data_6823 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6823 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Pharmacophore analysis of the Human Rhinovirus 3C Protease' . . 6823 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6823 _Entry.Title ; Backbone and Sidechain chemical shift assignments of the Human Rhinovirus 3C Protease covalently complexed with a peptidyl inhibitor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-09-12 _Entry.Accession_date 2005-09-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'HRV14-3C bound with an Ace-LEALFQ-ethylpropeonate inhibitor' _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 Trent Bjorndahl . C. . 6823 2 Lena Andrew . S. . 6823 3 David Wishart . S. . 6823 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . UofA . 6823 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6823 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 802 6823 '15N chemical shifts' 184 6823 '1H chemical shifts' 1335 6823 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 2 . . 2007-11-14 2005-09-12 update BMRB 'complete entry citation' 6823 1 . . 2006-10-26 2005-09-12 original author 'original release' 6823 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID . 5659 'Apo form' 6823 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6823 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17944485 _Citation.Full_citation . _Citation.Title 'NMR Solution Structures of the Apo and Peptide-Inhibited Human Rhinovirus 3C Protease (Serotype 14): Structural and Dynamic Comparison' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 46 _Citation.Journal_issue 45 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 12945 _Citation.Page_last 12958 _Citation.Year 2007 _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 Trent Bjorndahl . C. . 6823 1 2 Lena Andrew . S. . 6823 1 3 Valentyna Semenchenko . . . 6823 1 4 David Wishart . S. . 6823 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6823 _Assembly.ID 1 _Assembly.Name HRV14-3C _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'free and other bound' _Assembly.Molecular_mass 20813.67 _Assembly.Enzyme_commission_number 3.4.22.28 _Assembly.Details 'Human rhinovirus serotype 14 3C protease complexed with Acetyl-LEALFQ-ethylpropeonate' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein-inhibitor complex' 6823 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 HRV 1 $HRV_protease_polypeptide . . yes native no no . . . 6823 1 2 LEALFQ 2 $LEALFQ . . . . . . . . . 6823 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 146 146 HG . . . . 6823 1 stop_ loop_ _Assembly_systematic_name.Name _Assembly_systematic_name.Naming_system _Assembly_systematic_name.Entry_ID _Assembly_systematic_name.Assembly_ID HRV14-3C IUPAC 6823 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID protease 6823 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID 3C 6823 1 cysteine 6823 1 picornavirus 6823 1 protease 6823 1 rhinovirus 6823 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HRV_protease_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode HRV_protease_polypeptide _Entity.Entry_ID 6823 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HRV14-3C protease with Acetyl-LEALFQ-ethylpropeonate' _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 ; GPNTEFALSLLRKNIMTITT SKGEFTGLGIHDRVCVIPTH AQPGDDVLVNGQKIRVKDKY KLVDPENINLELTVLTLDRN EKFRDIRGFISEDLEGVDAT LVVHSNNFTNTILEVGPVTM AGLINLSSTPTNRMIRYDYA TKTGQCGGVLCATGKIFGIH VGGNGRQGFSAQLKKQYFVE KQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 182 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20813.67 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Ace-LEALFQ-ethylpropeonate complexed to HRV14-3C at C146' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2B0F . "Nmr Structure Of The Human Rhinovirus 3c Protease (Serotype 14) With Covalently Bound Ace-Lealfq-Ethylpropionate Inhibitor" . . . . . 100.00 182 100.00 100.00 7.20e-102 . . . . 6823 1 no PDB 2IN2 . "Nmr Structure Of The Apo Human Rhinovirus 3c Protease (Serotype 14)" . . . . . 100.00 182 100.00 100.00 7.20e-102 . . . . 6823 1 no EMBL CAA25565 . "polyprotein [Human rhinovirus sp.]" . . . . . 100.00 2179 100.00 100.00 5.33e-103 . . . . 6823 1 no GB AAA45756 . "polyprotein [Human rhinovirus 14]" . . . . . 100.00 2179 100.00 100.00 4.99e-103 . . . . 6823 1 no GB AAA45757 . "protease precursor [Human rhinovirus sp.]" . . . . . 100.00 182 100.00 100.00 7.20e-102 . . . . 6823 1 no GB AAA45758 . "polyprotein [Human rhinovirus 14]" . . . . . 100.00 2179 100.00 100.00 4.95e-103 . . . . 6823 1 no REF NP_041009 . "polyprotein [Human rhinovirus 14]" . . . . . 100.00 2179 100.00 100.00 4.99e-103 . . . . 6823 1 no REF NP_740524 . "3C (protease) [Human rhinovirus 14]" . . . . . 100.00 182 100.00 100.00 7.20e-102 . . . . 6823 1 no SP P03303 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Protein VP0; AltName: Full=VP4-VP2; Contains: RecName: Full=Protein V" . . . . . 100.00 2179 100.00 100.00 5.51e-103 . . . . 6823 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID protease 6823 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'HRV14-3C protease' . 6823 1 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'human rhinovirus 3C protease (serotype 14)' . 6823 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID protease 6823 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 . 6823 1 2 . PRO . 6823 1 3 . ASN . 6823 1 4 . THR . 6823 1 5 . GLU . 6823 1 6 . PHE . 6823 1 7 . ALA . 6823 1 8 . LEU . 6823 1 9 . SER . 6823 1 10 . LEU . 6823 1 11 . LEU . 6823 1 12 . ARG . 6823 1 13 . LYS . 6823 1 14 . ASN . 6823 1 15 . ILE . 6823 1 16 . MET . 6823 1 17 . THR . 6823 1 18 . ILE . 6823 1 19 . THR . 6823 1 20 . THR . 6823 1 21 . SER . 6823 1 22 . LYS . 6823 1 23 . GLY . 6823 1 24 . GLU . 6823 1 25 . PHE . 6823 1 26 . THR . 6823 1 27 . GLY . 6823 1 28 . LEU . 6823 1 29 . GLY . 6823 1 30 . ILE . 6823 1 31 . HIS . 6823 1 32 . ASP . 6823 1 33 . ARG . 6823 1 34 . VAL . 6823 1 35 . CYS . 6823 1 36 . VAL . 6823 1 37 . ILE . 6823 1 38 . PRO . 6823 1 39 . THR . 6823 1 40 . HIS . 6823 1 41 . ALA . 6823 1 42 . GLN . 6823 1 43 . PRO . 6823 1 44 . GLY . 6823 1 45 . ASP . 6823 1 46 . ASP . 6823 1 47 . VAL . 6823 1 48 . LEU . 6823 1 49 . VAL . 6823 1 50 . ASN . 6823 1 51 . GLY . 6823 1 52 . GLN . 6823 1 53 . LYS . 6823 1 54 . ILE . 6823 1 55 . ARG . 6823 1 56 . VAL . 6823 1 57 . LYS . 6823 1 58 . ASP . 6823 1 59 . LYS . 6823 1 60 . TYR . 6823 1 61 . LYS . 6823 1 62 . LEU . 6823 1 63 . VAL . 6823 1 64 . ASP . 6823 1 65 . PRO . 6823 1 66 . GLU . 6823 1 67 . ASN . 6823 1 68 . ILE . 6823 1 69 . ASN . 6823 1 70 . LEU . 6823 1 71 . GLU . 6823 1 72 . LEU . 6823 1 73 . THR . 6823 1 74 . VAL . 6823 1 75 . LEU . 6823 1 76 . THR . 6823 1 77 . LEU . 6823 1 78 . ASP . 6823 1 79 . ARG . 6823 1 80 . ASN . 6823 1 81 . GLU . 6823 1 82 . LYS . 6823 1 83 . PHE . 6823 1 84 . ARG . 6823 1 85 . ASP . 6823 1 86 . ILE . 6823 1 87 . ARG . 6823 1 88 . GLY . 6823 1 89 . PHE . 6823 1 90 . ILE . 6823 1 91 . SER . 6823 1 92 . GLU . 6823 1 93 . ASP . 6823 1 94 . LEU . 6823 1 95 . GLU . 6823 1 96 . GLY . 6823 1 97 . VAL . 6823 1 98 . ASP . 6823 1 99 . ALA . 6823 1 100 . THR . 6823 1 101 . LEU . 6823 1 102 . VAL . 6823 1 103 . VAL . 6823 1 104 . HIS . 6823 1 105 . SER . 6823 1 106 . ASN . 6823 1 107 . ASN . 6823 1 108 . PHE . 6823 1 109 . THR . 6823 1 110 . ASN . 6823 1 111 . THR . 6823 1 112 . ILE . 6823 1 113 . LEU . 6823 1 114 . GLU . 6823 1 115 . VAL . 6823 1 116 . GLY . 6823 1 117 . PRO . 6823 1 118 . VAL . 6823 1 119 . THR . 6823 1 120 . MET . 6823 1 121 . ALA . 6823 1 122 . GLY . 6823 1 123 . LEU . 6823 1 124 . ILE . 6823 1 125 . ASN . 6823 1 126 . LEU . 6823 1 127 . SER . 6823 1 128 . SER . 6823 1 129 . THR . 6823 1 130 . PRO . 6823 1 131 . THR . 6823 1 132 . ASN . 6823 1 133 . ARG . 6823 1 134 . MET . 6823 1 135 . ILE . 6823 1 136 . ARG . 6823 1 137 . TYR . 6823 1 138 . ASP . 6823 1 139 . TYR . 6823 1 140 . ALA . 6823 1 141 . THR . 6823 1 142 . LYS . 6823 1 143 . THR . 6823 1 144 . GLY . 6823 1 145 . GLN . 6823 1 146 . CYS . 6823 1 147 . GLY . 6823 1 148 . GLY . 6823 1 149 . VAL . 6823 1 150 . LEU . 6823 1 151 . CYS . 6823 1 152 . ALA . 6823 1 153 . THR . 6823 1 154 . GLY . 6823 1 155 . LYS . 6823 1 156 . ILE . 6823 1 157 . PHE . 6823 1 158 . GLY . 6823 1 159 . ILE . 6823 1 160 . HIS . 6823 1 161 . VAL . 6823 1 162 . GLY . 6823 1 163 . GLY . 6823 1 164 . ASN . 6823 1 165 . GLY . 6823 1 166 . ARG . 6823 1 167 . GLN . 6823 1 168 . GLY . 6823 1 169 . PHE . 6823 1 170 . SER . 6823 1 171 . ALA . 6823 1 172 . GLN . 6823 1 173 . LEU . 6823 1 174 . LYS . 6823 1 175 . LYS . 6823 1 176 . GLN . 6823 1 177 . TYR . 6823 1 178 . PHE . 6823 1 179 . VAL . 6823 1 180 . GLU . 6823 1 181 . LYS . 6823 1 182 . GLN . 6823 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 6823 1 . PRO 2 2 6823 1 . ASN 3 3 6823 1 . THR 4 4 6823 1 . GLU 5 5 6823 1 . PHE 6 6 6823 1 . ALA 7 7 6823 1 . LEU 8 8 6823 1 . SER 9 9 6823 1 . LEU 10 10 6823 1 . LEU 11 11 6823 1 . ARG 12 12 6823 1 . LYS 13 13 6823 1 . ASN 14 14 6823 1 . ILE 15 15 6823 1 . MET 16 16 6823 1 . THR 17 17 6823 1 . ILE 18 18 6823 1 . THR 19 19 6823 1 . THR 20 20 6823 1 . SER 21 21 6823 1 . LYS 22 22 6823 1 . GLY 23 23 6823 1 . GLU 24 24 6823 1 . PHE 25 25 6823 1 . THR 26 26 6823 1 . GLY 27 27 6823 1 . LEU 28 28 6823 1 . GLY 29 29 6823 1 . ILE 30 30 6823 1 . HIS 31 31 6823 1 . ASP 32 32 6823 1 . ARG 33 33 6823 1 . VAL 34 34 6823 1 . CYS 35 35 6823 1 . VAL 36 36 6823 1 . ILE 37 37 6823 1 . PRO 38 38 6823 1 . THR 39 39 6823 1 . HIS 40 40 6823 1 . ALA 41 41 6823 1 . GLN 42 42 6823 1 . PRO 43 43 6823 1 . GLY 44 44 6823 1 . ASP 45 45 6823 1 . ASP 46 46 6823 1 . VAL 47 47 6823 1 . LEU 48 48 6823 1 . VAL 49 49 6823 1 . ASN 50 50 6823 1 . GLY 51 51 6823 1 . GLN 52 52 6823 1 . LYS 53 53 6823 1 . ILE 54 54 6823 1 . ARG 55 55 6823 1 . VAL 56 56 6823 1 . LYS 57 57 6823 1 . ASP 58 58 6823 1 . LYS 59 59 6823 1 . TYR 60 60 6823 1 . LYS 61 61 6823 1 . LEU 62 62 6823 1 . VAL 63 63 6823 1 . ASP 64 64 6823 1 . PRO 65 65 6823 1 . GLU 66 66 6823 1 . ASN 67 67 6823 1 . ILE 68 68 6823 1 . ASN 69 69 6823 1 . LEU 70 70 6823 1 . GLU 71 71 6823 1 . LEU 72 72 6823 1 . THR 73 73 6823 1 . VAL 74 74 6823 1 . LEU 75 75 6823 1 . THR 76 76 6823 1 . LEU 77 77 6823 1 . ASP 78 78 6823 1 . ARG 79 79 6823 1 . ASN 80 80 6823 1 . GLU 81 81 6823 1 . LYS 82 82 6823 1 . PHE 83 83 6823 1 . ARG 84 84 6823 1 . ASP 85 85 6823 1 . ILE 86 86 6823 1 . ARG 87 87 6823 1 . GLY 88 88 6823 1 . PHE 89 89 6823 1 . ILE 90 90 6823 1 . SER 91 91 6823 1 . GLU 92 92 6823 1 . ASP 93 93 6823 1 . LEU 94 94 6823 1 . GLU 95 95 6823 1 . GLY 96 96 6823 1 . VAL 97 97 6823 1 . ASP 98 98 6823 1 . ALA 99 99 6823 1 . THR 100 100 6823 1 . LEU 101 101 6823 1 . VAL 102 102 6823 1 . VAL 103 103 6823 1 . HIS 104 104 6823 1 . SER 105 105 6823 1 . ASN 106 106 6823 1 . ASN 107 107 6823 1 . PHE 108 108 6823 1 . THR 109 109 6823 1 . ASN 110 110 6823 1 . THR 111 111 6823 1 . ILE 112 112 6823 1 . LEU 113 113 6823 1 . GLU 114 114 6823 1 . VAL 115 115 6823 1 . GLY 116 116 6823 1 . PRO 117 117 6823 1 . VAL 118 118 6823 1 . THR 119 119 6823 1 . MET 120 120 6823 1 . ALA 121 121 6823 1 . GLY 122 122 6823 1 . LEU 123 123 6823 1 . ILE 124 124 6823 1 . ASN 125 125 6823 1 . LEU 126 126 6823 1 . SER 127 127 6823 1 . SER 128 128 6823 1 . THR 129 129 6823 1 . PRO 130 130 6823 1 . THR 131 131 6823 1 . ASN 132 132 6823 1 . ARG 133 133 6823 1 . MET 134 134 6823 1 . ILE 135 135 6823 1 . ARG 136 136 6823 1 . TYR 137 137 6823 1 . ASP 138 138 6823 1 . TYR 139 139 6823 1 . ALA 140 140 6823 1 . THR 141 141 6823 1 . LYS 142 142 6823 1 . THR 143 143 6823 1 . GLY 144 144 6823 1 . GLN 145 145 6823 1 . CYS 146 146 6823 1 . GLY 147 147 6823 1 . GLY 148 148 6823 1 . VAL 149 149 6823 1 . LEU 150 150 6823 1 . CYS 151 151 6823 1 . ALA 152 152 6823 1 . THR 153 153 6823 1 . GLY 154 154 6823 1 . LYS 155 155 6823 1 . ILE 156 156 6823 1 . PHE 157 157 6823 1 . GLY 158 158 6823 1 . ILE 159 159 6823 1 . HIS 160 160 6823 1 . VAL 161 161 6823 1 . GLY 162 162 6823 1 . GLY 163 163 6823 1 . ASN 164 164 6823 1 . GLY 165 165 6823 1 . ARG 166 166 6823 1 . GLN 167 167 6823 1 . GLY 168 168 6823 1 . PHE 169 169 6823 1 . SER 170 170 6823 1 . ALA 171 171 6823 1 . GLN 172 172 6823 1 . LEU 173 173 6823 1 . LYS 174 174 6823 1 . LYS 175 175 6823 1 . GLN 176 176 6823 1 . TYR 177 177 6823 1 . PHE 178 178 6823 1 . VAL 179 179 6823 1 . GLU 180 180 6823 1 . LYS 181 181 6823 1 . GLN 182 182 6823 1 stop_ save_ save_LEALFQ _Entity.Sf_category entity _Entity.Sf_framecode LEALFQ _Entity.Entry_ID 6823 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Acetyl-LEALFQ-ethylpropeonate _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 XLEALFQX _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 8 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 183 ACE . 6823 2 2 183 LEU . 6823 2 3 184 GLU . 6823 2 4 185 ALA . 6823 2 5 186 LEU . 6823 2 6 187 PHE . 6823 2 7 188 GLN . 6823 2 8 189 CA1 . 6823 2 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 . ACE 1 1 6823 2 . LEU 2 2 6823 2 . GLU 3 3 6823 2 . ALA 4 4 6823 2 . LEU 5 5 6823 2 . PHE 6 6 6823 2 . GLN 7 7 6823 2 . CA1 8 8 6823 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6823 _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 $HRV_protease_polypeptide . 12131 virus no . rhinovirus . . Viruses 'Not applicable' Rhinovirus 'Human Rhinovirus B' 14 . . . . . . . . . . . . . . . . . . . . 6823 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 6823 _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 $HRV_protease_polypeptide . 'recombinant technology' . 'E. coli' BL21-DE3 . . . . . . . . . . . . . . . . . . . . . . . . . . 6823 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ACE _Chem_comp.Entry_ID 6823 _Chem_comp.ID ACE _Chem_comp.Provenance . _Chem_comp.Name 'ACETYL GROUP' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ACE _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces ACU _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ACE _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C2 H4 O' _Chem_comp.Formula_weight 44.053 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBE _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 29 12:02:09 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC=O SMILES CACTVS 3.341 6823 ACE CC=O SMILES 'OpenEye OEToolkits' 1.5.0 6823 ACE CC=O SMILES_CANONICAL CACTVS 3.341 6823 ACE CC=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6823 ACE IKHGUXGNUITLKF-UHFFFAOYSA-N InChIKey InChI 1.03 6823 ACE InChI=1S/C2H4O/c1-2-3/h2H,1H3 InChI InChI 1.03 6823 ACE O=CC SMILES ACDLabs 10.04 6823 ACE stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID acetaldehyde 'SYSTEMATIC NAME' ACDLabs 10.04 6823 ACE ethanal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6823 ACE stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C . C . . C . . N 0 . . . . no no . . . . 0.772 . -10.072 . 6.578 . -0.133 0.453 0.000 1 . 6823 ACE O . O . . O . . N 0 . . . . no no . . . . 1.973 . -10.223 . 6.862 . -1.113 -0.252 0.000 2 . 6823 ACE CH3 . CH3 . . C . . N 0 . . . . no no . . . . -0.322 . -10.677 . 7.405 . 1.241 -0.167 0.000 3 . 6823 ACE H . H . . H . . N 0 . . . . no no . . . . 0.685 . -9.453 . 5.669 . -0.240 1.528 0.000 4 . 6823 ACE H1 . H1 . . H . . N 0 . . . . no no . . . . -1.191 . -10.444 . 7.018 . 1.360 -0.785 0.890 5 . 6823 ACE H2 . H2 . . H . . N 0 . . . . no no . . . . -0.269 . -10.331 . 8.320 . 1.360 -0.785 -0.890 6 . 6823 ACE H3 . H3 . . H . . N 0 . . . . no no . . . . -0.221 . -11.652 . 7.418 . 1.995 0.620 0.000 7 . 6823 ACE stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C O no N 1 . 6823 ACE 2 . SING C CH3 no N 2 . 6823 ACE 3 . SING C H no N 3 . 6823 ACE 4 . SING CH3 H1 no N 4 . 6823 ACE 5 . SING CH3 H2 no N 5 . 6823 ACE 6 . SING CH3 H3 no N 6 . 6823 ACE stop_ save_ save_chem_comp_CA1 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA1 _Chem_comp.Entry_ID 6823 _Chem_comp.ID CA1 _Chem_comp.Provenance . _Chem_comp.Name 'ETHYL PROPIONATE' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA1 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2005-09-14 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA1 _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H10 O2' _Chem_comp.Formula_weight 102.132 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 29 12:09:31 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CCC(=O)OCC SMILES 'OpenEye OEToolkits' 1.5.0 6823 CA1 CCC(=O)OCC SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6823 CA1 CCOC(=O)CC SMILES CACTVS 3.341 6823 CA1 CCOC(=O)CC SMILES_CANONICAL CACTVS 3.341 6823 CA1 FKRCODPIKNYEAC-UHFFFAOYSA-N InChIKey InChI 1.03 6823 CA1 InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3 InChI InChI 1.03 6823 CA1 O=C(OCC)CC SMILES ACDLabs 10.04 6823 CA1 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 'ethyl propanoate' 'SYSTEMATIC NAME' ACDLabs 10.04 6823 CA1 'ethyl propanoate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6823 CA1 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CX5 . CX5 . . C . . N 0 . . . . no no . . . . 305.215 . -1.930 . -6.160 . -2.988 -0.068 0.000 1 . 6823 CA1 CX6 . CX6 . . C . . N 0 . . . . no no . . . . 304.494 . -1.800 . -7.499 . -1.696 -0.888 0.001 2 . 6823 CA1 CX7 . CX7 . . C . . N 0 . . . . no no . . . . 304.153 . -3.142 . -8.092 . -0.511 0.043 0.000 3 . 6823 CA1 OX8 . OX8 . . O . . N 0 . . . . no no . . . . 304.491 . -4.176 . -7.497 . -0.681 1.239 -0.001 4 . 6823 CA1 OX9 . OX9 . . O . . N 0 . . . . no no . . . . 303.569 . -3.168 . -9.203 . 0.735 -0.457 0.000 5 . 6823 CA1 CJ1 . CJ1 . . C . . N 0 . . . . no no . . . . 303.174 . -4.483 . -9.908 . 1.877 0.439 0.000 6 . 6823 CA1 CJ2 . CJ2 . . C . . N 0 . . . . no no . . . . 302.438 . -4.434 . -11.237 . 3.169 -0.380 0.000 7 . 6823 CA1 H1 . H1 . . H . . N 0 . . . . no no . . . . 304.895 . -2.856 . -5.660 . -3.845 -0.741 0.001 8 . 6823 CA1 HX51 . HX51 . . H . . N 0 . . . . no no . . . . 304.968 . -1.066 . -5.525 . -3.019 0.561 0.890 9 . 6823 CA1 HX52 . HX52 . . H . . N 0 . . . . no no . . . . 306.301 . -1.961 . -6.329 . -3.019 0.560 -0.890 10 . 6823 CA1 H2 . H2 . . H . . N 0 . . . . no no . . . . 305.166 . -1.280 . -8.198 . -1.664 -1.517 -0.889 11 . 6823 CA1 H3 . H3 . . H . . N 0 . . . . no no . . . . 303.561 . -1.238 . -7.342 . -1.664 -1.515 0.891 12 . 6823 CA1 H4 . H4 . . H . . N 0 . . . . no no . . . . 302.446 . -4.940 . -9.222 . 1.846 1.069 0.889 13 . 6823 CA1 H5 . H5 . . H . . N 0 . . . . no no . . . . 304.113 . -5.024 . -10.097 . 1.846 1.067 -0.891 14 . 6823 CA1 H6 . H6 . . H . . N 0 . . . . no no . . . . 302.700 . -5.320 . -11.834 . 3.201 -1.008 0.891 15 . 6823 CA1 H7 . H7 . . H . . N 0 . . . . no no . . . . 302.728 . -3.524 . -11.783 . 3.201 -1.010 -0.889 16 . 6823 CA1 H8 . H8 . . H . . N 0 . . . . no no . . . . 301.353 . -4.422 . -11.056 . 4.027 0.293 0.000 17 . 6823 CA1 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING CX5 CX6 no N 1 . 6823 CA1 2 . SING CX5 H1 no N 2 . 6823 CA1 3 . SING CX5 HX51 no N 3 . 6823 CA1 4 . SING CX5 HX52 no N 4 . 6823 CA1 5 . SING CX6 CX7 no N 5 . 6823 CA1 6 . SING CX6 H2 no N 6 . 6823 CA1 7 . SING CX6 H3 no N 7 . 6823 CA1 8 . DOUB CX7 OX8 no N 8 . 6823 CA1 9 . SING CX7 OX9 no N 9 . 6823 CA1 10 . SING OX9 CJ1 no N 10 . 6823 CA1 11 . SING CJ1 CJ2 no N 11 . 6823 CA1 12 . SING CJ1 H4 no N 12 . 6823 CA1 13 . SING CJ1 H5 no N 13 . 6823 CA1 14 . SING CJ2 H6 no N 14 . 6823 CA1 15 . SING CJ2 H7 no N 15 . 6823 CA1 16 . SING CJ2 H8 no N 16 . 6823 CA1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6823 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details HRV14-3C _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 'HRV14-3C protease with Acetyl-LEALFQ-ethylpropeonate' '[U-90%13C; U-90% 15N]' . . 1 $HRV_protease_polypeptide . protein 0.75 . . mM . . . . 6823 1 2 'HRV14-3C protease with Acetyl-LEALFQ-ethylpropeonate' . . . 2 $LEALFQ . protein 0.75 . . mM . . . . 6823 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6823 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 0.2 mM 6823 1 pH 6.5 0.1 pH 6823 1 temperature 298 0.1 K 6823 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR_6.1c _Software.Sf_category software _Software.Sf_framecode VNMR_6.1c _Software.Entry_ID 6823 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1c _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian ; 3145 Hanover Street Palo Alto, CA. 94304 USA ; www.varianinc.com 6823 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data collection' 6823 1 stop_ save_ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6823 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NIH . . 6823 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 6823 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 6823 _Software.ID 3 _Software.Name NMRDraw _Software.Version 5.2.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6823 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz _NMR_spectrometer.Entry_ID 6823 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details ; Oxford 500MHz unshielded magnet Varian Inova Console ; _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6823 _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 '1N15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz . . . . . . . . . . . . . . . . 6823 1 2 '1N13C HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz . . . . . . . . . . . . . . . . 6823 1 3 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz . . . . . . . . . . . . . . . . 6823 1 4 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz . . . . . . . . . . . . . . . . 6823 1 5 CBCACONNH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz . . . . . . . . . . . . . . . . 6823 1 6 HBHACONNH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz . . . . . . . . . . . . . . . . 6823 1 7 CCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz . . . . . . . . . . . . . . . . 6823 1 8 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz . . . . . . . . . . . . . . . . 6823 1 9 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz . . . . . . . . . . . . . . . . 6823 1 10 15N-NOESY-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz . . . . . . . . . . . . . . . . 6823 1 11 13C-NOESY-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz . . . . . . . . . . . . . . . . 6823 1 12 HCCONNH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz . . . . . . . . . . . . . . . . 6823 1 13 HNHA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz . . . . . . . . . . . . . . . . 6823 1 14 '13C15N CHIRP' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz . . . . . . . . . . . . . . . . 6823 1 15 '13C15N Filtered TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz . . . . . . . . . . . . . . . . 6823 1 16 CCONNH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz . . . . . . . . . . . . . . . . 