data_6597 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6597 _Entry.Title ; Human ARNT C-terminal PAS domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-04-14 _Entry.Accession_date 2005-04-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 P. Card . C. . 6597 2 J. Erbel . A. . 6597 3 K. Gardner . H. . 6597 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6597 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 862 6597 '13C chemical shifts' 545 6597 '15N chemical shifts' 133 6597 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 . . 2006-01-11 . update author 'correction of chemical shift' 6597 2 . . 2005-10-31 . original author 'original release' 6597 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6597 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16181639 _Citation.Full_citation . _Citation.Title ; Structural Basis of ARNT PAS-B Dimerization: Use of a Common Beta-sheet Interface for Hetero- and Homodimerization. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 353 _Citation.Journal_issue 3 _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 664 _Citation.Page_last 677 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 P. Card . B. . 6597 1 2 P. Erbel . J. . 6597 1 3 K. Gardner . H. . 6597 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID PAS 6597 1 'mixed alpha-beta fold' 6597 1 hypoxia 6597 1 'aryl hydrocarbon receptor nuclear translocator' 6597 1 ARNT 6597 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_hARNT _Assembly.Sf_category assembly _Assembly.Sf_framecode system_hARNT _Assembly.Entry_ID 6597 _Assembly.ID 1 _Assembly.Name 'Aryl hydrocarbon receptor nuclear translocator' _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6597 1 stop_ 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 'Aryl hydrocarbon receptor nuclear translocator' 1 $hARNT . . . native . . . . . 6597 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Aryl hydrocarbon receptor nuclear translocator' system 6597 1 hARNT abbreviation 6597 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hARNT _Entity.Sf_category entity _Entity.Sf_framecode hARNT _Entity.Entry_ID 6597 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hARNT _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 ; GAMDNVCQPTEFISRHNIEG IFTFVDHRCVATVGYQPQEL LGKNIVEFCHPEDQQLLRDS FQQVVKLKGQVLSVMFRFRS KNQEWLWMRTSSFTFQNPYS DEIEYIICTNTNVKNSSQE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _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 2015-01-28 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 15928 . ARNT_PAS-B_Slipped_IB_Strand . . . . . 100.00 119 97.48 97.48 1.32e-79 . . . . 6597 1 2 no PDB 1X0O . "Human Arnt C-Terminal Pas Domain" . . . . . 100.00 119 100.00 100.00 6.32e-83 . . . . 6597 1 3 no PDB 2A24 . "Haddock Structure Of Hif-2aARNT PAS-B Heterodimer" . . . . . 90.76 108 100.00 100.00 2.75e-74 . . . . 6597 1 4 no PDB 2HV1 . "Haddock Structure Of Arnt Pas-B Homodimer" . . . . . 100.00 119 100.00 100.00 6.32e-83 . . . . 6597 1 5 no PDB 2K7S . "Human Arnt C-Terminal Pas Domain, 3 Residue Ib Slip" . . . . . 100.00 119 97.48 97.48 1.32e-79 . . . . 6597 1 6 no PDB 3F1N . "Crystal Structure Of A High Affinity Heterodimer Of Hif2 Alpha And Arnt C-Terminal Pas Domains, With Internally Bound Ethylene " . . . . . 96.64 121 99.13 99.13 1.83e-78 . . . . 6597 1 7 no PDB 3F1O . "Crystal Structure Of The High Affinity Heterodimer Of Hif2 Alpha And Arnt C-Terminal Pas Domains, With An Internally- Bound Art" . . . . . 96.64 121 99.13 99.13 1.83e-78 . . . . 6597 1 8 no PDB 3F1P . "Crystal Structure Of A High Affinity Heterodimer Of Hif2 Alpha And Arnt C-Terminal Pas Domains" . . . . . 96.64 121 99.13 99.13 1.83e-78 . . . . 6597 1 9 no PDB 3H7W . "Crystal Structure Of The High Affinity Heterodimer Of Hif2 Alpha And Arnt C-Terminal Pas Domains With The Artificial Ligand Ths" . . . . . 96.64 121 99.13 99.13 1.83e-78 . . . . 6597 1 10 no PDB 3H82 . "Crystal Structure Of The High Affinity Heterodimer Of Hif2 Alpha And Arnt C-Terminal Pas Domains With The Artificial Ligand Ths" . . . . . 96.64 121 99.13 99.13 1.83e-78 . . . . 6597 1 11 no PDB 4EQ1 . "Crystal Structure Of The Arnt Pas-b Homodimer" . . . . . 91.60 109 99.08 99.08 4.15e-74 . . . . 6597 1 12 no PDB 4GHI . "Crystal Structure Of The High Affinity Heterodimer Of Hif2 Alpha And Arnt C-terminal Pas Domains In Complex With A Benzoxadiazo" . . . . . 96.64 121 99.13 99.13 1.83e-78 . . . . 6597 1 13 no PDB 4GS9 . "Crystal Structure Of The High Affinity Heterodimer Of Hif2 Alpha And Arnt C-terminal Pas Domains In Complex With An Inactive Be" . . . . . 96.64 121 99.13 99.13 1.83e-78 . . . . 6597 1 14 no PDB 4H6J . "Identification Of Cys 255 In Hif-1 As A Novel Site For Development Of Covalent Inhibitors Of Hif-1 /arnt Pasb Domain Protein-pr" . . . . . 96.64 116 98.26 99.13 7.84e-78 . . . . 6597 1 15 no PDB 4LPZ . "Arnt Transcription Factor/coactivator Complex" . . . . . 100.00 119 100.00 100.00 6.32e-83 . . . . 6597 1 16 no DBJ BAA19931 . "Arnt [Oryctolagus cuniculus]" . . . . . 98.32 790 97.44 98.29 1.84e-74 . . . . 6597 1 17 no DBJ BAB40668 . "Aryl hydrocarbon receptor nuclear translocator [Bos taurus]" . . . . . 98.32 790 97.44 99.15 1.22e-74 . . . . 6597 1 18 no DBJ BAD93114 . "aryl hydrocarbon receptor nuclear translocator isoform 1 variant [Homo sapiens]" . . . . . 98.32 791 99.15 99.15 4.89e-76 . . . . 6597 1 19 no DBJ BAE16957 . "aryl hydrocarbon receptor nuclear translocator [Phoca sibirica]" . . . . . 98.32 786 98.29 99.15 2.39e-75 . . . . 6597 1 20 no DBJ BAF02595 . "aryl hydrocarbon receptor nuclear translocater [Mesocricetus auratus]" . . . . . 98.32 778 97.44 99.15 6.15e-75 . . . . 6597 1 21 no EMBL CAC21446 . "aryl hydrocarbon receptor nuclear translocator, ARNT [Homo sapiens]" . . . . . 98.32 789 99.15 99.15 7.05e-76 . . . . 6597 1 22 no EMBL CAD38953 . "hypothetical protein [Homo sapiens]" . . . . . 98.32 849 99.15 99.15 3.35e-75 . . . . 6597 1 23 no EMBL CAH90519 . "hypothetical protein [Pongo abelii]" . . . . . 98.32 789 97.44 99.15 5.17e-75 . . . . 6597 1 24 no EMBL CCV01219 . "aryl-hydrocarbon receptor nuclear translocator [Ovis aries]" . . . . . 98.32 790 97.44 99.15 3.73e-75 . . . . 6597 1 25 no GB AAA51777 . "Arnt [Homo sapiens]" . . . . . 98.32 789 99.15 99.15 7.05e-76 . . . . 6597 1 26 no GB AAQ96598 . "aryl hydrocarbon receptor nuclear translocator [Homo sapiens]" . . . . . 98.32 789 99.15 99.15 7.05e-76 . . . . 6597 1 27 no GB ABG67008 . "aryl hydrocarbon receptor nuclear translocator [Bos taurus]" . . . . . 98.32 590 98.29 99.15 1.88e-76 . . . . 6597 1 28 no GB EAW53510 . "aryl hydrocarbon receptor nuclear translocator, isoform CRA_a [Homo sapiens]" . . . . . 98.32 789 99.15 99.15 7.05e-76 . . . . 6597 1 29 no GB EAW53511 . "aryl hydrocarbon receptor nuclear translocator, isoform CRA_b [Homo sapiens]" . . . . . 98.32 774 99.15 99.15 5.67e-76 . . . . 6597 1 30 no REF NP_001075675 . "aryl hydrocarbon receptor nuclear translocator [Oryctolagus cuniculus]" . . . . . 98.32 790 97.44 98.29 1.84e-74 . . . . 6597 1 31 no REF NP_001125275 . "aryl hydrocarbon receptor nuclear translocator [Pongo abelii]" . . . . . 98.32 789 97.44 99.15 5.17e-75 . . . . 6597 1 32 no REF NP_001166569 . "aryl hydrocarbon receptor nuclear translocator [Cavia porcellus]" . . . . . 98.32 790 97.44 98.29 1.25e-74 . . . . 6597 1 33 no REF NP_001184254 . "aryl hydrocarbon receptor nuclear translocator isoform 4 [Homo sapiens]" . . . . . 98.32 773 99.15 99.15 5.59e-76 . . . . 6597 1 34 no REF NP_001268346 . "aryl hydrocarbon receptor nuclear translocator [Mesocricetus auratus]" . . . . . 98.32 778 97.44 99.15 6.15e-75 . . . . 6597 1 35 no SP O02748 . "RecName: Full=Aryl hydrocarbon receptor nuclear translocator; Short=ARNT protein; AltName: Full=Dioxin receptor, nuclear transl" . . . . . 98.32 790 97.44 98.29 1.84e-74 . . . . 6597 1 36 no SP P27540 . "RecName: Full=Aryl hydrocarbon receptor nuclear translocator; Short=ARNT protein; AltName: Full=Class E basic helix-loop-helix " . . . . . 98.32 789 99.15 99.15 7.05e-76 . . . . 6597 1 37 no SP Q9BE97 . "RecName: Full=Aryl hydrocarbon receptor nuclear translocator; Short=ARNT protein [Bos taurus]" . . . . . 98.32 790 97.44 99.15 1.22e-74 . . . . 6597 1 38 no TPG DAA31641 . "TPA: aryl hydrocarbon receptor nuclear translocator [Bos taurus]" . . . . . 98.32 782 97.44 99.15 1.18e-74 . . . . 6597 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID hARNT common 6597 1 hARNT abbreviation 6597 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 . GLY . 6597 1 2 . ALA . 6597 1 3 . MET . 6597 1 4 . ASP . 6597 1 5 . ASN . 6597 1 6 . VAL . 6597 1 7 . CYS . 6597 1 8 . GLN . 6597 1 9 . PRO . 6597 1 10 . THR . 6597 1 11 . GLU . 6597 1 12 . PHE . 6597 1 13 . ILE . 6597 1 14 . SER . 6597 1 15 . ARG . 6597 1 16 . HIS . 6597 1 17 . ASN . 6597 1 18 . ILE . 6597 1 19 . GLU . 6597 1 20 . GLY . 6597 1 21 . ILE . 6597 1 22 . PHE . 6597 1 23 . THR . 6597 1 24 . PHE . 6597 1 25 . VAL . 6597 1 26 . ASP . 6597 1 27 . HIS . 6597 1 28 . ARG . 6597 1 29 . CYS . 6597 1 30 . VAL . 6597 1 31 . ALA . 6597 1 32 . THR . 6597 1 33 . VAL . 6597 1 34 . GLY . 6597 1 35 . TYR . 6597 1 36 . GLN . 6597 1 37 . PRO . 6597 1 38 . GLN . 6597 1 39 . GLU . 6597 1 40 . LEU . 6597 1 41 . LEU . 6597 1 42 . GLY . 6597 1 43 . LYS . 6597 1 44 . ASN . 6597 1 45 . ILE . 6597 1 46 . VAL . 6597 1 47 . GLU . 6597 1 48 . PHE . 6597 1 49 . CYS . 6597 1 50 . HIS . 6597 1 51 . PRO . 6597 1 52 . GLU . 6597 1 53 . ASP . 6597 1 54 . GLN . 6597 1 55 . GLN . 6597 1 56 . LEU . 6597 1 57 . LEU . 6597 1 58 . ARG . 6597 1 59 . ASP . 6597 1 60 . SER . 6597 1 61 . PHE . 6597 1 62 . GLN . 6597 1 63 . GLN . 6597 1 64 . VAL . 6597 1 65 . VAL . 6597 1 66 . LYS . 6597 1 67 . LEU . 6597 1 68 . LYS . 6597 1 69 . GLY . 6597 1 70 . GLN . 6597 1 71 . VAL . 6597 1 72 . LEU . 6597 1 73 . SER . 6597 1 74 . VAL . 6597 1 75 . MET . 6597 1 76 . PHE . 6597 1 77 . ARG . 6597 1 78 . PHE . 6597 1 79 . ARG . 6597 1 80 . SER . 6597 1 81 . LYS . 6597 1 82 . ASN . 6597 1 83 . GLN . 6597 1 84 . GLU . 6597 1 85 . TRP . 6597 1 86 . LEU . 6597 1 87 . TRP . 6597 1 88 . MET . 6597 1 89 . ARG . 6597 1 90 . THR . 6597 1 91 . SER . 6597 1 92 . SER . 6597 1 93 . PHE . 6597 1 94 . THR . 6597 1 95 . PHE . 6597 1 96 . GLN . 6597 1 97 . ASN . 6597 1 98 . PRO . 6597 1 99 . TYR . 6597 1 100 . SER . 6597 1 101 . ASP . 6597 1 102 . GLU . 6597 1 103 . ILE . 6597 1 104 . GLU . 6597 1 105 . TYR . 6597 1 106 . ILE . 6597 1 107 . ILE . 6597 1 108 . CYS . 6597 1 109 . THR . 6597 1 110 . ASN . 6597 1 111 . THR . 6597 1 112 . ASN . 6597 1 113 . VAL . 6597 1 114 . LYS . 6597 1 115 . ASN . 6597 1 116 . SER . 6597 1 117 . SER . 6597 1 118 . GLN . 6597 1 119 . GLU . 6597 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6597 1 . ALA 2 2 6597 1 . MET 3 3 6597 1 . ASP 4 4 6597 1 . ASN 5 5 6597 1 . VAL 6 6 6597 1 . CYS 7 7 6597 1 . GLN 8 8 6597 1 . PRO 9 9 6597 1 . THR 10 10 6597 1 . GLU 11 11 6597 1 . PHE 12 12 6597 1 . ILE 13 13 6597 1 . SER 14 14 6597 1 . ARG 15 15 6597 1 . HIS 16 16 6597 1 . ASN 17 17 6597 1 . ILE 18 18 6597 1 . GLU 19 19 6597 1 . GLY 20 20 6597 1 . ILE 21 21 6597 1 . PHE 22 22 6597 1 . THR 23 23 6597 1 . PHE 24 24 6597 1 . VAL 25 25 6597 1 . ASP 26 26 6597 1 . HIS 27 27 6597 1 . ARG 28 28 6597 1 . CYS 29 29 6597 1 . VAL 30 30 6597 1 . ALA 31 31 6597 1 . THR 32 32 6597 1 . VAL 33 33 6597 1 . GLY 34 34 6597 1 . TYR 35 35 6597 1 . GLN 36 36 6597 1 . PRO 37 37 6597 1 . GLN 38 38 6597 1 . GLU 39 39 6597 1 . LEU 40 40 6597 1 . LEU 41 41 6597 1 . GLY 42 42 6597 1 . LYS 43 43 6597 1 . ASN 44 44 6597 1 . ILE 45 45 6597 1 . VAL 46 46 6597 1 . GLU 47 47 6597 1 . PHE 48 48 6597 1 . CYS 49 49 6597 1 . HIS 50 50 6597 1 . PRO 51 51 6597 1 . GLU 52 52 6597 1 . ASP 53 53 6597 1 . GLN 54 54 6597 1 . GLN 55 55 6597 1 . LEU 56 56 6597 1 . LEU 57 57 6597 1 . ARG 58 58 6597 1 . ASP 59 59 6597 1 . SER 60 60 6597 1 . PHE 61 61 6597 1 . GLN 62 62 6597 1 . GLN 63 63 6597 1 . VAL 64 64 6597 1 . VAL 65 65 6597 1 . LYS 66 66 6597 1 . LEU 67 67 6597 1 . LYS 68 68 6597 1 . GLY 69 69 6597 1 . GLN 70 70 6597 1 . VAL 71 71 6597 1 . LEU 72 72 6597 1 . SER 73 73 6597 1 . VAL 74 74 6597 1 . MET 75 75 6597 1 . PHE 76 76 6597 1 . ARG 77 77 6597 1 . PHE 78 78 6597 1 . ARG 79 79 6597 1 . SER 80 80 6597 1 . LYS 81 81 6597 1 . ASN 82 82 6597 1 . GLN 83 83 6597 1 . GLU 84 84 6597 1 . TRP 85 85 6597 1 . LEU 86 86 6597 1 . TRP 87 87 6597 1 . MET 88 88 6597 1 . ARG 89 89 6597 1 . THR 90 90 6597 1 . SER 91 91 6597 1 . SER 92 92 6597 1 . PHE 93 93 6597 1 . THR 94 94 6597 1 . PHE 95 95 6597 1 . GLN 96 96 6597 1 . ASN 97 97 6597 1 . PRO 98 98 6597 1 . TYR 99 99 6597 1 . SER 100 100 6597 1 . ASP 101 101 6597 1 . GLU 102 102 6597 1 . ILE 103 103 6597 1 . GLU 104 104 6597 1 . TYR 105 105 6597 1 . ILE 106 106 6597 1 . ILE 107 107 6597 1 . CYS 108 108 6597 1 . THR 109 109 6597 1 . ASN 110 110 6597 1 . THR 111 111 6597 1 . ASN 112 112 6597 1 . VAL 113 113 6597 1 . LYS 114 114 6597 1 . ASN 115 115 6597 1 . SER 116 116 6597 1 . SER 117 117 6597 1 . GLN 118 118 6597 1 . GLU 119 119 6597 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 6597 _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 $hARNT . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6597 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 6597 _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 $hARNT . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . . . . . . . . . . . 6597 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6597 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 hARNT '[U-15N; U-13C]' . . 1 $hARNT . . 1 . . mM . . . . 6597 1 2 'Tris buffer' . . . . . . . 50 . . mM . . . . 6597 1 3 NaCl . . . . . . . 17 . . mM . . . . 6597 1 4 DTT . . . . . . . 5 . . mM . . . . 6597 1 5 H2O . . . . . . . 90 . . % . . . . 6597 1 6 D2O . . . . . . . 10 . . % . . . . 6597 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6597 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 hARNT [U-15N] . . 1 $hARNT . . 0.478 . . mM . . . . 6597 2 2 'Tris buffer' . . . . . . . 50 . . mM . . . . 6597 2 3 NaCl . . . . . . . 17 . . mM . . . . 6597 2 4 DTT . . . . . . . 5 . . mM . . . . 6597 2 5 H2O . . . . . . . 93 . . % . . . . 6597 2 6 D2O . . . . . . . 7 . . % . . . . 6597 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6597 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 6597 1 temperature 298 . K 6597 1 'ionic strength' 17 . mM 6597 1 pressure 1 . atm 6597 1 stop_ save_ save_sample_cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_2 _Sample_condition_list.Entry_ID 6597 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.6 . pH 6597 2 temperature 310 . K 6597 2 'ionic strength' 17 . mM 6597 2 pressure 1 . atm 6597 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6597 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details Delaglio loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6597 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 6597 _Software.ID 2 _Software.Name NMRView _Software.Version 5.2.2 _Software.Details Johnson loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6597 2 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 6597 _Software.ID 3 _Software.Name ARIA _Software.Version 1.2 _Software.Details Nilges loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6597 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 6597 _Software.ID 4 _Software.Name CNS _Software.Version 1.1 _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6597 4 refinement 6597 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6597 _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_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6597 _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 NMR_spectrometer Varian INOVA . 