data_11570 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11570 _Entry.Title ; Solution Structure of the Bacillus anthracis Sortase A-substrate Complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-06-21 _Entry.Accession_date 2014-06-23 _Entry.Last_release_date 2015-09-10 _Entry.Original_release_date 2015-09-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Albert Chan . H. . 11570 2 'Sung Wook' Yi . . . 11570 3 Michael Jung . E. . 11570 4 Robert Clubb . T. . 11570 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 11570 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Bacillus anthracis' . 11570 Complex . 11570 Sortase . 11570 SrtA . 11570 Transpeptidase . 11570 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11570 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 642 11570 '15N chemical shifts' 152 11570 '1H chemical shifts' 1004 11570 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-09-10 . original BMRB . 11570 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RUI 'BMRB Entry Tracking System' 11570 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11570 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structure of the Bacillus anthracis Sortase-Substrate Complex Reveals Important Roles of the N-terminus Tail in Transpeptidation Reaction ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Albert Chan . H. . 11570 1 2 'Sung Wook' Yi . . . 11570 1 3 Michael Jung . E. . 11570 1 4 Robert Clubb . T. . 11570 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11570 _Assembly.ID 1 _Assembly.Name SrtA_AX_bocLPAT _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $BaSrtA A . yes native no no . . . 11570 1 2 entity_2 2 $Boc-LPAT B . yes native no no . . . 11570 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 entity_1 1 CYS 135 135 SG . 2 entity_2 2 B27 5 5 CYS 1 entity_1 187 B27 SG 2 entity_2 705 B27 SG 11570 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 135 135 HG . 187 . . 11570 1 2 . 2 2 B27 5 5 HSG . 705 . . 11570 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BaSrtA _Entity.Sf_category entity _Entity.Sf_framecode BaSrtA _Entity.Entry_ID 11570 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BaSrtA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMDASKIDQPDLAEVANA SLDKKQVIGRISIPSVSLEL PVLKSSTEKNLLSGAATVKE NQVMGKGNYALAGHNMSKKG VLFSDIASLKKGDKIYLYDN ENEYEYAVTGVSEVTPDKWE VVEDHGKDEITLITCVSVKD NSKRYVVAGDLVGTKAKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'First four residues represent a non-native tag left over from cleaving off the 6xHis tag using Thrombin' _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 158 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17110.521 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16811 . SrtA . . . . . 100.00 158 100.00 100.00 4.29e-108 . . . . 11570 1 2 no BMRB 26510 . Ba-SrtA . . . . . 98.73 210 98.72 99.36 4.87e-104 . . . . 11570 1 3 no PDB 2KW8 . "Solution Structure Of Bacillus Anthracis Sortase A (Srta) Transpeptidase" . . . . . 100.00 158 100.00 100.00 4.29e-108 . . . . 11570 1 4 no PDB 2RUI . "Solution Structure Of The Bacillus Anthracis Sortase A-substrate Complex" . . . . . 100.00 158 100.00 100.00 4.29e-108 . . . . 11570 1 5 no DBJ BAL16456 . "LPXTG-site transpeptidase family protein [Bacillus cereus NC7401]" . . . . . 98.73 210 98.08 99.36 2.15e-103 . . . . 11570 1 6 no DBJ BAR78533 . "putative cysteine protease ywpE [Bacillus anthracis]" . . . . . 98.73 233 98.72 99.36 7.55e-104 . . . . 11570 1 7 no DBJ GAE96182 . "sortase A, LPXTG specific [Bacillus anthracis CZC5]" . . . . . 98.73 210 98.72 99.36 4.87e-104 . . . . 11570 1 8 no DBJ GAO57723 . "LPXTG-site transpeptidase [Bacillus anthracis]" . . . . . 98.73 210 98.72 99.36 4.87e-104 . . . . 11570 1 9 no DBJ GAO63420 . "LPXTG-site transpeptidase [Bacillus anthracis]" . . . . . 98.73 210 98.72 99.36 4.87e-104 . . . . 11570 1 10 no EMBL CJA38300 . "sortase [Streptococcus pneumoniae]" . . . . . 98.10 191 97.42 100.00 1.75e-102 . . . . 11570 1 11 no EMBL CJJ39486 . "sortase [Streptococcus pneumoniae]" . . . . . 60.13 95 100.00 100.00 1.59e-60 . . . . 11570 1 12 no EMBL CKE38654 . "sortase [Streptococcus pneumoniae]" . . . . . 98.73 210 98.08 99.36 2.15e-103 . . . . 11570 1 13 no EMBL CKE81514 . "sortase [Streptococcus pneumoniae]" . . . . . 98.73 210 98.08 99.36 2.15e-103 . . . . 11570 1 14 no EMBL CKE96545 . "sortase [Streptococcus pneumoniae]" . . . . . 98.73 210 98.08 99.36 2.15e-103 . . . . 11570 1 15 no GB AAP24701 . "LPXTG-site transpeptidase family protein [Bacillus anthracis str. Ames]" . . . . . 98.73 233 98.72 99.36 7.55e-104 . . . . 11570 1 16 no GB AAS39688 . "LPXTG-site transpeptidase family protein [Bacillus cereus ATCC 10987]" . . . . . 98.73 210 98.08 99.36 2.15e-103 . . . . 11570 1 17 no GB AAT29792 . "LPXTG-site transpeptidase family protein [Bacillus anthracis str. 'Ames Ancestor']" . . . . . 98.73 233 98.72 99.36 7.55e-104 . . . . 11570 1 18 no GB AAT52982 . "LPXTG-site transpeptidase family protein [Bacillus anthracis str. Sterne]" . . . . . 98.73 210 98.72 99.36 4.87e-104 . . . . 11570 1 19 no GB AAU19641 . "probable sortase family protein [Bacillus cereus E33L]" . . . . . 98.73 210 97.44 99.36 6.47e-103 . . . . 11570 1 20 no REF NP_843215 . "LPXTG family transpeptidase [Bacillus anthracis str. Ames]" . . . . . 98.73 233 98.72 99.36 7.55e-104 . . . . 11570 1 21 no REF WP_001041406 . "sortase [Bacillus cereus]" . . . . . 98.73 210 97.44 99.36 5.68e-103 . . . . 11570 1 22 no REF WP_001041710 . "sortase [Bacillus cereus]" . . . . . 98.73 210 97.44 99.36 4.93e-103 . . . . 11570 1 23 no REF WP_001041711 . "sortase [Bacillus cereus]" . . . . . 98.73 210 97.44 98.72 8.98e-103 . . . . 11570 1 24 no REF WP_001041715 . "MULTISPECIES: sortase [Bacillus cereus group]" . . . . . 98.73 210 97.44 99.36 5.15e-103 . . . . 11570 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 . 11570 1 2 . SER . 11570 1 3 . HIS . 11570 1 4 56 MET . 11570 1 5 57 ASP . 11570 1 6 58 ALA . 11570 1 7 59 SER . 11570 1 8 60 LYS . 11570 1 9 61 ILE . 11570 1 10 62 ASP . 11570 1 11 63 GLN . 11570 1 12 64 PRO . 11570 1 13 65 ASP . 11570 1 14 66 LEU . 11570 1 15 67 ALA . 11570 1 16 68 GLU . 11570 1 17 69 VAL . 11570 1 18 70 ALA . 11570 1 19 71 ASN . 11570 1 20 72 ALA . 11570 1 21 73 SER . 11570 1 22 74 LEU . 11570 1 23 75 ASP . 11570 1 24 76 LYS . 11570 1 25 77 LYS . 11570 1 26 78 GLN . 11570 1 27 79 VAL . 11570 1 28 80 ILE . 11570 1 29 81 GLY . 11570 1 30 82 ARG . 11570 1 31 83 ILE . 11570 1 32 84 SER . 11570 1 33 85 ILE . 11570 1 34 86 PRO . 11570 1 35 87 SER . 11570 1 36 88 VAL . 11570 1 37 89 SER . 11570 1 38 90 LEU . 11570 1 39 91 GLU . 11570 1 40 92 LEU . 11570 1 41 93 PRO . 11570 1 42 94 VAL . 11570 1 43 95 LEU . 11570 1 44 96 LYS . 11570 1 45 97 SER . 11570 1 46 98 SER . 11570 1 47 99 THR . 11570 1 48 100 GLU . 11570 1 49 101 LYS . 11570 1 50 102 ASN . 11570 1 51 103 LEU . 11570 1 52 104 LEU . 11570 1 53 105 SER . 11570 1 54 106 GLY . 11570 1 55 107 ALA . 11570 1 56 108 ALA . 11570 1 57 109 THR . 11570 1 58 110 VAL . 11570 1 59 111 LYS . 11570 1 60 112 GLU . 11570 1 61 113 ASN . 11570 1 62 114 GLN . 11570 1 63 115 VAL . 11570 1 64 116 MET . 11570 1 65 117 GLY . 11570 1 66 118 LYS . 11570 1 67 119 GLY . 11570 1 68 120 ASN . 11570 1 69 121 TYR . 11570 1 70 122 ALA . 11570 1 71 123 LEU . 11570 1 72 124 ALA . 11570 1 73 125 GLY . 11570 1 74 126 HIS . 11570 1 75 127 ASN . 11570 1 76 128 MET . 11570 1 77 129 SER . 11570 1 78 130 LYS . 11570 1 79 131 LYS . 11570 1 80 132 GLY . 11570 1 81 133 VAL . 11570 1 82 134 LEU . 11570 1 83 135 PHE . 11570 1 84 136 SER . 11570 1 85 137 ASP . 11570 1 86 138 ILE . 11570 1 87 139 ALA . 11570 1 88 140 SER . 11570 1 89 141 LEU . 11570 1 90 142 LYS . 11570 1 91 143 LYS . 11570 1 92 144 GLY . 11570 1 93 145 ASP . 11570 1 94 146 LYS . 11570 1 95 147 ILE . 11570 1 96 148 TYR . 11570 1 97 149 LEU . 11570 1 98 150 TYR . 11570 1 99 151 ASP . 11570 1 100 152 ASN . 11570 1 101 153 GLU . 11570 1 102 154 ASN . 11570 1 103 155 GLU . 11570 1 104 156 TYR . 11570 1 105 157 GLU . 11570 1 106 158 TYR . 11570 1 107 159 ALA . 11570 1 108 160 VAL . 11570 1 109 161 THR . 11570 1 110 162 GLY . 11570 1 111 163 VAL . 11570 1 112 164 SER . 11570 1 113 165 GLU . 11570 1 114 166 VAL . 11570 1 115 167 THR . 11570 1 116 168 PRO . 11570 1 117 169 ASP . 11570 1 118 170 LYS . 11570 1 119 171 TRP . 11570 1 120 172 GLU . 11570 1 121 173 VAL . 11570 1 122 174 VAL . 11570 1 123 175 GLU . 11570 1 124 176 ASP . 11570 1 125 177 HIS . 11570 1 126 178 GLY . 11570 1 127 179 LYS . 11570 1 128 180 ASP . 11570 1 129 181 GLU . 11570 1 130 182 ILE . 11570 1 131 183 THR . 11570 1 132 184 LEU . 11570 1 133 185 ILE . 11570 1 134 186 THR . 11570 1 135 187 CYS . 11570 1 136 188 VAL . 11570 1 137 189 SER . 11570 1 138 190 VAL . 11570 1 139 191 LYS . 11570 1 140 192 ASP . 11570 1 141 193 ASN . 11570 1 142 194 SER . 11570 1 143 195 LYS . 11570 1 144 196 ARG . 11570 1 145 197 TYR . 11570 1 146 198 VAL . 11570 1 147 199 VAL . 11570 1 148 200 ALA . 11570 1 149 201 GLY . 11570 1 150 202 ASP . 11570 1 151 203 LEU . 11570 1 152 204 VAL . 11570 1 153 205 GLY . 11570 1 154 206 THR . 11570 1 155 207 LYS . 11570 1 156 208 ALA . 11570 1 157 209 LYS . 11570 1 158 210 LYS . 11570 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 11570 1 . SER 2 2 11570 1 . HIS 3 3 11570 1 . MET 4 4 11570 1 . ASP 5 5 11570 1 . ALA 6 6 11570 1 . SER 7 7 11570 1 . LYS 8 8 11570 1 . ILE 9 9 11570 1 . ASP 10 10 11570 1 . GLN 11 11 11570 1 . PRO 12 12 11570 1 . ASP 13 13 11570 1 . LEU 14 14 11570 1 . ALA 15 15 11570 1 . GLU 16 16 11570 1 . VAL 17 17 11570 1 . ALA 18 18 11570 1 . ASN 19 19 11570 1 . ALA 20 20 11570 1 . SER 21 21 11570 1 . LEU 22 22 11570 1 . ASP 23 23 11570 1 . LYS 24 24 11570 1 . LYS 25 25 11570 1 . GLN 26 26 11570 1 . VAL 27 27 11570 1 . ILE 28 28 11570 1 . GLY 29 29 11570 1 . ARG 30 30 11570 1 . ILE 31 31 11570 1 . SER 32 32 11570 1 . ILE 33 33 11570 1 . PRO 34 34 11570 1 . SER 35 35 11570 1 . VAL 36 36 11570 1 . SER 37 37 11570 1 . LEU 38 38 11570 1 . GLU 39 39 11570 1 . LEU 40 40 11570 1 . PRO 41 41 11570 1 . VAL 42 42 11570 1 . LEU 43 43 11570 1 . LYS 44 44 11570 1 . SER 45 45 11570 1 . SER 46 46 11570 1 . THR 47 47 11570 1 . GLU 48 48 11570 1 . LYS 49 49 11570 1 . ASN 50 50 11570 1 . LEU 51 51 11570 1 . LEU 52 52 11570 1 . SER 53 53 11570 1 . GLY 54 54 11570 1 . ALA 55 55 11570 1 . ALA 56 56 11570 1 . THR 57 57 11570 1 . VAL 58 58 11570 1 . LYS 59 59 11570 1 . GLU 60 60 11570 1 . ASN 61 61 11570 1 . GLN 62 62 11570 1 . VAL 63 63 11570 1 . MET 64 64 11570 1 . GLY 65 65 11570 1 . LYS 66 66 11570 1 . GLY 67 67 11570 1 . ASN 68 68 11570 1 . TYR 69 69 11570 1 . ALA 70 70 11570 1 . LEU 71 71 11570 1 . ALA 72 72 11570 1 . GLY 73 73 11570 1 . HIS 74 74 11570 1 . ASN 75 75 11570 1 . MET 76 76 11570 1 . SER 77 77 11570 1 . LYS 78 78 11570 1 . LYS 79 79 11570 1 . GLY 80 80 11570 1 . VAL 81 81 11570 1 . LEU 82 82 11570 1 . PHE 83 83 11570 1 . SER 84 84 11570 1 . ASP 85 85 11570 1 . ILE 86 86 11570 1 . ALA 87 87 11570 1 . SER 88 88 11570 1 . LEU 89 89 11570 1 . LYS 90 90 11570 1 . LYS 91 91 11570 1 . GLY 92 92 11570 1 . ASP 93 93 11570 1 . LYS 94 94 11570 1 . ILE 95 95 11570 1 . TYR 96 96 11570 1 . LEU 97 97 11570 1 . TYR 98 98 11570 1 . ASP 99 99 11570 1 . ASN 100 100 11570 1 . GLU 101 101 11570 1 . ASN 102 102 11570 1 . GLU 103 103 11570 1 . TYR 104 104 11570 1 . GLU 105 105 11570 1 . TYR 106 106 11570 1 . ALA 107 107 11570 1 . VAL 108 108 11570 1 . THR 109 109 11570 1 . GLY 110 110 11570 1 . VAL 111 111 11570 1 . SER 112 112 11570 1 . GLU 113 113 11570 1 . VAL 114 114 11570 1 . THR 115 115 11570 1 . PRO 116 116 11570 1 . ASP 117 117 11570 1 . LYS 118 118 11570 1 . TRP 119 119 11570 1 . GLU 120 120 11570 1 . VAL 121 121 11570 1 . VAL 122 122 11570 1 . GLU 123 123 11570 1 . ASP 124 124 11570 1 . HIS 125 125 11570 1 . GLY 126 126 11570 1 . LYS 127 127 11570 1 . ASP 128 128 11570 1 . GLU 129 129 11570 1 . ILE 130 130 11570 1 . THR 131 131 11570 1 . LEU 132 132 11570 1 . ILE 133 133 11570 1 . THR 134 134 11570 1 . CYS 135 135 11570 1 . VAL 136 136 11570 1 . SER 137 137 11570 1 . VAL 138 138 11570 1 . LYS 139 139 11570 1 . ASP 140 140 11570 1 . ASN 141 141 11570 1 . SER 142 142 11570 1 . LYS 143 143 11570 1 . ARG 144 144 11570 1 . TYR 145 145 11570 1 . VAL 146 146 11570 1 . VAL 147 147 11570 1 . ALA 148 148 11570 1 . GLY 149 149 11570 1 . ASP 150 150 11570 1 . LEU 151 151 11570 1 . VAL 152 152 11570 1 . GLY 153 153 11570 1 . THR 154 154 11570 1 . LYS 155 155 11570 1 . ALA 156 156 11570 1 . LYS 157 157 11570 1 . LYS 158 158 11570 1 stop_ save_ save_Boc-LPAT _Entity.Sf_category entity _Entity.Sf_framecode Boc-LPAT _Entity.Entry_ID 11570 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Boc-LPAT* _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; XLPAX ; _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 5 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 402.551 _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 . BOC . 11570 2 2 702 LEU . 11570 2 3 703 PRO . 11570 2 4 704 ALA . 11570 2 5 705 B27 . 11570 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 . BOC 1 1 11570 2 . LEU 2 2 11570 2 . PRO 3 3 11570 2 . ALA 4 4 11570 2 . B27 5 5 11570 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 11570 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $BaSrtA . 1392 organism . 'Bacillus anthracis' 'Bacillus anthracis' . . Bacteria . Bacillus anthracis Sterne . . . . . . . . . . srtA . 11570 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 11570 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $BaSrtA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET15b . . . 11570 1 2 2 $Boc-LPAT . 'chemical synthesis' . . . . . . . . . . . . . . . . 11570 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_B27 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_B27 _Chem_comp.Entry_ID 11570 _Chem_comp.ID B27 _Chem_comp.Provenance PDB _Chem_comp.Name '(2R,3S) 3-amino-4-mercapto-2-butanol' _Chem_comp.Type 'L-PEPTIDE COOH CARBOXY TERMINUS' _Chem_comp.BMRB_code B27 _Chem_comp.PDB_code B27 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code B27 _Chem_comp.Number_atoms_all 18 _Chem_comp.Number_atoms_nh 7 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C4H11NOS/c1-3(6)4(5)2-7/h3-4,6-7H,2,5H2,1H3/t3-,4-/m1/s1 _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 THR _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 (2R,3S)-3-amino-4-sulfanylbutan-2-ol _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C4 H11 N O S' _Chem_comp.Formula_weight 121.201 _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 Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2KID _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(C(CS)N)O SMILES 'OpenEye OEToolkits' 1.5.0 11570 B27 C[C@@H](O)[C@H](N)CS SMILES_CANONICAL CACTVS 3.341 11570 B27 C[C@H]([C@@H](CS)N)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11570 B27 C[CH](O)[CH](N)CS SMILES CACTVS 3.341 11570 B27 InChI=1S/C4H11NOS/c1-3(6)4(5)2-7/h3-4,6-7H,2,5H2,1H3/t3-,4-/m1/s1 InChI InChI 1.03 11570 B27 LXDJRZZMWYIUAR-QWWZWVQMSA-N InChIKey InChI 1.03 11570 B27 OC(C)C(N)CS SMILES ACDLabs 10.04 11570 B27 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 (2R,3S)-3-amino-4-sulfanyl-butan-2-ol 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11570 B27 (2R,3S)-3-amino-4-sulfanylbutan-2-ol 'SYSTEMATIC NAME' ACDLabs 10.04 11570 B27 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 N N N N . N . . N 0 . . . 1 no no . . . . -9.331 . 1.651 . 5.217 . 0.211 1.202 0.857 1 . 11570 B27 CA CA CA CA . C . . S 0 . . . 1 no no . . . . -10.181 . 0.746 . 6.036 . 0.181 0.331 -0.325 2 . 11570 B27 CB CB CB CB . C . . R 0 . . . 1 no no . . . . -11.366 . 1.535 . 6.599 . 1.540 -0.352 -0.490 3 . 11570 B27 CG2 CG2 CG2 CG2 . C . . N 0 . . . 1 no no . . . . -11.808 . 2.590 . 5.583 . 2.641 0.708 -0.542 4 . 11570 B27 OG1 OG1 OG1 OG1 . O . . N 0 . . . 1 no no . . . . -12.443 . 0.649 . 6.862 . 1.771 -1.226 0.617 5 . 11570 B27 SG SG SG SG . S . . N 0 . . . 1 no no . . . . -9.655 . -0.529 . 3.679 . -2.533 0.070 -0.101 6 . 11570 B27 CX CX CX CX . C . . N 0 . . . 1 no no . . . . -10.688 . -0.403 . 5.161 . -0.906 -0.731 -0.149 7 . 11570 B27 HN HN HN HN . H . . N 0 . . . 1 no no . . . . -9.140 . 2.487 . 5.732 . 0.410 0.672 1.692 8 . 11570 B27 HA HA HA HA . H . . N 0 . . . 1 no no . . . . -9.592 . 0.334 . 