . 2 . . . . 154 L HB3 . 25120 1 1598 . 1 1 154 154 LEU HG H 1 1.419 . . 1 . . . . 154 L HG . 25120 1 1599 . 1 1 154 154 LEU HD11 H 1 0.741 . . 2 . . . . 154 L HD11 . 25120 1 1600 . 1 1 154 154 LEU HD12 H 1 0.741 . . 2 . . . . 154 L HD12 . 25120 1 1601 . 1 1 154 154 LEU HD13 H 1 0.741 . . 2 . . . . 154 L HD13 . 25120 1 1602 . 1 1 154 154 LEU HD21 H 1 0.875 . . 2 . . . . 154 L HD21 . 25120 1 1603 . 1 1 154 154 LEU HD22 H 1 0.875 . . 2 . . . . 154 L HD22 . 25120 1 1604 . 1 1 154 154 LEU HD23 H 1 0.875 . . 2 . . . . 154 L HD23 . 25120 1 1605 . 1 1 154 154 LEU C C 13 179.615 . . 1 . . . . 154 L C . 25120 1 1606 . 1 1 154 154 LEU CA C 13 58.073 . . 1 . . . . 154 L CA . 25120 1 1607 . 1 1 154 154 LEU CB C 13 41.472 . . 1 . . . . 154 L CB . 25120 1 1608 . 1 1 154 154 LEU CG C 13 26.267 . . 1 . . . . 154 L CG . 25120 1 1609 . 1 1 154 154 LEU CD1 C 13 23.170 . . 2 . . . . 154 L CD1 . 25120 1 1610 . 1 1 154 154 LEU CD2 C 13 26.013 . . 2 . . . . 154 L CD2 . 25120 1 1611 . 1 1 154 154 LEU N N 15 117.557 . . 1 . . . . 154 L N . 25120 1 1612 . 1 1 155 155 GLU H H 1 6.926 . . 1 . . . . 155 E HN . 25120 1 1613 . 1 1 155 155 GLU HA H 1 4.056 . . 1 . . . . 155 E HA . 25120 1 1614 . 1 1 155 155 GLU HB2 H 1 2.084 . . 2 . . . . 155 E HB2 . 25120 1 1615 . 1 1 155 155 GLU HG2 H 1 2.340 . . 2 . . . . 155 E HG2 . 25120 1 1616 . 1 1 155 155 GLU C C 13 178.437 . . 1 . . . . 155 E C . 25120 1 1617 . 1 1 155 155 GLU CA C 13 58.645 . . 1 . . . . 155 E CA . 25120 1 1618 . 1 1 155 155 GLU CB C 13 29.863 . . 1 . . . . 155 E CB . 25120 1 1619 . 1 1 155 155 GLU CG C 13 36.022 . . 1 . . . . 155 E CG . 25120 1 1620 . 1 1 155 155 GLU N N 15 116.176 . . 1 . . . . 155 E N . 25120 1 1621 . 1 1 156 156 PHE H H 1 8.578 . . 1 . . . . 156 F HN . 25120 1 1622 . 1 1 156 156 PHE HA H 1 4.585 . . 1 . . . . 156 F HA . 25120 1 1623 . 1 1 156 156 PHE HB2 H 1 3.295 . . 2 . . . . 156 F HB2 . 25120 1 1624 . 1 1 156 156 PHE HD1 H 1 7.119 . . 3 . . . . 156 F HD1 . 25120 1 1625 . 1 1 156 156 PHE C C 13 176.431 . . 1 . . . . 156 F C . 25120 1 1626 . 1 1 156 156 PHE CA C 13 58.983 . . 1 . . . . 156 F CA . 25120 1 1627 . 1 1 156 156 PHE CB C 13 40.654 . . 1 . . . . 156 F CB . 25120 1 1628 . 1 1 156 156 PHE N N 15 122.168 . . 1 . . . . 156 F N . 25120 1 1629 . 1 1 157 157 MET H H 1 7.457 . . 1 . . . . 157 M HN . 25120 1 1630 . 1 1 157 157 MET HA H 1 4.358 . . 1 . . . . 157 M HA . 25120 1 1631 . 1 1 157 157 MET HB2 H 1 1.947 . . 2 . . . . 157 M HB2 . 25120 1 1632 . 1 1 157 157 MET HB3 H 1 1.886 . . 2 . . . . 157 M HB3 . 25120 1 1633 . 1 1 157 157 MET HG2 H 1 2.440 . . 2 . . . . 157 M HG2 . 25120 1 1634 . 1 1 157 157 MET HE1 H 1 1.930 . . 1 . . . . 157 M HE1 . 25120 1 1635 . 1 1 157 157 MET HE2 H 1 1.930 . . 1 . . . . 157 M HE2 . 25120 1 1636 . 1 1 157 157 MET HE3 H 1 1.930 . . 1 . . . . 157 M HE3 . 25120 1 1637 . 1 1 157 157 MET C C 13 175.965 . . 1 . . . . 157 M C . 25120 1 1638 . 1 1 157 157 MET CA C 13 52.951 . . 1 . . . . 157 M CA . 25120 1 1639 . 1 1 157 157 MET CB C 13 32.955 . . 1 . . . . 157 M CB . 25120 1 1640 . 1 1 157 157 MET CG C 13 31.767 . . 1 . . . . 157 M CG . 25120 1 1641 . 1 1 157 157 MET CE C 13 17.547 . . 1 . . . . 157 M CE . 