600 . . . 6597 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 6597 _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 15N 13C-seperated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6597 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6597 1 3 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6597 1 4 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6597 1 5 '3D CBCACONH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6597 1 6 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6597 1 7 '3D 15N-seperated TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6597 1 8 '3D HCCH TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6597 1 9 HBCBCGCDHD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6597 1 10 'IPAP HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6597 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6597 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N 13C-seperated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6597 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6597 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6597 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6597 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D CBCACONH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6597 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6597 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D 15N-seperated TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6597 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HCCH TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6597 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HBCBCGCDHD _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6597 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 'IPAP HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6597 _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 0.0 external indirect 1.000000000 . . . . . . . . . 6597 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 . . . . . . . . . 6597 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . . . . . 6597 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6597 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 15N 13C-seperated NOESY' . . . 6597 1 2 '3D 15N-separated NOESY' . . . 6597 1 3 HNHA . . . 6597 1 4 '3D HNCACB' . . . 6597 1 5 '3D CBCACONH' . . . 6597 1 6 '3D HNCO' . . . 6597 1 7 '3D 15N-seperated TOCSY' . . . 6597 1 8 '3D HCCH TOCSY' . . . 6597 1 9 HBCBCGCDHD . . . 6597 1 10 'IPAP HSQC' . . . 6597 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 ALA HA H 1 3.869 0.01 . 1 . . . . . . . . 6597 1 2 . 1 1 2 2 ALA HB1 H 1 1.400 0.01 . 1 . . . . . . . . 6597 1 3 . 1 1 2 2 ALA HB2 H 1 1.400 0.01 . 1 . . . . . . . . 6597 1 4 . 1 1 2 2 ALA HB3 H 1 1.400 0.01 . 1 . . . . . . . . 6597 1 5 . 1 1 2 2 ALA C C 13 178.318 0.25 . 1 . . . . . . . . 6597 1 6 . 1 1 2 2 ALA CA C 13 53.513 0.25 . 1 . . . . . . . . 6597 1 7 . 1 1 2 2 ALA CB C 13 19.316 0.25 . 1 . . . . . . . . 6597 1 8 . 1 1 3 3 MET H H 1 8.525 0.01 . 1 . . . . . . . . 6597 1 9 . 1 1 3 3 MET HA H 1 4.513 0.01 . 1 . . . . . . . . 6597 1 10 . 1 1 3 3 MET HB2 H 1 2.118 0.01 . 2 . . . . . . . . 6597 1 11 . 1 1 3 3 MET HB3 H 1 1.962 0.01 . 2 . . . . . . . . 6597 1 12 . 1 1 3 3 MET HG2 H 1 2.570 0.01 . 2 . . . . . . . . 6597 1 13 . 1 1 3 3 MET HG3 H 1 2.460 0.01 . 2 . . . . . . . . 6597 1 14 . 1 1 3 3 MET C C 13 176.175 0.25 . 1 . . . . . . . . 6597 1 15 . 1 1 3 3 MET CA C 13 55.300 0.25 . 1 . . . . . . . . 6597 1 16 . 1 1 3 3 MET CB C 13 32.340 0.25 . 1 . . . . . . . . 6597 1 17 . 1 1 3 3 MET CG C 13 32.309 0.25 . 1 . . . . . . . . 6597 1 18 . 1 1 3 3 MET N N 15 117.552 0.15 . 1 . . . . . . . . 6597 1 19 . 1 1 4 4 ASP H H 1 8.002 0.01 . 1 . . . . . . . . 6597 1 20 . 1 1 4 4 ASP HA H 1 4.536 0.01 . 1 . . . . . . . . 6597 1 21 . 1 1 4 4 ASP HB2 H 1 2.857 0.01 . 2 . . . . . . . . 6597 1 22 . 1 1 4 4 ASP HB3 H 1 2.646 0.01 . 2 . . . . . . . . 6597 1 23 . 1 1 4 4 ASP C C 13 175.993 0.25 . 1 . . . . . . . . 6597 1 24 . 1 1 4 4 ASP CA C 13 54.815 0.25 . 1 . . . . . . . . 6597 1 25 . 1 1 4 4 ASP CB C 13 41.201 0.25 . 1 . . . . . . . . 6597 1 26 . 1 1 4 4 ASP N N 15 120.405 0.15 . 1 . . . . . . . . 6597 1 27 . 1 1 5 5 ASN H H 1 8.326 0.01 . 1 . . . . . . . . 6597 1 28 . 1 1 5 5 ASN HA H 1 4.706 0.01 . 1 . . . . . . . . 6597 1 29 . 1 1 5 5 ASN HB2 H 1 2.835 0.01 . 2 . . . . . . . . 6597 1 30 . 1 1 5 5 ASN HB3 H 1 2.750 0.01 . 2 . . . . . . . . 6597 1 31 . 1 1 5 5 ASN HD21 H 1 7.568 0.01 . 2 . . . . . . . . 6597 1 32 . 1 1 5 5 ASN HD22 H 1 6.930 0.01 . 2 . . . . . . . . 6597 1 33 . 1 1 5 5 ASN C C 13 175.139 0.25 . 1 . . . . . . . . 6597 1 34 . 1 1 5 5 ASN CA C 13 53.413 0.25 . 1 . . . . . . . . 6597 1 35 . 1 1 5 5 ASN CB C 13 38.870 0.25 . 1 . . . . . . . . 6597 1 36 . 1 1 5 5 ASN CG C 13 177.262 0.25 . 1 . . . . . . . . 6597 1 37 . 1 1 5 5 ASN N N 15 118.299 0.15 . 1 . . . . . . . . 6597 1 38 . 1 1 5 5 ASN ND2 N 15 112.208 0.15 . 1 . . . . . . . . 6597 1 39 . 1 1 6 6 VAL H H 1 7.984 0.01 . 1 . . . . . . . . 6597 1 40 . 1 1 6 6 VAL HA H 1 4.119 0.01 . 1 . . . . . . . . 6597 1 41 . 1 1 6 6 VAL HB H 1 2.102 0.01 . 1 . . . . . . . . 6597 1 42 . 1 1 6 6 VAL HG11 H 1 0.924 0.01 . 2 . . . . . . . . 6597 1 43 . 1 1 6 6 VAL HG12 H 1 0.924 0.01 . 2 . . . . . . . . 6597 1 44 . 1 1 6 6 VAL HG13 H 1 0.924 0.01 . 2 . . . . . . . . 6597 1 45 . 1 1 6 6 VAL HG21 H 1 0.935 0.01 . 2 . . . . . . . . 6597 1 46 . 1 1 6 6 VAL HG22 H 1 0.935 0.01 . 2 . . . . . . . . 6597 1 47 . 1 1 6 6 VAL HG23 H 1 0.935 0.01 . 2 . . . . . . . . 6597 1 48 . 1 1 6 6 VAL C C 13 176.091 0.25 . 1 . . . . . . . . 6597 1 49 . 1 1 6 6 VAL CA C 13 62.580 0.25 . 1 . . . . . . . . 6597 1 50 . 1 1 6 6 VAL CB C 13 32.690 0.25 . 1 . . . . . . . . 6597 1 51 . 1 1 6 6 VAL CG1 C 13 21.560 0.25 . 1 . . . . . . . . 6597 1 52 . 1 1 6 6 VAL CG2 C 13 20.776 0.25 . 1 . . . . . . . . 6597 1 53 . 1 1 6 6 VAL N N 15 119.902 0.15 . 1 . . . . . . . . 6597 1 54 . 1 1 7 7 CYS H H 1 8.426 0.01 . 1 . . . . . . . . 6597 1 55 . 1 1 7 7 CYS HA H 1 4.481 0.01 . 1 . . . . . . . . 6597 1 56 . 1 1 7 7 CYS HB2 H 1 2.919 0.01 . 2 . . . . . . . . 6597 1 57 . 1 1 7 7 CYS HB3 H 1 2.876 0.01 . 2 . . . . . . . . 6597 1 58 . 1 1 7 7 CYS C C 13 174.298 0.25 . 1 . . . . . . . . 6597 1 59 . 1 1 7 7 CYS CA C 13 58.633 0.25 . 1 . . . . . . . . 6597 1 60 . 1 1 7 7 CYS CB C 13 27.985 0.25 . 1 . . . . . . . . 6597 1 61 . 1 1 7 7 CYS N N 15 123.004 0.15 . 1 . . . . . . . . 6597 1 62 . 1 1 8 8 GLN H H 1 8.470 0.01 . 1 . . . . . . . . 6597 1 63 . 1 1 8 8 GLN HA H 1 4.631 0.01 . 1 . . . . . . . . 6597 1 64 . 1 1 8 8 GLN HB2 H 1 2.088 0.01 . 2 . . . . . . . . 6597 1 65 . 1 1 8 8 GLN HB3 H 1 1.937 0.01 . 2 . . . . . . . . 6597 1 66 . 1 1 8 8 GLN HG2 H 1 2.393 0.01 . 1 . . . . . . . . 6597 1 67 . 1 1 8 8 GLN HG3 H 1 2.393 0.01 . 1 . . . . . . . . 6597 1 68 . 1 1 8 8 GLN HE21 H 1 7.545 0.01 . 2 . . . . . . . . 6597 1 69 . 1 1 8 8 GLN HE22 H 1 6.853 0.01 . 2 . . . . . . . . 6597 1 70 . 1 1 8 8 GLN CA C 13 53.745 0.25 . 1 . . . . . . . . 6597 1 71 . 1 1 8 8 GLN CB C 13 29.011 0.25 . 1 . . . . . . . . 6597 1 72 . 1 1 8 8 GLN CG C 13 33.425 0.25 . 1 . . . . . . . . 6597 1 73 . 1 1 8 8 GLN CD C 13 180.389 0.25 . 1 . . . . . . . . 6597 1 74 . 1 1 8 8 GLN N N 15 124.211 0.15 . 1 . . . . . . . . 6597 1 75 . 1 1 8 8 GLN NE2 N 15 111.900 0.15 . 1 . . . . . . . . 6597 1 76 . 1 1 9 9 PRO HA H 1 4.580 0.01 . 1 . . . . . . . . 6597 1 77 . 1 1 9 9 PRO HB2 H 1 2.342 0.01 . 2 . . . . . . . . 6597 1 78 . 1 1 9 9 PRO HB3 H 1 1.914 0.01 . 2 . . . . . . . . 6597 1 79 . 1 1 9 9 PRO HG2 H 1 2.045 0.01 . 1 . . . . . . . . 6597 1 80 . 1 1 9 9 PRO HG3 H 1 2.045 0.01 . 1 . . . . . . . . 6597 1 81 . 1 1 9 9 PRO HD2 H 1 3.814 0.01 . 2 . . . . . . . . 6597 1 82 . 1 1 9 9 PRO HD3 H 1 3.644 0.01 . 2 . . . . . . . . 6597 1 83 . 1 1 9 9 PRO C C 13 176.567 0.25 . 1 . . . . . . . . 6597 1 84 . 1 1 9 9 PRO CA C 13 63.235 0.25 . 1 . . . . . . . . 6597 1 85 . 1 1 9 9 PRO CB C 13 32.646 0.25 . 1 . . . . . . . . 6597 1 86 . 1 1 9 9 PRO CG C 13 27.694 0.25 . 1 . . . . . . . . 6597 1 87 . 1 1 9 9 PRO CD C 13 50.774 0.25 . 1 . . . . . . . . 6597 1 88 . 1 1 10 10 THR H H 1 8.553 0.01 . 1 . . . . . . . . 6597 1 89 . 1 1 10 10 THR HA H 1 4.435 0.01 . 1 . . . . . . . . 6597 1 90 . 1 1 10 10 THR HB H 1 4.487 0.01 . 1 . . . . . . . . 6597 1 91 . 1 1 10 10 THR HG21 H 1 1.249 0.01 . 1 . . . . . . . . 6597 1 92 . 1 1 10 10 THR HG22 H 1 1.249 0.01 . 1 . . . . . . . . 6597 1 93 . 1 1 10 10 THR HG23 H 1 1.249 0.01 . 1 . . . . . . . . 6597 1 94 . 1 1 10 10 THR C C 13 172.645 0.25 . 1 . . . . . . . . 6597 1 95 . 1 1 10 10 THR CA C 13 61.253 0.25 . 1 . . . . . . . . 6597 1 96 . 1 1 10 10 THR CB C 13 69.709 0.25 . 1 . . . . . . . . 6597 1 97 . 1 1 10 10 THR CG2 C 13 22.286 0.25 . 1 . . . . . . . . 6597 1 98 . 1 1 10 10 THR N N 15 113.571 0.15 . 1 . . . . . . . . 6597 1 99 . 1 1 11 11 GLU H H 1 7.746 0.01 . 1 . . . . . . . . 6597 1 100 . 1 1 11 11 GLU HA H 1 5.557 0.01 . 1 . . . . . . . . 6597 1 101 . 1 1 11 11 GLU HB2 H 1 1.989 0.01 . 2 . . . . . . . . 6597 1 102 . 1 1 11 11 GLU HB3 H 1 1.940 0.01 . 2 . . . . . . . . 6597 1 103 . 1 1 11 11 GLU HG2 H 1 1.747 0.01 . 1 . . . . . . . . 6597 1 104 . 1 1 11 11 GLU HG3 H 1 1.747 0.01 . 1 . . . . . . . . 6597 1 105 . 1 1 11 11 GLU C C 13 173.261 0.25 . 1 . . . . . . . . 6597 1 106 . 1 1 11 11 GLU CA C 13 53.863 0.25 . 1 . . . . . . . . 6597 1 107 . 1 1 11 11 GLU CB C 13 34.845 0.25 . 1 . . . . . . . . 6597 1 108 . 1 1 11 11 GLU CG C 13 34.845 0.25 . 1 . . . . . . . . 6597 1 109 . 1 1 11 11 GLU N N 15 121.237 0.15 . 1 . . . . . . . . 6597 1 110 . 1 1 12 12 PHE H H 1 8.334 0.01 . 1 . . . . . . . . 6597 1 111 . 1 1 12 12 PHE HA H 1 5.103 0.01 . 1 . . . . . . . . 6597 1 112 . 1 1 12 12 PHE HB2 H 1 3.049 0.01 . 2 . . . . . . . . 6597 1 113 . 1 1 12 12 PHE HB3 H 1 2.679 0.01 . 2 . . . . . . . . 6597 1 114 . 1 1 12 12 PHE HD1 H 1 7.170 0.01 . 1 . . . . . . . . 6597 1 115 . 1 1 12 12 PHE HD2 H 1 7.170 0.01 . 1 . . . . . . . . 6597 1 116 . 1 1 12 12 PHE HE1 H 1 6.948 0.01 . 1 . . . . . . . . 6597 1 117 . 1 1 12 12 PHE HE2 H 1 6.948 0.01 . 1 . . . . . . . . 6597 1 118 . 1 1 12 12 PHE HZ H 1 6.948 0.01 . 1 . . . . . . . . 6597 1 119 . 1 1 12 12 PHE CA C 13 55.708 0.25 . 1 . . . . . . . . 6597 1 120 . 1 1 12 12 PHE CB C 13 42.457 0.25 . 1 . . . . . . . . 6597 1 121 . 1 1 12 12 PHE CD1 C 13 132.110 0.25 . 1 . . . . . . . . 6597 1 122 . 1 1 12 12 PHE CD2 C 13 132.110 0.25 . 1 . . . . . . . . 6597 1 123 . 1 1 12 12 PHE CE1 C 13 130.616 0.25 . 1 . . . . . . . . 6597 1 124 . 1 1 12 12 PHE CE2 C 13 130.616 0.25 . 1 . . . . . . . . 6597 1 125 . 1 1 12 12 PHE CZ C 13 130.616 0.25 . 1 . . . . . . . . 6597 1 126 . 1 1 12 12 PHE N N 15 112.450 0.15 . 1 . . . . . . . . 6597 1 127 . 1 1 13 13 ILE HA H 1 5.124 0.01 . 1 . . . . . . . . 6597 1 128 . 1 1 13 13 ILE HB H 1 1.890 0.01 . 1 . . . . . . . . 6597 1 129 . 1 1 13 13 ILE HG12 H 1 1.430 0.01 . 1 . . . . . . . . 6597 1 130 . 1 1 13 13 ILE HG13 H 1 1.220 0.01 . 1 . . . . . . . . 6597 1 131 . 1 1 13 13 ILE HG21 H 1 0.931 0.01 . 1 . . . . . . . . 6597 1 132 . 1 1 13 13 ILE HG22 H 1 0.931 0.01 . 1 . . . . . . . . 6597 1 133 . 1 1 13 13 ILE HG23 H 1 0.931 0.01 . 1 . . . . . . . . 6597 1 134 . 1 1 13 13 ILE HD11 H 1 0.802 0.01 . 1 . . . . . . . . 6597 1 135 . 1 1 13 13 ILE HD12 H 1 0.802 0.01 . 1 . . . . . . . . 6597 1 136 . 1 1 13 13 ILE HD13 H 1 0.802 0.01 . 1 . . . . . . . . 6597 1 137 . 1 1 13 13 ILE C C 13 174.694 0.25 . 1 . . . . . . . . 6597 1 138 . 1 1 13 13 ILE CA C 13 59.740 0.25 . 1 . . . . . . . . 6597 1 139 . 1 1 13 13 ILE CB C 13 39.995 0.25 . 1 . . . . . . . . 6597 1 140 . 1 1 13 13 ILE CG1 C 13 28.860 0.25 . 2 . . . . . . . . 6597 1 141 . 1 1 13 13 ILE CG2 C 13 17.682 0.25 . 1 . . . . . . . . 6597 1 142 . 1 1 13 13 ILE CD1 C 13 13.918 0.25 . 1 . . . . . . . . 6597 1 143 . 1 1 14 14 SER H H 1 9.578 0.01 . 1 . . . . . . . . 6597 1 144 . 1 1 14 14 SER HA H 1 5.358 0.01 . 1 . . . . . . . . 6597 1 145 . 1 1 14 14 SER HB2 H 1 4.396 0.01 . 2 . . . . . . . . 6597 1 146 . 1 1 14 14 SER HB3 H 1 4.072 0.01 . 2 . . . . . . . . 6597 1 147 . 1 1 14 14 SER C C 13 173.300 0.25 . 1 . . . . . . . . 6597 1 148 . 1 1 14 14 SER CA C 13 56.910 0.25 . 1 . . . . . . . . 6597 1 149 . 1 1 14 14 SER CB C 13 66.328 0.25 . 1 . . . . . . . . 6597 1 150 . 1 1 14 14 SER N N 15 119.214 0.15 . 1 . . . . . . . . 6597 1 151 . 1 1 15 15 ARG H H 1 8.825 0.01 . 1 . . . . . . . . 6597 1 152 . 1 1 15 15 ARG HA H 1 5.794 0.01 . 1 . . . . . . . . 6597 1 153 . 1 1 15 15 ARG HB2 H 1 1.578 0.01 . 1 . . . . . . . . 6597 1 154 . 1 1 15 15 ARG HB3 H 1 1.578 0.01 . 1 . . . . . . . . 6597 1 155 . 1 1 15 15 ARG HG2 H 1 1.430 0.01 . 1 . . . . . . . . 6597 1 156 . 1 1 15 15 ARG HG3 H 1 1.430 0.01 . 1 . . . . . . . . 6597 1 157 . 1 1 15 15 ARG HD2 H 1 1.910 0.01 . 1 . . . . . . . . 6597 1 158 . 1 1 15 15 ARG HD3 H 1 1.910 0.01 . 1 . . . . . . . . 6597 1 159 . 1 1 15 15 ARG HE H 1 5.815 0.01 . 1 . . . . . . . . 6597 1 160 . 1 1 15 15 ARG C C 13 175.706 0.25 . 1 . . . . . . . . 6597 1 161 . 1 1 15 15 ARG CA C 13 54.357 0.25 . 1 . . . . . . . . 6597 1 162 . 1 1 15 15 ARG CB C 13 34.700 0.25 . 1 . . . . . . . . 6597 1 163 . 1 1 15 15 ARG CG C 13 28.000 0.25 . 1 . . . . . . . . 6597 1 164 . 1 1 15 15 ARG CD C 13 43.010 0.25 . 1 . . . . . . . . 6597 1 165 . 1 1 15 15 ARG N N 15 117.060 0.15 . 1 . . . . . . . . 6597 1 166 . 1 1 16 16 HIS H H 1 9.475 0.01 . 1 . . . . . . . . 6597 1 167 . 1 1 16 16 HIS HA H 1 5.812 0.01 . 1 . . . . . . . . 6597 1 168 . 1 1 16 16 HIS HB2 H 1 2.957 0.01 . 2 . . . . . . . . 6597 1 169 . 1 1 16 16 HIS HB3 H 1 2.758 0.01 . 2 . . . . . . . . 6597 1 170 . 1 1 16 16 HIS HD1 H 1 9.460 0.01 . 3 . . . . . . . . 6597 1 171 . 1 1 16 16 HIS HD2 H 1 6.695 0.01 . 3 . . . . . . . . 6597 1 172 . 1 1 16 16 HIS HE1 H 1 7.037 0.01 . 3 . . . . . . . . 6597 1 173 . 1 1 16 16 HIS C C 13 176.441 0.25 . 1 . . . . . . . . 6597 1 174 . 1 1 16 16 HIS CA C 13 54.208 0.25 . 1 . . . . . . . . 6597 1 175 . 1 1 16 16 HIS CB C 13 34.228 0.25 . 1 . . . . . . . . 6597 1 176 . 1 1 16 16 HIS CD2 C 13 129.425 0.25 . 1 . . . . . . . . 6597 1 177 . 1 1 16 16 HIS CE1 C 13 129.825 0.25 . 1 . . . . . . . . 6597 1 178 . 1 1 16 16 HIS N N 15 120.503 0.15 . 1 . . . . . . . . 6597 1 179 . 1 1 16 16 HIS ND1 N 15 162.040 0.15 . 1 . . . . . . . . 6597 1 180 . 1 1 17 17 ASN H H 1 8.101 0.01 . 1 . . . . . . . . 6597 1 181 . 1 1 17 17 ASN HA H 1 5.153 0.01 . 1 . . . . . . . . 6597 1 182 . 1 1 17 17 ASN HB2 H 1 3.737 0.01 . 2 . . . . . . . . 6597 1 183 . 1 1 17 17 ASN HB3 H 1 2.909 0.01 . 2 . . . . . . . . 6597 1 184 . 1 1 17 17 ASN HD21 H 1 7.843 0.01 . 2 . . . . . . . . 6597 1 185 . 1 1 17 17 ASN HD22 H 1 6.638 0.01 . 2 . . . . . . . . 6597 1 186 . 1 1 17 17 ASN C C 13 176.988 0.25 . 1 . . . . . . . . 6597 1 187 . 1 1 17 17 ASN CA C 13 51.207 0.25 . 