6823 1 stop_ save_ save_1N15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1N15N_HSQC _NMR_spec_expt.Entry_ID 6823 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1N15N 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 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz _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_1N13C_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1N13C_HSQC _NMR_spec_expt.Entry_ID 6823 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1N13C 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 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz _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_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCA _NMR_spec_expt.Entry_ID 6823 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _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 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz _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_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 6823 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 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 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz _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_CBCACONNH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCACONNH _NMR_spec_expt.Entry_ID 6823 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCACONNH _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 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz _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_HBHACONNH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HBHACONNH _NMR_spec_expt.Entry_ID 6823 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HBHACONNH _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 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz _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_CCH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CCH-TOCSY _NMR_spec_expt.Entry_ID 6823 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CCH-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 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz _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_HCCH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-TOCSY _NMR_spec_expt.Entry_ID 6823 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 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 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz _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_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 6823 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 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 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz _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_15N-NOESY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N-NOESY-HSQC _NMR_spec_expt.Entry_ID 6823 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 15N-NOESY-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 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz _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_13C-NOESY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C-NOESY-HSQC _NMR_spec_expt.Entry_ID 6823 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 13C-NOESY-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 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz _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_HCCONNH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCONNH _NMR_spec_expt.Entry_ID 6823 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HCCONNH _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 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz _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_HNHA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNHA _NMR_spec_expt.Entry_ID 6823 _NMR_spec_expt.ID 13 _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 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz _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_13C15N_CHIRP _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C15N_CHIRP _NMR_spec_expt.Entry_ID 6823 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '13C15N CHIRP' _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 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz _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_13C15N_Filtered_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C15N_Filtered_TOCSY _NMR_spec_expt.Entry_ID 6823 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '13C15N Filtered 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 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz _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_CCONNH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CCONNH _NMR_spec_expt.Entry_ID 6823 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name CCONNH _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 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz _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_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6823 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6823 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6823 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6823 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6823 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 '1N15N HSQC' 1 $sample_1 isotropic 6823 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $VNMR_6.1c . . 6823 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 PRO HA H 1 4.390 0.02 . 1 . . . . 2 PRO HA . 6823 1 2 . 1 1 2 2 PRO HB2 H 1 2.430 0.02 . 1 . . . . 2 PRO HB1 . 6823 1 3 . 1 1 2 2 PRO HB3 H 1 2.430 0.02 . 1 . . . . 2 PRO HB2 . 6823 1 4 . 1 1 2 2 PRO HG2 H 1 1.990 0.02 . 1 . . . . 2 PRO HG1 . 6823 1 5 . 1 1 2 2 PRO HG3 H 1 1.930 0.02 . 1 . . . . 2 PRO HG2 . 6823 1 6 . 1 1 2 2 PRO HD2 H 1 3.680 0.02 . 1 . . . . 2 PRO HD2 . 6823 1 7 . 1 1 2 2 PRO C C 13 177.265 0.3 . 1 . . . . 2 PRO C . 6823 1 8 . 1 1 2 2 PRO CA C 13 64.695 0.3 . 1 . . . . 2 PRO CA . 6823 1 9 . 1 1 2 2 PRO CB C 13 32.363 0.3 . 1 . . . . 2 PRO CB . 6823 1 10 . 1 1 2 2 PRO CG C 13 27.180 0.3 . 1 . . . . 2 PRO CG . 6823 1 11 . 1 1 2 2 PRO CD C 13 49.900 0.3 . 1 . . . . 2 PRO CD . 6823 1 12 . 1 1 3 3 ASN H H 1 8.899 0.02 . 1 . . . . 3 ASN HN . 6823 1 13 . 1 1 3 3 ASN HA H 1 5.005 0.02 . 1 . . . . 3 ASN HA . 6823 1 14 . 1 1 3 3 ASN HB2 H 1 2.730 0.02 . 2 . . . . 3 ASN HB1 . 6823 1 15 . 1 1 3 3 ASN HB3 H 1 3.040 0.02 . 2 . . . . 3 ASN HB2 . 6823 1 16 . 1 1 3 3 ASN HD21 H 1 7.170 0.02 . 2 . . . . 3 ASN HD21 . 6823 1 17 . 1 1 3 3 ASN HD22 H 1 8.490 0.02 . 2 . . . . 3 ASN HD22 . 6823 1 18 . 1 1 3 3 ASN C C 13 176.442 0.3 . 1 . . . . 3 ASN C . 6823 1 19 . 1 1 3 3 ASN CA C 13 53.216 0.3 . 1 . . . . 3 ASN CA . 6823 1 20 . 1 1 3 3 ASN CB C 13 38.761 0.3 . 1 . . . . 3 ASN CB . 6823 1 21 . 1 1 3 3 ASN N N 15 115.013 0.3 . 1 . . . . 3 ASN N . 6823 1 22 . 1 1 3 3 ASN ND2 N 15 116.080 0.3 . 1 . . . . 3 ASN ND2 . 6823 1 23 . 1 1 4 4 THR H H 1 7.641 0.02 . 1 . . . . 4 THR HN . 6823 1 24 . 1 1 4 4 THR HA H 1 3.692 0.02 . 1 . . . . 4 THR HA . 6823 1 25 . 1 1 4 4 THR HB H 1 4.100 0.02 . 1 . . . . 4 THR HB . 6823 1 26 . 1 1 4 4 THR HG21 H 1 1.240 0.02 . 1 . . . . 4 THR HG2 . 6823 1 27 . 1 1 4 4 THR HG22 H 1 1.240 0.02 . 1 . . . . 4 THR HG2 . 6823 1 28 . 1 1 4 4 THR HG23 H 1 1.240 0.02 . 1 . . . . 4 THR HG2 . 6823 1 29 . 1 1 4 4 THR C C 13 174.659 0.3 . 1 . . . . 4 THR C . 6823 1 30 . 1 1 4 4 THR CA C 13 67.653 0.3 . 1 . . . . 4 THR CA . 6823 1 31 . 1 1 4 4 THR CB C 13 68.703 0.3 . 1 . . . . 4 THR CB . 6823 1 32 . 1 1 4 4 THR CG2 C 13 21.980 0.3 . 1 . . . . 4 THR CG2 . 6823 1 33 . 1 1 4 4 THR N N 15 117.093 0.3 . 1 . . . . 4 THR N . 6823 1 34 . 1 1 5 5 GLU H H 1 8.637 0.02 . 1 . . . . 5 GLU HN . 6823 1 35 . 1 1 5 5 GLU HA H 1 3.925 0.02 . 1 . . . . 5 GLU HA . 6823 1 36 . 1 1 5 5 GLU HB2 H 1 2.050 0.02 . 1 . . . . 5 GLU HB1 . 6823 1 37 . 1 1 5 5 GLU HB3 H 1 2.050 0.02 . 1 . . . . 5 GLU HB2 . 6823 1 38 . 1 1 5 5 GLU HG2 H 1 2.330 0.02 . 2 . . . . 5 GLU HG1 . 6823 1 39 . 1 1 5 5 GLU HG3 H 1 2.250 0.02 . 2 . . . . 5 GLU HG2 . 6823 1 40 . 1 1 5 5 GLU C C 13 179.169 0.3 . 1 . . . . 5 GLU C . 6823 1 41 . 1 1 5 5 GLU CA C 13 60.338 0.3 . 1 . . . . 5 GLU CA . 6823 1 42 . 1 1 5 5 GLU CB C 13 28.970 0.3 . 1 . . . . 5 GLU CB . 6823 1 43 . 1 1 5 5 GLU CG C 13 36.350 0.3 . 1 . . . . 5 GLU CG . 6823 1 44 . 1 1 5 5 GLU N N 15 120.691 0.3 . 1 . . . . 5 GLU N . 6823 1 45 . 1 1 6 6 PHE H H 1 8.581 0.02 . 1 . . . . 6 PHE HN . 6823 1 46 . 1 1 6 6 PHE HA H 1 4.216 0.02 . 1 . . . . 6 PHE HA . 6823 1 47 . 1 1 6 6 PHE HB2 H 1 3.290 0.02 . 2 . . . . 6 PHE HB1 . 6823 1 48 . 1 1 6 6 PHE HB3 H 1 2.810 0.02 . 2 . . . . 6 PHE HB2 . 6823 1 49 . 1 1 6 6 PHE HD1 H 1 7.080 0.02 . 3 . . . . 6 PHE HD1 . 6823 1 50 . 1 1 6 6 PHE HD2 H 1 7.110 0.02 . 3 . . . . 6 PHE HD2 . 6823 1 51 . 1 1 6 6 PHE HE1 H 1 6.540 0.02 . 1 . . . . 6 PHE HE1 . 6823 1 52 . 1 1 6 6 PHE HE2 H 1 6.540 0.02 . 1 . . . . 6 PHE HE2 . 6823 1 53 . 1 1 6 6 PHE HZ H 1 6.220 0.02 . 1 . . . . 6 PHE HZ . 6823 1 54 . 1 1 6 6 PHE C C 13 177.391 0.3 . 1 . . . . 6 PHE C . 6823 1 55 . 1 1 6 6 PHE CA C 13 61.338 0.3 . 1 . . . . 6 PHE CA . 6823 1 56 . 1 1 6 6 PHE CB C 13 39.502 0.3 . 1 . . . . 6 PHE CB . 6823 1 57 . 1 1 6 6 PHE CD1 C 13 132.660 0.3 . 1 . . . . 6 PHE CD1 . 6823 1 58 . 1 1 6 6 PHE CD2 C 13 132.660 0.3 . 1 . . . . 6 PHE CD2 . 6823 1 59 . 1 1 6 6 PHE CE1 C 13 131.420 0.3 . 1 . . . . 6 PHE CE1 . 6823 1 60 . 1 1 6 6 PHE CE2 C 13 131.420 0.3 . 1 . . . . 6 PHE CE2 . 6823 1 61 . 1 1 6 6 PHE CZ C 13 128.930 0.3 . 1 . . . . 6 PHE CZ . 6823 1 62 . 1 1 6 6 PHE N N 15 121.332 0.3 . 1 . . . . 6 PHE N . 6823 1 63 . 1 1 7 7 ALA H H 1 8.322 0.02 . 1 . . . . 7 ALA HN . 6823 1 64 . 1 1 7 7 ALA HA H 1 3.702 0.02 . 1 . . . . 7 ALA HA . 6823 1 65 . 1 1 7 7 ALA HB1 H 1 1.360 0.02 . 1 . . . . 7 ALA HB . 6823 1 66 . 1 1 7 7 ALA HB2 H 1 1.360 0.02 . 1 . . . . 7 ALA HB . 6823 1 67 . 1 1 7 7 ALA HB3 H 1 1.360 0.02 . 1 . . . . 7 ALA HB . 6823 1 68 . 1 1 7 7 ALA C C 13 179.126 0.3 . 1 . . . . 7 ALA C . 6823 1 69 . 1 1 7 7 ALA CA C 13 55.676 0.3 . 1 . . . . 7 ALA CA . 6823 1 70 . 1 1 7 7 ALA CB C 13 18.989 0.3 . 1 . . . . 7 ALA CB . 6823 1 71 . 1 1 7 7 ALA N N 15 122.515 0.3 . 1 . . . . 7 ALA N . 6823 1 72 . 1 1 8 8 LEU H H 1 8.593 0.02 . 1 . . . . 8 LEU HN . 6823 1 73 . 1 1 8 8 LEU HA H 1 3.910 0.02 . 1 . . . . 8 LEU HA . 6823 1 74 . 1 1 8 8 LEU HB2 H 1 1.320 0.02 . 2 . . . . 8 LEU HB1 . 6823 1 75 . 1 1 8 8 LEU HB3 H 1 1.880 0.02 . 2 . . . . 8 LEU HB2 . 6823 1 76 . 1 1 8 8 LEU HG H 1 1.680 0.02 . 1 . . . . 8 LEU HG . 6823 1 77 . 1 1 8 8 LEU HD11 H 1 0.810 0.02 . 2 . . . . 8 LEU HD1 . 6823 1 78 . 1 1 8 8 LEU HD12 H 1 0.810 0.02 . 2 . . . . 8 LEU HD1 . 6823 1 79 . 1 1 8 8 LEU HD13 H 1 0.810 0.02 . 2 . . . . 8 LEU HD1 . 6823 1 80 . 1 1 8 8 LEU HD21 H 1 0.800 0.02 . 2 . . . . 8 LEU HD2 . 6823 1 81 . 1 1 8 8 LEU HD22 H 1 0.800 0.02 . 2 . . . . 8 LEU HD2 . 6823 1 82 . 1 1 8 8 LEU HD23 H 1 0.800 0.02 . 2 . . . . 8 LEU HD2 . 6823 1 83 . 1 1 8 8 LEU C C 13 179.620 0.3 . 1 . . . . 8 LEU C . 6823 1 84 . 1 1 8 8 LEU CA C 13 57.832 0.3 . 1 . . . . 8 LEU CA . 6823 1 85 . 1 1 8 8 LEU CB C 13 41.802 0.3 . 1 . . . . 8 LEU CB . 6823 1 86 . 1 1 8 8 LEU CG C 13 26.740 0.3 . 1 . . . . 8 LEU CG . 6823 1 87 . 1 1 8 8 LEU CD1 C 13 25.630 0.3 . 1 . . . . 8 LEU CD1 . 6823 1 88 . 1 1 8 8 LEU CD2 C 13 22.800 0.3 . 1 . . . . 8 LEU CD2 . 6823 1 89 . 1 1 8 8 LEU N N 15 117.060 0.3 . 1 . . . . 8 LEU N . 6823 1 90 . 1 1 9 9 SER H H 1 7.736 0.02 . 1 . . . . 9 SER HN . 6823 1 91 . 1 1 9 9 SER HA H 1 4.123 0.02 . 1 . . . . 9 SER HA . 6823 1 92 . 1 1 9 9 SER HB2 H 1 3.878 0.02 . 2 . . . . 9 SER HB1 . 6823 1 93 . 1 1 9 9 SER HB3 H 1 3.870 0.02 . 2 . . . . 9 SER HB2 . 6823 1 94 . 1 1 9 9 SER C C 13 176.978 0.3 . 1 . . . . 9 SER C . 6823 1 95 . 1 1 9 9 SER CA C 13 61.312 0.3 . 1 . . . . 9 SER CA . 6823 1 96 . 1 1 9 9 SER CB C 13 62.437 0.3 . 1 . . . . 9 SER CB . 6823 1 97 . 1 1 9 9 SER N N 15 115.667 0.3 . 1 . . . . 9 SER N . 6823 1 98 . 1 1 10 10 LEU H H 1 7.634 0.02 . 1 . . . . 10 LEU HN . 6823 1 99 . 1 1 10 10 LEU HA H 1 3.780 0.02 . 1 . . . . 10 LEU HA . 6823 1 100 . 1 1 10 10 LEU HB2 H 1 1.740 0.02 . 2 . . . . 10 LEU HB1 . 6823 1 101 . 1 1 10 10 LEU HB3 H 1 1.130 0.02 . 2 . . . . 10 LEU HB2 . 6823 1 102 . 1 1 10 10 LEU HG H 1 0.850 0.02 . 1 . . . . 10 LEU HG . 6823 1 103 . 1 1 10 10 LEU HD11 H 1 0.460 0.02 . 2 . . . . 10 LEU HD1 . 6823 1 104 . 1 1 10 10 LEU HD12 H 1 0.460 0.02 . 2 . . . . 10 LEU HD1 . 6823 1 105 . 1 1 10 10 LEU HD13 H 1 0.460 0.02 . 2 . . . . 10 LEU HD1 . 6823 1 106 . 1 1 10 10 LEU HD21 H 1 0.590 0.02 . 2 . . . . 10 LEU HD2 . 6823 1 107 . 1 1 10 10 LEU HD22 H 1 0.590 0.02 . 2 . . . . 10 LEU HD2 . 6823 1 108 . 1 1 10 10 LEU HD23 H 1 0.590 0.02 . 2 . . . . 10 LEU HD2 . 6823 1 109 . 1 1 10 10 LEU C C 13 176.260 0.3 . 1 . . . . 10 LEU C . 6823 1 110 . 1 1 10 10 LEU CA C 13 57.975 0.3 . 1 . . . . 10 LEU CA . 6823 1 111 . 1 1 10 10 LEU CB C 13 41.842 0.3 . 1 . . . . 10 LEU CB . 6823 1 112 . 1 1 10 10 LEU CG C 13 26.020 0.3 . 1 . . . . 10 LEU CG . 6823 1 113 . 1 1 10 10 LEU CD1 C 13 23.240 0.3 . 1 . . . . 10 LEU CD1 . 6823 1 114 . 1 1 10 10 LEU CD2 C 13 26.020 0.3 . 1 . . . . 10 LEU CD2 . 6823 1 115 . 1 1 10 10 LEU N N 15 121.150 0.3 . 1 . . . . 10 LEU N . 6823 1 116 . 1 1 11 11 LEU H H 1 8.129 0.02 . 1 . . . . 11 LEU HN . 6823 1 117 . 1 1 11 11 LEU HA H 1 3.840 0.02 . 1 . . . . 11 LEU HA . 6823 1 118 . 1 1 11 11 LEU HB2 H 1 1.640 0.02 . 2 . . . . 11 LEU HB2 . 6823 1 119 . 1 1 11 11 LEU HG H 1 1.350 0.02 . 1 . . . . 11 LEU HG . 6823 1 120 . 1 1 11 11 LEU HD11 H 1 0.620 0.02 . 2 . . . . 11 LEU HD1 . 6823 1 121 . 1 1 11 11 LEU HD12 H 1 0.620 0.02 . 2 . . . . 11 LEU HD1 . 6823 1 122 . 1 1 11 11 LEU HD13 H 1 0.620 0.02 . 2 . . . . 11 LEU HD1 . 6823 1 123 . 1 1 11 11 LEU HD21 H 1 0.720 0.02 . 2 . . . . 11 LEU HD2 . 6823 1 124 . 1 1 11 11 LEU HD22 H 1 0.720 0.02 . 2 . . . . 11 LEU HD2 . 6823 1 125 . 1 1 11 11 LEU HD23 H 1 0.720 0.02 . 2 . . . . 11 LEU HD2 . 6823 1 126 . 1 1 11 11 LEU C C 13 177.638 0.3 . 1 . . . . 11 LEU C . 6823 1 127 . 1 1 11 11 LEU CA C 13 57.960 0.3 . 1 . . . . 11 LEU CA . 6823 1 128 . 1 1 11 11 LEU CB C 13 41.687 0.3 . 1 . . . . 11 LEU CB . 6823 1 129 . 1 1 11 11 LEU CG C 13 27.150 0.3 . 1 . . . . 11 LEU CG . 6823 1 130 . 1 1 11 11 LEU CD1 C 13 23.390 0.3 . 1 . . . . 11 LEU CD1 . 6823 1 131 . 1 1 11 11 LEU CD2 C 13 24.460 0.3 . 1 . . . . 11 LEU CD2 . 6823 1 132 . 1 1 11 11 LEU N N 15 120.332 0.3 . 1 . . . . 11 LEU N . 6823 1 133 . 1 1 12 12 ARG H H 1 7.748 0.02 . 1 . . . . 12 ARG HN . 6823 1 134 . 1 1 12 12 ARG HA H 1 4.127 0.02 . 1 . . . . 12 ARG HA . 6823 1 135 . 1 1 12 12 ARG HB2 H 1 1.940 0.02 . 2 . . . . 12 ARG HB1 . 6823 1 136 . 1 1 12 12 ARG HB3 H 1 1.860 0.02 . 2 . . . . 12 ARG HB2 . 6823 1 137 . 1 1 12 12 ARG HG2 H 1 1.750 0.02 . 2 . . . . 12 ARG HG1 . 6823 1 138 . 1 1 12 12 ARG HG3 H 1 1.670 0.02 . 2 . . . . 12 ARG HG2 . 6823 1 139 . 1 1 12 12 ARG HD2 H 1 3.170 0.02 . 1 . . . . 12 ARG HD1 . 6823 1 140 . 1 1 12 12 ARG HD3 H 1 3.170 0.02 . 1 . . . . 12 ARG HD2 . 6823 1 141 . 1 1 12 12 ARG C C 13 178.509 0.3 . 1 . . . . 12 ARG C . 6823 1 142 . 1 1 12 12 ARG CA C 13 58.478 0.3 . 1 . . . . 12 ARG CA . 6823 1 143 . 1 1 12 12 ARG CB C 13 31.121 0.3 . 1 . . . . 12 ARG CB . 6823 1 144 . 1 1 12 12 ARG CG C 13 27.750 0.3 . 1 . . . . 12 ARG CG . 6823 1 145 . 1 1 12 12 ARG CD C 13 43.210 0.3 . 1 . . . . 12 ARG CD . 6823 1 146 . 1 1 12 12 ARG N N 15 114.657 0.3 . 1 . . . . 12 ARG N . 6823 1 147 . 1 1 13 13 LYS H H 1 7.660 0.02 . 1 . . . . 13 LYS HN . 6823 1 148 . 1 1 13 13 LYS HA H 1 4.689 0.02 . 1 . . . . 13 LYS HA . 6823 1 149 . 1 1 13 13 LYS HB2 H 1 1.860 0.02 . 2 . . . . 13 LYS HB1 . 6823 1 150 . 1 1 13 13 LYS HB3 H 1 1.820 0.02 . 2 . . . . 13 LYS HB2 . 6823 1 151 . 1 1 13 13 LYS HG2 H 1 1.470 0.02 . 2 . . . . 13 LYS HG1 . 6823 1 152 . 1 1 13 13 LYS HG3 H 1 1.420 0.02 . 2 . . . . 13 LYS HG2 . 6823 1 153 . 1 1 13 13 LYS HD2 H 1 1.470 0.02 . 2 . . . . 13 LYS HD1 . 6823 1 154 . 1 1 13 13 LYS HD3 H 1 1.300 0.02 . 2 . . . . 13 LYS HD2 . 6823 1 155 . 1 1 13 13 LYS HE2 H 1 2.610 0.02 . 2 . . . . 13 LYS HE1 . 6823 1 156 . 1 1 13 13 LYS HE3 H 1 2.970 0.02 . 2 . . . . 13 LYS HE2 . 6823 1 157 . 1 1 13 13 LYS HZ1 H 1 9.480 0.02 . 1 . . . . 13 LYS HZ . 6823 1 158 . 1 1 13 13 LYS HZ2 H 1 9.480 0.02 . 1 . . . . 13 LYS HZ . 6823 1 159 . 1 1 13 13 LYS HZ3 H 1 9.480 0.02 . 1 . . . . 13 LYS HZ . 6823 1 160 . 1 1 13 13 LYS C C 13 177.950 0.3 . 1 . . . . 13 LYS C . 6823 1 161 . 1 1 13 13 LYS CA C 13 57.343 0.3 . 1 . . . . 13 LYS CA . 6823 1 162 . 1 1 13 13 LYS CB C 13 35.574 0.3 . 1 . . . . 13 LYS CB . 6823 1 163 . 1 1 13 13 LYS CG C 13 25.750 0.3 . 1 . . . . 13 LYS CG . 6823 1 164 . 1 1 13 13 LYS CD C 13 28.930 0.3 . 1 . . . . 13 LYS CD . 6823 1 165 . 1 1 13 13 LYS CE C 13 41.980 0.3 . 1 . . . . 13 LYS CE . 6823 1 166 . 1 1 13 13 LYS N N 15 113.879 0.3 . 1 . . . . 13 LYS N . 6823 1 167 . 1 1 14 14 ASN H H 1 8.673 0.02 . 1 . . . . 14 ASN HN . 6823 1 168 . 1 1 14 14 ASN HA H 1 5.100 0.02 . 1 . . . . 14 ASN HA . 6823 1 169 . 1 1 14 14 ASN HB2 H 1 2.080 0.02 . 2 . . . . 14 ASN HB1 . 6823 1 170 . 1 1 14 14 ASN HB3 H 1 3.220 0.02 . 2 . . . . 14 ASN HB2 . 6823 1 171 . 1 1 14 14 ASN HD21 H 1 8.030 0.02 . 2 . . . . 14 ASN HD21 . 6823 1 172 . 1 1 14 14 ASN HD22 H 1 7.600 0.02 . 2 . . . . 14 ASN HD22 . 6823 1 173 . 1 1 14 14 ASN C C 13 172.680 0.3 . 1 . . . . 14 ASN C . 6823 1 174 . 1 1 14 14 ASN CA C 13 56.104 0.3 . 1 . . . . 14 ASN CA . 6823 1 175 . 1 1 14 14 ASN CB C 13 43.475 0.3 . 1 . . . . 14 ASN CB . 6823 1 176 . 1 1 14 14 ASN CG C 13 177.590 0.3 . 1 . . . . 14 ASN CG . 6823 1 177 . 1 1 14 14 ASN N N 15 116.702 0.3 . 1 . . . . 14 ASN N . 6823 1 178 . 1 1 14 14 ASN ND2 N 15 112.990 0.3 . 1 . . . . 14 ASN ND2 . 6823 1 179 . 1 1 15 15 ILE H H 1 7.337 0.02 . 1 . . . . 15 ILE HN . 6823 1 180 . 1 1 15 15 ILE HA H 1 5.100 0.02 . 1 . . . . 15 ILE HA . 6823 1 181 . 1 1 15 15 ILE HB H 1 1.860 0.02 . 1 . . . . 15 ILE HB . 6823 1 182 . 1 1 15 15 ILE HG12 H 1 0.980 0.02 . 2 . . . . 15 ILE HG11 . 6823 1 183 . 1 1 15 15 ILE HG13 H 1 1.370 0.02 . 2 . . . . 15 ILE HG12 . 6823 1 184 . 1 1 15 15 ILE HG21 H 1 1.050 0.02 . 1 . . . . 15 ILE HG21 . 6823 1 185 . 1 1 15 15 ILE HG22 H 1 1.050 0.02 . 1 . . . . 15 ILE HG21 . 6823 1 186 . 1 1 15 15 ILE HG23 H 1 1.050 0.02 . 1 . . . . 15 ILE HG21 . 6823 1 187 . 1 1 15 15 ILE HD11 H 1 0.690 0.02 . 1 . . . . 15 ILE HD11 . 6823 1 188 . 1 1 15 15 ILE HD12 H 1 0.690 0.02 . 1 . . . . 15 ILE HD11 . 6823 1 189 . 1 1 15 15 ILE HD13 H 1 0.690 0.02 . 1 . . . . 15 ILE HD11 . 6823 1 190 . 1 1 15 15 ILE C C 13 174.415 0.3 . 1 . . . . 15 ILE C . 6823 1 191 . 1 1 15 15 ILE CA C 13 60.828 0.3 . 1 . . . . 15 ILE CA . 6823 1 192 . 1 1 15 15 ILE CB C 13 39.035 0.3 . 1 . . . . 15 ILE CB . 6823 1 193 . 1 1 15 15 ILE CG1 C 13 29.180 0.3 . 1 . . . . 15 ILE CG1 . 6823 1 194 . 1 1 15 15 ILE CG2 C 13 18.780 0.3 . 1 . . . . 15 ILE CG2 . 6823 1 195 . 1 1 15 15 ILE CD1 C 13 14.310 0.3 . 1 . . . . 15 ILE CD1 . 6823 1 196 . 1 1 15 15 ILE N N 15 121.084 0.3 . 1 . . . . 15 ILE N . 6823 1 197 . 1 1 16 16 MET H H 1 8.731 0.02 . 1 . . . . 16 MET HN . 6823 1 198 . 1 1 16 16 MET HA H 1 5.036 0.02 . 1 . . . . 16 MET HA . 6823 1 199 . 1 1 16 16 MET HB2 H 1 1.880 0.02 . 2 . . . . 16 MET HB1 . 6823 1 200 . 1 1 16 16 MET HB3 H 1 2.150 0.02 . 2 . . . . 16 MET HB2 . 6823 1 201 . 1 1 16 16 MET HG2 H 1 2.290 0.02 . 2 . . . . 16 MET HG1 . 6823 1 202 . 1 1 16 16 MET HG3 H 1 2.430 0.02 . 2 . . . . 16 MET HG2 . 6823 1 203 . 1 1 16 16 MET HE1 H 1 1.690 0.02 . 1 . . . . 16 MET HE . 6823 1 204 . 1 1 16 16 MET HE2 H 1 1.690 0.02 . 1 . . . . 16 MET HE . 6823 1 205 . 1 1 16 16 MET HE3 H 1 1.690 0.02 . 1 . . . . 16 MET HE . 6823 1 206 . 1 1 16 16 MET C C 13 174.186 0.3 . 1 . . . . 16 MET C . 6823 1 207 . 1 1 16 16 MET CA C 13 53.727 0.3 . 1 . . . . 16 MET CA . 6823 1 208 . 1 1 16 16 MET CB C 13 38.110 0.3 . 1 . . . . 16 MET CB . 6823 1 209 . 1 1 16 16 MET CG C 13 30.890 0.3 . 1 . . . . 16 MET CG . 6823 1 210 . 1 1 16 16 MET CE C 13 18.800 0.3 . 1 . . . . 16 MET CE . 6823 1 211 . 1 1 16 16 MET N N 15 124.399 0.3 . 1 . . . . 16 MET N . 6823 1 212 . 1 1 17 17 THR H H 1 8.892 0.02 . 1 . . . . 17 THR HN . 6823 1 213 . 1 1 17 17 THR HA H 1 5.077 0.02 . 1 . . . . 17 THR HA . 6823 1 214 . 1 1 17 17 THR HB H 1 3.900 0.02 . 1 . . . . 17 THR HB . 6823 1 215 . 1 1 17 17 THR HG21 H 1 1.090 0.02 . 1 . . . . 17 THR HG2 . 6823 1 216 . 1 1 17 17 THR HG22 H 1 1.090 0.02 . 1 . . . . 17 THR HG2 . 6823 1 217 . 1 1 17 17 THR HG23 H 1 1.090 0.02 . 1 . . . . 17 THR HG2 . 6823 1 218 . 1 1 17 17 THR C C 13 174.903 0.3 . 1 . . . . 17 THR C . 6823 1 219 . 1 1 17 17 THR CA C 13 62.935 0.3 . 1 . . . . 17 THR CA . 6823 1 220 . 1 1 17 17 THR CB C 13 69.629 0.3 . 1 . . . . 17 THR CB . 6823 1 221 . 1 1 17 17 THR CG2 C 13 23.230 0.3 . 1 . . . . 17 THR CG2 . 6823 1 222 . 1 1 17 17 THR N N 15 118.464 0.3 . 1 . . . . 17 THR N . 6823 1 223 . 1 1 18 18 ILE H H 1 9.680 0.02 . 1 . . . . 18 ILE HN . 6823 1 224 . 1 1 18 18 ILE HA H 1 5.533 0.02 . 1 . . . . 18 ILE HA . 6823 1 225 . 1 1 18 18 ILE HB H 1 1.760 0.02 . 1 . . . . 18 ILE HB . 6823 1 226 . 1 1 18 18 ILE HG12 H 1 1.480 0.02 . 2 . . . . 18 ILE HG11 . 6823 1 227 . 1 1 18 18 ILE HG13 H 1 1.200 0.02 . 2 . . . . 18 ILE HG12 . 6823 1 228 . 1 1 18 18 ILE HG21 H 1 0.780 0.02 . 1 . . . . 18 ILE HG21 . 6823 1 229 . 1 1 18 18 ILE HG22 H 1 0.780 0.02 . 1 . . . . 18 ILE HG21 . 6823 1 230 . 1 1 18 18 ILE HG23 H 1 0.780 0.02 . 1 . . . . 18 ILE HG21 . 6823 1 231 . 1 1 18 18 ILE HD11 H 1 0.820 0.02 . 1 . . . . 18 ILE HD11 . 6823 1 232 . 1 1 18 18 ILE HD12 H 1 0.820 0.02 . 1 . . . . 18 ILE HD11 . 6823 1 233 . 1 1 18 18 ILE HD13 H 1 0.820 0.02 . 1 . . . . 18 ILE HD11 . 6823 1 234 . 1 1 18 18 ILE C C 13 174.903 0.3 . 1 . . . . 18 ILE C . 6823 1 235 . 1 1 18 18 ILE CA C 13 58.669 0.3 . 1 . . . . 18 ILE CA . 6823 1 236 . 1 1 18 18 ILE CB C 13 39.515 0.3 . 1 . . . . 18 ILE CB . 6823 1 237 . 1 1 18 18 ILE CG1 C 13 27.830 0.3 . 1 . . . . 18 ILE CG1 . 6823 1 238 . 1 1 18 18 ILE CG2 C 13 16.520 0.3 . 1 . . . . 18 ILE CG2 . 6823 1 239 . 1 1 18 18 ILE CD1 C 13 12.810 0.3 . 1 . . . . 18 ILE CD1 . 6823 1 240 . 1 1 18 18 ILE N N 15 130.622 0.3 . 1 . . . . 18 ILE N . 6823 1 241 . 1 1 19 19 THR H H 1 9.408 0.02 . 1 . . . . 19 THR HN . 6823 1 242 . 1 1 19 19 THR HA H 1 5.474 0.02 . 1 . . . . 19 THR HA . 6823 1 243 . 1 1 19 19 THR HB H 1 3.920 0.02 . 1 . . . . 19 THR HB . 6823 1 244 . 1 1 19 19 THR HG21 H 1 1.350 0.02 . 1 . . . . 19 THR HG2 . 6823 1 245 . 1 1 19 19 THR HG22 H 1 1.350 0.02 . 1 . . . . 19 THR HG2 . 6823 1 246 . 1 1 19 19 THR HG23 H 1 1.350 0.02 . 1 . . . . 19 THR HG2 . 6823 1 247 . 1 1 19 19 THR C C 13 175.895 0.3 . 1 . . . . 19 THR C . 6823 1 248 . 1 1 19 19 THR CA C 13 61.749 0.3 . 1 . . . . 19 THR CA . 6823 1 249 . 1 1 19 19 THR CB C 13 69.469 0.3 . 1 . . . . 19 THR CB . 6823 1 250 . 1 1 19 19 THR CG2 C 13 21.740 0.3 . 1 . . . . 19 THR CG2 . 6823 1 251 . 1 1 19 19 THR N N 15 124.352 0.3 . 1 . . . . 19 THR N . 6823 1 252 . 1 1 20 20 THR H H 1 9.333 0.02 . 1 . . . . 20 THR HN . 6823 1 253 . 1 1 20 20 THR HA H 1 5.345 0.02 . 1 . . . . 20 THR HA . 6823 1 254 . 1 1 20 20 THR HB H 1 4.750 0.02 . 1 . . . . 20 THR HB . 6823 1 255 . 1 1 20 20 THR HG21 H 1 1.000 0.02 . 1 . . . . 20 THR HG2 . 6823 1 256 . 1 1 20 20 THR HG22 H 1 1.000 0.02 . 1 . . . . 20 THR HG2 . 6823 1 257 . 1 1 20 20 THR HG23 H 1 1.000 0.02 . 1 . . . . 20 THR HG2 . 6823 1 258 . 1 1 20 20 THR CA C 13 59.234 0.3 . 1 . . . . 20 THR CA . 6823 1 259 . 1 1 20 20 THR CB C 13 71.335 0.3 . 1 . . . . 20 THR CB . 6823 1 260 . 1 1 20 20 THR CG2 C 13 21.640 0.3 . 1 . . . . 20 THR CG2 . 6823 1 261 . 1 1 20 20 THR N N 15 119.550 0.3 . 1 . . . . 20 THR N . 6823 1 262 . 1 1 21 21 SER HA H 1 4.370 0.02 . 1 . . . . 21 SER HA . 6823 1 263 . 1 1 21 21 SER HB2 H 1 4.070 0.02 . 1 . . . . 21 SER HB1 . 6823 1 264 . 1 1 21 21 SER HB3 H 1 4.070 0.02 . 1 . . . . 21 SER HB2 . 6823 1 265 . 1 1 21 21 SER C C 13 175.376 0.3 . 1 . . . . 21 SER C . 6823 1 266 . 1 1 21 21 SER CA C 13 61.638 0.3 . 1 . . . . 21 SER CA . 6823 1 267 . 1 1 21 21 SER CB C 13 62.283 0.3 . 1 . . . . 21 SER CB . 6823 1 268 . 1 1 22 22 LYS H H 1 8.341 0.02 . 1 . . . . 22 LYS HN . 6823 1 269 . 1 1 22 22 LYS HA H 1 4.558 0.02 . 1 . . . . 22 LYS HA . 6823 1 270 . 1 1 22 22 LYS HB2 H 1 2.270 0.02 . 2 . . . . 22 LYS HB1 . 6823 1 271 . 1 1 22 22 LYS HB3 H 1 1.840 0.02 . 2 . . . . 22 LYS HB2 . 6823 1 272 . 1 1 22 22 LYS HG2 H 1 1.450 0.02 . 2 . . . . 22 LYS HG1 . 6823 1 273 . 1 1 22 22 LYS HG3 H 1 1.620 0.02 . 2 . . . . 22 LYS HG2 . 6823 1 274 . 1 1 22 22 LYS HD2 H 1 1.750 0.02 . 2 . . . . 22 LYS HD1 . 6823 1 275 . 1 1 22 22 LYS HD3 H 1 1.680 0.02 . 2 . . . . 22 LYS HD2 . 6823 1 276 . 1 1 22 22 LYS HE2 H 1 2.990 0.02 . 1 . . . . 22 LYS HE1 . 6823 1 277 . 1 1 22 22 LYS HE3 H 1 2.990 0.02 . 1 . . . . 22 LYS HE2 . 6823 1 278 . 1 1 22 22 LYS HZ1 H 1 7.070 0.02 . 1 . . . . 22 LYS HZ . 6823 1 279 . 1 1 22 22 LYS HZ2 H 1 7.070 0.02 . 1 . . . . 22 LYS HZ . 6823 1 280 . 1 1 22 22 LYS HZ3 H 1 7.070 0.02 . 1 . . . . 22 LYS HZ . 6823 1 281 . 1 1 22 22 LYS C C 13 175.935 0.3 . 1 . . . . 22 LYS C . 6823 1 282 . 1 1 22 22 LYS CA C 13 54.524 0.3 . 1 . . . . 22 LYS CA . 6823 1 283 . 1 1 22 22 LYS CB C 13 32.517 0.3 . 1 . . . . 22 LYS CB . 6823 1 284 . 1 1 22 22 LYS CG C 13 24.600 0.3 . 1 . . . . 22 LYS CG . 6823 1 285 . 1 1 22 22 LYS CD C 13 27.660 0.3 . 1 . . . . 22 LYS CD . 6823 1 286 . 1 1 22 22 LYS CE C 13 42.210 0.3 . 1 . . . . 22 LYS CE . 6823 1 287 . 1 1 22 22 LYS N N 15 118.314 0.3 . 1 . . . . 22 LYS N . 6823 1 288 . 1 1 23 23 GLY H H 1 7.609 0.02 . 1 . . . . 23 GLY HN . 6823 1 289 . 1 1 23 23 GLY HA2 H 1 4.430 0.02 . 2 . . . . 23 GLY HA1 . 6823 1 290 . 1 1 23 23 GLY HA3 H 1 3.800 0.02 . 2 . . . . 23 GLY HA2 . 6823 1 291 . 1 1 23 23 GLY C C 13 171.029 0.3 . 1 . . . . 23 GLY C . 6823 1 292 . 1 1 23 23 GLY CA C 13 44.171 0.3 . 1 . . . . 23 GLY CA . 6823 1 293 . 1 1 23 23 GLY N N 15 107.390 0.3 . 1 . . . . 23 GLY N . 6823 1 294 . 1 1 24 24 GLU H H 1 8.262 0.02 . 1 . . . . 24 GLU HN . 6823 1 295 . 1 1 24 24 GLU HA H 1 4.920 0.02 . 1 . . . . 24 GLU HA . 6823 1 296 . 1 1 24 24 GLU HB2 H 1 1.620 0.02 . 2 . . . . 24 GLU HB1 . 6823 1 297 . 1 1 24 24 GLU HB3 H 1 1.820 0.02 . 2 . . . . 24 GLU HB2 . 6823 1 298 . 1 1 24 24 GLU HG2 H 1 2.280 0.02 . 2 . . . . 24 GLU HG1 . 6823 1 299 . 