6.869 . -0.035 0.928 -1.211 9 . 11570 B27 HB HB HB HB . H . . N 0 . . . 1 no no . . . . -11.064 . 2.032 . 7.533 . 1.547 -0.929 -1.415 10 . 11570 B27 HOG1 HOG1 HOG1 HOG1 . H . . N 0 . . . 0 no no . . . . -12.471 . 0.451 . 7.791 . 1.779 -0.780 1.475 11 . 11570 B27 HG2 HG2 HG2 HG2 . H . . N 0 . . . 1 no no . . . . -12.774 . 2.296 . 5.146 . 3.609 0.221 -0.660 12 . 11570 B27 HG2A HG2A HG2A HG2A . H . . N 0 . . . 0 no no . . . . -11.914 . 3.562 . 6.086 . 2.465 1.374 -1.387 13 . 11570 B27 HG2B HG2B HG2B HG2B . H . . N 0 . . . 0 no no . . . . -11.054 . 2.670 . 4.786 . 2.635 1.285 0.383 14 . 11570 B27 HX HX HX HX . H . . N 0 . . . 1 no no . . . . -10.637 . -1.345 . 5.726 . -0.869 -1.431 -0.984 15 . 11570 B27 HXA HXA HXA HXA . H . . N 0 . . . 1 no no . . . . -11.730 . -0.210 . 4.868 . -0.739 -1.270 0.784 16 . 11570 B27 HNA HNA HNA HNA . H . . N 0 . . . 1 no no . . . . -8.471 . 1.191 . 4.997 . 0.877 1.951 0.737 17 . 11570 B27 HSG HSG HSG HSG . H . . N 0 . . . 1 no no . . . . -10.413 . -0.559 . 2.623 . -3.376 -0.966 0.055 18 . 11570 B27 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 HN N no N 1 . 11570 B27 2 . SING N CA no N 2 . 11570 B27 3 . SING N HNA no N 3 . 11570 B27 4 . SING CX CA no N 4 . 11570 B27 5 . SING CA CB no N 5 . 11570 B27 6 . SING CA HA no N 6 . 11570 B27 7 . SING CG2 CB no N 7 . 11570 B27 8 . SING CB OG1 no N 8 . 11570 B27 9 . SING CB HB no N 9 . 11570 B27 10 . SING HG2A CG2 no N 10 . 11570 B27 11 . SING CG2 HG2B no N 11 . 11570 B27 12 . SING CG2 HG2 no N 12 . 11570 B27 13 . SING HOG1 OG1 no N 13 . 11570 B27 14 . SING SG CX no N 14 . 11570 B27 15 . SING SG HSG no N 15 . 11570 B27 16 . SING HX CX no N 16 . 11570 B27 17 . SING CX HXA no N 17 . 11570 B27 stop_ save_ save_chem_comp_BOC _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_BOC _Chem_comp.Entry_ID 11570 _Chem_comp.ID BOC _Chem_comp.Provenance PDB _Chem_comp.Name 'TERT-BUTYL HYDROGEN CARBONATE' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code BOC _Chem_comp.PDB_code BOC _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces OTB _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code BOC _Chem_comp.Number_atoms_all 18 _Chem_comp.Number_atoms_nh 8 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C5H10O3/c1-5(2,3)8-4(6)7/h1-3H3,(H,6,7) _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 O3' _Chem_comp.Formula_weight 118.131 _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 yes _Chem_comp.Ideal_coordinates_details 'OpenEye OEToolkits' _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1HPG _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(C)(C)OC(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 11570 BOC CC(C)(C)OC(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11570 BOC CC(C)(C)OC(O)=O SMILES CACTVS 3.341 11570 BOC CC(C)(C)OC(O)=O SMILES_CANONICAL CACTVS 3.341 11570 BOC InChI=1S/C5H10O3/c1-5(2,3)8-4(6)7/h1-3H3,(H,6,7) InChI InChI 1.03 11570 BOC O=C(O)OC(C)(C)C SMILES ACDLabs 10.04 11570 BOC XKXIQBVKMABYQJ-UHFFFAOYSA-N InChIKey InChI 1.03 11570 BOC 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 'tert-butyl hydrogen carbonate' 'SYSTEMATIC NAME' ACDLabs 10.04 11570 BOC 'tert-butyl hydrogen carbonate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11570 BOC 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 O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . 35.130 . 5.244 . -4.399 . -1.956 -1.184 2.528 1 . 11570 BOC C C C C . C . . N 0 . . . 1 no no . . . . 34.199 . 5.065 . -3.588 . -1.138 -1.429 3.370 2 . 11570 BOC O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . 33.395 . 3.927 . -3.859 . -0.108 -0.445 3.333 3 . 11570 BOC CT CT CT CT . C . . N 0 . . . 1 no no . . . . 32.733 . 3.710 . -5.074 . 0.561 -0.399 2.072 4 . 11570 BOC C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . 32.400 . 4.969 . -5.893 . -0.464 -0.065 0.989 5 . 11570 BOC C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 33.637 . 2.959 . -6.064 . 1.627 0.691 2.157 6 . 11570 BOC C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . 31.534 . 2.930 . -4.627 . 1.204 -1.760 1.812 7 . 11570 BOC O3 O3 O3 O3 . O . . N 0 . . . 1 no yes . . . . . . . . . . -1.768 -1.499 4.644 8 . 11570 BOC H11 H11 H11 1H1 . H . . N 0 . . . 1 no no . . . . 31.873 . 4.796 . -6.860 . -0.961 0.889 1.204 9 . 11570 BOC H12 H12 H12 2H1 . H . . N 0 . . . 1 no no . . . . 31.818 . 5.685 . -5.267 . 0.000 0.000 0.000 10 . 11570 BOC H13 H13 H13 3H1 . H . . N 0 . . . 1 no no . . . . 33.327 . 5.563 . -6.067 . -1.255 -0.823 0.952 11 . 11570 BOC H21 H21 H21 1H2 . H . . N 0 . . . 1 no no . . . . 33.110 . 2.786 . -7.031 . 2.338 0.480 2.964 12 . 11570 BOC H22 H22 H22 2H2 . H . . N 0 . . . 1 no no . . . . 34.609 . 3.483 . -6.212 . 1.175 1.662 2.390 13 . 11570 BOC H23 H23 H23 3H2 . H . . N 0 . . . 1 no no . . . . 34.022 . 2.007 . -5.629 . 2.185 0.784 1.219 14 . 11570 BOC H31 H31 H31 1H3 . H . . N 0 . . . 1 no no . . . . 31.007 . 2.757 . -5.594 . 0.446 -2.552 1.787 15 . 11570 BOC H32 H32 H32 2H3 . H . . N 0 . . . 1 no no . . . . 31.757 . 2.010 . -4.036 . 1.749 -1.774 0.863 16 . 11570 BOC H33 H33 H33 3H3 . H . . N 0 . . . 1 no no . . . . 30.921 . 3.414 . -3.831 . 1.899 -2.023 2.617 17 . 11570 BOC H3 H3 H3 H3 . H . . N 0 . . . 1 no yes . . . . . . . . . . -2.724 -1.327 4.509 18 . 11570 BOC 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 O1 C no N 1 . 11570 BOC 2 . SING C O2 no N 2 . 11570 BOC 3 . SING O2 CT no N 3 . 11570 BOC 4 . SING CT C1 no N 4 . 11570 BOC 5 . SING CT C2 no N 5 . 11570 BOC 6 . SING CT C3 no N 6 . 11570 BOC 7 . SING O3 C no N 7 . 11570 BOC 8 . SING C1 H11 no N 8 . 11570 BOC 9 . SING C1 H12 no N 9 . 11570 BOC 10 . SING C1 H13 no N 10 . 11570 BOC 11 . SING C2 H21 no N 11 . 11570 BOC 12 . SING C2 H22 no N 12 . 11570 BOC 13 . SING C2 H23 no N 13 . 11570 BOC 14 . SING C3 H31 no N 14 . 11570 BOC 15 . SING C3 H32 no N 15 . 11570 BOC 16 . SING C3 H33 no N 16 . 11570 BOC 17 . SING O3 H3 no N 17 . 11570 BOC stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11570 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BaSrtA '[U-100% 13C; U-100% 15N]' . . 1 $BaSrtA . protein 2.6 . . mM . . . . 11570 1 2 Boc-LPAT 'natural abundance' . . 2 $Boc-LPAT . . 2.6 . . mM . . . . 11570 1 3 'sodium phosphate' 'natural abundance' . . . . . buffer 50 . . mM . . . . 11570 1 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 11570 1 5 H2O 'natural abundance' . . . . . solvent 93 . . % . . . . 11570 1 6 D2O [U-2H] . . . . . solvent 7 . . % . . . . 11570 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11570 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BaSrtA '[U-100% 13C; U-100% 15N]' . . 1 $BaSrtA . protein 2.6 . . mM . . . . 11570 2 2 Boc-LPAT 'natural abundance' . . 2 $Boc-LPAT . . 2.6 . . mM . . . . 11570 2 3 'sodium phosphate' 'natural abundance' . . . . . buffer 50 . . mM . . . . 11570 2 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 11570 2 5 D2O [U-2H] . . . . . solvent 100 . . % . . . . 11570 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11570 _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' 50 . mM 11570 1 pH 6.0 . pH 11570 1 pressure 1 . atm 11570 1 temperature 298 . K 11570 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 11570 _Software.ID 1 _Software.Name X-PLOR_NIH _Software.Version 2.25 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 11570 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11570 1 'structure solution' 11570 1 stop_ save_ save_ModelFree _Software.Sf_category software _Software.Sf_framecode ModelFree _Software.Entry_ID 11570 _Software.ID 2 _Software.Name ModelFree _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Palmer . . 11570 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11570 2 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 11570 _Software.ID 3 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 11570 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11570 3 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 11570 _Software.ID 4 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11570 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11570 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11570 _Software.ID 5 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11570 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11570 5 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 11570 _Software.ID 6 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 11570 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 11570 6 stop_ save_ save_Procheck _Software.Sf_category software _Software.Sf_framecode Procheck _Software.Entry_ID 11570 _Software.ID 7 _Software.Name Procheck _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton' . . 11570 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11570 7 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11570 _Software.ID 8 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11570 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11570 8 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 11570 _Software.ID 9 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 11570 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 11570 9 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11570 _Software.ID 10 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11570 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11570 10 'data analysis' 11570 10 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 11570 _Software.ID 11 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 11570 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11570 11 'peak picking' 11570 11 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 11570 _Software.ID 12 _Software.Name UNIO _Software.Version 10 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 11570 12 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 11570 12 'structure solution' 11570 12 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11570 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11570 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 11570 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11570 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 Mulder Bruker Avance . 500 . . . 11570 1 2 Bond Bruker Avance . 600 . . . 11570 1 3 Bosch Bruker Avance . 800 . . . 11570 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 11570 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11570 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11570 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11570 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11570 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11570 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11570 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11570 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11570 1 9 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11570 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11570 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11570 1 12 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11570 1 13 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11570 1 14 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11570 1 15 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11570 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11570 _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 0.00 na indirect 0.251449530 . . . . . . . . . 11570 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11570 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11570 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11570 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.006 _Assigned_chem_shift_list.Chem_shift_13C_err 0.250 _Assigned_chem_shift_list.Chem_shift_15N_err 0.250 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11570 1 2 '2D 1H-13C HSQC' 2 $sample_2 isotropic 11570 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11570 1 4 '3D HNCO' 1 $sample_1 isotropic 11570 1 5 '3D C(CO)NH' 1 $sample_1 isotropic 11570 1 6 '3D HNCACB' 1 $sample_1 isotropic 11570 1 7 '3D HBHA(CO)NH' 1 $sample_1 isotropic 11570 1 8 '3D HCCH-TOCSY' 2 $sample_2 isotropic 11570 1 9 '3D HNHA' 1 $sample_1 isotropic 11570 1 12 '3D HNHB' 1 $sample_1 isotropic 11570 1 13 '3D HCCH-COSY' 2 $sample_2 isotropic 11570 1 14 '3D HCACO' 1 $sample_1 isotropic 11570 1 15 '3D H(CCO)NH' 1 $sample_1 isotropic 11570 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 4 4 MET HA H 1 4.3590 0.006 . 1 . . . A 56 MET HA . 11570 1 2 . 1 1 4 4 MET HB2 H 1 1.9890 0.006 . 2 . . . A 56 MET HB2 . 11570 1 3 . 1 1 4 4 MET HB3 H 1 1.8730 0.006 . 2 . . . A 56 MET HB3 . 11570 1 4 . 1 1 4 4 MET C C 13 175.5400 0.250 . 1 . . . A 56 MET C . 11570 1 5 . 1 1 4 4 MET CA C 13 55.4780 0.250 . 1 . . . A 56 MET CA . 11570 1 6 . 1 1 4 4 MET CB C 13 32.8660 0.250 . 1 . . . A 56 MET CB . 11570 1 7 . 1 1 5 5 ASP H H 1 8.2870 0.006 . 1 . . . A 57 ASP H . 11570 1 8 . 1 1 5 5 ASP HA H 1 4.5060 0.006 . 1 . . . A 57 ASP HA . 11570 1 9 . 1 1 5 5 ASP HB2 H 1 2.6660 0.006 . 2 . . . A 57 ASP HB2 . 11570 1 10 . 1 1 5 5 ASP HB3 H 1 2.5630 0.006 . 2 . . . A 57 ASP HB3 . 11570 1 11 . 1 1 5 5 ASP C C 13 176.0010 0.250 . 1 . . . A 57 ASP C . 11570 1 12 . 1 1 5 5 ASP CA C 13 54.0890 0.250 . 1 . . . A 57 ASP CA . 11570 1 13 . 1 1 5 5 ASP CB C 13 41.1240 0.250 . 1 . . . A 57 ASP CB . 11570 1 14 . 1 1 5 5 ASP N N 15 122.0850 0.250 . 1 . . . A 57 ASP N . 11570 1 15 . 1 1 6 6 ALA H H 1 8.3230 0.006 . 1 . . . A 58 ALA H . 11570 1 16 . 1 1 6 6 ALA HA H 1 4.2110 0.006 . 1 . . . A 58 ALA HA . 11570 1 17 . 1 1 6 6 ALA HB1 H 1 1.3290 0.006 . 1 . . . A 58 ALA HB1 . 11570 1 18 . 1 1 6 6 ALA HB2 H 1 1.3290 0.006 . 1 . . . A 58 ALA HB2 . 11570 1 19 . 1 1 6 6 ALA HB3 H 1 1.3290 0.006 . 1 . . . A 58 ALA HB3 . 11570 1 20 . 1 1 6 6 ALA C C 13 177.7540 0.250 . 1 . . . A 58 ALA C . 11570 1 21 . 1 1 6 6 ALA CA C 13 52.8540 0.250 . 1 . . . A 58 ALA CA . 11570 1 22 . 1 1 6 6 ALA CB C 13 18.8980 0.250 . 1 . . . A 58 ALA CB . 11570 1 23 . 1 1 6 6 ALA N N 15 125.3370 0.250 . 1 . . . A 58 ALA N . 11570 1 24 . 1 1 7 7 SER H H 1 8.2940 0.006 . 1 . . . A 59 SER H . 11570 1 25 . 1 1 7 7 SER HA H 1 4.3130 0.006 . 1 . . . A 59 SER HA . 11570 1 26 . 1 1 7 7 SER HB2 H 1 3.8330 0.006 . 2 . . . A 59 SER HB2 . 11570 1 27 . 1 1 7 7 SER HB3 H 1 3.8110 0.006 . 2 . . . A 59 SER HB3 . 11570 1 28 . 1 1 7 7 SER C C 13 174.4320 0.250 . 1 . . . A 59 SER C . 11570 1 29 . 1 1 7 7 SER CA C 13 58.7960 0.250 . 1 . . . A 59 SER CA . 11570 1 30 . 1 1 7 7 SER CB C 13 63.7000 0.250 . 1 . . . A 59 SER CB . 11570 1 31 . 1 1 7 7 SER N N 15 114.8350 0.250 . 1 . . . A 59 SER N . 11570 1 32 . 1 1 8 8 LYS H H 1 8.0460 0.006 . 1 . . . A 60 LYS H . 11570 1 33 . 1 1 8 8 LYS HA H 1 4.3150 0.006 . 1 . . . A 60 LYS HA . 11570 1 34 . 1 1 8 8 LYS HB2 H 1 1.8150 0.006 . 2 . . . A 60 LYS HB2 . 11570 1 35 . 1 1 8 8 LYS HB3 H 1 1.6760 0.006 . 2 . . . A 60 LYS HB3 . 11570 1 36 . 1 1 8 8 LYS HG2 H 1 1.3650 0.006 . 2 . . . A 60 LYS HG2 . 11570 1 37 . 1 1 8 8 LYS HG3 H 1 1.3110 0.006 . 2 . . . A 60 LYS HG3 . 11570 1 38 . 1 1 8 8 LYS HD2 H 1 1.6060 0.006 . 2 . . . A 60 LYS HD2 . 11570 1 39 . 1 1 8 8 LYS HE2 H 1 2.9050 0.006 . 1 . . . A 60 LYS HE2 . 11570 1 40 . 1 1 8 8 LYS C C 13 176.0010 0.250 . 1 . . . A 60 LYS C . 11570 1 41 . 1 1 8 8 LYS CA C 13 55.8640 0.250 . 1 . . . A 60 LYS CA . 11570 1 42 . 1 1 8 8 LYS CB C 13 32.7250 0.250 . 1 . . . A 60 LYS CB . 11570 1 43 . 1 1 8 8 LYS CG C 13 24.5650 0.250 . 1 . . . A 60 LYS CG . 11570 1 44 . 1 1 8 8 LYS CD C 13 28.9210 0.250 . 1 . . . A 60 LYS CD . 11570 1 45 . 1 1 8 8 LYS CE C 13 41.8440 0.250 . 1 . . . A 60 LYS CE . 11570 1 46 . 1 1 8 8 LYS N N 15 122.9680 0.250 . 1 . . . A 60 LYS N . 11570 1 47 . 1 1 9 9 ILE H H 1 7.9540 0.006 . 1 . . . A 61 ILE H . 11570 1 48 . 1 1 9 9 ILE HA H 1 4.1050 0.006 . 1 . . . A 61 ILE HA . 11570 1 49 . 1 1 9 9 ILE HB H 1 1.7870 0.006 . 1 . . . A 61 ILE HB . 11570 1 50 . 1 1 9 9 ILE HG12 H 1 1.3920 0.006 . 1 . . . A 61 ILE HG12 . 11570 1 51 . 1 1 9 9 ILE HG13 H 1 1.0890 0.006 . 1 . . . A 61 ILE HG13 . 11570 1 52 . 1 1 9 9 ILE HG21 H 1 0.8360 0.006 . 1 . . . A 61 ILE HG21 . 11570 1 53 . 1 1 9 9 ILE HG22 H 1 0.8360 0.006 . 1 . . . A 61 ILE HG22 . 11570 1 54 . 1 1 9 9 ILE HG23 H 1 0.8360 0.006 . 1 . . . A 61 ILE HG23 . 11570 1 55 . 1 1 9 9 ILE HD11 H 1 0.7600 0.006 . 1 . . . A 61 ILE HD11 . 11570 1 56 . 