1 . . . . . . . . 6597 1 188 . 1 1 17 17 ASN CB C 13 38.152 0.25 . 1 . . . . . . . . 6597 1 189 . 1 1 17 17 ASN N N 15 118.517 0.15 . 1 . . . . . . . . 6597 1 190 . 1 1 17 17 ASN ND2 N 15 111.192 0.15 . 1 . . . . . . . . 6597 1 191 . 1 1 18 18 ILE H H 1 8.068 0.01 . 1 . . . . . . . . 6597 1 192 . 1 1 18 18 ILE HA H 1 3.894 0.01 . 1 . . . . . . . . 6597 1 193 . 1 1 18 18 ILE HB H 1 2.012 0.01 . 1 . . . . . . . . 6597 1 194 . 1 1 18 18 ILE HG12 H 1 1.426 0.01 . 1 . . . . . . . . 6597 1 195 . 1 1 18 18 ILE HG13 H 1 1.321 0.01 . 1 . . . . . . . . 6597 1 196 . 1 1 18 18 ILE HG21 H 1 0.967 0.01 . 1 . . . . . . . . 6597 1 197 . 1 1 18 18 ILE HG22 H 1 0.967 0.01 . 1 . . . . . . . . 6597 1 198 . 1 1 18 18 ILE HG23 H 1 0.967 0.01 . 1 . . . . . . . . 6597 1 199 . 1 1 18 18 ILE HD11 H 1 0.891 0.01 . 1 . . . . . . . . 6597 1 200 . 1 1 18 18 ILE HD12 H 1 0.891 0.01 . 1 . . . . . . . . 6597 1 201 . 1 1 18 18 ILE HD13 H 1 0.891 0.01 . 1 . . . . . . . . 6597 1 202 . 1 1 18 18 ILE C C 13 175.895 0.25 . 1 . . . . . . . . 6597 1 203 . 1 1 18 18 ILE CA C 13 64.535 0.25 . 1 . . . . . . . . 6597 1 204 . 1 1 18 18 ILE CB C 13 37.985 0.25 . 1 . . . . . . . . 6597 1 205 . 1 1 18 18 ILE CG1 C 13 27.536 0.25 . 2 . . . . . . . . 6597 1 206 . 1 1 18 18 ILE CG2 C 13 18.295 0.25 . 1 . . . . . . . . 6597 1 207 . 1 1 18 18 ILE CD1 C 13 14.265 0.25 . 1 . . . . . . . . 6597 1 208 . 1 1 18 18 ILE N N 15 112.743 0.15 . 1 . . . . . . . . 6597 1 209 . 1 1 19 19 GLU H H 1 7.278 0.01 . 1 . . . . . . . . 6597 1 210 . 1 1 19 19 GLU HA H 1 4.274 0.01 . 1 . . . . . . . . 6597 1 211 . 1 1 19 19 GLU HB2 H 1 2.072 0.01 . 1 . . . . . . . . 6597 1 212 . 1 1 19 19 GLU HB3 H 1 2.072 0.01 . 1 . . . . . . . . 6597 1 213 . 1 1 19 19 GLU HG2 H 1 2.259 0.01 . 2 . . . . . . . . 6597 1 214 . 1 1 19 19 GLU HG3 H 1 2.220 0.01 . 2 . . . . . . . . 6597 1 215 . 1 1 19 19 GLU C C 13 177.324 0.25 . 1 . . . . . . . . 6597 1 216 . 1 1 19 19 GLU CA C 13 56.690 0.25 . 1 . . . . . . . . 6597 1 217 . 1 1 19 19 GLU CB C 13 30.546 0.25 . 1 . . . . . . . . 6597 1 218 . 1 1 19 19 GLU CG C 13 36.936 0.25 . 1 . . . . . . . . 6597 1 219 . 1 1 19 19 GLU N N 15 115.786 0.15 . 1 . . . . . . . . 6597 1 220 . 1 1 20 20 GLY H H 1 7.977 0.01 . 1 . . . . . . . . 6597 1 221 . 1 1 20 20 GLY HA2 H 1 4.328 0.01 . 2 . . . . . . . . 6597 1 222 . 1 1 20 20 GLY HA3 H 1 2.888 0.01 . 2 . . . . . . . . 6597 1 223 . 1 1 20 20 GLY C C 13 176.329 0.25 . 1 . . . . . . . . 6597 1 224 . 1 1 20 20 GLY CA C 13 44.430 0.25 . 1 . . . . . . . . 6597 1 225 . 1 1 20 20 GLY N N 15 104.752 0.15 . 1 . . . . . . . . 6597 1 226 . 1 1 21 21 ILE H H 1 8.088 0.01 . 1 . . . . . . . . 6597 1 227 . 1 1 21 21 ILE HA H 1 4.202 0.01 . 1 . . . . . . . . 6597 1 228 . 1 1 21 21 ILE HB H 1 1.817 0.01 . 1 . . . . . . . . 6597 1 229 . 1 1 21 21 ILE HG12 H 1 1.493 0.01 . 1 . . . . . . . . 6597 1 230 . 1 1 21 21 ILE HG13 H 1 1.188 0.01 . 1 . . . . . . . . 6597 1 231 . 1 1 21 21 ILE HG21 H 1 0.727 0.01 . 1 . . . . . . . . 6597 1 232 . 1 1 21 21 ILE HG22 H 1 0.727 0.01 . 1 . . . . . . . . 6597 1 233 . 1 1 21 21 ILE HG23 H 1 0.727 0.01 . 1 . . . . . . . . 6597 1 234 . 1 1 21 21 ILE HD11 H 1 0.788 0.01 . 1 . . . . . . . . 6597 1 235 . 1 1 21 21 ILE HD12 H 1 0.788 0.01 . 1 . . . . . . . . 6597 1 236 . 1 1 21 21 ILE HD13 H 1 0.788 0.01 . 1 . . . . . . . . 6597 1 237 . 1 1 21 21 ILE C C 13 177.590 0.25 . 1 . . . . . . . . 6597 1 238 . 1 1 21 21 ILE CA C 13 60.921 0.25 . 1 . . . . . . . . 6597 1 239 . 1 1 21 21 ILE CB C 13 36.821 0.25 . 1 . . . . . . . . 6597 1 240 . 1 1 21 21 ILE CG1 C 13 28.280 0.25 . 2 . . . . . . . . 6597 1 241 . 1 1 21 21 ILE CG2 C 13 17.032 0.25 . 1 . . . . . . . . 6597 1 242 . 1 1 21 21 ILE CD1 C 13 11.563 0.25 . 1 . . . . . . . . 6597 1 243 . 1 1 21 21 ILE N N 15 126.991 0.15 . 1 . . . . . . . . 6597 1 244 . 1 1 22 22 PHE H H 1 9.006 0.01 . 1 . . . . . . . . 6597 1 245 . 1 1 22 22 PHE HA H 1 4.159 0.01 . 1 . . . . . . . . 6597 1 246 . 1 1 22 22 PHE HB2 H 1 3.584 0.01 . 2 . . . . . . . . 6597 1 247 . 1 1 22 22 PHE HB3 H 1 2.422 0.01 . 2 . . . . . . . . 6597 1 248 . 1 1 22 22 PHE HD1 H 1 7.494 0.01 . 1 . . . . . . . . 6597 1 249 . 1 1 22 22 PHE HD2 H 1 7.494 0.01 . 1 . . . . . . . . 6597 1 250 . 1 1 22 22 PHE HE1 H 1 7.325 0.01 . 1 . . . . . . . . 6597 1 251 . 1 1 22 22 PHE HE2 H 1 7.325 0.01 . 1 . . . . . . . . 6597 1 252 . 1 1 22 22 PHE HZ H 1 5.550 0.01 . 1 . . . . . . . . 6597 1 253 . 1 1 22 22 PHE C C 13 177.280 0.25 . 1 . . . . . . . . 6597 1 254 . 1 1 22 22 PHE CA C 13 59.194 0.25 . 1 . . . . . . . . 6597 1 255 . 1 1 22 22 PHE CB C 13 40.853 0.25 . 1 . . . . . . . . 6597 1 256 . 1 1 22 22 PHE CD1 C 13 134.460 0.25 . 1 . . . . . . . . 6597 1 257 . 1 1 22 22 PHE CD2 C 13 134.460 0.25 . 1 . . . . . . . . 6597 1 258 . 1 1 22 22 PHE CE1 C 13 130.170 0.25 . 1 . . . . . . . . 6597 1 259 . 1 1 22 22 PHE CE2 C 13 130.170 0.25 . 1 . . . . . . . . 6597 1 260 . 1 1 22 22 PHE CZ C 13 136.300 0.25 . 1 . . . . . . . . 6597 1 261 . 1 1 22 22 PHE N N 15 124.145 0.15 . 1 . . . . . . . . 6597 1 262 . 1 1 23 23 THR H H 1 9.686 0.01 . 1 . . . . . . . . 6597 1 263 . 1 1 23 23 THR HA H 1 4.497 0.01 . 1 . . . . . . . . 6597 1 264 . 1 1 23 23 THR HB H 1 4.386 0.01 . 1 . . . . . . . . 6597 1 265 . 1 1 23 23 THR HG21 H 1 1.198 0.01 . 1 . . . . . . . . 6597 1 266 . 1 1 23 23 THR HG22 H 1 1.198 0.01 . 1 . . . . . . . . 6597 1 267 . 1 1 23 23 THR HG23 H 1 1.198 0.01 . 1 . . . . . . . . 6597 1 268 . 1 1 23 23 THR C C 13 175.083 0.25 . 1 . . . . . . . . 6597 1 269 . 1 1 23 23 THR CA C 13 61.681 0.25 . 1 . . . . . . . . 6597 1 270 . 1 1 23 23 THR CB C 13 69.299 0.25 . 1 . . . . . . . . 6597 1 271 . 1 1 23 23 THR CG2 C 13 21.602 0.25 . 1 . . . . . . . . 6597 1 272 . 1 1 23 23 THR N N 15 117.760 0.15 . 1 . . . . . . . . 6597 1 273 . 1 1 24 24 PHE H H 1 7.781 0.01 . 1 . . . . . . . . 6597 1 274 . 1 1 24 24 PHE HA H 1 4.468 0.01 . 1 . . . . . . . . 6597 1 275 . 1 1 24 24 PHE HB2 H 1 3.364 0.01 . 2 . . . . . . . . 6597 1 276 . 1 1 24 24 PHE HB3 H 1 2.419 0.01 . 2 . . . . . . . . 6597 1 277 . 1 1 24 24 PHE HD1 H 1 7.057 0.01 . 1 . . . . . . . . 6597 1 278 . 1 1 24 24 PHE HD2 H 1 7.057 0.01 . 1 . . . . . . . . 6597 1 279 . 1 1 24 24 PHE HE1 H 1 7.196 0.01 . 1 . . . . . . . . 6597 1 280 . 1 1 24 24 PHE HE2 H 1 7.196 0.01 . 1 . . . . . . . . 6597 1 281 . 1 1 24 24 PHE C C 13 173.486 0.25 . 1 . . . . . . . . 6597 1 282 . 1 1 24 24 PHE CA C 13 59.103 0.25 . 1 . . . . . . . . 6597 1 283 . 1 1 24 24 PHE CB C 13 42.530 0.25 . 1 . . . . . . . . 6597 1 284 . 1 1 24 24 PHE CD1 C 13 131.000 0.25 . 1 . . . . . . . . 6597 1 285 . 1 1 24 24 PHE CD2 C 13 131.000 0.25 . 1 . . . . . . . . 6597 1 286 . 1 1 24 24 PHE CE1 C 13 131.100 0.25 . 1 . . . . . . . . 6597 1 287 . 1 1 24 24 PHE CE2 C 13 131.100 0.25 . 1 . . . . . . . . 6597 1 288 . 1 1 24 24 PHE N N 15 123.255 0.15 . 1 . . . . . . . . 6597 1 289 . 1 1 25 25 VAL H H 1 7.586 0.01 . 1 . . . . . . . . 6597 1 290 . 1 1 25 25 VAL HA H 1 4.423 0.01 . 1 . . . . . . . . 6597 1 291 . 1 1 25 25 VAL HB H 1 1.760 0.01 . 1 . . . . . . . . 6597 1 292 . 1 1 25 25 VAL HG11 H 1 0.815 0.01 . 2 . . . . . . . . 6597 1 293 . 1 1 25 25 VAL HG12 H 1 0.815 0.01 . 2 . . . . . . . . 6597 1 294 . 1 1 25 25 VAL HG13 H 1 0.815 0.01 . 2 . . . . . . . . 6597 1 295 . 1 1 25 25 VAL HG21 H 1 0.764 0.01 . 2 . . . . . . . . 6597 1 296 . 1 1 25 25 VAL HG22 H 1 0.764 0.01 . 2 . . . . . . . . 6597 1 297 . 1 1 25 25 VAL HG23 H 1 0.764 0.01 . 2 . . . . . . . . 6597 1 298 . 1 1 25 25 VAL C C 13 172.533 0.25 . 1 . . . . . . . . 6597 1 299 . 1 1 25 25 VAL CA C 13 61.401 0.25 . 1 . . . . . . . . 6597 1 300 . 1 1 25 25 VAL CB C 13 35.144 0.25 . 1 . . . . . . . . 6597 1 301 . 1 1 25 25 VAL CG1 C 13 23.270 0.25 . 1 . . . . . . . . 6597 1 302 . 1 1 25 25 VAL CG2 C 13 21.951 0.25 . 1 . . . . . . . . 6597 1 303 . 1 1 25 25 VAL N N 15 125.438 0.15 . 1 . . . . . . . . 6597 1 304 . 1 1 26 26 ASP H H 1 8.151 0.01 . 1 . . . . . . . . 6597 1 305 . 1 1 26 26 ASP HA H 1 4.541 0.01 . 1 . . . . . . . . 6597 1 306 . 1 1 26 26 ASP HB2 H 1 3.382 0.01 . 2 . . . . . . . . 6597 1 307 . 1 1 26 26 ASP HB3 H 1 3.028 0.01 . 2 . . . . . . . . 6597 1 308 . 1 1 26 26 ASP CA C 13 53.523 0.25 . 1 . . . . . . . . 6597 1 309 . 1 1 26 26 ASP CB C 13 42.655 0.25 . 1 . . . . . . . . 6597 1 310 . 1 1 26 26 ASP N N 15 126.498 0.15 . 1 . . . . . . . . 6597 1 311 . 1 1 27 27 HIS H H 1 8.477 0.01 . 1 . . . . . . . . 6597 1 312 . 1 1 27 27 HIS HA H 1 4.276 0.01 . 1 . . . . . . . . 6597 1 313 . 1 1 27 27 HIS HB2 H 1 3.365 0.01 . 2 . . . . . . . . 6597 1 314 . 1 1 27 27 HIS HB3 H 1 3.236 0.01 . 2 . . . . . . . . 6597 1 315 . 1 1 27 27 HIS HD2 H 1 7.111 0.01 . 3 . . . . . . . . 6597 1 316 . 1 1 27 27 HIS C C 13 177.226 0.25 . 1 . . . . . . . . 6597 1 317 . 1 1 27 27 HIS CA C 13 59.104 0.25 . 1 . . . . . . . . 6597 1 318 . 1 1 27 27 HIS CB C 13 30.123 0.25 . 1 . . . . . . . . 6597 1 319 . 1 1 27 27 HIS CD2 C 13 119.388 0.25 . 1 . . . . . . . . 6597 1 320 . 1 1 28 28 ARG H H 1 8.954 0.01 . 1 . . . . . . . . 6597 1 321 . 1 1 28 28 ARG HA H 1 4.285 0.01 . 1 . . . . . . . . 6597 1 322 . 1 1 28 28 ARG HB2 H 1 2.110 0.01 . 2 . . . . . . . . 6597 1 323 . 1 1 28 28 ARG HB3 H 1 2.300 0.01 . 2 . . . . . . . . 6597 1 324 . 1 1 28 28 ARG HG2 H 1 1.742 0.01 . 1 . . . . . . . . 6597 1 325 . 1 1 28 28 ARG HG3 H 1 1.742 0.01 . 1 . . . . . . . . 6597 1 326 . 1 1 28 28 ARG HD2 H 1 3.425 0.01 . 1 . . . . . . . . 6597 1 327 . 1 1 28 28 ARG HD3 H 1 3.425 0.01 . 1 . . . . . . . . 6597 1 328 . 1 1 28 28 ARG C C 13 178.133 0.25 . 1 . . . . . . . . 6597 1 329 . 1 1 28 28 ARG CA C 13 58.600 0.25 . 1 . . . . . . . . 6597 1 330 . 1 1 28 28 ARG CB C 13 30.248 0.25 . 1 . . . . . . . . 6597 1 331 . 1 1 28 28 ARG CD C 13 43.868 0.25 . 1 . . . . . . . . 6597 1 332 . 1 1 28 28 ARG N N 15 122.496 0.15 . 1 . . . . . . . . 6597 1 333 . 1 1 29 29 CYS H H 1 8.340 0.01 . 1 . . . . . . . . 6597 1 334 . 1 1 29 29 CYS HA H 1 3.190 0.01 . 1 . . . . . . . . 6597 1 335 . 1 1 29 29 CYS HB2 H 1 1.756 0.01 . 2 . . . . . . . . 6597 1 336 . 1 1 29 29 CYS HB3 H 1 1.575 0.01 . 2 . . . . . . . . 6597 1 337 . 1 1 29 29 CYS HG H 1 2.706 0.01 . 1 . . . . . . . . 6597 1 338 . 1 1 29 29 CYS C C 13 175.433 0.25 . 1 . . . . . . . . 6597 1 339 . 1 1 29 29 CYS CA C 13 60.214 0.25 . 1 . . . . . . . . 6597 1 340 . 1 1 29 29 CYS CB C 13 25.657 0.25 . 1 . . . . . . . . 6597 1 341 . 1 1 29 29 CYS N N 15 120.118 0.15 . 1 . . . . . . . . 6597 1 342 . 1 1 30 30 VAL H H 1 7.197 0.01 . 1 . . . . . . . . 6597 1 343 . 1 1 30 30 VAL HA H 1 3.316 0.01 . 1 . . . . . . . . 6597 1 344 . 1 1 30 30 VAL HB H 1 1.960 0.01 . 1 . . . . . . . . 6597 1 345 . 1 1 30 30 VAL HG11 H 1 0.956 0.01 . 2 . . . . . . . . 6597 1 346 . 1 1 30 30 VAL HG12 H 1 0.956 0.01 . 2 . . . . . . . . 6597 1 347 . 1 1 30 30 VAL HG13 H 1 0.956 0.01 . 2 . . . . . . . . 6597 1 348 . 1 1 30 30 VAL HG21 H 1 0.765 0.01 . 2 . . . . . . . . 6597 1 349 . 1 1 30 30 VAL HG22 H 1 0.765 0.01 . 2 . . . . . . . . 6597 1 350 . 1 1 30 30 VAL HG23 H 1 0.765 0.01 . 2 . . . . . . . . 6597 1 351 . 1 1 30 30 VAL C C 13 178.318 0.25 . 1 . . . . . . . . 6597 1 352 . 1 1 30 30 VAL CA C 13 66.101 0.25 . 1 . . . . . . . . 6597 1 353 . 1 1 30 30 VAL CB C 13 31.419 0.25 . 1 . . . . . . . . 6597 1 354 . 1 1 30 30 VAL CG1 C 13 22.732 0.25 . 1 . . . . . . . . 6597 1 355 . 1 1 30 30 VAL CG2 C 13 21.050 0.25 . 1 . . . . . . . . 6597 1 356 . 1 1 30 30 VAL N N 15 125.128 0.15 . 1 . . . . . . . . 6597 1 357 . 1 1 31 31 ALA H H 1 7.511 0.01 . 1 . . . . . . . . 6597 1 358 . 1 1 31 31 ALA HA H 1 4.109 0.01 . 1 . . . . . . . . 6597 1 359 . 1 1 31 31 ALA HB1 H 1 1.459 0.01 . 1 . . . . . . . . 6597 1 360 . 1 1 31 31 ALA HB2 H 1 1.459 0.01 . 1 . . . . . . . . 6597 1 361 . 1 1 31 31 ALA HB3 H 1 1.459 0.01 . 1 . . . . . . . . 6597 1 362 . 1 1 31 31 ALA C C 13 178.430 0.25 . 1 . . . . . . . . 6597 1 363 . 1 1 31 31 ALA CA C 13 53.876 0.25 . 1 . . . . . . . . 6597 1 364 . 1 1 31 31 ALA CB C 13 19.367 0.25 . 1 . . . . . . . . 6597 1 365 . 1 1 31 31 ALA N N 15 120.851 0.15 . 1 . . . . . . . . 6597 1 366 . 1 1 32 32 THR H H 1 7.446 0.01 . 1 . . . . . . . . 6597 1 367 . 1 1 32 32 THR HA H 1 4.136 0.01 . 1 . . . . . . . . 6597 1 368 . 1 1 32 32 THR HB H 1 3.837 0.01 . 1 . . . . . . . . 6597 1 369 . 1 1 32 32 THR HG21 H 1 1.182 0.01 . 1 . . . . . . . . 6597 1 370 . 1 1 32 32 THR HG22 H 1 1.182 0.01 . 1 . . . . . . . . 6597 1 371 . 1 1 32 32 THR HG23 H 1 1.182 0.01 . 1 . . . . . . . . 6597 1 372 . 1 1 32 32 THR C C 13 175.741 0.25 . 1 . . . . . . . . 6597 1 373 . 1 1 32 32 THR CA C 13 65.296 0.25 . 1 . . . . . . . . 6597 1 374 . 1 1 32 32 THR CB C 13 68.853 0.25 . 1 . . . . . . . . 6597 1 375 . 1 1 32 32 THR CG2 C 13 22.277 0.25 . 1 . . . . . . . . 6597 1 376 . 1 1 32 32 THR N N 15 109.916 0.15 . 1 . . . . . . . . 6597 1 377 . 1 1 33 33 VAL H H 1 7.991 0.01 . 1 . . . . . . . . 6597 1 378 . 1 1 33 33 VAL HA H 1 4.525 0.01 . 1 . . . . . . . . 6597 1 379 . 1 1 33 33 VAL HB H 1 2.503 0.01 . 1 . . . . . . . . 6597 1 380 . 1 1 33 33 VAL HG11 H 1 0.338 0.01 . 2 . . . . . . . . 6597 1 381 . 1 1 33 33 VAL HG12 H 1 0.338 0.01 . 2 . . . . . . . . 6597 1 382 . 1 1 33 33 VAL HG13 H 1 0.338 0.01 . 2 . . . . . . . . 6597 1 383 . 1 1 33 33 VAL HG21 H 1 0.508 0.01 . 2 . . . . . . . . 6597 1 384 . 1 1 33 33 VAL HG22 H 1 0.508 0.01 . 2 . . . . . . . . 6597 1 385 . 1 1 33 33 VAL HG23 H 1 0.508 0.01 . 2 . . . . . . . . 6597 1 386 . 1 1 33 33 VAL C C 13 175.531 0.25 . 1 . . . . . . . . 6597 1 387 . 1 1 33 33 VAL CA C 13 60.664 0.25 . 1 . . . . . . . . 6597 1 388 . 1 1 33 33 VAL CB C 13 34.167 0.25 . 1 . . . . . . . . 6597 1 389 . 1 1 33 33 VAL CG1 C 13 22.952 0.25 . 1 . . . . . . . . 6597 1 390 . 1 1 33 33 VAL CG2 C 13 20.415 0.25 . 1 . . . . . . . . 6597 1 391 . 1 1 33 33 VAL N N 15 132.511 0.15 . 1 . . . . . . . . 6597 1 392 . 1 1 34 34 GLY H H 1 7.460 0.01 . 1 . . . . . . . . 6597 1 393 . 1 1 34 34 GLY HA2 H 1 4.108 0.01 . 2 . . . . . . . . 6597 1 394 . 1 1 34 34 GLY HA3 H 1 3.836 0.01 . 2 . . . . . . . . 6597 1 395 . 1 1 34 34 GLY C C 13 173.710 0.25 . 1 . . . . . . . . 6597 1 396 . 1 1 34 34 GLY CA C 13 46.652 0.25 . 1 . . . . . . . . 6597 1 397 . 1 1 34 34 GLY N N 15 110.100 0.15 . 1 . . . . . . . . 6597 1 398 . 1 1 35 35 TYR H H 1 6.175 0.01 . 1 . . . . . . . . 6597 1 399 . 1 1 35 35 TYR HA H 1 4.386 0.01 . 1 . . . . . . . . 6597 1 400 . 1 1 35 35 TYR HB2 H 1 2.963 0.01 . 2 . . . . . . . . 6597 1 401 . 1 1 35 35 TYR HB3 H 1 1.811 0.01 . 2 . . . . . . . . 6597 1 402 . 1 1 35 35 TYR HD1 H 1 6.870 0.01 . 1 . . . . . . . . 6597 1 403 . 1 1 35 35 TYR HD2 H 1 6.870 0.01 . 1 . . . . . . . . 6597 1 404 . 1 1 35 35 TYR HE1 H 1 7.250 0.01 . 1 . . . . . . . . 6597 1 405 . 1 1 35 35 TYR HE2 H 1 7.250 0.01 . 1 . . . . . . . . 6597 1 406 . 1 1 35 35 TYR C C 13 174.718 0.25 . 1 . . . . . . . . 6597 1 407 . 1 1 35 35 TYR CA C 13 57.553 0.25 . 1 . . . . . . . . 6597 1 408 . 1 1 35 35 TYR CB C 13 40.633 0.25 . 1 . . . . . . . . 6597 1 409 . 1 1 35 35 TYR CD1 C 13 132.700 0.25 . 3 . . . . . . . . 6597 1 410 . 1 1 35 35 TYR CD2 C 13 132.963 0.25 . 3 . . . . . . . . 6597 1 411 . 1 1 35 35 TYR CE1 C 13 118.060 0.25 . 1 . . . . . . . . 6597 1 412 . 1 1 35 35 TYR CE2 C 13 118.060 0.25 . 1 . . . . . . . . 6597 1 413 . 1 1 35 35 TYR N N 15 117.177 0.15 . 1 . . . . . . . . 6597 1 414 . 1 1 36 36 GLN H H 1 9.081 0.01 . 1 . . . . . . . . 6597 1 415 . 1 1 36 36 GLN HA H 1 4.241 0.01 . 