1 1 24 24 GLU HG3 H 1 2.230 0.02 . 2 . . . . 24 GLU HG2 . 6823 1 300 . 1 1 24 24 GLU C C 13 175.984 0.3 . 1 . . . . 24 GLU C . 6823 1 301 . 1 1 24 24 GLU CA C 13 55.896 0.3 . 1 . . . . 24 GLU CA . 6823 1 302 . 1 1 24 24 GLU CB C 13 31.582 0.3 . 1 . . . . 24 GLU CB . 6823 1 303 . 1 1 24 24 GLU CG C 13 36.390 0.3 . 1 . . . . 24 GLU CG . 6823 1 304 . 1 1 24 24 GLU N N 15 117.480 0.3 . 1 . . . . 24 GLU N . 6823 1 305 . 1 1 25 25 PHE H H 1 9.446 0.02 . 1 . . . . 25 PHE HN . 6823 1 306 . 1 1 25 25 PHE HA H 1 4.501 0.02 . 1 . . . . 25 PHE HA . 6823 1 307 . 1 1 25 25 PHE HB2 H 1 2.980 0.02 . 2 . . . . 25 PHE HB1 . 6823 1 308 . 1 1 25 25 PHE HB3 H 1 2.650 0.02 . 2 . . . . 25 PHE HB2 . 6823 1 309 . 1 1 25 25 PHE HD1 H 1 7.240 0.02 . 1 . . . . 25 PHE HD1 . 6823 1 310 . 1 1 25 25 PHE HD2 H 1 7.240 0.02 . 1 . . . . 25 PHE HD2 . 6823 1 311 . 1 1 25 25 PHE HE1 H 1 7.110 0.02 . 1 . . . . 25 PHE HE1 . 6823 1 312 . 1 1 25 25 PHE HE2 H 1 7.110 0.02 . 1 . . . . 25 PHE HE2 . 6823 1 313 . 1 1 25 25 PHE HZ H 1 7.540 0.02 . 1 . . . . 25 PHE HZ . 6823 1 314 . 1 1 25 25 PHE C C 13 175.595 0.3 . 1 . . . . 25 PHE C . 6823 1 315 . 1 1 25 25 PHE CA C 13 56.840 0.3 . 1 . . . . 25 PHE CA . 6823 1 316 . 1 1 25 25 PHE CB C 13 42.790 0.3 . 1 . . . . 25 PHE CB . 6823 1 317 . 1 1 25 25 PHE CD1 C 13 130.790 0.3 . 1 . . . . 25 PHE CD1 . 6823 1 318 . 1 1 25 25 PHE CD2 C 13 130.790 0.3 . 1 . . . . 25 PHE CD2 . 6823 1 319 . 1 1 25 25 PHE CE1 C 13 130.790 0.3 . 1 . . . . 25 PHE CE1 . 6823 1 320 . 1 1 25 25 PHE CE2 C 13 130.790 0.3 . 1 . . . . 25 PHE CE2 . 6823 1 321 . 1 1 25 25 PHE CZ C 13 132.030 0.3 . 1 . . . . 25 PHE CZ . 6823 1 322 . 1 1 25 25 PHE N N 15 119.580 0.3 . 1 . . . . 25 PHE N . 6823 1 323 . 1 1 26 26 THR H H 1 8.675 0.02 . 1 . . . . 26 THR HN . 6823 1 324 . 1 1 26 26 THR HA H 1 4.630 0.02 . 1 . . . . 26 THR HA . 6823 1 325 . 1 1 26 26 THR HB H 1 3.800 0.02 . 1 . . . . 26 THR HB . 6823 1 326 . 1 1 26 26 THR HG21 H 1 1.360 0.02 . 1 . . . . 26 THR HG2 . 6823 1 327 . 1 1 26 26 THR HG22 H 1 1.360 0.02 . 1 . . . . 26 THR HG2 . 6823 1 328 . 1 1 26 26 THR HG23 H 1 1.360 0.02 . 1 . . . . 26 THR HG2 . 6823 1 329 . 1 1 26 26 THR C C 13 172.275 0.3 . 1 . . . . 26 THR C . 6823 1 330 . 1 1 26 26 THR CA C 13 64.946 0.3 . 1 . . . . 26 THR CA . 6823 1 331 . 1 1 26 26 THR CB C 13 69.839 0.3 . 1 . . . . 26 THR CB . 6823 1 332 . 1 1 26 26 THR CG2 C 13 22.780 0.3 . 1 . . . . 26 THR CG2 . 6823 1 333 . 1 1 26 26 THR N N 15 120.098 0.3 . 1 . . . . 26 THR N . 6823 1 334 . 1 1 27 27 GLY H H 1 9.283 0.02 . 1 . . . . 27 GLY HN . 6823 1 335 . 1 1 27 27 GLY HA2 H 1 5.012 0.02 . 2 . . . . 27 GLY HA1 . 6823 1 336 . 1 1 27 27 GLY HA3 H 1 3.220 0.02 . 2 . . . . 27 GLY HA2 . 6823 1 337 . 1 1 27 27 GLY C C 13 171.170 0.3 . 1 . . . . 27 GLY C . 6823 1 338 . 1 1 27 27 GLY CA C 13 44.239 0.3 . 1 . . . . 27 GLY CA . 6823 1 339 . 1 1 27 27 GLY N N 15 111.423 0.3 . 1 . . . . 27 GLY N . 6823 1 340 . 1 1 28 28 LEU H H 1 7.364 0.02 . 1 . . . . 28 LEU HN . 6823 1 341 . 1 1 28 28 LEU HA H 1 4.959 0.02 . 1 . . . . 28 LEU HA . 6823 1 342 . 1 1 28 28 LEU HB2 H 1 1.740 0.02 . 2 . . . . 28 LEU HB1 . 6823 1 343 . 1 1 28 28 LEU HB3 H 1 1.220 0.02 . 2 . . . . 28 LEU HB2 . 6823 1 344 . 1 1 28 28 LEU HG H 1 1.400 0.02 . 1 . . . . 28 LEU HG . 6823 1 345 . 1 1 28 28 LEU HD11 H 1 0.800 0.02 . 2 . . . . 28 LEU HD1 . 6823 1 346 . 1 1 28 28 LEU HD12 H 1 0.800 0.02 . 2 . . . . 28 LEU HD1 . 6823 1 347 . 1 1 28 28 LEU HD13 H 1 0.800 0.02 . 2 . . . . 28 LEU HD1 . 6823 1 348 . 1 1 28 28 LEU HD21 H 1 0.660 0.02 . 2 . . . . 28 LEU HD2 . 6823 1 349 . 1 1 28 28 LEU HD22 H 1 0.660 0.02 . 2 . . . . 28 LEU HD2 . 6823 1 350 . 1 1 28 28 LEU HD23 H 1 0.660 0.02 . 2 . . . . 28 LEU HD2 . 6823 1 351 . 1 1 28 28 LEU C C 13 175.345 0.3 . 1 . . . . 28 LEU C . 6823 1 352 . 1 1 28 28 LEU CA C 13 52.913 0.3 . 1 . . . . 28 LEU CA . 6823 1 353 . 1 1 28 28 LEU CB C 13 43.686 0.3 . 1 . . . . 28 LEU CB . 6823 1 354 . 1 1 28 28 LEU CG C 13 26.510 0.3 . 1 . . . . 28 LEU CG . 6823 1 355 . 1 1 28 28 LEU CD1 C 13 22.650 0.3 . 1 . . . . 28 LEU CD1 . 6823 1 356 . 1 1 28 28 LEU CD2 C 13 26.340 0.3 . 1 . . . . 28 LEU CD2 . 6823 1 357 . 1 1 28 28 LEU N N 15 121.881 0.3 . 1 . . . . 28 LEU N . 6823 1 358 . 1 1 29 29 GLY H H 1 9.225 0.02 . 1 . . . . 29 GLY HN . 6823 1 359 . 1 1 29 29 GLY HA2 H 1 1.150 0.02 . 2 . . . . 29 GLY HA1 . 6823 1 360 . 1 1 29 29 GLY HA3 H 1 3.140 0.02 . 2 . . . . 29 GLY HA2 . 6823 1 361 . 1 1 29 29 GLY C C 13 172.183 0.3 . 1 . . . . 29 GLY C . 6823 1 362 . 1 1 29 29 GLY CA C 13 43.297 0.3 . 1 . . . . 29 GLY CA . 6823 1 363 . 1 1 29 29 GLY N N 15 116.796 0.3 . 1 . . . . 29 GLY N . 6823 1 364 . 1 1 30 30 ILE H H 1 8.800 0.02 . 1 . . . . 30 ILE HN . 6823 1 365 . 1 1 30 30 ILE HA H 1 3.880 0.02 . 1 . . . . 30 ILE HA . 6823 1 366 . 1 1 30 30 ILE HB H 1 1.560 0.02 . 1 . . . . 30 ILE HB . 6823 1 367 . 1 1 30 30 ILE HG12 H 1 1.420 0.02 . 2 . . . . 30 ILE HG11 . 6823 1 368 . 1 1 30 30 ILE HG13 H 1 0.760 0.02 . 2 . . . . 30 ILE HG12 . 6823 1 369 . 1 1 30 30 ILE HG21 H 1 0.150 0.02 . 1 . . . . 30 ILE HG21 . 6823 1 370 . 1 1 30 30 ILE HG22 H 1 0.150 0.02 . 1 . . . . 30 ILE HG21 . 6823 1 371 . 1 1 30 30 ILE HG23 H 1 0.150 0.02 . 1 . . . . 30 ILE HG21 . 6823 1 372 . 1 1 30 30 ILE HD11 H 1 0.200 0.02 . 1 . . . . 30 ILE HD11 . 6823 1 373 . 1 1 30 30 ILE HD12 H 1 0.200 0.02 . 1 . . . . 30 ILE HD11 . 6823 1 374 . 1 1 30 30 ILE HD13 H 1 0.200 0.02 . 1 . . . . 30 ILE HD11 . 6823 1 375 . 1 1 30 30 ILE C C 13 173.845 0.3 . 1 . . . . 30 ILE C . 6823 1 376 . 1 1 30 30 ILE CA C 13 59.761 0.3 . 1 . . . . 30 ILE CA . 6823 1 377 . 1 1 30 30 ILE CB C 13 36.999 0.3 . 1 . . . . 30 ILE CB . 6823 1 378 . 1 1 30 30 ILE CG1 C 13 25.100 0.3 . 1 . . . . 30 ILE CG1 . 6823 1 379 . 1 1 30 30 ILE CG2 C 13 16.650 0.3 . 1 . . . . 30 ILE CG2 . 6823 1 380 . 1 1 30 30 ILE CD1 C 13 8.910 0.3 . 1 . . . . 30 ILE CD1 . 6823 1 381 . 1 1 30 30 ILE N N 15 126.782 0.3 . 1 . . . . 30 ILE N . 6823 1 382 . 1 1 31 31 HIS H H 1 7.303 0.02 . 1 . . . . 31 HIS HN . 6823 1 383 . 1 1 31 31 HIS HA H 1 4.439 0.02 . 1 . . . . 31 HIS HA . 6823 1 384 . 1 1 31 31 HIS HB2 H 1 3.050 0.02 . 2 . . . . 31 HIS HB1 . 6823 1 385 . 1 1 31 31 HIS HB3 H 1 3.750 0.02 . 2 . . . . 31 HIS HB2 . 6823 1 386 . 1 1 31 31 HIS HD2 H 1 6.460 0.02 . 3 . . . . 31 HIS HD2 . 6823 1 387 . 1 1 31 31 HIS HE1 H 1 7.790 0.02 . 3 . . . . 31 HIS HE1 . 6823 1 388 . 1 1 31 31 HIS C C 13 171.951 0.3 . 1 . . . . 31 HIS C . 6823 1 389 . 1 1 31 31 HIS CA C 13 54.827 0.3 . 1 . . . . 31 HIS CA . 6823 1 390 . 1 1 31 31 HIS CB C 13 30.030 0.3 . 1 . . . . 31 HIS CB . 6823 1 391 . 1 1 31 31 HIS CD2 C 13 118.900 0.3 . 1 . . . . 31 HIS CD2 . 6823 1 392 . 1 1 31 31 HIS CE1 C 13 138.250 0.3 . 1 . . . . 31 HIS CE1 . 6823 1 393 . 1 1 31 31 HIS N N 15 108.457 0.3 . 1 . . . . 31 HIS N . 6823 1 394 . 1 1 32 32 ASP H H 1 10.063 0.02 . 1 . . . . 32 ASP HN . 6823 1 395 . 1 1 32 32 ASP HA H 1 4.020 0.02 . 1 . . . . 32 ASP HA . 6823 1 396 . 1 1 32 32 ASP HB2 H 1 2.680 0.02 . 2 . . . . 32 ASP HB1 . 6823 1 397 . 1 1 32 32 ASP HB3 H 1 2.640 0.02 . 2 . . . . 32 ASP HB2 . 6823 1 398 . 1 1 32 32 ASP C C 13 174.102 0.3 . 1 . . . . 32 ASP C . 6823 1 399 . 1 1 32 32 ASP CA C 13 57.409 0.3 . 1 . . . . 32 ASP CA . 6823 1 400 . 1 1 32 32 ASP CB C 13 40.905 0.3 . 1 . . . . 32 ASP CB . 6823 1 401 . 1 1 32 32 ASP N N 15 122.803 0.3 . 1 . . . . 32 ASP N . 6823 1 402 . 1 1 33 33 ARG H H 1 8.296 0.02 . 1 . . . . 33 ARG HN . 6823 1 403 . 1 1 33 33 ARG HA H 1 4.722 0.02 . 1 . . . . 33 ARG HA . 6823 1 404 . 1 1 33 33 ARG HB2 H 1 2.050 0.02 . 2 . . . . 33 ARG HB1 . 6823 1 405 . 1 1 33 33 ARG HG2 H 1 1.590 0.02 . 2 . . . . 33 ARG HG2 . 6823 1 406 . 1 1 33 33 ARG HD2 H 1 3.060 0.02 . 2 . . . . 33 ARG HD1 . 6823 1 407 . 1 1 33 33 ARG HD3 H 1 3.100 0.02 . 2 . . . . 33 ARG HD2 . 6823 1 408 . 1 1 33 33 ARG HE H 1 6.540 0.02 . 1 . . . . 33 ARG HE . 6823 1 409 . 1 1 33 33 ARG HH21 H 1 6.220 0.02 . 1 . . . . 33 ARG HH21 . 6823 1 410 . 1 1 33 33 ARG C C 13 175.005 0.3 . 1 . . . . 33 ARG C . 6823 1 411 . 1 1 33 33 ARG CA C 13 56.480 0.3 . 1 . . . . 33 ARG CA . 6823 1 412 . 1 1 33 33 ARG CB C 13 29.122 0.3 . 1 . . . . 33 ARG CB . 6823 1 413 . 1 1 33 33 ARG CG C 13 28.980 0.3 . 1 . . . . 33 ARG CG . 6823 1 414 . 1 1 33 33 ARG CD C 13 43.840 0.3 . 1 . . . . 33 ARG CD . 6823 1 415 . 1 1 33 33 ARG N N 15 125.773 0.3 . 1 . . . . 33 ARG N . 6823 1 416 . 1 1 34 34 VAL H H 1 9.010 0.02 . 1 . . . . 34 VAL HN . 6823 1 417 . 1 1 34 34 VAL HA H 1 5.047 0.02 . 1 . . . . 34 VAL HA . 6823 1 418 . 1 1 34 34 VAL HB H 1 1.920 0.02 . 1 . . . . 34 VAL HB . 6823 1 419 . 1 1 34 34 VAL HG11 H 1 0.990 0.02 . 2 . . . . 34 VAL HG1 . 6823 1 420 . 1 1 34 34 VAL HG12 H 1 0.990 0.02 . 2 . . . . 34 VAL HG1 . 6823 1 421 . 1 1 34 34 VAL HG13 H 1 0.990 0.02 . 2 . . . . 34 VAL HG1 . 6823 1 422 . 1 1 34 34 VAL HG21 H 1 0.990 0.02 . 2 . . . . 34 VAL HG2 . 6823 1 423 . 1 1 34 34 VAL HG22 H 1 0.990 0.02 . 2 . . . . 34 VAL HG2 . 6823 1 424 . 1 1 34 34 VAL HG23 H 1 0.990 0.02 . 2 . . . . 34 VAL HG2 . 6823 1 425 . 1 1 34 34 VAL C C 13 175.428 0.3 . 1 . . . . 34 VAL C . 6823 1 426 . 1 1 34 34 VAL CA C 13 62.667 0.3 . 1 . . . . 34 VAL CA . 6823 1 427 . 1 1 34 34 VAL CB C 13 33.075 0.3 . 1 . . . . 34 VAL CB . 6823 1 428 . 1 1 34 34 VAL CG1 C 13 21.960 0.3 . 1 . . . . 34 VAL CG1 . 6823 1 429 . 1 1 34 34 VAL CG2 C 13 21.960 0.3 . 1 . . . . 34 VAL CG2 . 6823 1 430 . 1 1 34 34 VAL N N 15 121.899 0.3 . 1 . . . . 34 VAL N . 6823 1 431 . 1 1 35 35 CYS H H 1 9.632 0.02 . 1 . . . . 35 CYS HN . 6823 1 432 . 1 1 35 35 CYS HA H 1 5.526 0.02 . 1 . . . . 35 CYS HA . 6823 1 433 . 1 1 35 35 CYS HB2 H 1 2.520 0.02 . 2 . . . . 35 CYS HB1 . 6823 1 434 . 1 1 35 35 CYS HB3 H 1 2.570 0.02 . 2 . . . . 35 CYS HB2 . 6823 1 435 . 1 1 35 35 CYS C C 13 171.593 0.3 . 1 . . . . 35 CYS C . 6823 1 436 . 1 1 35 35 CYS CA C 13 54.941 0.3 . 1 . . . . 35 CYS CA . 6823 1 437 . 1 1 35 35 CYS CB C 13 33.230 0.3 . 1 . . . . 35 CYS CB . 6823 1 438 . 1 1 35 35 CYS N N 15 123.772 0.3 . 1 . . . . 35 CYS N . 6823 1 439 . 1 1 36 36 VAL H H 1 8.385 0.02 . 1 . . . . 36 VAL HN . 6823 1 440 . 1 1 36 36 VAL HA H 1 5.607 0.02 . 1 . . . . 36 VAL HA . 6823 1 441 . 1 1 36 36 VAL HB H 1 2.090 0.02 . 1 . . . . 36 VAL HB . 6823 1 442 . 1 1 36 36 VAL HG11 H 1 1.120 0.02 . 2 . . . . 36 VAL HG1 . 6823 1 443 . 1 1 36 36 VAL HG12 H 1 1.120 0.02 . 2 . . . . 36 VAL HG1 . 6823 1 444 . 1 1 36 36 VAL HG13 H 1 1.120 0.02 . 2 . . . . 36 VAL HG1 . 6823 1 445 . 1 1 36 36 VAL HG21 H 1 1.160 0.02 . 2 . . . . 36 VAL HG2 . 6823 1 446 . 1 1 36 36 VAL HG22 H 1 1.160 0.02 . 2 . . . . 36 VAL HG2 . 6823 1 447 . 1 1 36 36 VAL HG23 H 1 1.160 0.02 . 2 . . . . 36 VAL HG2 . 6823 1 448 . 1 1 36 36 VAL C C 13 173.372 0.3 . 1 . . . . 36 VAL C . 6823 1 449 . 1 1 36 36 VAL CA C 13 59.123 0.3 . 1 . . . . 36 VAL CA . 6823 1 450 . 1 1 36 36 VAL CB C 13 36.052 0.3 . 1 . . . . 36 VAL CB . 6823 1 451 . 1 1 36 36 VAL CG1 C 13 22.670 0.3 . 1 . . . . 36 VAL CG1 . 6823 1 452 . 1 1 36 36 VAL CG2 C 13 21.360 0.3 . 1 . . . . 36 VAL CG2 . 6823 1 453 . 1 1 36 36 VAL N N 15 114.407 0.3 . 1 . . . . 36 VAL N . 6823 1 454 . 1 1 37 37 ILE H H 1 8.286 0.02 . 1 . . . . 37 ILE HN . 6823 1 455 . 1 1 37 37 ILE HA H 1 4.940 0.02 . 1 . . . . 37 ILE HA . 6823 1 456 . 1 1 37 37 ILE HB H 1 1.600 0.02 . 1 . . . . 37 ILE HB . 6823 1 457 . 1 1 37 37 ILE HG12 H 1 0.870 0.02 . 2 . . . . 37 ILE HG11 . 6823 1 458 . 1 1 37 37 ILE HG13 H 1 1.310 0.02 . 2 . . . . 37 ILE HG12 . 6823 1 459 . 1 1 37 37 ILE HG21 H 1 0.850 0.02 . 1 . . . . 37 ILE HG21 . 6823 1 460 . 1 1 37 37 ILE HG22 H 1 0.850 0.02 . 1 . . . . 37 ILE HG21 . 6823 1 461 . 1 1 37 37 ILE HG23 H 1 0.850 0.02 . 1 . . . . 37 ILE HG21 . 6823 1 462 . 1 1 37 37 ILE HD11 H 1 0.520 0.02 . 1 . . . . 37 ILE HD11 . 6823 1 463 . 1 1 37 37 ILE HD12 H 1 0.520 0.02 . 1 . . . . 37 ILE HD11 . 6823 1 464 . 1 1 37 37 ILE HD13 H 1 0.520 0.02 . 1 . . . . 37 ILE HD11 . 6823 1 465 . 1 1 37 37 ILE CA C 13 58.114 0.3 . 1 . . . . 37 ILE CA . 6823 1 466 . 1 1 37 37 ILE CB C 13 43.073 0.3 . 1 . . . . 37 ILE CB . 6823 1 467 . 1 1 37 37 ILE CG1 C 13 26.320 0.3 . 1 . . . . 37 ILE CG1 . 6823 1 468 . 1 1 37 37 ILE CG2 C 13 17.560 0.3 . 1 . . . . 37 ILE CG2 . 6823 1 469 . 1 1 37 37 ILE CD1 C 13 14.800 0.3 . 1 . . . . 37 ILE CD1 . 6823 1 470 . 1 1 37 37 ILE N N 15 116.437 0.3 . 1 . . . . 37 ILE N . 6823 1 471 . 1 1 38 38 PRO HA H 1 5.060 0.02 . 1 . . . . 38 PRO HA . 6823 1 472 . 1 1 38 38 PRO HD2 H 1 3.760 0.02 . 1 . . . . 38 PRO HD1 . 6823 1 473 . 1 1 38 38 PRO HD3 H 1 3.760 0.02 . 1 . . . . 38 PRO HD2 . 6823 1 474 . 1 1 38 38 PRO C C 13 177.370 0.3 . 1 . . . . 38 PRO C . 6823 1 475 . 1 1 38 38 PRO CA C 13 62.190 0.3 . 1 . . . . 38 PRO CA . 6823 1 476 . 1 1 38 38 PRO CB C 13 32.520 0.3 . 1 . . . . 38 PRO CB . 6823 1 477 . 1 1 38 38 PRO CG C 13 29.530 0.3 . 1 . . . . 38 PRO CG . 6823 1 478 . 1 1 39 39 THR H H 1 7.560 0.02 . 1 . . . . 39 THR HN . 6823 1 479 . 1 1 39 39 THR HA H 1 4.430 0.02 . 1 . . . . 39 THR HA . 6823 1 480 . 1 1 39 39 THR HB H 1 3.950 0.02 . 1 . . . . 39 THR HB . 6823 1 481 . 1 1 39 39 THR HG21 H 1 1.020 0.02 . 1 . . . . 39 THR HG2 . 6823 1 482 . 1 1 39 39 THR HG22 H 1 1.020 0.02 . 1 . . . . 39 THR HG2 . 6823 1 483 . 1 1 39 39 THR HG23 H 1 1.020 0.02 . 1 . . . . 39 THR HG2 . 6823 1 484 . 1 1 39 39 THR CA C 13 64.990 0.3 . 1 . . . . 39 THR CA . 6823 1 485 . 1 1 39 39 THR CB C 13 69.000 0.3 . 1 . . . . 39 THR CB . 6823 1 486 . 1 1 39 39 THR CG2 C 13 19.970 0.3 . 1 . . . . 39 THR CG2 . 6823 1 487 . 1 1 39 39 THR N N 15 124.100 0.3 . 1 . . . . 39 THR N . 6823 1 488 . 1 1 40 40 HIS H H 1 7.930 0.02 . 1 . . . . 40 HIS HN . 6823 1 489 . 1 1 40 40 HIS HA H 1 4.280 0.02 . 1 . . . . 40 HIS HA . 6823 1 490 . 1 1 40 40 HIS HB2 H 1 2.770 0.02 . 1 . . . . 40 HIS HB1 . 6823 1 491 . 1 1 40 40 HIS HB3 H 1 2.770 0.02 . 1 . . . . 40 HIS HB2 . 6823 1 492 . 1 1 40 40 HIS HD2 H 1 6.620 0.02 . 3 . . . . 40 HIS HD2 . 6823 1 493 . 1 1 40 40 HIS HE1 H 1 7.820 0.02 . 3 . . . . 40 HIS HE1 . 6823 1 494 . 1 1 40 40 HIS HE2 H 1 7.250 0.02 . 3 . . . . 40 HIS HE2 . 6823 1 495 . 1 1 40 40 HIS C C 13 174.530 0.3 . 1 . . . . 40 HIS C . 6823 1 496 . 1 1 40 40 HIS CA C 13 57.610 0.3 . 1 . . . . 40 HIS CA . 6823 1 497 . 1 1 40 40 HIS CB C 13 28.890 0.3 . 1 . . . . 40 HIS CB . 6823 1 498 . 1 1 40 40 HIS CD2 C 13 118.360 0.3 . 1 . . . . 40 HIS CD2 . 6823 1 499 . 1 1 40 40 HIS CE1 C 13 135.700 0.3 . 1 . . . . 40 HIS CE1 . 6823 1 500 . 1 1 41 41 ALA H H 1 7.310 0.02 . 1 . . . . 41 ALA HN . 6823 1 501 . 1 1 41 41 ALA HA H 1 3.500 0.02 . 1 . . . . 41 ALA HA . 6823 1 502 . 1 1 41 41 ALA HB1 H 1 0.180 0.02 . 1 . . . . 41 ALA HB . 6823 1 503 . 1 1 41 41 ALA HB2 H 1 0.180 0.02 . 1 . . . . 41 ALA HB . 6823 1 504 . 1 1 41 41 ALA HB3 H 1 0.180 0.02 . 1 . . . . 41 ALA HB . 6823 1 505 . 1 1 41 41 ALA C C 13 176.960 0.3 . 1 . . . . 41 ALA C . 6823 1 506 . 1 1 41 41 ALA CA C 13 54.190 0.3 . 1 . . . . 41 ALA CA . 6823 1 507 . 1 1 41 41 ALA CB C 13 17.810 0.3 . 1 . . . . 41 ALA CB . 6823 1 508 . 1 1 41 41 ALA N N 15 120.100 0.3 . 1 . . . . 41 ALA N . 6823 1 509 . 1 1 42 42 GLN H H 1 8.000 0.02 . 1 . . . . 42 GLN HN . 6823 1 510 . 1 1 42 42 GLN HA H 1 3.950 0.02 . 1 . . . . 42 GLN HA . 6823 1 511 . 1 1 42 42 GLN HB2 H 1 1.800 0.02 . 1 . . . . 42 GLN HB1 . 6823 1 512 . 1 1 42 42 GLN HB3 H 1 1.800 0.02 . 1 . . . . 42 GLN HB2 . 6823 1 513 . 1 1 42 42 GLN HG2 H 1 2.160 0.02 . 1 . . . . 42 GLN HG1 . 6823 1 514 . 1 1 42 42 GLN HG3 H 1 2.160 0.02 . 1 . . . . 42 GLN HG2 . 6823 1 515 . 1 1 42 42 GLN HE21 H 1 7.320 0.02 . 2 . . . . 42 GLN HE21 . 6823 1 516 . 1 1 42 42 GLN HE22 H 1 6.780 0.02 . 2 . . . . 42 GLN HE22 . 6823 1 517 . 1 1 42 42 GLN CA C 13 55.780 0.3 . 1 . . . . 42 GLN CA . 6823 1 518 . 1 1 42 42 GLN CB C 13 27.990 0.3 . 1 . . . . 42 GLN CB . 6823 1 519 . 1 1 42 42 GLN CG C 13 34.000 0.3 . 1 . . . . 42 GLN CG . 6823 1 520 . 1 1 42 42 GLN CD C 13 180.180 0.3 . 1 . . . . 42 GLN CD . 6823 1 521 . 1 1 42 42 GLN N N 15 110.860 0.3 . 1 . . . . 42 GLN N . 6823 1 522 . 1 1 42 42 GLN NE2 N 15 111.270 0.3 . 1 . . . . 42 GLN NE2 . 6823 1 523 . 1 1 43 43 PRO HA H 1 4.310 0.02 . 1 . . . . 43 PRO HA . 6823 1 524 . 1 1 43 43 PRO HB2 H 1 1.670 0.02 . 2 . . . . 43 PRO HB1 . 6823 1 525 . 1 1 43 43 PRO HB3 H 1 1.820 0.02 . 2 . . . . 43 PRO HB2 . 6823 1 526 . 1 1 43 43 PRO HG2 H 1 2.050 0.02 . 1 . . . . 43 PRO HG1 . 6823 1 527 . 1 1 43 43 PRO HG3 H 1 2.050 0.02 . 1 . . . . 43 PRO HG2 . 6823 1 528 . 1 1 43 43 PRO HD2 H 1 3.730 0.02 . 1 . . . . 43 PRO HD1 . 6823 1 529 . 1 1 43 43 PRO HD3 H 1 3.730 0.02 . 1 . . . . 43 PRO HD2 . 6823 1 530 . 1 1 43 43 PRO C C 13 176.840 0.3 . 1 . . . . 43 PRO C . 6823 1 531 . 1 1 43 43 PRO CA C 13 62.896 0.3 . 1 . . . . 43 PRO CA . 6823 1 532 . 1 1 43 43 PRO CB C 13 31.976 0.3 . 1 . . . . 43 PRO CB . 6823 1 533 . 1 1 43 43 PRO CG C 13 28.090 0.3 . 1 . . . . 43 PRO CG . 6823 1 534 . 1 1 43 43 PRO CD C 13 50.030 0.3 . 1 . . . . 43 PRO CD . 6823 1 535 . 1 1 44 44 GLY H H 1 9.130 0.02 . 1 . . . . 44 GLY HN . 6823 1 536 . 1 1 44 44 GLY HA2 H 1 3.740 0.02 . 2 . . . . 44 GLY HA1 . 6823 1 537 . 1 1 44 44 GLY HA3 H 1 4.380 0.02 . 2 . . . . 44 GLY HA2 . 6823 1 538 . 1 1 44 44 GLY C C 13 173.143 0.3 . 1 . . . . 44 GLY C . 6823 1 539 . 1 1 44 44 GLY CA C 13 43.992 0.3 . 1 . . . . 44 GLY CA . 6823 1 540 . 1 1 44 44 GLY N N 15 112.745 0.3 . 1 . . . . 44 GLY N . 6823 1 541 . 1 1 45 45 ASP H H 1 8.410 0.02 . 1 . . . . 45 ASP HN . 6823 1 542 . 1 1 45 45 ASP HA H 1 4.535 0.02 . 1 . . . . 45 ASP HA . 6823 1 543 . 1 1 45 45 ASP HB2 H 1 2.480 0.02 . 2 . . . . 45 ASP HB1 . 6823 1 544 . 1 1 45 45 ASP HB3 H 1 2.860 0.02 . 2 . . . . 45 ASP HB2 . 6823 1 545 . 1 1 45 45 ASP C C 13 175.352 0.3 . 1 . . . . 45 ASP C . 6823 1 546 . 1 1 45 45 ASP CA C 13 56.116 0.3 . 1 . . . . 45 ASP CA . 6823 1 547 . 1 1 45 45 ASP CB C 13 41.314 0.3 . 1 . . . . 45 ASP CB . 6823 1 548 . 1 1 45 45 ASP N N 15 121.193 0.3 . 1 . . . . 45 ASP N . 6823 1 549 . 1 1 46 46 ASP H H 1 7.775 0.02 . 1 . . . . 46 ASP HN . 6823 1 550 . 1 1 46 46 ASP HA H 1 5.220 0.02 . 1 . . . . 46 ASP HA . 6823 1 551 . 1 1 46 46 ASP HB2 H 1 2.320 0.02 . 2 . . . . 46 ASP HB1 . 6823 1 552 . 1 1 46 46 ASP HB3 H 1 2.580 0.02 . 2 . . . . 46 ASP HB2 . 6823 1 553 . 1 1 46 46 ASP C C 13 173.800 0.3 . 1 . . . . 46 ASP C . 6823 1 554 . 1 1 46 46 ASP CA C 13 52.637 0.3 . 1 . . . . 46 ASP CA . 6823 1 555 . 1 1 46 46 ASP CB C 13 44.691 0.3 . 1 . . . . 46 ASP CB . 6823 1 556 . 1 1 46 46 ASP N N 15 114.710 0.3 . 1 . . . . 46 ASP N . 6823 1 557 . 1 1 47 47 VAL H H 1 8.768 0.02 . 1 . . . . 47 VAL HN . 6823 1 558 . 1 1 47 47 VAL HA H 1 4.697 0.02 . 1 . . . . 47 VAL HA . 6823 1 559 . 1 1 47 47 VAL HB H 1 2.100 0.02 . 1 . . . . 47 VAL HB . 6823 1 560 . 1 1 47 47 VAL HG11 H 1 0.720 0.02 . 1 . . . . 47 VAL HG1 . 6823 1 561 . 1 1 47 47 VAL HG12 H 1 0.720 0.02 . 1 . . . . 47 VAL HG1 . 6823 1 562 . 1 1 47 47 VAL HG13 H 1 0.720 0.02 . 1 . . . . 47 VAL HG1 . 6823 1 563 . 1 1 47 47 VAL HG21 H 1 0.500 0.02 . 1 . . . . 47 VAL HG2 . 6823 1 564 . 1 1 47 47 VAL HG22 H 1 0.500 0.02 . 1 . . . . 47 VAL HG2 . 6823 1 565 . 1 1 47 47 VAL HG23 H 1 0.500 0.02 . 1 . . . . 47 VAL HG2 . 6823 1 566 . 1 1 47 47 VAL C C 13 174.671 0.3 . 1 . . . . 47 VAL C . 6823 1 567 . 1 1 47 47 VAL CA C 13 59.054 0.3 . 1 . . . . 47 VAL CA . 6823 1 568 . 1 1 47 47 VAL CB C 13 36.156 0.3 . 1 . . . . 47 VAL CB . 6823 1 569 . 1 1 47 47 VAL CG1 C 13 22.280 0.3 . 1 . . . . 47 VAL CG1 . 6823 1 570 . 1 1 47 47 VAL CG2 C 13 17.950 0.3 . 1 . . . . 47 VAL CG2 . 6823 1 571 . 1 1 47 47 VAL N N 15 111.523 0.3 . 1 . . . . 47 VAL N . 6823 1 572 . 1 1 48 48 LEU H H 1 7.960 0.02 . 1 . . . . 48 LEU HN . 6823 1 573 . 1 1 48 48 LEU HA H 1 5.276 0.02 . 1 . . . . 48 LEU HA . 6823 1 574 . 1 1 48 48 LEU HB2 H 1 1.910 0.02 . 2 . . . . 48 LEU HB1 . 6823 1 575 . 1 1 48 48 LEU HB3 H 1 0.880 0.02 . 2 . . . . 48 LEU HB2 . 6823 1 576 . 1 1 48 48 LEU HG H 1 1.560 0.02 . 1 . . . . 48 LEU HG . 6823 1 577 . 1 1 48 48 LEU HD11 H 1 0.680 0.02 . 2 . . . . 48 LEU HD1 . 6823 1 578 . 1 1 48 48 LEU HD12 H 1 0.680 0.02 . 2 . . . . 48 LEU HD1 . 6823 1 579 . 1 1 48 48 LEU HD13 H 1 0.680 0.02 . 2 . . . . 48 LEU HD1 . 6823 1 580 . 1 1 48 48 LEU HD21 H 1 0.840 0.02 . 2 . . . . 48 LEU HD2 . 6823 1 581 . 1 1 48 48 LEU HD22 H 1 0.840 0.02 . 2 . . . . 48 LEU HD2 . 6823 1 582 . 1 1 48 48 LEU HD23 H 1 0.840 0.02 . 2 . . . . 48 LEU HD2 . 6823 1 583 . 1 1 48 48 LEU C C 13 177.242 0.3 . 1 . . . . 48 LEU C . 6823 1 584 . 1 1 48 48 LEU CA C 13 53.375 0.3 . 1 . . . . 48 LEU CA . 6823 1 585 . 1 1 48 48 LEU CB C 13 42.513 0.3 . 1 . . . . 48 LEU CB . 6823 1 586 . 1 1 48 48 LEU CG C 13 26.850 0.3 . 1 . . . . 48 LEU CG . 6823 1 587 . 1 1 48 48 LEU CD1 C 13 22.250 0.3 . 1 . . . . 48 LEU CD1 . 6823 1 588 . 1 1 48 48 LEU CD2 C 13 24.950 0.3 . 1 . . . . 48 LEU CD2 . 6823 1 589 . 1 1 48 48 LEU N N 15 116.118 0.3 . 1 . . . . 48 LEU N . 6823 1 590 . 1 1 49 49 VAL H H 1 9.382 0.02 . 1 . . . . 49 VAL HN . 6823 1 591 . 1 1 49 49 VAL HA H 1 4.571 0.02 . 1 . . . . 49 VAL HA . 6823 1 592 . 1 1 49 49 VAL HB H 1 2.070 0.02 . 1 . . . . 49 VAL HB . 6823 1 593 . 1 1 49 49 VAL HG11 H 1 0.850 0.02 . 2 . . . . 49 VAL HG1 . 6823 1 594 . 1 1 49 49 VAL HG12 H 1 0.850 0.02 . 2 . . . . 49 VAL HG1 . 6823 1 595 . 1 1 49 49 VAL HG13 H 1 0.850 0.02 . 2 . . . . 49 VAL HG1 . 6823 1 596 . 1 1 49 49 VAL HG21 H 1 0.850 0.02 . 2 . . . . 49 VAL HG2 . 6823 1 597 . 1 1 49 49 VAL HG22 H 1 0.850 0.02 . 2 . . . . 49 VAL HG2 . 6823 1 598 . 1 1 49 49 VAL HG23 H 1 0.850 0.02 . 2 . . . . 49 VAL HG2 . 6823 1 599 . 1 1 49 49 VAL C C 13 176.562 0.3 . 1 . . . . 49 VAL C . 6823 1 600 . 1 1 49 49 VAL CA C 13 61.442 0.3 . 1 . . . . 49 VAL CA . 6823 1 601 . 1 1 49 49 VAL CB C 13 32.638 0.3 . 1 . . . . 49 VAL CB . 6823 1 602 . 1 1 49 49 VAL CG1 C 13 21.950 0.3 . 1 . . . . 49 VAL CG1 . 6823 1 603 . 1 1 49 49 VAL CG2 C 13 21.960 0.3 . 1 . . . . 49 VAL CG2 . 6823 1 604 . 1 1 49 49 VAL N N 15 122.750 0.3 . 1 . . . . 49 VAL N . 6823 1 605 . 1 1 50 50 ASN H H 1 9.865 0.02 . 1 . . . . 50 ASN HN . 6823 1 606 . 1 1 50 50 ASN HA H 1 4.471 0.02 . 1 . . . . 50 ASN HA . 6823 1 607 . 1 1 50 50 ASN HB2 H 1 3.090 0.02 . 2 . . . . 50 ASN HB1 . 6823 1 608 . 1 1 50 50 ASN HB3 H 1 3.180 0.02 . 2 . . . . 50 ASN HB2 . 6823 1 609 . 1 1 50 50 ASN HD21 H 1 7.720 0.02 . 2 . . . . 50 ASN HD21 . 6823 1 610 . 1 1 50 50 ASN HD22 H 1 7.290 0.02 . 2 . . . . 50 ASN HD22 . 6823 1 611 . 1 1 50 50 ASN C C 13 175.705 0.3 . 1 . . . . 50 ASN C . 6823 1 612 . 1 1 50 50 ASN CA C 13 54.338 0.3 . 1 . . . . 50 ASN CA . 6823 1 613 . 1 1 50 50 ASN CB C 13 37.234 0.3 . 1 . . . . 50 ASN CB . 6823 1 614 . 1 1 50 50 ASN N N 15 128.906 0.3 . 1 . . . . 50 ASN N . 6823 1 615 . 1 1 50 50 ASN ND2 N 15 113.540 0.3 . 1 . . . . 50 ASN ND2 . 6823 1 616 . 1 1 51 51 GLY H H 1 8.269 0.02 . 1 . . . . 51 GLY HN . 6823 1 617 . 1 1 51 51 GLY HA2 H 1 4.310 0.02 . 2 . . . . 51 GLY HA1 . 6823 1 618 . 1 1 51 51 GLY HA3 H 1 3.520 0.02 . 2 . . . . 51 GLY HA2 . 6823 1 619 . 1 1 51 51 GLY C C 13 173.106 0.3 . 1 . . . . 51 GLY C . 6823 1 620 . 1 1 51 51 GLY CA C 13 45.800 0.3 . 1 . . . . 51 GLY CA . 6823 1 621 . 1 1 51 51 GLY N N 15 101.193 0.3 . 1 . . . . 51 GLY N . 6823 1 622 . 1 1 52 52 GLN H H 1 7.766 0.02 . 1 . . . . 52 GLN HN . 6823 1 623 . 1 1 52 52 GLN HA H 1 4.598 0.02 . 1 . . . . 52 GLN HA . 6823 1 624 . 1 1 52 52 GLN HB2 H 1 2.150 0.02 . 2 . . . . 52 GLN HB1 . 6823 1 625 . 1 1 52 52 GLN HB3 H 1 2.030 0.02 . 2 . . . . 52 GLN HB2 . 6823 1 626 . 1 1 52 52 GLN HG2 H 1 2.410 0.02 . 2 . . . . 52 GLN HG1 . 6823 1 627 . 1 1 52 52 GLN HG3 H 1 2.300 0.02 . 2 . . . . 52 GLN HG2 . 6823 1 628 . 1 1 52 52 GLN C C 13 175.174 0.3 . 1 . . . . 52 GLN C . 6823 1 629 . 1 1 52 52 GLN CA C 13 53.968 0.3 . 1 . . . . 52 GLN CA . 6823 1 630 . 1 1 52 52 GLN CB C 13 30.691 0.3 . 1 . . . . 52 GLN CB . 6823 1 631 . 1 1 52 52 GLN CG C 13 33.610 0.3 . 1 . . . . 52 GLN CG . 6823 1 632 . 1 1 52 52 GLN N N 15 120.694 0.3 . 1 . . . . 52 GLN N . 6823 1 633 . 1 1 53 53 LYS H H 1 8.844 0.02 . 1 . . . . 53 LYS HN . 6823 1 634 . 1 1 53 53 LYS HA H 1 4.450 0.02 . 1 . . . . 53 LYS HA . 6823 1 635 . 1 1 53 53 LYS HB2 H 1 1.770 0.02 . 1 . . . . 53 LYS HB1 . 6823 1 636 . 1 1 53 53 LYS HB3 H 1 1.770 0.02 . 1 . . . . 53 LYS HB2 . 6823 1 637 . 1 1 53 53 LYS HG2 H 1 1.200 0.02 . 1 . . . . 53 LYS HG1 . 6823 1 638 . 1 1 53 53 LYS HG3 H 1 1.200 0.02 . 1 . . . . 53 LYS HG2 . 6823 1 639 . 1 1 53 53 LYS HD2 H 1 1.550 0.02 . 1 . . . . 53 LYS HD1 . 6823 1 640 . 1 1 53 53 LYS HD3 H 1 1.550 0.02 . 1 . . . . 53 LYS HD2 . 6823 1 641 . 1 1 53 53 LYS HE2 H 1 2.810 0.02 . 1 . . . . 53 LYS HE1 . 6823 1 642 . 1 1 53 53 LYS HE3 H 1 2.810 0.02 . 1 . . . . 53 LYS HE2 . 6823 1 643 . 1 1 53 53 LYS C C 13 175.474 0.3 . 1 . . . . 53 LYS C . 6823 1 644 . 1 1 53 53 LYS CA C 13 58.231 0.3 . 1 . . . . 53 LYS CA . 6823 1 645 . 1 1 53 53 LYS CB C 13 32.165 0.3 . 1 . . . . 53 LYS CB . 6823 1 646 . 1 1 53 53 LYS CG C 13 24.590 0.3 . 