1 1 9 9 ILE HD12 H 1 0.7600 0.006 . 1 . . . A 61 ILE HD12 . 11570 1 57 . 1 1 9 9 ILE HD13 H 1 0.7600 0.006 . 1 . . . A 61 ILE HD13 . 11570 1 58 . 1 1 9 9 ILE C C 13 175.6080 0.250 . 1 . . . A 61 ILE C . 11570 1 59 . 1 1 9 9 ILE CA C 13 60.9690 0.250 . 1 . . . A 61 ILE CA . 11570 1 60 . 1 1 9 9 ILE CB C 13 38.9400 0.250 . 1 . . . A 61 ILE CB . 11570 1 61 . 1 1 9 9 ILE CG1 C 13 27.1700 0.250 . 1 . . . A 61 ILE CG1 . 11570 1 62 . 1 1 9 9 ILE CG2 C 13 17.4900 0.250 . 1 . . . A 61 ILE CG2 . 11570 1 63 . 1 1 9 9 ILE CD1 C 13 13.0750 0.250 . 1 . . . A 61 ILE CD1 . 11570 1 64 . 1 1 9 9 ILE N N 15 121.7040 0.250 . 1 . . . A 61 ILE N . 11570 1 65 . 1 1 10 10 ASP H H 1 8.3570 0.006 . 1 . . . A 62 ASP H . 11570 1 66 . 1 1 10 10 ASP HA H 1 4.5450 0.006 . 1 . . . A 62 ASP HA . 11570 1 67 . 1 1 10 10 ASP HB2 H 1 2.5980 0.006 . 2 . . . A 62 ASP HB2 . 11570 1 68 . 1 1 10 10 ASP HB3 H 1 2.5010 0.006 . 2 . . . A 62 ASP HB3 . 11570 1 69 . 1 1 10 10 ASP C C 13 175.3940 0.250 . 1 . . . A 62 ASP C . 11570 1 70 . 1 1 10 10 ASP CA C 13 54.0890 0.250 . 1 . . . A 62 ASP CA . 11570 1 71 . 1 1 10 10 ASP CB C 13 41.1240 0.250 . 1 . . . A 62 ASP CB . 11570 1 72 . 1 1 10 10 ASP N N 15 124.5760 0.250 . 1 . . . A 62 ASP N . 11570 1 73 . 1 1 11 11 GLN H H 1 8.1200 0.006 . 1 . . . A 63 GLN H . 11570 1 74 . 1 1 11 11 GLN HA H 1 4.5220 0.006 . 1 . . . A 63 GLN HA . 11570 1 75 . 1 1 11 11 GLN HB2 H 1 2.0000 0.006 . 2 . . . A 63 GLN HB2 . 11570 1 76 . 1 1 11 11 GLN HB3 H 1 1.8920 0.006 . 2 . . . A 63 GLN HB3 . 11570 1 77 . 1 1 11 11 GLN HG2 H 1 2.2960 0.006 . 2 . . . A 63 GLN HG2 . 11570 1 78 . 1 1 11 11 GLN C C 13 173.6700 0.250 . 1 . . . A 63 GLN C . 11570 1 79 . 1 1 11 11 GLN CA C 13 53.3830 0.250 . 1 . . . A 63 GLN CA . 11570 1 80 . 1 1 11 11 GLN CB C 13 29.2820 0.250 . 1 . . . A 63 GLN CB . 11570 1 81 . 1 1 11 11 GLN CG C 13 33.3300 0.250 . 1 . . . A 63 GLN CG . 11570 1 82 . 1 1 11 11 GLN N N 15 121.3370 0.250 . 1 . . . A 63 GLN N . 11570 1 83 . 1 1 12 12 PRO HA H 1 4.3730 0.006 . 1 . . . A 64 PRO HA . 11570 1 84 . 1 1 12 12 PRO HB2 H 1 2.1160 0.006 . 2 . . . A 64 PRO HB2 . 11570 1 85 . 1 1 12 12 PRO HB3 H 1 1.7220 0.006 . 2 . . . A 64 PRO HB3 . 11570 1 86 . 1 1 12 12 PRO HG3 H 1 1.6700 0.006 . 2 . . . A 64 PRO HG3 . 11570 1 87 . 1 1 12 12 PRO HD2 H 1 3.4950 0.006 . 2 . . . A 64 PRO HD2 . 11570 1 88 . 1 1 12 12 PRO HD3 H 1 3.3570 0.006 . 2 . . . A 64 PRO HD3 . 11570 1 89 . 1 1 12 12 PRO C C 13 176.0920 0.250 . 1 . . . A 64 PRO C . 11570 1 90 . 1 1 12 12 PRO CA C 13 62.9060 0.250 . 1 . . . A 64 PRO CA . 11570 1 91 . 1 1 12 12 PRO CB C 13 32.1500 0.250 . 1 . . . A 64 PRO CB . 11570 1 92 . 1 1 12 12 PRO CG C 13 26.8450 0.250 . 1 . . . A 64 PRO CG . 11570 1 93 . 1 1 12 12 PRO CD C 13 50.2420 0.250 . 1 . . . A 64 PRO CD . 11570 1 94 . 1 1 13 13 ASP H H 1 8.3210 0.006 . 1 . . . A 65 ASP H . 11570 1 95 . 1 1 13 13 ASP HA H 1 4.5410 0.006 . 1 . . . A 65 ASP HA . 11570 1 96 . 1 1 13 13 ASP HB2 H 1 2.6530 0.006 . 2 . . . A 65 ASP HB2 . 11570 1 97 . 1 1 13 13 ASP C C 13 176.6690 0.250 . 1 . . . A 65 ASP C . 11570 1 98 . 1 1 13 13 ASP CA C 13 54.0800 0.250 . 1 . . . A 65 ASP CA . 11570 1 99 . 1 1 13 13 ASP CB C 13 41.8300 0.250 . 1 . . . A 65 ASP CB . 11570 1 100 . 1 1 13 13 ASP N N 15 119.7790 0.250 . 1 . . . A 65 ASP N . 11570 1 101 . 1 1 14 14 LEU H H 1 8.2080 0.006 . 1 . . . A 66 LEU H . 11570 1 102 . 1 1 14 14 LEU HA H 1 4.0730 0.006 . 1 . . . A 66 LEU HA . 11570 1 103 . 1 1 14 14 LEU HB2 H 1 1.5580 0.006 . 1 . . . A 66 LEU HB2 . 11570 1 104 . 1 1 14 14 LEU HB3 H 1 1.6270 0.006 . 1 . . . A 66 LEU HB3 . 11570 1 105 . 1 1 14 14 LEU HG H 1 1.6340 0.006 . 1 . . . A 66 LEU HG . 11570 1 106 . 1 1 14 14 LEU HD11 H 1 0.8330 0.006 . 2 . . . A 66 LEU HD11 . 11570 1 107 . 1 1 14 14 LEU HD12 H 1 0.8330 0.006 . 2 . . . A 66 LEU HD12 . 11570 1 108 . 1 1 14 14 LEU HD13 H 1 0.8330 0.006 . 2 . . . A 66 LEU HD13 . 11570 1 109 . 1 1 14 14 LEU HD21 H 1 0.8920 0.006 . 2 . . . A 66 LEU HD21 . 11570 1 110 . 1 1 14 14 LEU HD22 H 1 0.8920 0.006 . 2 . . . A 66 LEU HD22 . 11570 1 111 . 1 1 14 14 LEU HD23 H 1 0.8920 0.006 . 2 . . . A 66 LEU HD23 . 11570 1 112 . 1 1 14 14 LEU C C 13 177.8680 0.250 . 1 . . . A 66 LEU C . 11570 1 113 . 1 1 14 14 LEU CA C 13 56.4690 0.250 . 1 . . . A 66 LEU CA . 11570 1 114 . 1 1 14 14 LEU CB C 13 41.8600 0.250 . 1 . . . A 66 LEU CB . 11570 1 115 . 1 1 14 14 LEU CG C 13 27.0600 0.250 . 1 . . . A 66 LEU CG . 11570 1 116 . 1 1 14 14 LEU CD1 C 13 23.4500 0.250 . 2 . . . A 66 LEU CD1 . 11570 1 117 . 1 1 14 14 LEU CD2 C 13 24.9800 0.250 . 2 . . . A 66 LEU CD2 . 11570 1 118 . 1 1 14 14 LEU N N 15 122.8800 0.250 . 1 . . . A 66 LEU N . 11570 1 119 . 1 1 15 15 ALA H H 1 8.2660 0.006 . 1 . . . A 67 ALA H . 11570 1 120 . 1 1 15 15 ALA HA H 1 4.1770 0.006 . 1 . . . A 67 ALA HA . 11570 1 121 . 1 1 15 15 ALA HB1 H 1 1.3500 0.006 . 1 . . . A 67 ALA HB1 . 11570 1 122 . 1 1 15 15 ALA HB2 H 1 1.3500 0.006 . 1 . . . A 67 ALA HB2 . 11570 1 123 . 1 1 15 15 ALA HB3 H 1 1.3500 0.006 . 1 . . . A 67 ALA HB3 . 11570 1 124 . 1 1 15 15 ALA C C 13 178.7220 0.250 . 1 . . . A 67 ALA C . 11570 1 125 . 1 1 15 15 ALA CA C 13 53.6450 0.250 . 1 . . . A 67 ALA CA . 11570 1 126 . 1 1 15 15 ALA CB C 13 18.4600 0.250 . 1 . . . A 67 ALA CB . 11570 1 127 . 1 1 15 15 ALA N N 15 123.1150 0.250 . 1 . . . A 67 ALA N . 11570 1 128 . 1 1 16 16 GLU H H 1 8.0070 0.006 . 1 . . . A 68 GLU H . 11570 1 129 . 1 1 16 16 GLU HA H 1 4.1190 0.006 . 1 . . . A 68 GLU HA . 11570 1 130 . 1 1 16 16 GLU HB2 H 1 2.0300 0.006 . 2 . . . A 68 GLU HB2 . 11570 1 131 . 1 1 16 16 GLU HG2 H 1 2.2400 0.006 . 2 . . . A 68 GLU HG2 . 11570 1 132 . 1 1 16 16 GLU HG3 H 1 2.2050 0.006 . 2 . . . A 68 GLU HG3 . 11570 1 133 . 1 1 16 16 GLU C C 13 177.8680 0.250 . 1 . . . A 68 GLU C . 11570 1 134 . 1 1 16 16 GLU CA C 13 57.5920 0.250 . 1 . . . A 68 GLU CA . 11570 1 135 . 1 1 16 16 GLU CB C 13 29.9400 0.250 . 1 . . . A 68 GLU CB . 11570 1 136 . 1 1 16 16 GLU CG C 13 36.2700 0.250 . 1 . . . A 68 GLU CG . 11570 1 137 . 1 1 16 16 GLU N N 15 118.7100 0.250 . 1 . . . A 68 GLU N . 11570 1 138 . 1 1 17 17 VAL H H 1 7.7340 0.006 . 1 . . . A 69 VAL H . 11570 1 139 . 1 1 17 17 VAL HA H 1 3.8940 0.006 . 1 . . . A 69 VAL HA . 11570 1 140 . 1 1 17 17 VAL HB H 1 2.1160 0.006 . 1 . . . A 69 VAL HB . 11570 1 141 . 1 1 17 17 VAL HG11 H 1 0.9510 0.006 . 2 . . . A 69 VAL HG11 . 11570 1 142 . 1 1 17 17 VAL HG12 H 1 0.9510 0.006 . 2 . . . A 69 VAL HG12 . 11570 1 143 . 1 1 17 17 VAL HG13 H 1 0.9510 0.006 . 2 . . . A 69 VAL HG13 . 11570 1 144 . 1 1 17 17 VAL C C 13 177.0840 0.250 . 1 . . . A 69 VAL C . 11570 1 145 . 1 1 17 17 VAL CA C 13 64.0630 0.250 . 1 . . . A 69 VAL CA . 11570 1 146 . 1 1 17 17 VAL CB C 13 32.5780 0.250 . 1 . . . A 69 VAL CB . 11570 1 147 . 1 1 17 17 VAL CG1 C 13 21.1670 0.250 . 1 . . . A 69 VAL CG1 . 11570 1 148 . 1 1 17 17 VAL N N 15 119.8440 0.250 . 1 . . . A 69 VAL N . 11570 1 149 . 1 1 18 18 ALA H H 1 8.2420 0.006 . 1 . . . A 70 ALA H . 11570 1 150 . 1 1 18 18 ALA HA H 1 4.2080 0.006 . 1 . . . A 70 ALA HA . 11570 1 151 . 1 1 18 18 ALA HB1 H 1 1.3850 0.006 . 1 . . . A 70 ALA HB1 . 11570 1 152 . 1 1 18 18 ALA HB2 H 1 1.3850 0.006 . 1 . . . A 70 ALA HB2 . 11570 1 153 . 1 1 18 18 ALA HB3 H 1 1.3850 0.006 . 1 . . . A 70 ALA HB3 . 11570 1 154 . 1 1 18 18 ALA C C 13 178.2140 0.250 . 1 . . . A 70 ALA C . 11570 1 155 . 1 1 18 18 ALA CA C 13 53.2000 0.250 . 1 . . . A 70 ALA CA . 11570 1 156 . 1 1 18 18 ALA CB C 13 19.1200 0.250 . 1 . . . A 70 ALA CB . 11570 1 157 . 1 1 18 18 ALA N N 15 124.7460 0.250 . 1 . . . A 70 ALA N . 11570 1 158 . 1 1 19 19 ASN H H 1 7.9690 0.006 . 1 . . . A 71 ASN H . 11570 1 159 . 1 1 19 19 ASN HA H 1 4.6530 0.006 . 1 . . . A 71 ASN HA . 11570 1 160 . 1 1 19 19 ASN HB2 H 1 2.7000 0.006 . 2 . . . A 71 ASN HB2 . 11570 1 161 . 1 1 19 19 ASN HB3 H 1 2.8370 0.006 . 2 . . . A 71 ASN HB3 . 11570 1 162 . 1 1 19 19 ASN HD21 H 1 7.6240 0.006 . 1 . . . A 71 ASN HD21 . 11570 1 163 . 1 1 19 19 ASN HD22 H 1 6.9010 0.006 . 1 . . . A 71 ASN HD22 . 11570 1 164 . 1 1 19 19 ASN C C 13 174.9850 0.250 . 1 . . . A 71 ASN C . 11570 1 165 . 1 1 19 19 ASN CA C 13 53.0890 0.250 . 1 . . . A 71 ASN CA . 11570 1 166 . 1 1 19 19 ASN CB C 13 38.9400 0.250 . 1 . . . A 71 ASN CB . 11570 1 167 . 1 1 19 19 ASN CG C 13 176.8960 0.250 . 1 . . . A 71 ASN CG . 11570 1 168 . 1 1 19 19 ASN N N 15 115.7420 0.250 . 1 . . . A 71 ASN N . 11570 1 169 . 1 1 19 19 ASN ND2 N 15 112.9090 0.250 . 1 . . . A 71 ASN ND2 . 11570 1 170 . 1 1 20 20 ALA H H 1 7.7770 0.006 . 1 . . . A 72 ALA H . 11570 1 171 . 1 1 20 20 ALA HA H 1 4.2350 0.006 . 1 . . . A 72 ALA HA . 11570 1 172 . 1 1 20 20 ALA HB1 H 1 1.3830 0.006 . 1 . . . A 72 ALA HB1 . 11570 1 173 . 1 1 20 20 ALA HB2 H 1 1.3830 0.006 . 1 . . . A 72 ALA HB2 . 11570 1 174 . 1 1 20 20 ALA HB3 H 1 1.3830 0.006 . 1 . . . A 72 ALA HB3 . 11570 1 175 . 1 1 20 20 ALA C C 13 177.5680 0.250 . 1 . . . A 72 ALA C . 11570 1 176 . 1 1 20 20 ALA CA C 13 52.8500 0.250 . 1 . . . A 72 ALA CA . 11570 1 177 . 1 1 20 20 ALA CB C 13 19.2000 0.250 . 1 . . . A 72 ALA CB . 11570 1 178 . 1 1 20 20 ALA N N 15 124.0430 0.250 . 1 . . . A 72 ALA N . 11570 1 179 . 1 1 21 21 SER H H 1 8.2250 0.006 . 1 . . . A 73 SER H . 11570 1 180 . 1 1 21 21 SER HA H 1 4.4490 0.006 . 1 . . . A 73 SER HA . 11570 1 181 . 1 1 21 21 SER HB2 H 1 3.7850 0.006 . 2 . . . A 73 SER HB2 . 11570 1 182 . 1 1 21 21 SER C C 13 173.9000 0.250 . 1 . . . A 73 SER C . 11570 1 183 . 1 1 21 21 SER CA C 13 57.7120 0.250 . 1 . . . A 73 SER CA . 11570 1 184 . 1 1 21 21 SER CB C 13 63.8000 0.250 . 1 . . . A 73 SER CB . 11570 1 185 . 1 1 21 21 SER N N 15 115.2150 0.250 . 1 . . . A 73 SER N . 11570 1 186 . 1 1 22 22 LEU H H 1 8.0810 0.006 . 1 . . . A 74 LEU H . 11570 1 187 . 1 1 22 22 LEU HA H 1 4.1560 0.006 . 1 . . . A 74 LEU HA . 11570 1 188 . 1 1 22 22 LEU HB2 H 1 1.6220 0.006 . 1 . . . A 74 LEU HB2 . 11570 1 189 . 1 1 22 22 LEU HB3 H 1 1.5280 0.006 . 1 . . . A 74 LEU HB3 . 11570 1 190 . 1 1 22 22 LEU HG H 1 1.3650 0.006 . 1 . . . A 74 LEU HG . 11570 1 191 . 1 1 22 22 LEU HD21 H 1 0.8560 0.006 . 2 . . . A 74 LEU HD21 . 11570 1 192 . 1 1 22 22 LEU HD22 H 1 0.8560 0.006 . 2 . . . A 74 LEU HD22 . 11570 1 193 . 1 1 22 22 LEU HD23 H 1 0.8560 0.006 . 2 . . . A 74 LEU HD23 . 11570 1 194 . 1 1 22 22 LEU C C 13 176.3230 0.250 . 1 . . . A 74 LEU C . 11570 1 195 . 1 1 22 22 LEU CA C 13 55.1250 0.250 . 1 . . . A 74 LEU CA . 11570 1 196 . 1 1 22 22 LEU CB C 13 42.8000 0.250 . 1 . . . A 74 LEU CB . 11570 1 197 . 1 1 22 22 LEU CG C 13 27.0800 0.250 . 1 . . . A 74 LEU CG . 11570 1 198 . 1 1 22 22 LEU CD2 C 13 24.7000 0.250 . 2 . . . A 74 LEU CD2 . 11570 1 199 . 1 1 22 22 LEU N N 15 124.8050 0.250 . 1 . . . A 74 LEU N . 11570 1 200 . 1 1 23 23 ASP H H 1 8.4430 0.006 . 1 . . . A 75 ASP H . 11570 1 201 . 1 1 23 23 ASP HA H 1 4.6310 0.006 . 1 . . . A 75 ASP HA . 11570 1 202 . 1 1 23 23 ASP HB2 H 1 2.7880 0.006 . 2 . . . A 75 ASP HB2 . 11570 1 203 . 1 1 23 23 ASP HB3 H 1 2.5760 0.006 . 2 . . . A 75 ASP HB3 . 11570 1 204 . 1 1 23 23 ASP C C 13 176.8300 0.250 . 1 . . . A 75 ASP C . 11570 1 205 . 1 1 23 23 ASP CA C 13 53.3530 0.250 . 1 . . . A 75 ASP CA . 11570 1 206 . 1 1 23 23 ASP CB C 13 40.6200 0.250 . 1 . . . A 75 ASP CB . 11570 1 207 . 1 1 23 23 ASP N N 15 124.5540 0.250 . 1 . . . A 75 ASP N . 11570 1 208 . 1 1 24 24 LYS H H 1 8.4840 0.006 . 1 . . . A 76 LYS H . 11570 1 209 . 1 1 24 24 LYS HA H 1 3.9700 0.006 . 1 . . . A 76 LYS HA . 11570 1 210 . 1 1 24 24 LYS HB2 H 1 1.8120 0.006 . 2 . . . A 76 LYS HB2 . 11570 1 211 . 1 1 24 24 LYS HB3 H 1 1.8960 0.006 . 2 . . . A 76 LYS HB3 . 11570 1 212 . 1 1 24 24 LYS HG2 H 1 1.4260 0.006 . 2 . . . A 76 LYS HG2 . 11570 1 213 . 1 1 24 24 LYS HG3 H 1 1.5300 0.006 . 2 . . . A 76 LYS HG3 . 11570 1 214 . 1 1 24 24 LYS HD2 H 1 1.6790 0.006 . 2 . . . A 76 LYS HD2 . 11570 1 215 . 1 1 24 24 LYS HE2 H 1 2.9700 0.006 . 1 . . . A 76 LYS HE2 . 11570 1 216 . 1 1 24 24 LYS C C 13 178.1680 0.250 . 1 . . . A 76 LYS C . 11570 1 217 . 1 1 24 24 LYS CA C 13 58.7330 0.250 . 1 . . . A 76 LYS CA . 11570 1 218 . 1 1 24 24 LYS CB C 13 32.1710 0.250 . 1 . . . A 76 LYS CB . 11570 1 219 . 1 1 24 24 LYS CG C 13 25.4500 0.250 . 1 . . . A 76 LYS CG . 11570 1 220 . 1 1 24 24 LYS CD C 13 28.9700 0.250 . 1 . . . A 76 LYS CD . 11570 1 221 . 1 1 24 24 LYS CE C 13 41.8200 0.250 . 1 . . . A 76 LYS CE . 11570 1 222 . 1 1 24 24 LYS N N 15 124.5090 0.250 . 1 . . . A 76 LYS N . 11570 1 223 . 1 1 25 25 LYS H H 1 8.2520 0.006 . 1 . . . A 77 LYS H . 11570 1 224 . 1 1 25 25 LYS HA H 1 4.2000 0.006 . 1 . . . A 77 LYS HA . 11570 1 225 . 1 1 25 25 LYS HB2 H 1 1.8230 0.006 . 2 . . . A 77 LYS HB2 . 11570 1 226 . 1 1 25 25 LYS HB3 H 1 1.9180 0.006 . 2 . . . A 77 LYS HB3 . 11570 1 227 . 1 1 25 25 LYS HG2 H 1 1.4400 0.006 . 2 . . . A 77 LYS HG2 . 11570 1 228 . 1 1 25 25 LYS HG3 H 1 1.4940 0.006 . 2 . . . A 77 LYS HG3 . 11570 1 229 . 1 1 25 25 LYS HD2 H 1 1.6880 0.006 . 2 . . . A 77 LYS HD2 . 11570 1 230 . 1 1 25 25 LYS HE2 H 1 2.9720 0.006 . 1 . . . A 77 LYS HE2 . 11570 1 231 . 1 1 25 25 LYS C C 13 177.5220 0.250 . 1 . . . A 77 LYS C . 11570 1 232 . 1 1 25 25 LYS CA C 13 57.5240 0.250 . 1 . . . A 77 LYS CA . 11570 1 233 . 1 1 25 25 LYS CB C 13 31.9700 0.250 . 1 . . . A 77 LYS CB . 11570 1 234 . 1 1 25 25 LYS CG C 13 25.1790 0.250 . 1 . . . A 77 LYS CG . 11570 1 235 . 1 1 25 25 LYS CD C 13 28.8010 0.250 . 1 . . . A 77 LYS CD . 11570 1 236 . 1 1 25 25 LYS CE C 13 41.8200 0.250 . 1 . . . A 77 LYS CE . 11570 1 237 . 1 1 25 25 LYS N N 15 118.5680 0.250 . 1 . . . A 77 LYS N . 11570 1 238 . 1 1 26 26 GLN H H 1 8.1040 0.006 . 1 . . . A 78 GLN H . 11570 1 239 . 1 1 26 26 GLN HA H 1 4.2840 0.006 . 1 . . . A 78 GLN HA . 11570 1 240 . 1 1 26 26 GLN HB2 H 1 2.0340 0.006 . 2 . . . A 78 GLN HB2 . 11570 1 241 . 1 1 26 26 GLN HB3 H 1 2.4090 0.006 . 2 . . . A 78 GLN HB3 . 11570 1 242 . 1 1 26 26 GLN HG2 H 1 2.5660 0.006 . 2 . . . A 78 GLN HG2 . 11570 1 243 . 1 1 26 26 GLN HG3 H 1 2.2340 0.006 . 2 . . . A 78 GLN HG3 . 11570 1 244 . 1 1 26 26 GLN HE21 H 1 6.8010 0.006 . 1 . . . A 78 GLN HE21 . 11570 1 245 . 1 1 26 26 GLN HE22 H 1 7.5450 0.006 . 1 . . . A 78 GLN HE22 . 11570 1 246 . 1 1 26 26 GLN C C 13 174.9970 0.250 . 1 . . . A 78 GLN C . 11570 1 247 . 1 1 26 26 GLN CA C 13 55.3040 0.250 . 1 . . . A 78 GLN CA . 11570 1 248 . 1 1 26 26 GLN CB C 13 29.7300 0.250 . 1 . . . A 78 GLN CB . 11570 1 249 . 1 1 26 26 GLN CG C 13 33.7580 0.250 . 1 . . . A 78 GLN CG . 11570 1 250 . 1 1 26 26 GLN N N 15 116.7230 0.250 . 1 . . . A 78 GLN N . 11570 1 251 . 1 1 26 26 GLN NE2 N 15 112.5570 0.250 . 1 . . . A 78 GLN NE2 . 11570 1 252 . 1 1 27 27 VAL H H 1 7.4010 0.006 . 1 . . . A 79 VAL H . 11570 1 253 . 1 1 27 27 VAL HA H 1 4.2730 0.006 . 1 . . . A 79 VAL HA . 11570 1 254 . 1 1 27 27 VAL HB H 1 2.1820 0.006 . 1 . . . A 79 VAL HB . 11570 1 255 . 1 1 27 27 VAL HG11 H 1 1.0090 0.006 . 2 . . . A 79 VAL HG11 . 11570 1 256 . 1 1 27 27 VAL HG12 H 1 1.0090 0.006 . 2 . . . A 79 VAL HG12 . 11570 1 257 . 1 1 27 27 VAL HG13 H 1 1.0090 0.006 . 2 . . . A 79 VAL HG13 . 11570 1 258 . 1 1 27 27 VAL HG21 H 1 1.1630 0.006 . 2 . . . A 79 VAL HG21 . 11570 1 259 . 1 1 27 27 VAL HG22 H 1 1.1630 0.006 . 2 . . . A 79 VAL HG22 . 11570 1 260 . 1 1 27 27 VAL HG23 H 1 1.1630 0.006 . 2 . . . A 79 VAL HG23 . 11570 1 261 . 1 1 27 27 VAL C C 13 177.2410 0.250 . 1 . . . A 79 VAL C . 11570 1 262 . 1 1 27 27 VAL CA C 13 63.2690 0.250 . 1 . . . A 79 VAL CA . 11570 1 263 . 1 1 27 27 VAL CB C 13 32.1600 0.250 . 1 . . . A 79 VAL CB . 11570 1 264 . 1 1 27 27 VAL CG1 C 13 22.4500 0.250 . 1 . . . A 79 VAL CG1 . 11570 1 265 . 1 1 27 27 VAL CG2 C 13 22.0800 0.250 . 1 . . . A 79 VAL CG2 . 11570 1 266 . 1 1 27 27 VAL N N 15 120.5420 0.250 . 1 . . . A 79 VAL N . 11570 1 267 . 1 1 28 28 ILE H H 1 9.0070 0.006 . 1 . . . A 80 ILE H . 11570 1 268 . 1 1 28 28 ILE HA H 1 4.6330 0.006 . 1 . . . A 80 ILE HA . 11570 1 269 . 1 1 28 28 ILE HB H 1 2.1650 0.006 . 1 . . . A 80 ILE HB . 11570 1 270 . 1 1 28 28 ILE HG12 H 1 1.0300 0.006 . 1 . . . A 80 ILE HG12 . 11570 1 271 . 1 1 28 28 ILE HG13 H 1 0.8470 0.006 . 1 . . . A 80 ILE HG13 . 11570 1 272 . 1 1 28 28 ILE HG21 H 1 0.9050 0.006 . 1 . . . A 80 ILE HG21 . 11570 1 273 . 1 1 28 28 ILE HG22 H 1 0.9050 0.006 . 1 . . . A 80 ILE HG22 . 11570 1 274 . 1 1 28 28 ILE HG23 H 1 0.9050 0.006 . 1 . . . A 80 ILE HG23 . 11570 1 275 . 1 1 28 28 ILE HD11 H 1 0.8280 0.006 . 1 . . . A 80 ILE HD11 . 11570 1 276 . 1 1 28 28 ILE HD12 H 1 0.8280 0.006 . 1 . . . A 80 ILE HD12 . 11570 1 277 . 1 1 28 28 ILE HD13 H 1 0.8280 0.006 . 1 . . . A 80 ILE HD13 . 11570 1 278 . 