25120 1 1642 . 1 1 157 157 MET N N 15 111.893 . . 1 . . . . 157 M N . 25120 1 1643 . 1 1 158 158 LYS H H 1 7.150 . . 1 . . . . 158 K HN . 25120 1 1644 . 1 1 158 158 LYS HA H 1 4.001 . . 1 . . . . 158 K HA . 25120 1 1645 . 1 1 158 158 LYS HB2 H 1 1.989 . . 2 . . . . 158 K HB2 . 25120 1 1646 . 1 1 158 158 LYS HB3 H 1 1.783 . . 2 . . . . 158 K HB3 . 25120 1 1647 . 1 1 158 158 LYS HG2 H 1 1.461 . . 2 . . . . 158 K HG2 . 25120 1 1648 . 1 1 158 158 LYS HE2 H 1 2.973 . . 2 . . . . 158 K HE2 . 25120 1 1649 . 1 1 158 158 LYS C C 13 177.764 . . 1 . . . . 158 K C . 25120 1 1650 . 1 1 158 158 LYS CA C 13 58.563 . . 1 . . . . 158 K CA . 25120 1 1651 . 1 1 158 158 LYS CB C 13 32.129 . . 1 . . . . 158 K CB . 25120 1 1652 . 1 1 158 158 LYS CG C 13 24.562 . . 1 . . . . 158 K CG . 25120 1 1653 . 1 1 158 158 LYS CE C 13 42.170 . . 1 . . . . 158 K CE . 25120 1 1654 . 1 1 158 158 LYS N N 15 123.442 . . 1 . . . . 158 K N . 25120 1 1655 . 1 1 159 159 GLY H H 1 8.729 . . 1 . . . . 159 G HN . 25120 1 1656 . 1 1 159 159 GLY HA2 H 1 3.714 . . 2 . . . . 159 G HA2 . 25120 1 1657 . 1 1 159 159 GLY HA3 H 1 4.009 . . 2 . . . . 159 G HA3 . 25120 1 1658 . 1 1 159 159 GLY C C 13 173.635 . . 1 . . . . 159 G C . 25120 1 1659 . 1 1 159 159 GLY CA C 13 45.390 . . 1 . . . . 159 G CA . 25120 1 1660 . 1 1 159 159 GLY N N 15 112.710 . . 1 . . . . 159 G N . 25120 1 1661 . 1 1 160 160 VAL H H 1 7.427 . . 1 . . . . 160 V HN . 25120 1 1662 . 1 1 160 160 VAL HA H 1 3.818 . . 1 . . . . 160 V HA . 25120 1 1663 . 1 1 160 160 VAL HB H 1 1.983 . . 1 . . . . 160 V HB . 25120 1 1664 . 1 1 160 160 VAL HG11 H 1 0.688 . . 2 . . . . 160 V HG11 . 25120 1 1665 . 1 1 160 160 VAL HG12 H 1 0.688 . . 2 . . . . 160 V HG12 . 25120 1 1666 . 1 1 160 160 VAL HG13 H 1 0.688 . . 2 . . . . 160 V HG13 . 25120 1 1667 . 1 1 160 160 VAL HG21 H 1 0.867 . . 2 . . . . 160 V HG21 . 25120 1 1668 . 1 1 160 160 VAL HG22 H 1 0.867 . . 2 . . . . 160 V HG22 . 25120 1 1669 . 1 1 160 160 VAL HG23 H 1 0.867 . . 2 . . . . 160 V HG23 . 25120 1 1670 . 1 1 160 160 VAL C C 13 174.643 . . 1 . . . . 160 V C . 25120 1 1671 . 1 1 160 160 VAL CA C 13 63.044 . . 1 . . . . 160 V CA . 25120 1 1672 . 1 1 160 160 VAL CB C 13 31.907 . . 1 . . . . 160 V CB . 25120 1 1673 . 1 1 160 160 VAL CG1 C 13 21.919 . . 2 . . . . 160 V CG1 . 25120 1 1674 . 1 1 160 160 VAL CG2 C 13 22.016 . . 2 . . . . 160 V CG2 . 25120 1 1675 . 1 1 160 160 VAL N N 15 120.788 . . 1 . . . . 160 V N . 25120 1 1676 . 1 1 161 161 GLU H H 1 7.819 . . 1 . . . . 161 E HN . 25120 1 1677 . 1 1 161 161 GLU HA H 1 4.139 . . 1 . . . . 161 E HA . 25120 1 1678 . 1 1 161 161 GLU HB2 H 1 1.932 . . 2 . . . . 161 E HB2 . 25120 1 1679 . 1 1 161 161 GLU HB3 H 1 2.106 . . 2 . . . . 161 E HB3 . 25120 1 1680 . 1 1 161 161 GLU HG2 H 1 2.163 . . 2 . . . . 161 E HG2 . 25120 1 1681 . 1 1 161 161 GLU C C 13 180.349 . . 1 . . . . 161 E C . 25120 1 1682 . 1 1 161 161 GLU CA C 13 57.754 . . 1 . . . . 161 E CA . 25120 1 1683 . 1 1 161 161 GLU CB C 13 29.193 . . 1 . . . . 161 E CB . 25120 1 1684 . 1 1 161 161 GLU CG C 13 36.401 . . 1 . . . . 161 E CG . 25120 1 1685 . 1 1 161 161 GLU N N 15 129.478 . . 1 . . . . 161 E N . 25120 1 stop_ save_