1 . . . . 53 LYS CG . 6823 1 647 . 1 1 53 53 LYS CD C 13 28.960 0.3 . 1 . . . . 53 LYS CD . 6823 1 648 . 1 1 53 53 LYS CE C 13 41.810 0.3 . 1 . . . . 53 LYS CE . 6823 1 649 . 1 1 53 53 LYS N N 15 127.811 0.3 . 1 . . . . 53 LYS N . 6823 1 650 . 1 1 54 54 ILE H H 1 9.354 0.02 . 1 . . . . 54 ILE HN . 6823 1 651 . 1 1 54 54 ILE HA H 1 4.499 0.02 . 1 . . . . 54 ILE HA . 6823 1 652 . 1 1 54 54 ILE HB H 1 1.810 0.02 . 1 . . . . 54 ILE HB . 6823 1 653 . 1 1 54 54 ILE HG12 H 1 1.310 0.02 . 2 . . . . 54 ILE HG11 . 6823 1 654 . 1 1 54 54 ILE HG13 H 1 1.580 0.02 . 2 . . . . 54 ILE HG12 . 6823 1 655 . 1 1 54 54 ILE HG21 H 1 0.970 0.02 . 1 . . . . 54 ILE HG21 . 6823 1 656 . 1 1 54 54 ILE HG22 H 1 0.970 0.02 . 1 . . . . 54 ILE HG21 . 6823 1 657 . 1 1 54 54 ILE HG23 H 1 0.970 0.02 . 1 . . . . 54 ILE HG21 . 6823 1 658 . 1 1 54 54 ILE HD11 H 1 0.810 0.02 . 1 . . . . 54 ILE HD11 . 6823 1 659 . 1 1 54 54 ILE HD12 H 1 0.810 0.02 . 1 . . . . 54 ILE HD11 . 6823 1 660 . 1 1 54 54 ILE HD13 H 1 0.810 0.02 . 1 . . . . 54 ILE HD11 . 6823 1 661 . 1 1 54 54 ILE C C 13 174.411 0.3 . 1 . . . . 54 ILE C . 6823 1 662 . 1 1 54 54 ILE CA C 13 58.283 0.3 . 1 . . . . 54 ILE CA . 6823 1 663 . 1 1 54 54 ILE CB C 13 40.269 0.3 . 1 . . . . 54 ILE CB . 6823 1 664 . 1 1 54 54 ILE CG1 C 13 27.210 0.3 . 1 . . . . 54 ILE CG1 . 6823 1 665 . 1 1 54 54 ILE CG2 C 13 18.830 0.3 . 1 . . . . 54 ILE CG2 . 6823 1 666 . 1 1 54 54 ILE CD1 C 13 10.850 0.3 . 1 . . . . 54 ILE CD1 . 6823 1 667 . 1 1 54 54 ILE N N 15 130.948 0.3 . 1 . . . . 54 ILE N . 6823 1 668 . 1 1 55 55 ARG H H 1 8.870 0.02 . 1 . . . . 55 ARG HN . 6823 1 669 . 1 1 55 55 ARG HA H 1 4.532 0.02 . 1 . . . . 55 ARG HA . 6823 1 670 . 1 1 55 55 ARG HB2 H 1 1.900 0.02 . 2 . . . . 55 ARG HB1 . 6823 1 671 . 1 1 55 55 ARG HB3 H 1 1.960 0.02 . 2 . . . . 55 ARG HB2 . 6823 1 672 . 1 1 55 55 ARG HG2 H 1 1.800 0.02 . 2 . . . . 55 ARG HG1 . 6823 1 673 . 1 1 55 55 ARG HG3 H 1 1.600 0.02 . 2 . . . . 55 ARG HG2 . 6823 1 674 . 1 1 55 55 ARG HD2 H 1 3.360 0.02 . 2 . . . . 55 ARG HD1 . 6823 1 675 . 1 1 55 55 ARG HD3 H 1 3.270 0.02 . 2 . . . . 55 ARG HD2 . 6823 1 676 . 1 1 55 55 ARG C C 13 175.011 0.3 . 1 . . . . 55 ARG C . 6823 1 677 . 1 1 55 55 ARG CA C 13 56.933 0.3 . 1 . . . . 55 ARG CA . 6823 1 678 . 1 1 55 55 ARG CB C 13 31.351 0.3 . 1 . . . . 55 ARG CB . 6823 1 679 . 1 1 55 55 ARG CG C 13 27.630 0.3 . 1 . . . . 55 ARG CG . 6823 1 680 . 1 1 55 55 ARG CD C 13 43.230 0.3 . 1 . . . . 55 ARG CD . 6823 1 681 . 1 1 55 55 ARG N N 15 126.299 0.3 . 1 . . . . 55 ARG N . 6823 1 682 . 1 1 56 56 VAL H H 1 8.450 0.02 . 1 . . . . 56 VAL HN . 6823 1 683 . 1 1 56 56 VAL HA H 1 4.040 0.02 . 1 . . . . 56 VAL HA . 6823 1 684 . 1 1 56 56 VAL HB H 1 2.040 0.02 . 1 . . . . 56 VAL HB . 6823 1 685 . 1 1 56 56 VAL HG11 H 1 0.800 0.02 . 2 . . . . 56 VAL HG1 . 6823 1 686 . 1 1 56 56 VAL HG12 H 1 0.800 0.02 . 2 . . . . 56 VAL HG1 . 6823 1 687 . 1 1 56 56 VAL HG13 H 1 0.800 0.02 . 2 . . . . 56 VAL HG1 . 6823 1 688 . 1 1 56 56 VAL HG21 H 1 0.840 0.02 . 2 . . . . 56 VAL HG2 . 6823 1 689 . 1 1 56 56 VAL HG22 H 1 0.840 0.02 . 2 . . . . 56 VAL HG2 . 6823 1 690 . 1 1 56 56 VAL HG23 H 1 0.840 0.02 . 2 . . . . 56 VAL HG2 . 6823 1 691 . 1 1 56 56 VAL C C 13 175.909 0.3 . 1 . . . . 56 VAL C . 6823 1 692 . 1 1 56 56 VAL CA C 13 62.171 0.3 . 1 . . . . 56 VAL CA . 6823 1 693 . 1 1 56 56 VAL CB C 13 32.181 0.3 . 1 . . . . 56 VAL CB . 6823 1 694 . 1 1 56 56 VAL CG1 C 13 22.930 0.3 . 1 . . . . 56 VAL CG1 . 6823 1 695 . 1 1 56 56 VAL CG2 C 13 23.850 0.3 . 1 . . . . 56 VAL CG2 . 6823 1 696 . 1 1 56 56 VAL N N 15 125.212 0.3 . 1 . . . . 56 VAL N . 6823 1 697 . 1 1 57 57 LYS H H 1 8.853 0.02 . 1 . . . . 57 LYS HN . 6823 1 698 . 1 1 57 57 LYS HA H 1 4.166 0.02 . 1 . . . . 57 LYS HA . 6823 1 699 . 1 1 57 57 LYS HB2 H 1 1.700 0.02 . 2 . . . . 57 LYS HB1 . 6823 1 700 . 1 1 57 57 LYS HB3 H 1 1.460 0.02 . 2 . . . . 57 LYS HB2 . 6823 1 701 . 1 1 57 57 LYS HG2 H 1 1.380 0.02 . 2 . . . . 57 LYS HG1 . 6823 1 702 . 1 1 57 57 LYS HG3 H 1 1.400 0.02 . 2 . . . . 57 LYS HG2 . 6823 1 703 . 1 1 57 57 LYS HD2 H 1 1.640 0.02 . 1 . . . . 57 LYS HD1 . 6823 1 704 . 1 1 57 57 LYS HD3 H 1 1.640 0.02 . 1 . . . . 57 LYS HD2 . 6823 1 705 . 1 1 57 57 LYS HE2 H 1 2.880 0.02 . 1 . . . . 57 LYS HE1 . 6823 1 706 . 1 1 57 57 LYS HE3 H 1 2.940 0.02 . 1 . . . . 57 LYS HE2 . 6823 1 707 . 1 1 57 57 LYS C C 13 175.855 0.3 . 1 . . . . 57 LYS C . 6823 1 708 . 1 1 57 57 LYS CA C 13 57.870 0.3 . 1 . . . . 57 LYS CA . 6823 1 709 . 1 1 57 57 LYS CB C 13 33.509 0.3 . 1 . . . . 57 LYS CB . 6823 1 710 . 1 1 57 57 LYS CG C 13 25.010 0.3 . 1 . . . . 57 LYS CG . 6823 1 711 . 1 1 57 57 LYS CD C 13 28.920 0.3 . 1 . . . . 57 LYS CD . 6823 1 712 . 1 1 57 57 LYS CE C 13 41.420 0.3 . 1 . . . . 57 LYS CE . 6823 1 713 . 1 1 57 57 LYS N N 15 129.058 0.3 . 1 . . . . 57 LYS N . 6823 1 714 . 1 1 58 58 ASP H H 1 7.609 0.02 . 1 . . . . 58 ASP HN . 6823 1 715 . 1 1 58 58 ASP HA H 1 4.797 0.02 . 1 . . . . 58 ASP HA . 6823 1 716 . 1 1 58 58 ASP HB2 H 1 2.660 0.02 . 2 . . . . 58 ASP HB1 . 6823 1 717 . 1 1 58 58 ASP HB3 H 1 2.540 0.02 . 2 . . . . 58 ASP HB2 . 6823 1 718 . 1 1 58 58 ASP C C 13 172.980 0.3 . 1 . . . . 58 ASP C . 6823 1 719 . 1 1 58 58 ASP CA C 13 53.586 0.3 . 1 . . . . 58 ASP CA . 6823 1 720 . 1 1 58 58 ASP CB C 13 44.600 0.3 . 1 . . . . 58 ASP CB . 6823 1 721 . 1 1 58 58 ASP N N 15 114.443 0.3 . 1 . . . . 58 ASP N . 6823 1 722 . 1 1 59 59 LYS H H 1 8.158 0.02 . 1 . . . . 59 LYS HN . 6823 1 723 . 1 1 59 59 LYS HA H 1 5.346 0.02 . 1 . . . . 59 LYS HA . 6823 1 724 . 1 1 59 59 LYS HB2 H 1 1.710 0.02 . 2 . . . . 59 LYS HB1 . 6823 1 725 . 1 1 59 59 LYS HB3 H 1 1.400 0.02 . 2 . . . . 59 LYS HB2 . 6823 1 726 . 1 1 59 59 LYS HG2 H 1 1.300 0.02 . 2 . . . . 59 LYS HG1 . 6823 1 727 . 1 1 59 59 LYS HG3 H 1 1.240 0.02 . 2 . . . . 59 LYS HG2 . 6823 1 728 . 1 1 59 59 LYS HD2 H 1 1.310 0.02 . 2 . . . . 59 LYS HD1 . 6823 1 729 . 1 1 59 59 LYS HD3 H 1 1.470 0.02 . 2 . . . . 59 LYS HD2 . 6823 1 730 . 1 1 59 59 LYS HE2 H 1 3.050 0.02 . 1 . . . . 59 LYS HE1 . 6823 1 731 . 1 1 59 59 LYS HE3 H 1 2.890 0.02 . 1 . . . . 59 LYS HE2 . 6823 1 732 . 1 1 59 59 LYS C C 13 174.391 0.3 . 1 . . . . 59 LYS C . 6823 1 733 . 1 1 59 59 LYS CA C 13 54.959 0.3 . 1 . . . . 59 LYS CA . 6823 1 734 . 1 1 59 59 LYS CB C 13 35.925 0.3 . 1 . . . . 59 LYS CB . 6823 1 735 . 1 1 59 59 LYS CG C 13 23.200 0.3 . 1 . . . . 59 LYS CG . 6823 1 736 . 1 1 59 59 LYS CD C 13 29.740 0.3 . 1 . . . . 59 LYS CD . 6823 1 737 . 1 1 59 59 LYS CE C 13 41.580 0.3 . 1 . . . . 59 LYS CE . 6823 1 738 . 1 1 59 59 LYS N N 15 118.077 0.3 . 1 . . . . 59 LYS N . 6823 1 739 . 1 1 60 60 TYR H H 1 8.386 0.02 . 1 . . . . 60 TYR HN . 6823 1 740 . 1 1 60 60 TYR HA H 1 4.816 0.02 . 1 . . . . 60 TYR HA . 6823 1 741 . 1 1 60 60 TYR HB2 H 1 3.120 0.02 . 2 . . . . 60 TYR HB1 . 6823 1 742 . 1 1 60 60 TYR HB3 H 1 2.900 0.02 . 2 . . . . 60 TYR HB2 . 6823 1 743 . 1 1 60 60 TYR HD1 H 1 6.920 0.02 . 1 . . . . 60 TYR HD1 . 6823 1 744 . 1 1 60 60 TYR HD2 H 1 6.920 0.02 . 1 . . . . 60 TYR HD2 . 6823 1 745 . 1 1 60 60 TYR HE1 H 1 6.740 0.02 . 3 . . . . 60 TYR HE1 . 6823 1 746 . 1 1 60 60 TYR HE2 H 1 6.770 0.02 . 3 . . . . 60 TYR HE2 . 6823 1 747 . 1 1 60 60 TYR C C 13 172.967 0.3 . 1 . . . . 60 TYR C . 6823 1 748 . 1 1 60 60 TYR CA C 13 56.417 0.3 . 1 . . . . 60 TYR CA . 6823 1 749 . 1 1 60 60 TYR CB C 13 40.282 0.3 . 1 . . . . 60 TYR CB . 6823 1 750 . 1 1 60 60 TYR CD1 C 13 133.280 0.3 . 1 . . . . 60 TYR CD1 . 6823 1 751 . 1 1 60 60 TYR CD2 C 13 133.280 0.3 . 1 . . . . 60 TYR CD2 . 6823 1 752 . 1 1 60 60 TYR CE1 C 13 117.990 0.3 . 1 . . . . 60 TYR CE1 . 6823 1 753 . 1 1 60 60 TYR CE2 C 13 117.990 0.3 . 1 . . . . 60 TYR CE2 . 6823 1 754 . 1 1 60 60 TYR N N 15 119.482 0.3 . 1 . . . . 60 TYR N . 6823 1 755 . 1 1 61 61 LYS H H 1 8.515 0.02 . 1 . . . . 61 LYS HN . 6823 1 756 . 1 1 61 61 LYS HA H 1 4.707 0.02 . 1 . . . . 61 LYS HA . 6823 1 757 . 1 1 61 61 LYS HB2 H 1 1.710 0.02 . 2 . . . . 61 LYS HB1 . 6823 1 758 . 1 1 61 61 LYS HB3 H 1 1.480 0.02 . 2 . . . . 61 LYS HB2 . 6823 1 759 . 1 1 61 61 LYS HG2 H 1 1.340 0.02 . 1 . . . . 61 LYS HG1 . 6823 1 760 . 1 1 61 61 LYS HG3 H 1 1.340 0.02 . 1 . . . . 61 LYS HG2 . 6823 1 761 . 1 1 61 61 LYS HD2 H 1 1.670 0.02 . 2 . . . . 61 LYS HD1 . 6823 1 762 . 1 1 61 61 LYS HD3 H 1 1.600 0.02 . 2 . . . . 61 LYS HD2 . 6823 1 763 . 1 1 61 61 LYS HE2 H 1 2.890 0.02 . 1 . . . . 61 LYS HE1 . 6823 1 764 . 1 1 61 61 LYS HE3 H 1 2.890 0.02 . 1 . . . . 61 LYS HE2 . 6823 1 765 . 1 1 61 61 LYS C C 13 175.947 0.3 . 1 . . . . 61 LYS C . 6823 1 766 . 1 1 61 61 LYS CA C 13 55.177 0.3 . 1 . . . . 61 LYS CA . 6823 1 767 . 1 1 61 61 LYS CB C 13 33.578 0.3 . 1 . . . . 61 LYS CB . 6823 1 768 . 1 1 61 61 LYS CG C 13 24.860 0.3 . 1 . . . . 61 LYS CG . 6823 1 769 . 1 1 61 61 LYS CD C 13 29.500 0.3 . 1 . . . . 61 LYS CD . 6823 1 770 . 1 1 61 61 LYS CE C 13 41.800 0.3 . 1 . . . . 61 LYS CE . 6823 1 771 . 1 1 61 61 LYS N N 15 123.678 0.3 . 1 . . . . 61 LYS N . 6823 1 772 . 1 1 62 62 LEU H H 1 8.702 0.02 . 1 . . . . 62 LEU HN . 6823 1 773 . 1 1 62 62 LEU HA H 1 4.540 0.02 . 1 . . . . 62 LEU HA . 6823 1 774 . 1 1 62 62 LEU HB2 H 1 1.620 0.02 . 2 . . . . 62 LEU HB1 . 6823 1 775 . 1 1 62 62 LEU HB3 H 1 0.990 0.02 . 2 . . . . 62 LEU HB2 . 6823 1 776 . 1 1 62 62 LEU HG H 1 1.330 0.02 . 1 . . . . 62 LEU HG . 6823 1 777 . 1 1 62 62 LEU HD11 H 1 0.110 0.02 . 2 . . . . 62 LEU HD1 . 6823 1 778 . 1 1 62 62 LEU HD12 H 1 0.110 0.02 . 2 . . . . 62 LEU HD1 . 6823 1 779 . 1 1 62 62 LEU HD13 H 1 0.110 0.02 . 2 . . . . 62 LEU HD1 . 6823 1 780 . 1 1 62 62 LEU HD21 H 1 0.520 0.02 . 2 . . . . 62 LEU HD2 . 6823 1 781 . 1 1 62 62 LEU HD22 H 1 0.520 0.02 . 2 . . . . 62 LEU HD2 . 6823 1 782 . 1 1 62 62 LEU HD23 H 1 0.520 0.02 . 2 . . . . 62 LEU HD2 . 6823 1 783 . 1 1 62 62 LEU C C 13 176.791 0.3 . 1 . . . . 62 LEU C . 6823 1 784 . 1 1 62 62 LEU CA C 13 55.482 0.3 . 1 . . . . 62 LEU CA . 6823 1 785 . 1 1 62 62 LEU CB C 13 42.165 0.3 . 1 . . . . 62 LEU CB . 6823 1 786 . 1 1 62 62 LEU CG C 13 27.170 0.3 . 1 . . . . 62 LEU CG . 6823 1 787 . 1 1 62 62 LEU CD1 C 13 24.610 0.3 . 1 . . . . 62 LEU CD1 . 6823 1 788 . 1 1 62 62 LEU CD2 C 13 22.960 0.3 . 1 . . . . 62 LEU CD2 . 6823 1 789 . 1 1 62 62 LEU N N 15 123.145 0.3 . 1 . . . . 62 LEU N . 6823 1 790 . 1 1 63 63 VAL H H 1 8.096 0.02 . 1 . . . . 63 VAL HN . 6823 1 791 . 1 1 63 63 VAL HA H 1 4.680 0.02 . 1 . . . . 63 VAL HA . 6823 1 792 . 1 1 63 63 VAL HB H 1 1.800 0.02 . 1 . . . . 63 VAL HB . 6823 1 793 . 1 1 63 63 VAL HG11 H 1 0.950 0.02 . 2 . . . . 63 VAL HG1 . 6823 1 794 . 1 1 63 63 VAL HG12 H 1 0.950 0.02 . 2 . . . . 63 VAL HG1 . 6823 1 795 . 1 1 63 63 VAL HG13 H 1 0.950 0.02 . 2 . . . . 63 VAL HG1 . 6823 1 796 . 1 1 63 63 VAL HG21 H 1 0.850 0.02 . 2 . . . . 63 VAL HG2 . 6823 1 797 . 1 1 63 63 VAL HG22 H 1 0.850 0.02 . 2 . . . . 63 VAL HG2 . 6823 1 798 . 1 1 63 63 VAL HG23 H 1 0.850 0.02 . 2 . . . . 63 VAL HG2 . 6823 1 799 . 1 1 63 63 VAL C C 13 174.314 0.3 . 1 . . . . 63 VAL C . 6823 1 800 . 1 1 63 63 VAL CA C 13 59.340 0.3 . 1 . . . . 63 VAL CA . 6823 1 801 . 1 1 63 63 VAL CB C 13 36.068 0.3 . 1 . . . . 63 VAL CB . 6823 1 802 . 1 1 63 63 VAL CG1 C 13 18.360 0.3 . 1 . . . . 63 VAL CG1 . 6823 1 803 . 1 1 63 63 VAL CG2 C 13 22.450 0.3 . 1 . . . . 63 VAL CG2 . 6823 1 804 . 1 1 63 63 VAL N N 15 117.450 0.3 . 1 . . . . 63 VAL N . 6823 1 805 . 1 1 64 64 ASP H H 1 8.912 0.02 . 1 . . . . 64 ASP HN . 6823 1 806 . 1 1 64 64 ASP HA H 1 4.642 0.02 . 1 . . . . 64 ASP HA . 6823 1 807 . 1 1 64 64 ASP HB2 H 1 3.350 0.02 . 2 . . . . 64 ASP HB1 . 6823 1 808 . 1 1 64 64 ASP HB3 H 1 2.560 0.02 . 2 . . . . 64 ASP HB2 . 6823 1 809 . 1 1 64 64 ASP CA C 13 53.218 0.3 . 1 . . . . 64 ASP CA . 6823 1 810 . 1 1 64 64 ASP CB C 13 41.252 0.3 . 1 . . . . 64 ASP CB . 6823 1 811 . 1 1 64 64 ASP N N 15 125.751 0.3 . 1 . . . . 64 ASP N . 6823 1 812 . 1 1 65 65 PRO HA H 1 4.430 0.02 . 1 . . . . 65 PRO HA . 6823 1 813 . 1 1 65 65 PRO HB2 H 1 2.480 0.02 . 2 . . . . 65 PRO HB1 . 6823 1 814 . 1 1 65 65 PRO HB3 H 1 2.500 0.02 . 2 . . . . 65 PRO HB2 . 6823 1 815 . 1 1 65 65 PRO HG2 H 1 2.040 0.02 . 2 . . . . 65 PRO HG1 . 6823 1 816 . 1 1 65 65 PRO HG3 H 1 1.870 0.02 . 2 . . . . 65 PRO HG2 . 6823 1 817 . 1 1 65 65 PRO HD2 H 1 3.720 0.02 . 2 . . . . 65 PRO HD1 . 6823 1 818 . 1 1 65 65 PRO HD3 H 1 3.620 0.02 . 2 . . . . 65 PRO HD2 . 6823 1 819 . 1 1 65 65 PRO C C 13 177.294 0.3 . 1 . . . . 65 PRO C . 6823 1 820 . 1 1 65 65 PRO CA C 13 65.510 0.3 . 1 . . . . 65 PRO CA . 6823 1 821 . 1 1 65 65 PRO CB C 13 31.999 0.3 . 1 . . . . 65 PRO CB . 6823 1 822 . 1 1 65 65 PRO CG C 13 28.020 0.3 . 1 . . . . 65 PRO CG . 6823 1 823 . 1 1 65 65 PRO CD C 13 51.780 0.3 . 1 . . . . 65 PRO CD . 6823 1 824 . 1 1 66 66 GLU H H 1 8.199 0.02 . 1 . . . . 66 GLU HN . 6823 1 825 . 1 1 66 66 GLU HA H 1 4.390 0.02 . 1 . . . . 66 GLU HA . 6823 1 826 . 1 1 66 66 GLU HB2 H 1 2.300 0.02 . 1 . . . . 66 GLU HB1 . 6823 1 827 . 1 1 66 66 GLU HB3 H 1 2.300 0.02 . 1 . . . . 66 GLU HB2 . 6823 1 828 . 1 1 66 66 GLU HG2 H 1 2.180 0.02 . 1 . . . . 66 GLU HG1 . 6823 1 829 . 1 1 66 66 GLU HG3 H 1 2.180 0.02 . 1 . . . . 66 GLU HG2 . 6823 1 830 . 1 1 66 66 GLU C C 13 175.498 0.3 . 1 . . . . 66 GLU C . 6823 1 831 . 1 1 66 66 GLU CA C 13 55.700 0.3 . 1 . . . . 66 GLU CA . 6823 1 832 . 1 1 66 66 GLU CB C 13 29.439 0.3 . 1 . . . . 66 GLU CB . 6823 1 833 . 1 1 66 66 GLU CG C 13 37.440 0.3 . 1 . . . . 66 GLU CG . 6823 1 834 . 1 1 66 66 GLU N N 15 117.032 0.3 . 1 . . . . 66 GLU N . 6823 1 835 . 1 1 67 67 ASN H H 1 8.682 0.02 . 1 . . . . 67 ASN HN . 6823 1 836 . 1 1 67 67 ASN HA H 1 4.177 0.02 . 1 . . . . 67 ASN HA . 6823 1 837 . 1 1 67 67 ASN HB2 H 1 2.850 0.02 . 2 . . . . 67 ASN HB1 . 6823 1 838 . 1 1 67 67 ASN HB3 H 1 3.160 0.02 . 2 . . . . 67 ASN HB2 . 6823 1 839 . 1 1 67 67 ASN HD21 H 1 6.740 0.02 . 2 . . . . 67 ASN HD21 . 6823 1 840 . 1 1 67 67 ASN HD22 H 1 7.490 0.02 . 2 . . . . 67 ASN HD22 . 6823 1 841 . 1 1 67 67 ASN C C 13 174.600 0.3 . 1 . . . . 67 ASN C . 6823 1 842 . 1 1 67 67 ASN CA C 13 54.443 0.3 . 1 . . . . 67 ASN CA . 6823 1 843 . 1 1 67 67 ASN CB C 13 37.517 0.3 . 1 . . . . 67 ASN CB . 6823 1 844 . 1 1 67 67 ASN CG C 13 178.490 0.3 . 1 . . . . 67 ASN CG . 6823 1 845 . 1 1 67 67 ASN N N 15 114.802 0.3 . 1 . . . . 67 ASN N . 6823 1 846 . 1 1 67 67 ASN ND2 N 15 112.230 0.3 . 1 . . . . 67 ASN ND2 . 6823 1 847 . 1 1 68 68 ILE H H 1 8.476 0.02 . 1 . . . . 68 ILE HN . 6823 1 848 . 1 1 68 68 ILE HA H 1 4.028 0.02 . 1 . . . . 68 ILE HA . 6823 1 849 . 1 1 68 68 ILE HB H 1 1.950 0.02 . 1 . . . . 68 ILE HB . 6823 1 850 . 1 1 68 68 ILE HG12 H 1 1.020 0.02 . 2 . . . . 68 ILE HG11 . 6823 1 851 . 1 1 68 68 ILE HG13 H 1 1.470 0.02 . 2 . . . . 68 ILE HG12 . 6823 1 852 . 1 1 68 68 ILE HG21 H 1 0.880 0.02 . 1 . . . . 68 ILE HG21 . 6823 1 853 . 1 1 68 68 ILE HG22 H 1 0.880 0.02 . 1 . . . . 68 ILE HG21 . 6823 1 854 . 1 1 68 68 ILE HG23 H 1 0.880 0.02 . 1 . . . . 68 ILE HG21 . 6823 1 855 . 1 1 68 68 ILE HD11 H 1 0.750 0.02 . 1 . . . . 68 ILE HD11 . 6823 1 856 . 1 1 68 68 ILE HD12 H 1 0.750 0.02 . 1 . . . . 68 ILE HD11 . 6823 1 857 . 1 1 68 68 ILE HD13 H 1 0.750 0.02 . 1 . . . . 68 ILE HD11 . 6823 1 858 . 1 1 68 68 ILE C C 13 176.096 0.3 . 1 . . . . 68 ILE C . 6823 1 859 . 1 1 68 68 ILE CA C 13 60.807 0.3 . 1 . . . . 68 ILE CA . 6823 1 860 . 1 1 68 68 ILE CB C 13 36.073 0.3 . 1 . . . . 68 ILE CB . 6823 1 861 . 1 1 68 68 ILE CG1 C 13 27.910 0.3 . 1 . . . . 68 ILE CG1 . 6823 1 862 . 1 1 68 68 ILE CG2 C 13 18.200 0.3 . 1 . . . . 68 ILE CG2 . 6823 1 863 . 1 1 68 68 ILE CD1 C 13 11.840 0.3 . 1 . . . . 68 ILE CD1 . 6823 1 864 . 1 1 68 68 ILE N N 15 121.651 0.3 . 1 . . . . 68 ILE N . 6823 1 865 . 1 1 69 69 ASN H H 1 8.486 0.02 . 1 . . . . 69 ASN HN . 6823 1 866 . 1 1 69 69 ASN HA H 1 4.330 0.02 . 1 . . . . 69 ASN HA . 6823 1 867 . 1 1 69 69 ASN HB2 H 1 3.390 0.02 . 2 . . . . 69 ASN HB1 . 6823 1 868 . 1 1 69 69 ASN HB3 H 1 2.920 0.02 . 2 . . . . 69 ASN HB2 . 6823 1 869 . 1 1 69 69 ASN C C 13 174.409 0.3 . 1 . . . . 69 ASN C . 6823 1 870 . 1 1 69 69 ASN CA C 13 56.112 0.3 . 1 . . . . 69 ASN CA . 6823 1 871 . 1 1 69 69 ASN CB C 13 40.584 0.3 . 1 . . . . 69 ASN CB . 6823 1 872 . 1 1 69 69 ASN N N 15 124.160 0.3 . 1 . . . . 69 ASN N . 6823 1 873 . 1 1 70 70 LEU H H 1 7.145 0.02 . 1 . . . . 70 LEU HN . 6823 1 874 . 1 1 70 70 LEU HA H 1 4.843 0.02 . 1 . . . . 70 LEU HA . 6823 1 875 . 1 1 70 70 LEU HB2 H 1 1.750 0.02 . 2 . . . . 70 LEU HB1 . 6823 1 876 . 1 1 70 70 LEU HB3 H 1 1.380 0.02 . 2 . . . . 70 LEU HB2 . 6823 1 877 . 1 1 70 70 LEU HD11 H 1 0.650 0.02 . 2 . . . . 70 LEU HD1 . 6823 1 878 . 1 1 70 70 LEU HD12 H 1 0.650 0.02 . 2 . . . . 70 LEU HD1 . 6823 1 879 . 1 1 70 70 LEU HD13 H 1 0.650 0.02 . 2 . . . . 70 LEU HD1 . 6823 1 880 . 1 1 70 70 LEU HD21 H 1 0.930 0.02 . 2 . . . . 70 LEU HD2 . 6823 1 881 . 1 1 70 70 LEU HD22 H 1 0.930 0.02 . 2 . . . . 70 LEU HD2 . 6823 1 882 . 1 1 70 70 LEU HD23 H 1 0.930 0.02 . 2 . . . . 70 LEU HD2 . 6823 1 883 . 1 1 70 70 LEU C C 13 176.355 0.3 . 1 . . . . 70 LEU C . 6823 1 884 . 1 1 70 70 LEU CA C 13 54.279 0.3 . 1 . . . . 70 LEU CA . 6823 1 885 . 1 1 70 70 LEU CB C 13 41.929 0.3 . 1 . . . . 70 LEU CB . 6823 1 886 . 1 1 70 70 LEU CG C 13 26.720 0.3 . 1 . . . . 70 LEU CG . 6823 1 887 . 1 1 70 70 LEU CD1 C 13 25.500 0.3 . 1 . . . . 70 LEU CD1 . 6823 1 888 . 1 1 70 70 LEU CD2 C 13 23.520 0.3 . 1 . . . . 70 LEU CD2 . 6823 1 889 . 1 1 70 70 LEU N N 15 121.866 0.3 . 1 . . . . 70 LEU N . 6823 1 890 . 1 1 71 71 GLU H H 1 7.867 0.02 . 1 . . . . 71 GLU HN . 6823 1 891 . 1 1 71 71 GLU HA H 1 4.110 0.02 . 1 . . . . 71 GLU HA . 6823 1 892 . 1 1 71 71 GLU HB2 H 1 2.450 0.02 . 1 . . . . 71 GLU HB1 . 6823 1 893 . 1 1 71 71 GLU HB3 H 1 2.450 0.02 . 1 . . . . 71 GLU HB2 . 6823 1 894 . 1 1 71 71 GLU HG2 H 1 1.810 0.02 . 2 . . . . 71 GLU HG1 . 6823 1 895 . 1 1 71 71 GLU HG3 H 1 3.430 0.02 . 2 . . . . 71 GLU HG2 . 6823 1 896 . 1 1 71 71 GLU C C 13 174.436 0.3 . 1 . . . . 71 GLU C . 6823 1 897 . 1 1 71 71 GLU CA C 13 55.062 0.3 . 1 . . . . 71 GLU CA . 6823 1 898 . 1 1 71 71 GLU CB C 13 29.770 0.3 . 1 . . . . 71 GLU CB . 6823 1 899 . 1 1 71 71 GLU CG C 13 38.650 0.3 . 1 . . . . 71 GLU CG . 6823 1 900 . 1 1 71 71 GLU N N 15 116.529 0.3 . 1 . . . . 71 GLU N . 6823 1 901 . 1 1 72 72 LEU H H 1 6.489 0.02 . 1 . . . . 72 LEU HN . 6823 1 902 . 1 1 72 72 LEU HA H 1 4.783 0.02 . 1 . . . . 72 LEU HA . 6823 1 903 . 1 1 72 72 LEU HB2 H 1 1.000 0.02 . 2 . . . . 72 LEU HB1 . 6823 1 904 . 1 1 72 72 LEU HB3 H 1 1.410 0.02 . 2 . . . . 72 LEU HB2 . 6823 1 905 . 1 1 72 72 LEU HG H 1 0.950 0.02 . 1 . . . . 72 LEU HG . 6823 1 906 . 1 1 72 72 LEU HD11 H 1 0.830 0.02 . 2 . . . . 72 LEU HD1 . 6823 1 907 . 1 1 72 72 LEU HD12 H 1 0.830 0.02 . 2 . . . . 72 LEU HD1 . 6823 1 908 . 1 1 72 72 LEU HD13 H 1 0.830 0.02 . 2 . . . . 72 LEU HD1 . 6823 1 909 . 1 1 72 72 LEU HD21 H 1 0.830 0.02 . 2 . . . . 72 LEU HD2 . 6823 1 910 . 1 1 72 72 LEU HD22 H 1 0.830 0.02 . 2 . . . . 72 LEU HD2 . 6823 1 911 . 1 1 72 72 LEU HD23 H 1 0.830 0.02 . 2 . . . . 72 LEU HD2 . 6823 1 912 . 1 1 72 72 LEU C C 13 175.008 0.3 . 1 . . . . 72 LEU C . 6823 1 913 . 1 1 72 72 LEU CA C 13 53.132 0.3 . 1 . . . . 72 LEU CA . 6823 1 914 . 1 1 72 72 LEU CB C 13 47.491 0.3 . 1 . . . . 72 LEU CB . 6823 1 915 . 1 1 72 72 LEU CG C 13 27.250 0.3 . 1 . . . . 72 LEU CG . 6823 1 916 . 1 1 72 72 LEU CD1 C 13 24.330 0.3 . 1 . . . . 72 LEU CD1 . 6823 1 917 . 1 1 72 72 LEU CD2 C 13 24.330 0.3 . 1 . . . . 72 LEU CD2 . 6823 1 918 . 1 1 72 72 LEU N N 15 116.457 0.3 . 1 . . . . 72 LEU N . 6823 1 919 . 1 1 73 73 THR H H 1 8.600 0.02 . 1 . . . . 73 THR HN . 6823 1 920 . 1 1 73 73 THR HA H 1 4.930 0.02 . 1 . . . . 73 THR HA . 6823 1 921 . 1 1 73 73 THR HB H 1 3.630 0.02 . 1 . . . . 73 THR HB . 6823 1 922 . 1 1 73 73 THR HG21 H 1 0.840 0.02 . 1 . . . . 73 THR HG2 . 6823 1 923 . 1 1 73 73 THR HG22 H 1 0.840 0.02 . 1 . . . . 73 THR HG2 . 6823 1 924 . 1 1 73 73 THR HG23 H 1 0.840 0.02 . 1 . . . . 73 THR HG2 . 6823 1 925 . 1 1 73 73 THR C C 13 171.412 0.3 . 1 . . . . 73 THR C . 6823 1 926 . 1 1 73 73 THR CA C 13 62.001 0.3 . 1 . . . . 73 THR CA . 6823 1 927 . 1 1 73 73 THR CB C 13 71.731 0.3 . 1 . . . . 73 THR CB . 6823 1 928 . 1 1 73 73 THR CG2 C 13 20.750 0.3 . 1 . . . . 73 THR CG2 . 6823 1 929 . 1 1 73 73 THR N N 15 118.883 0.3 . 1 . . . . 73 THR N . 6823 1 930 . 1 1 74 74 VAL H H 1 8.676 0.02 . 1 . . . . 74 VAL HN . 6823 1 931 . 1 1 74 74 VAL HA H 1 4.470 0.02 . 1 . . . . 74 VAL HA . 6823 1 932 . 1 1 74 74 VAL HB H 1 1.440 0.02 . 1 . . . . 74 VAL HB . 6823 1 933 . 1 1 74 74 VAL HG11 H 1 1.030 0.02 . 2 . . . . 74 VAL HG1 . 6823 1 934 . 1 1 74 74 VAL HG12 H 1 1.030 0.02 . 2 . . . . 74 VAL HG1 . 6823 1 935 . 1 1 74 74 VAL HG13 H 1 1.030 0.02 . 2 . . . . 74 VAL HG1 . 6823 1 936 . 1 1 74 74 VAL HG21 H 1 0.790 0.02 . 2 . . . . 74 VAL HG2 . 6823 1 937 . 1 1 74 74 VAL HG22 H 1 0.790 0.02 . 2 . . . . 74 VAL HG2 . 6823 1 938 . 1 1 74 74 VAL HG23 H 1 0.790 0.02 . 2 . . . . 74 VAL HG2 . 6823 1 939 . 1 1 74 74 VAL C C 13 175.715 0.3 . 1 . . . . 74 VAL C . 6823 1 940 . 1 1 74 74 VAL CA C 13 61.583 0.3 . 1 . . . . 74 VAL CA . 6823 1 941 . 1 1 74 74 VAL CB C 13 32.442 0.3 . 1 . . . . 74 VAL CB . 6823 1 942 . 1 1 74 74 VAL CG1 C 13 22.670 0.3 . 1 . . . . 74 VAL CG1 . 6823 1 943 . 1 1 74 74 VAL CG2 C 13 21.200 0.3 . 1 . . . . 74 VAL CG2 . 6823 1 944 . 1 1 74 74 VAL N N 15 127.304 0.3 . 1 . . . . 74 VAL N . 6823 1 945 . 1 1 75 75 LEU H H 1 9.339 0.02 . 1 . . . . 75 LEU HN . 6823 1 946 . 1 1 75 75 LEU HA H 1 5.065 0.02 . 1 . . . . 75 LEU HA . 6823 1 947 . 1 1 75 75 LEU HB2 H 1 1.300 0.02 . 2 . . . . 75 LEU HB1 . 6823 1 948 . 1 1 75 75 LEU HB3 H 1 2.000 0.02 . 2 . . . . 75 LEU HB2 . 6823 1 949 . 1 1 75 75 LEU HG H 1 1.610 0.02 . 1 . . . . 75 LEU HG . 6823 1 950 . 1 1 75 75 LEU HD11 H 1 0.670 0.02 . 2 . . . . 75 LEU HD1 . 6823 1 951 . 1 1 75 75 LEU HD12 H 1 0.670 0.02 . 2 . . . . 75 LEU HD1 . 6823 1 952 . 1 1 75 75 LEU HD13 H 1 0.670 0.02 . 2 . . . . 75 LEU HD1 . 6823 1 953 . 1 1 75 75 LEU HD21 H 1 0.730 0.02 . 2 . . . . 75 LEU HD2 . 6823 1 954 . 1 1 75 75 LEU HD22 H 1 0.730 0.02 . 2 . . . . 75 LEU HD2 . 6823 1 955 . 1 1 75 75 LEU HD23 H 1 0.730 0.02 . 2 . . . . 75 LEU HD2 . 6823 1 956 . 1 1 75 75 LEU C C 13 175.770 0.3 . 1 . . . . 75 LEU C . 6823 1 957 . 1 1 75 75 LEU CA C 13 53.350 0.3 . 1 . . . . 75 LEU CA . 6823 1 958 . 1 1 75 75 LEU CB C 13 44.829 0.3 . 1 . . . . 75 LEU CB . 6823 1 959 . 1 1 75 75 LEU CG C 13 26.110 0.3 . 1 . . . . 75 LEU CG . 6823 1 960 . 1 1 75 75 LEU CD1 C 13 25.100 0.3 . 1 . . . . 75 LEU CD1 . 6823 1 961 . 1 1 75 75 LEU CD2 C 13 24.900 0.3 . 1 . . . . 75 LEU CD2 . 6823 1 962 . 1 1 75 75 LEU N N 15 126.975 0.3 . 1 . . . . 75 LEU N . 6823 1 963 . 1 1 76 76 THR H H 1 8.616 0.02 . 1 . . . . 76 THR HN . 6823 1 964 . 1 1 76 76 THR HA H 1 5.020 0.02 . 1 . . . . 76 THR HA . 6823 1 965 . 1 1 76 76 THR HB H 1 3.980 0.02 . 1 . . . . 76 THR HB . 6823 1 966 . 1 1 76 76 THR HG21 H 1 1.180 0.02 . 1 . . . . 76 THR HG2 . 6823 1 967 . 1 1 76 76 THR HG22 H 1 1.180 0.02 . 1 . . . . 76 THR HG2 . 6823 1 968 . 1 1 76 76 THR HG23 H 1 1.180 0.02 . 1 . . . . 76 THR HG2 . 6823 1 969 . 1 1 76 76 THR C C 13 174.912 0.3 . 1 . . . . 76 THR C . 6823 1 970 . 1 1 76 76 THR CA C 13 61.985 0.3 . 1 . . . . 76 THR CA . 6823 1 971 . 1 1 76 76 THR CB C 13 68.942 0.3 . 1 . . . . 76 THR CB . 6823 1 972 . 1 1 76 76 THR CG2 C 13 21.780 0.3 . 1 . . . . 76 THR CG2 . 6823 1 973 . 1 1 76 76 THR N N 15 117.454 0.3 . 1 . . . . 76 THR N . 6823 1 974 . 1 1 77 77 LEU H H 1 9.240 0.02 . 1 . . . . 77 LEU HN . 6823 1 975 . 1 1 77 77 LEU HA H 1 4.590 0.02 . 1 . . . . 77 LEU HA . 6823 1 976 . 1 1 77 77 LEU HB2 H 1 1.770 0.02 . 2 . . . . 77 LEU HB1 . 6823 1 977 . 1 1 77 77 LEU HB3 H 1 1.280 0.02 . 2 . . . . 77 LEU HB2 . 6823 1 978 . 1 1 77 77 LEU HG H 1 1.860 0.02 . 1 . . . . 77 LEU HG . 6823 1 979 . 1 1 77 77 LEU HD11 H 1 0.650 0.02 . 2 . . . . 77 LEU HD1 . 6823 1 980 . 1 1 77 77 LEU HD12 H 1 0.650 0.02 . 2 . . . . 77 LEU HD1 . 6823 1 981 . 1 1 77 77 LEU HD13 H 1 0.650 0.02 . 2 . . . . 77 LEU HD1 . 6823 1 982 . 1 1 77 77 LEU HD21 H 1 0.930 0.02 . 2 . . . . 77 LEU HD2 . 6823 1 983 . 1 1 77 77 LEU HD22 H 1 0.930 0.02 . 2 . . . . 77 LEU HD2 . 6823 1 984 . 1 1 77 77 LEU HD23 H 1 0.930 0.02 . 2 . . . . 77 LEU HD2 . 6823 1 985 . 1 1 77 77 LEU C C 13 176.205 0.3 . 1 . . . . 77 LEU C . 6823 1 986 . 1 1 77 77 LEU CA C 13 53.882 0.3 . 1 . . . . 77 LEU CA . 6823 1 987 . 1 1 77 77 LEU CB C 13 44.170 0.3 . 1 . . . . 77 LEU CB . 6823 1 988 . 1 1 77 77 LEU CG C 13 26.900 0.3 . 1 . . . . 77 LEU CG . 6823 1 989 . 1 1 77 77 LEU CD1 C 13 22.020 0.3 . 1 . . . . 77 LEU CD1 . 6823 1 990 . 1 1 77 77 LEU CD2 C 13 26.080 0.3 . 1 . . . . 77 LEU CD2 . 6823 1 991 . 1 1 77 77 LEU N N 15 126.389 0.3 . 1 . . . . 77 LEU N . 6823 1 992 . 1 1 78 78 ASP H H 1 8.540 0.02 . 1 . . . . 78 ASP HN . 6823 1 993 . 1 1 78 78 ASP HA H 1 4.779 0.02 . 