1 1 28 28 ILE C C 13 175.4000 0.250 . 1 . . . A 80 ILE C . 11570 1 279 . 1 1 28 28 ILE CA C 13 60.9860 0.250 . 1 . . . A 80 ILE CA . 11570 1 280 . 1 1 28 28 ILE CB C 13 39.2400 0.250 . 1 . . . A 80 ILE CB . 11570 1 281 . 1 1 28 28 ILE CG1 C 13 26.5400 0.250 . 1 . . . A 80 ILE CG1 . 11570 1 282 . 1 1 28 28 ILE CG2 C 13 18.3500 0.250 . 1 . . . A 80 ILE CG2 . 11570 1 283 . 1 1 28 28 ILE CD1 C 13 14.2400 0.250 . 1 . . . A 80 ILE CD1 . 11570 1 284 . 1 1 28 28 ILE N N 15 121.3810 0.250 . 1 . . . A 80 ILE N . 11570 1 285 . 1 1 29 29 GLY H H 1 7.6490 0.006 . 1 . . . A 81 GLY H . 11570 1 286 . 1 1 29 29 GLY HA2 H 1 4.1300 0.006 . 2 . . . A 81 GLY HA2 . 11570 1 287 . 1 1 29 29 GLY HA3 H 1 4.5750 0.006 . 2 . . . A 81 GLY HA3 . 11570 1 288 . 1 1 29 29 GLY C C 13 172.2360 0.250 . 1 . . . A 81 GLY C . 11570 1 289 . 1 1 29 29 GLY CA C 13 46.1000 0.250 . 1 . . . A 81 GLY CA . 11570 1 290 . 1 1 29 29 GLY N N 15 109.4610 0.250 . 1 . . . A 81 GLY N . 11570 1 291 . 1 1 30 30 ARG H H 1 8.9080 0.006 . 1 . . . A 82 ARG H . 11570 1 292 . 1 1 30 30 ARG HA H 1 5.2440 0.006 . 1 . . . A 82 ARG HA . 11570 1 293 . 1 1 30 30 ARG HB2 H 1 1.8720 0.006 . 1 . . . A 82 ARG HB2 . 11570 1 294 . 1 1 30 30 ARG HB3 H 1 1.7810 0.006 . 1 . . . A 82 ARG HB3 . 11570 1 295 . 1 1 30 30 ARG HG3 H 1 1.5370 0.006 . 1 . . . A 82 ARG HG3 . 11570 1 296 . 1 1 30 30 ARG HD2 H 1 3.0800 0.006 . 1 . . . A 82 ARG HD2 . 11570 1 297 . 1 1 30 30 ARG HD3 H 1 2.9090 0.006 . 1 . . . A 82 ARG HD3 . 11570 1 298 . 1 1 30 30 ARG HE H 1 7.3350 0.006 . 1 . . . A 82 ARG HE . 11570 1 299 . 1 1 30 30 ARG C C 13 172.7550 0.250 . 1 . . . A 82 ARG C . 11570 1 300 . 1 1 30 30 ARG CA C 13 55.4500 0.250 . 1 . . . A 82 ARG CA . 11570 1 301 . 1 1 30 30 ARG CB C 13 34.6900 0.250 . 1 . . . A 82 ARG CB . 11570 1 302 . 1 1 30 30 ARG CG C 13 27.6300 0.250 . 1 . . . A 82 ARG CG . 11570 1 303 . 1 1 30 30 ARG CD C 13 42.8600 0.250 . 1 . . . A 82 ARG CD . 11570 1 304 . 1 1 30 30 ARG CZ C 13 159.2080 0.250 . 1 . . . A 82 ARG CZ . 11570 1 305 . 1 1 30 30 ARG N N 15 121.9040 0.250 . 1 . . . A 82 ARG N . 11570 1 306 . 1 1 30 30 ARG NE N 15 84.0540 0.250 . 1 . . . A 82 ARG NE . 11570 1 307 . 1 1 31 31 ILE H H 1 9.3960 0.006 . 1 . . . A 83 ILE H . 11570 1 308 . 1 1 31 31 ILE HA H 1 5.6370 0.006 . 1 . . . A 83 ILE HA . 11570 1 309 . 1 1 31 31 ILE HB H 1 1.4240 0.006 . 1 . . . A 83 ILE HB . 11570 1 310 . 1 1 31 31 ILE HG12 H 1 1.6950 0.006 . 1 . . . A 83 ILE HG12 . 11570 1 311 . 1 1 31 31 ILE HG13 H 1 0.7260 0.006 . 1 . . . A 83 ILE HG13 . 11570 1 312 . 1 1 31 31 ILE HG21 H 1 0.9070 0.006 . 1 . . . A 83 ILE HG21 . 11570 1 313 . 1 1 31 31 ILE HG22 H 1 0.9070 0.006 . 1 . . . A 83 ILE HG22 . 11570 1 314 . 1 1 31 31 ILE HG23 H 1 0.9070 0.006 . 1 . . . A 83 ILE HG23 . 11570 1 315 . 1 1 31 31 ILE HD11 H 1 0.6750 0.006 . 1 . . . A 83 ILE HD11 . 11570 1 316 . 1 1 31 31 ILE HD12 H 1 0.6750 0.006 . 1 . . . A 83 ILE HD12 . 11570 1 317 . 1 1 31 31 ILE HD13 H 1 0.6750 0.006 . 1 . . . A 83 ILE HD13 . 11570 1 318 . 1 1 31 31 ILE C C 13 172.5940 0.250 . 1 . . . A 83 ILE C . 11570 1 319 . 1 1 31 31 ILE CA C 13 57.8540 0.250 . 1 . . . A 83 ILE CA . 11570 1 320 . 1 1 31 31 ILE CB C 13 41.5100 0.250 . 1 . . . A 83 ILE CB . 11570 1 321 . 1 1 31 31 ILE CG1 C 13 28.8000 0.250 . 1 . . . A 83 ILE CG1 . 11570 1 322 . 1 1 31 31 ILE CG2 C 13 15.5400 0.250 . 1 . . . A 83 ILE CG2 . 11570 1 323 . 1 1 31 31 ILE CD1 C 13 14.9600 0.250 . 1 . . . A 83 ILE CD1 . 11570 1 324 . 1 1 31 31 ILE N N 15 120.5560 0.250 . 1 . . . A 83 ILE N . 11570 1 325 . 1 1 32 32 SER H H 1 9.5580 0.006 . 1 . . . A 84 SER H . 11570 1 326 . 1 1 32 32 SER HA H 1 5.5450 0.006 . 1 . . . A 84 SER HA . 11570 1 327 . 1 1 32 32 SER HB2 H 1 3.9970 0.006 . 2 . . . A 84 SER HB2 . 11570 1 328 . 1 1 32 32 SER HB3 H 1 3.9660 0.006 . 2 . . . A 84 SER HB3 . 11570 1 329 . 1 1 32 32 SER C C 13 174.4810 0.250 . 1 . . . A 84 SER C . 11570 1 330 . 1 1 32 32 SER CA C 13 55.5700 0.250 . 1 . . . A 84 SER CA . 11570 1 331 . 1 1 32 32 SER CB C 13 65.8050 0.250 . 1 . . . A 84 SER CB . 11570 1 332 . 1 1 32 32 SER N N 15 122.1450 0.250 . 1 . . . A 84 SER N . 11570 1 333 . 1 1 33 33 ILE H H 1 9.1280 0.006 . 1 . . . A 85 ILE H . 11570 1 334 . 1 1 33 33 ILE HA H 1 4.9760 0.006 . 1 . . . A 85 ILE HA . 11570 1 335 . 1 1 33 33 ILE HB H 1 2.0040 0.006 . 1 . . . A 85 ILE HB . 11570 1 336 . 1 1 33 33 ILE HG12 H 1 1.5720 0.006 . 1 . . . A 85 ILE HG12 . 11570 1 337 . 1 1 33 33 ILE HG13 H 1 1.1280 0.006 . 1 . . . A 85 ILE HG13 . 11570 1 338 . 1 1 33 33 ILE HG21 H 1 0.9500 0.006 . 1 . . . A 85 ILE HG21 . 11570 1 339 . 1 1 33 33 ILE HG22 H 1 0.9500 0.006 . 1 . . . A 85 ILE HG22 . 11570 1 340 . 1 1 33 33 ILE HG23 H 1 0.9500 0.006 . 1 . . . A 85 ILE HG23 . 11570 1 341 . 1 1 33 33 ILE HD11 H 1 0.5460 0.006 . 1 . . . A 85 ILE HD11 . 11570 1 342 . 1 1 33 33 ILE HD12 H 1 0.5460 0.006 . 1 . . . A 85 ILE HD12 . 11570 1 343 . 1 1 33 33 ILE HD13 H 1 0.5460 0.006 . 1 . . . A 85 ILE HD13 . 11570 1 344 . 1 1 33 33 ILE C C 13 174.6530 0.250 . 1 . . . A 85 ILE C . 11570 1 345 . 1 1 33 33 ILE CA C 13 58.7020 0.250 . 1 . . . A 85 ILE CA . 11570 1 346 . 1 1 33 33 ILE CB C 13 38.5300 0.250 . 1 . . . A 85 ILE CB . 11570 1 347 . 1 1 33 33 ILE CG1 C 13 26.0600 0.250 . 1 . . . A 85 ILE CG1 . 11570 1 348 . 1 1 33 33 ILE CG2 C 13 19.4700 0.250 . 1 . . . A 85 ILE CG2 . 11570 1 349 . 1 1 33 33 ILE CD1 C 13 13.8700 0.250 . 1 . . . A 85 ILE CD1 . 11570 1 350 . 1 1 33 33 ILE N N 15 124.2860 0.250 . 1 . . . A 85 ILE N . 11570 1 351 . 1 1 34 34 PRO HA H 1 4.4650 0.006 . 1 . . . A 86 PRO HA . 11570 1 352 . 1 1 34 34 PRO HB2 H 1 2.4340 0.006 . 2 . . . A 86 PRO HB2 . 11570 1 353 . 1 1 34 34 PRO HB3 H 1 2.0800 0.006 . 2 . . . A 86 PRO HB3 . 11570 1 354 . 1 1 34 34 PRO HG2 H 1 2.2580 0.006 . 2 . . . A 86 PRO HG2 . 11570 1 355 . 1 1 34 34 PRO HG3 H 1 2.0720 0.006 . 2 . . . A 86 PRO HG3 . 11570 1 356 . 1 1 34 34 PRO HD2 H 1 3.9070 0.006 . 2 . . . A 86 PRO HD2 . 11570 1 357 . 1 1 34 34 PRO HD3 H 1 4.1130 0.006 . 2 . . . A 86 PRO HD3 . 11570 1 358 . 1 1 34 34 PRO C C 13 180.3510 0.250 . 1 . . . A 86 PRO C . 11570 1 359 . 1 1 34 34 PRO CA C 13 65.5350 0.250 . 1 . . . A 86 PRO CA . 11570 1 360 . 1 1 34 34 PRO CB C 13 32.2100 0.250 . 1 . . . A 86 PRO CB . 11570 1 361 . 1 1 34 34 PRO CG C 13 27.5100 0.250 . 1 . . . A 86 PRO CG . 11570 1 362 . 1 1 34 34 PRO CD C 13 50.7700 0.250 . 1 . . . A 86 PRO CD . 11570 1 363 . 1 1 35 35 SER H H 1 9.3320 0.006 . 1 . . . A 87 SER H . 11570 1 364 . 1 1 35 35 SER HA H 1 4.1630 0.006 . 1 . . . A 87 SER HA . 11570 1 365 . 1 1 35 35 SER HB2 H 1 3.7940 0.006 . 2 . . . A 87 SER HB2 . 11570 1 366 . 1 1 35 35 SER HB3 H 1 3.8560 0.006 . 2 . . . A 87 SER HB3 . 11570 1 367 . 1 1 35 35 SER C C 13 175.7920 0.250 . 1 . . . A 87 SER C . 11570 1 368 . 1 1 35 35 SER CA C 13 61.8100 0.250 . 1 . . . A 87 SER CA . 11570 1 369 . 1 1 35 35 SER CB C 13 62.6580 0.250 . 1 . . . A 87 SER CB . 11570 1 370 . 1 1 35 35 SER N N 15 114.1890 0.250 . 1 . . . A 87 SER N . 11570 1 371 . 1 1 36 36 VAL H H 1 6.9670 0.006 . 1 . . . A 88 VAL H . 11570 1 372 . 1 1 36 36 VAL HA H 1 4.6930 0.006 . 1 . . . A 88 VAL HA . 11570 1 373 . 1 1 36 36 VAL HB H 1 2.4490 0.006 . 1 . . . A 88 VAL HB . 11570 1 374 . 1 1 36 36 VAL HG11 H 1 0.6400 0.006 . 2 . . . A 88 VAL HG11 . 11570 1 375 . 1 1 36 36 VAL HG12 H 1 0.6400 0.006 . 2 . . . A 88 VAL HG12 . 11570 1 376 . 1 1 36 36 VAL HG13 H 1 0.6400 0.006 . 2 . . . A 88 VAL HG13 . 11570 1 377 . 1 1 36 36 VAL HG21 H 1 0.6170 0.006 . 2 . . . A 88 VAL HG21 . 11570 1 378 . 1 1 36 36 VAL HG22 H 1 0.6170 0.006 . 2 . . . A 88 VAL HG22 . 11570 1 379 . 1 1 36 36 VAL HG23 H 1 0.6170 0.006 . 2 . . . A 88 VAL HG23 . 11570 1 380 . 1 1 36 36 VAL C C 13 174.8460 0.250 . 1 . . . A 88 VAL C . 11570 1 381 . 1 1 36 36 VAL CA C 13 59.6950 0.250 . 1 . . . A 88 VAL CA . 11570 1 382 . 1 1 36 36 VAL CB C 13 30.8600 0.250 . 1 . . . A 88 VAL CB . 11570 1 383 . 1 1 36 36 VAL CG1 C 13 21.1500 0.250 . 1 . . . A 88 VAL CG1 . 11570 1 384 . 1 1 36 36 VAL CG2 C 13 18.6000 0.250 . 1 . . . A 88 VAL CG2 . 11570 1 385 . 1 1 36 36 VAL N N 15 109.2030 0.250 . 1 . . . A 88 VAL N . 11570 1 386 . 1 1 37 37 SER H H 1 7.9590 0.006 . 1 . . . A 89 SER H . 11570 1 387 . 1 1 37 37 SER HA H 1 3.9460 0.006 . 1 . . . A 89 SER HA . 11570 1 388 . 1 1 37 37 SER HB2 H 1 4.0280 0.006 . 2 . . . A 89 SER HB2 . 11570 1 389 . 1 1 37 37 SER HB3 H 1 3.8830 0.006 . 2 . . . A 89 SER HB3 . 11570 1 390 . 1 1 37 37 SER C C 13 172.5810 0.250 . 1 . . . A 89 SER C . 11570 1 391 . 1 1 37 37 SER CA C 13 58.6410 0.250 . 1 . . . A 89 SER CA . 11570 1 392 . 1 1 37 37 SER CB C 13 61.3260 0.250 . 1 . . . A 89 SER CB . 11570 1 393 . 1 1 37 37 SER N N 15 116.2410 0.250 . 1 . . . A 89 SER N . 11570 1 394 . 1 1 38 38 LEU H H 1 7.4290 0.006 . 1 . . . A 90 LEU H . 11570 1 395 . 1 1 38 38 LEU HA H 1 4.6560 0.006 . 1 . . . A 90 LEU HA . 11570 1 396 . 1 1 38 38 LEU HB2 H 1 1.5090 0.006 . 1 . . . A 90 LEU HB2 . 11570 1 397 . 1 1 38 38 LEU HB3 H 1 1.5340 0.006 . 1 . . . A 90 LEU HB3 . 11570 1 398 . 1 1 38 38 LEU HG H 1 1.6130 0.006 . 1 . . . A 90 LEU HG . 11570 1 399 . 1 1 38 38 LEU HD11 H 1 0.7960 0.006 . 2 . . . A 90 LEU HD11 . 11570 1 400 . 1 1 38 38 LEU HD12 H 1 0.7960 0.006 . 2 . . . A 90 LEU HD12 . 11570 1 401 . 1 1 38 38 LEU HD13 H 1 0.7960 0.006 . 2 . . . A 90 LEU HD13 . 11570 1 402 . 1 1 38 38 LEU HD21 H 1 0.9360 0.006 . 2 . . . A 90 LEU HD21 . 11570 1 403 . 1 1 38 38 LEU HD22 H 1 0.9360 0.006 . 2 . . . A 90 LEU HD22 . 11570 1 404 . 1 1 38 38 LEU HD23 H 1 0.9360 0.006 . 2 . . . A 90 LEU HD23 . 11570 1 405 . 1 1 38 38 LEU C C 13 176.2070 0.250 . 1 . . . A 90 LEU C . 11570 1 406 . 1 1 38 38 LEU CA C 13 54.2160 0.250 . 1 . . . A 90 LEU CA . 11570 1 407 . 1 1 38 38 LEU CB C 13 45.6200 0.250 . 1 . . . A 90 LEU CB . 11570 1 408 . 1 1 38 38 LEU CG C 13 27.0277 0.250 . 1 . . . A 90 LEU CG . 11570 1 409 . 1 1 38 38 LEU CD1 C 13 25.7100 0.250 . 2 . . . A 90 LEU CD1 . 11570 1 410 . 1 1 38 38 LEU CD2 C 13 26.7538 0.250 . 2 . . . A 90 LEU CD2 . 11570 1 411 . 1 1 38 38 LEU N N 15 120.8670 0.250 . 1 . . . A 90 LEU N . 11570 1 412 . 1 1 39 39 GLU H H 1 8.9640 0.006 . 1 . . . A 91 GLU H . 11570 1 413 . 1 1 39 39 GLU HA H 1 5.1880 0.006 . 1 . . . A 91 GLU HA . 11570 1 414 . 1 1 39 39 GLU HB2 H 1 1.9890 0.006 . 2 . . . A 91 GLU HB2 . 11570 1 415 . 1 1 39 39 GLU HB3 H 1 1.9050 0.006 . 2 . . . A 91 GLU HB3 . 11570 1 416 . 1 1 39 39 GLU HG2 H 1 2.1820 0.006 . 2 . . . A 91 GLU HG2 . 11570 1 417 . 1 1 39 39 GLU HG3 H 1 2.0890 0.006 . 2 . . . A 91 GLU HG3 . 11570 1 418 . 1 1 39 39 GLU C C 13 174.7825 0.250 . 1 . . . A 91 GLU C . 11570 1 419 . 1 1 39 39 GLU CA C 13 56.3030 0.250 . 1 . . . A 91 GLU CA . 11570 1 420 . 1 1 39 39 GLU CB C 13 31.7400 0.250 . 1 . . . A 91 GLU CB . 11570 1 421 . 1 1 39 39 GLU CG C 13 35.9200 0.250 . 1 . . . A 91 GLU CG . 11570 1 422 . 1 1 39 39 GLU N N 15 130.4910 0.250 . 1 . . . A 91 GLU N . 11570 1 423 . 1 1 40 40 LEU H H 1 8.8070 0.006 . 1 . . . A 92 LEU H . 11570 1 424 . 1 1 40 40 LEU HA H 1 5.2180 0.006 . 1 . . . A 92 LEU HA . 11570 1 425 . 1 1 40 40 LEU HB2 H 1 1.5140 0.006 . 1 . . . A 92 LEU HB2 . 11570 1 426 . 1 1 40 40 LEU HB3 H 1 1.6130 0.006 . 1 . . . A 92 LEU HB3 . 11570 1 427 . 1 1 40 40 LEU HG H 1 1.6460 0.006 . 1 . . . A 92 LEU HG . 11570 1 428 . 1 1 40 40 LEU HD11 H 1 0.8700 0.006 . 2 . . . A 92 LEU HD11 . 11570 1 429 . 1 1 40 40 LEU HD12 H 1 0.8700 0.006 . 2 . . . A 92 LEU HD12 . 11570 1 430 . 1 1 40 40 LEU HD13 H 1 0.8700 0.006 . 2 . . . A 92 LEU HD13 . 11570 1 431 . 1 1 40 40 LEU HD21 H 1 1.2320 0.006 . 2 . . . A 92 LEU HD21 . 11570 1 432 . 1 1 40 40 LEU HD22 H 1 1.2320 0.006 . 2 . . . A 92 LEU HD22 . 11570 1 433 . 1 1 40 40 LEU HD23 H 1 1.2320 0.006 . 2 . . . A 92 LEU HD23 . 11570 1 434 . 1 1 40 40 LEU C C 13 173.2730 0.250 . 1 . . . A 92 LEU C . 11570 1 435 . 1 1 40 40 LEU CA C 13 51.5720 0.250 . 1 . . . A 92 LEU CA . 11570 1 436 . 1 1 40 40 LEU CB C 13 46.5800 0.250 . 1 . . . A 92 LEU CB . 11570 1 437 . 1 1 40 40 LEU CG C 13 26.6500 0.250 . 1 . . . A 92 LEU CG . 11570 1 438 . 1 1 40 40 LEU CD1 C 13 26.7300 0.250 . 2 . . . A 92 LEU CD1 . 11570 1 439 . 1 1 40 40 LEU CD2 C 13 23.8300 0.250 . 2 . . . A 92 LEU CD2 . 11570 1 440 . 1 1 40 40 LEU N N 15 124.0570 0.250 . 1 . . . A 92 LEU N . 11570 1 441 . 1 1 41 41 PRO HA H 1 4.8610 0.006 . 1 . . . A 93 PRO HA . 11570 1 442 . 1 1 41 41 PRO HB2 H 1 2.3960 0.006 . 2 . . . A 93 PRO HB2 . 11570 1 443 . 1 1 41 41 PRO HB3 H 1 1.8030 0.006 . 2 . . . A 93 PRO HB3 . 11570 1 444 . 1 1 41 41 PRO HG2 H 1 2.1040 0.006 . 2 . . . A 93 PRO HG2 . 11570 1 445 . 1 1 41 41 PRO HG3 H 1 2.0570 0.006 . 2 . . . A 93 PRO HG3 . 11570 1 446 . 1 1 41 41 PRO HD2 H 1 3.8720 0.006 . 2 . . . A 93 PRO HD2 . 11570 1 447 . 1 1 41 41 PRO HD3 H 1 3.9180 0.006 . 2 . . . A 93 PRO HD3 . 11570 1 448 . 1 1 41 41 PRO C C 13 174.6520 0.250 . 1 . . . A 93 PRO C . 11570 1 449 . 1 1 41 41 PRO CA C 13 62.5830 0.250 . 1 . . . A 93 PRO CA . 11570 1 450 . 1 1 41 41 PRO CB C 13 32.4600 0.250 . 1 . . . A 93 PRO CB . 11570 1 451 . 1 1 41 41 PRO CG C 13 27.1900 0.250 . 1 . . . A 93 PRO CG . 11570 1 452 . 1 1 41 41 PRO CD C 13 50.1280 0.250 . 1 . . . A 93 PRO CD . 11570 1 453 . 1 1 42 42 VAL H H 1 7.9430 0.006 . 1 . . . A 94 VAL H . 11570 1 454 . 1 1 42 42 VAL HA H 1 4.8070 0.006 . 1 . . . A 94 VAL HA . 11570 1 455 . 1 1 42 42 VAL HB H 1 1.2810 0.006 . 1 . . . A 94 VAL HB . 11570 1 456 . 1 1 42 42 VAL HG11 H 1 0.7690 0.006 . 2 . . . A 94 VAL HG11 . 11570 1 457 . 1 1 42 42 VAL HG12 H 1 0.7690 0.006 . 2 . . . A 94 VAL HG12 . 11570 1 458 . 1 1 42 42 VAL HG13 H 1 0.7690 0.006 . 2 . . . A 94 VAL HG13 . 11570 1 459 . 1 1 42 42 VAL HG21 H 1 0.8820 0.006 . 2 . . . A 94 VAL HG21 . 11570 1 460 . 1 1 42 42 VAL HG22 H 1 0.8820 0.006 . 2 . . . A 94 VAL HG22 . 11570 1 461 . 1 1 42 42 VAL HG23 H 1 0.8820 0.006 . 2 . . . A 94 VAL HG23 . 11570 1 462 . 1 1 42 42 VAL C C 13 174.8210 0.250 . 1 . . . A 94 VAL C . 11570 1 463 . 1 1 42 42 VAL CA C 13 61.2470 0.250 . 1 . . . A 94 VAL CA . 11570 1 464 . 1 1 42 42 VAL CB C 13 33.0000 0.250 . 1 . . . A 94 VAL CB . 11570 1 465 . 1 1 42 42 VAL CG1 C 13 21.6400 0.250 . 1 . . . A 94 VAL CG1 . 11570 1 466 . 1 1 42 42 VAL CG2 C 13 22.2390 0.250 . 1 . . . A 94 VAL CG2 . 11570 1 467 . 1 1 42 42 VAL N N 15 120.7110 0.250 . 1 . . . A 94 VAL N . 11570 1 468 . 1 1 43 43 LEU H H 1 9.2390 0.006 . 1 . . . A 95 LEU H . 11570 1 469 . 1 1 43 43 LEU HA H 1 5.2880 0.006 . 1 . . . A 95 LEU HA . 11570 1 470 . 1 1 43 43 LEU HB2 H 1 1.3300 0.006 . 1 . . . A 95 LEU HB2 . 11570 1 471 . 1 1 43 43 LEU HB3 H 1 1.5600 0.006 . 1 . . . A 95 LEU HB3 . 11570 1 472 . 1 1 43 43 LEU HG H 1 1.4680 0.006 . 1 . . . A 95 LEU HG . 11570 1 473 . 1 1 43 43 LEU HD11 H 1 0.7150 0.006 . 2 . . . A 95 LEU HD11 . 11570 1 474 . 1 1 43 43 LEU HD12 H 1 0.7150 0.006 . 2 . . . A 95 LEU HD12 . 11570 1 475 . 1 1 43 43 LEU HD13 H 1 0.7150 0.006 . 2 . . . A 95 LEU HD13 . 11570 1 476 . 1 1 43 43 LEU HD21 H 1 0.7320 0.006 . 2 . . . A 95 LEU HD21 . 11570 1 477 . 1 1 43 43 LEU HD22 H 1 0.7320 0.006 . 2 . . . A 95 LEU HD22 . 11570 1 478 . 1 1 43 43 LEU HD23 H 1 0.7320 0.006 . 2 . . . A 95 LEU HD23 . 11570 1 479 . 1 1 43 43 LEU C C 13 176.3920 0.250 . 1 . . . A 95 LEU C . 11570 1 480 . 1 1 43 43 LEU CA C 13 52.8200 0.250 . 1 . . . A 95 LEU CA . 11570 1 481 . 1 1 43 43 LEU CB C 13 44.4200 0.250 . 1 . . . A 95 LEU CB . 11570 1 482 . 1 1 43 43 LEU CG C 13 28.6400 0.250 . 1 . . . A 95 LEU CG . 11570 1 483 . 1 1 43 43 LEU CD1 C 13 26.1000 0.250 . 2 . . . A 95 LEU CD1 . 11570 1 484 . 1 1 43 43 LEU CD2 C 13 26.1000 0.250 . 2 . . . A 95 LEU CD2 . 11570 1 485 . 1 1 43 43 LEU N N 15 128.4270 0.250 . 1 . . . A 95 LEU N . 11570 1 486 . 1 1 44 44 LYS H H 1 8.3150 0.006 . 1 . . . A 96 LYS H . 11570 1 487 . 1 1 44 44 LYS HA H 1 4.3430 0.006 . 1 . . . A 96 LYS HA . 11570 1 488 . 1 1 44 44 LYS HB2 H 1 1.7140 0.006 . 2 . . . A 96 LYS HB2 . 11570 1 489 . 1 1 44 44 LYS HB3 H 1 1.8700 0.006 . 2 . . . A 96 LYS HB3 . 11570 1 490 . 1 1 44 44 LYS HG2 H 1 1.4010 0.006 . 2 . . . A 96 LYS HG2 . 11570 1 491 . 1 1 44 44 LYS HE2 H 1 2.9660 0.006 . 1 . . . A 96 LYS HE2 . 11570 1 492 . 1 1 44 44 LYS CA C 13 56.9700 0.250 . 1 . . . A 96 LYS CA . 11570 1 493 . 1 1 44 44 LYS CB C 13 33.3300 0.250 . 1 . . . A 96 LYS CB . 11570 1 494 . 1 1 44 44 LYS N N 15 119.0330 0.250 . 1 . . . A 96 LYS N . 11570 1 495 . 1 1 45 45 SER C C 13 174.8190 0.250 . 1 . . . A 97 SER C . 11570 1 496 . 1 1 45 45 SER CA C 13 59.7890 0.250 . 1 . . . A 97 SER CA . 11570 1 497 . 1 1 45 45 SER CB C 13 63.6220 0.250 . 1 . . . A 97 SER CB . 11570 1 498 . 