1 . . . . . . . . 6597 1 416 . 1 1 36 36 GLN HB2 H 1 2.353 0.01 . 2 . . . . . . . . 6597 1 417 . 1 1 36 36 GLN HB3 H 1 1.610 0.01 . 2 . . . . . . . . 6597 1 418 . 1 1 36 36 GLN HG2 H 1 2.465 0.01 . 1 . . . . . . . . 6597 1 419 . 1 1 36 36 GLN HG3 H 1 2.465 0.01 . 1 . . . . . . . . 6597 1 420 . 1 1 36 36 GLN HE21 H 1 7.605 0.01 . 2 . . . . . . . . 6597 1 421 . 1 1 36 36 GLN HE22 H 1 6.822 0.01 . 2 . . . . . . . . 6597 1 422 . 1 1 36 36 GLN CA C 13 53.793 0.25 . 1 . . . . . . . . 6597 1 423 . 1 1 36 36 GLN CB C 13 27.546 0.25 . 1 . . . . . . . . 6597 1 424 . 1 1 36 36 GLN CG C 13 33.500 0.25 . 1 . . . . . . . . 6597 1 425 . 1 1 36 36 GLN N N 15 117.706 0.15 . 1 . . . . . . . . 6597 1 426 . 1 1 36 36 GLN NE2 N 15 112.982 0.15 . 1 . . . . . . . . 6597 1 427 . 1 1 37 37 PRO HA H 1 3.674 0.01 . 1 . . . . . . . . 6597 1 428 . 1 1 37 37 PRO HB2 H 1 2.080 0.01 . 2 . . . . . . . . 6597 1 429 . 1 1 37 37 PRO HB3 H 1 1.805 0.01 . 2 . . . . . . . . 6597 1 430 . 1 1 37 37 PRO HG2 H 1 1.962 0.01 . 2 . . . . . . . . 6597 1 431 . 1 1 37 37 PRO HG3 H 1 1.700 0.01 . 2 . . . . . . . . 6597 1 432 . 1 1 37 37 PRO HD2 H 1 3.754 0.01 . 2 . . . . . . . . 6597 1 433 . 1 1 37 37 PRO HD3 H 1 3.325 0.01 . 2 . . . . . . . . 6597 1 434 . 1 1 37 37 PRO C C 13 178.416 0.25 . 1 . . . . . . . . 6597 1 435 . 1 1 37 37 PRO CA C 13 66.495 0.25 . 1 . . . . . . . . 6597 1 436 . 1 1 37 37 PRO CB C 13 31.725 0.25 . 1 . . . . . . . . 6597 1 437 . 1 1 37 37 PRO CG C 13 27.648 0.25 . 1 . . . . . . . . 6597 1 438 . 1 1 37 37 PRO CD C 13 49.517 0.25 . 1 . . . . . . . . 6597 1 439 . 1 1 38 38 GLN H H 1 8.875 0.01 . 1 . . . . . . . . 6597 1 440 . 1 1 38 38 GLN HA H 1 3.925 0.01 . 1 . . . . . . . . 6597 1 441 . 1 1 38 38 GLN HB2 H 1 2.052 0.01 . 1 . . . . . . . . 6597 1 442 . 1 1 38 38 GLN HB3 H 1 2.052 0.01 . 1 . . . . . . . . 6597 1 443 . 1 1 38 38 GLN HG2 H 1 2.424 0.01 . 2 . . . . . . . . 6597 1 444 . 1 1 38 38 GLN HG3 H 1 2.346 0.01 . 2 . . . . . . . . 6597 1 445 . 1 1 38 38 GLN HE21 H 1 7.609 0.01 . 2 . . . . . . . . 6597 1 446 . 1 1 38 38 GLN HE22 H 1 6.927 0.01 . 2 . . . . . . . . 6597 1 447 . 1 1 38 38 GLN C C 13 176.890 0.25 . 1 . . . . . . . . 6597 1 448 . 1 1 38 38 GLN CA C 13 58.576 0.25 . 1 . . . . . . . . 6597 1 449 . 1 1 38 38 GLN CB C 13 27.446 0.25 . 1 . . . . . . . . 6597 1 450 . 1 1 38 38 GLN CG C 13 33.491 0.25 . 1 . . . . . . . . 6597 1 451 . 1 1 38 38 GLN CD C 13 180.681 0.25 . 1 . . . . . . . . 6597 1 452 . 1 1 38 38 GLN N N 15 112.713 0.15 . 1 . . . . . . . . 6597 1 453 . 1 1 38 38 GLN NE2 N 15 111.900 0.15 . 1 . . . . . . . . 6597 1 454 . 1 1 39 39 GLU H H 1 7.796 0.01 . 1 . . . . . . . . 6597 1 455 . 1 1 39 39 GLU HA H 1 4.141 0.01 . 1 . . . . . . . . 6597 1 456 . 1 1 39 39 GLU HB2 H 1 2.421 0.01 . 2 . . . . . . . . 6597 1 457 . 1 1 39 39 GLU HB3 H 1 2.222 0.01 . 2 . . . . . . . . 6597 1 458 . 1 1 39 39 GLU HG2 H 1 2.255 0.01 . 1 . . . . . . . . 6597 1 459 . 1 1 39 39 GLU HG3 H 1 2.255 0.01 . 1 . . . . . . . . 6597 1 460 . 1 1 39 39 GLU C C 13 175.559 0.25 . 1 . . . . . . . . 6597 1 461 . 1 1 39 39 GLU CA C 13 57.682 0.25 . 1 . . . . . . . . 6597 1 462 . 1 1 39 39 GLU CB C 13 31.028 0.25 . 1 . . . . . . . . 6597 1 463 . 1 1 39 39 GLU CG C 13 39.045 0.25 . 1 . . . . . . . . 6597 1 464 . 1 1 39 39 GLU N N 15 117.403 0.15 . 1 . . . . . . . . 6597 1 465 . 1 1 40 40 LEU H H 1 6.910 0.01 . 1 . . . . . . . . 6597 1 466 . 1 1 40 40 LEU HA H 1 3.912 0.01 . 1 . . . . . . . . 6597 1 467 . 1 1 40 40 LEU HB2 H 1 0.978 0.01 . 2 . . . . . . . . 6597 1 468 . 1 1 40 40 LEU HB3 H 1 -0.345 0.01 . 2 . . . . . . . . 6597 1 469 . 1 1 40 40 LEU HG H 1 0.762 0.01 . 1 . . . . . . . . 6597 1 470 . 1 1 40 40 LEU HD11 H 1 -0.585 0.01 . 2 . . . . . . . . 6597 1 471 . 1 1 40 40 LEU HD12 H 1 -0.585 0.01 . 2 . . . . . . . . 6597 1 472 . 1 1 40 40 LEU HD13 H 1 -0.585 0.01 . 2 . . . . . . . . 6597 1 473 . 1 1 40 40 LEU HD21 H 1 0.062 0.01 . 2 . . . . . . . . 6597 1 474 . 1 1 40 40 LEU HD22 H 1 0.062 0.01 . 2 . . . . . . . . 6597 1 475 . 1 1 40 40 LEU HD23 H 1 0.062 0.01 . 2 . . . . . . . . 6597 1 476 . 1 1 40 40 LEU C C 13 176.133 0.25 . 1 . . . . . . . . 6597 1 477 . 1 1 40 40 LEU CA C 13 55.321 0.25 . 1 . . . . . . . . 6597 1 478 . 1 1 40 40 LEU CB C 13 42.700 0.25 . 1 . . . . . . . . 6597 1 479 . 1 1 40 40 LEU CG C 13 26.200 0.25 . 1 . . . . . . . . 6597 1 480 . 1 1 40 40 LEU CD1 C 13 22.700 0.25 . 1 . . . . . . . . 6597 1 481 . 1 1 40 40 LEU CD2 C 13 25.518 0.25 . 1 . . . . . . . . 6597 1 482 . 1 1 40 40 LEU N N 15 116.885 0.15 . 1 . . . . . . . . 6597 1 483 . 1 1 41 41 LEU H H 1 7.294 0.01 . 1 . . . . . . . . 6597 1 484 . 1 1 41 41 LEU HA H 1 3.651 0.01 . 1 . . . . . . . . 6597 1 485 . 1 1 41 41 LEU HB2 H 1 1.498 0.01 . 2 . . . . . . . . 6597 1 486 . 1 1 41 41 LEU HB3 H 1 1.331 0.01 . 2 . . . . . . . . 6597 1 487 . 1 1 41 41 LEU HG H 1 1.515 0.01 . 1 . . . . . . . . 6597 1 488 . 1 1 41 41 LEU HD11 H 1 0.737 0.01 . 2 . . . . . . . . 6597 1 489 . 1 1 41 41 LEU HD12 H 1 0.737 0.01 . 2 . . . . . . . . 6597 1 490 . 1 1 41 41 LEU HD13 H 1 0.737 0.01 . 2 . . . . . . . . 6597 1 491 . 1 1 41 41 LEU HD21 H 1 0.607 0.01 . 2 . . . . . . . . 6597 1 492 . 1 1 41 41 LEU HD22 H 1 0.607 0.01 . 2 . . . . . . . . 6597 1 493 . 1 1 41 41 LEU HD23 H 1 0.607 0.01 . 2 . . . . . . . . 6597 1 494 . 1 1 41 41 LEU C C 13 177.856 0.25 . 1 . . . . . . . . 6597 1 495 . 1 1 41 41 LEU CA C 13 56.624 0.25 . 1 . . . . . . . . 6597 1 496 . 1 1 41 41 LEU CB C 13 42.124 0.25 . 1 . . . . . . . . 6597 1 497 . 1 1 41 41 LEU CG C 13 26.890 0.25 . 1 . . . . . . . . 6597 1 498 . 1 1 41 41 LEU CD1 C 13 24.819 0.25 . 1 . . . . . . . . 6597 1 499 . 1 1 41 41 LEU CD2 C 13 23.117 0.25 . 1 . . . . . . . . 6597 1 500 . 1 1 41 41 LEU N N 15 116.188 0.15 . 1 . . . . . . . . 6597 1 501 . 1 1 42 42 GLY H H 1 8.613 0.01 . 1 . . . . . . . . 6597 1 502 . 1 1 42 42 GLY HA2 H 1 4.333 0.01 . 2 . . . . . . . . 6597 1 503 . 1 1 42 42 GLY HA3 H 1 3.533 0.01 . 2 . . . . . . . . 6597 1 504 . 1 1 42 42 GLY C C 13 174.004 0.25 . 1 . . . . . . . . 6597 1 505 . 1 1 42 42 GLY CA C 13 45.587 0.25 . 1 . . . . . . . . 6597 1 506 . 1 1 42 42 GLY N N 15 109.150 0.15 . 1 . . . . . . . . 6597 1 507 . 1 1 43 43 LYS H H 1 8.289 0.01 . 1 . . . . . . . . 6597 1 508 . 1 1 43 43 LYS HA H 1 4.729 0.01 . 1 . . . . . . . . 6597 1 509 . 1 1 43 43 LYS HB2 H 1 1.950 0.01 . 2 . . . . . . . . 6597 1 510 . 1 1 43 43 LYS HB3 H 1 2.274 0.01 . 2 . . . . . . . . 6597 1 511 . 1 1 43 43 LYS HG2 H 1 1.358 0.01 . 2 . . . . . . . . 6597 1 512 . 1 1 43 43 LYS HG3 H 1 1.440 0.01 . 2 . . . . . . . . 6597 1 513 . 1 1 43 43 LYS HD2 H 1 1.657 0.01 . 2 . . . . . . . . 6597 1 514 . 1 1 43 43 LYS HD3 H 1 1.784 0.01 . 2 . . . . . . . . 6597 1 515 . 1 1 43 43 LYS HE2 H 1 2.988 0.01 . 2 . . . . . . . . 6597 1 516 . 1 1 43 43 LYS C C 13 175.279 0.25 . 1 . . . . . . . . 6597 1 517 . 1 1 43 43 LYS CA C 13 54.563 0.25 . 1 . . . . . . . . 6597 1 518 . 1 1 43 43 LYS CB C 13 34.436 0.25 . 1 . . . . . . . . 6597 1 519 . 1 1 43 43 LYS CG C 13 25.700 0.25 . 1 . . . . . . . . 6597 1 520 . 1 1 43 43 LYS CD C 13 29.046 0.25 . 1 . . . . . . . . 6597 1 521 . 1 1 43 43 LYS CE C 13 42.560 0.25 . 1 . . . . . . . . 6597 1 522 . 1 1 43 43 LYS N N 15 120.296 0.15 . 1 . . . . . . . . 6597 1 523 . 1 1 44 44 ASN H H 1 9.477 0.01 . 1 . . . . . . . . 6597 1 524 . 1 1 44 44 ASN HA H 1 4.543 0.01 . 1 . . . . . . . . 6597 1 525 . 1 1 44 44 ASN HB2 H 1 2.766 0.01 . 2 . . . . . . . . 6597 1 526 . 1 1 44 44 ASN HB3 H 1 2.560 0.01 . 2 . . . . . . . . 6597 1 527 . 1 1 44 44 ASN HD21 H 1 6.769 0.01 . 2 . . . . . . . . 6597 1 528 . 1 1 44 44 ASN HD22 H 1 7.618 0.01 . 2 . . . . . . . . 6597 1 529 . 1 1 44 44 ASN C C 13 177.170 0.25 . 1 . . . . . . . . 6597 1 530 . 1 1 44 44 ASN CA C 13 53.703 0.25 . 1 . . . . . . . . 6597 1 531 . 1 1 44 44 ASN CB C 13 40.227 0.25 . 1 . . . . . . . . 6597 1 532 . 1 1 44 44 ASN N N 15 122.347 0.15 . 1 . . . . . . . . 6597 1 533 . 1 1 44 44 ASN ND2 N 15 112.726 0.15 . 1 . . . . . . . . 6597 1 534 . 1 1 45 45 ILE H H 1 7.670 0.01 . 1 . . . . . . . . 6597 1 535 . 1 1 45 45 ILE HA H 1 4.332 0.01 . 1 . . . . . . . . 6597 1 536 . 1 1 45 45 ILE HB H 1 1.293 0.01 . 1 . . . . . . . . 6597 1 537 . 1 1 45 45 ILE HG12 H 1 1.706 0.01 . 1 . . . . . . . . 6597 1 538 . 1 1 45 45 ILE HG13 H 1 1.310 0.01 . 1 . . . . . . . . 6597 1 539 . 1 1 45 45 ILE HG21 H 1 0.550 0.01 . 1 . . . . . . . . 6597 1 540 . 1 1 45 45 ILE HG22 H 1 0.550 0.01 . 1 . . . . . . . . 6597 1 541 . 1 1 45 45 ILE HG23 H 1 0.550 0.01 . 1 . . . . . . . . 6597 1 542 . 1 1 45 45 ILE HD11 H 1 0.933 0.01 . 1 . . . . . . . . 6597 1 543 . 1 1 45 45 ILE HD12 H 1 0.933 0.01 . 1 . . . . . . . . 6597 1 544 . 1 1 45 45 ILE HD13 H 1 0.933 0.01 . 1 . . . . . . . . 6597 1 545 . 1 1 45 45 ILE C C 13 175.699 0.25 . 1 . . . . . . . . 6597 1 546 . 1 1 45 45 ILE CA C 13 65.143 0.25 . 1 . . . . . . . . 6597 1 547 . 1 1 45 45 ILE CB C 13 38.232 0.25 . 1 . . . . . . . . 6597 1 548 . 1 1 45 45 ILE CG1 C 13 28.990 0.25 . 2 . . . . . . . . 6597 1 549 . 1 1 45 45 ILE CG2 C 13 15.080 0.25 . 1 . . . . . . . . 6597 1 550 . 1 1 45 45 ILE CD1 C 13 13.223 0.25 . 1 . . . . . . . . 6597 1 551 . 1 1 45 45 ILE N N 15 128.777 0.15 . 1 . . . . . . . . 6597 1 552 . 1 1 46 46 VAL H H 1 8.662 0.01 . 1 . . . . . . . . 6597 1 553 . 1 1 46 46 VAL HA H 1 3.520 0.01 . 1 . . . . . . . . 6597 1 554 . 1 1 46 46 VAL HB H 1 1.832 0.01 . 1 . . . . . . . . 6597 1 555 . 1 1 46 46 VAL HG11 H 1 0.802 0.01 . 2 . . . . . . . . 6597 1 556 . 1 1 46 46 VAL HG12 H 1 0.802 0.01 . 2 . . . . . . . . 6597 1 557 . 1 1 46 46 VAL HG13 H 1 0.802 0.01 . 2 . . . . . . . . 6597 1 558 . 1 1 46 46 VAL HG21 H 1 0.058 0.01 . 2 . . . . . . . . 6597 1 559 . 1 1 46 46 VAL HG22 H 1 0.058 0.01 . 2 . . . . . . . . 6597 1 560 . 1 1 46 46 VAL HG23 H 1 0.058 0.01 . 2 . . . . . . . . 6597 1 561 . 1 1 46 46 VAL C C 13 177.926 0.25 . 1 . . . . . . . . 6597 1 562 . 1 1 46 46 VAL CA C 13 65.630 0.25 . 1 . . . . . . . . 6597 1 563 . 1 1 46 46 VAL CB C 13 31.404 0.25 . 1 . . . . . . . . 6597 1 564 . 1 1 46 46 VAL CG1 C 13 22.050 0.25 . 1 . . . . . . . . 6597 1 565 . 1 1 46 46 VAL CG2 C 13 26.593 0.25 . 1 . . . . . . . . 6597 1 566 . 1 1 46 46 VAL N N 15 119.354 0.15 . 1 . . . . . . . . 6597 1 567 . 1 1 47 47 GLU H H 1 7.874 0.01 . 1 . . . . . . . . 6597 1 568 . 1 1 47 47 GLU HA H 1 3.970 0.01 . 1 . . . . . . . . 6597 1 569 . 1 1 47 47 GLU HB2 H 1 1.961 0.01 . 2 . . . . . . . . 6597 1 570 . 1 1 47 47 GLU HB3 H 1 1.778 0.01 . 2 . . . . . . . . 6597 1 571 . 1 1 47 47 GLU HG2 H 1 2.121 0.01 . 1 . . . . . . . . 6597 1 572 . 1 1 47 47 GLU HG3 H 1 2.121 0.01 . 1 . . . . . . . . 6597 1 573 . 1 1 47 47 GLU C C 13 177.520 0.25 . 1 . . . . . . . . 6597 1 574 . 1 1 47 47 GLU CA C 13 58.366 0.25 . 1 . . . . . . . . 6597 1 575 . 1 1 47 47 GLU CB C 13 29.092 0.25 . 1 . . . . . . . . 6597 1 576 . 1 1 47 47 GLU CG C 13 37.682 0.25 . 1 . . . . . . . . 6597 1 577 . 1 1 47 47 GLU N N 15 117.899 0.15 . 1 . . . . . . . . 6597 1 578 . 1 1 48 48 PHE H H 1 7.659 0.01 . 1 . . . . . . . . 6597 1 579 . 1 1 48 48 PHE HA H 1 4.151 0.01 . 1 . . . . . . . . 6597 1 580 . 1 1 48 48 PHE HB2 H 1 2.300 0.01 . 1 . . . . . . . . 6597 1 581 . 1 1 48 48 PHE HB3 H 1 2.300 0.01 . 1 . . . . . . . . 6597 1 582 . 1 1 48 48 PHE HD1 H 1 7.198 0.01 . 1 . . . . . . . . 6597 1 583 . 1 1 48 48 PHE HD2 H 1 7.198 0.01 . 1 . . . . . . . . 6597 1 584 . 1 1 48 48 PHE HE1 H 1 6.818 0.01 . 1 . . . . . . . . 6597 1 585 . 1 1 48 48 PHE HE2 H 1 6.818 0.01 . 1 . . . . . . . . 6597 1 586 . 1 1 48 48 PHE HZ H 1 6.936 0.01 . 1 . . . . . . . . 6597 1 587 . 1 1 48 48 PHE C C 13 172.946 0.25 . 1 . . . . . . . . 6597 1 588 . 1 1 48 48 PHE CA C 13 57.887 0.25 . 1 . . . . . . . . 6597 1 589 . 1 1 48 48 PHE CB C 13 39.647 0.25 . 1 . . . . . . . . 6597 1 590 . 1 1 48 48 PHE CD1 C 13 131.792 0.25 . 3 . . . . . . . . 6597 1 591 . 1 1 48 48 PHE CD2 C 13 131.992 0.25 . 3 . . . . . . . . 6597 1 592 . 1 1 48 48 PHE CE1 C 13 130.300 0.25 . 1 . . . . . . . . 6597 1 593 . 1 1 48 48 PHE CE2 C 13 130.300 0.25 . 1 . . . . . . . . 6597 1 594 . 1 1 48 48 PHE CZ C 13 129.147 0.25 . 1 . . . . . . . . 6597 1 595 . 1 1 48 48 PHE N N 15 117.296 0.15 . 1 . . . . . . . . 6597 1 596 . 1 1 49 49 CYS H H 1 7.404 0.01 . 1 . . . . . . . . 6597 1 597 . 1 1 49 49 CYS HA H 1 5.556 0.01 . 1 . . . . . . . . 6597 1 598 . 1 1 49 49 CYS HB2 H 1 3.204 0.01 . 2 . . . . . . . . 6597 1 599 . 1 1 49 49 CYS HB3 H 1 2.360 0.01 . 2 . . . . . . . . 6597 1 600 . 1 1 49 49 CYS C C 13 174.309 0.25 . 1 . . . . . . . . 6597 1 601 . 1 1 49 49 CYS CA C 13 56.984 0.25 . 1 . . . . . . . . 6597 1 602 . 1 1 49 49 CYS CB C 13 28.938 0.25 . 1 . . . . . . . . 6597 1 603 . 1 1 49 49 CYS N N 15 119.872 0.15 . 1 . . . . . . . . 6597 1 604 . 1 1 50 50 HIS H H 1 8.819 0.01 . 1 . . . . . . . . 6597 1 605 . 1 1 50 50 HIS HA H 1 3.785 0.01 . 1 . . . . . . . . 6597 1 606 . 1 1 50 50 HIS HB2 H 1 2.600 0.01 . 2 . . . . . . . . 6597 1 607 . 1 1 50 50 HIS HB3 H 1 1.885 0.01 . 2 . . . . . . . . 6597 1 608 . 1 1 50 50 HIS HD2 H 1 4.224 0.01 . 3 . . . . . . . . 6597 1 609 . 1 1 50 50 HIS HE1 H 1 7.408 0.01 . 3 . . . . . . . . 6597 1 610 . 1 1 50 50 HIS HE2 H 1 7.427 0.01 . 3 . . . . . . . . 6597 1 611 . 1 1 50 50 HIS CA C 13 56.984 0.25 . 1 . . . . . . . . 6597 1 612 . 1 1 50 50 HIS CB C 13 32.400 0.25 . 1 . . . . . . . . 6597 1 613 . 1 1 50 50 HIS CD2 C 13 115.737 0.25 . 1 . . . . . . . . 6597 1 614 . 1 1 50 50 HIS CE1 C 13 137.450 0.25 . 1 . . . . . . . . 6597 1 615 . 1 1 50 50 HIS N N 15 133.760 0.15 . 1 . . . . . . . . 6597 1 616 . 1 1 51 51 PRO HA H 1 4.105 0.01 . 1 . . . . . . . . 6597 1 617 . 1 1 51 51 PRO HB2 H 1 2.340 0.01 . 2 . . . . . . . . 6597 1 618 . 1 1 51 51 PRO HB3 H 1 1.896 0.01 . 2 . . . . . . . . 6597 1 619 . 1 1 51 51 PRO HG2 H 1 1.878 0.01 . 1 . . . . . . . . 6597 1 620 . 1 1 51 51 PRO HG3 H 1 1.878 0.01 . 1 . . . . . . . . 6597 1 621 . 1 1 51 51 PRO HD2 H 1 3.482 0.01 . 2 . . . . . . . . 6597 1 622 . 1 1 51 51 PRO HD3 H 1 2.205 0.01 . 2 . . . . . . . . 6597 1 623 . 1 1 51 51 PRO C C 13 179.483 0.25 . 1 . . . . . . . . 6597 1 624 . 1 1 51 51 PRO CA C 13 66.211 0.25 . 1 . . . . . . . . 6597 1 625 . 1 1 51 51 PRO CB C 13 32.607 0.25 . 1 . . . . . . . . 6597 1 626 . 1 1 51 51 PRO CG C 13 27.522 0.25 . 1 . . . . . . . . 6597 1 627 . 1 1 51 51 PRO CD C 13 50.868 0.25 . 1 . . . . . . . . 6597 1 628 . 1 1 52 52 GLU H H 1 11.121 0.01 . 1 . . . . . . . . 6597 1 629 . 1 1 52 52 GLU HA H 1 4.147 0.01 . 1 . . . . . . . . 6597 1 630 . 1 1 52 52 GLU HB2 H 1 2.030 0.01 . 2 . . . . . . . . 6597 1 631 . 1 1 52 52 GLU HB3 H 1 1.918 0.01 . 2 . . . . . . . . 6597 1 632 . 1 1 52 52 GLU HG2 H 1 2.437 0.01 . 1 . . . . . . . . 6597 1 633 . 1 1 52 52 GLU HG3 H 1 2.437 0.01 . 1 . . . . . . . . 6597 1 634 . 1 1 52 52 GLU C C 13 177.671 0.25 . 1 . . . . . . . . 6597 1 635 . 1 1 52 52 GLU CA C 13 58.621 0.25 . 1 . . . . . . . . 6597 1 636 . 1 1 52 52 GLU CB C 13 29.436 0.25 . 1 . . . . . . . . 6597 1 637 . 1 1 52 52 GLU CG C 13 37.500 0.25 . 1 . . . . . . . . 6597 1 638 . 1 1 52 52 GLU N N 15 119.692 0.15 . 1 . . . . . . . . 6597 1 639 . 1 1 53 53 ASP H H 1 8.205 0.01 . 1 . . . . . . . . 6597 1 640 . 1 1 53 53 ASP HA H 1 4.966 0.01 . 1 . . . . . . . . 6597 1 641 . 1 1 53 53 ASP HB2 H 1 3.160 0.01 . 2 . . . . . . . . 6597 1 642 . 1 1 53 53 ASP HB3 H 1 2.838 0.01 . 2 . . . . . . . . 6597 1 643 . 1 1 53 53 ASP C C 13 175.789 0.25 . 1 . . . . . . . . 