1 . . . . 78 ASP HA . 6823 1 994 . 1 1 78 78 ASP HB2 H 1 2.090 0.02 . 2 . . . . 78 ASP HB1 . 6823 1 995 . 1 1 78 78 ASP HB3 H 1 3.180 0.02 . 2 . . . . 78 ASP HB2 . 6823 1 996 . 1 1 78 78 ASP C C 13 173.470 0.3 . 1 . . . . 78 ASP C . 6823 1 997 . 1 1 78 78 ASP CA C 13 52.477 0.3 . 1 . . . . 78 ASP CA . 6823 1 998 . 1 1 78 78 ASP CB C 13 40.268 0.3 . 1 . . . . 78 ASP CB . 6823 1 999 . 1 1 78 78 ASP N N 15 121.279 0.3 . 1 . . . . 78 ASP N . 6823 1 1000 . 1 1 79 79 ARG H H 1 7.245 0.02 . 1 . . . . 79 ARG HN . 6823 1 1001 . 1 1 79 79 ARG HA H 1 4.721 0.02 . 1 . . . . 79 ARG HA . 6823 1 1002 . 1 1 79 79 ARG HB2 H 1 1.860 0.02 . 2 . . . . 79 ARG HB1 . 6823 1 1003 . 1 1 79 79 ARG HB3 H 1 1.790 0.02 . 2 . . . . 79 ARG HB2 . 6823 1 1004 . 1 1 79 79 ARG HG2 H 1 1.450 0.02 . 2 . . . . 79 ARG HG1 . 6823 1 1005 . 1 1 79 79 ARG HG3 H 1 1.520 0.02 . 2 . . . . 79 ARG HG2 . 6823 1 1006 . 1 1 79 79 ARG HD2 H 1 3.050 0.02 . 2 . . . . 79 ARG HD1 . 6823 1 1007 . 1 1 79 79 ARG HD3 H 1 2.870 0.02 . 2 . . . . 79 ARG HD2 . 6823 1 1008 . 1 1 79 79 ARG CA C 13 54.239 0.3 . 1 . . . . 79 ARG CA . 6823 1 1009 . 1 1 79 79 ARG CB C 13 33.613 0.3 . 1 . . . . 79 ARG CB . 6823 1 1010 . 1 1 79 79 ARG CG C 13 26.500 0.3 . 1 . . . . 79 ARG CG . 6823 1 1011 . 1 1 79 79 ARG CD C 13 44.270 0.3 . 1 . . . . 79 ARG CD . 6823 1 1012 . 1 1 79 79 ARG N N 15 119.133 0.3 . 1 . . . . 79 ARG N . 6823 1 1013 . 1 1 80 80 ASN HA H 1 4.470 0.02 . 1 . . . . 80 ASN HA . 6823 1 1014 . 1 1 80 80 ASN HB2 H 1 2.700 0.02 . 1 . . . . 80 ASN HB1 . 6823 1 1015 . 1 1 80 80 ASN HB3 H 1 2.700 0.02 . 1 . . . . 80 ASN HB2 . 6823 1 1016 . 1 1 80 80 ASN HD21 H 1 6.920 0.02 . 2 . . . . 80 ASN HD21 . 6823 1 1017 . 1 1 80 80 ASN HD22 H 1 7.610 0.02 . 2 . . . . 80 ASN HD22 . 6823 1 1018 . 1 1 80 80 ASN C C 13 176.261 0.3 . 1 . . . . 80 ASN C . 6823 1 1019 . 1 1 80 80 ASN CA C 13 55.551 0.3 . 1 . . . . 80 ASN CA . 6823 1 1020 . 1 1 80 80 ASN CB C 13 39.023 0.3 . 1 . . . . 80 ASN CB . 6823 1 1021 . 1 1 80 80 ASN CG C 13 176.370 0.3 . 1 . . . . 80 ASN CG . 6823 1 1022 . 1 1 80 80 ASN ND2 N 15 113.510 0.3 . 1 . . . . 80 ASN ND2 . 6823 1 1023 . 1 1 81 81 GLU H H 1 8.280 0.02 . 1 . . . . 81 GLU HN . 6823 1 1024 . 1 1 81 81 GLU HA H 1 3.990 0.02 . 1 . . . . 81 GLU HA . 6823 1 1025 . 1 1 81 81 GLU HB2 H 1 1.710 0.02 . 2 . . . . 81 GLU HB1 . 6823 1 1026 . 1 1 81 81 GLU HB3 H 1 1.690 0.02 . 2 . . . . 81 GLU HB2 . 6823 1 1027 . 1 1 81 81 GLU HG2 H 1 2.160 0.02 . 1 . . . . 81 GLU HG1 . 6823 1 1028 . 1 1 81 81 GLU HG3 H 1 2.160 0.02 . 1 . . . . 81 GLU HG2 . 6823 1 1029 . 1 1 81 81 GLU C C 13 175.235 0.3 . 1 . . . . 81 GLU C . 6823 1 1030 . 1 1 81 81 GLU CA C 13 57.672 0.3 . 1 . . . . 81 GLU CA . 6823 1 1031 . 1 1 81 81 GLU CB C 13 30.227 0.3 . 1 . . . . 81 GLU CB . 6823 1 1032 . 1 1 81 81 GLU CG C 13 36.460 0.3 . 1 . . . . 81 GLU CG . 6823 1 1033 . 1 1 81 81 GLU N N 15 120.156 0.3 . 1 . . . . 81 GLU N . 6823 1 1034 . 1 1 82 82 LYS H H 1 8.340 0.02 . 1 . . . . 82 LYS HN . 6823 1 1035 . 1 1 82 82 LYS HA H 1 4.210 0.02 . 1 . . . . 82 LYS HA . 6823 1 1036 . 1 1 82 82 LYS HB2 H 1 1.600 0.02 . 2 . . . . 82 LYS HB1 . 6823 1 1037 . 1 1 82 82 LYS HB3 H 1 1.740 0.02 . 2 . . . . 82 LYS HB2 . 6823 1 1038 . 1 1 82 82 LYS HG2 H 1 1.470 0.02 . 2 . . . . 82 LYS HG1 . 6823 1 1039 . 1 1 82 82 LYS HG3 H 1 1.420 0.02 . 2 . . . . 82 LYS HG2 . 6823 1 1040 . 1 1 82 82 LYS HD2 H 1 1.760 0.02 . 1 . . . . 82 LYS HD1 . 6823 1 1041 . 1 1 82 82 LYS HD3 H 1 1.760 0.02 . 1 . . . . 82 LYS HD2 . 6823 1 1042 . 1 1 82 82 LYS HE2 H 1 3.000 0.02 . 1 . . . . 82 LYS HE1 . 6823 1 1043 . 1 1 82 82 LYS HE3 H 1 3.000 0.02 . 1 . . . . 82 LYS HE2 . 6823 1 1044 . 1 1 82 82 LYS C C 13 177.372 0.3 . 1 . . . . 82 LYS C . 6823 1 1045 . 1 1 82 82 LYS CA C 13 54.879 0.3 . 1 . . . . 82 LYS CA . 6823 1 1046 . 1 1 82 82 LYS CB C 13 35.124 0.3 . 1 . . . . 82 LYS CB . 6823 1 1047 . 1 1 82 82 LYS CG C 13 25.690 0.3 . 1 . . . . 82 LYS CG . 6823 1 1048 . 1 1 82 82 LYS CD C 13 29.430 0.3 . 1 . . . . 82 LYS CD . 6823 1 1049 . 1 1 82 82 LYS CE C 13 41.730 0.3 . 1 . . . . 82 LYS CE . 6823 1 1050 . 1 1 82 82 LYS N N 15 120.711 0.3 . 1 . . . . 82 LYS N . 6823 1 1051 . 1 1 83 83 PHE H H 1 9.244 0.02 . 1 . . . . 83 PHE HN . 6823 1 1052 . 1 1 83 83 PHE HA H 1 4.694 0.02 . 1 . . . . 83 PHE HA . 6823 1 1053 . 1 1 83 83 PHE HB2 H 1 2.070 0.02 . 2 . . . . 83 PHE HB1 . 6823 1 1054 . 1 1 83 83 PHE HB3 H 1 2.880 0.02 . 2 . . . . 83 PHE HB2 . 6823 1 1055 . 1 1 83 83 PHE HD1 H 1 7.220 0.02 . 3 . . . . 83 PHE HD1 . 6823 1 1056 . 1 1 83 83 PHE HD2 H 1 7.240 0.02 . 3 . . . . 83 PHE HD2 . 6823 1 1057 . 1 1 83 83 PHE HE1 H 1 7.080 0.02 . 1 . . . . 83 PHE HE1 . 6823 1 1058 . 1 1 83 83 PHE HE2 H 1 7.080 0.02 . 1 . . . . 83 PHE HE2 . 6823 1 1059 . 1 1 83 83 PHE C C 13 176.078 0.3 . 1 . . . . 83 PHE C . 6823 1 1060 . 1 1 83 83 PHE CA C 13 57.328 0.3 . 1 . . . . 83 PHE CA . 6823 1 1061 . 1 1 83 83 PHE CB C 13 39.892 0.3 . 1 . . . . 83 PHE CB . 6823 1 1062 . 1 1 83 83 PHE CD1 C 13 132.660 0.3 . 3 . . . . 83 PHE CD1 . 6823 1 1063 . 1 1 83 83 PHE CD2 C 13 132.620 0.3 . 3 . . . . 83 PHE CD2 . 6823 1 1064 . 1 1 83 83 PHE N N 15 121.886 0.3 . 1 . . . . 83 PHE N . 6823 1 1065 . 1 1 84 84 ARG H H 1 8.790 0.02 . 1 . . . . 84 ARG HN . 6823 1 1066 . 1 1 84 84 ARG HA H 1 4.140 0.02 . 1 . . . . 84 ARG HA . 6823 1 1067 . 1 1 84 84 ARG HB2 H 1 1.830 0.02 . 2 . . . . 84 ARG HB1 . 6823 1 1068 . 1 1 84 84 ARG HB3 H 1 1.790 0.02 . 2 . . . . 84 ARG HB2 . 6823 1 1069 . 1 1 84 84 ARG HG2 H 1 1.460 0.02 . 2 . . . . 84 ARG HG1 . 6823 1 1070 . 1 1 84 84 ARG HG3 H 1 1.430 0.02 . 2 . . . . 84 ARG HG2 . 6823 1 1071 . 1 1 84 84 ARG HD2 H 1 3.130 0.02 . 1 . . . . 84 ARG HD1 . 6823 1 1072 . 1 1 84 84 ARG HD3 H 1 3.130 0.02 . 1 . . . . 84 ARG HD2 . 6823 1 1073 . 1 1 84 84 ARG C C 13 176.024 0.3 . 1 . . . . 84 ARG C . 6823 1 1074 . 1 1 84 84 ARG CA C 13 56.641 0.3 . 1 . . . . 84 ARG CA . 6823 1 1075 . 1 1 84 84 ARG CB C 13 29.736 0.3 . 1 . . . . 84 ARG CB . 6823 1 1076 . 1 1 84 84 ARG CG C 13 26.670 0.3 . 1 . . . . 84 ARG CG . 6823 1 1077 . 1 1 84 84 ARG CD C 13 43.200 0.3 . 1 . . . . 84 ARG CD . 6823 1 1078 . 1 1 84 84 ARG N N 15 124.261 0.3 . 1 . . . . 84 ARG N . 6823 1 1079 . 1 1 85 85 ASP H H 1 8.681 0.02 . 1 . . . . 85 ASP HN . 6823 1 1080 . 1 1 85 85 ASP HA H 1 5.129 0.02 . 1 . . . . 85 ASP HA . 6823 1 1081 . 1 1 85 85 ASP HB2 H 1 3.030 0.02 . 1 . . . . 85 ASP HB1 . 6823 1 1082 . 1 1 85 85 ASP HB3 H 1 3.030 0.02 . 1 . . . . 85 ASP HB2 . 6823 1 1083 . 1 1 85 85 ASP C C 13 178.746 0.3 . 1 . . . . 85 ASP C . 6823 1 1084 . 1 1 85 85 ASP CA C 13 54.042 0.3 . 1 . . . . 85 ASP CA . 6823 1 1085 . 1 1 85 85 ASP CB C 13 40.425 0.3 . 1 . . . . 85 ASP CB . 6823 1 1086 . 1 1 85 85 ASP N N 15 126.135 0.3 . 1 . . . . 85 ASP N . 6823 1 1087 . 1 1 86 86 ILE H H 1 8.942 0.02 . 1 . . . . 86 ILE HN . 6823 1 1088 . 1 1 86 86 ILE HA H 1 4.620 0.02 . 1 . . . . 86 ILE HA . 6823 1 1089 . 1 1 86 86 ILE HB H 1 2.630 0.02 . 1 . . . . 86 ILE HB . 6823 1 1090 . 1 1 86 86 ILE HG12 H 1 1.500 0.02 . 2 . . . . 86 ILE HG11 . 6823 1 1091 . 1 1 86 86 ILE HG13 H 1 1.470 0.02 . 2 . . . . 86 ILE HG12 . 6823 1 1092 . 1 1 86 86 ILE HG21 H 1 0.800 0.02 . 1 . . . . 86 ILE HG21 . 6823 1 1093 . 1 1 86 86 ILE HG22 H 1 0.800 0.02 . 1 . . . . 86 ILE HG21 . 6823 1 1094 . 1 1 86 86 ILE HG23 H 1 0.800 0.02 . 1 . . . . 86 ILE HG21 . 6823 1 1095 . 1 1 86 86 ILE HD11 H 1 0.800 0.02 . 1 . . . . 86 ILE HD11 . 6823 1 1096 . 1 1 86 86 ILE HD12 H 1 0.800 0.02 . 1 . . . . 86 ILE HD11 . 6823 1 1097 . 1 1 86 86 ILE HD13 H 1 0.800 0.02 . 1 . . . . 86 ILE HD11 . 6823 1 1098 . 1 1 86 86 ILE C C 13 177.707 0.3 . 1 . . . . 86 ILE C . 6823 1 1099 . 1 1 86 86 ILE CA C 13 59.811 0.3 . 1 . . . . 86 ILE CA . 6823 1 1100 . 1 1 86 86 ILE CB C 13 38.291 0.3 . 1 . . . . 86 ILE CB . 6823 1 1101 . 1 1 86 86 ILE CG1 C 13 27.230 0.3 . 1 . . . . 86 ILE CG1 . 6823 1 1102 . 1 1 86 86 ILE CG2 C 13 20.030 0.3 . 1 . . . . 86 ILE CG2 . 6823 1 1103 . 1 1 86 86 ILE CD1 C 13 15.230 0.3 . 1 . . . . 86 ILE CD1 . 6823 1 1104 . 1 1 86 86 ILE N N 15 121.307 0.3 . 1 . . . . 86 ILE N . 6823 1 1105 . 1 1 87 87 ARG H H 1 8.756 0.02 . 1 . . . . 87 ARG HN . 6823 1 1106 . 1 1 87 87 ARG HA H 1 3.630 0.02 . 1 . . . . 87 ARG HA . 6823 1 1107 . 1 1 87 87 ARG HB2 H 1 2.030 0.02 . 2 . . . . 87 ARG HB1 . 6823 1 1108 . 1 1 87 87 ARG HB3 H 1 1.720 0.02 . 2 . . . . 87 ARG HB2 . 6823 1 1109 . 1 1 87 87 ARG HD2 H 1 2.980 0.02 . 1 . . . . 87 ARG HD1 . 6823 1 1110 . 1 1 87 87 ARG HD3 H 1 2.980 0.02 . 1 . . . . 87 ARG HD2 . 6823 1 1111 . 1 1 87 87 ARG HE H 1 7.380 0.02 . 1 . . . . 87 ARG HE . 6823 1 1112 . 1 1 87 87 ARG C C 13 178.528 0.3 . 1 . . . . 87 ARG C . 6823 1 1113 . 1 1 87 87 ARG CA C 13 60.819 0.3 . 1 . . . . 87 ARG CA . 6823 1 1114 . 1 1 87 87 ARG CB C 13 30.035 0.3 . 1 . . . . 87 ARG CB . 6823 1 1115 . 1 1 87 87 ARG CG C 13 28.840 0.3 . 1 . . . . 87 ARG CG . 6823 1 1116 . 1 1 87 87 ARG CD C 13 43.500 0.3 . 1 . . . . 87 ARG CD . 6823 1 1117 . 1 1 87 87 ARG N N 15 121.546 0.3 . 1 . . . . 87 ARG N . 6823 1 1118 . 1 1 88 88 GLY H H 1 8.620 0.02 . 1 . . . . 88 GLY HN . 6823 1 1119 . 1 1 88 88 GLY HA2 H 1 3.790 0.02 . 2 . . . . 88 GLY HA1 . 6823 1 1120 . 1 1 88 88 GLY HA3 H 1 3.460 0.02 . 2 . . . . 88 GLY HA2 . 6823 1 1121 . 1 1 88 88 GLY C C 13 174.908 0.3 . 1 . . . . 88 GLY C . 6823 1 1122 . 1 1 88 88 GLY CA C 13 45.908 0.3 . 1 . . . . 88 GLY CA . 6823 1 1123 . 1 1 88 88 GLY N N 15 103.224 0.3 . 1 . . . . 88 GLY N . 6823 1 1124 . 1 1 89 89 PHE H H 1 7.655 0.02 . 1 . . . . 89 PHE HN . 6823 1 1125 . 1 1 89 89 PHE HA H 1 4.750 0.02 . 1 . . . . 89 PHE HA . 6823 1 1126 . 1 1 89 89 PHE HB2 H 1 2.920 0.02 . 2 . . . . 89 PHE HB1 . 6823 1 1127 . 1 1 89 89 PHE HB3 H 1 3.270 0.02 . 2 . . . . 89 PHE HB2 . 6823 1 1128 . 1 1 89 89 PHE HD1 H 1 7.240 0.02 . 1 . . . . 89 PHE HD1 . 6823 1 1129 . 1 1 89 89 PHE HD2 H 1 7.240 0.02 . 1 . . . . 89 PHE HD2 . 6823 1 1130 . 1 1 89 89 PHE HE1 H 1 6.960 0.02 . 1 . . . . 89 PHE HE1 . 6823 1 1131 . 1 1 89 89 PHE HE2 H 1 6.960 0.02 . 1 . . . . 89 PHE HE2 . 6823 1 1132 . 1 1 89 89 PHE C C 13 176.377 0.3 . 1 . . . . 89 PHE C . 6823 1 1133 . 1 1 89 89 PHE CA C 13 56.341 0.3 . 1 . . . . 89 PHE CA . 6823 1 1134 . 1 1 89 89 PHE CB C 13 39.564 0.3 . 1 . . . . 89 PHE CB . 6823 1 1135 . 1 1 89 89 PHE CD1 C 13 131.410 0.3 . 1 . . . . 89 PHE CD1 . 6823 1 1136 . 1 1 89 89 PHE CD2 C 13 131.410 0.3 . 1 . . . . 89 PHE CD2 . 6823 1 1137 . 1 1 89 89 PHE N N 15 115.546 0.3 . 1 . . . . 89 PHE N . 6823 1 1138 . 1 1 90 90 ILE H H 1 7.437 0.02 . 1 . . . . 90 ILE HN . 6823 1 1139 . 1 1 90 90 ILE HA H 1 4.260 0.02 . 1 . . . . 90 ILE HA . 6823 1 1140 . 1 1 90 90 ILE HB H 1 1.860 0.02 . 1 . . . . 90 ILE HB . 6823 1 1141 . 1 1 90 90 ILE HG12 H 1 0.740 0.02 . 2 . . . . 90 ILE HG11 . 6823 1 1142 . 1 1 90 90 ILE HG13 H 1 1.960 0.02 . 2 . . . . 90 ILE HG12 . 6823 1 1143 . 1 1 90 90 ILE HG21 H 1 0.750 0.02 . 1 . . . . 90 ILE HG21 . 6823 1 1144 . 1 1 90 90 ILE HG22 H 1 0.750 0.02 . 1 . . . . 90 ILE HG21 . 6823 1 1145 . 1 1 90 90 ILE HG23 H 1 0.750 0.02 . 1 . . . . 90 ILE HG21 . 6823 1 1146 . 1 1 90 90 ILE HD11 H 1 0.850 0.02 . 1 . . . . 90 ILE HD11 . 6823 1 1147 . 1 1 90 90 ILE HD12 H 1 0.850 0.02 . 1 . . . . 90 ILE HD11 . 6823 1 1148 . 1 1 90 90 ILE HD13 H 1 0.850 0.02 . 1 . . . . 90 ILE HD11 . 6823 1 1149 . 1 1 90 90 ILE C C 13 175.929 0.3 . 1 . . . . 90 ILE C . 6823 1 1150 . 1 1 90 90 ILE CA C 13 63.736 0.3 . 1 . . . . 90 ILE CA . 6823 1 1151 . 1 1 90 90 ILE CB C 13 36.965 0.3 . 1 . . . . 90 ILE CB . 6823 1 1152 . 1 1 90 90 ILE CG1 C 13 28.550 0.3 . 1 . . . . 90 ILE CG1 . 6823 1 1153 . 1 1 90 90 ILE CG2 C 13 17.590 0.3 . 1 . . . . 90 ILE CG2 . 6823 1 1154 . 1 1 90 90 ILE CD1 C 13 14.310 0.3 . 1 . . . . 90 ILE CD1 . 6823 1 1155 . 1 1 90 90 ILE N N 15 122.101 0.3 . 1 . . . . 90 ILE N . 6823 1 1156 . 1 1 91 91 SER H H 1 8.430 0.02 . 1 . . . . 91 SER HN . 6823 1 1157 . 1 1 91 91 SER HA H 1 4.876 0.02 . 1 . . . . 91 SER HA . 6823 1 1158 . 1 1 91 91 SER HB2 H 1 3.880 0.02 . 2 . . . . 91 SER HB1 . 6823 1 1159 . 1 1 91 91 SER HB3 H 1 3.340 0.02 . 2 . . . . 91 SER HB2 . 6823 1 1160 . 1 1 91 91 SER C C 13 173.861 0.3 . 1 . . . . 91 SER C . 6823 1 1161 . 1 1 91 91 SER CA C 13 56.667 0.3 . 1 . . . . 91 SER CA . 6823 1 1162 . 1 1 91 91 SER CB C 13 65.740 0.3 . 1 . . . . 91 SER CB . 6823 1 1163 . 1 1 91 91 SER N N 15 122.679 0.3 . 1 . . . . 91 SER N . 6823 1 1164 . 1 1 92 92 GLU H H 1 8.945 0.02 . 1 . . . . 92 GLU HN . 6823 1 1165 . 1 1 92 92 GLU HA H 1 4.559 0.02 . 1 . . . . 92 GLU HA . 6823 1 1166 . 1 1 92 92 GLU HB2 H 1 2.400 0.02 . 2 . . . . 92 GLU HB1 . 6823 1 1167 . 1 1 92 92 GLU HB3 H 1 2.340 0.02 . 2 . . . . 92 GLU HB2 . 6823 1 1168 . 1 1 92 92 GLU HG2 H 1 2.060 0.02 . 2 . . . . 92 GLU HG1 . 6823 1 1169 . 1 1 92 92 GLU HG3 H 1 2.350 0.02 . 2 . . . . 92 GLU HG2 . 6823 1 1170 . 1 1 92 92 GLU C C 13 175.479 0.3 . 1 . . . . 92 GLU C . 6823 1 1171 . 1 1 92 92 GLU CA C 13 55.410 0.3 . 1 . . . . 92 GLU CA . 6823 1 1172 . 1 1 92 92 GLU CB C 13 30.246 0.3 . 1 . . . . 92 GLU CB . 6823 1 1173 . 1 1 92 92 GLU CG C 13 36.340 0.3 . 1 . . . . 92 GLU CG . 6823 1 1174 . 1 1 92 92 GLU N N 15 124.285 0.3 . 1 . . . . 92 GLU N . 6823 1 1175 . 1 1 93 93 ASP H H 1 8.416 0.02 . 1 . . . . 93 ASP HN . 6823 1 1176 . 1 1 93 93 ASP HA H 1 4.820 0.02 . 1 . . . . 93 ASP HA . 6823 1 1177 . 1 1 93 93 ASP HB2 H 1 2.770 0.02 . 2 . . . . 93 ASP HB1 . 6823 1 1178 . 1 1 93 93 ASP HB3 H 1 2.480 0.02 . 2 . . . . 93 ASP HB2 . 6823 1 1179 . 1 1 93 93 ASP C C 13 174.282 0.3 . 1 . . . . 93 ASP C . 6823 1 1180 . 1 1 93 93 ASP CA C 13 53.609 0.3 . 1 . . . . 93 ASP CA . 6823 1 1181 . 1 1 93 93 ASP CB C 13 39.897 0.3 . 1 . . . . 93 ASP CB . 6823 1 1182 . 1 1 93 93 ASP N N 15 123.053 0.3 . 1 . . . . 93 ASP N . 6823 1 1183 . 1 1 94 94 LEU H H 1 7.691 0.02 . 1 . . . . 94 LEU HN . 6823 1 1184 . 1 1 94 94 LEU HA H 1 3.770 0.02 . 1 . . . . 94 LEU HA . 6823 1 1185 . 1 1 94 94 LEU HB2 H 1 0.870 0.02 . 2 . . . . 94 LEU HB1 . 6823 1 1186 . 1 1 94 94 LEU HB3 H 1 1.020 0.02 . 2 . . . . 94 LEU HB2 . 6823 1 1187 . 1 1 94 94 LEU HG H 1 1.350 0.02 . 1 . . . . 94 LEU HG . 6823 1 1188 . 1 1 94 94 LEU HD11 H 1 0.590 0.02 . 2 . . . . 94 LEU HD1 . 6823 1 1189 . 1 1 94 94 LEU HD12 H 1 0.590 0.02 . 2 . . . . 94 LEU HD1 . 6823 1 1190 . 1 1 94 94 LEU HD13 H 1 0.590 0.02 . 2 . . . . 94 LEU HD1 . 6823 1 1191 . 1 1 94 94 LEU HD21 H 1 0.500 0.02 . 2 . . . . 94 LEU HD2 . 6823 1 1192 . 1 1 94 94 LEU HD22 H 1 0.500 0.02 . 2 . . . . 94 LEU HD2 . 6823 1 1193 . 1 1 94 94 LEU HD23 H 1 0.500 0.02 . 2 . . . . 94 LEU HD2 . 6823 1 1194 . 1 1 94 94 LEU C C 13 176.677 0.3 . 1 . . . . 94 LEU C . 6823 1 1195 . 1 1 94 94 LEU CA C 13 54.998 0.3 . 1 . . . . 94 LEU CA . 6823 1 1196 . 1 1 94 94 LEU CB C 13 42.458 0.3 . 1 . . . . 94 LEU CB . 6823 1 1197 . 1 1 94 94 LEU CG C 13 26.330 0.3 . 1 . . . . 94 LEU CG . 6823 1 1198 . 1 1 94 94 LEU CD1 C 13 25.320 0.3 . 1 . . . . 94 LEU CD1 . 6823 1 1199 . 1 1 94 94 LEU CD2 C 13 25.320 0.3 . 1 . . . . 94 LEU CD2 . 6823 1 1200 . 1 1 94 94 LEU N N 15 120.265 0.3 . 1 . . . . 94 LEU N . 6823 1 1201 . 1 1 95 95 GLU H H 1 7.949 0.02 . 1 . . . . 95 GLU HN . 6823 1 1202 . 1 1 95 95 GLU HA H 1 3.950 0.02 . 1 . . . . 95 GLU HA . 6823 1 1203 . 1 1 95 95 GLU HB2 H 1 2.010 0.02 . 2 . . . . 95 GLU HB1 . 6823 1 1204 . 1 1 95 95 GLU HB3 H 1 1.950 0.02 . 2 . . . . 95 GLU HB2 . 6823 1 1205 . 1 1 95 95 GLU HG2 H 1 2.350 0.02 . 2 . . . . 95 GLU HG1 . 6823 1 1206 . 1 1 95 95 GLU HG3 H 1 2.280 0.02 . 2 . . . . 95 GLU HG2 . 6823 1 1207 . 1 1 95 95 GLU C C 13 178.769 0.3 . 1 . . . . 95 GLU C . 6823 1 1208 . 1 1 95 95 GLU CA C 13 58.652 0.3 . 1 . . . . 95 GLU CA . 6823 1 1209 . 1 1 95 95 GLU CB C 13 29.264 0.3 . 1 . . . . 95 GLU CB . 6823 1 1210 . 1 1 95 95 GLU CG C 13 35.760 0.3 . 1 . . . . 95 GLU CG . 6823 1 1211 . 1 1 95 95 GLU N N 15 119.290 0.3 . 1 . . . . 95 GLU N . 6823 1 1212 . 1 1 96 96 GLY H H 1 8.919 0.02 . 1 . . . . 96 GLY HN . 6823 1 1213 . 1 1 96 96 GLY HA2 H 1 4.060 0.02 . 2 . . . . 96 GLY HA1 . 6823 1 1214 . 1 1 96 96 GLY HA3 H 1 3.730 0.02 . 2 . . . . 96 GLY HA2 . 6823 1 1215 . 1 1 96 96 GLY C C 13 173.955 0.3 . 1 . . . . 96 GLY C . 6823 1 1216 . 1 1 96 96 GLY CA C 13 46.056 0.3 . 1 . . . . 96 GLY CA . 6823 1 1217 . 1 1 96 96 GLY N N 15 113.444 0.3 . 1 . . . . 96 GLY N . 6823 1 1218 . 1 1 97 97 VAL H H 1 7.417 0.02 . 1 . . . . 97 VAL HN . 6823 1 1219 . 1 1 97 97 VAL HA H 1 3.958 0.02 . 1 . . . . 97 VAL HA . 6823 1 1220 . 1 1 97 97 VAL HB H 1 1.870 0.02 . 1 . . . . 97 VAL HB . 6823 1 1221 . 1 1 97 97 VAL HG11 H 1 0.800 0.02 . 2 . . . . 97 VAL HG1 . 6823 1 1222 . 1 1 97 97 VAL HG12 H 1 0.800 0.02 . 2 . . . . 97 VAL HG1 . 6823 1 1223 . 1 1 97 97 VAL HG13 H 1 0.800 0.02 . 2 . . . . 97 VAL HG1 . 6823 1 1224 . 1 1 97 97 VAL HG21 H 1 0.800 0.02 . 2 . . . . 97 VAL HG2 . 6823 1 1225 . 1 1 97 97 VAL HG22 H 1 0.800 0.02 . 2 . . . . 97 VAL HG2 . 6823 1 1226 . 1 1 97 97 VAL HG23 H 1 0.800 0.02 . 2 . . . . 97 VAL HG2 . 6823 1 1227 . 1 1 97 97 VAL C C 13 175.151 0.3 . 1 . . . . 97 VAL C . 6823 1 1228 . 1 1 97 97 VAL CA C 13 62.019 0.3 . 1 . . . . 97 VAL CA . 6823 1 1229 . 1 1 97 97 VAL CB C 13 33.185 0.3 . 1 . . . . 97 VAL CB . 6823 1 1230 . 1 1 97 97 VAL CG1 C 13 21.850 0.3 . 1 . . . . 97 VAL CG1 . 6823 1 1231 . 1 1 97 97 VAL CG2 C 13 21.850 0.3 . 1 . . . . 97 VAL CG2 . 6823 1 1232 . 1 1 97 97 VAL N N 15 119.679 0.3 . 1 . . . . 97 VAL N . 6823 1 1233 . 1 1 98 98 ASP H H 1 8.279 0.02 . 1 . . . . 98 ASP HN . 6823 1 1234 . 1 1 98 98 ASP HA H 1 4.341 0.02 . 1 . . . . 98 ASP HA . 6823 1 1235 . 1 1 98 98 ASP HB2 H 1 2.610 0.02 . 2 . . . . 98 ASP HB1 . 6823 1 1236 . 1 1 98 98 ASP HB3 H 1 2.520 0.02 . 2 . . . . 98 ASP HB2 . 6823 1 1237 . 1 1 98 98 ASP C C 13 174.927 0.3 . 1 . . . . 98 ASP C . 6823 1 1238 . 1 1 98 98 ASP CA C 13 54.416 0.3 . 1 . . . . 98 ASP CA . 6823 1 1239 . 1 1 98 98 ASP CB C 13 41.179 0.3 . 1 . . . . 98 ASP CB . 6823 1 1240 . 1 1 98 98 ASP N N 15 126.697 0.3 . 1 . . . . 98 ASP N . 6823 1 1241 . 1 1 99 99 ALA H H 1 8.070 0.02 . 1 . . . . 99 ALA HN . 6823 1 1242 . 1 1 99 99 ALA HA H 1 4.840 0.02 . 1 . . . . 99 ALA HA . 6823 1 1243 . 1 1 99 99 ALA HB1 H 1 1.280 0.02 . 1 . . . . 99 ALA HB . 6823 1 1244 . 1 1 99 99 ALA HB2 H 1 1.280 0.02 . 1 . . . . 99 ALA HB . 6823 1 1245 . 1 1 99 99 ALA HB3 H 1 1.280 0.02 . 1 . . . . 99 ALA HB . 6823 1 1246 . 1 1 99 99 ALA C C 13 176.088 0.3 . 1 . . . . 99 ALA C . 6823 1 1247 . 1 1 99 99 ALA CA C 13 51.149 0.3 . 1 . . . . 99 ALA CA . 6823 1 1248 . 1 1 99 99 ALA CB C 13 23.302 0.3 . 1 . . . . 99 ALA CB . 6823 1 1249 . 1 1 99 99 ALA N N 15 127.412 0.3 . 1 . . . . 99 ALA N . 6823 1 1250 . 1 1 100 100 THR H H 1 9.383 0.02 . 1 . . . . 100 THR HN . 6823 1 1251 . 1 1 100 100 THR HA H 1 4.960 0.02 . 1 . . . . 100 THR HA . 6823 1 1252 . 1 1 100 100 THR HB H 1 3.630 0.02 . 1 . . . . 100 THR HB . 6823 1 1253 . 1 1 100 100 THR HG21 H 1 0.950 0.02 . 1 . . . . 100 THR HG2 . 6823 1 1254 . 1 1 100 100 THR HG22 H 1 0.950 0.02 . 1 . . . . 100 THR HG2 . 6823 1 1255 . 1 1 100 100 THR HG23 H 1 0.950 0.02 . 1 . . . . 100 THR HG2 . 6823 1 1256 . 1 1 100 100 THR C C 13 171.774 0.3 . 1 . . . . 100 THR C . 6823 1 1257 . 1 1 100 100 THR CA C 13 61.138 0.3 . 1 . . . . 100 THR CA . 6823 1 1258 . 1 1 100 100 THR CB C 13 72.315 0.3 . 1 . . . . 100 THR CB . 6823 1 1259 . 1 1 100 100 THR CG2 C 13 23.230 0.3 . 1 . . . . 100 THR CG2 . 6823 1 1260 . 1 1 100 100 THR N N 15 118.453 0.3 . 1 . . . . 100 THR N . 6823 1 1261 . 1 1 101 101 LEU H H 1 9.459 0.02 . 1 . . . . 101 LEU HN . 6823 1 1262 . 1 1 101 101 LEU HA H 1 5.143 0.02 . 1 . . . . 101 LEU HA . 6823 1 1263 . 1 1 101 101 LEU HB2 H 1 1.390 0.02 . 2 . . . . 101 LEU HB1 . 6823 1 1264 . 1 1 101 101 LEU HB3 H 1 0.720 0.02 . 2 . . . . 101 LEU HB2 . 6823 1 1265 . 1 1 101 101 LEU HG H 1 0.950 0.02 . 1 . . . . 101 LEU HG . 6823 1 1266 . 1 1 101 101 LEU HD11 H 1 0.600 0.02 . 2 . . . . 101 LEU HD1 . 6823 1 1267 . 1 1 101 101 LEU HD12 H 1 0.600 0.02 . 2 . . . . 101 LEU HD1 . 6823 1 1268 . 1 1 101 101 LEU HD13 H 1 0.600 0.02 . 2 . . . . 101 LEU HD1 . 6823 1 1269 . 1 1 101 101 LEU HD21 H 1 0.370 0.02 . 2 . . . . 101 LEU HD2 . 6823 1 1270 . 1 1 101 101 LEU HD22 H 1 0.370 0.02 . 2 . . . . 101 LEU HD2 . 6823 1 1271 . 1 1 101 101 LEU HD23 H 1 0.370 0.02 . 2 . . . . 101 LEU HD2 . 6823 1 1272 . 1 1 101 101 LEU C C 13 174.886 0.3 . 1 . . . . 101 LEU C . 6823 1 1273 . 1 1 101 101 LEU CA C 13 52.985 0.3 . 1 . . . . 101 LEU CA . 6823 1 1274 . 1 1 101 101 LEU CB C 13 46.770 0.3 . 1 . . . . 101 LEU CB . 6823 1 1275 . 1 1 101 101 LEU CG C 13 27.270 0.3 . 1 . . . . 101 LEU CG . 6823 1 1276 . 1 1 101 101 LEU CD1 C 13 24.260 0.3 . 1 . . . . 101 LEU CD1 . 6823 1 1277 . 1 1 101 101 LEU CD2 C 13 25.100 0.3 . 1 . . . . 101 LEU CD2 . 6823 1 1278 . 1 1 101 101 LEU N N 15 127.577 0.3 . 1 . . . . 101 LEU N . 6823 1 1279 . 1 1 102 102 VAL H H 1 8.958 0.02 . 1 . . . . 102 VAL HN . 6823 1 1280 . 1 1 102 102 VAL HA H 1 4.671 0.02 . 1 . . . . 102 VAL HA . 6823 1 1281 . 1 1 102 102 VAL HB H 1 1.980 0.02 . 1 . . . . 102 VAL HB . 6823 1 1282 . 1 1 102 102 VAL HG11 H 1 0.800 0.02 . 2 . . . . 102 VAL HG1 . 6823 1 1283 . 1 1 102 102 VAL HG12 H 1 0.800 0.02 . 2 . . . . 102 VAL HG1 . 6823 1 1284 . 1 1 102 102 VAL HG13 H 1 0.800 0.02 . 2 . . . . 102 VAL HG1 . 6823 1 1285 . 1 1 102 102 VAL HG21 H 1 0.850 0.02 . 2 . . . . 102 VAL HG2 . 6823 1 1286 . 1 1 102 102 VAL HG22 H 1 0.850 0.02 . 2 . . . . 102 VAL HG2 . 6823 1 1287 . 1 1 102 102 VAL HG23 H 1 0.850 0.02 . 2 . . . . 102 VAL HG2 . 6823 1 1288 . 1 1 102 102 VAL C C 13 174.229 0.3 . 1 . . . . 102 VAL C . 6823 1 1289 . 1 1 102 102 VAL CA C 13 61.658 0.3 . 1 . . . . 102 VAL CA . 6823 1 1290 . 1 1 102 102 VAL CB C 13 32.697 0.3 . 1 . . . . 102 VAL CB . 6823 1 1291 . 1 1 102 102 VAL CG1 C 13 22.790 0.3 . 1 . . . . 102 VAL CG1 . 6823 1 1292 . 1 1 102 102 VAL CG2 C 13 22.790 0.3 . 1 . . . . 102 VAL CG2 . 6823 1 1293 . 1 1 102 102 VAL N N 15 127.548 0.3 . 1 . . . . 102 VAL N . 6823 1 1294 . 1 1 103 103 VAL H H 1 9.536 0.02 . 1 . . . . 103 VAL HN . 6823 1 1295 . 1 1 103 103 VAL HA H 1 4.144 0.02 . 1 . . . . 103 VAL HA . 6823 1 1296 . 1 1 103 103 VAL HB H 1 1.930 0.02 . 1 . . . . 103 VAL HB . 6823 1 1297 . 1 1 103 103 VAL HG11 H 1 1.260 0.02 . 2 . . . . 103 VAL HG1 . 6823 1 1298 . 1 1 103 103 VAL HG12 H 1 1.260 0.02 . 2 . . . . 103 VAL HG1 . 6823 1 1299 . 1 1 103 103 VAL HG13 H 1 1.260 0.02 . 2 . . . . 103 VAL HG1 . 6823 1 1300 . 1 1 103 103 VAL HG21 H 1 0.660 0.02 . 2 . . . . 103 VAL HG2 . 6823 1 1301 . 1 1 103 103 VAL HG22 H 1 0.660 0.02 . 2 . . . . 103 VAL HG2 . 6823 1 1302 . 1 1 103 103 VAL HG23 H 1 0.660 0.02 . 2 . . . . 103 VAL HG2 . 6823 1 1303 . 1 1 103 103 VAL C C 13 171.746 0.3 . 1 . . . . 103 VAL C . 6823 1 1304 . 1 1 103 103 VAL CA C 13 61.497 0.3 . 1 . . . . 103 VAL CA . 6823 1 1305 . 1 1 103 103 VAL CB C 13 34.559 0.3 . 1 . . . . 103 VAL CB . 6823 1 1306 . 1 1 103 103 VAL CG1 C 13 24.830 0.3 . 1 . . . . 103 VAL CG1 . 6823 1 1307 . 1 1 103 103 VAL CG2 C 13 21.690 0.3 . 1 . . . . 103 VAL CG2 . 6823 1 1308 . 1 1 103 103 VAL N N 15 128.672 0.3 . 1 . . . . 103 VAL N . 6823 1 1309 . 1 1 104 104 HIS H H 1 8.980 0.02 . 1 . . . . 104 HIS HN . 6823 1 1310 . 1 1 104 104 HIS HA H 1 5.460 0.02 . 1 . . . . 104 HIS HA . 6823 1 1311 . 1 1 104 104 HIS HB2 H 1 2.970 0.02 . 2 . . . . 104 HIS HB1 . 6823 1 1312 . 1 1 104 104 HIS HB3 H 1 2.450 0.02 . 2 . . . . 104 HIS HB2 . 6823 1 1313 . 1 1 104 104 HIS HD2 H 1 6.720 0.02 . 3 . . . . 104 HIS HD2 . 6823 1 1314 . 1 1 104 104 HIS HE1 H 1 7.570 0.02 . 3 . . . . 104 HIS HE1 . 6823 1 1315 . 1 1 104 104 HIS C C 13 172.030 0.3 . 1 . . . . 104 HIS C . 6823 1 1316 . 1 1 104 104 HIS CA C 13 55.040 0.3 . 1 . . . . 104 HIS CA . 6823 1 1317 . 1 1 104 104 HIS CB C 13 32.750 0.3 . 1 . . . . 104 HIS CB . 6823 1 1318 . 1 1 104 104 HIS CD2 C 13 116.500 0.3 . 1 . . . . 104 HIS CD2 . 6823 1 1319 . 1 1 104 104 HIS CE1 C 13 138.250 0.3 . 1 . . . . 104 HIS CE1 . 6823 1 1320 . 1 1 104 104 HIS N N 15 127.500 0.3 . 1 . . . . 104 HIS N . 6823 1 1321 . 1 1 105 105 SER H H 1 7.298 0.02 . 1 . . . . 105 SER HN . 6823 1 1322 . 1 1 105 105 SER HA H 1 4.110 0.02 . 1 . . . . 105 SER HA . 6823 1 1323 . 1 1 105 105 SER HB2 H 1 3.980 0.02 . 2 . . . . 105 SER HB1 . 6823 1 1324 . 1 1 105 105 SER HB3 H 1 3.500 0.02 . 2 . . . . 105 SER HB2 . 6823 1 1325 . 1 1 105 105 SER C C 13 172.817 0.3 . 1 . . . . 105 SER C . 6823 1 1326 . 1 1 105 105 SER CA C 13 58.020 0.3 . 1 . . . . 105 SER CA . 6823 1 1327 . 1 1 105 105 SER CB C 13 63.166 0.3 . 1 . . . . 105 SER CB . 6823 1 1328 . 1 1 105 105 SER N N 15 111.203 0.3 . 1 . . . . 105 SER N . 6823 1 1329 . 1 1 106 106 ASN H H 1 9.405 0.02 . 1 . . . . 106 ASN HN . 6823 1 1330 . 1 1 106 106 ASN HA H 1 4.019 0.02 . 1 . . . . 106 ASN HA . 6823 1 1331 . 1 1 106 106 ASN HB2 H 1 3.040 0.02 . 2 . . . . 106 ASN HB1 . 6823 1 1332 . 1 1 106 106 ASN HB3 H 1 2.790 0.02 . 2 . . . . 106 ASN HB2 . 6823 1 1333 . 