1 1 46 46 SER H H 1 8.7840 0.006 . 1 . . . A 98 SER H . 11570 1 499 . 1 1 46 46 SER HA H 1 4.1850 0.006 . 1 . . . A 98 SER HA . 11570 1 500 . 1 1 46 46 SER HB2 H 1 3.8790 0.006 . 2 . . . A 98 SER HB2 . 11570 1 501 . 1 1 46 46 SER HB3 H 1 3.6220 0.006 . 2 . . . A 98 SER HB3 . 11570 1 502 . 1 1 46 46 SER C C 13 174.6850 0.250 . 1 . . . A 98 SER C . 11570 1 503 . 1 1 46 46 SER CA C 13 57.4070 0.250 . 1 . . . A 98 SER CA . 11570 1 504 . 1 1 46 46 SER CB C 13 61.9460 0.250 . 1 . . . A 98 SER CB . 11570 1 505 . 1 1 46 46 SER N N 15 122.0250 0.250 . 1 . . . A 98 SER N . 11570 1 506 . 1 1 47 47 THR H H 1 7.2990 0.006 . 1 . . . A 99 THR H . 11570 1 507 . 1 1 47 47 THR HA H 1 4.3030 0.006 . 1 . . . A 99 THR HA . 11570 1 508 . 1 1 47 47 THR HB H 1 4.4910 0.006 . 1 . . . A 99 THR HB . 11570 1 509 . 1 1 47 47 THR HG21 H 1 1.1670 0.006 . 1 . . . A 99 THR HG21 . 11570 1 510 . 1 1 47 47 THR HG22 H 1 1.1670 0.006 . 1 . . . A 99 THR HG22 . 11570 1 511 . 1 1 47 47 THR HG23 H 1 1.1670 0.006 . 1 . . . A 99 THR HG23 . 11570 1 512 . 1 1 47 47 THR C C 13 174.6550 0.250 . 1 . . . A 99 THR C . 11570 1 513 . 1 1 47 47 THR CA C 13 59.8640 0.250 . 1 . . . A 99 THR CA . 11570 1 514 . 1 1 47 47 THR CB C 13 70.4500 0.250 . 1 . . . A 99 THR CB . 11570 1 515 . 1 1 47 47 THR CG2 C 13 21.9500 0.250 . 1 . . . A 99 THR CG2 . 11570 1 516 . 1 1 47 47 THR N N 15 112.7870 0.250 . 1 . . . A 99 THR N . 11570 1 517 . 1 1 48 48 GLU H H 1 8.8710 0.006 . 1 . . . A 100 GLU H . 11570 1 518 . 1 1 48 48 GLU HA H 1 3.9130 0.006 . 1 . . . A 100 GLU HA . 11570 1 519 . 1 1 48 48 GLU HB2 H 1 1.9860 0.006 . 2 . . . A 100 GLU HB2 . 11570 1 520 . 1 1 48 48 GLU HB3 H 1 2.0210 0.006 . 2 . . . A 100 GLU HB3 . 11570 1 521 . 1 1 48 48 GLU HG2 H 1 2.3290 0.006 . 2 . . . A 100 GLU HG2 . 11570 1 522 . 1 1 48 48 GLU HG3 H 1 2.2170 0.006 . 2 . . . A 100 GLU HG3 . 11570 1 523 . 1 1 48 48 GLU C C 13 178.9060 0.250 . 1 . . . A 100 GLU C . 11570 1 524 . 1 1 48 48 GLU CA C 13 59.8390 0.250 . 1 . . . A 100 GLU CA . 11570 1 525 . 1 1 48 48 GLU CB C 13 29.3300 0.250 . 1 . . . A 100 GLU CB . 11570 1 526 . 1 1 48 48 GLU CG C 13 36.4500 0.250 . 1 . . . A 100 GLU CG . 11570 1 527 . 1 1 48 48 GLU N N 15 121.8020 0.250 . 1 . . . A 100 GLU N . 11570 1 528 . 1 1 49 49 LYS H H 1 8.2260 0.006 . 1 . . . A 101 LYS H . 11570 1 529 . 1 1 49 49 LYS HA H 1 3.9700 0.006 . 1 . . . A 101 LYS HA . 11570 1 530 . 1 1 49 49 LYS HB2 H 1 1.7470 0.006 . 2 . . . A 101 LYS HB2 . 11570 1 531 . 1 1 49 49 LYS HB3 H 1 1.6630 0.006 . 2 . . . A 101 LYS HB3 . 11570 1 532 . 1 1 49 49 LYS HG2 H 1 1.4310 0.006 . 2 . . . A 101 LYS HG2 . 11570 1 533 . 1 1 49 49 LYS HG3 H 1 1.3520 0.006 . 2 . . . A 101 LYS HG3 . 11570 1 534 . 1 1 49 49 LYS HD2 H 1 1.6300 0.006 . 2 . . . A 101 LYS HD2 . 11570 1 535 . 1 1 49 49 LYS HE3 H 1 2.9220 0.006 . 1 . . . A 101 LYS HE3 . 11570 1 536 . 1 1 49 49 LYS C C 13 179.5990 0.250 . 1 . . . A 101 LYS C . 11570 1 537 . 1 1 49 49 LYS CA C 13 58.7854 0.250 . 1 . . . A 101 LYS CA . 11570 1 538 . 1 1 49 49 LYS CB C 13 32.3500 0.250 . 1 . . . A 101 LYS CB . 11570 1 539 . 1 1 49 49 LYS CG C 13 25.2000 0.250 . 1 . . . A 101 LYS CG . 11570 1 540 . 1 1 49 49 LYS CD C 13 28.9900 0.250 . 1 . . . A 101 LYS CD . 11570 1 541 . 1 1 49 49 LYS CE C 13 41.7075 0.250 . 1 . . . A 101 LYS CE . 11570 1 542 . 1 1 49 49 LYS N N 15 115.7510 0.250 . 1 . . . A 101 LYS N . 11570 1 543 . 1 1 50 50 ASN H H 1 7.6870 0.006 . 1 . . . A 102 ASN H . 11570 1 544 . 1 1 50 50 ASN HA H 1 4.3050 0.006 . 1 . . . A 102 ASN HA . 11570 1 545 . 1 1 50 50 ASN HB2 H 1 3.0000 0.006 . 2 . . . A 102 ASN HB2 . 11570 1 546 . 1 1 50 50 ASN HB3 H 1 2.3940 0.006 . 2 . . . A 102 ASN HB3 . 11570 1 547 . 1 1 50 50 ASN HD21 H 1 7.9570 0.006 . 1 . . . A 102 ASN HD21 . 11570 1 548 . 1 1 50 50 ASN HD22 H 1 6.6610 0.006 . 1 . . . A 102 ASN HD22 . 11570 1 549 . 1 1 50 50 ASN C C 13 177.9330 0.250 . 1 . . . A 102 ASN C . 11570 1 550 . 1 1 50 50 ASN CA C 13 55.4710 0.250 . 1 . . . A 102 ASN CA . 11570 1 551 . 1 1 50 50 ASN CB C 13 36.9300 0.250 . 1 . . . A 102 ASN CB . 11570 1 552 . 1 1 50 50 ASN CG C 13 174.4680 0.250 . 1 . . . A 102 ASN CG . 11570 1 553 . 1 1 50 50 ASN N N 15 120.8800 0.250 . 1 . . . A 102 ASN N . 11570 1 554 . 1 1 50 50 ASN ND2 N 15 110.8000 0.250 . 1 . . . A 102 ASN ND2 . 11570 1 555 . 1 1 51 51 LEU H H 1 7.9720 0.006 . 1 . . . A 103 LEU H . 11570 1 556 . 1 1 51 51 LEU HA H 1 4.1300 0.006 . 1 . . . A 103 LEU HA . 11570 1 557 . 1 1 51 51 LEU HB2 H 1 1.1270 0.006 . 1 . . . A 103 LEU HB2 . 11570 1 558 . 1 1 51 51 LEU HB3 H 1 1.6960 0.006 . 1 . . . A 103 LEU HB3 . 11570 1 559 . 1 1 51 51 LEU HG H 1 1.4510 0.006 . 1 . . . A 103 LEU HG . 11570 1 560 . 1 1 51 51 LEU HD11 H 1 0.5720 0.006 . 2 . . . A 103 LEU HD11 . 11570 1 561 . 1 1 51 51 LEU HD12 H 1 0.5720 0.006 . 2 . . . A 103 LEU HD12 . 11570 1 562 . 1 1 51 51 LEU HD13 H 1 0.5720 0.006 . 2 . . . A 103 LEU HD13 . 11570 1 563 . 1 1 51 51 LEU HD21 H 1 0.5790 0.006 . 2 . . . A 103 LEU HD21 . 11570 1 564 . 1 1 51 51 LEU HD22 H 1 0.5790 0.006 . 2 . . . A 103 LEU HD22 . 11570 1 565 . 1 1 51 51 LEU HD23 H 1 0.5790 0.006 . 2 . . . A 103 LEU HD23 . 11570 1 566 . 1 1 51 51 LEU C C 13 177.3380 0.250 . 1 . . . A 103 LEU C . 11570 1 567 . 1 1 51 51 LEU CA C 13 56.4910 0.250 . 1 . . . A 103 LEU CA . 11570 1 568 . 1 1 51 51 LEU CB C 13 41.4800 0.250 . 1 . . . A 103 LEU CB . 11570 1 569 . 1 1 51 51 LEU CG C 13 27.4500 0.250 . 1 . . . A 103 LEU CG . 11570 1 570 . 1 1 51 51 LEU CD1 C 13 24.1400 0.250 . 2 . . . A 103 LEU CD1 . 11570 1 571 . 1 1 51 51 LEU CD2 C 13 26.5800 0.250 . 2 . . . A 103 LEU CD2 . 11570 1 572 . 1 1 51 51 LEU N N 15 118.6610 0.250 . 1 . . . A 103 LEU N . 11570 1 573 . 1 1 52 52 LEU H H 1 7.1640 0.006 . 1 . . . A 104 LEU H . 11570 1 574 . 1 1 52 52 LEU HA H 1 4.2980 0.006 . 1 . . . A 104 LEU HA . 11570 1 575 . 1 1 52 52 LEU HB2 H 1 1.8320 0.006 . 1 . . . A 104 LEU HB2 . 11570 1 576 . 1 1 52 52 LEU HB3 H 1 1.5100 0.006 . 1 . . . A 104 LEU HB3 . 11570 1 577 . 1 1 52 52 LEU HG H 1 1.9110 0.006 . 1 . . . A 104 LEU HG . 11570 1 578 . 1 1 52 52 LEU HD11 H 1 0.8450 0.006 . 2 . . . A 104 LEU HD11 . 11570 1 579 . 1 1 52 52 LEU HD12 H 1 0.8450 0.006 . 2 . . . A 104 LEU HD12 . 11570 1 580 . 1 1 52 52 LEU HD13 H 1 0.8450 0.006 . 2 . . . A 104 LEU HD13 . 11570 1 581 . 1 1 52 52 LEU HD21 H 1 0.6330 0.006 . 2 . . . A 104 LEU HD21 . 11570 1 582 . 1 1 52 52 LEU HD22 H 1 0.6330 0.006 . 2 . . . A 104 LEU HD22 . 11570 1 583 . 1 1 52 52 LEU HD23 H 1 0.6330 0.006 . 2 . . . A 104 LEU HD23 . 11570 1 584 . 1 1 52 52 LEU C C 13 177.4760 0.250 . 1 . . . A 104 LEU C . 11570 1 585 . 1 1 52 52 LEU CA C 13 55.8060 0.250 . 1 . . . A 104 LEU CA . 11570 1 586 . 1 1 52 52 LEU CB C 13 42.5440 0.250 . 1 . . . A 104 LEU CB . 11570 1 587 . 1 1 52 52 LEU CG C 13 26.3700 0.250 . 1 . . . A 104 LEU CG . 11570 1 588 . 1 1 52 52 LEU CD1 C 13 25.7100 0.250 . 2 . . . A 104 LEU CD1 . 11570 1 589 . 1 1 52 52 LEU CD2 C 13 22.4200 0.250 . 2 . . . A 104 LEU CD2 . 11570 1 590 . 1 1 52 52 LEU N N 15 115.5300 0.250 . 1 . . . A 104 LEU N . 11570 1 591 . 1 1 53 53 SER H H 1 7.5180 0.006 . 1 . . . A 105 SER H . 11570 1 592 . 1 1 53 53 SER HA H 1 4.6000 0.006 . 1 . . . A 105 SER HA . 11570 1 593 . 1 1 53 53 SER HB2 H 1 3.8470 0.006 . 2 . . . A 105 SER HB2 . 11570 1 594 . 1 1 53 53 SER HB3 H 1 3.6450 0.006 . 2 . . . A 105 SER HB3 . 11570 1 595 . 1 1 53 53 SER C C 13 173.2730 0.250 . 1 . . . A 105 SER C . 11570 1 596 . 1 1 53 53 SER CA C 13 59.4230 0.250 . 1 . . . A 105 SER CA . 11570 1 597 . 1 1 53 53 SER CB C 13 66.0130 0.250 . 1 . . . A 105 SER CB . 11570 1 598 . 1 1 53 53 SER N N 15 110.4480 0.250 . 1 . . . A 105 SER N . 11570 1 599 . 1 1 54 54 GLY H H 1 7.3550 0.006 . 1 . . . A 106 GLY H . 11570 1 600 . 1 1 54 54 GLY HA2 H 1 3.8800 0.006 . 2 . . . A 106 GLY HA2 . 11570 1 601 . 1 1 54 54 GLY HA3 H 1 3.8010 0.006 . 2 . . . A 106 GLY HA3 . 11570 1 602 . 1 1 54 54 GLY C C 13 169.7710 0.250 . 1 . . . A 106 GLY C . 11570 1 603 . 1 1 54 54 GLY CA C 13 46.5100 0.250 . 1 . . . A 106 GLY CA . 11570 1 604 . 1 1 54 54 GLY N N 15 107.1860 0.250 . 1 . . . A 106 GLY N . 11570 1 605 . 1 1 55 55 ALA H H 1 7.9810 0.006 . 1 . . . A 107 ALA H . 11570 1 606 . 1 1 55 55 ALA HA H 1 4.5280 0.006 . 1 . . . A 107 ALA HA . 11570 1 607 . 1 1 55 55 ALA HB1 H 1 1.2020 0.006 . 1 . . . A 107 ALA HB1 . 11570 1 608 . 1 1 55 55 ALA HB2 H 1 1.2020 0.006 . 1 . . . A 107 ALA HB2 . 11570 1 609 . 1 1 55 55 ALA HB3 H 1 1.2020 0.006 . 1 . . . A 107 ALA HB3 . 11570 1 610 . 1 1 55 55 ALA C C 13 174.9980 0.250 . 1 . . . A 107 ALA C . 11570 1 611 . 1 1 55 55 ALA CA C 13 49.5310 0.250 . 1 . . . A 107 ALA CA . 11570 1 612 . 1 1 55 55 ALA CB C 13 22.2600 0.250 . 1 . . . A 107 ALA CB . 11570 1 613 . 1 1 55 55 ALA N N 15 123.4440 0.250 . 1 . . . A 107 ALA N . 11570 1 614 . 1 1 56 56 ALA H H 1 9.0130 0.006 . 1 . . . A 108 ALA H . 11570 1 615 . 1 1 56 56 ALA HA H 1 5.4100 0.006 . 1 . . . A 108 ALA HA . 11570 1 616 . 1 1 56 56 ALA HB1 H 1 1.0600 0.006 . 1 . . . A 108 ALA HB1 . 11570 1 617 . 1 1 56 56 ALA HB2 H 1 1.0600 0.006 . 1 . . . A 108 ALA HB2 . 11570 1 618 . 1 1 56 56 ALA HB3 H 1 1.0600 0.006 . 1 . . . A 108 ALA HB3 . 11570 1 619 . 1 1 56 56 ALA C C 13 177.3380 0.250 . 1 . . . A 108 ALA C . 11570 1 620 . 1 1 56 56 ALA CA C 13 49.5640 0.250 . 1 . . . A 108 ALA CA . 11570 1 621 . 1 1 56 56 ALA CB C 13 23.0800 0.250 . 1 . . . A 108 ALA CB . 11570 1 622 . 1 1 56 56 ALA N N 15 124.3870 0.250 . 1 . . . A 108 ALA N . 11570 1 623 . 1 1 57 57 THR H H 1 8.2530 0.006 . 1 . . . A 109 THR H . 11570 1 624 . 1 1 57 57 THR HA H 1 4.2160 0.006 . 1 . . . A 109 THR HA . 11570 1 625 . 1 1 57 57 THR HB H 1 4.0160 0.006 . 1 . . . A 109 THR HB . 11570 1 626 . 1 1 57 57 THR HG21 H 1 1.0680 0.006 . 1 . . . A 109 THR HG21 . 11570 1 627 . 1 1 57 57 THR HG22 H 1 1.0680 0.006 . 1 . . . A 109 THR HG22 . 11570 1 628 . 1 1 57 57 THR HG23 H 1 1.0680 0.006 . 1 . . . A 109 THR HG23 . 11570 1 629 . 1 1 57 57 THR C C 13 174.8180 0.250 . 1 . . . A 109 THR C . 11570 1 630 . 1 1 57 57 THR CA C 13 61.8420 0.250 . 1 . . . A 109 THR CA . 11570 1 631 . 1 1 57 57 THR CB C 13 69.0730 0.250 . 1 . . . A 109 THR CB . 11570 1 632 . 1 1 57 57 THR CG2 C 13 23.3300 0.250 . 1 . . . A 109 THR CG2 . 11570 1 633 . 1 1 57 57 THR N N 15 111.7760 0.250 . 1 . . . A 109 THR N . 11570 1 634 . 1 1 58 58 VAL H H 1 6.9950 0.006 . 1 . . . A 110 VAL H . 11570 1 635 . 1 1 58 58 VAL HA H 1 3.8740 0.006 . 1 . . . A 110 VAL HA . 11570 1 636 . 1 1 58 58 VAL HB H 1 1.5400 0.006 . 1 . . . A 110 VAL HB . 11570 1 637 . 1 1 58 58 VAL HG11 H 1 0.7000 0.006 . 2 . . . A 110 VAL HG11 . 11570 1 638 . 1 1 58 58 VAL HG12 H 1 0.7000 0.006 . 2 . . . A 110 VAL HG12 . 11570 1 639 . 1 1 58 58 VAL HG13 H 1 0.7000 0.006 . 2 . . . A 110 VAL HG13 . 11570 1 640 . 1 1 58 58 VAL HG21 H 1 0.7880 0.006 . 2 . . . A 110 VAL HG21 . 11570 1 641 . 1 1 58 58 VAL HG22 H 1 0.7880 0.006 . 2 . . . A 110 VAL HG22 . 11570 1 642 . 1 1 58 58 VAL HG23 H 1 0.7880 0.006 . 2 . . . A 110 VAL HG23 . 11570 1 643 . 1 1 58 58 VAL C C 13 175.7690 0.250 . 1 . . . A 110 VAL C . 11570 1 644 . 1 1 58 58 VAL CA C 13 63.9390 0.250 . 1 . . . A 110 VAL CA . 11570 1 645 . 1 1 58 58 VAL CB C 13 33.6500 0.250 . 1 . . . A 110 VAL CB . 11570 1 646 . 1 1 58 58 VAL CG1 C 13 22.9600 0.250 . 1 . . . A 110 VAL CG1 . 11570 1 647 . 1 1 58 58 VAL CG2 C 13 22.0800 0.250 . 1 . . . A 110 VAL CG2 . 11570 1 648 . 1 1 58 58 VAL N N 15 119.1770 0.250 . 1 . . . A 110 VAL N . 11570 1 649 . 1 1 59 59 LYS H H 1 7.5030 0.006 . 1 . . . A 111 LYS H . 11570 1 650 . 1 1 59 59 LYS HA H 1 4.6550 0.006 . 1 . . . A 111 LYS HA . 11570 1 651 . 1 1 59 59 LYS HB2 H 1 1.9200 0.006 . 2 . . . A 111 LYS HB2 . 11570 1 652 . 1 1 59 59 LYS HB3 H 1 1.8370 0.006 . 2 . . . A 111 LYS HB3 . 11570 1 653 . 1 1 59 59 LYS HG2 H 1 1.5890 0.006 . 2 . . . A 111 LYS HG2 . 11570 1 654 . 1 1 59 59 LYS HG3 H 1 1.1040 0.006 . 2 . . . A 111 LYS HG3 . 11570 1 655 . 1 1 59 59 LYS HD2 H 1 1.5380 0.006 . 2 . . . A 111 LYS HD2 . 11570 1 656 . 1 1 59 59 LYS HD3 H 1 1.7820 0.006 . 2 . . . A 111 LYS HD3 . 11570 1 657 . 1 1 59 59 LYS HE2 H 1 3.1430 0.006 . 1 . . . A 111 LYS HE2 . 11570 1 658 . 1 1 59 59 LYS HE3 H 1 2.8180 0.006 . 1 . . . A 111 LYS HE3 . 11570 1 659 . 1 1 59 59 LYS C C 13 176.6460 0.250 . 1 . . . A 111 LYS C . 11570 1 660 . 1 1 59 59 LYS CA C 13 54.4500 0.250 . 1 . . . A 111 LYS CA . 11570 1 661 . 1 1 59 59 LYS CB C 13 33.2200 0.250 . 1 . . . A 111 LYS CB . 11570 1 662 . 1 1 59 59 LYS CG C 13 24.6400 0.250 . 1 . . . A 111 LYS CG . 11570 1 663 . 1 1 59 59 LYS CD C 13 28.2000 0.250 . 1 . . . A 111 LYS CD . 11570 1 664 . 1 1 59 59 LYS CE C 13 42.2800 0.250 . 1 . . . A 111 LYS CE . 11570 1 665 . 1 1 59 59 LYS N N 15 116.9180 0.250 . 1 . . . A 111 LYS N . 11570 1 666 . 1 1 60 60 GLU H H 1 8.7280 0.006 . 1 . . . A 112 GLU H . 11570 1 667 . 1 1 60 60 GLU HA H 1 4.0640 0.006 . 1 . . . A 112 GLU HA . 11570 1 668 . 1 1 60 60 GLU HB2 H 1 1.9530 0.006 . 2 . . . A 112 GLU HB2 . 11570 1 669 . 1 1 60 60 GLU HB3 H 1 1.8850 0.006 . 2 . . . A 112 GLU HB3 . 11570 1 670 . 1 1 60 60 GLU HG2 H 1 2.2340 0.006 . 2 . . . A 112 GLU HG2 . 11570 1 671 . 1 1 60 60 GLU HG3 H 1 2.2730 0.006 . 2 . . . A 112 GLU HG3 . 11570 1 672 . 1 1 60 60 GLU C C 13 176.7250 0.250 . 1 . . . A 112 GLU C . 11570 1 673 . 1 1 60 60 GLU CA C 13 57.4030 0.250 . 1 . . . A 112 GLU CA . 11570 1 674 . 1 1 60 60 GLU CB C 13 30.2600 0.250 . 1 . . . A 112 GLU CB . 11570 1 675 . 1 1 60 60 GLU CG C 13 36.2700 0.250 . 1 . . . A 112 GLU CG . 11570 1 676 . 1 1 60 60 GLU N N 15 121.2740 0.250 . 1 . . . A 112 GLU N . 11570 1 677 . 1 1 61 61 ASN H H 1 8.6380 0.006 . 1 . . . A 113 ASN H . 11570 1 678 . 1 1 61 61 ASN HA H 1 4.5700 0.006 . 1 . . . A 113 ASN HA . 11570 1 679 . 1 1 61 61 ASN HB2 H 1 2.8400 0.006 . 2 . . . A 113 ASN HB2 . 11570 1 680 . 1 1 61 61 ASN HB3 H 1 2.7900 0.006 . 2 . . . A 113 ASN HB3 . 11570 1 681 . 1 1 61 61 ASN HD21 H 1 7.6000 0.006 . 1 . . . A 113 ASN HD21 . 11570 1 682 . 1 1 61 61 ASN HD22 H 1 6.9090 0.006 . 1 . . . A 113 ASN HD22 . 11570 1 683 . 1 1 61 61 ASN C C 13 174.6520 0.250 . 1 . . . A 113 ASN C . 11570 1 684 . 1 1 61 61 ASN CA C 13 53.2300 0.250 . 1 . . . A 113 ASN CA . 11570 1 685 . 1 1 61 61 ASN CB C 13 37.4700 0.250 . 1 . . . A 113 ASN CB . 11570 1 686 . 1 1 61 61 ASN CG C 13 177.9660 0.250 . 1 . . . A 113 ASN CG . 11570 1 687 . 1 1 61 61 ASN N N 15 115.2890 0.250 . 1 . . . A 113 ASN N . 11570 1 688 . 1 1 61 61 ASN ND2 N 15 113.7810 0.250 . 1 . . . A 113 ASN ND2 . 11570 1 689 . 1 1 62 62 GLN H H 1 7.7890 0.006 . 1 . . . A 114 GLN H . 11570 1 690 . 1 1 62 62 GLN HA H 1 4.3330 0.006 . 1 . . . A 114 GLN HA . 11570 1 691 . 1 1 62 62 GLN HB2 H 1 2.0180 0.006 . 2 . . . A 114 GLN HB2 . 11570 1 692 . 1 1 62 62 GLN HB3 H 1 1.7740 0.006 . 2 . . . A 114 GLN HB3 . 11570 1 693 . 1 1 62 62 GLN HG2 H 1 2.2750 0.006 . 2 . . . A 114 GLN HG2 . 11570 1 694 . 1 1 62 62 GLN HG3 H 1 2.2300 0.006 . 2 . . . A 114 GLN HG3 . 11570 1 695 . 1 1 62 62 GLN HE21 H 1 7.7520 0.006 . 1 . . . A 114 GLN HE21 . 11570 1 696 . 1 1 62 62 GLN C C 13 175.5150 0.250 . 1 . . . A 114 GLN C . 11570 1 697 . 1 1 62 62 GLN CA C 13 55.9510 0.250 . 1 . . . A 114 GLN CA . 11570 1 698 . 1 1 62 62 GLN CB C 13 30.3200 0.250 . 1 . . . A 114 GLN CB . 11570 1 699 . 1 1 62 62 GLN CG C 13 34.3400 0.250 . 1 . . . A 114 GLN CG . 11570 1 700 . 1 1 62 62 GLN N N 15 116.5280 0.250 . 1 . . . A 114 GLN N . 11570 1 701 . 1 1 62 62 GLN NE2 N 15 107.6820 0.250 . 1 . . . A 114 GLN NE2 . 11570 1 702 . 1 1 63 63 VAL H H 1 9.4230 0.006 . 1 . . . A 115 VAL H . 11570 1 703 . 1 1 63 63 VAL HA H 1 4.2850 0.006 . 1 . . . A 115 VAL HA . 11570 1 704 . 1 1 63 63 VAL HB H 1 1.8320 0.006 . 1 . . . A 115 VAL HB . 11570 1 705 . 1 1 63 63 VAL HG11 H 1 0.8600 0.006 . 2 . . . A 115 VAL HG11 . 11570 1 706 . 1 1 63 63 VAL HG12 H 1 0.8600 0.006 . 2 . . . A 115 VAL HG12 . 11570 1 707 . 1 1 63 63 VAL HG13 H 1 0.8600 0.006 . 2 . . . A 115 VAL HG13 . 11570 1 708 . 1 1 63 63 VAL C C 13 174.6520 0.250 . 1 . . . A 115 VAL C . 11570 1 709 . 1 1 63 63 VAL CA C 13 61.2270 0.250 . 1 . . . A 115 VAL CA . 11570 1 710 . 1 1 63 63 VAL CB C 13 35.3570 0.250 . 1 . . . A 115 VAL CB . 11570 1 711 . 1 1 63 63 VAL CG2 C 13 20.8800 0.250 . 1 . . . A 115 VAL CG2 . 11570 1 712 . 1 1 63 63 VAL N N 15 125.5040 0.250 . 1 . . . A 115 VAL N . 11570 1 713 . 1 1 64 64 MET H H 1 8.6010 0.006 . 1 . . . A 116 MET H . 11570 1 714 . 1 1 64 64 MET HA H 1 2.6390 0.006 . 1 . . . A 116 MET HA . 11570 1 715 . 1 1 64 64 MET HB2 H 1 0.3350 0.006 . 1 . . . A 116 MET HB2 . 11570 1 716 . 