6597 1 644 . 1 1 53 53 ASP CA C 13 54.216 0.25 . 1 . . . . . . . . 6597 1 645 . 1 1 53 53 ASP CB C 13 43.641 0.25 . 1 . . . . . . . . 6597 1 646 . 1 1 53 53 ASP N N 15 117.869 0.15 . 1 . . . . . . . . 6597 1 647 . 1 1 54 54 GLN H H 1 7.088 0.01 . 1 . . . . . . . . 6597 1 648 . 1 1 54 54 GLN HA H 1 4.057 0.01 . 1 . . . . . . . . 6597 1 649 . 1 1 54 54 GLN HB2 H 1 2.040 0.01 . 2 . . . . . . . . 6597 1 650 . 1 1 54 54 GLN HB3 H 1 1.833 0.01 . 2 . . . . . . . . 6597 1 651 . 1 1 54 54 GLN HG2 H 1 2.896 0.01 . 2 . . . . . . . . 6597 1 652 . 1 1 54 54 GLN HG3 H 1 2.218 0.01 . 2 . . . . . . . . 6597 1 653 . 1 1 54 54 GLN HE21 H 1 7.229 0.01 . 2 . . . . . . . . 6597 1 654 . 1 1 54 54 GLN HE22 H 1 6.950 0.01 . 2 . . . . . . . . 6597 1 655 . 1 1 54 54 GLN C C 13 177.574 0.25 . 1 . . . . . . . . 6597 1 656 . 1 1 54 54 GLN CA C 13 60.491 0.25 . 1 . . . . . . . . 6597 1 657 . 1 1 54 54 GLN CB C 13 28.486 0.25 . 1 . . . . . . . . 6597 1 658 . 1 1 54 54 GLN CG C 13 35.639 0.25 . 1 . . . . . . . . 6597 1 659 . 1 1 54 54 GLN N N 15 119.858 0.15 . 1 . . . . . . . . 6597 1 660 . 1 1 54 54 GLN NE2 N 15 111.056 0.15 . 1 . . . . . . . . 6597 1 661 . 1 1 55 55 GLN H H 1 8.740 0.01 . 1 . . . . . . . . 6597 1 662 . 1 1 55 55 GLN HA H 1 3.847 0.01 . 1 . . . . . . . . 6597 1 663 . 1 1 55 55 GLN HB2 H 1 2.098 0.01 . 1 . . . . . . . . 6597 1 664 . 1 1 55 55 GLN HB3 H 1 2.098 0.01 . 1 . . . . . . . . 6597 1 665 . 1 1 55 55 GLN HG2 H 1 2.410 0.01 . 1 . . . . . . . . 6597 1 666 . 1 1 55 55 GLN HG3 H 1 2.410 0.01 . 1 . . . . . . . . 6597 1 667 . 1 1 55 55 GLN HE21 H 1 7.952 0.01 . 2 . . . . . . . . 6597 1 668 . 1 1 55 55 GLN HE22 H 1 6.952 0.01 . 2 . . . . . . . . 6597 1 669 . 1 1 55 55 GLN C C 13 177.422 0.25 . 1 . . . . . . . . 6597 1 670 . 1 1 55 55 GLN CA C 13 59.037 0.25 . 1 . . . . . . . . 6597 1 671 . 1 1 55 55 GLN CB C 13 27.531 0.25 . 1 . . . . . . . . 6597 1 672 . 1 1 55 55 GLN CG C 13 33.393 0.25 . 1 . . . . . . . . 6597 1 673 . 1 1 55 55 GLN N N 15 119.516 0.15 . 1 . . . . . . . . 6597 1 674 . 1 1 55 55 GLN NE2 N 15 116.090 0.15 . 1 . . . . . . . . 6597 1 675 . 1 1 56 56 LEU H H 1 7.875 0.01 . 1 . . . . . . . . 6597 1 676 . 1 1 56 56 LEU HA H 1 4.188 0.01 . 1 . . . . . . . . 6597 1 677 . 1 1 56 56 LEU HB2 H 1 1.831 0.01 . 2 . . . . . . . . 6597 1 678 . 1 1 56 56 LEU HB3 H 1 1.862 0.01 . 2 . . . . . . . . 6597 1 679 . 1 1 56 56 LEU HG H 1 1.730 0.01 . 1 . . . . . . . . 6597 1 680 . 1 1 56 56 LEU HD11 H 1 1.106 0.01 . 2 . . . . . . . . 6597 1 681 . 1 1 56 56 LEU HD12 H 1 1.106 0.01 . 2 . . . . . . . . 6597 1 682 . 1 1 56 56 LEU HD13 H 1 1.106 0.01 . 2 . . . . . . . . 6597 1 683 . 1 1 56 56 LEU HD21 H 1 1.081 0.01 . 2 . . . . . . . . 6597 1 684 . 1 1 56 56 LEU HD22 H 1 1.081 0.01 . 2 . . . . . . . . 6597 1 685 . 1 1 56 56 LEU HD23 H 1 1.081 0.01 . 2 . . . . . . . . 6597 1 686 . 1 1 56 56 LEU C C 13 180.382 0.25 . 1 . . . . . . . . 6597 1 687 . 1 1 56 56 LEU CA C 13 57.872 0.25 . 1 . . . . . . . . 6597 1 688 . 1 1 56 56 LEU CB C 13 41.616 0.25 . 1 . . . . . . . . 6597 1 689 . 1 1 56 56 LEU CG C 13 26.880 0.25 . 1 . . . . . . . . 6597 1 690 . 1 1 56 56 LEU CD1 C 13 25.573 0.25 . 1 . . . . . . . . 6597 1 691 . 1 1 56 56 LEU CD2 C 13 24.910 0.25 . 1 . . . . . . . . 6597 1 692 . 1 1 56 56 LEU N N 15 120.260 0.15 . 1 . . . . . . . . 6597 1 693 . 1 1 57 57 LEU H H 1 7.797 0.01 . 1 . . . . . . . . 6597 1 694 . 1 1 57 57 LEU HA H 1 3.960 0.01 . 1 . . . . . . . . 6597 1 695 . 1 1 57 57 LEU HB2 H 1 1.674 0.01 . 2 . . . . . . . . 6597 1 696 . 1 1 57 57 LEU HB3 H 1 1.096 0.01 . 2 . . . . . . . . 6597 1 697 . 1 1 57 57 LEU HG H 1 1.105 0.01 . 1 . . . . . . . . 6597 1 698 . 1 1 57 57 LEU HD11 H 1 0.062 0.01 . 2 . . . . . . . . 6597 1 699 . 1 1 57 57 LEU HD12 H 1 0.062 0.01 . 2 . . . . . . . . 6597 1 700 . 1 1 57 57 LEU HD13 H 1 0.062 0.01 . 2 . . . . . . . . 6597 1 701 . 1 1 57 57 LEU HD21 H 1 0.258 0.01 . 2 . . . . . . . . 6597 1 702 . 1 1 57 57 LEU HD22 H 1 0.258 0.01 . 2 . . . . . . . . 6597 1 703 . 1 1 57 57 LEU HD23 H 1 0.258 0.01 . 2 . . . . . . . . 6597 1 704 . 1 1 57 57 LEU C C 13 178.888 0.25 . 1 . . . . . . . . 6597 1 705 . 1 1 57 57 LEU CA C 13 57.925 0.25 . 1 . . . . . . . . 6597 1 706 . 1 1 57 57 LEU CB C 13 42.218 0.25 . 1 . . . . . . . . 6597 1 707 . 1 1 57 57 LEU CG C 13 26.400 0.25 . 1 . . . . . . . . 6597 1 708 . 1 1 57 57 LEU CD1 C 13 26.361 0.25 . 1 . . . . . . . . 6597 1 709 . 1 1 57 57 LEU CD2 C 13 22.932 0.25 . 1 . . . . . . . . 6597 1 710 . 1 1 57 57 LEU N N 15 122.122 0.15 . 1 . . . . . . . . 6597 1 711 . 1 1 58 58 ARG H H 1 8.630 0.01 . 1 . . . . . . . . 6597 1 712 . 1 1 58 58 ARG HA H 1 3.860 0.01 . 1 . . . . . . . . 6597 1 713 . 1 1 58 58 ARG HB2 H 1 1.863 0.01 . 2 . . . . . . . . 6597 1 714 . 1 1 58 58 ARG HB3 H 1 1.821 0.01 . 2 . . . . . . . . 6597 1 715 . 1 1 58 58 ARG HG2 H 1 1.780 0.01 . 2 . . . . . . . . 6597 1 716 . 1 1 58 58 ARG HG3 H 1 1.569 0.01 . 2 . . . . . . . . 6597 1 717 . 1 1 58 58 ARG HD2 H 1 3.202 0.01 . 2 . . . . . . . . 6597 1 718 . 1 1 58 58 ARG HD3 H 1 3.106 0.01 . 2 . . . . . . . . 6597 1 719 . 1 1 58 58 ARG HE H 1 7.273 0.01 . 1 . . . . . . . . 6597 1 720 . 1 1 58 58 ARG C C 13 180.119 0.25 . 1 . . . . . . . . 6597 1 721 . 1 1 58 58 ARG CA C 13 60.381 0.25 . 1 . . . . . . . . 6597 1 722 . 1 1 58 58 ARG CB C 13 30.324 0.25 . 1 . . . . . . . . 6597 1 723 . 1 1 58 58 ARG CG C 13 28.657 0.25 . 1 . . . . . . . . 6597 1 724 . 1 1 58 58 ARG CD C 13 43.520 0.25 . 1 . . . . . . . . 6597 1 725 . 1 1 58 58 ARG N N 15 119.936 0.15 . 1 . . . . . . . . 6597 1 726 . 1 1 58 58 ARG NE N 15 84.950 0.15 . 1 . . . . . . . . 6597 1 727 . 1 1 59 59 ASP H H 1 8.885 0.01 . 1 . . . . . . . . 6597 1 728 . 1 1 59 59 ASP HA H 1 4.386 0.01 . 1 . . . . . . . . 6597 1 729 . 1 1 59 59 ASP HB2 H 1 2.878 0.01 . 2 . . . . . . . . 6597 1 730 . 1 1 59 59 ASP HB3 H 1 2.630 0.01 . 2 . . . . . . . . 6597 1 731 . 1 1 59 59 ASP C C 13 179.040 0.25 . 1 . . . . . . . . 6597 1 732 . 1 1 59 59 ASP CA C 13 57.553 0.25 . 1 . . . . . . . . 6597 1 733 . 1 1 59 59 ASP CB C 13 40.209 0.25 . 1 . . . . . . . . 6597 1 734 . 1 1 59 59 ASP N N 15 119.748 0.15 . 1 . . . . . . . . 6597 1 735 . 1 1 60 60 SER H H 1 7.982 0.01 . 1 . . . . . . . . 6597 1 736 . 1 1 60 60 SER HA H 1 4.124 0.01 . 1 . . . . . . . . 6597 1 737 . 1 1 60 60 SER HB2 H 1 4.124 0.01 . 2 . . . . . . . . 6597 1 738 . 1 1 60 60 SER HB3 H 1 3.920 0.01 . 2 . . . . . . . . 6597 1 739 . 1 1 60 60 SER HG H 1 5.196 0.01 . 1 . . . . . . . . 6597 1 740 . 1 1 60 60 SER C C 13 175.933 0.25 . 1 . . . . . . . . 6597 1 741 . 1 1 60 60 SER CA C 13 62.676 0.25 . 1 . . . . . . . . 6597 1 742 . 1 1 60 60 SER CB C 13 62.896 0.25 . 1 . . . . . . . . 6597 1 743 . 1 1 60 60 SER N N 15 117.294 0.15 . 1 . . . . . . . . 6597 1 744 . 1 1 61 61 PHE H H 1 7.854 0.01 . 1 . . . . . . . . 6597 1 745 . 1 1 61 61 PHE HA H 1 3.991 0.01 . 1 . . . . . . . . 6597 1 746 . 1 1 61 61 PHE HB2 H 1 3.032 0.01 . 2 . . . . . . . . 6597 1 747 . 1 1 61 61 PHE HB3 H 1 2.940 0.01 . 2 . . . . . . . . 6597 1 748 . 1 1 61 61 PHE HD1 H 1 7.037 0.01 . 1 . . . . . . . . 6597 1 749 . 1 1 61 61 PHE HD2 H 1 7.037 0.01 . 1 . . . . . . . . 6597 1 750 . 1 1 61 61 PHE HE1 H 1 6.687 0.01 . 1 . . . . . . . . 6597 1 751 . 1 1 61 61 PHE HE2 H 1 6.687 0.01 . 1 . . . . . . . . 6597 1 752 . 1 1 61 61 PHE HZ H 1 6.312 0.01 . 1 . . . . . . . . 6597 1 753 . 1 1 61 61 PHE C C 13 178.169 0.25 . 1 . . . . . . . . 6597 1 754 . 1 1 61 61 PHE CA C 13 61.973 0.25 . 1 . . . . . . . . 6597 1 755 . 1 1 61 61 PHE CB C 13 38.552 0.25 . 1 . . . . . . . . 6597 1 756 . 1 1 61 61 PHE CD1 C 13 129.950 0.25 . 3 . . . . . . . . 6597 1 757 . 1 1 61 61 PHE CD2 C 13 131.312 0.25 . 3 . . . . . . . . 6597 1 758 . 1 1 61 61 PHE CE1 C 13 129.950 0.25 . 3 . . . . . . . . 6597 1 759 . 1 1 61 61 PHE CE2 C 13 130.721 0.25 . 3 . . . . . . . . 6597 1 760 . 1 1 61 61 PHE CZ C 13 128.500 0.25 . 1 . . . . . . . . 6597 1 761 . 1 1 61 61 PHE N N 15 120.999 0.15 . 1 . . . . . . . . 6597 1 762 . 1 1 62 62 GLN H H 1 7.706 0.01 . 1 . . . . . . . . 6597 1 763 . 1 1 62 62 GLN HA H 1 4.121 0.01 . 1 . . . . . . . . 6597 1 764 . 1 1 62 62 GLN HB2 H 1 2.270 0.01 . 2 . . . . . . . . 6597 1 765 . 1 1 62 62 GLN HB3 H 1 2.177 0.01 . 2 . . . . . . . . 6597 1 766 . 1 1 62 62 GLN HG2 H 1 2.581 0.01 . 2 . . . . . . . . 6597 1 767 . 1 1 62 62 GLN HG3 H 1 2.396 0.01 . 2 . . . . . . . . 6597 1 768 . 1 1 62 62 GLN HE21 H 1 7.518 0.01 . 2 . . . . . . . . 6597 1 769 . 1 1 62 62 GLN HE22 H 1 6.873 0.01 . 2 . . . . . . . . 6597 1 770 . 1 1 62 62 GLN C C 13 178.805 0.25 . 1 . . . . . . . . 6597 1 771 . 1 1 62 62 GLN CA C 13 58.764 0.25 . 1 . . . . . . . . 6597 1 772 . 1 1 62 62 GLN CB C 13 28.720 0.25 . 1 . . . . . . . . 6597 1 773 . 1 1 62 62 GLN CG C 13 34.389 0.25 . 1 . . . . . . . . 6597 1 774 . 1 1 62 62 GLN CD C 13 180.300 0.25 . 1 . . . . . . . . 6597 1 775 . 1 1 62 62 GLN N N 15 116.992 0.15 . 1 . . . . . . . . 6597 1 776 . 1 1 62 62 GLN NE2 N 15 111.800 0.15 . 1 . . . . . . . . 6597 1 777 . 1 1 63 63 GLN H H 1 8.254 0.01 . 1 . . . . . . . . 6597 1 778 . 1 1 63 63 GLN HA H 1 4.075 0.01 . 1 . . . . . . . . 6597 1 779 . 1 1 63 63 GLN HB2 H 1 2.134 0.01 . 2 . . . . . . . . 6597 1 780 . 1 1 63 63 GLN HB3 H 1 2.034 0.01 . 2 . . . . . . . . 6597 1 781 . 1 1 63 63 GLN HG2 H 1 2.440 0.01 . 1 . . . . . . . . 6597 1 782 . 1 1 63 63 GLN HG3 H 1 2.440 0.01 . 1 . . . . . . . . 6597 1 783 . 1 1 63 63 GLN HE21 H 1 7.308 0.01 . 2 . . . . . . . . 6597 1 784 . 1 1 63 63 GLN HE22 H 1 6.798 0.01 . 2 . . . . . . . . 6597 1 785 . 1 1 63 63 GLN C C 13 178.929 0.25 . 1 . . . . . . . . 6597 1 786 . 1 1 63 63 GLN CA C 13 58.366 0.25 . 1 . . . . . . . . 6597 1 787 . 1 1 63 63 GLN CB C 13 28.832 0.25 . 1 . . . . . . . . 6597 1 788 . 1 1 63 63 GLN CG C 13 33.724 0.25 . 1 . . . . . . . . 6597 1 789 . 1 1 63 63 GLN CD C 13 179.865 0.25 . 1 . . . . . . . . 6597 1 790 . 1 1 63 63 GLN N N 15 118.945 0.15 . 1 . . . . . . . . 6597 1 791 . 1 1 63 63 GLN NE2 N 15 110.800 0.15 . 1 . . . . . . . . 6597 1 792 . 1 1 64 64 VAL H H 1 8.538 0.01 . 1 . . . . . . . . 6597 1 793 . 1 1 64 64 VAL HA H 1 3.736 0.01 . 1 . . . . . . . . 6597 1 794 . 1 1 64 64 VAL HB H 1 2.135 0.01 . 1 . . . . . . . . 6597 1 795 . 1 1 64 64 VAL HG11 H 1 0.981 0.01 . 2 . . . . . . . . 6597 1 796 . 1 1 64 64 VAL HG12 H 1 0.981 0.01 . 2 . . . . . . . . 6597 1 797 . 1 1 64 64 VAL HG13 H 1 0.981 0.01 . 2 . . . . . . . . 6597 1 798 . 1 1 64 64 VAL HG21 H 1 0.832 0.01 . 2 . . . . . . . . 6597 1 799 . 1 1 64 64 VAL HG22 H 1 0.832 0.01 . 2 . . . . . . . . 6597 1 800 . 1 1 64 64 VAL HG23 H 1 0.832 0.01 . 2 . . . . . . . . 6597 1 801 . 1 1 64 64 VAL C C 13 177.297 0.25 . 1 . . . . . . . . 6597 1 802 . 1 1 64 64 VAL CA C 13 65.896 0.25 . 1 . . . . . . . . 6597 1 803 . 1 1 64 64 VAL CB C 13 31.225 0.25 . 1 . . . . . . . . 6597 1 804 . 1 1 64 64 VAL CG1 C 13 23.894 0.25 . 1 . . . . . . . . 6597 1 805 . 1 1 64 64 VAL CG2 C 13 21.271 0.25 . 1 . . . . . . . . 6597 1 806 . 1 1 64 64 VAL N N 15 119.790 0.15 . 1 . . . . . . . . 6597 1 807 . 1 1 65 65 VAL H H 1 6.759 0.01 . 1 . . . . . . . . 6597 1 808 . 1 1 65 65 VAL HA H 1 3.811 0.01 . 1 . . . . . . . . 6597 1 809 . 1 1 65 65 VAL HB H 1 2.208 0.01 . 1 . . . . . . . . 6597 1 810 . 1 1 65 65 VAL HG11 H 1 1.050 0.01 . 2 . . . . . . . . 6597 1 811 . 1 1 65 65 VAL HG12 H 1 1.050 0.01 . 2 . . . . . . . . 6597 1 812 . 1 1 65 65 VAL HG13 H 1 1.050 0.01 . 2 . . . . . . . . 6597 1 813 . 1 1 65 65 VAL HG21 H 1 0.981 0.01 . 2 . . . . . . . . 6597 1 814 . 1 1 65 65 VAL HG22 H 1 0.981 0.01 . 2 . . . . . . . . 6597 1 815 . 1 1 65 65 VAL HG23 H 1 0.981 0.01 . 2 . . . . . . . . 6597 1 816 . 1 1 65 65 VAL C C 13 177.585 0.25 . 1 . . . . . . . . 6597 1 817 . 1 1 65 65 VAL CA C 13 64.715 0.25 . 1 . . . . . . . . 6597 1 818 . 1 1 65 65 VAL CB C 13 31.787 0.25 . 1 . . . . . . . . 6597 1 819 . 1 1 65 65 VAL CG1 C 13 22.031 0.25 . 1 . . . . . . . . 6597 1 820 . 1 1 65 65 VAL CG2 C 13 21.545 0.25 . 1 . . . . . . . . 6597 1 821 . 1 1 65 65 VAL N N 15 116.100 0.15 . 1 . . . . . . . . 6597 1 822 . 1 1 66 66 LYS H H 1 7.404 0.01 . 1 . . . . . . . . 6597 1 823 . 1 1 66 66 LYS HA H 1 4.200 0.01 . 1 . . . . . . . . 6597 1 824 . 1 1 66 66 LYS HB2 H 1 1.957 0.01 . 2 . . . . . . . . 6597 1 825 . 1 1 66 66 LYS HB3 H 1 1.884 0.01 . 2 . . . . . . . . 6597 1 826 . 1 1 66 66 LYS HG2 H 1 1.568 0.01 . 2 . . . . . . . . 6597 1 827 . 1 1 66 66 LYS HG3 H 1 1.440 0.01 . 2 . . . . . . . . 6597 1 828 . 1 1 66 66 LYS HD2 H 1 1.679 0.01 . 1 . . . . . . . . 6597 1 829 . 1 1 66 66 LYS HD3 H 1 1.679 0.01 . 1 . . . . . . . . 6597 1 830 . 1 1 66 66 LYS HE2 H 1 2.975 0.01 . 1 . . . . . . . . 6597 1 831 . 1 1 66 66 LYS HE3 H 1 2.975 0.01 . 1 . . . . . . . . 6597 1 832 . 1 1 66 66 LYS C C 13 177.837 0.25 . 1 . . . . . . . . 6597 1 833 . 1 1 66 66 LYS CA C 13 57.897 0.25 . 1 . . . . . . . . 6597 1 834 . 1 1 66 66 LYS CB C 13 32.881 0.25 . 1 . . . . . . . . 6597 1 835 . 1 1 66 66 LYS CG C 13 25.341 0.25 . 1 . . . . . . . . 6597 1 836 . 1 1 66 66 LYS CD C 13 29.204 0.25 . 1 . . . . . . . . 6597 1 837 . 1 1 66 66 LYS CE C 13 38.800 0.25 . 1 . . . . . . . . 6597 1 838 . 1 1 66 66 LYS N N 15 119.872 0.15 . 1 . . . . . . . . 6597 1 839 . 1 1 67 67 LEU H H 1 7.757 0.01 . 1 . . . . . . . . 6597 1 840 . 1 1 67 67 LEU HA H 1 4.377 0.01 . 1 . . . . . . . . 6597 1 841 . 1 1 67 67 LEU HB2 H 1 1.800 0.01 . 2 . . . . . . . . 6597 1 842 . 1 1 67 67 LEU HB3 H 1 1.525 0.01 . 2 . . . . . . . . 6597 1 843 . 1 1 67 67 LEU HG H 1 1.730 0.01 . 1 . . . . . . . . 6597 1 844 . 1 1 67 67 LEU HD11 H 1 0.853 0.01 . 2 . . . . . . . . 6597 1 845 . 1 1 67 67 LEU HD12 H 1 0.853 0.01 . 2 . . . . . . . . 6597 1 846 . 1 1 67 67 LEU HD13 H 1 0.853 0.01 . 2 . . . . . . . . 6597 1 847 . 1 1 67 67 LEU HD21 H 1 0.806 0.01 . 2 . . . . . . . . 6597 1 848 . 1 1 67 67 LEU HD22 H 1 0.806 0.01 . 2 . . . . . . . . 6597 1 849 . 1 1 67 67 LEU HD23 H 1 0.806 0.01 . 2 . . . . . . . . 6597 1 850 . 1 1 67 67 LEU C C 13 176.810 0.25 . 1 . . . . . . . . 6597 1 851 . 1 1 67 67 LEU CA C 13 54.253 0.25 . 1 . . . . . . . . 6597 1 852 . 1 1 67 67 LEU CB C 13 41.551 0.25 . 1 . . . . . . . . 6597 1 853 . 1 1 67 67 LEU CG C 13 26.705 0.25 . 1 . . . . . . . . 6597 1 854 . 1 1 67 67 LEU CD1 C 13 22.434 0.25 . 1 . . . . . . . . 6597 1 855 . 1 1 67 67 LEU CD2 C 13 22.434 0.25 . 1 . . . . . . . . 6597 1 856 . 1 1 67 67 LEU N N 15 119.734 0.15 . 1 . . . . . . . . 6597 1 857 . 1 1 68 68 LYS H H 1 7.552 0.01 . 1 . . . . . . . . 6597 1 858 . 1 1 68 68 LYS HA H 1 3.996 0.01 . 1 . . . . . . . . 6597 1 859 . 1 1 68 68 LYS HB2 H 1 1.834 0.01 . 2 . . . . . . . . 6597 1 860 . 1 1 68 68 LYS HB3 H 1 1.741 0.01 . 2 . . . . . . . . 6597 1 861 . 1 1 68 68 LYS HG2 H 1 1.405 0.01 . 2 . . . . . . . . 6597 1 862 . 1 1 68 68 LYS HG3 H 1 1.307 0.01 . 2 . . . . . . . . 6597 1 863 . 1 1 68 68 LYS HD2 H 1 1.668 0.01 . 1 . . . . . . . . 6597 1 864 . 1 1 68 68 LYS HD3 H 1 1.668 0.01 . 1 . . . . . . . . 6597 1 865 . 1 1 68 68 LYS HE2 H 1 2.975 0.01 . 1 . . . . . . . . 6597 1 866 . 1 1 68 68 LYS HE3 H 1 2.975 0.01 . 1 . . . . . . . . 6597 1 867 . 1 1 68 68 LYS C C 13 176.702 0.25 . 1 . . . . . . . . 6597 1 868 . 1 1 68 68 LYS CA C 13 57.736 0.25 . 1 . . . . . . . . 6597 1 869 . 1 1 68 68 LYS CB C 13 31.641 0.25 . 1 . . . . . . . . 6597 1 870 . 1 1 68 68 LYS CG C 13 24.892 0.25 . 1 . . . . . . . . 6597 1 871 . 1 1 68 68 LYS CD C 13 29.490 0.25 . 1 . . . . . . . . 6597 1 872 . 