1 1 106 106 ASN C C 13 174.027 0.3 . 1 . . . . 106 ASN C . 6823 1 1334 . 1 1 106 106 ASN CA C 13 55.464 0.3 . 1 . . . . 106 ASN CA . 6823 1 1335 . 1 1 106 106 ASN CB C 13 38.134 0.3 . 1 . . . . 106 ASN CB . 6823 1 1336 . 1 1 106 106 ASN N N 15 117.706 0.3 . 1 . . . . 106 ASN N . 6823 1 1337 . 1 1 107 107 ASN H H 1 8.410 0.02 . 1 . . . . 107 ASN HN . 6823 1 1338 . 1 1 107 107 ASN HA H 1 4.540 0.02 . 1 . . . . 107 ASN HA . 6823 1 1339 . 1 1 107 107 ASN HB2 H 1 2.360 0.02 . 2 . . . . 107 ASN HB1 . 6823 1 1340 . 1 1 107 107 ASN HB3 H 1 2.450 0.02 . 2 . . . . 107 ASN HB2 . 6823 1 1341 . 1 1 107 107 ASN HD21 H 1 7.400 0.02 . 2 . . . . 107 ASN HD21 . 6823 1 1342 . 1 1 107 107 ASN HD22 H 1 6.510 0.02 . 2 . . . . 107 ASN HD22 . 6823 1 1343 . 1 1 107 107 ASN C C 13 173.606 0.3 . 1 . . . . 107 ASN C . 6823 1 1344 . 1 1 107 107 ASN CA C 13 53.648 0.3 . 1 . . . . 107 ASN CA . 6823 1 1345 . 1 1 107 107 ASN CB C 13 36.271 0.3 . 1 . . . . 107 ASN CB . 6823 1 1346 . 1 1 107 107 ASN CG C 13 175.720 0.3 . 1 . . . . 107 ASN CG . 6823 1 1347 . 1 1 107 107 ASN N N 15 117.125 0.3 . 1 . . . . 107 ASN N . 6823 1 1348 . 1 1 107 107 ASN ND2 N 15 109.780 0.3 . 1 . . . . 107 ASN ND2 . 6823 1 1349 . 1 1 108 108 PHE H H 1 8.081 0.02 . 1 . . . . 108 PHE HN . 6823 1 1350 . 1 1 108 108 PHE HA H 1 4.751 0.02 . 1 . . . . 108 PHE HA . 6823 1 1351 . 1 1 108 108 PHE HB2 H 1 2.950 0.02 . 2 . . . . 108 PHE HB1 . 6823 1 1352 . 1 1 108 108 PHE HB3 H 1 3.150 0.02 . 2 . . . . 108 PHE HB2 . 6823 1 1353 . 1 1 108 108 PHE HD1 H 1 7.190 0.02 . 1 . . . . 108 PHE HD1 . 6823 1 1354 . 1 1 108 108 PHE HD2 H 1 7.190 0.02 . 1 . . . . 108 PHE HD2 . 6823 1 1355 . 1 1 108 108 PHE HE1 H 1 7.530 0.02 . 1 . . . . 108 PHE HE1 . 6823 1 1356 . 1 1 108 108 PHE HE2 H 1 7.530 0.02 . 1 . . . . 108 PHE HE2 . 6823 1 1357 . 1 1 108 108 PHE HZ H 1 6.940 0.02 . 1 . . . . 108 PHE HZ . 6823 1 1358 . 1 1 108 108 PHE C C 13 174.948 0.3 . 1 . . . . 108 PHE C . 6823 1 1359 . 1 1 108 108 PHE CA C 13 56.107 0.3 . 1 . . . . 108 PHE CA . 6823 1 1360 . 1 1 108 108 PHE CB C 13 38.390 0.3 . 1 . . . . 108 PHE CB . 6823 1 1361 . 1 1 108 108 PHE CD1 C 13 132.250 0.3 . 3 . . . . 108 PHE CD1 . 6823 1 1362 . 1 1 108 108 PHE CD2 C 13 132.260 0.3 . 3 . . . . 108 PHE CD2 . 6823 1 1363 . 1 1 108 108 PHE CE1 C 13 132.030 0.3 . 1 . . . . 108 PHE CE1 . 6823 1 1364 . 1 1 108 108 PHE CE2 C 13 132.030 0.3 . 1 . . . . 108 PHE CE2 . 6823 1 1365 . 1 1 108 108 PHE CZ C 13 128.930 0.3 . 1 . . . . 108 PHE CZ . 6823 1 1366 . 1 1 108 108 PHE N N 15 122.225 0.3 . 1 . . . . 108 PHE N . 6823 1 1367 . 1 1 109 109 THR H H 1 7.051 0.02 . 1 . . . . 109 THR HN . 6823 1 1368 . 1 1 109 109 THR HA H 1 4.330 0.02 . 1 . . . . 109 THR HA . 6823 1 1369 . 1 1 109 109 THR HB H 1 4.100 0.02 . 1 . . . . 109 THR HB . 6823 1 1370 . 1 1 109 109 THR HG21 H 1 0.820 0.02 . 1 . . . . 109 THR HG2 . 6823 1 1371 . 1 1 109 109 THR HG22 H 1 0.820 0.02 . 1 . . . . 109 THR HG2 . 6823 1 1372 . 1 1 109 109 THR HG23 H 1 0.820 0.02 . 1 . . . . 109 THR HG2 . 6823 1 1373 . 1 1 109 109 THR CA C 13 60.385 0.3 . 1 . . . . 109 THR CA . 6823 1 1374 . 1 1 109 109 THR CG2 C 13 21.960 0.3 . 1 . . . . 109 THR CG2 . 6823 1 1375 . 1 1 109 109 THR N N 15 107.974 0.3 . 1 . . . . 109 THR N . 6823 1 1376 . 1 1 110 110 ASN HA H 1 4.290 0.02 . 1 . . . . 110 ASN HA . 6823 1 1377 . 1 1 110 110 ASN HB2 H 1 2.740 0.02 . 1 . . . . 110 ASN HB1 . 6823 1 1378 . 1 1 110 110 ASN HB3 H 1 2.740 0.02 . 1 . . . . 110 ASN HB2 . 6823 1 1379 . 1 1 110 110 ASN HD21 H 1 7.660 0.02 . 2 . . . . 110 ASN HD21 . 6823 1 1380 . 1 1 110 110 ASN HD22 H 1 6.880 0.02 . 2 . . . . 110 ASN HD22 . 6823 1 1381 . 1 1 110 110 ASN C C 13 174.694 0.3 . 1 . . . . 110 ASN C . 6823 1 1382 . 1 1 110 110 ASN CA C 13 54.943 0.3 . 1 . . . . 110 ASN CA . 6823 1 1383 . 1 1 110 110 ASN CB C 13 39.106 0.3 . 1 . . . . 110 ASN CB . 6823 1 1384 . 1 1 110 110 ASN ND2 N 15 114.380 0.3 . 1 . . . . 110 ASN ND2 . 6823 1 1385 . 1 1 111 111 THR H H 1 8.836 0.02 . 1 . . . . 111 THR HN . 6823 1 1386 . 1 1 111 111 THR HA H 1 4.381 0.02 . 1 . . . . 111 THR HA . 6823 1 1387 . 1 1 111 111 THR HB H 1 3.930 0.02 . 1 . . . . 111 THR HB . 6823 1 1388 . 1 1 111 111 THR HG21 H 1 1.110 0.02 . 1 . . . . 111 THR HG2 . 6823 1 1389 . 1 1 111 111 THR HG22 H 1 1.110 0.02 . 1 . . . . 111 THR HG2 . 6823 1 1390 . 1 1 111 111 THR HG23 H 1 1.110 0.02 . 1 . . . . 111 THR HG2 . 6823 1 1391 . 1 1 111 111 THR C C 13 171.531 0.3 . 1 . . . . 111 THR C . 6823 1 1392 . 1 1 111 111 THR CA C 13 64.691 0.3 . 1 . . . . 111 THR CA . 6823 1 1393 . 1 1 111 111 THR CB C 13 71.254 0.3 . 1 . . . . 111 THR CB . 6823 1 1394 . 1 1 111 111 THR CG2 C 13 20.360 0.3 . 1 . . . . 111 THR CG2 . 6823 1 1395 . 1 1 111 111 THR N N 15 115.413 0.3 . 1 . . . . 111 THR N . 6823 1 1396 . 1 1 112 112 ILE H H 1 8.500 0.02 . 1 . . . . 112 ILE HN . 6823 1 1397 . 1 1 112 112 ILE HA H 1 4.548 0.02 . 1 . . . . 112 ILE HA . 6823 1 1398 . 1 1 112 112 ILE HB H 1 1.740 0.02 . 1 . . . . 112 ILE HB . 6823 1 1399 . 1 1 112 112 ILE HG12 H 1 0.770 0.02 . 2 . . . . 112 ILE HG11 . 6823 1 1400 . 1 1 112 112 ILE HG13 H 1 1.500 0.02 . 2 . . . . 112 ILE HG12 . 6823 1 1401 . 1 1 112 112 ILE HG21 H 1 0.650 0.02 . 1 . . . . 112 ILE HG21 . 6823 1 1402 . 1 1 112 112 ILE HG22 H 1 0.650 0.02 . 1 . . . . 112 ILE HG21 . 6823 1 1403 . 1 1 112 112 ILE HG23 H 1 0.650 0.02 . 1 . . . . 112 ILE HG21 . 6823 1 1404 . 1 1 112 112 ILE HD11 H 1 0.770 0.02 . 1 . . . . 112 ILE HD11 . 6823 1 1405 . 1 1 112 112 ILE HD12 H 1 0.770 0.02 . 1 . . . . 112 ILE HD11 . 6823 1 1406 . 1 1 112 112 ILE HD13 H 1 0.770 0.02 . 1 . . . . 112 ILE HD11 . 6823 1 1407 . 1 1 112 112 ILE C C 13 175.255 0.3 . 1 . . . . 112 ILE C . 6823 1 1408 . 1 1 112 112 ILE CA C 13 60.711 0.3 . 1 . . . . 112 ILE CA . 6823 1 1409 . 1 1 112 112 ILE CB C 13 39.106 0.3 . 1 . . . . 112 ILE CB . 6823 1 1410 . 1 1 112 112 ILE CG1 C 13 27.800 0.3 . 1 . . . . 112 ILE CG1 . 6823 1 1411 . 1 1 112 112 ILE CG2 C 13 18.800 0.3 . 1 . . . . 112 ILE CG2 . 6823 1 1412 . 1 1 112 112 ILE CD1 C 13 13.340 0.3 . 1 . . . . 112 ILE CD1 . 6823 1 1413 . 1 1 112 112 ILE N N 15 127.808 0.3 . 1 . . . . 112 ILE N . 6823 1 1414 . 1 1 113 113 LEU H H 1 9.097 0.02 . 1 . . . . 113 LEU HN . 6823 1 1415 . 1 1 113 113 LEU HA H 1 4.594 0.02 . 1 . . . . 113 LEU HA . 6823 1 1416 . 1 1 113 113 LEU HB2 H 1 0.650 0.02 . 2 . . . . 113 LEU HB1 . 6823 1 1417 . 1 1 113 113 LEU HB3 H 1 1.350 0.02 . 2 . . . . 113 LEU HB2 . 6823 1 1418 . 1 1 113 113 LEU HG H 1 0.700 0.02 . 1 . . . . 113 LEU HG . 6823 1 1419 . 1 1 113 113 LEU HD11 H 1 0.450 0.02 . 2 . . . . 113 LEU HD1 . 6823 1 1420 . 1 1 113 113 LEU HD12 H 1 0.450 0.02 . 2 . . . . 113 LEU HD1 . 6823 1 1421 . 1 1 113 113 LEU HD13 H 1 0.450 0.02 . 2 . . . . 113 LEU HD1 . 6823 1 1422 . 1 1 113 113 LEU HD21 H 1 0.750 0.02 . 2 . . . . 113 LEU HD2 . 6823 1 1423 . 1 1 113 113 LEU HD22 H 1 0.750 0.02 . 2 . . . . 113 LEU HD2 . 6823 1 1424 . 1 1 113 113 LEU HD23 H 1 0.750 0.02 . 2 . . . . 113 LEU HD2 . 6823 1 1425 . 1 1 113 113 LEU C C 13 175.774 0.3 . 1 . . . . 113 LEU C . 6823 1 1426 . 1 1 113 113 LEU CA C 13 52.722 0.3 . 1 . . . . 113 LEU CA . 6823 1 1427 . 1 1 113 113 LEU CB C 13 43.637 0.3 . 1 . . . . 113 LEU CB . 6823 1 1428 . 1 1 113 113 LEU CG C 13 24.630 0.3 . 1 . . . . 113 LEU CG . 6823 1 1429 . 1 1 113 113 LEU CD1 C 13 24.930 0.3 . 1 . . . . 113 LEU CD1 . 6823 1 1430 . 1 1 113 113 LEU CD2 C 13 22.320 0.3 . 1 . . . . 113 LEU CD2 . 6823 1 1431 . 1 1 113 113 LEU N N 15 127.817 0.3 . 1 . . . . 113 LEU N . 6823 1 1432 . 1 1 114 114 GLU H H 1 8.518 0.02 . 1 . . . . 114 GLU HN . 6823 1 1433 . 1 1 114 114 GLU HA H 1 4.717 0.02 . 1 . . . . 114 GLU HA . 6823 1 1434 . 1 1 114 114 GLU HB2 H 1 2.080 0.02 . 2 . . . . 114 GLU HB1 . 6823 1 1435 . 1 1 114 114 GLU HB3 H 1 1.900 0.02 . 2 . . . . 114 GLU HB2 . 6823 1 1436 . 1 1 114 114 GLU HG2 H 1 2.180 0.02 . 2 . . . . 114 GLU HG1 . 6823 1 1437 . 1 1 114 114 GLU HG3 H 1 2.290 0.02 . 2 . . . . 114 GLU HG2 . 6823 1 1438 . 1 1 114 114 GLU C C 13 176.465 0.3 . 1 . . . . 114 GLU C . 6823 1 1439 . 1 1 114 114 GLU CA C 13 55.124 0.3 . 1 . . . . 114 GLU CA . 6823 1 1440 . 1 1 114 114 GLU CB C 13 27.842 0.3 . 1 . . . . 114 GLU CB . 6823 1 1441 . 1 1 114 114 GLU CG C 13 34.910 0.3 . 1 . . . . 114 GLU CG . 6823 1 1442 . 1 1 114 114 GLU N N 15 123.089 0.3 . 1 . . . . 114 GLU N . 6823 1 1443 . 1 1 115 115 VAL H H 1 7.292 0.02 . 1 . . . . 115 VAL HN . 6823 1 1444 . 1 1 115 115 VAL HA H 1 4.187 0.02 . 1 . . . . 115 VAL HA . 6823 1 1445 . 1 1 115 115 VAL HB H 1 2.040 0.02 . 1 . . . . 115 VAL HB . 6823 1 1446 . 1 1 115 115 VAL HG11 H 1 -0.030 0.02 . 1 . . . . 115 VAL HG1 . 6823 1 1447 . 1 1 115 115 VAL HG12 H 1 -0.030 0.02 . 1 . . . . 115 VAL HG1 . 6823 1 1448 . 1 1 115 115 VAL HG13 H 1 -0.030 0.02 . 1 . . . . 115 VAL HG1 . 6823 1 1449 . 1 1 115 115 VAL HG21 H 1 0.060 0.02 . 1 . . . . 115 VAL HG2 . 6823 1 1450 . 1 1 115 115 VAL HG22 H 1 0.060 0.02 . 1 . . . . 115 VAL HG2 . 6823 1 1451 . 1 1 115 115 VAL HG23 H 1 0.060 0.02 . 1 . . . . 115 VAL HG2 . 6823 1 1452 . 1 1 115 115 VAL C C 13 175.797 0.3 . 1 . . . . 115 VAL C . 6823 1 1453 . 1 1 115 115 VAL CA C 13 61.226 0.3 . 1 . . . . 115 VAL CA . 6823 1 1454 . 1 1 115 115 VAL CB C 13 32.324 0.3 . 1 . . . . 115 VAL CB . 6823 1 1455 . 1 1 115 115 VAL CG1 C 13 21.370 0.3 . 1 . . . . 115 VAL CG1 . 6823 1 1456 . 1 1 115 115 VAL CG2 C 13 17.780 0.3 . 1 . . . . 115 VAL CG2 . 6823 1 1457 . 1 1 115 115 VAL N N 15 114.513 0.3 . 1 . . . . 115 VAL N . 6823 1 1458 . 1 1 116 116 GLY H H 1 7.837 0.02 . 1 . . . . 116 GLY HN . 6823 1 1459 . 1 1 116 116 GLY HA2 H 1 4.431 0.02 . 2 . . . . 116 GLY HA1 . 6823 1 1460 . 1 1 116 116 GLY HA3 H 1 3.819 0.02 . 2 . . . . 116 GLY HA2 . 6823 1 1461 . 1 1 116 116 GLY CA C 13 45.192 0.3 . 1 . . . . 116 GLY CA . 6823 1 1462 . 1 1 116 116 GLY N N 15 109.758 0.3 . 1 . . . . 116 GLY N . 6823 1 1463 . 1 1 117 117 PRO HA H 1 4.810 0.02 . 1 . . . . 117 PRO HA . 6823 1 1464 . 1 1 117 117 PRO HB2 H 1 2.190 0.02 . 2 . . . . 117 PRO HB1 . 6823 1 1465 . 1 1 117 117 PRO HB3 H 1 1.850 0.02 . 2 . . . . 117 PRO HB2 . 6823 1 1466 . 1 1 117 117 PRO HG2 H 1 2.050 0.02 . 2 . . . . 117 PRO HG1 . 6823 1 1467 . 1 1 117 117 PRO HG3 H 1 2.110 0.02 . 2 . . . . 117 PRO HG2 . 6823 1 1468 . 1 1 117 117 PRO HD2 H 1 3.840 0.02 . 2 . . . . 117 PRO HD1 . 6823 1 1469 . 1 1 117 117 PRO HD3 H 1 3.670 0.02 . 2 . . . . 117 PRO HD2 . 6823 1 1470 . 1 1 117 117 PRO C C 13 178.263 0.3 . 1 . . . . 117 PRO C . 6823 1 1471 . 1 1 117 117 PRO CA C 13 62.488 0.3 . 1 . . . . 117 PRO CA . 6823 1 1472 . 1 1 117 117 PRO CB C 13 32.371 0.3 . 1 . . . . 117 PRO CB . 6823 1 1473 . 1 1 117 117 PRO CG C 13 27.540 0.3 . 1 . . . . 117 PRO CG . 6823 1 1474 . 1 1 117 117 PRO CD C 13 49.850 0.3 . 1 . . . . 117 PRO CD . 6823 1 1475 . 1 1 118 118 VAL H H 1 8.252 0.02 . 1 . . . . 118 VAL HN . 6823 1 1476 . 1 1 118 118 VAL HA H 1 5.320 0.02 . 1 . . . . 118 VAL HA . 6823 1 1477 . 1 1 118 118 VAL HB H 1 1.930 0.02 . 1 . . . . 118 VAL HB . 6823 1 1478 . 1 1 118 118 VAL HG11 H 1 0.880 0.02 . 1 . . . . 118 VAL HG1 . 6823 1 1479 . 1 1 118 118 VAL HG12 H 1 0.880 0.02 . 1 . . . . 118 VAL HG1 . 6823 1 1480 . 1 1 118 118 VAL HG13 H 1 0.880 0.02 . 1 . . . . 118 VAL HG1 . 6823 1 1481 . 1 1 118 118 VAL HG21 H 1 0.620 0.02 . 1 . . . . 118 VAL HG2 . 6823 1 1482 . 1 1 118 118 VAL HG22 H 1 0.620 0.02 . 1 . . . . 118 VAL HG2 . 6823 1 1483 . 1 1 118 118 VAL HG23 H 1 0.620 0.02 . 1 . . . . 118 VAL HG2 . 6823 1 1484 . 1 1 118 118 VAL C C 13 174.657 0.3 . 1 . . . . 118 VAL C . 6823 1 1485 . 1 1 118 118 VAL CA C 13 58.669 0.3 . 1 . . . . 118 VAL CA . 6823 1 1486 . 1 1 118 118 VAL CB C 13 34.405 0.3 . 1 . . . . 118 VAL CB . 6823 1 1487 . 1 1 118 118 VAL CG1 C 13 23.880 0.3 . 1 . . . . 118 VAL CG1 . 6823 1 1488 . 1 1 118 118 VAL CG2 C 13 19.070 0.3 . 1 . . . . 118 VAL CG2 . 6823 1 1489 . 1 1 118 118 VAL N N 15 115.100 0.3 . 1 . . . . 118 VAL N . 6823 1 1490 . 1 1 119 119 THR H H 1 8.270 0.02 . 1 . . . . 119 THR HN . 6823 1 1491 . 1 1 119 119 THR HA H 1 4.590 0.02 . 1 . . . . 119 THR HA . 6823 1 1492 . 1 1 119 119 THR HB H 1 3.850 0.02 . 1 . . . . 119 THR HB . 6823 1 1493 . 1 1 119 119 THR HG21 H 1 1.020 0.02 . 1 . . . . 119 THR HG2 . 6823 1 1494 . 1 1 119 119 THR HG22 H 1 1.020 0.02 . 1 . . . . 119 THR HG2 . 6823 1 1495 . 1 1 119 119 THR HG23 H 1 1.020 0.02 . 1 . . . . 119 THR HG2 . 6823 1 1496 . 1 1 119 119 THR C C 13 172.453 0.3 . 1 . . . . 119 THR C . 6823 1 1497 . 1 1 119 119 THR CA C 13 59.785 0.3 . 1 . . . . 119 THR CA . 6823 1 1498 . 1 1 119 119 THR CB C 13 71.124 0.3 . 1 . . . . 119 THR CB . 6823 1 1499 . 1 1 119 119 THR CG2 C 13 19.650 0.3 . 1 . . . . 119 THR CG2 . 6823 1 1500 . 1 1 119 119 THR N N 15 113.261 0.3 . 1 . . . . 119 THR N . 6823 1 1501 . 1 1 120 120 MET H H 1 8.988 0.02 . 1 . . . . 120 MET HN . 6823 1 1502 . 1 1 120 120 MET HA H 1 4.711 0.02 . 1 . . . . 120 MET HA . 6823 1 1503 . 1 1 120 120 MET HB2 H 1 2.200 0.02 . 2 . . . . 120 MET HB1 . 6823 1 1504 . 1 1 120 120 MET HB3 H 1 1.950 0.02 . 2 . . . . 120 MET HB2 . 6823 1 1505 . 1 1 120 120 MET HG2 H 1 2.710 0.02 . 2 . . . . 120 MET HG1 . 6823 1 1506 . 1 1 120 120 MET HG3 H 1 2.340 0.02 . 2 . . . . 120 MET HG2 . 6823 1 1507 . 1 1 120 120 MET C C 13 175.079 0.3 . 1 . . . . 120 MET C . 6823 1 1508 . 1 1 120 120 MET CA C 13 55.408 0.3 . 1 . . . . 120 MET CA . 6823 1 1509 . 1 1 120 120 MET CB C 13 30.112 0.3 . 1 . . . . 120 MET CB . 6823 1 1510 . 1 1 120 120 MET CG C 13 31.420 0.3 . 1 . . . . 120 MET CG . 6823 1 1511 . 1 1 120 120 MET N N 15 126.138 0.3 . 1 . . . . 120 MET N . 6823 1 1512 . 1 1 121 121 ALA H H 1 9.368 0.02 . 1 . . . . 121 ALA HN . 6823 1 1513 . 1 1 121 121 ALA HA H 1 4.501 0.02 . 1 . . . . 121 ALA HA . 6823 1 1514 . 1 1 121 121 ALA HB1 H 1 1.340 0.02 . 1 . . . . 121 ALA HB . 6823 1 1515 . 1 1 121 121 ALA HB2 H 1 1.340 0.02 . 1 . . . . 121 ALA HB . 6823 1 1516 . 1 1 121 121 ALA HB3 H 1 1.340 0.02 . 1 . . . . 121 ALA HB . 6823 1 1517 . 1 1 121 121 ALA C C 13 178.141 0.3 . 1 . . . . 121 ALA C . 6823 1 1518 . 1 1 121 121 ALA CA C 13 52.543 0.3 . 1 . . . . 121 ALA CA . 6823 1 1519 . 1 1 121 121 ALA CB C 13 19.980 0.3 . 1 . . . . 121 ALA CB . 6823 1 1520 . 1 1 121 121 ALA N N 15 132.626 0.3 . 1 . . . . 121 ALA N . 6823 1 1521 . 1 1 122 122 GLY H H 1 8.232 0.02 . 1 . . . . 122 GLY HN . 6823 1 1522 . 1 1 122 122 GLY HA2 H 1 4.210 0.02 . 2 . . . . 122 GLY HA1 . 6823 1 1523 . 1 1 122 122 GLY HA3 H 1 3.562 0.02 . 2 . . . . 122 GLY HA2 . 6823 1 1524 . 1 1 122 122 GLY C C 13 171.472 0.3 . 1 . . . . 122 GLY C . 6823 1 1525 . 1 1 122 122 GLY CA C 13 46.443 0.3 . 1 . . . . 122 GLY CA . 6823 1 1526 . 1 1 122 122 GLY N N 15 107.215 0.3 . 1 . . . . 122 GLY N . 6823 1 1527 . 1 1 123 123 LEU H H 1 8.011 0.02 . 1 . . . . 123 LEU HN . 6823 1 1528 . 1 1 123 123 LEU HA H 1 4.920 0.02 . 1 . . . . 123 LEU HA . 6823 1 1529 . 1 1 123 123 LEU HB2 H 1 1.360 0.02 . 2 . . . . 123 LEU HB1 . 6823 1 1530 . 1 1 123 123 LEU HB3 H 1 1.690 0.02 . 2 . . . . 123 LEU HB2 . 6823 1 1531 . 1 1 123 123 LEU HG H 1 1.320 0.02 . 1 . . . . 123 LEU HG . 6823 1 1532 . 1 1 123 123 LEU HD11 H 1 0.740 0.02 . 2 . . . . 123 LEU HD1 . 6823 1 1533 . 1 1 123 123 LEU HD12 H 1 0.740 0.02 . 2 . . . . 123 LEU HD1 . 6823 1 1534 . 1 1 123 123 LEU HD13 H 1 0.740 0.02 . 2 . . . . 123 LEU HD1 . 6823 1 1535 . 1 1 123 123 LEU HD21 H 1 0.780 0.02 . 2 . . . . 123 LEU HD2 . 6823 1 1536 . 1 1 123 123 LEU HD22 H 1 0.780 0.02 . 2 . . . . 123 LEU HD2 . 6823 1 1537 . 1 1 123 123 LEU HD23 H 1 0.780 0.02 . 2 . . . . 123 LEU HD2 . 6823 1 1538 . 1 1 123 123 LEU C C 13 177.017 0.3 . 1 . . . . 123 LEU C . 6823 1 1539 . 1 1 123 123 LEU CA C 13 55.210 0.3 . 1 . . . . 123 LEU CA . 6823 1 1540 . 1 1 123 123 LEU CB C 13 43.682 0.3 . 1 . . . . 123 LEU CB . 6823 1 1541 . 1 1 123 123 LEU CG C 13 26.790 0.3 . 1 . . . . 123 LEU CG . 6823 1 1542 . 1 1 123 123 LEU CD1 C 13 24.930 0.3 . 1 . . . . 123 LEU CD1 . 6823 1 1543 . 1 1 123 123 LEU CD2 C 13 25.520 0.3 . 1 . . . . 123 LEU CD2 . 6823 1 1544 . 1 1 123 123 LEU N N 15 128.252 0.3 . 1 . . . . 123 LEU N . 6823 1 1545 . 1 1 124 124 ILE H H 1 8.862 0.02 . 1 . . . . 124 ILE HN . 6823 1 1546 . 1 1 124 124 ILE HA H 1 4.500 0.02 . 1 . . . . 124 ILE HA . 6823 1 1547 . 1 1 124 124 ILE HB H 1 1.350 0.02 . 1 . . . . 124 ILE HB . 6823 1 1548 . 1 1 124 124 ILE HG12 H 1 0.730 0.02 . 2 . . . . 124 ILE HG11 . 6823 1 1549 . 1 1 124 124 ILE HG13 H 1 0.660 0.02 . 2 . . . . 124 ILE HG12 . 6823 1 1550 . 1 1 124 124 ILE HG21 H 1 0.180 0.02 . 1 . . . . 124 ILE HG21 . 6823 1 1551 . 1 1 124 124 ILE HG22 H 1 0.180 0.02 . 1 . . . . 124 ILE HG21 . 6823 1 1552 . 1 1 124 124 ILE HG23 H 1 0.180 0.02 . 1 . . . . 124 ILE HG21 . 6823 1 1553 . 1 1 124 124 ILE HD11 H 1 -0.060 0.02 . 1 . . . . 124 ILE HD11 . 6823 1 1554 . 1 1 124 124 ILE HD12 H 1 -0.060 0.02 . 1 . . . . 124 ILE HD11 . 6823 1 1555 . 1 1 124 124 ILE HD13 H 1 -0.060 0.02 . 1 . . . . 124 ILE HD11 . 6823 1 1556 . 1 1 124 124 ILE C C 13 173.765 0.3 . 1 . . . . 124 ILE C . 6823 1 1557 . 1 1 124 124 ILE CA C 13 57.944 0.3 . 1 . . . . 124 ILE CA . 6823 1 1558 . 1 1 124 124 ILE CB C 13 41.156 0.3 . 1 . . . . 124 ILE CB . 6823 1 1559 . 1 1 124 124 ILE CG1 C 13 25.100 0.3 . 2 . . . . 124 ILE CG1 . 6823 1 1560 . 1 1 124 124 ILE CG2 C 13 15.980 0.3 . 1 . . . . 124 ILE CG2 . 6823 1 1561 . 1 1 124 124 ILE CD1 C 13 12.590 0.3 . 1 . . . . 124 ILE CD1 . 6823 1 1562 . 1 1 124 124 ILE N N 15 123.084 0.3 . 1 . . . . 124 ILE N . 6823 1 1563 . 1 1 125 125 ASN H H 1 8.187 0.02 . 1 . . . . 125 ASN HN . 6823 1 1564 . 1 1 125 125 ASN HA H 1 4.610 0.02 . 1 . . . . 125 ASN HA . 6823 1 1565 . 1 1 125 125 ASN HB2 H 1 2.580 0.02 . 2 . . . . 125 ASN HB1 . 6823 1 1566 . 1 1 125 125 ASN HB3 H 1 2.470 0.02 . 2 . . . . 125 ASN HB2 . 6823 1 1567 . 1 1 125 125 ASN C C 13 173.414 0.3 . 1 . . . . 125 ASN C . 6823 1 1568 . 1 1 125 125 ASN CA C 13 52.499 0.3 . 1 . . . . 125 ASN CA . 6823 1 1569 . 1 1 125 125 ASN CB C 13 38.854 0.3 . 1 . . . . 125 ASN CB . 6823 1 1570 . 1 1 125 125 ASN N N 15 120.611 0.3 . 1 . . . . 125 ASN N . 6823 1 1571 . 1 1 126 126 LEU H H 1 7.936 0.02 . 1 . . . . 126 LEU HN . 6823 1 1572 . 1 1 126 126 LEU HA H 1 4.404 0.02 . 1 . . . . 126 LEU HA . 6823 1 1573 . 1 1 126 126 LEU HB2 H 1 0.940 0.02 . 2 . . . . 126 LEU HB1 . 6823 1 1574 . 1 1 126 126 LEU HB3 H 1 1.640 0.02 . 2 . . . . 126 LEU HB2 . 6823 1 1575 . 1 1 126 126 LEU HG H 1 1.120 0.02 . 1 . . . . 126 LEU HG . 6823 1 1576 . 1 1 126 126 LEU HD11 H 1 0.580 0.02 . 2 . . . . 126 LEU HD1 . 6823 1 1577 . 1 1 126 126 LEU HD12 H 1 0.580 0.02 . 2 . . . . 126 LEU HD1 . 6823 1 1578 . 1 1 126 126 LEU HD13 H 1 0.580 0.02 . 2 . . . . 126 LEU HD1 . 6823 1 1579 . 1 1 126 126 LEU HD21 H 1 0.750 0.02 . 2 . . . . 126 LEU HD2 . 6823 1 1580 . 1 1 126 126 LEU HD22 H 1 0.750 0.02 . 2 . . . . 126 LEU HD2 . 6823 1 1581 . 1 1 126 126 LEU HD23 H 1 0.750 0.02 . 2 . . . . 126 LEU HD2 . 6823 1 1582 . 1 1 126 126 LEU C C 13 174.872 0.3 . 1 . . . . 126 LEU C . 6823 1 1583 . 1 1 126 126 LEU CA C 13 52.660 0.3 . 1 . . . . 126 LEU CA . 6823 1 1584 . 1 1 126 126 LEU CB C 13 42.320 0.3 . 1 . . . . 126 LEU CB . 6823 1 1585 . 1 1 126 126 LEU CG C 13 27.120 0.3 . 1 . . . . 126 LEU CG . 6823 1 1586 . 1 1 126 126 LEU CD1 C 13 24.750 0.3 . 1 . . . . 126 LEU CD1 . 6823 1 1587 . 1 1 126 126 LEU CD2 C 13 26.310 0.3 . 1 . . . . 126 LEU CD2 . 6823 1 1588 . 1 1 126 126 LEU N N 15 128.200 0.3 . 1 . . . . 126 LEU N . 6823 1 1589 . 1 1 127 127 SER H H 1 9.509 0.02 . 1 . . . . 127 SER HN . 6823 1 1590 . 1 1 127 127 SER HA H 1 3.825 0.02 . 1 . . . . 127 SER HA . 6823 1 1591 . 1 1 127 127 SER HB2 H 1 3.820 0.02 . 2 . . . . 127 SER HB1 . 6823 1 1592 . 1 1 127 127 SER HB3 H 1 3.910 0.02 . 2 . . . . 127 SER HB2 . 6823 1 1593 . 1 1 127 127 SER C C 13 175.653 0.3 . 1 . . . . 127 SER C . 6823 1 1594 . 1 1 127 127 SER CA C 13 60.714 0.3 . 1 . . . . 127 SER CA . 6823 1 1595 . 1 1 127 127 SER CB C 13 62.720 0.3 . 1 . . . . 127 SER CB . 6823 1 1596 . 1 1 127 127 SER N N 15 124.859 0.3 . 1 . . . . 127 SER N . 6823 1 1597 . 1 1 128 128 SER H H 1 8.434 0.02 . 1 . . . . 128 SER HN . 6823 1 1598 . 1 1 128 128 SER HA H 1 4.023 0.02 . 1 . . . . 128 SER HA . 6823 1 1599 . 1 1 128 128 SER HB2 H 1 4.120 0.02 . 2 . . . . 128 SER HB1 . 6823 1 1600 . 1 1 128 128 SER HB3 H 1 4.150 0.02 . 2 . . . . 128 SER HB2 . 6823 1 1601 . 1 1 128 128 SER C C 13 173.398 0.3 . 1 . . . . 128 SER C . 6823 1 1602 . 1 1 128 128 SER CA C 13 60.721 0.3 . 1 . . . . 128 SER CA . 6823 1 1603 . 1 1 128 128 SER CB C 13 62.336 0.3 . 1 . . . . 128 SER CB . 6823 1 1604 . 1 1 128 128 SER N N 15 107.916 0.3 . 1 . . . . 128 SER N . 6823 1 1605 . 1 1 129 129 THR H H 1 7.967 0.02 . 1 . . . . 129 THR HN . 6823 1 1606 . 1 1 129 129 THR HA H 1 4.710 0.02 . 1 . . . . 129 THR HA . 6823 1 1607 . 1 1 129 129 THR HB H 1 4.320 0.02 . 1 . . . . 129 THR HB . 6823 1 1608 . 1 1 129 129 THR HG21 H 1 1.230 0.02 . 1 . . . . 129 THR HG2 . 6823 1 1609 . 1 1 129 129 THR HG22 H 1 1.230 0.02 . 1 . . . . 129 THR HG2 . 6823 1 1610 . 1 1 129 129 THR HG23 H 1 1.230 0.02 . 1 . . . . 129 THR HG2 . 6823 1 1611 . 1 1 129 129 THR CA C 13 59.968 0.3 . 1 . . . . 129 THR CA . 6823 1 1612 . 1 1 129 129 THR CB C 13 70.459 0.3 . 1 . . . . 129 THR CB . 6823 1 1613 . 1 1 129 129 THR CG2 C 13 21.040 0.3 . 1 . . . . 129 THR CG2 . 6823 1 1614 . 1 1 129 129 THR N N 15 118.928 0.3 . 1 . . . . 129 THR N . 6823 1 1615 . 1 1 130 130 PRO HA H 1 4.410 0.02 . 1 . . . . 130 PRO HA . 6823 1 1616 . 1 1 130 130 PRO HB2 H 1 1.940 0.02 . 2 . . . . 130 PRO HB1 . 6823 1 1617 . 1 1 130 130 PRO HB3 H 1 2.400 0.02 . 2 . . . . 130 PRO HB2 . 6823 1 1618 . 1 1 130 130 PRO HG2 H 1 2.050 0.02 . 1 . . . . 130 PRO HG1 . 6823 1 1619 . 1 1 130 130 PRO HG3 H 1 2.050 0.02 . 1 . . . . 130 PRO HG2 . 6823 1 1620 . 1 1 130 130 PRO HD2 H 1 3.880 0.02 . 1 . . . . 130 PRO HD1 . 6823 1 1621 . 1 1 130 130 PRO HD3 H 1 3.880 0.02 . 1 . . . . 130 PRO HD2 . 6823 1 1622 . 1 1 130 130 PRO C C 13 175.815 0.3 . 1 . . . . 130 PRO C . 6823 1 1623 . 1 1 130 130 PRO CA C 13 64.077 0.3 . 1 . . . . 130 PRO CA . 6823 1 1624 . 1 1 130 130 PRO CB C 13 31.644 0.3 . 1 . . . . 130 PRO CB . 6823 1 1625 . 1 1 130 130 PRO CG C 13 27.250 0.3 . 1 . . . . 130 PRO CG . 6823 1 1626 . 1 1 130 130 PRO CD C 13 49.650 0.3 . 1 . . . . 130 PRO CD . 6823 1 1627 . 1 1 131 131 THR H H 1 9.190 0.02 . 1 . . . . 131 THR HN . 6823 1 1628 . 1 1 131 131 THR HA H 1 5.231 0.02 . 1 . . . . 131 THR HA . 6823 1 1629 . 1 1 131 131 THR HB H 1 3.800 0.02 . 1 . . . . 131 THR HB . 6823 1 1630 . 1 1 131 131 THR HG21 H 1 1.210 0.02 . 1 . . . . 131 THR HG2 . 6823 1 1631 . 1 1 131 131 THR HG22 H 1 1.210 0.02 . 1 . . . . 131 THR HG2 . 6823 1 1632 . 1 1 131 131 THR HG23 H 1 1.210 0.02 . 1 . . . . 131 THR HG2 . 6823 1 1633 . 1 1 131 131 THR C C 13 171.747 0.3 . 1 . . . . 131 THR C . 6823 1 1634 . 1 1 131 131 THR CA C 13 62.445 0.3 . 1 . . . . 131 THR CA . 6823 1 1635 . 1 1 131 131 THR CB C 13 73.056 0.3 . 1 . . . . 131 THR CB . 6823 1 1636 . 1 1 131 131 THR CG2 C 13 22.560 0.3 . 1 . . . . 131 THR CG2 . 6823 1 1637 . 1 1 131 131 THR N N 15 123.890 0.3 . 1 . . . . 131 THR N . 6823 1 1638 . 1 1 132 132 ASN H H 1 8.195 0.02 . 1 . . . . 132 ASN HN . 6823 1 1639 . 1 1 132 132 ASN HA H 1 5.400 0.02 . 1 . . . . 132 ASN HA . 6823 1 1640 . 1 1 132 132 ASN HB2 H 1 2.720 0.02 . 2 . . . . 132 ASN HB1 . 6823 1 1641 . 1 1 132 132 ASN HB3 H 1 2.420 0.02 . 2 . . . . 132 ASN HB2 . 6823 1 1642 . 1 1 132 132 ASN HD21 H 1 6.900 0.02 . 2 . . . . 132 ASN HD21 . 6823 1 1643 . 1 1 132 132 ASN HD22 H 1 7.560 0.02 . 2 . . . . 132 ASN HD22 . 6823 1 1644 . 1 1 132 132 ASN C C 13 173.791 0.3 . 1 . . . . 132 ASN C . 6823 1 1645 . 1 1 132 132 ASN CA C 13 49.794 0.3 . 1 . . . . 132 ASN CA . 6823 1 1646 . 1 1 132 132 ASN CB C 13 41.884 0.3 . 1 . . . . 132 ASN CB . 6823 1 1647 . 1 1 132 132 ASN CG C 13 177.030 0.3 . 1 . . . . 132 ASN CG . 6823 1 1648 . 1 1 132 132 ASN N N 15 123.904 0.3 . 1 . . . . 132 ASN N . 6823 1 1649 . 1 1 132 132 ASN ND2 N 15 112.370 0.3 . 1 . . . . 132 ASN ND2 . 6823 1 1650 . 1 1 133 133 ARG H H 1 8.106 0.02 . 1 . . . . 133 ARG HN . 6823 1 1651 . 1 1 133 133 ARG HA H 1 3.780 0.02 . 1 . . . . 133 ARG HA . 6823 1 1652 . 1 1 133 133 ARG HB2 H 1 2.240 0.02 . 1 . . . . 133 ARG HB1 . 6823 1 1653 . 1 1 133 133 ARG HB3 H 1 2.240 0.02 . 1 . . . . 133 ARG HB2 . 6823 1 1654 . 1 1 133 133 ARG HD2 H 1 3.240 0.02 . 2 . . . . 133 ARG HD1 . 6823 1 1655 . 1 1 133 133 ARG HD3 H 1 3.260 0.02 . 2 . . . . 133 ARG HD2 . 6823 1 1656 . 1 1 133 133 ARG C C 13 173.151 0.3 . 1 . . . . 133 ARG C . 6823 1 1657 . 1 1 133 133 ARG CA C 13 57.412 0.3 . 1 . . . . 133 ARG CA . 6823 1 1658 . 1 1 133 133 ARG CB C 13 27.021 0.3 . 1 . . . . 133 ARG CB . 6823 1 1659 . 1 1 133 133 ARG CG C 13 28.400 0.3 . 1 . . . . 133 ARG CG . 6823 1 1660 . 1 1 133 133 ARG CD C 13 44.200 0.3 . 1 . . . . 133 ARG CD . 6823 1 1661 . 1 1 133 133 ARG N N 15 111.640 0.3 . 