1 1 64 64 MET HB3 H 1 1.2310 0.006 . 1 . . . A 116 MET HB3 . 11570 1 717 . 1 1 64 64 MET HG2 H 1 1.1730 0.006 . 1 . . . A 116 MET HG2 . 11570 1 718 . 1 1 64 64 MET HG3 H 1 2.3350 0.006 . 1 . . . A 116 MET HG3 . 11570 1 719 . 1 1 64 64 MET HE1 H 1 2.0050 0.006 . 1 . . . A 116 MET HE1 . 11570 1 720 . 1 1 64 64 MET HE2 H 1 2.0050 0.006 . 1 . . . A 116 MET HE2 . 11570 1 721 . 1 1 64 64 MET HE3 H 1 2.0050 0.006 . 1 . . . A 116 MET HE3 . 11570 1 722 . 1 1 64 64 MET C C 13 175.5150 0.250 . 1 . . . A 116 MET C . 11570 1 723 . 1 1 64 64 MET CA C 13 59.2840 0.250 . 1 . . . A 116 MET CA . 11570 1 724 . 1 1 64 64 MET CB C 13 31.3100 0.250 . 1 . . . A 116 MET CB . 11570 1 725 . 1 1 64 64 MET CG C 13 34.3400 0.250 . 1 . . . A 116 MET CG . 11570 1 726 . 1 1 64 64 MET CE C 13 17.9880 0.250 . 1 . . . A 116 MET CE . 11570 1 727 . 1 1 64 64 MET N N 15 126.3190 0.250 . 1 . . . A 116 MET N . 11570 1 728 . 1 1 65 65 GLY H H 1 5.8070 0.006 . 1 . . . A 117 GLY H . 11570 1 729 . 1 1 65 65 GLY HA2 H 1 3.7700 0.006 . 2 . . . A 117 GLY HA2 . 11570 1 730 . 1 1 65 65 GLY HA3 H 1 3.2270 0.006 . 2 . . . A 117 GLY HA3 . 11570 1 731 . 1 1 65 65 GLY C C 13 172.0300 0.250 . 1 . . . A 117 GLY C . 11570 1 732 . 1 1 65 65 GLY CA C 13 45.6100 0.250 . 1 . . . A 117 GLY CA . 11570 1 733 . 1 1 65 65 GLY N N 15 104.8650 0.250 . 1 . . . A 117 GLY N . 11570 1 734 . 1 1 66 66 LYS H H 1 7.6060 0.006 . 1 . . . A 118 LYS H . 11570 1 735 . 1 1 66 66 LYS HA H 1 4.8690 0.006 . 1 . . . A 118 LYS HA . 11570 1 736 . 1 1 66 66 LYS HB2 H 1 1.5990 0.006 . 2 . . . A 118 LYS HB2 . 11570 1 737 . 1 1 66 66 LYS HB3 H 1 1.5100 0.006 . 2 . . . A 118 LYS HB3 . 11570 1 738 . 1 1 66 66 LYS HG2 H 1 1.2550 0.006 . 2 . . . A 118 LYS HG2 . 11570 1 739 . 1 1 66 66 LYS HG3 H 1 1.1780 0.006 . 2 . . . A 118 LYS HG3 . 11570 1 740 . 1 1 66 66 LYS HD2 H 1 1.5820 0.006 . 2 . . . A 118 LYS HD2 . 11570 1 741 . 1 1 66 66 LYS HD3 H 1 1.6300 0.006 . 2 . . . A 118 LYS HD3 . 11570 1 742 . 1 1 66 66 LYS HE2 H 1 2.9250 0.006 . 1 . . . A 118 LYS HE2 . 11570 1 743 . 1 1 66 66 LYS HE3 H 1 2.8640 0.006 . 1 . . . A 118 LYS HE3 . 11570 1 744 . 1 1 66 66 LYS C C 13 177.0680 0.250 . 1 . . . A 118 LYS C . 11570 1 745 . 1 1 66 66 LYS CA C 13 53.6230 0.250 . 1 . . . A 118 LYS CA . 11570 1 746 . 1 1 66 66 LYS CB C 13 35.7400 0.250 . 1 . . . A 118 LYS CB . 11570 1 747 . 1 1 66 66 LYS CG C 13 24.2121 0.250 . 1 . . . A 118 LYS CG . 11570 1 748 . 1 1 66 66 LYS CD C 13 28.4800 0.250 . 1 . . . A 118 LYS CD . 11570 1 749 . 1 1 66 66 LYS CE C 13 41.8520 0.250 . 1 . . . A 118 LYS CE . 11570 1 750 . 1 1 66 66 LYS N N 15 117.2720 0.250 . 1 . . . A 118 LYS N . 11570 1 751 . 1 1 67 67 GLY H H 1 9.2120 0.006 . 1 . . . A 119 GLY H . 11570 1 752 . 1 1 67 67 GLY HA2 H 1 3.8110 0.006 . 2 . . . A 119 GLY HA2 . 11570 1 753 . 1 1 67 67 GLY HA3 H 1 3.7530 0.006 . 2 . . . A 119 GLY HA3 . 11570 1 754 . 1 1 67 67 GLY C C 13 172.3080 0.250 . 1 . . . A 119 GLY C . 11570 1 755 . 1 1 67 67 GLY CA C 13 45.5000 0.250 . 1 . . . A 119 GLY CA . 11570 1 756 . 1 1 67 67 GLY N N 15 112.5640 0.250 . 1 . . . A 119 GLY N . 11570 1 757 . 1 1 68 68 ASN H H 1 8.7130 0.006 . 1 . . . A 120 ASN H . 11570 1 758 . 1 1 68 68 ASN HA H 1 4.8140 0.006 . 1 . . . A 120 ASN HA . 11570 1 759 . 1 1 68 68 ASN HB2 H 1 3.0350 0.006 . 2 . . . A 120 ASN HB2 . 11570 1 760 . 1 1 68 68 ASN HB3 H 1 2.4200 0.006 . 2 . . . A 120 ASN HB3 . 11570 1 761 . 1 1 68 68 ASN HD21 H 1 6.6950 0.006 . 1 . . . A 120 ASN HD21 . 11570 1 762 . 1 1 68 68 ASN HD22 H 1 6.3790 0.006 . 1 . . . A 120 ASN HD22 . 11570 1 763 . 1 1 68 68 ASN C C 13 174.3090 0.250 . 1 . . . A 120 ASN C . 11570 1 764 . 1 1 68 68 ASN CA C 13 51.1790 0.250 . 1 . . . A 120 ASN CA . 11570 1 765 . 1 1 68 68 ASN CB C 13 36.8600 0.250 . 1 . . . A 120 ASN CB . 11570 1 766 . 1 1 68 68 ASN CG C 13 176.8940 0.250 . 1 . . . A 120 ASN CG . 11570 1 767 . 1 1 68 68 ASN N N 15 118.8750 0.250 . 1 . . . A 120 ASN N . 11570 1 768 . 1 1 68 68 ASN ND2 N 15 105.8750 0.250 . 1 . . . A 120 ASN ND2 . 11570 1 769 . 1 1 69 69 TYR H H 1 8.4610 0.006 . 1 . . . A 121 TYR H . 11570 1 770 . 1 1 69 69 TYR HA H 1 3.9140 0.006 . 1 . . . A 121 TYR HA . 11570 1 771 . 1 1 69 69 TYR HB2 H 1 3.0800 0.006 . 1 . . . A 121 TYR HB2 . 11570 1 772 . 1 1 69 69 TYR HB3 H 1 2.7390 0.006 . 1 . . . A 121 TYR HB3 . 11570 1 773 . 1 1 69 69 TYR HD2 H 1 6.7940 0.006 . 1 . . . A 121 TYR HD2 . 11570 1 774 . 1 1 69 69 TYR HE2 H 1 6.4170 0.006 . 1 . . . A 121 TYR HE2 . 11570 1 775 . 1 1 69 69 TYR C C 13 172.4110 0.250 . 1 . . . A 121 TYR C . 11570 1 776 . 1 1 69 69 TYR CA C 13 59.2500 0.250 . 1 . . . A 121 TYR CA . 11570 1 777 . 1 1 69 69 TYR CB C 13 38.1700 0.250 . 1 . . . A 121 TYR CB . 11570 1 778 . 1 1 69 69 TYR CD2 C 13 133.5460 0.250 . 1 . . . A 121 TYR CD2 . 11570 1 779 . 1 1 69 69 TYR CE2 C 13 117.9550 0.250 . 1 . . . A 121 TYR CE2 . 11570 1 780 . 1 1 69 69 TYR N N 15 129.2840 0.250 . 1 . . . A 121 TYR N . 11570 1 781 . 1 1 70 70 ALA H H 1 6.6480 0.006 . 1 . . . A 122 ALA H . 11570 1 782 . 1 1 70 70 ALA HA H 1 5.4580 0.006 . 1 . . . A 122 ALA HA . 11570 1 783 . 1 1 70 70 ALA HB1 H 1 1.0200 0.006 . 1 . . . A 122 ALA HB1 . 11570 1 784 . 1 1 70 70 ALA HB2 H 1 1.0200 0.006 . 1 . . . A 122 ALA HB2 . 11570 1 785 . 1 1 70 70 ALA HB3 H 1 1.0200 0.006 . 1 . . . A 122 ALA HB3 . 11570 1 786 . 1 1 70 70 ALA C C 13 177.2420 0.250 . 1 . . . A 122 ALA C . 11570 1 787 . 1 1 70 70 ALA CA C 13 50.4260 0.250 . 1 . . . A 122 ALA CA . 11570 1 788 . 1 1 70 70 ALA CB C 13 20.8340 0.250 . 1 . . . A 122 ALA CB . 11570 1 789 . 1 1 70 70 ALA N N 15 128.8580 0.250 . 1 . . . A 122 ALA N . 11570 1 790 . 1 1 71 71 LEU H H 1 9.3760 0.006 . 1 . . . A 123 LEU H . 11570 1 791 . 1 1 71 71 LEU HA H 1 5.1030 0.006 . 1 . . . A 123 LEU HA . 11570 1 792 . 1 1 71 71 LEU HB2 H 1 1.8340 0.006 . 1 . . . A 123 LEU HB2 . 11570 1 793 . 1 1 71 71 LEU HB3 H 1 1.2080 0.006 . 1 . . . A 123 LEU HB3 . 11570 1 794 . 1 1 71 71 LEU HG H 1 1.4210 0.006 . 1 . . . A 123 LEU HG . 11570 1 795 . 1 1 71 71 LEU HD11 H 1 0.7840 0.006 . 2 . . . A 123 LEU HD11 . 11570 1 796 . 1 1 71 71 LEU HD12 H 1 0.7840 0.006 . 2 . . . A 123 LEU HD12 . 11570 1 797 . 1 1 71 71 LEU HD13 H 1 0.7840 0.006 . 2 . . . A 123 LEU HD13 . 11570 1 798 . 1 1 71 71 LEU HD21 H 1 0.8680 0.006 . 2 . . . A 123 LEU HD21 . 11570 1 799 . 1 1 71 71 LEU HD22 H 1 0.8680 0.006 . 2 . . . A 123 LEU HD22 . 11570 1 800 . 1 1 71 71 LEU HD23 H 1 0.8680 0.006 . 2 . . . A 123 LEU HD23 . 11570 1 801 . 1 1 71 71 LEU C C 13 173.9610 0.250 . 1 . . . A 123 LEU C . 11570 1 802 . 1 1 71 71 LEU CA C 13 52.9810 0.250 . 1 . . . A 123 LEU CA . 11570 1 803 . 1 1 71 71 LEU CB C 13 48.2290 0.250 . 1 . . . A 123 LEU CB . 11570 1 804 . 1 1 71 71 LEU CG C 13 26.5400 0.250 . 1 . . . A 123 LEU CG . 11570 1 805 . 1 1 71 71 LEU CD1 C 13 25.4900 0.250 . 2 . . . A 123 LEU CD1 . 11570 1 806 . 1 1 71 71 LEU CD2 C 13 27.0800 0.250 . 2 . . . A 123 LEU CD2 . 11570 1 807 . 1 1 71 71 LEU N N 15 124.6940 0.250 . 1 . . . A 123 LEU N . 11570 1 808 . 1 1 72 72 ALA H H 1 9.2350 0.006 . 1 . . . A 124 ALA H . 11570 1 809 . 1 1 72 72 ALA HA H 1 5.6300 0.006 . 1 . . . A 124 ALA HA . 11570 1 810 . 1 1 72 72 ALA HB1 H 1 1.1190 0.006 . 1 . . . A 124 ALA HB1 . 11570 1 811 . 1 1 72 72 ALA HB2 H 1 1.1190 0.006 . 1 . . . A 124 ALA HB2 . 11570 1 812 . 1 1 72 72 ALA HB3 H 1 1.1190 0.006 . 1 . . . A 124 ALA HB3 . 11570 1 813 . 1 1 72 72 ALA C C 13 175.1610 0.250 . 1 . . . A 124 ALA C . 11570 1 814 . 1 1 72 72 ALA CA C 13 49.0870 0.250 . 1 . . . A 124 ALA CA . 11570 1 815 . 1 1 72 72 ALA CB C 13 23.2800 0.250 . 1 . . . A 124 ALA CB . 11570 1 816 . 1 1 72 72 ALA N N 15 123.2750 0.250 . 1 . . . A 124 ALA N . 11570 1 817 . 1 1 73 73 GLY H H 1 7.6930 0.006 . 1 . . . A 125 GLY H . 11570 1 818 . 1 1 73 73 GLY HA2 H 1 4.1750 0.006 . 2 . . . A 125 GLY HA2 . 11570 1 819 . 1 1 73 73 GLY HA3 H 1 2.3680 0.006 . 2 . . . A 125 GLY HA3 . 11570 1 820 . 1 1 73 73 GLY C C 13 173.1620 0.250 . 1 . . . A 125 GLY C . 11570 1 821 . 1 1 73 73 GLY CA C 13 43.6755 0.250 . 1 . . . A 125 GLY CA . 11570 1 822 . 1 1 73 73 GLY N N 15 103.7410 0.250 . 1 . . . A 125 GLY N . 11570 1 823 . 1 1 74 74 HIS HA H 1 4.6350 0.006 . 1 . . . A 126 HIS HA . 11570 1 824 . 1 1 74 74 HIS HB2 H 1 2.8400 0.006 . 1 . . . A 126 HIS HB2 . 11570 1 825 . 1 1 74 74 HIS HB3 H 1 2.8870 0.006 . 1 . . . A 126 HIS HB3 . 11570 1 826 . 1 1 74 74 HIS HE1 H 1 7.7100 0.006 . 1 . . . A 126 HIS HE1 . 11570 1 827 . 1 1 74 74 HIS CA C 13 56.7760 0.250 . 1 . . . A 126 HIS CA . 11570 1 828 . 1 1 74 74 HIS CB C 13 33.4500 0.250 . 1 . . . A 126 HIS CB . 11570 1 829 . 1 1 76 76 MET H H 1 7.8890 0.006 . 1 . . . A 128 MET H . 11570 1 830 . 1 1 76 76 MET HA H 1 4.7220 0.006 . 1 . . . A 128 MET HA . 11570 1 831 . 1 1 76 76 MET HB2 H 1 1.4750 0.006 . 1 . . . A 128 MET HB2 . 11570 1 832 . 1 1 76 76 MET HB3 H 1 2.2760 0.006 . 1 . . . A 128 MET HB3 . 11570 1 833 . 1 1 76 76 MET HG2 H 1 2.2920 0.006 . 1 . . . A 128 MET HG2 . 11570 1 834 . 1 1 76 76 MET HG3 H 1 2.6310 0.006 . 1 . . . A 128 MET HG3 . 11570 1 835 . 1 1 76 76 MET HE1 H 1 1.8220 0.006 . 1 . . . A 128 MET HE1 . 11570 1 836 . 1 1 76 76 MET HE2 H 1 1.8220 0.006 . 1 . . . A 128 MET HE2 . 11570 1 837 . 1 1 76 76 MET HE3 H 1 1.8220 0.006 . 1 . . . A 128 MET HE3 . 11570 1 838 . 1 1 76 76 MET C C 13 175.8150 0.250 . 1 . . . A 128 MET C . 11570 1 839 . 1 1 76 76 MET CA C 13 52.4810 0.250 . 1 . . . A 128 MET CA . 11570 1 840 . 1 1 76 76 MET CB C 13 31.8500 0.250 . 1 . . . A 128 MET CB . 11570 1 841 . 1 1 76 76 MET CG C 13 32.6820 0.250 . 1 . . . A 128 MET CG . 11570 1 842 . 1 1 76 76 MET CE C 13 16.2850 0.250 . 1 . . . A 128 MET CE . 11570 1 843 . 1 1 76 76 MET N N 15 121.5140 0.250 . 1 . . . A 128 MET N . 11570 1 844 . 1 1 77 77 SER H H 1 9.0170 0.006 . 1 . . . A 129 SER H . 11570 1 845 . 1 1 77 77 SER HA H 1 4.2320 0.006 . 1 . . . A 129 SER HA . 11570 1 846 . 1 1 77 77 SER HB2 H 1 3.9010 0.006 . 2 . . . A 129 SER HB2 . 11570 1 847 . 1 1 77 77 SER HB3 H 1 4.1360 0.006 . 2 . . . A 129 SER HB3 . 11570 1 848 . 1 1 77 77 SER C C 13 172.9770 0.250 . 1 . . . A 129 SER C . 11570 1 849 . 1 1 77 77 SER CA C 13 58.8900 0.250 . 1 . . . A 129 SER CA . 11570 1 850 . 1 1 77 77 SER CB C 13 61.5610 0.250 . 1 . . . A 129 SER CB . 11570 1 851 . 1 1 77 77 SER N N 15 112.8510 0.250 . 1 . . . A 129 SER N . 11570 1 852 . 1 1 78 78 LYS H H 1 7.1110 0.006 . 1 . . . A 130 LYS H . 11570 1 853 . 1 1 78 78 LYS HA H 1 4.4900 0.006 . 1 . . . A 130 LYS HA . 11570 1 854 . 1 1 78 78 LYS HB2 H 1 1.3160 0.006 . 2 . . . A 130 LYS HB2 . 11570 1 855 . 1 1 78 78 LYS HB3 H 1 1.5520 0.006 . 2 . . . A 130 LYS HB3 . 11570 1 856 . 1 1 78 78 LYS HG2 H 1 1.3230 0.006 . 2 . . . A 130 LYS HG2 . 11570 1 857 . 1 1 78 78 LYS C C 13 173.6700 0.250 . 1 . . . A 130 LYS C . 11570 1 858 . 1 1 78 78 LYS CA C 13 54.5750 0.250 . 1 . . . A 130 LYS CA . 11570 1 859 . 1 1 78 78 LYS CB C 13 36.0200 0.250 . 1 . . . A 130 LYS CB . 11570 1 860 . 1 1 78 78 LYS CG C 13 24.7400 0.250 . 1 . . . A 130 LYS CG . 11570 1 861 . 1 1 78 78 LYS CD C 13 29.0200 0.250 . 1 . . . A 130 LYS CD . 11570 1 862 . 1 1 78 78 LYS CE C 13 41.8500 0.250 . 1 . . . A 130 LYS CE . 11570 1 863 . 1 1 78 78 LYS N N 15 116.7730 0.250 . 1 . . . A 130 LYS N . 11570 1 864 . 1 1 79 79 LYS H H 1 8.1820 0.006 . 1 . . . A 131 LYS H . 11570 1 865 . 1 1 79 79 LYS HA H 1 4.5240 0.006 . 1 . . . A 131 LYS HA . 11570 1 866 . 1 1 79 79 LYS HB2 H 1 1.6390 0.006 . 2 . . . A 131 LYS HB2 . 11570 1 867 . 1 1 79 79 LYS HB3 H 1 1.7210 0.006 . 2 . . . A 131 LYS HB3 . 11570 1 868 . 1 1 79 79 LYS HG3 H 1 1.3200 0.006 . 2 . . . A 131 LYS HG3 . 11570 1 869 . 1 1 79 79 LYS HD3 H 1 1.4940 0.006 . 2 . . . A 131 LYS HD3 . 11570 1 870 . 1 1 79 79 LYS C C 13 178.5840 0.250 . 1 . . . A 131 LYS C . 11570 1 871 . 1 1 79 79 LYS CA C 13 57.2000 0.250 . 1 . . . A 131 LYS CA . 11570 1 872 . 1 1 79 79 LYS CB C 13 32.3500 0.250 . 1 . . . A 131 LYS CB . 11570 1 873 . 1 1 79 79 LYS CG C 13 24.5800 0.250 . 1 . . . A 131 LYS CG . 11570 1 874 . 1 1 79 79 LYS N N 15 125.6100 0.250 . 1 . . . A 131 LYS N . 11570 1 875 . 1 1 80 80 GLY H H 1 10.0670 0.006 . 1 . . . A 132 GLY H . 11570 1 876 . 1 1 80 80 GLY HA3 H 1 4.0210 0.006 . 2 . . . A 132 GLY HA3 . 11570 1 877 . 1 1 80 80 GLY C C 13 174.6530 0.250 . 1 . . . A 132 GLY C . 11570 1 878 . 1 1 80 80 GLY CA C 13 45.3600 0.250 . 1 . . . A 132 GLY CA . 11570 1 879 . 1 1 80 80 GLY N N 15 115.1910 0.250 . 1 . . . A 132 GLY N . 11570 1 880 . 1 1 81 81 VAL H H 1 7.8070 0.006 . 1 . . . A 133 VAL H . 11570 1 881 . 1 1 81 81 VAL HA H 1 4.2780 0.006 . 1 . . . A 133 VAL HA . 11570 1 882 . 1 1 81 81 VAL HB H 1 2.0290 0.006 . 1 . . . A 133 VAL HB . 11570 1 883 . 1 1 81 81 VAL HG11 H 1 0.7860 0.006 . 2 . . . A 133 VAL HG11 . 11570 1 884 . 1 1 81 81 VAL HG12 H 1 0.7860 0.006 . 2 . . . A 133 VAL HG12 . 11570 1 885 . 1 1 81 81 VAL HG13 H 1 0.7860 0.006 . 2 . . . A 133 VAL HG13 . 11570 1 886 . 1 1 81 81 VAL HG21 H 1 0.9230 0.006 . 2 . . . A 133 VAL HG21 . 11570 1 887 . 1 1 81 81 VAL HG22 H 1 0.9230 0.006 . 2 . . . A 133 VAL HG22 . 11570 1 888 . 1 1 81 81 VAL HG23 H 1 0.9230 0.006 . 2 . . . A 133 VAL HG23 . 11570 1 889 . 1 1 81 81 VAL C C 13 176.0350 0.250 . 1 . . . A 133 VAL C . 11570 1 890 . 1 1 81 81 VAL CA C 13 61.6540 0.250 . 1 . . . A 133 VAL CA . 11570 1 891 . 1 1 81 81 VAL CB C 13 32.6000 0.250 . 1 . . . A 133 VAL CB . 11570 1 892 . 1 1 81 81 VAL CG1 C 13 21.2000 0.250 . 1 . . . A 133 VAL CG1 . 11570 1 893 . 1 1 81 81 VAL CG2 C 13 21.9630 0.250 . 1 . . . A 133 VAL CG2 . 11570 1 894 . 1 1 81 81 VAL N N 15 119.3930 0.250 . 1 . . . A 133 VAL N . 11570 1 895 . 1 1 82 82 LEU H H 1 9.9710 0.006 . 1 . . . A 134 LEU H . 11570 1 896 . 1 1 82 82 LEU HA H 1 3.7690 0.006 . 1 . . . A 134 LEU HA . 11570 1 897 . 1 1 82 82 LEU HB2 H 1 2.0040 0.006 . 1 . . . A 134 LEU HB2 . 11570 1 898 . 1 1 82 82 LEU HB3 H 1 1.6730 0.006 . 1 . . . A 134 LEU HB3 . 11570 1 899 . 1 1 82 82 LEU HG H 1 1.1350 0.006 . 1 . . . A 134 LEU HG . 11570 1 900 . 1 1 82 82 LEU HD11 H 1 0.7730 0.006 . 2 . . . A 134 LEU HD11 . 11570 1 901 . 1 1 82 82 LEU HD12 H 1 0.7730 0.006 . 2 . . . A 134 LEU HD12 . 11570 1 902 . 1 1 82 82 LEU HD13 H 1 0.7730 0.006 . 2 . . . A 134 LEU HD13 . 11570 1 903 . 1 1 82 82 LEU HD21 H 1 1.7670 0.006 . 2 . . . A 134 LEU HD21 . 11570 1 904 . 1 1 82 82 LEU HD22 H 1 1.7670 0.006 . 2 . . . A 134 LEU HD22 . 11570 1 905 . 1 1 82 82 LEU HD23 H 1 1.7670 0.006 . 2 . . . A 134 LEU HD23 . 11570 1 906 . 1 1 82 82 LEU C C 13 175.6920 0.250 . 1 . . . A 134 LEU C . 11570 1 907 . 1 1 82 82 LEU CA C 13 57.2770 0.250 . 1 . . . A 134 LEU CA . 11570 1 908 . 1 1 82 82 LEU CB C 13 38.6500 0.250 . 1 . . . A 134 LEU CB . 11570 1 909 . 1 1 82 82 LEU CG C 13 26.4610 0.250 . 1 . . . A 134 LEU CG . 11570 1 910 . 1 1 82 82 LEU CD1 C 13 20.8600 0.250 . 2 . . . A 134 LEU CD1 . 11570 1 911 . 1 1 82 82 LEU CD2 C 13 27.3030 0.250 . 2 . . . A 134 LEU CD2 . 11570 1 912 . 1 1 82 82 LEU N N 15 129.8100 0.250 . 1 . . . A 134 LEU N . 11570 1 913 . 1 1 83 83 PHE H H 1 8.9100 0.006 . 1 . . . A 135 PHE H . 11570 1 914 . 1 1 83 83 PHE HA H 1 5.0490 0.006 . 1 . . . A 135 PHE HA . 11570 1 915 . 1 1 83 83 PHE HB2 H 1 2.8040 0.006 . 1 . . . A 135 PHE HB2 . 11570 1 916 . 1 1 83 83 PHE HB3 H 1 3.6770 0.006 . 1 . . . A 135 PHE HB3 . 11570 1 917 . 1 1 83 83 PHE HD1 H 1 6.9760 0.006 . 1 . . . A 135 PHE HD1 . 11570 1 918 . 1 1 83 83 PHE HE1 H 1 6.9760 0.006 . 1 . . . A 135 PHE HE1 . 11570 1 919 . 1 1 83 83 PHE HZ H 1 6.7700 0.006 . 1 . . . A 135 PHE HZ . 11570 1 920 . 1 1 83 83 PHE C C 13 175.8570 0.250 . 1 . . . A 135 PHE C . 11570 1 921 . 1 1 83 83 PHE CA C 13 54.2710 0.250 . 1 . . . A 135 PHE CA . 11570 1 922 . 1 1 83 83 PHE CB C 13 35.9800 0.250 . 1 . . . A 135 PHE CB . 11570 1 923 . 1 1 83 83 PHE CD1 C 13 129.7000 0.250 . 1 . . . A 135 PHE CD1 . 11570 1 924 . 1 1 83 83 PHE CE1 C 13 129.7000 0.250 . 1 . . . A 135 PHE CE1 . 11570 1 925 . 1 1 83 83 PHE CZ C 13 128.3900 0.250 . 1 . . . A 135 PHE CZ . 11570 1 926 . 1 1 83 83 PHE N N 15 122.7520 0.250 . 1 . . . A 135 PHE N . 11570 1 927 . 1 1 84 84 SER H H 1 8.4680 0.006 . 1 . . . A 136 SER H . 11570 1 928 . 1 1 84 84 SER HA H 1 4.5300 0.006 . 1 . . . A 136 SER HA . 11570 1 929 . 1 1 84 84 SER HB2 H 1 3.8960 0.006 . 2 . . . A 136 SER HB2 . 11570 1 930 . 1 1 84 84 SER HB3 H 1 3.7530 0.006 . 2 . . . A 136 SER HB3 . 11570 1 931 . 1 1 84 84 SER C C 13 174.7760 0.250 . 1 . . . A 136 SER C . 11570 1 932 . 1 1 84 84 SER CA C 13 62.5580 0.250 . 1 . . . A 136 SER CA . 11570 1 933 . 1 1 84 84 SER CB C 13 64.3250 0.250 . 1 . . . A 136 SER CB . 11570 1 934 . 1 1 84 84 SER N N 15 114.4480 0.250 . 