1 1 68 68 LYS CE C 13 42.285 0.25 . 1 . . . . . . . . 6597 1 873 . 1 1 68 68 LYS N N 15 117.932 0.15 . 1 . . . . . . . . 6597 1 874 . 1 1 69 69 GLY H H 1 8.583 0.01 . 1 . . . . . . . . 6597 1 875 . 1 1 69 69 GLY HA2 H 1 4.378 0.01 . 2 . . . . . . . . 6597 1 876 . 1 1 69 69 GLY HA3 H 1 3.890 0.01 . 2 . . . . . . . . 6597 1 877 . 1 1 69 69 GLY C C 13 174.240 0.25 . 1 . . . . . . . . 6597 1 878 . 1 1 69 69 GLY CA C 13 45.582 0.25 . 1 . . . . . . . . 6597 1 879 . 1 1 69 69 GLY N N 15 111.508 0.15 . 1 . . . . . . . . 6597 1 880 . 1 1 70 70 GLN H H 1 7.591 0.01 . 1 . . . . . . . . 6597 1 881 . 1 1 70 70 GLN HA H 1 4.569 0.01 . 1 . . . . . . . . 6597 1 882 . 1 1 70 70 GLN HB2 H 1 2.195 0.01 . 2 . . . . . . . . 6597 1 883 . 1 1 70 70 GLN HB3 H 1 2.028 0.01 . 2 . . . . . . . . 6597 1 884 . 1 1 70 70 GLN HG2 H 1 2.397 0.01 . 1 . . . . . . . . 6597 1 885 . 1 1 70 70 GLN HG3 H 1 2.397 0.01 . 1 . . . . . . . . 6597 1 886 . 1 1 70 70 GLN HE21 H 1 7.668 0.01 . 2 . . . . . . . . 6597 1 887 . 1 1 70 70 GLN HE22 H 1 6.908 0.01 . 2 . . . . . . . . 6597 1 888 . 1 1 70 70 GLN C C 13 175.070 0.25 . 1 . . . . . . . . 6597 1 889 . 1 1 70 70 GLN CA C 13 55.176 0.25 . 1 . . . . . . . . 6597 1 890 . 1 1 70 70 GLN CB C 13 30.000 0.25 . 1 . . . . . . . . 6597 1 891 . 1 1 70 70 GLN CG C 13 34.097 0.25 . 1 . . . . . . . . 6597 1 892 . 1 1 70 70 GLN N N 15 118.403 0.15 . 1 . . . . . . . . 6597 1 893 . 1 1 70 70 GLN NE2 N 15 113.230 0.15 . 1 . . . . . . . . 6597 1 894 . 1 1 71 71 VAL H H 1 8.360 0.01 . 1 . . . . . . . . 6597 1 895 . 1 1 71 71 VAL HA H 1 4.856 0.01 . 1 . . . . . . . . 6597 1 896 . 1 1 71 71 VAL HB H 1 1.939 0.01 . 1 . . . . . . . . 6597 1 897 . 1 1 71 71 VAL HG11 H 1 0.903 0.01 . 4 . . . . . . . . 6597 1 898 . 1 1 71 71 VAL HG12 H 1 0.903 0.01 . 4 . . . . . . . . 6597 1 899 . 1 1 71 71 VAL HG13 H 1 0.903 0.01 . 4 . . . . . . . . 6597 1 900 . 1 1 71 71 VAL HG21 H 1 0.903 0.01 . 4 . . . . . . . . 6597 1 901 . 1 1 71 71 VAL HG22 H 1 0.903 0.01 . 4 . . . . . . . . 6597 1 902 . 1 1 71 71 VAL HG23 H 1 0.903 0.01 . 4 . . . . . . . . 6597 1 903 . 1 1 71 71 VAL C C 13 176.177 0.25 . 1 . . . . . . . . 6597 1 904 . 1 1 71 71 VAL CA C 13 61.894 0.25 . 1 . . . . . . . . 6597 1 905 . 1 1 71 71 VAL CB C 13 33.201 0.25 . 1 . . . . . . . . 6597 1 906 . 1 1 71 71 VAL CG1 C 13 21.712 0.25 . 1 . . . . . . . . 6597 1 907 . 1 1 71 71 VAL CG2 C 13 21.712 0.25 . 1 . . . . . . . . 6597 1 908 . 1 1 71 71 VAL N N 15 121.432 0.15 . 1 . . . . . . . . 6597 1 909 . 1 1 72 72 LEU H H 1 8.911 0.01 . 1 . . . . . . . . 6597 1 910 . 1 1 72 72 LEU HA H 1 4.765 0.01 . 1 . . . . . . . . 6597 1 911 . 1 1 72 72 LEU HB2 H 1 1.640 0.01 . 2 . . . . . . . . 6597 1 912 . 1 1 72 72 LEU HB3 H 1 1.432 0.01 . 2 . . . . . . . . 6597 1 913 . 1 1 72 72 LEU HG H 1 1.591 0.01 . 1 . . . . . . . . 6597 1 914 . 1 1 72 72 LEU HD11 H 1 0.902 0.01 . 2 . . . . . . . . 6597 1 915 . 1 1 72 72 LEU HD12 H 1 0.902 0.01 . 2 . . . . . . . . 6597 1 916 . 1 1 72 72 LEU HD13 H 1 0.902 0.01 . 2 . . . . . . . . 6597 1 917 . 1 1 72 72 LEU HD21 H 1 0.845 0.01 . 2 . . . . . . . . 6597 1 918 . 1 1 72 72 LEU HD22 H 1 0.845 0.01 . 2 . . . . . . . . 6597 1 919 . 1 1 72 72 LEU HD23 H 1 0.845 0.01 . 2 . . . . . . . . 6597 1 920 . 1 1 72 72 LEU C C 13 175.845 0.25 . 1 . . . . . . . . 6597 1 921 . 1 1 72 72 LEU CA C 13 53.770 0.25 . 1 . . . . . . . . 6597 1 922 . 1 1 72 72 LEU CB C 13 45.312 0.25 . 1 . . . . . . . . 6597 1 923 . 1 1 72 72 LEU CG C 13 27.600 0.25 . 1 . . . . . . . . 6597 1 924 . 1 1 72 72 LEU CD1 C 13 24.949 0.25 . 1 . . . . . . . . 6597 1 925 . 1 1 72 72 LEU CD2 C 13 25.800 0.25 . 1 . . . . . . . . 6597 1 926 . 1 1 72 72 LEU N N 15 129.612 0.15 . 1 . . . . . . . . 6597 1 927 . 1 1 73 73 SER H H 1 8.558 0.01 . 1 . . . . . . . . 6597 1 928 . 1 1 73 73 SER HA H 1 5.894 0.01 . 1 . . . . . . . . 6597 1 929 . 1 1 73 73 SER HB2 H 1 3.644 0.01 . 1 . . . . . . . . 6597 1 930 . 1 1 73 73 SER HB3 H 1 3.644 0.01 . 1 . . . . . . . . 6597 1 931 . 1 1 73 73 SER C C 13 173.299 0.25 . 1 . . . . . . . . 6597 1 932 . 1 1 73 73 SER CA C 13 57.031 0.25 . 1 . . . . . . . . 6597 1 933 . 1 1 73 73 SER CB C 13 65.635 0.25 . 1 . . . . . . . . 6597 1 934 . 1 1 73 73 SER N N 15 118.130 0.15 . 1 . . . . . . . . 6597 1 935 . 1 1 74 74 VAL H H 1 9.057 0.01 . 1 . . . . . . . . 6597 1 936 . 1 1 74 74 VAL HA H 1 4.664 0.01 . 1 . . . . . . . . 6597 1 937 . 1 1 74 74 VAL HB H 1 2.072 0.01 . 1 . . . . . . . . 6597 1 938 . 1 1 74 74 VAL HG11 H 1 1.022 0.01 . 2 . . . . . . . . 6597 1 939 . 1 1 74 74 VAL HG12 H 1 1.022 0.01 . 2 . . . . . . . . 6597 1 940 . 1 1 74 74 VAL HG13 H 1 1.022 0.01 . 2 . . . . . . . . 6597 1 941 . 1 1 74 74 VAL HG21 H 1 0.979 0.01 . 2 . . . . . . . . 6597 1 942 . 1 1 74 74 VAL HG22 H 1 0.979 0.01 . 2 . . . . . . . . 6597 1 943 . 1 1 74 74 VAL HG23 H 1 0.979 0.01 . 2 . . . . . . . . 6597 1 944 . 1 1 74 74 VAL C C 13 171.957 0.25 . 1 . . . . . . . . 6597 1 945 . 1 1 74 74 VAL CA C 13 60.238 0.25 . 1 . . . . . . . . 6597 1 946 . 1 1 74 74 VAL CB C 13 35.909 0.25 . 1 . . . . . . . . 6597 1 947 . 1 1 74 74 VAL CG1 C 13 21.379 0.25 . 1 . . . . . . . . 6597 1 948 . 1 1 74 74 VAL CG2 C 13 20.071 0.25 . 1 . . . . . . . . 6597 1 949 . 1 1 74 74 VAL N N 15 123.664 0.15 . 1 . . . . . . . . 6597 1 950 . 1 1 75 75 MET H H 1 8.227 0.01 . 1 . . . . . . . . 6597 1 951 . 1 1 75 75 MET HA H 1 6.164 0.01 . 1 . . . . . . . . 6597 1 952 . 1 1 75 75 MET HB2 H 1 2.161 0.01 . 2 . . . . . . . . 6597 1 953 . 1 1 75 75 MET HB3 H 1 1.975 0.01 . 2 . . . . . . . . 6597 1 954 . 1 1 75 75 MET HG2 H 1 2.641 0.01 . 2 . . . . . . . . 6597 1 955 . 1 1 75 75 MET HG3 H 1 2.536 0.01 . 2 . . . . . . . . 6597 1 956 . 1 1 75 75 MET HE1 H 1 1.853 0.01 . 1 . . . . . . . . 6597 1 957 . 1 1 75 75 MET HE2 H 1 1.853 0.01 . 1 . . . . . . . . 6597 1 958 . 1 1 75 75 MET HE3 H 1 1.853 0.01 . 1 . . . . . . . . 6597 1 959 . 1 1 75 75 MET C C 13 175.153 0.25 . 1 . . . . . . . . 6597 1 960 . 1 1 75 75 MET CA C 13 53.924 0.25 . 1 . . . . . . . . 6597 1 961 . 1 1 75 75 MET CB C 13 35.361 0.25 . 1 . . . . . . . . 6597 1 962 . 1 1 75 75 MET CG C 13 32.127 0.25 . 1 . . . . . . . . 6597 1 963 . 1 1 75 75 MET CE C 13 17.123 0.25 . 1 . . . . . . . . 6597 1 964 . 1 1 75 75 MET N N 15 124.869 0.15 . 1 . . . . . . . . 6597 1 965 . 1 1 76 76 PHE H H 1 9.270 0.01 . 1 . . . . . . . . 6597 1 966 . 1 1 76 76 PHE HA H 1 4.970 0.01 . 1 . . . . . . . . 6597 1 967 . 1 1 76 76 PHE HB2 H 1 3.233 0.01 . 2 . . . . . . . . 6597 1 968 . 1 1 76 76 PHE HB3 H 1 3.165 0.01 . 2 . . . . . . . . 6597 1 969 . 1 1 76 76 PHE HD1 H 1 7.310 0.01 . 1 . . . . . . . . 6597 1 970 . 1 1 76 76 PHE HD2 H 1 7.310 0.01 . 1 . . . . . . . . 6597 1 971 . 1 1 76 76 PHE HE1 H 1 7.474 0.01 . 1 . . . . . . . . 6597 1 972 . 1 1 76 76 PHE HE2 H 1 7.474 0.01 . 1 . . . . . . . . 6597 1 973 . 1 1 76 76 PHE C C 13 171.912 0.25 . 1 . . . . . . . . 6597 1 974 . 1 1 76 76 PHE CA C 13 56.451 0.25 . 1 . . . . . . . . 6597 1 975 . 1 1 76 76 PHE CB C 13 41.327 0.25 . 1 . . . . . . . . 6597 1 976 . 1 1 76 76 PHE CD1 C 13 132.750 0.25 . 1 . . . . . . . . 6597 1 977 . 1 1 76 76 PHE CD2 C 13 132.750 0.25 . 1 . . . . . . . . 6597 1 978 . 1 1 76 76 PHE CE1 C 13 130.780 0.25 . 3 . . . . . . . . 6597 1 979 . 1 1 76 76 PHE CE2 C 13 131.007 0.25 . 3 . . . . . . . . 6597 1 980 . 1 1 76 76 PHE N N 15 120.652 0.15 . 1 . . . . . . . . 6597 1 981 . 1 1 77 77 ARG H H 1 8.851 0.01 . 1 . . . . . . . . 6597 1 982 . 1 1 77 77 ARG HA H 1 4.552 0.01 . 1 . . . . . . . . 6597 1 983 . 1 1 77 77 ARG HB2 H 1 1.429 0.01 . 2 . . . . . . . . 6597 1 984 . 1 1 77 77 ARG HB3 H 1 1.244 0.01 . 2 . . . . . . . . 6597 1 985 . 1 1 77 77 ARG HG2 H 1 -0.688 0.01 . 2 . . . . . . . . 6597 1 986 . 1 1 77 77 ARG HG3 H 1 -0.048 0.01 . 2 . . . . . . . . 6597 1 987 . 1 1 77 77 ARG HD2 H 1 2.196 0.01 . 2 . . . . . . . . 6597 1 988 . 1 1 77 77 ARG HD3 H 1 1.820 0.01 . 2 . . . . . . . . 6597 1 989 . 1 1 77 77 ARG C C 13 173.698 0.25 . 1 . . . . . . . . 6597 1 990 . 1 1 77 77 ARG CA C 13 54.824 0.25 . 1 . . . . . . . . 6597 1 991 . 1 1 77 77 ARG CB C 13 32.300 0.25 . 1 . . . . . . . . 6597 1 992 . 1 1 77 77 ARG CG C 13 24.090 0.25 . 1 . . . . . . . . 6597 1 993 . 1 1 77 77 ARG CD C 13 43.833 0.25 . 1 . . . . . . . . 6597 1 994 . 1 1 77 77 ARG N N 15 120.385 0.15 . 1 . . . . . . . . 6597 1 995 . 1 1 78 78 PHE H H 1 9.546 0.01 . 1 . . . . . . . . 6597 1 996 . 1 1 78 78 PHE HA H 1 5.460 0.01 . 1 . . . . . . . . 6597 1 997 . 1 1 78 78 PHE HB2 H 1 3.246 0.01 . 2 . . . . . . . . 6597 1 998 . 1 1 78 78 PHE HB3 H 1 2.705 0.01 . 2 . . . . . . . . 6597 1 999 . 1 1 78 78 PHE HD1 H 1 7.309 0.01 . 1 . . . . . . . . 6597 1 1000 . 1 1 78 78 PHE HD2 H 1 7.309 0.01 . 1 . . . . . . . . 6597 1 1001 . 1 1 78 78 PHE HE1 H 1 6.605 0.01 . 1 . . . . . . . . 6597 1 1002 . 1 1 78 78 PHE HE2 H 1 6.605 0.01 . 1 . . . . . . . . 6597 1 1003 . 1 1 78 78 PHE HZ H 1 6.763 0.01 . 1 . . . . . . . . 6597 1 1004 . 1 1 78 78 PHE C C 13 175.738 0.25 . 1 . . . . . . . . 6597 1 1005 . 1 1 78 78 PHE CA C 13 55.625 0.25 . 1 . . . . . . . . 6597 1 1006 . 1 1 78 78 PHE CB C 13 44.394 0.25 . 1 . . . . . . . . 6597 1 1007 . 1 1 78 78 PHE CD1 C 13 132.000 0.25 . 1 . . . . . . . . 6597 1 1008 . 1 1 78 78 PHE CD2 C 13 132.000 0.25 . 1 . . . . . . . . 6597 1 1009 . 1 1 78 78 PHE CE1 C 13 128.000 0.25 . 1 . . . . . . . . 6597 1 1010 . 1 1 78 78 PHE CE2 C 13 128.000 0.25 . 1 . . . . . . . . 6597 1 1011 . 1 1 78 78 PHE CZ C 13 128.005 0.25 . 1 . . . . . . . . 6597 1 1012 . 1 1 78 78 PHE N N 15 128.557 0.15 . 1 . . . . . . . . 6597 1 1013 . 1 1 79 79 ARG H H 1 9.269 0.01 . 1 . . . . . . . . 6597 1 1014 . 1 1 79 79 ARG HA H 1 4.068 0.01 . 1 . . . . . . . . 6597 1 1015 . 1 1 79 79 ARG HB2 H 1 1.780 0.01 . 2 . . . . . . . . 6597 1 1016 . 1 1 79 79 ARG HB3 H 1 1.348 0.01 . 2 . . . . . . . . 6597 1 1017 . 1 1 79 79 ARG HG2 H 1 1.278 0.01 . 2 . . . . . . . . 6597 1 1018 . 1 1 79 79 ARG HG3 H 1 0.660 0.01 . 2 . . . . . . . . 6597 1 1019 . 1 1 79 79 ARG HD2 H 1 2.526 0.01 . 2 . . . . . . . . 6597 1 1020 . 1 1 79 79 ARG HD3 H 1 2.120 0.01 . 2 . . . . . . . . 6597 1 1021 . 1 1 79 79 ARG C C 13 175.484 0.25 . 1 . . . . . . . . 6597 1 1022 . 1 1 79 79 ARG CA C 13 55.553 0.25 . 1 . . . . . . . . 6597 1 1023 . 1 1 79 79 ARG CB C 13 29.773 0.25 . 1 . . . . . . . . 6597 1 1024 . 1 1 79 79 ARG CG C 13 26.445 0.25 . 1 . . . . . . . . 6597 1 1025 . 1 1 79 79 ARG CD C 13 42.863 0.25 . 1 . . . . . . . . 6597 1 1026 . 1 1 79 79 ARG N N 15 130.302 0.15 . 1 . . . . . . . . 6597 1 1027 . 1 1 80 80 SER H H 1 9.208 0.01 . 1 . . . . . . . . 6597 1 1028 . 1 1 80 80 SER HA H 1 4.775 0.01 . 1 . . . . . . . . 6597 1 1029 . 1 1 80 80 SER HB2 H 1 4.280 0.01 . 2 . . . . . . . . 6597 1 1030 . 1 1 80 80 SER HB3 H 1 3.972 0.01 . 2 . . . . . . . . 6597 1 1031 . 1 1 80 80 SER HG H 1 5.769 0.01 . 1 . . . . . . . . 6597 1 1032 . 1 1 80 80 SER C C 13 174.978 0.25 . 1 . . . . . . . . 6597 1 1033 . 1 1 80 80 SER CA C 13 58.366 0.25 . 1 . . . . . . . . 6597 1 1034 . 1 1 80 80 SER CB C 13 64.915 0.25 . 1 . . . . . . . . 6597 1 1035 . 1 1 80 80 SER N N 15 127.943 0.15 . 1 . . . . . . . . 6597 1 1036 . 1 1 81 81 LYS H H 1 7.837 0.01 . 1 . . . . . . . . 6597 1 1037 . 1 1 81 81 LYS HA H 1 3.587 0.01 . 1 . . . . . . . . 6597 1 1038 . 1 1 81 81 LYS HB2 H 1 1.356 0.01 . 2 . . . . . . . . 6597 1 1039 . 1 1 81 81 LYS HB3 H 1 0.221 0.01 . 2 . . . . . . . . 6597 1 1040 . 1 1 81 81 LYS HG2 H 1 1.260 0.01 . 2 . . . . . . . . 6597 1 1041 . 1 1 81 81 LYS HG3 H 1 1.089 0.01 . 2 . . . . . . . . 6597 1 1042 . 1 1 81 81 LYS HD2 H 1 1.481 0.01 . 2 . . . . . . . . 6597 1 1043 . 1 1 81 81 LYS HD3 H 1 1.348 0.01 . 2 . . . . . . . . 6597 1 1044 . 1 1 81 81 LYS HE2 H 1 2.898 0.01 . 1 . . . . . . . . 6597 1 1045 . 1 1 81 81 LYS HE3 H 1 2.898 0.01 . 1 . . . . . . . . 6597 1 1046 . 1 1 81 81 LYS C C 13 177.345 0.25 . 1 . . . . . . . . 6597 1 1047 . 1 1 81 81 LYS CA C 13 59.099 0.25 . 1 . . . . . . . . 6597 1 1048 . 1 1 81 81 LYS CB C 13 31.754 0.25 . 1 . . . . . . . . 6597 1 1049 . 1 1 81 81 LYS CG C 13 25.089 0.25 . 1 . . . . . . . . 6597 1 1050 . 1 1 81 81 LYS CD C 13 29.461 0.25 . 1 . . . . . . . . 6597 1 1051 . 1 1 81 81 LYS CE C 13 42.395 0.25 . 1 . . . . . . . . 6597 1 1052 . 1 1 81 81 LYS N N 15 123.824 0.15 . 1 . . . . . . . . 6597 1 1053 . 1 1 82 82 ASN H H 1 7.940 0.01 . 1 . . . . . . . . 6597 1 1054 . 1 1 82 82 ASN HA H 1 4.655 0.01 . 1 . . . . . . . . 6597 1 1055 . 1 1 82 82 ASN HB2 H 1 2.759 0.01 . 1 . . . . . . . . 6597 1 1056 . 1 1 82 82 ASN HB3 H 1 2.759 0.01 . 1 . . . . . . . . 6597 1 1057 . 1 1 82 82 ASN HD21 H 1 7.470 0.01 . 2 . . . . . . . . 6597 1 1058 . 1 1 82 82 ASN HD22 H 1 6.829 0.01 . 2 . . . . . . . . 6597 1 1059 . 1 1 82 82 ASN C C 13 174.115 0.25 . 1 . . . . . . . . 6597 1 1060 . 1 1 82 82 ASN CA C 13 52.761 0.25 . 1 . . . . . . . . 6597 1 1061 . 1 1 82 82 ASN CB C 13 37.488 0.25 . 1 . . . . . . . . 6597 1 1062 . 1 1 82 82 ASN CG C 13 177.200 0.25 . 1 . . . . . . . . 6597 1 1063 . 1 1 82 82 ASN N N 15 115.147 0.15 . 1 . . . . . . . . 6597 1 1064 . 1 1 82 82 ASN ND2 N 15 111.424 0.15 . 1 . . . . . . . . 6597 1 1065 . 1 1 83 83 GLN H H 1 8.029 0.01 . 1 . . . . . . . . 6597 1 1066 . 1 1 83 83 GLN HA H 1 3.355 0.01 . 1 . . . . . . . . 6597 1 1067 . 1 1 83 83 GLN HB2 H 1 2.310 0.01 . 2 . . . . . . . . 6597 1 1068 . 1 1 83 83 GLN HB3 H 1 2.034 0.01 . 2 . . . . . . . . 6597 1 1069 . 1 1 83 83 GLN HG2 H 1 2.208 0.01 . 2 . . . . . . . . 6597 1 1070 . 1 1 83 83 GLN HG3 H 1 2.055 0.01 . 2 . . . . . . . . 6597 1 1071 . 1 1 83 83 GLN HE21 H 1 7.312 0.01 . 2 . . . . . . . . 6597 1 1072 . 1 1 83 83 GLN HE22 H 1 6.913 0.01 . 2 . . . . . . . . 6597 1 1073 . 1 1 83 83 GLN C C 13 174.400 0.25 . 1 . . . . . . . . 6597 1 1074 . 1 1 83 83 GLN CA C 13 56.660 0.25 . 1 . . . . . . . . 6597 1 1075 . 1 1 83 83 GLN CB C 13 25.188 0.25 . 1 . . . . . . . . 6597 1 1076 . 1 1 83 83 GLN CG C 13 33.932 0.25 . 1 . . . . . . . . 6597 1 1077 . 1 1 83 83 GLN CD C 13 180.697 0.25 . 1 . . . . . . . . 6597 1 1078 . 1 1 83 83 GLN N N 15 112.351 0.15 . 1 . . . . . . . . 6597 1 1079 . 1 1 83 83 GLN NE2 N 15 113.400 0.15 . 1 . . . . . . . . 6597 1 1080 . 1 1 84 84 GLU H H 1 7.439 0.01 . 1 . . . . . . . . 6597 1 1081 . 1 1 84 84 GLU HA H 1 4.273 0.01 . 1 . . . . . . . . 6597 1 1082 . 1 1 84 84 GLU HB2 H 1 1.935 0.01 . 2 . . . . . . . . 6597 1 1083 . 1 1 84 84 GLU HB3 H 1 1.804 0.01 . 2 . . . . . . . . 6597 1 1084 . 1 1 84 84 GLU HG2 H 1 2.074 0.01 . 1 . . . . . . . . 6597 1 1085 . 1 1 84 84 GLU HG3 H 1 2.074 0.01 . 1 . . . . . . . . 6597 1 1086 . 1 1 84 84 GLU C C 13 175.686 0.25 . 1 . . . . . . . . 6597 1 1087 . 1 1 84 84 GLU CA C 13 54.927 0.25 . 1 . . . . . . . . 6597 1 1088 . 1 1 84 84 GLU CB C 13 31.523 0.25 . 1 . . . . . . . . 6597 1 1089 . 1 1 84 84 GLU CG C 13 36.268 0.25 . 1 . . . . . . . . 6597 1 1090 . 1 1 84 84 GLU N N 15 117.986 0.15 . 1 . . . . . . . . 6597 1 1091 . 1 1 85 85 TRP H H 1 8.628 0.01 . 1 . . . . . . . . 6597 1 1092 . 1 1 85 85 TRP HA H 1 5.154 0.01 . 1 . . . . . . . . 6597 1 1093 . 1 1 85 85 TRP HB2 H 1 3.172 0.01 . 2 . . . . . . . . 6597 1 1094 . 1 1 85 85 TRP HB3 H 1 2.710 0.01 . 2 . . . . . . . . 6597 1 1095 . 1 1 85 85 TRP HD1 H 1 7.443 0.01 . 1 . . . . . . . . 6597 1 1096 . 1 1 85 85 TRP HE1 H 1 10.313 0.01 . 3 . . . . . . . . 6597 1 1097 . 1 1 85 85 TRP HE3 H 1 7.246 0.01 . 3 . . . . . . . . 6597 1 1098 . 1 1 85 85 TRP HZ2 H 1 7.338 0.01 . 3 . . . . . . . . 