1 . . . . 133 ARG N . 6823 1 1662 . 1 1 134 134 MET H H 1 8.409 0.02 . 1 . . . . 134 MET HN . 6823 1 1663 . 1 1 134 134 MET HA H 1 5.151 0.02 . 1 . . . . 134 MET HA . 6823 1 1664 . 1 1 134 134 MET HB2 H 1 1.870 0.02 . 2 . . . . 134 MET HB1 . 6823 1 1665 . 1 1 134 134 MET HB3 H 1 1.570 0.02 . 2 . . . . 134 MET HB2 . 6823 1 1666 . 1 1 134 134 MET HG2 H 1 2.340 0.02 . 2 . . . . 134 MET HG1 . 6823 1 1667 . 1 1 134 134 MET HG3 H 1 2.240 0.02 . 2 . . . . 134 MET HG2 . 6823 1 1668 . 1 1 134 134 MET HE1 H 1 1.940 0.02 . 1 . . . . 134 MET HE . 6823 1 1669 . 1 1 134 134 MET HE2 H 1 1.940 0.02 . 1 . . . . 134 MET HE . 6823 1 1670 . 1 1 134 134 MET HE3 H 1 1.940 0.02 . 1 . . . . 134 MET HE . 6823 1 1671 . 1 1 134 134 MET C C 13 176.586 0.3 . 1 . . . . 134 MET C . 6823 1 1672 . 1 1 134 134 MET CA C 13 54.668 0.3 . 1 . . . . 134 MET CA . 6823 1 1673 . 1 1 134 134 MET CB C 13 38.097 0.3 . 1 . . . . 134 MET CB . 6823 1 1674 . 1 1 134 134 MET CG C 13 32.090 0.3 . 1 . . . . 134 MET CG . 6823 1 1675 . 1 1 134 134 MET CE C 13 20.070 0.3 . 1 . . . . 134 MET CE . 6823 1 1676 . 1 1 134 134 MET N N 15 113.252 0.3 . 1 . . . . 134 MET N . 6823 1 1677 . 1 1 135 135 ILE H H 1 9.901 0.02 . 1 . . . . 135 ILE HN . 6823 1 1678 . 1 1 135 135 ILE HA H 1 4.585 0.02 . 1 . . . . 135 ILE HA . 6823 1 1679 . 1 1 135 135 ILE HB H 1 1.670 0.02 . 1 . . . . 135 ILE HB . 6823 1 1680 . 1 1 135 135 ILE HG12 H 1 0.950 0.02 . 2 . . . . 135 ILE HG11 . 6823 1 1681 . 1 1 135 135 ILE HG13 H 1 1.850 0.02 . 2 . . . . 135 ILE HG12 . 6823 1 1682 . 1 1 135 135 ILE HG21 H 1 0.890 0.02 . 1 . . . . 135 ILE HG21 . 6823 1 1683 . 1 1 135 135 ILE HG22 H 1 0.890 0.02 . 1 . . . . 135 ILE HG21 . 6823 1 1684 . 1 1 135 135 ILE HG23 H 1 0.890 0.02 . 1 . . . . 135 ILE HG21 . 6823 1 1685 . 1 1 135 135 ILE HD11 H 1 0.830 0.02 . 1 . . . . 135 ILE HD11 . 6823 1 1686 . 1 1 135 135 ILE HD12 H 1 0.830 0.02 . 1 . . . . 135 ILE HD11 . 6823 1 1687 . 1 1 135 135 ILE HD13 H 1 0.830 0.02 . 1 . . . . 135 ILE HD11 . 6823 1 1688 . 1 1 135 135 ILE C C 13 174.446 0.3 . 1 . . . . 135 ILE C . 6823 1 1689 . 1 1 135 135 ILE CA C 13 60.931 0.3 . 1 . . . . 135 ILE CA . 6823 1 1690 . 1 1 135 135 ILE CB C 13 40.970 0.3 . 1 . . . . 135 ILE CB . 6823 1 1691 . 1 1 135 135 ILE CG1 C 13 27.690 0.3 . 1 . . . . 135 ILE CG1 . 6823 1 1692 . 1 1 135 135 ILE CG2 C 13 18.550 0.3 . 1 . . . . 135 ILE CG2 . 6823 1 1693 . 1 1 135 135 ILE CD1 C 13 15.710 0.3 . 1 . . . . 135 ILE CD1 . 6823 1 1694 . 1 1 135 135 ILE N N 15 126.089 0.3 . 1 . . . . 135 ILE N . 6823 1 1695 . 1 1 136 136 ARG H H 1 9.473 0.02 . 1 . . . . 136 ARG HN . 6823 1 1696 . 1 1 136 136 ARG HA H 1 5.093 0.02 . 1 . . . . 136 ARG HA . 6823 1 1697 . 1 1 136 136 ARG HB2 H 1 1.600 0.02 . 2 . . . . 136 ARG HB1 . 6823 1 1698 . 1 1 136 136 ARG HB3 H 1 1.300 0.02 . 2 . . . . 136 ARG HB2 . 6823 1 1699 . 1 1 136 136 ARG HG2 H 1 1.220 0.02 . 2 . . . . 136 ARG HG1 . 6823 1 1700 . 1 1 136 136 ARG HG3 H 1 0.770 0.02 . 2 . . . . 136 ARG HG2 . 6823 1 1701 . 1 1 136 136 ARG HD2 H 1 2.860 0.02 . 1 . . . . 136 ARG HD1 . 6823 1 1702 . 1 1 136 136 ARG HD3 H 1 2.860 0.02 . 1 . . . . 136 ARG HD2 . 6823 1 1703 . 1 1 136 136 ARG C C 13 174.452 0.3 . 1 . . . . 136 ARG C . 6823 1 1704 . 1 1 136 136 ARG CA C 13 54.105 0.3 . 1 . . . . 136 ARG CA . 6823 1 1705 . 1 1 136 136 ARG CB C 13 35.664 0.3 . 1 . . . . 136 ARG CB . 6823 1 1706 . 1 1 136 136 ARG CG C 13 26.540 0.3 . 1 . . . . 136 ARG CG . 6823 1 1707 . 1 1 136 136 ARG CD C 13 43.970 0.3 . 1 . . . . 136 ARG CD . 6823 1 1708 . 1 1 136 136 ARG N N 15 127.687 0.3 . 1 . . . . 136 ARG N . 6823 1 1709 . 1 1 137 137 TYR H H 1 7.450 0.02 . 1 . . . . 137 TYR HN . 6823 1 1710 . 1 1 137 137 TYR HA H 1 4.892 0.02 . 1 . . . . 137 TYR HA . 6823 1 1711 . 1 1 137 137 TYR HB2 H 1 3.140 0.02 . 2 . . . . 137 TYR HB1 . 6823 1 1712 . 1 1 137 137 TYR HB3 H 1 2.570 0.02 . 2 . . . . 137 TYR HB2 . 6823 1 1713 . 1 1 137 137 TYR HD1 H 1 6.640 0.02 . 3 . . . . 137 TYR HD1 . 6823 1 1714 . 1 1 137 137 TYR HD2 H 1 6.630 0.02 . 3 . . . . 137 TYR HD2 . 6823 1 1715 . 1 1 137 137 TYR HE1 H 1 6.630 0.02 . 3 . . . . 137 TYR HE1 . 6823 1 1716 . 1 1 137 137 TYR HE2 H 1 6.640 0.02 . 3 . . . . 137 TYR HE2 . 6823 1 1717 . 1 1 137 137 TYR C C 13 176.245 0.3 . 1 . . . . 137 TYR C . 6823 1 1718 . 1 1 137 137 TYR CA C 13 52.584 0.3 . 1 . . . . 137 TYR CA . 6823 1 1719 . 1 1 137 137 TYR CB C 13 38.301 0.3 . 1 . . . . 137 TYR CB . 6823 1 1720 . 1 1 137 137 TYR CD1 C 13 133.280 0.3 . 1 . . . . 137 TYR CD1 . 6823 1 1721 . 1 1 137 137 TYR CD2 C 13 133.280 0.3 . 1 . . . . 137 TYR CD2 . 6823 1 1722 . 1 1 137 137 TYR CE1 C 13 117.740 0.3 . 1 . . . . 137 TYR CE1 . 6823 1 1723 . 1 1 137 137 TYR CE2 C 13 117.740 0.3 . 1 . . . . 137 TYR CE2 . 6823 1 1724 . 1 1 137 137 TYR N N 15 120.681 0.3 . 1 . . . . 137 TYR N . 6823 1 1725 . 1 1 138 138 ASP H H 1 9.589 0.02 . 1 . . . . 138 ASP HN . 6823 1 1726 . 1 1 138 138 ASP HA H 1 4.985 0.02 . 1 . . . . 138 ASP HA . 6823 1 1727 . 1 1 138 138 ASP HB2 H 1 2.750 0.02 . 1 . . . . 138 ASP HB1 . 6823 1 1728 . 1 1 138 138 ASP HB3 H 1 2.750 0.02 . 1 . . . . 138 ASP HB2 . 6823 1 1729 . 1 1 138 138 ASP C C 13 173.642 0.3 . 1 . . . . 138 ASP C . 6823 1 1730 . 1 1 138 138 ASP CA C 13 53.673 0.3 . 1 . . . . 138 ASP CA . 6823 1 1731 . 1 1 138 138 ASP CB C 13 39.556 0.3 . 1 . . . . 138 ASP CB . 6823 1 1732 . 1 1 138 138 ASP N N 15 126.810 0.3 . 1 . . . . 138 ASP N . 6823 1 1733 . 1 1 139 139 TYR H H 1 7.620 0.02 . 1 . . . . 139 TYR HN . 6823 1 1734 . 1 1 139 139 TYR HA H 1 4.384 0.02 . 1 . . . . 139 TYR HA . 6823 1 1735 . 1 1 139 139 TYR HB2 H 1 3.180 0.02 . 2 . . . . 139 TYR HB1 . 6823 1 1736 . 1 1 139 139 TYR HB3 H 1 2.650 0.02 . 2 . . . . 139 TYR HB2 . 6823 1 1737 . 1 1 139 139 TYR HD1 H 1 6.980 0.02 . 1 . . . . 139 TYR HD1 . 6823 1 1738 . 1 1 139 139 TYR HD2 H 1 6.980 0.02 . 1 . . . . 139 TYR HD2 . 6823 1 1739 . 1 1 139 139 TYR HE1 H 1 6.680 0.02 . 1 . . . . 139 TYR HE1 . 6823 1 1740 . 1 1 139 139 TYR HE2 H 1 6.680 0.02 . 1 . . . . 139 TYR HE2 . 6823 1 1741 . 1 1 139 139 TYR C C 13 173.358 0.3 . 1 . . . . 139 TYR C . 6823 1 1742 . 1 1 139 139 TYR CA C 13 57.761 0.3 . 1 . . . . 139 TYR CA . 6823 1 1743 . 1 1 139 139 TYR CB C 13 43.458 0.3 . 1 . . . . 139 TYR CB . 6823 1 1744 . 1 1 139 139 TYR CD1 C 13 133.640 0.3 . 1 . . . . 139 TYR CD1 . 6823 1 1745 . 1 1 139 139 TYR CD2 C 13 133.640 0.3 . 1 . . . . 139 TYR CD2 . 6823 1 1746 . 1 1 139 139 TYR CE1 C 13 117.790 0.3 . 1 . . . . 139 TYR CE1 . 6823 1 1747 . 1 1 139 139 TYR CE2 C 13 117.790 0.3 . 1 . . . . 139 TYR CE2 . 6823 1 1748 . 1 1 139 139 TYR N N 15 122.752 0.3 . 1 . . . . 139 TYR N . 6823 1 1749 . 1 1 140 140 ALA H H 1 7.390 0.02 . 1 . . . . 140 ALA HN . 6823 1 1750 . 1 1 140 140 ALA HA H 1 4.030 0.02 . 1 . . . . 140 ALA HA . 6823 1 1751 . 1 1 140 140 ALA HB1 H 1 1.030 0.02 . 1 . . . . 140 ALA HB . 6823 1 1752 . 1 1 140 140 ALA HB2 H 1 1.030 0.02 . 1 . . . . 140 ALA HB . 6823 1 1753 . 1 1 140 140 ALA HB3 H 1 1.030 0.02 . 1 . . . . 140 ALA HB . 6823 1 1754 . 1 1 140 140 ALA C C 13 175.653 0.3 . 1 . . . . 140 ALA C . 6823 1 1755 . 1 1 140 140 ALA CA C 13 50.581 0.3 . 1 . . . . 140 ALA CA . 6823 1 1756 . 1 1 140 140 ALA CB C 13 16.814 0.3 . 1 . . . . 140 ALA CB . 6823 1 1757 . 1 1 140 140 ALA N N 15 129.395 0.3 . 1 . . . . 140 ALA N . 6823 1 1758 . 1 1 141 141 THR H H 1 7.869 0.02 . 1 . . . . 141 THR HN . 6823 1 1759 . 1 1 141 141 THR HA H 1 4.242 0.02 . 1 . . . . 141 THR HA . 6823 1 1760 . 1 1 141 141 THR HB H 1 3.940 0.02 . 1 . . . . 141 THR HB . 6823 1 1761 . 1 1 141 141 THR HG21 H 1 1.130 0.02 . 1 . . . . 141 THR HG2 . 6823 1 1762 . 1 1 141 141 THR HG22 H 1 1.130 0.02 . 1 . . . . 141 THR HG2 . 6823 1 1763 . 1 1 141 141 THR HG23 H 1 1.130 0.02 . 1 . . . . 141 THR HG2 . 6823 1 1764 . 1 1 141 141 THR C C 13 175.717 0.3 . 1 . . . . 141 THR C . 6823 1 1765 . 1 1 141 141 THR CA C 13 62.983 0.3 . 1 . . . . 141 THR CA . 6823 1 1766 . 1 1 141 141 THR CB C 13 69.420 0.3 . 1 . . . . 141 THR CB . 6823 1 1767 . 1 1 141 141 THR CG2 C 13 22.230 0.3 . 1 . . . . 141 THR CG2 . 6823 1 1768 . 1 1 141 141 THR N N 15 117.124 0.3 . 1 . . . . 141 THR N . 6823 1 1769 . 1 1 142 142 LYS H H 1 7.754 0.02 . 1 . . . . 142 LYS HN . 6823 1 1770 . 1 1 142 142 LYS HA H 1 4.700 0.02 . 1 . . . . 142 LYS HA . 6823 1 1771 . 1 1 142 142 LYS HB2 H 1 2.090 0.02 . 2 . . . . 142 LYS HB1 . 6823 1 1772 . 1 1 142 142 LYS HB3 H 1 1.200 0.02 . 2 . . . . 142 LYS HB2 . 6823 1 1773 . 1 1 142 142 LYS HG2 H 1 1.440 0.02 . 2 . . . . 142 LYS HG1 . 6823 1 1774 . 1 1 142 142 LYS HG3 H 1 1.320 0.02 . 2 . . . . 142 LYS HG2 . 6823 1 1775 . 1 1 142 142 LYS HD2 H 1 1.740 0.02 . 2 . . . . 142 LYS HD1 . 6823 1 1776 . 1 1 142 142 LYS HD3 H 1 1.690 0.02 . 2 . . . . 142 LYS HD2 . 6823 1 1777 . 1 1 142 142 LYS HE2 H 1 3.040 0.02 . 1 . . . . 142 LYS HE1 . 6823 1 1778 . 1 1 142 142 LYS HE3 H 1 3.040 0.02 . 1 . . . . 142 LYS HE2 . 6823 1 1779 . 1 1 142 142 LYS C C 13 176.162 0.3 . 1 . . . . 142 LYS C . 6823 1 1780 . 1 1 142 142 LYS CA C 13 54.558 0.3 . 1 . . . . 142 LYS CA . 6823 1 1781 . 1 1 142 142 LYS CB C 13 37.771 0.3 . 1 . . . . 142 LYS CB . 6823 1 1782 . 1 1 142 142 LYS CG C 13 24.570 0.3 . 1 . . . . 142 LYS CG . 6823 1 1783 . 1 1 142 142 LYS CD C 13 29.090 0.3 . 1 . . . . 142 LYS CD . 6823 1 1784 . 1 1 142 142 LYS CE C 13 42.270 0.3 . 1 . . . . 142 LYS CE . 6823 1 1785 . 1 1 142 142 LYS N N 15 120.080 0.3 . 1 . . . . 142 LYS N . 6823 1 1786 . 1 1 143 143 THR H H 1 8.304 0.02 . 1 . . . . 143 THR HN . 6823 1 1787 . 1 1 143 143 THR HA H 1 3.800 0.02 . 1 . . . . 143 THR HA . 6823 1 1788 . 1 1 143 143 THR HB H 1 4.210 0.02 . 1 . . . . 143 THR HB . 6823 1 1789 . 1 1 143 143 THR HG21 H 1 1.410 0.02 . 1 . . . . 143 THR HG2 . 6823 1 1790 . 1 1 143 143 THR HG22 H 1 1.410 0.02 . 1 . . . . 143 THR HG2 . 6823 1 1791 . 1 1 143 143 THR HG23 H 1 1.410 0.02 . 1 . . . . 143 THR HG2 . 6823 1 1792 . 1 1 143 143 THR C C 13 174.577 0.3 . 1 . . . . 143 THR C . 6823 1 1793 . 1 1 143 143 THR CA C 13 65.294 0.3 . 1 . . . . 143 THR CA . 6823 1 1794 . 1 1 143 143 THR CB C 13 69.394 0.3 . 1 . . . . 143 THR CB . 6823 1 1795 . 1 1 143 143 THR CG2 C 13 21.940 0.3 . 1 . . . . 143 THR CG2 . 6823 1 1796 . 1 1 143 143 THR N N 15 113.328 0.3 . 1 . . . . 143 THR N . 6823 1 1797 . 1 1 144 144 GLY H H 1 8.068 0.02 . 1 . . . . 144 GLY HN . 6823 1 1798 . 1 1 144 144 GLY HA2 H 1 4.030 0.02 . 2 . . . . 144 GLY HA1 . 6823 1 1799 . 1 1 144 144 GLY HA3 H 1 4.630 0.02 . 2 . . . . 144 GLY HA2 . 6823 1 1800 . 1 1 144 144 GLY C C 13 176.000 0.3 . 1 . . . . 144 GLY C . 6823 1 1801 . 1 1 144 144 GLY CA C 13 45.226 0.3 . 1 . . . . 144 GLY CA . 6823 1 1802 . 1 1 144 144 GLY N N 15 109.682 0.3 . 1 . . . . 144 GLY N . 6823 1 1803 . 1 1 145 145 GLN H H 1 7.294 0.02 . 1 . . . . 145 GLN HN . 6823 1 1804 . 1 1 145 145 GLN HA H 1 4.330 0.02 . 1 . . . . 145 GLN HA . 6823 1 1805 . 1 1 145 145 GLN HB2 H 1 1.850 0.02 . 2 . . . . 145 GLN HB1 . 6823 1 1806 . 1 1 145 145 GLN HB3 H 1 2.120 0.02 . 2 . . . . 145 GLN HB2 . 6823 1 1807 . 1 1 145 145 GLN HG2 H 1 2.300 0.02 . 2 . . . . 145 GLN HG1 . 6823 1 1808 . 1 1 145 145 GLN HG3 H 1 2.360 0.02 . 1 . . . . 145 GLN HG2 . 6823 1 1809 . 1 1 145 145 GLN HE21 H 1 6.900 0.02 . 2 . . . . 145 GLN HE21 . 6823 1 1810 . 1 1 145 145 GLN HE22 H 1 8.170 0.02 . 2 . . . . 145 GLN HE22 . 6823 1 1811 . 1 1 145 145 GLN C C 13 176.366 0.3 . 1 . . . . 145 GLN C . 6823 1 1812 . 1 1 145 145 GLN CA C 13 54.633 0.3 . 1 . . . . 145 GLN CA . 6823 1 1813 . 1 1 145 145 GLN CB C 13 27.834 0.3 . 1 . . . . 145 GLN CB . 6823 1 1814 . 1 1 145 145 GLN CG C 13 34.320 0.3 . 1 . . . . 145 GLN CG . 6823 1 1815 . 1 1 145 145 GLN N N 15 115.100 0.3 . 1 . . . . 145 GLN N . 6823 1 1816 . 1 1 145 145 GLN NE2 N 15 109.920 0.3 . 1 . . . . 145 GLN NE2 . 6823 1 1817 . 1 1 146 146 CYS H H 1 7.849 0.02 . 1 . . . . 146 CYS HN . 6823 1 1818 . 1 1 146 146 CYS HA H 1 4.661 0.02 . 1 . . . . 146 CYS HA . 6823 1 1819 . 1 1 146 146 CYS HB2 H 1 3.540 0.02 . 2 . . . . 146 CYS HB1 . 6823 1 1820 . 1 1 146 146 CYS HB3 H 1 3.300 0.02 . 2 . . . . 146 CYS HB2 . 6823 1 1821 . 1 1 146 146 CYS C C 13 175.680 0.3 . 1 . . . . 146 CYS C . 6823 1 1822 . 1 1 146 146 CYS CA C 13 63.274 0.3 . 1 . . . . 146 CYS CA . 6823 1 1823 . 1 1 146 146 CYS CB C 13 36.200 0.3 . 1 . . . . 146 CYS CB . 6823 1 1824 . 1 1 146 146 CYS N N 15 114.082 0.3 . 1 . . . . 146 CYS N . 6823 1 1825 . 1 1 147 147 GLY H H 1 10.640 0.02 . 1 . . . . 147 GLY HN . 6823 1 1826 . 1 1 147 147 GLY HA2 H 1 3.600 0.02 . 2 . . . . 147 GLY HA1 . 6823 1 1827 . 1 1 147 147 GLY HA3 H 1 5.820 0.02 . 2 . . . . 147 GLY HA2 . 6823 1 1828 . 1 1 147 147 GLY C C 13 172.130 0.3 . 1 . . . . 147 GLY C . 6823 1 1829 . 1 1 147 147 GLY CA C 13 45.070 0.3 . 1 . . . . 147 GLY CA . 6823 1 1830 . 1 1 147 147 GLY N N 15 115.000 0.3 . 1 . . . . 147 GLY N . 6823 1 1831 . 1 1 148 148 GLY H H 1 8.059 0.02 . 1 . . . . 148 GLY HN . 6823 1 1832 . 1 1 148 148 GLY HA2 H 1 4.370 0.02 . 2 . . . . 148 GLY HA1 . 6823 1 1833 . 1 1 148 148 GLY HA3 H 1 3.350 0.02 . 2 . . . . 148 GLY HA2 . 6823 1 1834 . 1 1 148 148 GLY C C 13 171.756 0.3 . 1 . . . . 148 GLY C . 6823 1 1835 . 1 1 148 148 GLY CA C 13 46.395 0.3 . 1 . . . . 148 GLY CA . 6823 1 1836 . 1 1 148 148 GLY N N 15 103.162 0.3 . 1 . . . . 148 GLY N . 6823 1 1837 . 1 1 149 149 VAL H H 1 9.329 0.02 . 1 . . . . 149 VAL HN . 6823 1 1838 . 1 1 149 149 VAL HA H 1 4.310 0.02 . 1 . . . . 149 VAL HA . 6823 1 1839 . 1 1 149 149 VAL HB H 1 1.980 0.02 . 1 . . . . 149 VAL HB . 6823 1 1840 . 1 1 149 149 VAL HG11 H 1 0.880 0.02 . 1 . . . . 149 VAL HG1 . 6823 1 1841 . 1 1 149 149 VAL HG12 H 1 0.880 0.02 . 1 . . . . 149 VAL HG1 . 6823 1 1842 . 1 1 149 149 VAL HG13 H 1 0.880 0.02 . 1 . . . . 149 VAL HG1 . 6823 1 1843 . 1 1 149 149 VAL HG21 H 1 1.100 0.02 . 1 . . . . 149 VAL HG2 . 6823 1 1844 . 1 1 149 149 VAL HG22 H 1 1.100 0.02 . 1 . . . . 149 VAL HG2 . 6823 1 1845 . 1 1 149 149 VAL HG23 H 1 1.100 0.02 . 1 . . . . 149 VAL HG2 . 6823 1 1846 . 1 1 149 149 VAL C C 13 174.455 0.3 . 1 . . . . 149 VAL C . 6823 1 1847 . 1 1 149 149 VAL CA C 13 63.117 0.3 . 1 . . . . 149 VAL CA . 6823 1 1848 . 1 1 149 149 VAL CB C 13 34.135 0.3 . 1 . . . . 149 VAL CB . 6823 1 1849 . 1 1 149 149 VAL CG1 C 13 22.460 0.3 . 1 . . . . 149 VAL CG1 . 6823 1 1850 . 1 1 149 149 VAL CG2 C 13 23.830 0.3 . 1 . . . . 149 VAL CG2 . 6823 1 1851 . 1 1 149 149 VAL N N 15 124.413 0.3 . 1 . . . . 149 VAL N . 6823 1 1852 . 1 1 150 150 LEU H H 1 8.949 0.02 . 1 . . . . 150 LEU HN . 6823 1 1853 . 1 1 150 150 LEU HA H 1 5.083 0.02 . 1 . . . . 150 LEU HA . 6823 1 1854 . 1 1 150 150 LEU HB2 H 1 1.420 0.02 . 2 . . . . 150 LEU HB1 . 6823 1 1855 . 1 1 150 150 LEU HB3 H 1 1.800 0.02 . 2 . . . . 150 LEU HB2 . 6823 1 1856 . 1 1 150 150 LEU HG H 1 0.950 0.02 . 1 . . . . 150 LEU HG . 6823 1 1857 . 1 1 150 150 LEU HD11 H 1 0.240 0.02 . 2 . . . . 150 LEU HD1 . 6823 1 1858 . 1 1 150 150 LEU HD12 H 1 0.240 0.02 . 2 . . . . 150 LEU HD1 . 6823 1 1859 . 1 1 150 150 LEU HD13 H 1 0.240 0.02 . 2 . . . . 150 LEU HD1 . 6823 1 1860 . 1 1 150 150 LEU HD21 H 1 0.240 0.02 . 2 . . . . 150 LEU HD2 . 6823 1 1861 . 1 1 150 150 LEU HD22 H 1 0.240 0.02 . 2 . . . . 150 LEU HD2 . 6823 1 1862 . 1 1 150 150 LEU HD23 H 1 0.240 0.02 . 2 . . . . 150 LEU HD2 . 6823 1 1863 . 1 1 150 150 LEU C C 13 176.421 0.3 . 1 . . . . 150 LEU C . 6823 1 1864 . 1 1 150 150 LEU CA C 13 54.067 0.3 . 1 . . . . 150 LEU CA . 6823 1 1865 . 1 1 150 150 LEU CB C 13 42.902 0.3 . 1 . . . . 150 LEU CB . 6823 1 1866 . 1 1 150 150 LEU CG C 13 26.590 0.3 . 1 . . . . 150 LEU CG . 6823 1 1867 . 1 1 150 150 LEU CD1 C 13 23.950 0.3 . 1 . . . . 150 LEU CD1 . 6823 1 1868 . 1 1 150 150 LEU CD2 C 13 23.680 0.3 . 1 . . . . 150 LEU CD2 . 6823 1 1869 . 1 1 150 150 LEU N N 15 132.862 0.3 . 1 . . . . 150 LEU N . 6823 1 1870 . 1 1 151 151 CYS H H 1 10.054 0.02 . 1 . . . . 151 CYS HN . 6823 1 1871 . 1 1 151 151 CYS HA H 1 5.114 0.02 . 1 . . . . 151 CYS HA . 6823 1 1872 . 1 1 151 151 CYS HB2 H 1 3.210 0.02 . 2 . . . . 151 CYS HB1 . 6823 1 1873 . 1 1 151 151 CYS HB3 H 1 2.920 0.02 . 2 . . . . 151 CYS HB2 . 6823 1 1874 . 1 1 151 151 CYS C C 13 170.554 0.3 . 1 . . . . 151 CYS C . 6823 1 1875 . 1 1 151 151 CYS CA C 13 56.363 0.3 . 1 . . . . 151 CYS CA . 6823 1 1876 . 1 1 151 151 CYS CB C 13 33.261 0.3 . 1 . . . . 151 CYS CB . 6823 1 1877 . 1 1 151 151 CYS N N 15 124.323 0.3 . 1 . . . . 151 CYS N . 6823 1 1878 . 1 1 152 152 ALA H H 1 8.975 0.02 . 1 . . . . 152 ALA HN . 6823 1 1879 . 1 1 152 152 ALA HA H 1 4.392 0.02 . 1 . . . . 152 ALA HA . 6823 1 1880 . 1 1 152 152 ALA HB1 H 1 1.440 0.02 . 1 . . . . 152 ALA HB . 6823 1 1881 . 1 1 152 152 ALA HB2 H 1 1.440 0.02 . 1 . . . . 152 ALA HB . 6823 1 1882 . 1 1 152 152 ALA HB3 H 1 1.440 0.02 . 1 . . . . 152 ALA HB . 6823 1 1883 . 1 1 152 152 ALA C C 13 175.890 0.3 . 1 . . . . 152 ALA C . 6823 1 1884 . 1 1 152 152 ALA CA C 13 51.356 0.3 . 1 . . . . 152 ALA CA . 6823 1 1885 . 1 1 152 152 ALA CB C 13 22.354 0.3 . 1 . . . . 152 ALA CB . 6823 1 1886 . 1 1 152 152 ALA N N 15 119.316 0.3 . 1 . . . . 152 ALA N . 6823 1 1887 . 1 1 153 153 THR H H 1 8.123 0.02 . 1 . . . . 153 THR HN . 6823 1 1888 . 1 1 153 153 THR HA H 1 3.150 0.02 . 1 . . . . 153 THR HA . 6823 1 1889 . 1 1 153 153 THR HB H 1 3.980 0.02 . 1 . . . . 153 THR HB . 6823 1 1890 . 1 1 153 153 THR HG21 H 1 1.110 0.02 . 1 . . . . 153 THR HG2 . 6823 1 1891 . 1 1 153 153 THR HG22 H 1 1.110 0.02 . 1 . . . . 153 THR HG2 . 6823 1 1892 . 1 1 153 153 THR HG23 H 1 1.110 0.02 . 1 . . . . 153 THR HG2 . 6823 1 1893 . 1 1 153 153 THR CA C 13 66.198 0.3 . 1 . . . . 153 THR CA . 6823 1 1894 . 1 1 153 153 THR CB C 13 68.554 0.3 . 1 . . . . 153 THR CB . 6823 1 1895 . 1 1 153 153 THR CG2 C 13 21.430 0.3 . 1 . . . . 153 THR CG2 . 6823 1 1896 . 1 1 153 153 THR N N 15 114.823 0.3 . 1 . . . . 153 THR N . 6823 1 1897 . 1 1 154 154 GLY HA2 H 1 2.670 0.02 . 2 . . . . 154 GLY HA1 . 6823 1 1898 . 1 1 154 154 GLY HA3 H 1 3.730 0.02 . 2 . . . . 154 GLY HA2 . 6823 1 1899 . 1 1 154 154 GLY C C 13 172.123 0.3 . 1 . . . . 154 GLY C . 6823 1 1900 . 1 1 154 154 GLY CA C 13 46.083 0.3 . 1 . . . . 154 GLY CA . 6823 1 1901 . 1 1 155 155 LYS H H 1 7.673 0.02 . 1 . . . . 155 LYS HN . 6823 1 1902 . 1 1 155 155 LYS HA H 1 5.070 0.02 . 1 . . . . 155 LYS HA . 6823 1 1903 . 1 1 155 155 LYS HB2 H 1 0.980 0.02 . 2 . . . . 155 LYS HB1 . 6823 1 1904 . 1 1 155 155 LYS HB3 H 1 0.800 0.02 . 2 . . . . 155 LYS HB2 . 6823 1 1905 . 1 1 155 155 LYS HG2 H 1 1.220 0.02 . 2 . . . . 155 LYS HG1 . 6823 1 1906 . 1 1 155 155 LYS HG3 H 1 0.750 0.02 . 2 . . . . 155 LYS HG2 . 6823 1 1907 . 1 1 155 155 LYS HD2 H 1 1.880 0.02 . 2 . . . . 155 LYS HD1 . 6823 1 1908 . 1 1 155 155 LYS HD3 H 1 1.510 0.02 . 2 . . . . 155 LYS HD2 . 6823 1 1909 . 1 1 155 155 LYS HE2 H 1 3.040 0.02 . 1 . . . . 155 LYS HE1 . 6823 1 1910 . 1 1 155 155 LYS HE3 H 1 3.040 0.02 . 1 . . . . 155 LYS HE2 . 6823 1 1911 . 1 1 155 155 LYS C C 13 177.480 0.3 . 1 . . . . 155 LYS C . 6823 1 1912 . 1 1 155 155 LYS CA C 13 55.208 0.3 . 1 . . . . 155 LYS CA . 6823 1 1913 . 1 1 155 155 LYS CB C 13 39.180 0.3 . 1 . . . . 155 LYS CB . 6823 1 1914 . 1 1 155 155 LYS CG C 13 25.530 0.3 . 1 . . . . 155 LYS CG . 6823 1 1915 . 1 1 155 155 LYS CD C 13 30.370 0.3 . 1 . . . . 155 LYS CD . 6823 1 1916 . 1 1 155 155 LYS CE C 13 42.570 0.3 . 1 . . . . 155 LYS CE . 6823 1 1917 . 1 1 155 155 LYS N N 15 118.656 0.3 . 1 . . . . 155 LYS N . 6823 1 1918 . 1 1 156 156 ILE H H 1 8.302 0.02 . 1 . . . . 156 ILE HN . 6823 1 1919 . 1 1 156 156 ILE HA H 1 3.970 0.02 . 1 . . . . 156 ILE HA . 6823 1 1920 . 1 1 156 156 ILE HB H 1 1.330 0.02 . 1 . . . . 156 ILE HB . 6823 1 1921 . 1 1 156 156 ILE HG12 H 1 1.460 0.02 . 2 . . . . 156 ILE HG11 . 6823 1 1922 . 1 1 156 156 ILE HG13 H 1 1.490 0.02 . 2 . . . . 156 ILE HG12 . 6823 1 1923 . 1 1 156 156 ILE HG21 H 1 0.790 0.02 . 1 . . . . 156 ILE HG21 . 6823 1 1924 . 1 1 156 156 ILE HG22 H 1 0.790 0.02 . 1 . . . . 156 ILE HG21 . 6823 1 1925 . 1 1 156 156 ILE HG23 H 1 0.790 0.02 . 1 . . . . 156 ILE HG21 . 6823 1 1926 . 1 1 156 156 ILE HD11 H 1 0.960 0.02 . 1 . . . . 156 ILE HD11 . 6823 1 1927 . 1 1 156 156 ILE HD12 H 1 0.960 0.02 . 1 . . . . 156 ILE HD11 . 6823 1 1928 . 1 1 156 156 ILE HD13 H 1 0.960 0.02 . 1 . . . . 156 ILE HD11 . 6823 1 1929 . 1 1 156 156 ILE C C 13 174.471 0.3 . 1 . . . . 156 ILE C . 6823 1 1930 . 1 1 156 156 ILE CA C 13 60.908 0.3 . 1 . . . . 156 ILE CA . 6823 1 1931 . 1 1 156 156 ILE CB C 13 40.732 0.3 . 1 . . . . 156 ILE CB . 6823 1 1932 . 1 1 156 156 ILE CG1 C 13 27.540 0.3 . 1 . . . . 156 ILE CG1 . 6823 1 1933 . 1 1 156 156 ILE CG2 C 13 17.810 0.3 . 1 . . . . 156 ILE CG2 . 6823 1 1934 . 1 1 156 156 ILE CD1 C 13 15.730 0.3 . 1 . . . . 156 ILE CD1 . 6823 1 1935 . 1 1 156 156 ILE N N 15 121.117 0.3 . 1 . . . . 156 ILE N . 6823 1 1936 . 1 1 157 157 PHE H H 1 8.840 0.02 . 1 . . . . 157 PHE HN . 6823 1 1937 . 1 1 157 157 PHE HA H 1 5.529 0.02 . 1 . . . . 157 PHE HA . 6823 1 1938 . 1 1 157 157 PHE HB2 H 1 3.300 0.02 . 2 . . . . 157 PHE HB1 . 6823 1 1939 . 1 1 157 157 PHE HB3 H 1 2.490 0.02 . 2 . . . . 157 PHE HB2 . 6823 1 1940 . 1 1 157 157 PHE HD1 H 1 7.130 0.02 . 1 . . . . 157 PHE HD1 . 6823 1 1941 . 1 1 157 157 PHE HD2 H 1 7.130 0.02 . 1 . . . . 157 PHE HD2 . 6823 1 1942 . 1 1 157 157 PHE HE1 H 1 6.980 0.02 . 1 . . . . 157 PHE HE1 . 6823 1 1943 . 1 1 157 157 PHE HE2 H 1 6.980 0.02 . 1 . . . . 157 PHE HE2 . 6823 1 1944 . 1 1 157 157 PHE HZ H 1 7.600 0.02 . 1 . . . . 157 PHE HZ . 6823 1 1945 . 1 1 157 157 PHE C C 13 177.698 0.3 . 1 . . . . 157 PHE C . 6823 1 1946 . 1 1 157 157 PHE CA C 13 56.869 0.3 . 1 . . . . 157 PHE CA . 6823 1 1947 . 1 1 157 157 PHE CB C 13 42.267 0.3 . 1 . . . . 157 PHE CB . 6823 1 1948 . 1 1 157 157 PHE CD1 C 13 130.790 0.3 . 1 . . . . 157 PHE CD1 . 6823 1 1949 . 1 1 157 157 PHE CD2 C 13 130.790 0.3 . 1 . . . . 157 PHE CD2 . 6823 1 1950 . 1 1 157 157 PHE CE1 C 13 130.790 0.3 . 1 . . . . 157 PHE CE1 . 6823 1 1951 . 1 1 157 157 PHE CE2 C 13 130.790 0.3 . 1 . . . . 157 PHE CE2 . 6823 1 1952 . 1 1 157 157 PHE N N 15 122.208 0.3 . 1 . . . . 157 PHE N . 6823 1 1953 . 1 1 158 158 GLY H H 1 7.793 0.02 . 1 . . . . 158 GLY HN . 6823 1 1954 . 1 1 158 158 GLY HA2 H 1 4.820 0.02 . 2 . . . . 158 GLY HA1 . 6823 1 1955 . 1 1 158 158 GLY HA3 H 1 4.210 0.02 . 2 . . . . 158 GLY HA2 . 6823 1 1956 . 1 1 158 158 GLY C C 13 170.285 0.3 . 1 . . . . 158 GLY C . 6823 1 1957 . 1 1 158 158 GLY CA C 13 47.787 0.3 . 1 . . . . 158 GLY CA . 6823 1 1958 . 1 1 158 158 GLY N N 15 103.477 0.3 . 1 . . . . 158 GLY N . 6823 1 1959 . 1 1 159 159 ILE H H 1 8.537 0.02 . 1 . . . . 159 ILE HN . 6823 1 1960 . 1 1 159 159 ILE HA H 1 5.642 0.02 . 1 . . . . 159 ILE HA . 6823 1 1961 . 1 1 159 159 ILE HB H 1 1.900 0.02 . 1 . . . . 159 ILE HB . 6823 1 1962 . 1 1 159 159 ILE HG12 H 1 1.230 0.02 . 2 . . . . 159 ILE HG11 . 6823 1 1963 . 1 1 159 159 ILE HG13 H 1 1.570 0.02 . 2 . . . . 159 ILE HG12 . 6823 1 1964 . 1 1 159 159 ILE HG21 H 1 1.000 0.02 . 1 . . . . 159 ILE HG21 . 6823 1 1965 . 1 1 159 159 ILE HG22 H 1 1.000 0.02 . 1 . . . . 159 ILE HG21 . 6823 1 1966 . 1 1 159 159 ILE HG23 H 1 1.000 0.02 . 1 . . . . 159 ILE HG21 . 6823 1 1967 . 1 1 159 159 ILE HD11 H 1 0.880 0.02 . 1 . . . . 159 ILE HD11 . 6823 1 1968 . 1 1 159 159 ILE HD12 H 1 0.880 0.02 . 1 . . . . 159 ILE HD11 . 6823 1 1969 . 1 1 159 159 ILE HD13 H 1 0.880 0.02 . 1 . . . . 159 ILE HD11 . 6823 1 1970 . 1 1 159 159 ILE C C 13 175.442 0.3 . 1 . . . . 159 ILE C . 6823 1 1971 . 1 1 159 159 ILE CA C 13 57.443 0.3 . 1 . . . . 159 ILE CA . 6823 1 1972 . 1 1 159 159 ILE CB C 13 41.781 0.3 . 1 . . . . 159 ILE CB . 6823 1 1973 . 1 1 159 159 ILE CG1 C 13 26.130 0.3 . 2 . . . . 159 ILE CG1 . 6823 1 1974 . 1 1 159 159 ILE CG2 C 13 18.480 0.3 . 1 . . . . 159 ILE CG2 . 6823 1 1975 . 1 1 159 159 ILE CD1 C 13 13.010 0.3 . 1 . . . . 159 ILE CD1 . 6823 1 1976 . 1 1 159 159 ILE N N 15 114.808 0.3 . 1 . . . . 159 ILE N . 6823 1 1977 . 1 1 160 160 HIS H H 1 10.467 0.02 . 1 . . . . 160 HIS HN . 6823 1 1978 . 1 1 160 160 HIS HA H 1 4.750 0.02 . 1 . . . . 160 HIS HA . 6823 1 1979 . 1 1 160 160 HIS HB2 H 1 3.270 0.02 . 2 . . . . 160 HIS HB1 . 6823 1 1980 . 1 1 160 160 HIS HB3 H 1 3.180 0.02 . 2 . . . . 160 HIS HB2 . 6823 1 1981 . 1 1 160 160 HIS HD2 H 1 6.730 0.02 . 3 . . . . 160 HIS HD2 . 6823 1 1982 . 1 1 160 160 HIS HE1 H 1 8.400 0.02 . 3 . . . . 160 HIS HE1 . 6823 1 1983 . 1 1 160 160 HIS C C 13 177.635 0.3 . 1 . . . . 160 HIS C . 6823 1 1984 . 1 1 160 160 HIS CA C 13 60.025 0.3 . 1 . . . . 160 HIS CA . 6823 1 1985 . 1 1 160 160 HIS CB C 13 31.760 0.3 . 1 . . . . 160 HIS CB . 6823 1 1986 . 1 1 160 160 HIS CD2 C 13 115.800 0.3 . 1 . . . . 160 HIS CD2 . 6823 1 1987 . 1 1 160 160 HIS CE1 C 13 141.370 0.3 . 1 . . . . 160 HIS CE1 . 6823 1 1988 . 1 1 160 160 HIS N N 15 125.828 0.3 . 1 . . . . 160 HIS N . 6823 1 1989 . 1 1 161 161 VAL H H 1 9.294 0.02 . 1 . . . . 161 VAL HN . 6823 1 1990 . 