1 . . . A 136 SER N . 11570 1 935 . 1 1 85 85 ASP H H 1 9.5970 0.006 . 1 . . . A 137 ASP H . 11570 1 936 . 1 1 85 85 ASP HA H 1 4.9350 0.006 . 1 . . . A 137 ASP HA . 11570 1 937 . 1 1 85 85 ASP HB2 H 1 2.2060 0.006 . 2 . . . A 137 ASP HB2 . 11570 1 938 . 1 1 85 85 ASP HB3 H 1 2.8010 0.006 . 2 . . . A 137 ASP HB3 . 11570 1 939 . 1 1 85 85 ASP C C 13 178.2610 0.250 . 1 . . . A 137 ASP C . 11570 1 940 . 1 1 85 85 ASP CA C 13 54.2650 0.250 . 1 . . . A 137 ASP CA . 11570 1 941 . 1 1 85 85 ASP CB C 13 42.2200 0.250 . 1 . . . A 137 ASP CB . 11570 1 942 . 1 1 85 85 ASP N N 15 115.9280 0.250 . 1 . . . A 137 ASP N . 11570 1 943 . 1 1 86 86 ILE H H 1 7.0020 0.006 . 1 . . . A 138 ILE H . 11570 1 944 . 1 1 86 86 ILE HA H 1 3.5610 0.006 . 1 . . . A 138 ILE HA . 11570 1 945 . 1 1 86 86 ILE HB H 1 1.5840 0.006 . 1 . . . A 138 ILE HB . 11570 1 946 . 1 1 86 86 ILE HG12 H 1 1.3610 0.006 . 1 . . . A 138 ILE HG12 . 11570 1 947 . 1 1 86 86 ILE HG13 H 1 0.8980 0.006 . 1 . . . A 138 ILE HG13 . 11570 1 948 . 1 1 86 86 ILE HG21 H 1 0.2160 0.006 . 1 . . . A 138 ILE HG21 . 11570 1 949 . 1 1 86 86 ILE HG22 H 1 0.2160 0.006 . 1 . . . A 138 ILE HG22 . 11570 1 950 . 1 1 86 86 ILE HG23 H 1 0.2160 0.006 . 1 . . . A 138 ILE HG23 . 11570 1 951 . 1 1 86 86 ILE HD11 H 1 0.2770 0.006 . 1 . . . A 138 ILE HD11 . 11570 1 952 . 1 1 86 86 ILE HD12 H 1 0.2770 0.006 . 1 . . . A 138 ILE HD12 . 11570 1 953 . 1 1 86 86 ILE HD13 H 1 0.2770 0.006 . 1 . . . A 138 ILE HD13 . 11570 1 954 . 1 1 86 86 ILE C C 13 175.4460 0.250 . 1 . . . A 138 ILE C . 11570 1 955 . 1 1 86 86 ILE CA C 13 65.5750 0.250 . 1 . . . A 138 ILE CA . 11570 1 956 . 1 1 86 86 ILE CB C 13 37.4000 0.250 . 1 . . . A 138 ILE CB . 11570 1 957 . 1 1 86 86 ILE CG1 C 13 24.9200 0.250 . 1 . . . A 138 ILE CG1 . 11570 1 958 . 1 1 86 86 ILE CG2 C 13 17.1800 0.250 . 1 . . . A 138 ILE CG2 . 11570 1 959 . 1 1 86 86 ILE CD1 C 13 15.0100 0.250 . 1 . . . A 138 ILE CD1 . 11570 1 960 . 1 1 86 86 ILE N N 15 114.4040 0.250 . 1 . . . A 138 ILE N . 11570 1 961 . 1 1 87 87 ALA H H 1 8.1490 0.006 . 1 . . . A 139 ALA H . 11570 1 962 . 1 1 87 87 ALA HA H 1 3.6250 0.006 . 1 . . . A 139 ALA HA . 11570 1 963 . 1 1 87 87 ALA HB1 H 1 0.4220 0.006 . 1 . . . A 139 ALA HB1 . 11570 1 964 . 1 1 87 87 ALA HB2 H 1 0.4220 0.006 . 1 . . . A 139 ALA HB2 . 11570 1 965 . 1 1 87 87 ALA HB3 H 1 0.4220 0.006 . 1 . . . A 139 ALA HB3 . 11570 1 966 . 1 1 87 87 ALA C C 13 177.2320 0.250 . 1 . . . A 139 ALA C . 11570 1 967 . 1 1 87 87 ALA CA C 13 52.9620 0.250 . 1 . . . A 139 ALA CA . 11570 1 968 . 1 1 87 87 ALA CB C 13 16.1600 0.250 . 1 . . . A 139 ALA CB . 11570 1 969 . 1 1 87 87 ALA N N 15 120.6820 0.250 . 1 . . . A 139 ALA N . 11570 1 970 . 1 1 88 88 SER H H 1 7.5920 0.006 . 1 . . . A 140 SER H . 11570 1 971 . 1 1 88 88 SER HA H 1 4.2580 0.006 . 1 . . . A 140 SER HA . 11570 1 972 . 1 1 88 88 SER HB2 H 1 3.7790 0.006 . 2 . . . A 140 SER HB2 . 11570 1 973 . 1 1 88 88 SER HB3 H 1 3.8880 0.006 . 2 . . . A 140 SER HB3 . 11570 1 974 . 1 1 88 88 SER C C 13 174.3070 0.250 . 1 . . . A 140 SER C . 11570 1 975 . 1 1 88 88 SER CA C 13 58.5780 0.250 . 1 . . . A 140 SER CA . 11570 1 976 . 1 1 88 88 SER CB C 13 63.8550 0.250 . 1 . . . A 140 SER CB . 11570 1 977 . 1 1 88 88 SER N N 15 111.8570 0.250 . 1 . . . A 140 SER N . 11570 1 978 . 1 1 89 89 LEU H H 1 7.0850 0.006 . 1 . . . A 141 LEU H . 11570 1 979 . 1 1 89 89 LEU HA H 1 4.0680 0.006 . 1 . . . A 141 LEU HA . 11570 1 980 . 1 1 89 89 LEU HB2 H 1 1.2270 0.006 . 1 . . . A 141 LEU HB2 . 11570 1 981 . 1 1 89 89 LEU HB3 H 1 1.6820 0.006 . 1 . . . A 141 LEU HB3 . 11570 1 982 . 1 1 89 89 LEU HG H 1 1.6900 0.006 . 1 . . . A 141 LEU HG . 11570 1 983 . 1 1 89 89 LEU HD11 H 1 0.7400 0.006 . 2 . . . A 141 LEU HD11 . 11570 1 984 . 1 1 89 89 LEU HD12 H 1 0.7400 0.006 . 2 . . . A 141 LEU HD12 . 11570 1 985 . 1 1 89 89 LEU HD13 H 1 0.7400 0.006 . 2 . . . A 141 LEU HD13 . 11570 1 986 . 1 1 89 89 LEU HD21 H 1 0.7670 0.006 . 2 . . . A 141 LEU HD21 . 11570 1 987 . 1 1 89 89 LEU HD22 H 1 0.7670 0.006 . 2 . . . A 141 LEU HD22 . 11570 1 988 . 1 1 89 89 LEU HD23 H 1 0.7670 0.006 . 2 . . . A 141 LEU HD23 . 11570 1 989 . 1 1 89 89 LEU C C 13 174.6510 0.250 . 1 . . . A 141 LEU C . 11570 1 990 . 1 1 89 89 LEU CA C 13 55.4850 0.250 . 1 . . . A 141 LEU CA . 11570 1 991 . 1 1 89 89 LEU CB C 13 42.3700 0.250 . 1 . . . A 141 LEU CB . 11570 1 992 . 1 1 89 89 LEU CG C 13 27.6200 0.250 . 1 . . . A 141 LEU CG . 11570 1 993 . 1 1 89 89 LEU CD1 C 13 26.2300 0.250 . 2 . . . A 141 LEU CD1 . 11570 1 994 . 1 1 89 89 LEU CD2 C 13 24.2500 0.250 . 2 . . . A 141 LEU CD2 . 11570 1 995 . 1 1 89 89 LEU N N 15 122.1510 0.250 . 1 . . . A 141 LEU N . 11570 1 996 . 1 1 90 90 LYS H H 1 8.7260 0.006 . 1 . . . A 142 LYS H . 11570 1 997 . 1 1 90 90 LYS HA H 1 4.4310 0.006 . 1 . . . A 142 LYS HA . 11570 1 998 . 1 1 90 90 LYS HB3 H 1 1.6420 0.006 . 2 . . . A 142 LYS HB3 . 11570 1 999 . 1 1 90 90 LYS HG2 H 1 1.3970 0.006 . 2 . . . A 142 LYS HG2 . 11570 1 1000 . 1 1 90 90 LYS HG3 H 1 1.3350 0.006 . 2 . . . A 142 LYS HG3 . 11570 1 1001 . 1 1 90 90 LYS HD2 H 1 1.5970 0.006 . 2 . . . A 142 LYS HD2 . 11570 1 1002 . 1 1 90 90 LYS HE2 H 1 2.9820 0.006 . 2 . . . A 142 LYS HE2 . 11570 1 1003 . 1 1 90 90 LYS C C 13 175.5380 0.250 . 1 . . . A 142 LYS C . 11570 1 1004 . 1 1 90 90 LYS CA C 13 53.2573 0.250 . 1 . . . A 142 LYS CA . 11570 1 1005 . 1 1 90 90 LYS CB C 13 35.6730 0.250 . 1 . . . A 142 LYS CB . 11570 1 1006 . 1 1 90 90 LYS CG C 13 23.9600 0.250 . 1 . . . A 142 LYS CG . 11570 1 1007 . 1 1 90 90 LYS CD C 13 28.6900 0.250 . 1 . . . A 142 LYS CD . 11570 1 1008 . 1 1 90 90 LYS CE C 13 41.8060 0.250 . 1 . . . A 142 LYS CE . 11570 1 1009 . 1 1 90 90 LYS N N 15 118.6360 0.250 . 1 . . . A 142 LYS N . 11570 1 1010 . 1 1 91 91 LYS H H 1 8.2490 0.006 . 1 . . . A 143 LYS H . 11570 1 1011 . 1 1 91 91 LYS HA H 1 3.5660 0.006 . 1 . . . A 143 LYS HA . 11570 1 1012 . 1 1 91 91 LYS HB3 H 1 1.6200 0.006 . 2 . . . A 143 LYS HB3 . 11570 1 1013 . 1 1 91 91 LYS HG2 H 1 1.4550 0.006 . 2 . . . A 143 LYS HG2 . 11570 1 1014 . 1 1 91 91 LYS HG3 H 1 1.2140 0.006 . 2 . . . A 143 LYS HG3 . 11570 1 1015 . 1 1 91 91 LYS HD3 H 1 1.6790 0.006 . 2 . . . A 143 LYS HD3 . 11570 1 1016 . 1 1 91 91 LYS HE3 H 1 2.9820 0.006 . 1 . . . A 143 LYS HE3 . 11570 1 1017 . 1 1 91 91 LYS C C 13 177.5890 0.250 . 1 . . . A 143 LYS C . 11570 1 1018 . 1 1 91 91 LYS CA C 13 58.0850 0.250 . 1 . . . A 143 LYS CA . 11570 1 1019 . 1 1 91 91 LYS CB C 13 32.0900 0.250 . 1 . . . A 143 LYS CB . 11570 1 1020 . 1 1 91 91 LYS CG C 13 24.9400 0.250 . 1 . . . A 143 LYS CG . 11570 1 1021 . 1 1 91 91 LYS CD C 13 29.4400 0.250 . 1 . . . A 143 LYS CD . 11570 1 1022 . 1 1 91 91 LYS CE C 13 41.8300 0.250 . 1 . . . A 143 LYS CE . 11570 1 1023 . 1 1 91 91 LYS N N 15 119.5430 0.250 . 1 . . . A 143 LYS N . 11570 1 1024 . 1 1 92 92 GLY H H 1 9.2110 0.006 . 1 . . . A 144 GLY H . 11570 1 1025 . 1 1 92 92 GLY HA2 H 1 3.4390 0.006 . 2 . . . A 144 GLY HA2 . 11570 1 1026 . 1 1 92 92 GLY HA3 H 1 4.4120 0.006 . 2 . . . A 144 GLY HA3 . 11570 1 1027 . 1 1 92 92 GLY C C 13 174.4790 0.250 . 1 . . . A 144 GLY C . 11570 1 1028 . 1 1 92 92 GLY CA C 13 44.7100 0.250 . 1 . . . A 144 GLY CA . 11570 1 1029 . 1 1 92 92 GLY N N 15 115.1720 0.250 . 1 . . . A 144 GLY N . 11570 1 1030 . 1 1 93 93 ASP H H 1 8.2660 0.006 . 1 . . . A 145 ASP H . 11570 1 1031 . 1 1 93 93 ASP HA H 1 4.5460 0.006 . 1 . . . A 145 ASP HA . 11570 1 1032 . 1 1 93 93 ASP HB2 H 1 2.4240 0.006 . 2 . . . A 145 ASP HB2 . 11570 1 1033 . 1 1 93 93 ASP HB3 H 1 2.7030 0.006 . 2 . . . A 145 ASP HB3 . 11570 1 1034 . 1 1 93 93 ASP C C 13 175.6860 0.250 . 1 . . . A 145 ASP C . 11570 1 1035 . 1 1 93 93 ASP CA C 13 55.7230 0.250 . 1 . . . A 145 ASP CA . 11570 1 1036 . 1 1 93 93 ASP CB C 13 41.2500 0.250 . 1 . . . A 145 ASP CB . 11570 1 1037 . 1 1 93 93 ASP N N 15 122.4590 0.250 . 1 . . . A 145 ASP N . 11570 1 1038 . 1 1 94 94 LYS H H 1 8.0520 0.006 . 1 . . . A 146 LYS H . 11570 1 1039 . 1 1 94 94 LYS HA H 1 5.0180 0.006 . 1 . . . A 146 LYS HA . 11570 1 1040 . 1 1 94 94 LYS HB2 H 1 1.7540 0.006 . 2 . . . A 146 LYS HB2 . 11570 1 1041 . 1 1 94 94 LYS HB3 H 1 1.2540 0.006 . 2 . . . A 146 LYS HB3 . 11570 1 1042 . 1 1 94 94 LYS HG2 H 1 1.5150 0.006 . 2 . . . A 146 LYS HG2 . 11570 1 1043 . 1 1 94 94 LYS HG3 H 1 1.5920 0.006 . 2 . . . A 146 LYS HG3 . 11570 1 1044 . 1 1 94 94 LYS HD2 H 1 1.5900 0.006 . 2 . . . A 146 LYS HD2 . 11570 1 1045 . 1 1 94 94 LYS HD3 H 1 1.4680 0.006 . 2 . . . A 146 LYS HD3 . 11570 1 1046 . 1 1 94 94 LYS HE3 H 1 2.9400 0.006 . 1 . . . A 146 LYS HE3 . 11570 1 1047 . 1 1 94 94 LYS C C 13 176.3790 0.250 . 1 . . . A 146 LYS C . 11570 1 1048 . 1 1 94 94 LYS CA C 13 54.7000 0.250 . 1 . . . A 146 LYS CA . 11570 1 1049 . 1 1 94 94 LYS CB C 13 34.8100 0.250 . 1 . . . A 146 LYS CB . 11570 1 1050 . 1 1 94 94 LYS CG C 13 24.7950 0.250 . 1 . . . A 146 LYS CG . 11570 1 1051 . 1 1 94 94 LYS CD C 13 28.2000 0.250 . 1 . . . A 146 LYS CD . 11570 1 1052 . 1 1 94 94 LYS CE C 13 42.4000 0.250 . 1 . . . A 146 LYS CE . 11570 1 1053 . 1 1 94 94 LYS N N 15 117.8990 0.250 . 1 . . . A 146 LYS N . 11570 1 1054 . 1 1 95 95 ILE H H 1 8.4530 0.006 . 1 . . . A 147 ILE H . 11570 1 1055 . 1 1 95 95 ILE HA H 1 4.2890 0.006 . 1 . . . A 147 ILE HA . 11570 1 1056 . 1 1 95 95 ILE HB H 1 1.2800 0.006 . 1 . . . A 147 ILE HB . 11570 1 1057 . 1 1 95 95 ILE HG12 H 1 0.7060 0.006 . 1 . . . A 147 ILE HG12 . 11570 1 1058 . 1 1 95 95 ILE HG13 H 1 1.3660 0.006 . 1 . . . A 147 ILE HG13 . 11570 1 1059 . 1 1 95 95 ILE HG21 H 1 0.6820 0.006 . 1 . . . A 147 ILE HG21 . 11570 1 1060 . 1 1 95 95 ILE HG22 H 1 0.6820 0.006 . 1 . . . A 147 ILE HG22 . 11570 1 1061 . 1 1 95 95 ILE HG23 H 1 0.6820 0.006 . 1 . . . A 147 ILE HG23 . 11570 1 1062 . 1 1 95 95 ILE HD11 H 1 0.4050 0.006 . 1 . . . A 147 ILE HD11 . 11570 1 1063 . 1 1 95 95 ILE HD12 H 1 0.4050 0.006 . 1 . . . A 147 ILE HD12 . 11570 1 1064 . 1 1 95 95 ILE HD13 H 1 0.4050 0.006 . 1 . . . A 147 ILE HD13 . 11570 1 1065 . 1 1 95 95 ILE C C 13 173.2740 0.250 . 1 . . . A 147 ILE C . 11570 1 1066 . 1 1 95 95 ILE CA C 13 60.5400 0.250 . 1 . . . A 147 ILE CA . 11570 1 1067 . 1 1 95 95 ILE CB C 13 42.7100 0.250 . 1 . . . A 147 ILE CB . 11570 1 1068 . 1 1 95 95 ILE CG1 C 13 26.4500 0.250 . 1 . . . A 147 ILE CG1 . 11570 1 1069 . 1 1 95 95 ILE CG2 C 13 17.4600 0.250 . 1 . . . A 147 ILE CG2 . 11570 1 1070 . 1 1 95 95 ILE CD1 C 13 15.0700 0.250 . 1 . . . A 147 ILE CD1 . 11570 1 1071 . 1 1 95 95 ILE N N 15 120.6510 0.250 . 1 . . . A 147 ILE N . 11570 1 1072 . 1 1 96 96 TYR H H 1 9.2950 0.006 . 1 . . . A 148 TYR H . 11570 1 1073 . 1 1 96 96 TYR HA H 1 5.5900 0.006 . 1 . . . A 148 TYR HA . 11570 1 1074 . 1 1 96 96 TYR HB2 H 1 2.9350 0.006 . 2 . . . A 148 TYR HB2 . 11570 1 1075 . 1 1 96 96 TYR HB3 H 1 2.5220 0.006 . 2 . . . A 148 TYR HB3 . 11570 1 1076 . 1 1 96 96 TYR HD1 H 1 6.8220 0.006 . 3 . . . A 148 TYR HD1 . 11570 1 1077 . 1 1 96 96 TYR HE1 H 1 6.5650 0.006 . 3 . . . A 148 TYR HE1 . 11570 1 1078 . 1 1 96 96 TYR C C 13 174.8260 0.250 . 1 . . . A 148 TYR C . 11570 1 1079 . 1 1 96 96 TYR CA C 13 56.2370 0.250 . 1 . . . A 148 TYR CA . 11570 1 1080 . 1 1 96 96 TYR CB C 13 42.0500 0.250 . 1 . . . A 148 TYR CB . 11570 1 1081 . 1 1 96 96 TYR CD1 C 13 132.7700 0.250 . 1 . . . A 148 TYR CD1 . 11570 1 1082 . 1 1 96 96 TYR CE1 C 13 117.8400 0.250 . 1 . . . A 148 TYR CE1 . 11570 1 1083 . 1 1 96 96 TYR N N 15 124.5300 0.250 . 1 . . . A 148 TYR N . 11570 1 1084 . 1 1 97 97 LEU H H 1 9.1890 0.006 . 1 . . . A 149 LEU H . 11570 1 1085 . 1 1 97 97 LEU HA H 1 5.3950 0.006 . 1 . . . A 149 LEU HA . 11570 1 1086 . 1 1 97 97 LEU HB2 H 1 1.9270 0.006 . 1 . . . A 149 LEU HB2 . 11570 1 1087 . 1 1 97 97 LEU HB3 H 1 1.6400 0.006 . 1 . . . A 149 LEU HB3 . 11570 1 1088 . 1 1 97 97 LEU HG H 1 1.5940 0.006 . 1 . . . A 149 LEU HG . 11570 1 1089 . 1 1 97 97 LEU HD11 H 1 0.5230 0.006 . 2 . . . A 149 LEU HD11 . 11570 1 1090 . 1 1 97 97 LEU HD12 H 1 0.5230 0.006 . 2 . . . A 149 LEU HD12 . 11570 1 1091 . 1 1 97 97 LEU HD13 H 1 0.5230 0.006 . 2 . . . A 149 LEU HD13 . 11570 1 1092 . 1 1 97 97 LEU HD21 H 1 0.7150 0.006 . 2 . . . A 149 LEU HD21 . 11570 1 1093 . 1 1 97 97 LEU HD22 H 1 0.7150 0.006 . 2 . . . A 149 LEU HD22 . 11570 1 1094 . 1 1 97 97 LEU HD23 H 1 0.7150 0.006 . 2 . . . A 149 LEU HD23 . 11570 1 1095 . 1 1 97 97 LEU C C 13 175.1740 0.250 . 1 . . . A 149 LEU C . 11570 1 1096 . 1 1 97 97 LEU CA C 13 52.5320 0.250 . 1 . . . A 149 LEU CA . 11570 1 1097 . 1 1 97 97 LEU CB C 13 46.3300 0.250 . 1 . . . A 149 LEU CB . 11570 1 1098 . 1 1 97 97 LEU CG C 13 26.8620 0.250 . 1 . . . A 149 LEU CG . 11570 1 1099 . 1 1 97 97 LEU CD1 C 13 26.4300 0.250 . 2 . . . A 149 LEU CD1 . 11570 1 1100 . 1 1 97 97 LEU CD2 C 13 24.1800 0.250 . 2 . . . A 149 LEU CD2 . 11570 1 1101 . 1 1 97 97 LEU N N 15 121.9990 0.250 . 1 . . . A 149 LEU N . 11570 1 1102 . 1 1 98 98 TYR H H 1 8.8830 0.006 . 1 . . . A 150 TYR H . 11570 1 1103 . 1 1 98 98 TYR HA H 1 5.6220 0.006 . 1 . . . A 150 TYR HA . 11570 1 1104 . 1 1 98 98 TYR HB2 H 1 2.6760 0.006 . 2 . . . A 150 TYR HB2 . 11570 1 1105 . 1 1 98 98 TYR HB3 H 1 3.1450 0.006 . 2 . . . A 150 TYR HB3 . 11570 1 1106 . 1 1 98 98 TYR HD2 H 1 6.8950 0.006 . 3 . . . A 150 TYR HD2 . 11570 1 1107 . 1 1 98 98 TYR HE2 H 1 6.6620 0.006 . 3 . . . A 150 TYR HE2 . 11570 1 1108 . 1 1 98 98 TYR C C 13 176.3790 0.250 . 1 . . . A 150 TYR C . 11570 1 1109 . 1 1 98 98 TYR CA C 13 56.7000 0.250 . 1 . . . A 150 TYR CA . 11570 1 1110 . 1 1 98 98 TYR CB C 13 42.4500 0.250 . 1 . . . A 150 TYR CB . 11570 1 1111 . 1 1 98 98 TYR CD2 C 13 132.8800 0.250 . 1 . . . A 150 TYR CD2 . 11570 1 1112 . 1 1 98 98 TYR CE2 C 13 119.0000 0.250 . 1 . . . A 150 TYR CE2 . 11570 1 1113 . 1 1 98 98 TYR N N 15 117.9540 0.250 . 1 . . . A 150 TYR N . 11570 1 1114 . 1 1 99 99 ASP H H 1 8.1450 0.006 . 1 . . . A 151 ASP H . 11570 1 1115 . 1 1 99 99 ASP HA H 1 5.0200 0.006 . 1 . . . A 151 ASP HA . 11570 1 1116 . 1 1 99 99 ASP HB2 H 1 3.5600 0.006 . 2 . . . A 151 ASP HB2 . 11570 1 1117 . 1 1 99 99 ASP HB3 H 1 3.4290 0.006 . 2 . . . A 151 ASP HB3 . 11570 1 1118 . 1 1 99 99 ASP C C 13 176.7250 0.250 . 1 . . . A 151 ASP C . 11570 1 1119 . 1 1 99 99 ASP CA C 13 52.4500 0.250 . 1 . . . A 151 ASP CA . 11570 1 1120 . 1 1 99 99 ASP CB C 13 40.7500 0.250 . 1 . . . A 151 ASP CB . 11570 1 1121 . 1 1 99 99 ASP N N 15 122.1480 0.250 . 1 . . . A 151 ASP N . 11570 1 1122 . 1 1 100 100 ASN H H 1 8.4200 0.006 . 1 . . . A 152 ASN H . 11570 1 1123 . 1 1 100 100 ASN HA H 1 4.5500 0.006 . 1 . . . A 152 ASN HA . 11570 1 1124 . 1 1 100 100 ASN HB2 H 1 2.8840 0.006 . 2 . . . A 152 ASN HB2 . 11570 1 1125 . 1 1 100 100 ASN HB3 H 1 2.8580 0.006 . 2 . . . A 152 ASN HB3 . 11570 1 1126 . 1 1 100 100 ASN HD21 H 1 7.7030 0.006 . 1 . . . A 152 ASN HD21 . 11570 1 1127 . 1 1 100 100 ASN HD22 H 1 6.9780 0.006 . 1 . . . A 152 ASN HD22 . 11570 1 1128 . 1 1 100 100 ASN C C 13 175.5140 0.250 . 1 . . . A 152 ASN C . 11570 1 1129 . 1 1 100 100 ASN CA C 13 55.7040 0.250 . 1 . . . A 152 ASN CA . 11570 1 1130 . 1 1 100 100 ASN CB C 13 38.1700 0.250 . 1 . . . A 152 ASN CB . 11570 1 1131 . 1 1 100 100 ASN CG C 13 177.2400 0.250 . 1 . . . A 152 ASN CG . 11570 1 1132 . 1 1 100 100 ASN N N 15 114.9970 0.250 . 1 . . . A 152 ASN N . 11570 1 1133 . 1 1 100 100 ASN ND2 N 15 113.9240 0.250 . 1 . . . A 152 ASN ND2 . 11570 1 1134 . 1 1 101 101 GLU H H 1 8.3770 0.006 . 1 . . . A 153 GLU H . 11570 1 1135 . 1 1 101 101 GLU HA H 1 4.5210 0.006 . 1 . . . A 153 GLU HA . 11570 1 1136 . 1 1 101 101 GLU HB2 H 1 1.9850 0.006 . 2 . . . A 153 GLU HB2 . 11570 1 1137 . 1 1 101 101 GLU HB3 H 1 1.8910 0.006 . 2 . . . A 153 GLU HB3 . 11570 1 1138 . 1 1 101 101 GLU HG2 H 1 2.1240 0.006 . 2 . . . A 153 GLU HG2 . 11570 1 1139 . 1 1 101 101 GLU HG3 H 1 2.1440 0.006 . 2 . . . A 153 GLU HG3 . 11570 1 1140 . 1 1 101 101 GLU C C 13 175.6890 0.250 . 1 . . . A 153 GLU C . 11570 1 1141 . 1 1 101 101 GLU CA C 13 57.8000 0.250 . 1 . . . A 153 GLU CA . 11570 1 1142 . 1 1 101 101 GLU CB C 13 33.5900 0.250 . 1 . . . A 153 GLU CB . 11570 1 1143 . 1 1 101 101 GLU CG C 13 36.3100 0.250 . 1 . . . A 153 GLU CG . 11570 1 1144 . 1 1 101 101 GLU N N 15 116.8920 0.250 . 1 . . . A 153 GLU N . 11570 1 1145 . 1 1 102 102 ASN H H 1 9.2370 0.006 . 1 . . . A 154 ASN H . 11570 1 1146 . 1 1 102 102 ASN HA H 1 5.2870 0.006 . 1 . . . A 154 ASN HA . 11570 1 1147 . 1 1 102 102 ASN HB2 H 1 2.2400 0.006 . 2 . . . A 154 ASN HB2 . 11570 1 1148 . 1 1 102 102 ASN HB3 H 1 1.5020 0.006 . 2 . . . A 154 ASN HB3 . 11570 1 1149 . 1 1 102 102 ASN HD21 H 1 7.3390 0.006 . 