6597 1 1099 . 1 1 85 85 TRP HZ3 H 1 7.231 0.01 . 3 . . . . . . . . 6597 1 1100 . 1 1 85 85 TRP HH2 H 1 7.002 0.01 . 1 . . . . . . . . 6597 1 1101 . 1 1 85 85 TRP C C 13 175.891 0.25 . 1 . . . . . . . . 6597 1 1102 . 1 1 85 85 TRP CA C 13 55.763 0.25 . 1 . . . . . . . . 6597 1 1103 . 1 1 85 85 TRP CB C 13 30.050 0.25 . 1 . . . . . . . . 6597 1 1104 . 1 1 85 85 TRP CD1 C 13 128.000 0.25 . 3 . . . . . . . . 6597 1 1105 . 1 1 85 85 TRP CE3 C 13 123.156 0.25 . 3 . . . . . . . . 6597 1 1106 . 1 1 85 85 TRP CZ2 C 13 114.800 0.25 . 3 . . . . . . . . 6597 1 1107 . 1 1 85 85 TRP CH2 C 13 123.800 0.25 . 1 . . . . . . . . 6597 1 1108 . 1 1 85 85 TRP N N 15 121.657 0.15 . 1 . . . . . . . . 6597 1 1109 . 1 1 85 85 TRP NE1 N 15 129.749 0.15 . 1 . . . . . . . . 6597 1 1110 . 1 1 86 86 LEU H H 1 9.574 0.01 . 1 . . . . . . . . 6597 1 1111 . 1 1 86 86 LEU HA H 1 4.768 0.01 . 1 . . . . . . . . 6597 1 1112 . 1 1 86 86 LEU HB2 H 1 1.915 0.01 . 2 . . . . . . . . 6597 1 1113 . 1 1 86 86 LEU HB3 H 1 1.537 0.01 . 2 . . . . . . . . 6597 1 1114 . 1 1 86 86 LEU HG H 1 1.842 0.01 . 1 . . . . . . . . 6597 1 1115 . 1 1 86 86 LEU HD11 H 1 0.971 0.01 . 2 . . . . . . . . 6597 1 1116 . 1 1 86 86 LEU HD12 H 1 0.971 0.01 . 2 . . . . . . . . 6597 1 1117 . 1 1 86 86 LEU HD13 H 1 0.971 0.01 . 2 . . . . . . . . 6597 1 1118 . 1 1 86 86 LEU HD21 H 1 0.932 0.01 . 2 . . . . . . . . 6597 1 1119 . 1 1 86 86 LEU HD22 H 1 0.932 0.01 . 2 . . . . . . . . 6597 1 1120 . 1 1 86 86 LEU HD23 H 1 0.932 0.01 . 2 . . . . . . . . 6597 1 1121 . 1 1 86 86 LEU C C 13 177.031 0.25 . 1 . . . . . . . . 6597 1 1122 . 1 1 86 86 LEU CA C 13 53.247 0.25 . 1 . . . . . . . . 6597 1 1123 . 1 1 86 86 LEU CB C 13 43.923 0.25 . 1 . . . . . . . . 6597 1 1124 . 1 1 86 86 LEU CG C 13 26.810 0.25 . 1 . . . . . . . . 6597 1 1125 . 1 1 86 86 LEU CD1 C 13 26.810 0.25 . 1 . . . . . . . . 6597 1 1126 . 1 1 86 86 LEU CD2 C 13 23.474 0.25 . 1 . . . . . . . . 6597 1 1127 . 1 1 86 86 LEU N N 15 126.992 0.15 . 1 . . . . . . . . 6597 1 1128 . 1 1 87 87 TRP H H 1 8.897 0.01 . 1 . . . . . . . . 6597 1 1129 . 1 1 87 87 TRP HA H 1 4.500 0.01 . 1 . . . . . . . . 6597 1 1130 . 1 1 87 87 TRP HB2 H 1 3.215 0.01 . 2 . . . . . . . . 6597 1 1131 . 1 1 87 87 TRP HB3 H 1 2.883 0.01 . 2 . . . . . . . . 6597 1 1132 . 1 1 87 87 TRP HD1 H 1 7.334 0.01 . 1 . . . . . . . . 6597 1 1133 . 1 1 87 87 TRP HE1 H 1 10.113 0.01 . 3 . . . . . . . . 6597 1 1134 . 1 1 87 87 TRP HE3 H 1 7.243 0.01 . 3 . . . . . . . . 6597 1 1135 . 1 1 87 87 TRP HZ2 H 1 7.305 0.01 . 3 . . . . . . . . 6597 1 1136 . 1 1 87 87 TRP HZ3 H 1 6.890 0.01 . 3 . . . . . . . . 6597 1 1137 . 1 1 87 87 TRP HH2 H 1 7.187 0.01 . 1 . . . . . . . . 6597 1 1138 . 1 1 87 87 TRP C C 13 175.111 0.25 . 1 . . . . . . . . 6597 1 1139 . 1 1 87 87 TRP CA C 13 59.137 0.25 . 1 . . . . . . . . 6597 1 1140 . 1 1 87 87 TRP CB C 13 29.362 0.25 . 1 . . . . . . . . 6597 1 1141 . 1 1 87 87 TRP CD1 C 13 126.468 0.25 . 3 . . . . . . . . 6597 1 1142 . 1 1 87 87 TRP CE3 C 13 119.770 0.25 . 3 . . . . . . . . 6597 1 1143 . 1 1 87 87 TRP CZ2 C 13 114.296 0.25 . 3 . . . . . . . . 6597 1 1144 . 1 1 87 87 TRP CZ3 C 13 121.400 0.25 . 3 . . . . . . . . 6597 1 1145 . 1 1 87 87 TRP CH2 C 13 124.700 0.25 . 1 . . . . . . . . 6597 1 1146 . 1 1 87 87 TRP N N 15 123.736 0.15 . 1 . . . . . . . . 6597 1 1147 . 1 1 87 87 TRP NE1 N 15 128.205 0.15 . 1 . . . . . . . . 6597 1 1148 . 1 1 88 88 MET H H 1 9.504 0.01 . 1 . . . . . . . . 6597 1 1149 . 1 1 88 88 MET HA H 1 5.276 0.01 . 1 . . . . . . . . 6597 1 1150 . 1 1 88 88 MET HB2 H 1 1.418 0.01 . 2 . . . . . . . . 6597 1 1151 . 1 1 88 88 MET HB3 H 1 1.237 0.01 . 2 . . . . . . . . 6597 1 1152 . 1 1 88 88 MET HG2 H 1 2.278 0.01 . 2 . . . . . . . . 6597 1 1153 . 1 1 88 88 MET HG3 H 1 2.064 0.01 . 2 . . . . . . . . 6597 1 1154 . 1 1 88 88 MET HE1 H 1 1.404 0.01 . 1 . . . . . . . . 6597 1 1155 . 1 1 88 88 MET HE2 H 1 1.404 0.01 . 1 . . . . . . . . 6597 1 1156 . 1 1 88 88 MET HE3 H 1 1.404 0.01 . 1 . . . . . . . . 6597 1 1157 . 1 1 88 88 MET C C 13 174.277 0.25 . 1 . . . . . . . . 6597 1 1158 . 1 1 88 88 MET CA C 13 52.613 0.25 . 1 . . . . . . . . 6597 1 1159 . 1 1 88 88 MET CB C 13 34.034 0.25 . 1 . . . . . . . . 6597 1 1160 . 1 1 88 88 MET CG C 13 32.598 0.25 . 1 . . . . . . . . 6597 1 1161 . 1 1 88 88 MET CE C 13 16.880 0.25 . 1 . . . . . . . . 6597 1 1162 . 1 1 88 88 MET N N 15 127.011 0.15 . 1 . . . . . . . . 6597 1 1163 . 1 1 89 89 ARG H H 1 9.179 0.01 . 1 . . . . . . . . 6597 1 1164 . 1 1 89 89 ARG HA H 1 5.286 0.01 . 1 . . . . . . . . 6597 1 1165 . 1 1 89 89 ARG HB2 H 1 1.846 0.01 . 2 . . . . . . . . 6597 1 1166 . 1 1 89 89 ARG HB3 H 1 1.520 0.01 . 2 . . . . . . . . 6597 1 1167 . 1 1 89 89 ARG HG2 H 1 1.526 0.01 . 2 . . . . . . . . 6597 1 1168 . 1 1 89 89 ARG HG3 H 1 1.356 0.01 . 2 . . . . . . . . 6597 1 1169 . 1 1 89 89 ARG HD2 H 1 3.172 0.01 . 1 . . . . . . . . 6597 1 1170 . 1 1 89 89 ARG HD3 H 1 3.172 0.01 . 1 . . . . . . . . 6597 1 1171 . 1 1 89 89 ARG HE H 1 7.162 0.01 . 1 . . . . . . . . 6597 1 1172 . 1 1 89 89 ARG C C 13 175.973 0.25 . 1 . . . . . . . . 6597 1 1173 . 1 1 89 89 ARG CA C 13 54.790 0.25 . 1 . . . . . . . . 6597 1 1174 . 1 1 89 89 ARG CB C 13 32.440 0.25 . 1 . . . . . . . . 6597 1 1175 . 1 1 89 89 ARG CG C 13 27.825 0.25 . 1 . . . . . . . . 6597 1 1176 . 1 1 89 89 ARG CD C 13 43.600 0.25 . 1 . . . . . . . . 6597 1 1177 . 1 1 89 89 ARG N N 15 123.535 0.15 . 1 . . . . . . . . 6597 1 1178 . 1 1 90 90 THR H H 1 9.473 0.01 . 1 . . . . . . . . 6597 1 1179 . 1 1 90 90 THR HA H 1 5.536 0.01 . 1 . . . . . . . . 6597 1 1180 . 1 1 90 90 THR HB H 1 3.861 0.01 . 1 . . . . . . . . 6597 1 1181 . 1 1 90 90 THR HG21 H 1 1.179 0.01 . 1 . . . . . . . . 6597 1 1182 . 1 1 90 90 THR HG22 H 1 1.179 0.01 . 1 . . . . . . . . 6597 1 1183 . 1 1 90 90 THR HG23 H 1 1.179 0.01 . 1 . . . . . . . . 6597 1 1184 . 1 1 90 90 THR C C 13 174.947 0.25 . 1 . . . . . . . . 6597 1 1185 . 1 1 90 90 THR CA C 13 63.148 0.25 . 1 . . . . . . . . 6597 1 1186 . 1 1 90 90 THR CB C 13 71.547 0.25 . 1 . . . . . . . . 6597 1 1187 . 1 1 90 90 THR CG2 C 13 22.043 0.25 . 1 . . . . . . . . 6597 1 1188 . 1 1 90 90 THR N N 15 129.740 0.15 . 1 . . . . . . . . 6597 1 1189 . 1 1 91 91 SER H H 1 8.772 0.01 . 1 . . . . . . . . 6597 1 1190 . 1 1 91 91 SER HA H 1 5.437 0.01 . 1 . . . . . . . . 6597 1 1191 . 1 1 91 91 SER HB2 H 1 3.820 0.01 . 2 . . . . . . . . 6597 1 1192 . 1 1 91 91 SER HB3 H 1 3.711 0.01 . 2 . . . . . . . . 6597 1 1193 . 1 1 91 91 SER C C 13 174.044 0.25 . 1 . . . . . . . . 6597 1 1194 . 1 1 91 91 SER CA C 13 56.800 0.25 . 1 . . . . . . . . 6597 1 1195 . 1 1 91 91 SER CB C 13 64.447 0.25 . 1 . . . . . . . . 6597 1 1196 . 1 1 91 91 SER N N 15 123.899 0.15 . 1 . . . . . . . . 6597 1 1197 . 1 1 92 92 SER H H 1 9.334 0.01 . 1 . . . . . . . . 6597 1 1198 . 1 1 92 92 SER HA H 1 5.889 0.01 . 1 . . . . . . . . 6597 1 1199 . 1 1 92 92 SER HB2 H 1 3.427 0.01 . 2 . . . . . . . . 6597 1 1200 . 1 1 92 92 SER HB3 H 1 3.334 0.01 . 2 . . . . . . . . 6597 1 1201 . 1 1 92 92 SER C C 13 172.417 0.25 . 1 . . . . . . . . 6597 1 1202 . 1 1 92 92 SER CA C 13 56.931 0.25 . 1 . . . . . . . . 6597 1 1203 . 1 1 92 92 SER CB C 13 66.953 0.25 . 1 . . . . . . . . 6597 1 1204 . 1 1 92 92 SER N N 15 122.680 0.15 . 1 . . . . . . . . 6597 1 1205 . 1 1 93 93 PHE H H 1 8.367 0.01 . 1 . . . . . . . . 6597 1 1206 . 1 1 93 93 PHE HA H 1 4.926 0.01 . 1 . . . . . . . . 6597 1 1207 . 1 1 93 93 PHE HB2 H 1 3.118 0.01 . 2 . . . . . . . . 6597 1 1208 . 1 1 93 93 PHE HB3 H 1 2.765 0.01 . 2 . . . . . . . . 6597 1 1209 . 1 1 93 93 PHE HD1 H 1 6.949 0.01 . 1 . . . . . . . . 6597 1 1210 . 1 1 93 93 PHE HD2 H 1 6.949 0.01 . 1 . . . . . . . . 6597 1 1211 . 1 1 93 93 PHE HE1 H 1 7.109 0.01 . 1 . . . . . . . . 6597 1 1212 . 1 1 93 93 PHE HE2 H 1 7.109 0.01 . 1 . . . . . . . . 6597 1 1213 . 1 1 93 93 PHE HZ H 1 7.094 0.01 . 1 . . . . . . . . 6597 1 1214 . 1 1 93 93 PHE CA C 13 56.591 0.25 . 1 . . . . . . . . 6597 1 1215 . 1 1 93 93 PHE CB C 13 41.868 0.25 . 1 . . . . . . . . 6597 1 1216 . 1 1 93 93 PHE CD1 C 13 132.678 0.25 . 1 . . . . . . . . 6597 1 1217 . 1 1 93 93 PHE CD2 C 13 132.678 0.25 . 1 . . . . . . . . 6597 1 1218 . 1 1 93 93 PHE CE1 C 13 130.775 0.25 . 1 . . . . . . . . 6597 1 1219 . 1 1 93 93 PHE CE2 C 13 130.775 0.25 . 1 . . . . . . . . 6597 1 1220 . 1 1 93 93 PHE N N 15 116.464 0.15 . 1 . . . . . . . . 6597 1 1221 . 1 1 94 94 THR H H 1 8.558 0.01 . 1 . . . . . . . . 6597 1 1222 . 1 1 94 94 THR HA H 1 4.452 0.01 . 1 . . . . . . . . 6597 1 1223 . 1 1 94 94 THR HB H 1 4.036 0.01 . 1 . . . . . . . . 6597 1 1224 . 1 1 94 94 THR HG21 H 1 1.105 0.01 . 1 . . . . . . . . 6597 1 1225 . 1 1 94 94 THR HG22 H 1 1.105 0.01 . 1 . . . . . . . . 6597 1 1226 . 1 1 94 94 THR HG23 H 1 1.105 0.01 . 1 . . . . . . . . 6597 1 1227 . 1 1 94 94 THR C C 13 175.519 0.25 . 1 . . . . . . . . 6597 1 1228 . 1 1 94 94 THR CA C 13 61.218 0.25 . 1 . . . . . . . . 6597 1 1229 . 1 1 94 94 THR CB C 13 70.000 0.25 . 1 . . . . . . . . 6597 1 1230 . 1 1 94 94 THR CG2 C 13 24.340 0.25 . 1 . . . . . . . . 6597 1 1231 . 1 1 94 94 THR N N 15 112.539 0.15 . 1 . . . . . . . . 6597 1 1232 . 1 1 95 95 PHE H H 1 8.340 0.01 . 1 . . . . . . . . 6597 1 1233 . 1 1 95 95 PHE HA H 1 4.494 0.01 . 1 . . . . . . . . 6597 1 1234 . 1 1 95 95 PHE HB2 H 1 2.415 0.01 . 2 . . . . . . . . 6597 1 1235 . 1 1 95 95 PHE HB3 H 1 2.300 0.01 . 2 . . . . . . . . 6597 1 1236 . 1 1 95 95 PHE HD1 H 1 6.811 0.01 . 1 . . . . . . . . 6597 1 1237 . 1 1 95 95 PHE HD2 H 1 6.811 0.01 . 1 . . . . . . . . 6597 1 1238 . 1 1 95 95 PHE HE1 H 1 7.060 0.01 . 1 . . . . . . . . 6597 1 1239 . 1 1 95 95 PHE HE2 H 1 7.060 0.01 . 1 . . . . . . . . 6597 1 1240 . 1 1 95 95 PHE C C 13 174.143 0.25 . 1 . . . . . . . . 6597 1 1241 . 1 1 95 95 PHE CA C 13 57.421 0.25 . 1 . . . . . . . . 6597 1 1242 . 1 1 95 95 PHE CB C 13 41.725 0.25 . 1 . . . . . . . . 6597 1 1243 . 1 1 95 95 PHE CD1 C 13 131.090 0.25 . 1 . . . . . . . . 6597 1 1244 . 1 1 95 95 PHE CD2 C 13 131.090 0.25 . 1 . . . . . . . . 6597 1 1245 . 1 1 95 95 PHE N N 15 122.350 0.15 . 1 . . . . . . . . 6597 1 1246 . 1 1 96 96 GLN H H 1 7.827 0.01 . 1 . . . . . . . . 6597 1 1247 . 1 1 96 96 GLN HA H 1 4.469 0.01 . 1 . . . . . . . . 6597 1 1248 . 1 1 96 96 GLN HB2 H 1 1.691 0.01 . 2 . . . . . . . . 6597 1 1249 . 1 1 96 96 GLN HB3 H 1 1.644 0.01 . 2 . . . . . . . . 6597 1 1250 . 1 1 96 96 GLN HG2 H 1 1.898 0.01 . 2 . . . . . . . . 6597 1 1251 . 1 1 96 96 GLN HG3 H 1 2.116 0.01 . 2 . . . . . . . . 6597 1 1252 . 1 1 96 96 GLN HE21 H 1 6.438 0.01 . 2 . . . . . . . . 6597 1 1253 . 1 1 96 96 GLN HE22 H 1 7.375 0.01 . 2 . . . . . . . . 6597 1 1254 . 1 1 96 96 GLN C C 13 174.078 0.25 . 1 . . . . . . . . 6597 1 1255 . 1 1 96 96 GLN CA C 13 54.150 0.25 . 1 . . . . . . . . 6597 1 1256 . 1 1 96 96 GLN CB C 13 31.450 0.25 . 1 . . . . . . . . 6597 1 1257 . 1 1 96 96 GLN CG C 13 34.800 0.25 . 1 . . . . . . . . 6597 1 1258 . 1 1 96 96 GLN N N 15 125.750 0.15 . 1 . . . . . . . . 6597 1 1259 . 1 1 96 96 GLN NE2 N 15 110.056 0.15 . 1 . . . . . . . . 6597 1 1260 . 1 1 97 97 ASN H H 1 8.869 0.01 . 1 . . . . . . . . 6597 1 1261 . 1 1 97 97 ASN HA H 1 4.592 0.01 . 1 . . . . . . . . 6597 1 1262 . 1 1 97 97 ASN HB2 H 1 2.955 0.01 . 2 . . . . . . . . 6597 1 1263 . 1 1 97 97 ASN HB3 H 1 2.816 0.01 . 2 . . . . . . . . 6597 1 1264 . 1 1 97 97 ASN HD21 H 1 8.206 0.01 . 2 . . . . . . . . 6597 1 1265 . 1 1 97 97 ASN HD22 H 1 7.226 0.01 . 2 . . . . . . . . 6597 1 1266 . 1 1 97 97 ASN CA C 13 52.076 0.25 . 1 . . . . . . . . 6597 1 1267 . 1 1 97 97 ASN CB C 13 39.760 0.25 . 1 . . . . . . . . 6597 1 1268 . 1 1 97 97 ASN N N 15 123.751 0.15 . 1 . . . . . . . . 6597 1 1269 . 1 1 97 97 ASN ND2 N 15 115.742 0.15 . 1 . . . . . . . . 6597 1 1270 . 1 1 98 98 PRO HA H 1 4.192 0.01 . 1 . . . . . . . . 6597 1 1271 . 1 1 98 98 PRO HB2 H 1 2.084 0.01 . 2 . . . . . . . . 6597 1 1272 . 1 1 98 98 PRO HB3 H 1 1.388 0.01 . 2 . . . . . . . . 6597 1 1273 . 1 1 98 98 PRO HG2 H 1 1.890 0.01 . 2 . . . . . . . . 6597 1 1274 . 1 1 98 98 PRO HG3 H 1 1.632 0.01 . 2 . . . . . . . . 6597 1 1275 . 1 1 98 98 PRO HD2 H 1 3.808 0.01 . 2 . . . . . . . . 6597 1 1276 . 1 1 98 98 PRO HD3 H 1 3.648 0.01 . 2 . . . . . . . . 6597 1 1277 . 1 1 98 98 PRO C C 13 176.520 0.25 . 1 . . . . . . . . 6597 1 1278 . 1 1 98 98 PRO CA C 13 64.196 0.25 . 1 . . . . . . . . 6597 1 1279 . 1 1 98 98 PRO CB C 13 31.862 0.25 . 1 . . . . . . . . 6597 1 1280 . 1 1 98 98 PRO CG C 13 27.100 0.25 . 1 . . . . . . . . 6597 1 1281 . 1 1 98 98 PRO CD C 13 50.896 0.25 . 1 . . . . . . . . 6597 1 1282 . 1 1 99 99 TYR H H 1 8.170 0.01 . 1 . . . . . . . . 6597 1 1283 . 1 1 99 99 TYR HA H 1 4.611 0.01 . 1 . . . . . . . . 6597 1 1284 . 1 1 99 99 TYR HB2 H 1 3.226 0.01 . 2 . . . . . . . . 6597 1 1285 . 1 1 99 99 TYR HB3 H 1 2.984 0.01 . 2 . . . . . . . . 6597 1 1286 . 1 1 99 99 TYR HD1 H 1 7.190 0.01 . 1 . . . . . . . . 6597 1 1287 . 1 1 99 99 TYR HD2 H 1 7.190 0.01 . 1 . . . . . . . . 6597 1 1288 . 1 1 99 99 TYR HE1 H 1 6.872 0.01 . 1 . . . . . . . . 6597 1 1289 . 1 1 99 99 TYR HE2 H 1 6.872 0.01 . 1 . . . . . . . . 6597 1 1290 . 1 1 99 99 TYR C C 13 176.260 0.25 . 1 . . . . . . . . 6597 1 1291 . 1 1 99 99 TYR CA C 13 58.115 0.25 . 1 . . . . . . . . 6597 1 1292 . 1 1 99 99 TYR CB C 13 38.274 0.25 . 1 . . . . . . . . 6597 1 1293 . 1 1 99 99 TYR CD1 C 13 132.670 0.25 . 1 . . . . . . . . 6597 1 1294 . 1 1 99 99 TYR CD2 C 13 132.670 0.25 . 1 . . . . . . . . 6597 1 1295 . 1 1 99 99 TYR CE1 C 13 118.328 0.25 . 1 . . . . . . . . 6597 1 1296 . 1 1 99 99 TYR CE2 C 13 118.328 0.25 . 1 . . . . . . . . 6597 1 1297 . 1 1 99 99 TYR N N 15 116.425 0.15 . 1 . . . . . . . . 6597 1 1298 . 1 1 100 100 SER H H 1 8.018 0.01 . 1 . . . . . . . . 6597 1 1299 . 1 1 100 100 SER HA H 1 4.591 0.01 . 1 . . . . . . . . 6597 1 1300 . 1 1 100 100 SER HB2 H 1 4.004 0.01 . 2 . . . . . . . . 6597 1 1301 . 1 1 100 100 SER HB3 H 1 3.769 0.01 . 2 . . . . . . . . 6597 1 1302 . 1 1 100 100 SER C C 13 174.633 0.25 . 1 . . . . . . . . 6597 1 1303 . 1 1 100 100 SER CA C 13 57.598 0.25 . 1 . . . . . . . . 6597 1 1304 . 1 1 100 100 SER CB C 13 65.512 0.25 . 1 . . . . . . . . 6597 1 1305 . 1 1 100 100 SER N N 15 113.929 0.15 . 1 . . . . . . . . 6597 1 1306 . 1 1 101 101 ASP H H 1 8.324 0.01 . 1 . . . . . . . . 6597 1 1307 . 1 1 101 101 ASP HA H 1 4.512 0.01 . 1 . . . . . . . . 6597 1 1308 . 1 1 101 101 ASP HB2 H 1 2.849 0.01 . 2 . . . . . . . . 6597 1 1309 . 1 1 101 101 ASP HB3 H 1 2.648 0.01 . 2 . . . . . . . . 6597 1 1310 . 1 1 101 101 ASP C C 13 175.494 0.25 . 1 . . . . . . . . 6597 1 1311 . 1 1 101 101 ASP CA C 13 55.582 0.25 . 1 . . . . . . . . 6597 1 1312 . 1 1 101 101 ASP CB C 13 41.134 0.25 . 1 . . . . . . . . 6597 1 1313 . 1 1 101 101 ASP N N 15 120.369 0.15 . 1 . . . . . . . . 6597 1 1314 . 1 1 102 102 GLU H H 1 7.861 0.01 . 1 . . . . . . . . 6597 1 1315 . 1 1 102 102 GLU HA H 1 4.289 0.01 . 1 . . . . . . . . 6597 1 1316 . 1 1 102 102 GLU HB2 H 1 1.976 0.01 . 2 . . . . . . . . 6597 1 1317 . 1 1 102 102 GLU HB3 H 1 1.820 0.01 . 2 . . . . . . . . 6597 1 1318 . 1 1 102 102 GLU HG2 H 1 2.272 0.01 . 2 . . . . . . . . 6597 1 1319 . 1 1 102 102 GLU HG3 H 1 2.195 0.01 . 2 . . . . . . . . 6597 1 1320 . 1 1 102 102 GLU C C 13 176.411 0.25 . 1 . . . . . . . . 6597 1 1321 . 1 1 102 102 GLU CA C 13 56.027 0.25 . 1 . . . . . . . . 6597 1 1322 . 1 1 102 102 GLU CB C 13 31.094 0.25 . 1 . . . . . . . . 