1 1 161 161 VAL HA H 1 5.201 0.02 . 1 . . . . 161 VAL HA . 6823 1 1991 . 1 1 161 161 VAL HB H 1 2.720 0.02 . 1 . . . . 161 VAL HB . 6823 1 1992 . 1 1 161 161 VAL HG11 H 1 1.300 0.02 . 2 . . . . 161 VAL HG1 . 6823 1 1993 . 1 1 161 161 VAL HG12 H 1 1.300 0.02 . 2 . . . . 161 VAL HG1 . 6823 1 1994 . 1 1 161 161 VAL HG13 H 1 1.300 0.02 . 2 . . . . 161 VAL HG1 . 6823 1 1995 . 1 1 161 161 VAL HG21 H 1 0.730 0.02 . 2 . . . . 161 VAL HG2 . 6823 1 1996 . 1 1 161 161 VAL HG22 H 1 0.730 0.02 . 2 . . . . 161 VAL HG2 . 6823 1 1997 . 1 1 161 161 VAL HG23 H 1 0.730 0.02 . 2 . . . . 161 VAL HG2 . 6823 1 1998 . 1 1 161 161 VAL C C 13 175.777 0.3 . 1 . . . . 161 VAL C . 6823 1 1999 . 1 1 161 161 VAL CA C 13 61.472 0.3 . 1 . . . . 161 VAL CA . 6823 1 2000 . 1 1 161 161 VAL CB C 13 35.711 0.3 . 1 . . . . 161 VAL CB . 6823 1 2001 . 1 1 161 161 VAL CG1 C 13 21.930 0.3 . 1 . . . . 161 VAL CG1 . 6823 1 2002 . 1 1 161 161 VAL CG2 C 13 20.100 0.3 . 1 . . . . 161 VAL CG2 . 6823 1 2003 . 1 1 161 161 VAL N N 15 117.925 0.3 . 1 . . . . 161 VAL N . 6823 1 2004 . 1 1 162 162 GLY H H 1 7.277 0.02 . 1 . . . . 162 GLY HN . 6823 1 2005 . 1 1 162 162 GLY HA2 H 1 3.663 0.02 . 2 . . . . 162 GLY HA1 . 6823 1 2006 . 1 1 162 162 GLY HA3 H 1 4.940 0.02 . 2 . . . . 162 GLY HA2 . 6823 1 2007 . 1 1 162 162 GLY C C 13 170.441 0.3 . 1 . . . . 162 GLY C . 6823 1 2008 . 1 1 162 162 GLY CA C 13 46.560 0.3 . 1 . . . . 162 GLY CA . 6823 1 2009 . 1 1 162 162 GLY N N 15 105.761 0.3 . 1 . . . . 162 GLY N . 6823 1 2010 . 1 1 163 163 GLY H H 1 8.676 0.02 . 1 . . . . 163 GLY HN . 6823 1 2011 . 1 1 163 163 GLY HA2 H 1 4.320 0.02 . 2 . . . . 163 GLY HA1 . 6823 1 2012 . 1 1 163 163 GLY HA3 H 1 4.870 0.02 . 2 . . . . 163 GLY HA2 . 6823 1 2013 . 1 1 163 163 GLY C C 13 172.896 0.3 . 1 . . . . 163 GLY C . 6823 1 2014 . 1 1 163 163 GLY CA C 13 46.896 0.3 . 1 . . . . 163 GLY CA . 6823 1 2015 . 1 1 163 163 GLY N N 15 103.578 0.3 . 1 . . . . 163 GLY N . 6823 1 2016 . 1 1 164 164 ASN H H 1 8.156 0.02 . 1 . . . . 164 ASN HN . 6823 1 2017 . 1 1 164 164 ASN HA H 1 5.374 0.02 . 1 . . . . 164 ASN HA . 6823 1 2018 . 1 1 164 164 ASN HB2 H 1 2.770 0.02 . 2 . . . . 164 ASN HB1 . 6823 1 2019 . 1 1 164 164 ASN HB3 H 1 3.560 0.02 . 2 . . . . 164 ASN HB2 . 6823 1 2020 . 1 1 164 164 ASN C C 13 175.809 0.3 . 1 . . . . 164 ASN C . 6823 1 2021 . 1 1 164 164 ASN CA C 13 51.867 0.3 . 1 . . . . 164 ASN CA . 6823 1 2022 . 1 1 164 164 ASN CB C 13 40.117 0.3 . 1 . . . . 164 ASN CB . 6823 1 2023 . 1 1 164 164 ASN N N 15 117.352 0.3 . 1 . . . . 164 ASN N . 6823 1 2024 . 1 1 165 165 GLY H H 1 9.130 0.02 . 1 . . . . 165 GLY HN . 6823 1 2025 . 1 1 165 165 GLY HA2 H 1 3.650 0.02 . 2 . . . . 165 GLY HA1 . 6823 1 2026 . 1 1 165 165 GLY HA3 H 1 4.660 0.02 . 2 . . . . 165 GLY HA2 . 6823 1 2027 . 1 1 165 165 GLY C C 13 174.336 0.3 . 1 . . . . 165 GLY C . 6823 1 2028 . 1 1 165 165 GLY CA C 13 45.458 0.3 . 1 . . . . 165 GLY CA . 6823 1 2029 . 1 1 165 165 GLY N N 15 111.578 0.3 . 1 . . . . 165 GLY N . 6823 1 2030 . 1 1 166 166 ARG H H 1 7.744 0.02 . 1 . . . . 166 ARG HN . 6823 1 2031 . 1 1 166 166 ARG HA H 1 4.401 0.02 . 1 . . . . 166 ARG HA . 6823 1 2032 . 1 1 166 166 ARG HB2 H 1 1.830 0.02 . 2 . . . . 166 ARG HB1 . 6823 1 2033 . 1 1 166 166 ARG HB3 H 1 1.670 0.02 . 2 . . . . 166 ARG HB2 . 6823 1 2034 . 1 1 166 166 ARG HG2 H 1 1.540 0.02 . 1 . . . . 166 ARG HG1 . 6823 1 2035 . 1 1 166 166 ARG HG3 H 1 1.540 0.02 . 1 . . . . 166 ARG HG2 . 6823 1 2036 . 1 1 166 166 ARG HD2 H 1 3.140 0.02 . 1 . . . . 166 ARG HD1 . 6823 1 2037 . 1 1 166 166 ARG HD3 H 1 3.140 0.02 . 1 . . . . 166 ARG HD2 . 6823 1 2038 . 1 1 166 166 ARG C C 13 174.081 0.3 . 1 . . . . 166 ARG C . 6823 1 2039 . 1 1 166 166 ARG CA C 13 56.488 0.3 . 1 . . . . 166 ARG CA . 6823 1 2040 . 1 1 166 166 ARG CB C 13 32.818 0.3 . 1 . . . . 166 ARG CB . 6823 1 2041 . 1 1 166 166 ARG CG C 13 27.160 0.3 . 1 . . . . 166 ARG CG . 6823 1 2042 . 1 1 166 166 ARG CD C 13 43.070 0.3 . 1 . . . . 166 ARG CD . 6823 1 2043 . 1 1 166 166 ARG N N 15 117.491 0.3 . 1 . . . . 166 ARG N . 6823 1 2044 . 1 1 167 167 GLN H H 1 8.431 0.02 . 1 . . . . 167 GLN HN . 6823 1 2045 . 1 1 167 167 GLN HA H 1 4.965 0.02 . 1 . . . . 167 GLN HA . 6823 1 2046 . 1 1 167 167 GLN HB2 H 1 1.970 0.02 . 2 . . . . 167 GLN HB1 . 6823 1 2047 . 1 1 167 167 GLN HB3 H 1 2.050 0.02 . 2 . . . . 167 GLN HB2 . 6823 1 2048 . 1 1 167 167 GLN HG2 H 1 2.080 0.02 . 2 . . . . 167 GLN HG1 . 6823 1 2049 . 1 1 167 167 GLN HG3 H 1 2.440 0.02 . 2 . . . . 167 GLN HG2 . 6823 1 2050 . 1 1 167 167 GLN HE21 H 1 7.830 0.02 . 2 . . . . 167 GLN HE21 . 6823 1 2051 . 1 1 167 167 GLN HE22 H 1 6.630 0.02 . 2 . . . . 167 GLN HE22 . 6823 1 2052 . 1 1 167 167 GLN C C 13 175.438 0.3 . 1 . . . . 167 GLN C . 6823 1 2053 . 1 1 167 167 GLN CA C 13 54.361 0.3 . 1 . . . . 167 GLN CA . 6823 1 2054 . 1 1 167 167 GLN CB C 13 32.909 0.3 . 1 . . . . 167 GLN CB . 6823 1 2055 . 1 1 167 167 GLN CG C 13 34.580 0.3 . 1 . . . . 167 GLN CG . 6823 1 2056 . 1 1 167 167 GLN CD C 13 180.420 0.3 . 1 . . . . 167 GLN CD . 6823 1 2057 . 1 1 167 167 GLN N N 15 117.029 0.3 . 1 . . . . 167 GLN N . 6823 1 2058 . 1 1 167 167 GLN NE2 N 15 112.630 0.3 . 1 . . . . 167 GLN NE2 . 6823 1 2059 . 1 1 168 168 GLY H H 1 8.562 0.02 . 1 . . . . 168 GLY HN . 6823 1 2060 . 1 1 168 168 GLY HA2 H 1 3.660 0.02 . 2 . . . . 168 GLY HA1 . 6823 1 2061 . 1 1 168 168 GLY HA3 H 1 5.100 0.02 . 2 . . . . 168 GLY HA2 . 6823 1 2062 . 1 1 168 168 GLY C C 13 169.542 0.3 . 1 . . . . 168 GLY C . 6823 1 2063 . 1 1 168 168 GLY CA C 13 44.596 0.3 . 1 . . . . 168 GLY CA . 6823 1 2064 . 1 1 168 168 GLY N N 15 109.774 0.3 . 1 . . . . 168 GLY N . 6823 1 2065 . 1 1 169 169 PHE H H 1 8.264 0.02 . 1 . . . . 169 PHE HN . 6823 1 2066 . 1 1 169 169 PHE HA H 1 5.680 0.02 . 1 . . . . 169 PHE HA . 6823 1 2067 . 1 1 169 169 PHE HB2 H 1 2.950 0.02 . 2 . . . . 169 PHE HB1 . 6823 1 2068 . 1 1 169 169 PHE HB3 H 1 1.990 0.02 . 2 . . . . 169 PHE HB2 . 6823 1 2069 . 1 1 169 169 PHE HD1 H 1 6.550 0.02 . 3 . . . . 169 PHE HD1 . 6823 1 2070 . 1 1 169 169 PHE HD2 H 1 6.590 0.02 . 3 . . . . 169 PHE HD2 . 6823 1 2071 . 1 1 169 169 PHE HE1 H 1 6.780 0.02 . 1 . . . . 169 PHE HE1 . 6823 1 2072 . 1 1 169 169 PHE HE2 H 1 6.780 0.02 . 1 . . . . 169 PHE HE2 . 6823 1 2073 . 1 1 169 169 PHE HZ H 1 7.110 0.02 . 1 . . . . 169 PHE HZ . 6823 1 2074 . 1 1 169 169 PHE C C 13 175.406 0.3 . 1 . . . . 169 PHE C . 6823 1 2075 . 1 1 169 169 PHE CA C 13 55.715 0.3 . 1 . . . . 169 PHE CA . 6823 1 2076 . 1 1 169 169 PHE CB C 13 43.383 0.3 . 1 . . . . 169 PHE CB . 6823 1 2077 . 1 1 169 169 PHE CD1 C 13 131.410 0.3 . 1 . . . . 169 PHE CD1 . 6823 1 2078 . 1 1 169 169 PHE CD2 C 13 131.410 0.3 . 1 . . . . 169 PHE CD2 . 6823 1 2079 . 1 1 169 169 PHE CE1 C 13 130.200 0.3 . 1 . . . . 169 PHE CE1 . 6823 1 2080 . 1 1 169 169 PHE CE2 C 13 130.200 0.3 . 1 . . . . 169 PHE CE2 . 6823 1 2081 . 1 1 169 169 PHE N N 15 113.099 0.3 . 1 . . . . 169 PHE N . 6823 1 2082 . 1 1 170 170 SER H H 1 9.857 0.02 . 1 . . . . 170 SER HN . 6823 1 2083 . 1 1 170 170 SER HA H 1 5.701 0.02 . 1 . . . . 170 SER HA . 6823 1 2084 . 1 1 170 170 SER HB2 H 1 3.920 0.02 . 2 . . . . 170 SER HB1 . 6823 1 2085 . 1 1 170 170 SER HB3 H 1 3.550 0.02 . 2 . . . . 170 SER HB2 . 6823 1 2086 . 1 1 170 170 SER C C 13 173.909 0.3 . 1 . . . . 170 SER C . 6823 1 2087 . 1 1 170 170 SER CA C 13 58.614 0.3 . 1 . . . . 170 SER CA . 6823 1 2088 . 1 1 170 170 SER CB C 13 68.520 0.3 . 1 . . . . 170 SER CB . 6823 1 2089 . 1 1 170 170 SER N N 15 119.784 0.3 . 1 . . . . 170 SER N . 6823 1 2090 . 1 1 171 171 ALA H H 1 9.384 0.02 . 1 . . . . 171 ALA HN . 6823 1 2091 . 1 1 171 171 ALA HA H 1 3.950 0.02 . 1 . . . . 171 ALA HA . 6823 1 2092 . 1 1 171 171 ALA HB1 H 1 1.480 0.02 . 1 . . . . 171 ALA HB . 6823 1 2093 . 1 1 171 171 ALA HB2 H 1 1.480 0.02 . 1 . . . . 171 ALA HB . 6823 1 2094 . 1 1 171 171 ALA HB3 H 1 1.480 0.02 . 1 . . . . 171 ALA HB . 6823 1 2095 . 1 1 171 171 ALA C C 13 177.401 0.3 . 1 . . . . 171 ALA C . 6823 1 2096 . 1 1 171 171 ALA CA C 13 51.674 0.3 . 1 . . . . 171 ALA CA . 6823 1 2097 . 1 1 171 171 ALA CB C 13 20.902 0.3 . 1 . . . . 171 ALA CB . 6823 1 2098 . 1 1 171 171 ALA N N 15 125.510 0.3 . 1 . . . . 171 ALA N . 6823 1 2099 . 1 1 172 172 GLN H H 1 7.940 0.02 . 1 . . . . 172 GLN HN . 6823 1 2100 . 1 1 172 172 GLN HA H 1 4.525 0.02 . 1 . . . . 172 GLN HA . 6823 1 2101 . 1 1 172 172 GLN HB2 H 1 2.660 0.02 . 2 . . . . 172 GLN HB1 . 6823 1 2102 . 1 1 172 172 GLN HB3 H 1 1.920 0.02 . 2 . . . . 172 GLN HB2 . 6823 1 2103 . 1 1 172 172 GLN HG2 H 1 2.100 0.02 . 2 . . . . 172 GLN HG1 . 6823 1 2104 . 1 1 172 172 GLN HG3 H 1 2.710 0.02 . 2 . . . . 172 GLN HG2 . 6823 1 2105 . 1 1 172 172 GLN HE21 H 1 6.910 0.02 . 2 . . . . 172 GLN HE21 . 6823 1 2106 . 1 1 172 172 GLN HE22 H 1 7.590 0.02 . 2 . . . . 172 GLN HE22 . 6823 1 2107 . 1 1 172 172 GLN C C 13 176.663 0.3 . 1 . . . . 172 GLN C . 6823 1 2108 . 1 1 172 172 GLN CA C 13 57.189 0.3 . 1 . . . . 172 GLN CA . 6823 1 2109 . 1 1 172 172 GLN CB C 13 30.231 0.3 . 1 . . . . 172 GLN CB . 6823 1 2110 . 1 1 172 172 GLN CG C 13 34.050 0.3 . 1 . . . . 172 GLN CG . 6823 1 2111 . 1 1 172 172 GLN CD C 13 180.150 0.3 . 1 . . . . 172 GLN CD . 6823 1 2112 . 1 1 172 172 GLN N N 15 124.150 0.3 . 1 . . . . 172 GLN N . 6823 1 2113 . 1 1 172 172 GLN NE2 N 15 112.290 0.3 . 1 . . . . 172 GLN NE2 . 6823 1 2114 . 1 1 173 173 LEU H H 1 8.510 0.02 . 1 . . . . 173 LEU HN . 6823 1 2115 . 1 1 173 173 LEU HA H 1 4.591 0.02 . 1 . . . . 173 LEU HA . 6823 1 2116 . 1 1 173 173 LEU HB2 H 1 1.610 0.02 . 2 . . . . 173 LEU HB1 . 6823 1 2117 . 1 1 173 173 LEU HB3 H 1 1.240 0.02 . 2 . . . . 173 LEU HB2 . 6823 1 2118 . 1 1 173 173 LEU HG H 1 1.210 0.02 . 1 . . . . 173 LEU HG . 6823 1 2119 . 1 1 173 173 LEU HD11 H 1 0.800 0.02 . 2 . . . . 173 LEU HD1 . 6823 1 2120 . 1 1 173 173 LEU HD12 H 1 0.800 0.02 . 2 . . . . 173 LEU HD1 . 6823 1 2121 . 1 1 173 173 LEU HD13 H 1 0.800 0.02 . 2 . . . . 173 LEU HD1 . 6823 1 2122 . 1 1 173 173 LEU HD21 H 1 0.790 0.02 . 2 . . . . 173 LEU HD2 . 6823 1 2123 . 1 1 173 173 LEU HD22 H 1 0.790 0.02 . 2 . . . . 173 LEU HD2 . 6823 1 2124 . 1 1 173 173 LEU HD23 H 1 0.790 0.02 . 2 . . . . 173 LEU HD2 . 6823 1 2125 . 1 1 173 173 LEU C C 13 172.729 0.3 . 1 . . . . 173 LEU C . 6823 1 2126 . 1 1 173 173 LEU CA C 13 54.196 0.3 . 1 . . . . 173 LEU CA . 6823 1 2127 . 1 1 173 173 LEU CB C 13 44.655 0.3 . 1 . . . . 173 LEU CB . 6823 1 2128 . 1 1 173 173 LEU CG C 13 24.900 0.3 . 1 . . . . 173 LEU CG . 6823 1 2129 . 1 1 173 173 LEU CD1 C 13 27.500 0.3 . 1 . . . . 173 LEU CD1 . 6823 1 2130 . 1 1 173 173 LEU CD2 C 13 26.300 0.3 . 1 . . . . 173 LEU CD2 . 6823 1 2131 . 1 1 173 173 LEU N N 15 125.131 0.3 . 1 . . . . 173 LEU N . 6823 1 2132 . 1 1 174 174 LYS H H 1 5.689 0.02 . 1 . . . . 174 LYS HN . 6823 1 2133 . 1 1 174 174 LYS HA H 1 4.493 0.02 . 1 . . . . 174 LYS HA . 6823 1 2134 . 1 1 174 174 LYS HB2 H 1 1.500 0.02 . 2 . . . . 174 LYS HB1 . 6823 1 2135 . 1 1 174 174 LYS HB3 H 1 -0.280 0.02 . 2 . . . . 174 LYS HB2 . 6823 1 2136 . 1 1 174 174 LYS HG2 H 1 1.050 0.02 . 2 . . . . 174 LYS HG1 . 6823 1 2137 . 1 1 174 174 LYS HG3 H 1 0.940 0.02 . 2 . . . . 174 LYS HG2 . 6823 1 2138 . 1 1 174 174 LYS HD2 H 1 1.500 0.02 . 2 . . . . 174 LYS HD1 . 6823 1 2139 . 1 1 174 174 LYS HD3 H 1 1.300 0.02 . 2 . . . . 174 LYS HD2 . 6823 1 2140 . 1 1 174 174 LYS HE2 H 1 2.770 0.02 . 1 . . . . 174 LYS HE1 . 6823 1 2141 . 1 1 174 174 LYS HE3 H 1 2.770 0.02 . 1 . . . . 174 LYS HE2 . 6823 1 2142 . 1 1 174 174 LYS C C 13 176.878 0.3 . 1 . . . . 174 LYS C . 6823 1 2143 . 1 1 174 174 LYS CA C 13 53.889 0.3 . 1 . . . . 174 LYS CA . 6823 1 2144 . 1 1 174 174 LYS CB C 13 34.652 0.3 . 1 . . . . 174 LYS CB . 6823 1 2145 . 1 1 174 174 LYS CG C 13 24.950 0.3 . 1 . . . . 174 LYS CG . 6823 1 2146 . 1 1 174 174 LYS CD C 13 29.250 0.3 . 1 . . . . 174 LYS CD . 6823 1 2147 . 1 1 174 174 LYS CE C 13 41.240 0.3 . 1 . . . . 174 LYS CE . 6823 1 2148 . 1 1 174 174 LYS N N 15 115.006 0.3 . 1 . . . . 174 LYS N . 6823 1 2149 . 1 1 175 175 LYS H H 1 9.174 0.02 . 1 . . . . 175 LYS HN . 6823 1 2150 . 1 1 175 175 LYS HA H 1 3.810 0.02 . 1 . . . . 175 LYS HA . 6823 1 2151 . 1 1 175 175 LYS HB2 H 1 1.770 0.02 . 2 . . . . 175 LYS HB1 . 6823 1 2152 . 1 1 175 175 LYS HB3 H 1 1.800 0.02 . 2 . . . . 175 LYS HB2 . 6823 1 2153 . 1 1 175 175 LYS HG2 H 1 1.460 0.02 . 2 . . . . 175 LYS HG1 . 6823 1 2154 . 1 1 175 175 LYS HG3 H 1 1.440 0.02 . 2 . . . . 175 LYS HG2 . 6823 1 2155 . 1 1 175 175 LYS HD2 H 1 1.700 0.02 . 1 . . . . 175 LYS HD1 . 6823 1 2156 . 1 1 175 175 LYS HD3 H 1 1.700 0.02 . 1 . . . . 175 LYS HD2 . 6823 1 2157 . 1 1 175 175 LYS HE2 H 1 3.040 0.02 . 1 . . . . 175 LYS HE1 . 6823 1 2158 . 1 1 175 175 LYS HE3 H 1 3.040 0.02 . 1 . . . . 175 LYS HE2 . 6823 1 2159 . 1 1 175 175 LYS C C 13 179.448 0.3 . 1 . . . . 175 LYS C . 6823 1 2160 . 1 1 175 175 LYS CA C 13 60.826 0.3 . 1 . . . . 175 LYS CA . 6823 1 2161 . 1 1 175 175 LYS CB C 13 32.669 0.3 . 1 . . . . 175 LYS CB . 6823 1 2162 . 1 1 175 175 LYS CG C 13 26.300 0.3 . 1 . . . . 175 LYS CG . 6823 1 2163 . 1 1 175 175 LYS CD C 13 29.700 0.3 . 1 . . . . 175 LYS CD . 6823 1 2164 . 1 1 175 175 LYS CE C 13 41.710 0.3 . 1 . . . . 175 LYS CE . 6823 1 2165 . 1 1 175 175 LYS N N 15 123.845 0.3 . 1 . . . . 175 LYS N . 6823 1 2166 . 1 1 176 176 GLN H H 1 8.597 0.02 . 1 . . . . 176 GLN HN . 6823 1 2167 . 1 1 176 176 GLN HA H 1 4.040 0.02 . 1 . . . . 176 GLN HA . 6823 1 2168 . 1 1 176 176 GLN HB2 H 1 2.030 0.02 . 2 . . . . 176 GLN HB1 . 6823 1 2169 . 1 1 176 176 GLN HB3 H 1 1.940 0.02 . 2 . . . . 176 GLN HB2 . 6823 1 2170 . 1 1 176 176 GLN HG2 H 1 2.250 0.02 . 1 . . . . 176 GLN HG1 . 6823 1 2171 . 1 1 176 176 GLN HG3 H 1 2.250 0.02 . 1 . . . . 176 GLN HG2 . 6823 1 2172 . 1 1 176 176 GLN HE21 H 1 7.030 0.02 . 2 . . . . 176 GLN HE21 . 6823 1 2173 . 1 1 176 176 GLN HE22 H 1 7.560 0.02 . 2 . . . . 176 GLN HE22 . 6823 1 2174 . 1 1 176 176 GLN C C 13 176.415 0.3 . 1 . . . . 176 GLN C . 6823 1 2175 . 1 1 176 176 GLN CA C 13 57.967 0.3 . 1 . . . . 176 GLN CA . 6823 1 2176 . 1 1 176 176 GLN CB C 13 28.435 0.3 . 1 . . . . 176 GLN CB . 6823 1 2177 . 1 1 176 176 GLN CG C 13 33.460 0.3 . 1 . . . . 176 GLN CG . 6823 1 2178 . 1 1 176 176 GLN CD C 13 180.140 0.3 . 1 . . . . 176 GLN CD . 6823 1 2179 . 1 1 176 176 GLN N N 15 114.310 0.3 . 1 . . . . 176 GLN N . 6823 1 2180 . 1 1 176 176 GLN NE2 N 15 112.210 0.3 . 1 . . . . 176 GLN NE2 . 6823 1 2181 . 1 1 177 177 TYR H H 1 6.865 0.02 . 1 . . . . 177 TYR HN . 6823 1 2182 . 1 1 177 177 TYR HA H 1 4.438 0.02 . 1 . . . . 177 TYR HA . 6823 1 2183 . 1 1 177 177 TYR HB2 H 1 2.300 0.02 . 2 . . . . 177 TYR HB1 . 6823 1 2184 . 1 1 177 177 TYR HB3 H 1 1.960 0.02 . 2 . . . . 177 TYR HB2 . 6823 1 2185 . 1 1 177 177 TYR HD1 H 1 6.730 0.02 . 1 . . . . 177 TYR HD1 . 6823 1 2186 . 1 1 177 177 TYR HD2 H 1 6.730 0.02 . 1 . . . . 177 TYR HD2 . 6823 1 2187 . 1 1 177 177 TYR HE1 H 1 7.080 0.02 . 3 . . . . 177 TYR HE1 . 6823 1 2188 . 1 1 177 177 TYR HE2 H 1 7.060 0.02 . 3 . . . . 177 TYR HE2 . 6823 1 2189 . 1 1 177 177 TYR C C 13 176.371 0.3 . 1 . . . . 177 TYR C . 6823 1 2190 . 1 1 177 177 TYR CA C 13 55.352 0.3 . 1 . . . . 177 TYR CA . 6823 1 2191 . 1 1 177 177 TYR CB C 13 35.389 0.3 . 1 . . . . 177 TYR CB . 6823 1 2192 . 1 1 177 177 TYR CD1 C 13 130.170 0.3 . 1 . . . . 177 TYR CD1 . 6823 1 2193 . 1 1 177 177 TYR CD2 C 13 130.170 0.3 . 1 . . . . 177 TYR CD2 . 6823 1 2194 . 1 1 177 177 TYR CE1 C 13 118.950 0.3 . 1 . . . . 177 TYR CE1 . 6823 1 2195 . 1 1 177 177 TYR CE2 C 13 118.950 0.3 . 1 . . . . 177 TYR CE2 . 6823 1 2196 . 1 1 177 177 TYR N N 15 116.009 0.3 . 1 . . . . 177 TYR N . 6823 1 2197 . 1 1 178 178 PHE H H 1 7.509 0.02 . 1 . . . . 178 PHE HN . 6823 1 2198 . 1 1 178 178 PHE HA H 1 5.076 0.02 . 1 . . . . 178 PHE HA . 6823 1 2199 . 1 1 178 178 PHE HB2 H 1 2.650 0.02 . 2 . . . . 178 PHE HB1 . 6823 1 2200 . 1 1 178 178 PHE HB3 H 1 3.450 0.02 . 2 . . . . 178 PHE HB2 . 6823 1 2201 . 1 1 178 178 PHE HD1 H 1 7.340 0.02 . 1 . . . . 178 PHE HD1 . 6823 1 2202 . 1 1 178 178 PHE HD2 H 1 7.340 0.02 . 1 . . . . 178 PHE HD2 . 6823 1 2203 . 1 1 178 178 PHE HE1 H 1 7.050 0.02 . 1 . . . . 178 PHE HE1 . 6823 1 2204 . 1 1 178 178 PHE HE2 H 1 7.050 0.02 . 1 . . . . 178 PHE HE2 . 6823 1 2205 . 1 1 178 178 PHE HZ H 1 7.150 0.02 . 1 . . . . 178 PHE HZ . 6823 1 2206 . 1 1 178 178 PHE C C 13 174.654 0.3 . 1 . . . . 178 PHE C . 6823 1 2207 . 1 1 178 178 PHE CA C 13 56.107 0.3 . 1 . . . . 178 PHE CA . 6823 1 2208 . 1 1 178 178 PHE CB C 13 40.685 0.3 . 1 . . . . 178 PHE CB . 6823 1 2209 . 1 1 178 178 PHE CD1 C 13 133.280 0.3 . 3 . . . . 178 PHE CD1 . 6823 1 2210 . 1 1 178 178 PHE CD2 C 13 133.230 0.3 . 3 . . . . 178 PHE CD2 . 6823 1 2211 . 1 1 178 178 PHE CE1 C 13 128.989 0.3 . 3 . . . . 178 PHE CE1 . 6823 1 2212 . 1 1 178 178 PHE CE2 C 13 128.980 0.3 . 3 . . . . 178 PHE CE2 . 6823 1 2213 . 1 1 178 178 PHE CZ C 13 130.790 0.3 . 1 . . . . 178 PHE CZ . 6823 1 2214 . 1 1 178 178 PHE N N 15 114.013 0.3 . 1 . . . . 178 PHE N . 6823 1 2215 . 1 1 179 179 VAL H H 1 7.313 0.02 . 1 . . . . 179 VAL HN . 6823 1 2216 . 1 1 179 179 VAL HA H 1 4.110 0.02 . 1 . . . . 179 VAL HA . 6823 1 2217 . 1 1 179 179 VAL HB H 1 2.070 0.02 . 1 . . . . 179 VAL HB . 6823 1 2218 . 1 1 179 179 VAL HG21 H 1 0.950 0.02 . 1 . . . . 179 VAL HG2 . 6823 1 2219 . 1 1 179 179 VAL HG22 H 1 0.950 0.02 . 1 . . . . 179 VAL HG2 . 6823 1 2220 . 1 1 179 179 VAL HG23 H 1 0.950 0.02 . 1 . . . . 179 VAL HG2 . 6823 1 2221 . 1 1 179 179 VAL C C 13 175.868 0.3 . 1 . . . . 179 VAL C . 6823 1 2222 . 1 1 179 179 VAL CA C 13 61.979 0.3 . 1 . . . . 179 VAL CA . 6823 1 2223 . 1 1 179 179 VAL CB C 13 32.963 0.3 . 1 . . . . 179 VAL CB . 6823 1 2224 . 1 1 179 179 VAL CG1 C 13 21.290 0.3 . 1 . . . . 179 VAL CG1 . 6823 1 2225 . 1 1 179 179 VAL CG2 C 13 20.420 0.3 . 1 . . . . 179 VAL CG2 . 6823 1 2226 . 1 1 179 179 VAL N N 15 117.965 0.3 . 1 . . . . 179 VAL N . 6823 1 2227 . 1 1 180 180 GLU H H 1 8.583 0.02 . 1 . . . . 180 GLU HN . 6823 1 2228 . 1 1 180 180 GLU HA H 1 4.259 0.02 . 1 . . . . 180 GLU HA . 6823 1 2229 . 1 1 180 180 GLU HB2 H 1 2.090 0.02 . 2 . . . . 180 GLU HB1 . 6823 1 2230 . 1 1 180 180 GLU HB3 H 1 1.950 0.02 . 2 . . . . 180 GLU HB2 . 6823 1 2231 . 1 1 180 180 GLU HG2 H 1 2.350 0.02 . 1 . . . . 180 GLU HG1 . 6823 1 2232 . 1 1 180 180 GLU HG3 H 1 2.350 0.02 . 1 . . . . 180 GLU HG2 . 6823 1 2233 . 1 1 180 180 GLU C C 13 176.239 0.3 . 1 . . . . 180 GLU C . 6823 1 2234 . 1 1 180 180 GLU CA C 13 56.793 0.3 . 1 . . . . 180 GLU CA . 6823 1 2235 . 1 1 180 180 GLU CB C 13 30.551 0.3 . 1 . . . . 180 GLU CB . 6823 1 2236 . 1 1 180 180 GLU CG C 13 36.520 0.3 . 1 . . . . 180 GLU CG . 6823 1 2237 . 1 1 180 180 GLU N N 15 125.128 0.3 . 1 . . . . 180 GLU N . 6823 1 2238 . 1 1 181 181 LYS H H 1 8.428 0.02 . 1 . . . . 181 LYS HN . 6823 1 2239 . 1 1 181 181 LYS HA H 1 4.259 0.02 . 1 . . . . 181 LYS HA . 6823 1 2240 . 1 1 181 181 LYS HB2 H 1 1.890 0.02 . 2 . . . . 181 LYS HB1 . 6823 1 2241 . 1 1 181 181 LYS HB3 H 1 1.780 0.02 . 2 . . . . 181 LYS HB2 . 6823 1 2242 . 1 1 181 181 LYS HG2 H 1 1.450 0.02 . 1 . . . . 181 LYS HG1 . 6823 1 2243 . 1 1 181 181 LYS HG3 H 1 1.450 0.02 . 1 . . . . 181 LYS HG2 . 6823 1 2244 . 1 1 181 181 LYS HD2 H 1 1.700 0.02 . 1 . . . . 181 LYS HD1 . 6823 1 2245 . 1 1 181 181 LYS HD3 H 1 1.700 0.02 . 1 . . . . 181 LYS HD2 . 6823 1 2246 . 1 1 181 181 LYS HE2 H 1 2.910 0.02 . 2 . . . . 181 LYS HE1 . 6823 1 2247 . 1 1 181 181 LYS HE3 H 1 2.590 0.02 . 2 . . . . 181 LYS HE2 . 6823 1 2248 . 1 1 181 181 LYS C C 13 175.490 0.3 . 1 . . . . 181 LYS C . 6823 1 2249 . 1 1 181 181 LYS CA C 13 56.488 0.3 . 1 . . . . 181 LYS CA . 6823 1 2250 . 1 1 181 181 LYS CB C 13 33.146 0.3 . 1 . . . . 181 LYS CB . 6823 1 2251 . 1 1 181 181 LYS CG C 13 24.620 0.3 . 1 . . . . 181 LYS CG . 6823 1 2252 . 1 1 181 181 LYS CD C 13 28.960 0.3 . 1 . . . . 181 LYS CD . 6823 1 2253 . 1 1 181 181 LYS CE C 13 41.870 0.3 . 1 . . . . 181 LYS CE . 6823 1 2254 . 1 1 181 181 LYS N N 15 123.639 0.3 . 1 . . . . 181 LYS N . 6823 1 2255 . 1 1 182 182 GLN H H 1 8.037 0.02 . 1 . . . . 182 GLN HN . 6823 1 2256 . 1 1 182 182 GLN HA H 1 4.157 0.02 . 1 . . . . 182 GLN HA . 6823 1 2257 . 1 1 182 182 GLN HB2 H 1 2.110 0.02 . 2 . . . . 182 GLN HB1 . 6823 1 2258 . 1 1 182 182 GLN HB3 H 1 1.910 0.02 . 2 . . . . 182 GLN HB2 . 6823 1 2259 . 1 1 182 182 GLN HG2 H 1 2.300 0.02 . 2 . . . . 182 GLN HG1 . 6823 1 2260 . 1 1 182 182 GLN HG3 H 1 2.290 0.02 . 2 . . . . 182 GLN HG2 . 6823 1 2261 . 1 1 182 182 GLN HE21 H 1 6.750 0.02 . 2 . . . . 182 GLN HE21 . 6823 1 2262 . 1 1 182 182 GLN HE22 H 1 7.490 0.02 . 2 . . . . 182 GLN HE22 . 6823 1 2263 . 1 1 182 182 GLN CA C 13 57.438 0.3 . 1 . . . . 182 GLN CA . 6823 1 2264 . 1 1 182 182 GLN CB C 13 30.621 0.3 . 1 . . . . 182 GLN CB . 6823 1 2265 . 1 1 182 182 GLN CG C 13 34.340 0.3 . 1 . . . . 182 GLN CG . 6823 1 2266 . 1 1 182 182 GLN CD C 13 181.180 0.3 . 1 . . . . 182 GLN CD . 6823 1 2267 . 1 1 182 182 GLN N N 15 127.654 0.3 . 1 . . . . 182 GLN N . 6823 1 2268 . 1 1 182 182 GLN NE2 N 15 112.340 0.3 . 1 . . . . 182 GLN NE2 . 6823 1 2269 . 2 2 2 2 LEU HB2 H 1 1.620 0.02 . 2 . . . . 183 LEU HB2 . 6823 1 2270 . 2 2 2 2 LEU HB3 H 1 1.450 0.02 . 2 . . . . 183 LEU HB3 . 6823 1 2271 . 2 2 2 2 LEU HA H 1 4.38 0.02 . 2 . . . . 183 LEU HA . 6823 1 2272 . 2 2 2 2 LEU HG H 1 1.310 0.02 . 2 . . . . 183 LEU HG . 6823 1 2273 . 2 2 2 2 LEU HD11 H 1 0.880 0.02 . 2 . . . . 183 LEU HD1 . 6823 1 2274 . 2 2 2 2 LEU HD12 H 1 0.880 0.02 . 2 . . . . 183 LEU HD1 . 6823 1 2275 . 2 2 2 2 LEU HD13 H 1 0.880 0.02 . 2 . . . . 183 LEU HD1 . 6823 1 2276 . 2 2 2 2 LEU HD21 H 1 0.900 0.02 . 2 . . . . 183 LEU HD2 . 6823 1 2277 . 2 2 2 2 LEU HD22 H 1 0.900 0.02 . 2 . . . . 183 LEU HD2 . 6823 1 2278 . 2 2 2 2 LEU HD23 H 1 0.900 0.02 . 2 . . . . 183 LEU HD2 . 6823 1 2279 . 2 2 3 3 GLU HA H 1 4.200 0.02 . 1 . . . . 184 GLU HA . 6823 1 2280 . 2 2 3 3 GLU HB2 H 1 1.880 0.02 . 2 . . . . 184 GLU HB2 . 6823 1 2281 . 2 2 3 3 GLU HB3 H 1 1.820 0.02 . 2 . . . . 184 GLU HB3 . 6823 1 2282 . 2 2 3 3 GLU HG2 H 1 2.200 0.02 . 2 . . . . 184 GLU HG2 . 6823 1 2283 . 2 2 3 3 GLU HG3 H 1 2.710 0.02 . 2 . . . . 184 GLU HG3 . 6823 1 2284 . 2 2 4 4 ALA HA H 1 4.320 0.02 . 1 . . . . 185 ALA HA . 6823 1 2285 . 2 2 4 4 ALA HB1 H 1 0.850 0.02 . 1 . . . . 185 ALA HB . 6823 1 2286 . 2 2 4 4 ALA HB2 H 1 0.850 0.02 . 1 . . . . 185 ALA HB . 6823 1 2287 . 2 2 4 4 ALA HB3 H 1 0.850 0.02 . 1 . . . . 185 ALA HB . 6823 1 2288 . 2 2 5 5 LEU H H 1 8.330 0.02 . 1 . . . . 186 LEU HN . 6823 1 2289 . 2 2 5 5 LEU HA H 1 4.900 0.02 . 1 . . . . 186 LEU HA . 6823 1 2290 . 2 2 5 5 LEU HB2 H 1 1.680 0.02 . 2 . . . . 186 LEU HB2 . 6823 1 2291 . 2 2 5 5 LEU HB3 H 1 1.510 0.02 . 2 . . . . 186 LEU HB3 . 6823 1 2292 . 2 2 5 5 LEU HG H 1 1.380 0.02 . 2 . . . . 186 LEU HG . 6823 1 2293 . 2 2 5 5 LEU HD11 H 1 0.900 0.02 . 2 . . . . 186 LEU HD1 . 6823 1 2294 . 2 2 5 5 LEU HD12 H 1 0.900 0.02 . 2 . . . . 186 LEU HD1 . 6823 1 2295 . 2 2 5 5 LEU HD13 H 1 0.900 0.02 . 2 . . . . 186 LEU HD1 . 6823 1 2296 . 2 2 5 5 LEU HD21 H 1 0.860 0.02 . 2 . . . . 186 LEU HD2 . 6823 1 2297 . 2 2 5 5 LEU HD22 H 1 0.860 0.02 . 2 . . . . 186 LEU HD2 . 6823 1 2298 . 2 2 5 5 LEU HD23 H 1 0.860 0.02 . 2 . . . . 186 LEU HD2 . 6823 1 2299 . 2 2 6 6 PHE H H 1 6.780 0.02 . 1 . . . . 187 PHE HN . 6823 1 2300 . 2 2 6 6 PHE HA H 1 4.970 0.02 . 1 . . . . 187 PHE HA . 6823 1 2301 . 2 2 6 6 PHE HB2 H 1 2.560 0.02 . 2 . . . . 187 PHE HB2 . 6823 1 2302 . 2 2 6 6 PHE HB3 H 1 2.430 0.02 . 2 . . . . 187 PHE HB3 . 6823 1 2303 . 2 2 6 6 PHE HD1 H 1 7.21 0.02 . 1 . . . . 187 PHE HD1 . 6823 1 2304 . 2 2 6 6 PHE HD2 H 1 7.21 0.02 . 1 . . . . 187 PHE HD2 . 6823 1 2305 . 2 2 6 6 PHE HE1 H 1 7.080 0.02 . 1 . . . . 187 PHE HE1 . 6823 1 2306 . 2 2 6 6 PHE HE2 H 1 7.080 0.02 . 1 . . . . 187 PHE HE2 . 6823 1 2307 . 2 2 6 6 PHE HZ H 1 7.27 0.02 . 1 . . . . 187 PHE HZ . 6823 1 2308 . 2 2 7 7 GLN H H 1 7.54 0.02 . 1 . . . . 188 GLN HN . 6823 1 2309 . 2 2 7 7 GLN HA H 1 4.61 0.02 . 1 . . . . 188 GLN HA . 6823 1 2310 . 2 2 7 7 GLN HB2 H 1 1.970 0.02 . 2 . . . . 188 GLN HB2 . 6823 1 2311 . 2 2 7 7 GLN HB3 H 1 1.900 0.02 . 2 . . . . 188 GLN HB3 . 6823 1 2312 . 2 2 7 7 GLN HG2 H 1 2.150 0.02 . 2 . . . . 188 GLN HG2 . 6823 1 2313 . 2 2 7 7 GLN HG3 H 1 2.240 0.02 . 2 . . . . 188 GLN HG3 . 6823 1 2314 . 2 2 7 7 GLN HE21 H 1 6.570 0.02 . 2 . . . . 188 GLN HE21 . 6823 1 2315 . 2 2 7 7 GLN HE22 H 1 6.900 0.02 . 2 . . . . 188 GLN HE22 . 6823 1 2316 . 2 2 8 8 CA1 H1 H 1 1.320 0.02 . 1 . . . . 189 ETH H1 . 6823 1 2317 . 2 2 8 8 CA1 H2 H 1 3.950 0.02 . 2 . . . . 189 ETH H2 . 6823 1 2318 . 2 2 8 8 CA1 H3 H 1 4.220 0.02 . 2 . . . . 189 ETH H3 . 6823 1 2319 . 2 2 8 8 CA1 H4 H 1 3.620 0.02 . 2 . . . . 189 ETH H4 . 6823 1 2320 . 2 2 8 8 CA1 H5 H 1 4.920 0.02 . 2 . . . . 189 ETH H5 . 6823 1 2321 . 2 2 8 8 CA1 H6 H 1 1.220 0.02 . 2 . . . . 189 ETH H6 . 6823 1 stop_ save_