6597 1 1323 . 1 1 102 102 GLU CG C 13 36.226 0.25 . 1 . . . . . . . . 6597 1 1324 . 1 1 102 102 GLU N N 15 119.058 0.15 . 1 . . . . . . . . 6597 1 1325 . 1 1 103 103 ILE H H 1 8.688 0.01 . 1 . . . . . . . . 6597 1 1326 . 1 1 103 103 ILE HA H 1 3.903 0.01 . 1 . . . . . . . . 6597 1 1327 . 1 1 103 103 ILE HB H 1 1.815 0.01 . 1 . . . . . . . . 6597 1 1328 . 1 1 103 103 ILE HG12 H 1 1.640 0.01 . 1 . . . . . . . . 6597 1 1329 . 1 1 103 103 ILE HG13 H 1 1.150 0.01 . 1 . . . . . . . . 6597 1 1330 . 1 1 103 103 ILE HG21 H 1 0.767 0.01 . 1 . . . . . . . . 6597 1 1331 . 1 1 103 103 ILE HG22 H 1 0.767 0.01 . 1 . . . . . . . . 6597 1 1332 . 1 1 103 103 ILE HG23 H 1 0.767 0.01 . 1 . . . . . . . . 6597 1 1333 . 1 1 103 103 ILE HD11 H 1 0.952 0.01 . 1 . . . . . . . . 6597 1 1334 . 1 1 103 103 ILE HD12 H 1 0.952 0.01 . 1 . . . . . . . . 6597 1 1335 . 1 1 103 103 ILE HD13 H 1 0.952 0.01 . 1 . . . . . . . . 6597 1 1336 . 1 1 103 103 ILE C C 13 176.187 0.25 . 1 . . . . . . . . 6597 1 1337 . 1 1 103 103 ILE CA C 13 62.200 0.25 . 1 . . . . . . . . 6597 1 1338 . 1 1 103 103 ILE CB C 13 38.392 0.25 . 1 . . . . . . . . 6597 1 1339 . 1 1 103 103 ILE CG1 C 13 28.220 0.25 . 2 . . . . . . . . 6597 1 1340 . 1 1 103 103 ILE CG2 C 13 17.639 0.25 . 1 . . . . . . . . 6597 1 1341 . 1 1 103 103 ILE CD1 C 13 14.292 0.25 . 1 . . . . . . . . 6597 1 1342 . 1 1 103 103 ILE N N 15 122.834 0.15 . 1 . . . . . . . . 6597 1 1343 . 1 1 104 104 GLU H H 1 8.900 0.01 . 1 . . . . . . . . 6597 1 1344 . 1 1 104 104 GLU HA H 1 4.427 0.01 . 1 . . . . . . . . 6597 1 1345 . 1 1 104 104 GLU HB2 H 1 1.995 0.01 . 2 . . . . . . . . 6597 1 1346 . 1 1 104 104 GLU HB3 H 1 1.670 0.01 . 2 . . . . . . . . 6597 1 1347 . 1 1 104 104 GLU HG2 H 1 2.264 0.01 . 2 . . . . . . . . 6597 1 1348 . 1 1 104 104 GLU HG3 H 1 2.198 0.01 . 2 . . . . . . . . 6597 1 1349 . 1 1 104 104 GLU C C 13 176.487 0.25 . 1 . . . . . . . . 6597 1 1350 . 1 1 104 104 GLU CA C 13 57.998 0.25 . 1 . . . . . . . . 6597 1 1351 . 1 1 104 104 GLU CB C 13 31.935 0.25 . 1 . . . . . . . . 6597 1 1352 . 1 1 104 104 GLU CG C 13 36.546 0.25 . 1 . . . . . . . . 6597 1 1353 . 1 1 104 104 GLU N N 15 127.851 0.15 . 1 . . . . . . . . 6597 1 1354 . 1 1 105 105 TYR H H 1 7.419 0.01 . 1 . . . . . . . . 6597 1 1355 . 1 1 105 105 TYR HA H 1 4.755 0.01 . 1 . . . . . . . . 6597 1 1356 . 1 1 105 105 TYR HB2 H 1 3.471 0.01 . 2 . . . . . . . . 6597 1 1357 . 1 1 105 105 TYR HB3 H 1 3.032 0.01 . 2 . . . . . . . . 6597 1 1358 . 1 1 105 105 TYR HD1 H 1 6.807 0.01 . 1 . . . . . . . . 6597 1 1359 . 1 1 105 105 TYR HD2 H 1 6.807 0.01 . 1 . . . . . . . . 6597 1 1360 . 1 1 105 105 TYR HE1 H 1 6.448 0.01 . 1 . . . . . . . . 6597 1 1361 . 1 1 105 105 TYR HE2 H 1 6.448 0.01 . 1 . . . . . . . . 6597 1 1362 . 1 1 105 105 TYR C C 13 172.957 0.25 . 1 . . . . . . . . 6597 1 1363 . 1 1 105 105 TYR CA C 13 55.838 0.25 . 1 . . . . . . . . 6597 1 1364 . 1 1 105 105 TYR CB C 13 39.313 0.25 . 1 . . . . . . . . 6597 1 1365 . 1 1 105 105 TYR CD1 C 13 132.805 0.25 . 1 . . . . . . . . 6597 1 1366 . 1 1 105 105 TYR CD2 C 13 132.805 0.25 . 1 . . . . . . . . 6597 1 1367 . 1 1 105 105 TYR CE1 C 13 118.124 0.25 . 1 . . . . . . . . 6597 1 1368 . 1 1 105 105 TYR CE2 C 13 118.124 0.25 . 1 . . . . . . . . 6597 1 1369 . 1 1 105 105 TYR N N 15 111.848 0.15 . 1 . . . . . . . . 6597 1 1370 . 1 1 106 106 ILE H H 1 9.167 0.01 . 1 . . . . . . . . 6597 1 1371 . 1 1 106 106 ILE HA H 1 4.414 0.01 . 1 . . . . . . . . 6597 1 1372 . 1 1 106 106 ILE HB H 1 1.470 0.01 . 1 . . . . . . . . 6597 1 1373 . 1 1 106 106 ILE HG12 H 1 1.338 0.01 . 1 . . . . . . . . 6597 1 1374 . 1 1 106 106 ILE HG13 H 1 0.725 0.01 . 1 . . . . . . . . 6597 1 1375 . 1 1 106 106 ILE HG21 H 1 0.572 0.01 . 1 . . . . . . . . 6597 1 1376 . 1 1 106 106 ILE HG22 H 1 0.572 0.01 . 1 . . . . . . . . 6597 1 1377 . 1 1 106 106 ILE HG23 H 1 0.572 0.01 . 1 . . . . . . . . 6597 1 1378 . 1 1 106 106 ILE HD11 H 1 0.681 0.01 . 1 . . . . . . . . 6597 1 1379 . 1 1 106 106 ILE HD12 H 1 0.681 0.01 . 1 . . . . . . . . 6597 1 1380 . 1 1 106 106 ILE HD13 H 1 0.681 0.01 . 1 . . . . . . . . 6597 1 1381 . 1 1 106 106 ILE C C 13 175.115 0.25 . 1 . . . . . . . . 6597 1 1382 . 1 1 106 106 ILE CA C 13 60.789 0.25 . 1 . . . . . . . . 6597 1 1383 . 1 1 106 106 ILE CB C 13 41.627 0.25 . 1 . . . . . . . . 6597 1 1384 . 1 1 106 106 ILE CG1 C 13 28.887 0.25 . 2 . . . . . . . . 6597 1 1385 . 1 1 106 106 ILE CG2 C 13 18.300 0.25 . 1 . . . . . . . . 6597 1 1386 . 1 1 106 106 ILE CD1 C 13 15.300 0.25 . 1 . . . . . . . . 6597 1 1387 . 1 1 106 106 ILE N N 15 120.234 0.15 . 1 . . . . . . . . 6597 1 1388 . 1 1 107 107 ILE H H 1 8.949 0.01 . 1 . . . . . . . . 6597 1 1389 . 1 1 107 107 ILE HA H 1 4.770 0.01 . 1 . . . . . . . . 6597 1 1390 . 1 1 107 107 ILE HB H 1 1.012 0.01 . 1 . . . . . . . . 6597 1 1391 . 1 1 107 107 ILE HG12 H 1 1.019 0.01 . 1 . . . . . . . . 6597 1 1392 . 1 1 107 107 ILE HG13 H 1 1.602 0.01 . 1 . . . . . . . . 6597 1 1393 . 1 1 107 107 ILE HG21 H 1 0.835 0.01 . 1 . . . . . . . . 6597 1 1394 . 1 1 107 107 ILE HG22 H 1 0.835 0.01 . 1 . . . . . . . . 6597 1 1395 . 1 1 107 107 ILE HG23 H 1 0.835 0.01 . 1 . . . . . . . . 6597 1 1396 . 1 1 107 107 ILE HD11 H 1 0.886 0.01 . 1 . . . . . . . . 6597 1 1397 . 1 1 107 107 ILE HD12 H 1 0.886 0.01 . 1 . . . . . . . . 6597 1 1398 . 1 1 107 107 ILE HD13 H 1 0.886 0.01 . 1 . . . . . . . . 6597 1 1399 . 1 1 107 107 ILE C C 13 174.575 0.25 . 1 . . . . . . . . 6597 1 1400 . 1 1 107 107 ILE CA C 13 60.532 0.25 . 1 . . . . . . . . 6597 1 1401 . 1 1 107 107 ILE CB C 13 38.761 0.25 . 1 . . . . . . . . 6597 1 1402 . 1 1 107 107 ILE CG1 C 13 28.985 0.25 . 2 . . . . . . . . 6597 1 1403 . 1 1 107 107 ILE CG2 C 13 17.954 0.25 . 1 . . . . . . . . 6597 1 1404 . 1 1 107 107 ILE CD1 C 13 14.577 0.25 . 1 . . . . . . . . 6597 1 1405 . 1 1 107 107 ILE N N 15 127.995 0.15 . 1 . . . . . . . . 6597 1 1406 . 1 1 108 108 CYS H H 1 9.365 0.01 . 1 . . . . . . . . 6597 1 1407 . 1 1 108 108 CYS HA H 1 5.340 0.01 . 1 . . . . . . . . 6597 1 1408 . 1 1 108 108 CYS HB2 H 1 3.224 0.01 . 2 . . . . . . . . 6597 1 1409 . 1 1 108 108 CYS HB3 H 1 2.950 0.01 . 2 . . . . . . . . 6597 1 1410 . 1 1 108 108 CYS C C 13 173.302 0.25 . 1 . . . . . . . . 6597 1 1411 . 1 1 108 108 CYS CA C 13 57.489 0.25 . 1 . . . . . . . . 6597 1 1412 . 1 1 108 108 CYS CB C 13 31.000 0.25 . 1 . . . . . . . . 6597 1 1413 . 1 1 108 108 CYS N N 15 124.469 0.15 . 1 . . . . . . . . 6597 1 1414 . 1 1 109 109 THR H H 1 8.868 0.01 . 1 . . . . . . . . 6597 1 1415 . 1 1 109 109 THR HA H 1 4.407 0.01 . 1 . . . . . . . . 6597 1 1416 . 1 1 109 109 THR HB H 1 4.042 0.01 . 1 . . . . . . . . 6597 1 1417 . 1 1 109 109 THR HG21 H 1 1.025 0.01 . 1 . . . . . . . . 6597 1 1418 . 1 1 109 109 THR HG22 H 1 1.025 0.01 . 1 . . . . . . . . 6597 1 1419 . 1 1 109 109 THR HG23 H 1 1.025 0.01 . 1 . . . . . . . . 6597 1 1420 . 1 1 109 109 THR C C 13 173.496 0.25 . 1 . . . . . . . . 6597 1 1421 . 1 1 109 109 THR CA C 13 62.400 0.25 . 1 . . . . . . . . 6597 1 1422 . 1 1 109 109 THR CB C 13 69.096 0.25 . 1 . . . . . . . . 6597 1 1423 . 1 1 109 109 THR CG2 C 13 21.260 0.25 . 1 . . . . . . . . 6597 1 1424 . 1 1 109 109 THR N N 15 117.388 0.15 . 1 . . . . . . . . 6597 1 1425 . 1 1 110 110 ASN H H 1 8.542 0.01 . 1 . . . . . . . . 6597 1 1426 . 1 1 110 110 ASN HA H 1 5.112 0.01 . 1 . . . . . . . . 6597 1 1427 . 1 1 110 110 ASN HB2 H 1 1.980 0.01 . 2 . . . . . . . . 6597 1 1428 . 1 1 110 110 ASN HB3 H 1 1.532 0.01 . 2 . . . . . . . . 6597 1 1429 . 1 1 110 110 ASN C C 13 173.292 0.25 . 1 . . . . . . . . 6597 1 1430 . 1 1 110 110 ASN CA C 13 52.915 0.25 . 1 . . . . . . . . 6597 1 1431 . 1 1 110 110 ASN CB C 13 40.875 0.25 . 1 . . . . . . . . 6597 1 1432 . 1 1 110 110 ASN N N 15 126.521 0.15 . 1 . . . . . . . . 6597 1 1433 . 1 1 111 111 THR H H 1 8.983 0.01 . 1 . . . . . . . . 6597 1 1434 . 1 1 111 111 THR HA H 1 4.816 0.01 . 1 . . . . . . . . 6597 1 1435 . 1 1 111 111 THR HB H 1 3.998 0.01 . 1 . . . . . . . . 6597 1 1436 . 1 1 111 111 THR HG21 H 1 1.226 0.01 . 1 . . . . . . . . 6597 1 1437 . 1 1 111 111 THR HG22 H 1 1.226 0.01 . 1 . . . . . . . . 6597 1 1438 . 1 1 111 111 THR HG23 H 1 1.226 0.01 . 1 . . . . . . . . 6597 1 1439 . 1 1 111 111 THR C C 13 173.689 0.25 . 1 . . . . . . . . 6597 1 1440 . 1 1 111 111 THR CA C 13 61.705 0.25 . 1 . . . . . . . . 6597 1 1441 . 1 1 111 111 THR CB C 13 70.916 0.25 . 1 . . . . . . . . 6597 1 1442 . 1 1 111 111 THR CG2 C 13 21.761 0.25 . 1 . . . . . . . . 6597 1 1443 . 1 1 111 111 THR N N 15 121.027 0.15 . 1 . . . . . . . . 6597 1 1444 . 1 1 112 112 ASN H H 1 8.774 0.01 . 1 . . . . . . . . 6597 1 1445 . 1 1 112 112 ASN HA H 1 5.203 0.01 . 1 . . . . . . . . 6597 1 1446 . 1 1 112 112 ASN HB2 H 1 2.924 0.01 . 2 . . . . . . . . 6597 1 1447 . 1 1 112 112 ASN HB3 H 1 2.517 0.01 . 2 . . . . . . . . 6597 1 1448 . 1 1 112 112 ASN HD21 H 1 7.679 0.01 . 2 . . . . . . . . 6597 1 1449 . 1 1 112 112 ASN HD22 H 1 6.818 0.01 . 2 . . . . . . . . 6597 1 1450 . 1 1 112 112 ASN C C 13 174.674 0.25 . 1 . . . . . . . . 6597 1 1451 . 1 1 112 112 ASN CA C 13 53.573 0.25 . 1 . . . . . . . . 6597 1 1452 . 1 1 112 112 ASN CB C 13 39.358 0.25 . 1 . . . . . . . . 6597 1 1453 . 1 1 112 112 ASN CG C 13 174.965 0.25 . 1 . . . . . . . . 6597 1 1454 . 1 1 112 112 ASN N N 15 125.777 0.15 . 1 . . . . . . . . 6597 1 1455 . 1 1 112 112 ASN ND2 N 15 110.500 0.15 . 1 . . . . . . . . 6597 1 1456 . 1 1 113 113 VAL H H 1 8.260 0.01 . 1 . . . . . . . . 6597 1 1457 . 1 1 113 113 VAL HA H 1 4.222 0.01 . 1 . . . . . . . . 6597 1 1458 . 1 1 113 113 VAL HB H 1 2.107 0.01 . 1 . . . . . . . . 6597 1 1459 . 1 1 113 113 VAL HG11 H 1 0.880 0.01 . 2 . . . . . . . . 6597 1 1460 . 1 1 113 113 VAL HG12 H 1 0.880 0.01 . 2 . . . . . . . . 6597 1 1461 . 1 1 113 113 VAL HG13 H 1 0.880 0.01 . 2 . . . . . . . . 6597 1 1462 . 1 1 113 113 VAL HG21 H 1 0.863 0.01 . 2 . . . . . . . . 6597 1 1463 . 1 1 113 113 VAL HG22 H 1 0.863 0.01 . 2 . . . . . . . . 6597 1 1464 . 1 1 113 113 VAL HG23 H 1 0.863 0.01 . 2 . . . . . . . . 6597 1 1465 . 1 1 113 113 VAL C C 13 175.535 0.25 . 1 . . . . . . . . 6597 1 1466 . 1 1 113 113 VAL CA C 13 62.032 0.25 . 1 . . . . . . . . 6597 1 1467 . 1 1 113 113 VAL CB C 13 33.128 0.25 . 1 . . . . . . . . 6597 1 1468 . 1 1 113 113 VAL CG1 C 13 21.806 0.25 . 1 . . . . . . . . 6597 1 1469 . 1 1 113 113 VAL CG2 C 13 20.642 0.25 . 1 . . . . . . . . 6597 1 1470 . 1 1 113 113 VAL N N 15 124.183 0.15 . 1 . . . . . . . . 6597 1 1471 . 1 1 114 114 LYS H H 1 8.358 0.01 . 1 . . . . . . . . 6597 1 1472 . 1 1 114 114 LYS HA H 1 4.405 0.01 . 1 . . . . . . . . 6597 1 1473 . 1 1 114 114 LYS HB2 H 1 1.864 0.01 . 2 . . . . . . . . 6597 1 1474 . 1 1 114 114 LYS HB3 H 1 1.827 0.01 . 2 . . . . . . . . 6597 1 1475 . 1 1 114 114 LYS HG2 H 1 1.454 0.01 . 2 . . . . . . . . 6597 1 1476 . 1 1 114 114 LYS HG3 H 1 1.430 0.01 . 2 . . . . . . . . 6597 1 1477 . 1 1 114 114 LYS HD2 H 1 1.672 0.01 . 1 . . . . . . . . 6597 1 1478 . 1 1 114 114 LYS HD3 H 1 1.672 0.01 . 1 . . . . . . . . 6597 1 1479 . 1 1 114 114 LYS HE2 H 1 2.974 0.01 . 1 . . . . . . . . 6597 1 1480 . 1 1 114 114 LYS HE3 H 1 2.974 0.01 . 1 . . . . . . . . 6597 1 1481 . 1 1 114 114 LYS C C 13 176.164 0.25 . 1 . . . . . . . . 6597 1 1482 . 1 1 114 114 LYS CA C 13 56.571 0.25 . 1 . . . . . . . . 6597 1 1483 . 1 1 114 114 LYS CB C 13 33.299 0.25 . 1 . . . . . . . . 6597 1 1484 . 1 1 114 114 LYS CG C 13 24.895 0.25 . 1 . . . . . . . . 6597 1 1485 . 1 1 114 114 LYS CD C 13 29.234 0.25 . 1 . . . . . . . . 6597 1 1486 . 1 1 114 114 LYS CE C 13 42.248 0.25 . 1 . . . . . . . . 6597 1 1487 . 1 1 114 114 LYS N N 15 122.796 0.15 . 1 . . . . . . . . 6597 1 1488 . 1 1 115 115 ASN H H 1 8.464 0.01 . 1 . . . . . . . . 6597 1 1489 . 1 1 115 115 ASN HA H 1 4.679 0.01 . 1 . . . . . . . . 6597 1 1490 . 1 1 115 115 ASN HB2 H 1 2.716 0.01 . 2 . . . . . . . . 6597 1 1491 . 1 1 115 115 ASN HB3 H 1 2.560 0.01 . 2 . . . . . . . . 6597 1 1492 . 1 1 115 115 ASN HD21 H 1 7.115 0.01 . 2 . . . . . . . . 6597 1 1493 . 1 1 115 115 ASN HD22 H 1 6.836 0.01 . 2 . . . . . . . . 6597 1 1494 . 1 1 115 115 ASN C C 13 175.125 0.25 . 1 . . . . . . . . 6597 1 1495 . 1 1 115 115 ASN CA C 13 53.040 0.25 . 1 . . . . . . . . 6597 1 1496 . 1 1 115 115 ASN CB C 13 38.991 0.25 . 1 . . . . . . . . 6597 1 1497 . 1 1 115 115 ASN CG C 13 176.712 0.25 . 1 . . . . . . . . 6597 1 1498 . 1 1 115 115 ASN N N 15 119.896 0.15 . 1 . . . . . . . . 6597 1 1499 . 1 1 115 115 ASN ND2 N 15 112.000 0.15 . 1 . . . . . . . . 6597 1 1500 . 1 1 116 116 SER H H 1 8.240 0.01 . 1 . . . . . . . . 6597 1 1501 . 1 1 116 116 SER HA H 1 4.378 0.01 . 1 . . . . . . . . 6597 1 1502 . 1 1 116 116 SER HB2 H 1 3.810 0.01 . 2 . . . . . . . . 6597 1 1503 . 1 1 116 116 SER HB3 H 1 3.672 0.01 . 2 . . . . . . . . 6597 1 1504 . 1 1 116 116 SER C C 13 174.578 0.25 . 1 . . . . . . . . 6597 1 1505 . 1 1 116 116 SER CA C 13 58.607 0.25 . 1 . . . . . . . . 6597 1 1506 . 1 1 116 116 SER CB C 13 63.763 0.25 . 1 . . . . . . . . 6597 1 1507 . 1 1 116 116 SER N N 15 116.376 0.15 . 1 . . . . . . . . 6597 1 1508 . 1 1 117 117 SER H H 1 8.306 0.01 . 1 . . . . . . . . 6597 1 1509 . 1 1 117 117 SER HA H 1 4.463 0.01 . 1 . . . . . . . . 6597 1 1510 . 1 1 117 117 SER HB2 H 1 3.878 0.01 . 1 . . . . . . . . 6597 1 1511 . 1 1 117 117 SER HB3 H 1 3.878 0.01 . 1 . . . . . . . . 6597 1 1512 . 1 1 117 117 SER C C 13 174.291 0.25 . 1 . . . . . . . . 6597 1 1513 . 1 1 117 117 SER CA C 13 58.651 0.25 . 1 . . . . . . . . 6597 1 1514 . 1 1 117 117 SER CB C 13 63.813 0.25 . 1 . . . . . . . . 6597 1 1515 . 1 1 117 117 SER N N 15 117.538 0.15 . 1 . . . . . . . . 6597 1 1516 . 1 1 118 118 GLN H H 1 8.267 0.01 . 1 . . . . . . . . 6597 1 1517 . 1 1 118 118 GLN HA H 1 4.362 0.01 . 1 . . . . . . . . 6597 1 1518 . 1 1 118 118 GLN HB2 H 1 2.142 0.01 . 2 . . . . . . . . 6597 1 1519 . 1 1 118 118 GLN HB3 H 1 1.951 0.01 . 2 . . . . . . . . 6597 1 1520 . 1 1 118 118 GLN HG2 H 1 2.322 0.01 . 1 . . . . . . . . 6597 1 1521 . 1 1 118 118 GLN HG3 H 1 2.322 0.01 . 1 . . . . . . . . 6597 1 1522 . 1 1 118 118 GLN HE21 H 1 7.576 0.01 . 2 . . . . . . . . 6597 1 1523 . 1 1 118 118 GLN HE22 H 1 6.819 0.01 . 2 . . . . . . . . 6597 1 1524 . 1 1 118 118 GLN C C 13 174.920 0.25 . 1 . . . . . . . . 6597 1 1525 . 1 1 118 118 GLN CA C 13 55.825 0.25 . 1 . . . . . . . . 6597 1 1526 . 1 1 118 118 GLN CB C 13 29.737 0.25 . 1 . . . . . . . . 6597 1 1527 . 1 1 118 118 GLN CG C 13 33.964 0.25 . 1 . . . . . . . . 6597 1 1528 . 1 1 118 118 GLN CD C 13 180.710 0.25 . 1 . . . . . . . . 6597 1 1529 . 1 1 118 118 GLN N N 15 122.245 0.15 . 1 . . . . . . . . 6597 1 1530 . 1 1 118 118 GLN NE2 N 15 112.356 0.15 . 1 . . . . . . . . 6597 1 1531 . 1 1 119 119 GLU H H 1 8.002 0.01 . 1 . . . . . . . . 6597 1 1532 . 1 1 119 119 GLU HA H 1 4.102 0.01 . 1 . . . . . . . . 6597 1 1533 . 1 1 119 119 GLU HB2 H 1 2.040 0.01 . 2 . . . . . . . . 6597 1 1534 . 1 1 119 119 GLU HB3 H 1 1.870 0.01 . 2 . . . . . . . . 6597 1 1535 . 1 1 119 119 GLU HG2 H 1 2.200 0.01 . 1 . . . . . . . . 6597 1 1536 . 1 1 119 119 GLU HG3 H 1 2.200 0.01 . 1 . . . . . . . . 6597 1 1537 . 1 1 119 119 GLU CA C 13 58.162 0.25 . 1 . . . . . . . . 6597 1 1538 . 1 1 119 119 GLU CB C 13 31.170 0.25 . 1 . . . . . . . . 6597 1 1539 . 1 1 119 119 GLU CG C 13 36.780 0.25 . 1 . . . . . . . . 6597 1 1540 . 1 1 119 119 GLU N N 15 127.461 0.15 . 1 . . . . . . . . 6597 1 stop_ save_