1 . . . A 154 ASN HD21 . 11570 1 1150 . 1 1 102 102 ASN HD22 H 1 6.7810 0.006 . 1 . . . A 154 ASN HD22 . 11570 1 1151 . 1 1 102 102 ASN C C 13 172.2360 0.250 . 1 . . . A 154 ASN C . 11570 1 1152 . 1 1 102 102 ASN CA C 13 52.7000 0.250 . 1 . . . A 154 ASN CA . 11570 1 1153 . 1 1 102 102 ASN CB C 13 43.0700 0.250 . 1 . . . A 154 ASN CB . 11570 1 1154 . 1 1 102 102 ASN CG C 13 175.5170 0.250 . 1 . . . A 154 ASN CG . 11570 1 1155 . 1 1 102 102 ASN N N 15 119.1460 0.250 . 1 . . . A 154 ASN N . 11570 1 1156 . 1 1 102 102 ASN ND2 N 15 114.0350 0.250 . 1 . . . A 154 ASN ND2 . 11570 1 1157 . 1 1 103 103 GLU H H 1 8.6600 0.006 . 1 . . . A 155 GLU H . 11570 1 1158 . 1 1 103 103 GLU HA H 1 4.5100 0.006 . 1 . . . A 155 GLU HA . 11570 1 1159 . 1 1 103 103 GLU HB2 H 1 1.7910 0.006 . 2 . . . A 155 GLU HB2 . 11570 1 1160 . 1 1 103 103 GLU HB3 H 1 1.8260 0.006 . 2 . . . A 155 GLU HB3 . 11570 1 1161 . 1 1 103 103 GLU HG2 H 1 1.6750 0.006 . 2 . . . A 155 GLU HG2 . 11570 1 1162 . 1 1 103 103 GLU HG3 H 1 1.7050 0.006 . 2 . . . A 155 GLU HG3 . 11570 1 1163 . 1 1 103 103 GLU C C 13 174.4780 0.250 . 1 . . . A 155 GLU C . 11570 1 1164 . 1 1 103 103 GLU CA C 13 54.1800 0.250 . 1 . . . A 155 GLU CA . 11570 1 1165 . 1 1 103 103 GLU CB C 13 33.9600 0.250 . 1 . . . A 155 GLU CB . 11570 1 1166 . 1 1 103 103 GLU CG C 13 37.7400 0.250 . 1 . . . A 155 GLU CG . 11570 1 1167 . 1 1 103 103 GLU N N 15 118.3670 0.250 . 1 . . . A 155 GLU N . 11570 1 1168 . 1 1 104 104 TYR H H 1 9.5720 0.006 . 1 . . . A 156 TYR H . 11570 1 1169 . 1 1 104 104 TYR HA H 1 4.6880 0.006 . 1 . . . A 156 TYR HA . 11570 1 1170 . 1 1 104 104 TYR HB2 H 1 2.8300 0.006 . 2 . . . A 156 TYR HB2 . 11570 1 1171 . 1 1 104 104 TYR HB3 H 1 2.4510 0.006 . 2 . . . A 156 TYR HB3 . 11570 1 1172 . 1 1 104 104 TYR HD1 H 1 6.8000 0.006 . 3 . . . A 156 TYR HD1 . 11570 1 1173 . 1 1 104 104 TYR HE1 H 1 6.2670 0.006 . 3 . . . A 156 TYR HE1 . 11570 1 1174 . 1 1 104 104 TYR HE2 H 1 6.4870 0.006 . 3 . . . A 156 TYR HE2 . 11570 1 1175 . 1 1 104 104 TYR C C 13 173.2720 0.250 . 1 . . . A 156 TYR C . 11570 1 1176 . 1 1 104 104 TYR CA C 13 56.3240 0.250 . 1 . . . A 156 TYR CA . 11570 1 1177 . 1 1 104 104 TYR CB C 13 39.8300 0.250 . 1 . . . A 156 TYR CB . 11570 1 1178 . 1 1 104 104 TYR CD1 C 13 134.0400 0.250 . 1 . . . A 156 TYR CD1 . 11570 1 1179 . 1 1 104 104 TYR CE1 C 13 118.7200 0.250 . 1 . . . A 156 TYR CE1 . 11570 1 1180 . 1 1 104 104 TYR CE2 C 13 118.4240 0.250 . 1 . . . A 156 TYR CE2 . 11570 1 1181 . 1 1 104 104 TYR N N 15 129.0080 0.250 . 1 . . . A 156 TYR N . 11570 1 1182 . 1 1 105 105 GLU H H 1 8.7460 0.006 . 1 . . . A 157 GLU H . 11570 1 1183 . 1 1 105 105 GLU HA H 1 4.5340 0.006 . 1 . . . A 157 GLU HA . 11570 1 1184 . 1 1 105 105 GLU HB2 H 1 1.8350 0.006 . 2 . . . A 157 GLU HB2 . 11570 1 1185 . 1 1 105 105 GLU HB3 H 1 1.7940 0.006 . 2 . . . A 157 GLU HB3 . 11570 1 1186 . 1 1 105 105 GLU C C 13 173.6230 0.250 . 1 . . . A 157 GLU C . 11570 1 1187 . 1 1 105 105 GLU CA C 13 54.9750 0.250 . 1 . . . A 157 GLU CA . 11570 1 1188 . 1 1 105 105 GLU CB C 13 31.9700 0.250 . 1 . . . A 157 GLU CB . 11570 1 1189 . 1 1 105 105 GLU N N 15 125.4640 0.250 . 1 . . . A 157 GLU N . 11570 1 1190 . 1 1 106 106 TYR H H 1 9.4750 0.006 . 1 . . . A 158 TYR H . 11570 1 1191 . 1 1 106 106 TYR HA H 1 5.3220 0.006 . 1 . . . A 158 TYR HA . 11570 1 1192 . 1 1 106 106 TYR HB2 H 1 2.6290 0.006 . 2 . . . A 158 TYR HB2 . 11570 1 1193 . 1 1 106 106 TYR HB3 H 1 2.2020 0.006 . 2 . . . A 158 TYR HB3 . 11570 1 1194 . 1 1 106 106 TYR HD1 H 1 6.4900 0.006 . 3 . . . A 158 TYR HD1 . 11570 1 1195 . 1 1 106 106 TYR HE1 H 1 6.0610 0.006 . 3 . . . A 158 TYR HE1 . 11570 1 1196 . 1 1 106 106 TYR C C 13 174.3090 0.250 . 1 . . . A 158 TYR C . 11570 1 1197 . 1 1 106 106 TYR CA C 13 55.8830 0.250 . 1 . . . A 158 TYR CA . 11570 1 1198 . 1 1 106 106 TYR CB C 13 42.3250 0.250 . 1 . . . A 158 TYR CB . 11570 1 1199 . 1 1 106 106 TYR CD1 C 13 132.7600 0.250 . 1 . . . A 158 TYR CD1 . 11570 1 1200 . 1 1 106 106 TYR CE1 C 13 117.3070 0.250 . 1 . . . A 158 TYR CE1 . 11570 1 1201 . 1 1 106 106 TYR N N 15 125.8600 0.250 . 1 . . . A 158 TYR N . 11570 1 1202 . 1 1 107 107 ALA H H 1 8.8180 0.006 . 1 . . . A 159 ALA H . 11570 1 1203 . 1 1 107 107 ALA HA H 1 5.0610 0.006 . 1 . . . A 159 ALA HA . 11570 1 1204 . 1 1 107 107 ALA HB1 H 1 1.1520 0.006 . 1 . . . A 159 ALA HB1 . 11570 1 1205 . 1 1 107 107 ALA HB2 H 1 1.1520 0.006 . 1 . . . A 159 ALA HB2 . 11570 1 1206 . 1 1 107 107 ALA HB3 H 1 1.1520 0.006 . 1 . . . A 159 ALA HB3 . 11570 1 1207 . 1 1 107 107 ALA C C 13 176.7840 0.250 . 1 . . . A 159 ALA C . 11570 1 1208 . 1 1 107 107 ALA CA C 13 49.8810 0.250 . 1 . . . A 159 ALA CA . 11570 1 1209 . 1 1 107 107 ALA CB C 13 21.5300 0.250 . 1 . . . A 159 ALA CB . 11570 1 1210 . 1 1 107 107 ALA N N 15 122.7220 0.250 . 1 . . . A 159 ALA N . 11570 1 1211 . 1 1 108 108 VAL H H 1 9.1120 0.006 . 1 . . . A 160 VAL H . 11570 1 1212 . 1 1 108 108 VAL HA H 1 4.0490 0.006 . 1 . . . A 160 VAL HA . 11570 1 1213 . 1 1 108 108 VAL HB H 1 2.1590 0.006 . 1 . . . A 160 VAL HB . 11570 1 1214 . 1 1 108 108 VAL HG11 H 1 0.5860 0.006 . 2 . . . A 160 VAL HG11 . 11570 1 1215 . 1 1 108 108 VAL HG12 H 1 0.5860 0.006 . 2 . . . A 160 VAL HG12 . 11570 1 1216 . 1 1 108 108 VAL HG13 H 1 0.5860 0.006 . 2 . . . A 160 VAL HG13 . 11570 1 1217 . 1 1 108 108 VAL HG21 H 1 0.8020 0.006 . 2 . . . A 160 VAL HG21 . 11570 1 1218 . 1 1 108 108 VAL HG22 H 1 0.8020 0.006 . 2 . . . A 160 VAL HG22 . 11570 1 1219 . 1 1 108 108 VAL HG23 H 1 0.8020 0.006 . 2 . . . A 160 VAL HG23 . 11570 1 1220 . 1 1 108 108 VAL C C 13 177.8680 0.250 . 1 . . . A 160 VAL C . 11570 1 1221 . 1 1 108 108 VAL CA C 13 63.9540 0.250 . 1 . . . A 160 VAL CA . 11570 1 1222 . 1 1 108 108 VAL CB C 13 32.4300 0.250 . 1 . . . A 160 VAL CB . 11570 1 1223 . 1 1 108 108 VAL CG1 C 13 21.2800 0.250 . 1 . . . A 160 VAL CG1 . 11570 1 1224 . 1 1 108 108 VAL CG2 C 13 23.9400 0.250 . 1 . . . A 160 VAL CG2 . 11570 1 1225 . 1 1 108 108 VAL N N 15 122.4070 0.250 . 1 . . . A 160 VAL N . 11570 1 1226 . 1 1 109 109 THR H H 1 10.2540 0.006 . 1 . . . A 161 THR H . 11570 1 1227 . 1 1 109 109 THR HA H 1 4.4070 0.006 . 1 . . . A 161 THR HA . 11570 1 1228 . 1 1 109 109 THR HB H 1 4.1660 0.006 . 1 . . . A 161 THR HB . 11570 1 1229 . 1 1 109 109 THR HG21 H 1 1.2030 0.006 . 1 . . . A 161 THR HG21 . 11570 1 1230 . 1 1 109 109 THR HG22 H 1 1.2030 0.006 . 1 . . . A 161 THR HG22 . 11570 1 1231 . 1 1 109 109 THR HG23 H 1 1.2030 0.006 . 1 . . . A 161 THR HG23 . 11570 1 1232 . 1 1 109 109 THR C C 13 174.9980 0.250 . 1 . . . A 161 THR C . 11570 1 1233 . 1 1 109 109 THR CA C 13 61.8560 0.250 . 1 . . . A 161 THR CA . 11570 1 1234 . 1 1 109 109 THR CB C 13 69.4870 0.250 . 1 . . . A 161 THR CB . 11570 1 1235 . 1 1 109 109 THR CG2 C 13 22.2700 0.250 . 1 . . . A 161 THR CG2 . 11570 1 1236 . 1 1 109 109 THR N N 15 121.9360 0.250 . 1 . . . A 161 THR N . 11570 1 1237 . 1 1 110 110 GLY H H 1 7.3870 0.006 . 1 . . . A 162 GLY H . 11570 1 1238 . 1 1 110 110 GLY HA2 H 1 3.9060 0.006 . 2 . . . A 162 GLY HA2 . 11570 1 1239 . 1 1 110 110 GLY HA3 H 1 4.0700 0.006 . 2 . . . A 162 GLY HA3 . 11570 1 1240 . 1 1 110 110 GLY C C 13 169.8210 0.250 . 1 . . . A 162 GLY C . 11570 1 1241 . 1 1 110 110 GLY CA C 13 45.7700 0.250 . 1 . . . A 162 GLY CA . 11570 1 1242 . 1 1 110 110 GLY N N 15 110.0830 0.250 . 1 . . . A 162 GLY N . 11570 1 1243 . 1 1 111 111 VAL H H 1 8.0550 0.006 . 1 . . . A 163 VAL H . 11570 1 1244 . 1 1 111 111 VAL HA H 1 4.9700 0.006 . 1 . . . A 163 VAL HA . 11570 1 1245 . 1 1 111 111 VAL HB H 1 1.8450 0.006 . 1 . . . A 163 VAL HB . 11570 1 1246 . 1 1 111 111 VAL HG21 H 1 0.8280 0.006 . 2 . . . A 163 VAL HG21 . 11570 1 1247 . 1 1 111 111 VAL HG22 H 1 0.8280 0.006 . 2 . . . A 163 VAL HG22 . 11570 1 1248 . 1 1 111 111 VAL HG23 H 1 0.8280 0.006 . 2 . . . A 163 VAL HG23 . 11570 1 1249 . 1 1 111 111 VAL C C 13 175.5210 0.250 . 1 . . . A 163 VAL C . 11570 1 1250 . 1 1 111 111 VAL CA C 13 61.0930 0.250 . 1 . . . A 163 VAL CA . 11570 1 1251 . 1 1 111 111 VAL CB C 13 34.6000 0.250 . 1 . . . A 163 VAL CB . 11570 1 1252 . 1 1 111 111 VAL CG2 C 13 20.6080 0.250 . 1 . . . A 163 VAL CG2 . 11570 1 1253 . 1 1 111 111 VAL N N 15 120.1010 0.250 . 1 . . . A 163 VAL N . 11570 1 1254 . 1 1 112 112 SER H H 1 9.0730 0.006 . 1 . . . A 164 SER H . 11570 1 1255 . 1 1 112 112 SER HA H 1 4.8710 0.006 . 1 . . . A 164 SER HA . 11570 1 1256 . 1 1 112 112 SER HB2 H 1 3.7460 0.006 . 2 . . . A 164 SER HB2 . 11570 1 1257 . 1 1 112 112 SER HB3 H 1 3.6730 0.006 . 2 . . . A 164 SER HB3 . 11570 1 1258 . 1 1 112 112 SER C C 13 171.8890 0.250 . 1 . . . A 164 SER C . 11570 1 1259 . 1 1 112 112 SER CA C 13 56.9040 0.250 . 1 . . . A 164 SER CA . 11570 1 1260 . 1 1 112 112 SER CB C 13 66.0750 0.250 . 1 . . . A 164 SER CB . 11570 1 1261 . 1 1 112 112 SER N N 15 121.0700 0.250 . 1 . . . A 164 SER N . 11570 1 1262 . 1 1 113 113 GLU H H 1 8.3560 0.006 . 1 . . . A 165 GLU H . 11570 1 1263 . 1 1 113 113 GLU HA H 1 5.5330 0.006 . 1 . . . A 165 GLU HA . 11570 1 1264 . 1 1 113 113 GLU HB2 H 1 1.7860 0.006 . 2 . . . A 165 GLU HB2 . 11570 1 1265 . 1 1 113 113 GLU HG2 H 1 2.0460 0.006 . 2 . . . A 165 GLU HG2 . 11570 1 1266 . 1 1 113 113 GLU HG3 H 1 1.8290 0.006 . 2 . . . A 165 GLU HG3 . 11570 1 1267 . 1 1 113 113 GLU C C 13 176.7200 0.250 . 1 . . . A 165 GLU C . 11570 1 1268 . 1 1 113 113 GLU CA C 13 54.5240 0.250 . 1 . . . A 165 GLU CA . 11570 1 1269 . 1 1 113 113 GLU CB C 13 32.6590 0.250 . 1 . . . A 165 GLU CB . 11570 1 1270 . 1 1 113 113 GLU CG C 13 36.6900 0.250 . 1 . . . A 165 GLU CG . 11570 1 1271 . 1 1 113 113 GLU N N 15 120.3580 0.250 . 1 . . . A 165 GLU N . 11570 1 1272 . 1 1 114 114 VAL H H 1 8.9070 0.006 . 1 . . . A 166 VAL H . 11570 1 1273 . 1 1 114 114 VAL HA H 1 5.0240 0.006 . 1 . . . A 166 VAL HA . 11570 1 1274 . 1 1 114 114 VAL HB H 1 2.2720 0.006 . 1 . . . A 166 VAL HB . 11570 1 1275 . 1 1 114 114 VAL HG11 H 1 0.5930 0.006 . 2 . . . A 166 VAL HG11 . 11570 1 1276 . 1 1 114 114 VAL HG12 H 1 0.5930 0.006 . 2 . . . A 166 VAL HG12 . 11570 1 1277 . 1 1 114 114 VAL HG13 H 1 0.5930 0.006 . 2 . . . A 166 VAL HG13 . 11570 1 1278 . 1 1 114 114 VAL HG21 H 1 0.8290 0.006 . 2 . . . A 166 VAL HG21 . 11570 1 1279 . 1 1 114 114 VAL HG22 H 1 0.8290 0.006 . 2 . . . A 166 VAL HG22 . 11570 1 1280 . 1 1 114 114 VAL HG23 H 1 0.8290 0.006 . 2 . . . A 166 VAL HG23 . 11570 1 1281 . 1 1 114 114 VAL C C 13 175.2550 0.250 . 1 . . . A 166 VAL C . 11570 1 1282 . 1 1 114 114 VAL CA C 13 58.2480 0.250 . 1 . . . A 166 VAL CA . 11570 1 1283 . 1 1 114 114 VAL CB C 13 36.4030 0.250 . 1 . . . A 166 VAL CB . 11570 1 1284 . 1 1 114 114 VAL CG1 C 13 19.3300 0.250 . 1 . . . A 166 VAL CG1 . 11570 1 1285 . 1 1 114 114 VAL CG2 C 13 21.3000 0.250 . 1 . . . A 166 VAL CG2 . 11570 1 1286 . 1 1 114 114 VAL N N 15 116.1980 0.250 . 1 . . . A 166 VAL N . 11570 1 1287 . 1 1 115 115 THR H H 1 7.8540 0.006 . 1 . . . A 167 THR H . 11570 1 1288 . 1 1 115 115 THR HA H 1 4.6110 0.006 . 1 . . . A 167 THR HA . 11570 1 1289 . 1 1 115 115 THR HB H 1 4.5280 0.006 . 1 . . . A 167 THR HB . 11570 1 1290 . 1 1 115 115 THR HG21 H 1 1.3190 0.006 . 1 . . . A 167 THR HG21 . 11570 1 1291 . 1 1 115 115 THR HG22 H 1 1.3190 0.006 . 1 . . . A 167 THR HG22 . 11570 1 1292 . 1 1 115 115 THR HG23 H 1 1.3190 0.006 . 1 . . . A 167 THR HG23 . 11570 1 1293 . 1 1 115 115 THR CA C 13 60.4500 0.250 . 1 . . . A 167 THR CA . 11570 1 1294 . 1 1 115 115 THR CB C 13 67.2820 0.250 . 1 . . . A 167 THR CB . 11570 1 1295 . 1 1 115 115 THR CG2 C 13 22.8072 0.250 . 1 . . . A 167 THR CG2 . 11570 1 1296 . 1 1 115 115 THR N N 15 111.6250 0.250 . 1 . . . A 167 THR N . 11570 1 1297 . 1 1 116 116 PRO HA H 1 4.0110 0.006 . 1 . . . A 168 PRO HA . 11570 1 1298 . 1 1 116 116 PRO HB2 H 1 2.0600 0.006 . 2 . . . A 168 PRO HB2 . 11570 1 1299 . 1 1 116 116 PRO HB3 H 1 2.1450 0.006 . 2 . . . A 168 PRO HB3 . 11570 1 1300 . 1 1 116 116 PRO HG2 H 1 1.7260 0.006 . 2 . . . A 168 PRO HG2 . 11570 1 1301 . 1 1 116 116 PRO HG3 H 1 2.0700 0.006 . 2 . . . A 168 PRO HG3 . 11570 1 1302 . 1 1 116 116 PRO HD2 H 1 3.6730 0.006 . 2 . . . A 168 PRO HD2 . 11570 1 1303 . 1 1 116 116 PRO HD3 H 1 3.8260 0.006 . 2 . . . A 168 PRO HD3 . 11570 1 1304 . 1 1 116 116 PRO C C 13 174.3160 0.250 . 1 . . . A 168 PRO C . 11570 1 1305 . 1 1 116 116 PRO CA C 13 65.1210 0.250 . 1 . . . A 168 PRO CA . 11570 1 1306 . 1 1 116 116 PRO CB C 13 31.6600 0.250 . 1 . . . A 168 PRO CB . 11570 1 1307 . 1 1 116 116 PRO CG C 13 28.4000 0.250 . 1 . . . A 168 PRO CG . 11570 1 1308 . 1 1 116 116 PRO CD C 13 50.9400 0.250 . 1 . . . A 168 PRO CD . 11570 1 1309 . 1 1 117 117 ASP H H 1 8.4570 0.006 . 1 . . . A 169 ASP H . 11570 1 1310 . 1 1 117 117 ASP HA H 1 4.5880 0.006 . 1 . . . A 169 ASP HA . 11570 1 1311 . 1 1 117 117 ASP HB2 H 1 2.6090 0.006 . 2 . . . A 169 ASP HB2 . 11570 1 1312 . 1 1 117 117 ASP HB3 H 1 2.8280 0.006 . 2 . . . A 169 ASP HB3 . 11570 1 1313 . 1 1 117 117 ASP C C 13 177.3610 0.250 . 1 . . . A 169 ASP C . 11570 1 1314 . 1 1 117 117 ASP CA C 13 53.3300 0.250 . 1 . . . A 169 ASP CA . 11570 1 1315 . 1 1 117 117 ASP CB C 13 39.8300 0.250 . 1 . . . A 169 ASP CB . 11570 1 1316 . 1 1 117 117 ASP N N 15 112.2980 0.250 . 1 . . . A 169 ASP N . 11570 1 1317 . 1 1 118 118 LYS H H 1 7.4390 0.006 . 1 . . . A 170 LYS H . 11570 1 1318 . 1 1 118 118 LYS HA H 1 4.5660 0.006 . 1 . . . A 170 LYS HA . 11570 1 1319 . 1 1 118 118 LYS HB2 H 1 1.7910 0.006 . 2 . . . A 170 LYS HB2 . 11570 1 1320 . 1 1 118 118 LYS HB3 H 1 1.9490 0.006 . 2 . . . A 170 LYS HB3 . 11570 1 1321 . 1 1 118 118 LYS HG2 H 1 1.4530 0.006 . 2 . . . A 170 LYS HG2 . 11570 1 1322 . 1 1 118 118 LYS HD2 H 1 1.5330 0.006 . 2 . . . A 170 LYS HD2 . 11570 1 1323 . 1 1 118 118 LYS C C 13 175.1230 0.250 . 1 . . . A 170 LYS C . 11570 1 1324 . 1 1 118 118 LYS CA C 13 54.4250 0.250 . 1 . . . A 170 LYS CA . 11570 1 1325 . 1 1 118 118 LYS CB C 13 29.1000 0.250 . 1 . . . A 170 LYS CB . 11570 1 1326 . 1 1 118 118 LYS CG C 13 24.7100 0.250 . 1 . . . A 170 LYS CG . 11570 1 1327 . 1 1 118 118 LYS CD C 13 28.1400 0.250 . 1 . . . A 170 LYS CD . 11570 1 1328 . 1 1 118 118 LYS N N 15 123.5490 0.250 . 1 . . . A 170 LYS N . 11570 1 1329 . 1 1 119 119 TRP H H 1 8.2660 0.006 . 1 . . . A 171 TRP H . 11570 1 1330 . 1 1 119 119 TRP HA H 1 3.9060 0.006 . 1 . . . A 171 TRP HA . 11570 1 1331 . 1 1 119 119 TRP HB2 H 1 3.0820 0.006 . 2 . . . A 171 TRP HB2 . 11570 1 1332 . 1 1 119 119 TRP HB3 H 1 3.1840 0.006 . 2 . . . A 171 TRP HB3 . 11570 1 1333 . 1 1 119 119 TRP HD1 H 1 7.1800 0.006 . 1 . . . A 171 TRP HD1 . 11570 1 1334 . 1 1 119 119 TRP HE3 H 1 7.3640 0.006 . 1 . . . A 171 TRP HE3 . 11570 1 1335 . 1 1 119 119 TRP HZ2 H 1 7.3640 0.006 . 1 . . . A 171 TRP HZ2 . 11570 1 1336 . 1 1 119 119 TRP HZ3 H 1 6.8640 0.006 . 1 . . . A 171 TRP HZ3 . 11570 1 1337 . 1 1 119 119 TRP HH2 H 1 7.0460 0.006 . 1 . . . A 171 TRP HH2 . 11570 1 1338 . 1 1 119 119 TRP C C 13 175.7920 0.250 . 1 . . . A 171 TRP C . 11570 1 1339 . 1 1 119 119 TRP CA C 13 59.3930 0.250 . 1 . . . A 171 TRP CA . 11570 1 1340 . 1 1 119 119 TRP CB C 13 29.2990 0.250 . 1 . . . A 171 TRP CB . 11570 1 1341 . 1 1 119 119 TRP CD1 C 13 127.3100 0.250 . 1 . . . A 171 TRP CD1 . 11570 1 1342 . 1 1 119 119 TRP CE3 C 13 120.3600 0.250 . 1 . . . A 171 TRP CE3 . 11570 1 1343 . 1 1 119 119 TRP CZ2 C 13 114.8200 0.250 . 1 . . . A 171 TRP CZ2 . 11570 1 1344 . 1 1 119 119 TRP CZ3 C 13 121.3800 0.250 . 1 . . . A 171 TRP CZ3 . 11570 1 1345 . 1 1 119 119 TRP CH2 C 13 124.3500 0.250 . 1 . . . A 171 TRP CH2 . 11570 1 1346 . 1 1 119 119 TRP N N 15 124.9120 0.250 . 1 . . . A 171 TRP N . 11570 1 1347 . 1 1 120 120 GLU H H 1 8.9080 0.006 . 1 . . . A 172 GLU H . 11570 1 1348 . 1 1 120 120 GLU HA H 1 3.9910 0.006 . 1 . . . A 172 GLU HA . 11570 1 1349 . 1 1 120 120 GLU HB2 H 1 1.9500 0.006 . 2 . . . A 172 GLU HB2 . 11570 1 1350 . 1 1 120 120 GLU HB3 H 1 1.9900 0.006 . 2 . . . A 172 GLU HB3 . 11570 1 1351 . 1 1 120 120 GLU HG2 H 1 1.9600 0.006 . 2 . . . A 172 GLU HG2 . 11570 1 1352 . 1 1 120 120 GLU HG3 H 1 2.0630 0.006 . 2 . . . A 172 GLU HG3 . 11570 1 1353 . 1 1 120 120 GLU C C 13 178.5840 0.250 . 1 . . . A 172 GLU C . 11570 1 1354 . 1 1 120 120 GLU CA C 13 58.8100 0.250 . 1 . . . A 172 GLU CA . 11570 1 1355 . 1 1 120 120 GLU CB C 13 28.7000 0.250 . 1 . . . A 172 GLU CB . 11570 1 1356 . 1 1 120 120 GLU CG C 13 35.4500 0.250 . 1 . . . A 172 GLU CG . 11570 1 1357 . 1 1 120 120 GLU N N 15 115.0220 0.250 . 1 . . . A 172 GLU N . 11570 1 1358 . 1 1 121 121 VAL H H 1 7.3590 0.006 . 1 . . . A 173 VAL H . 11570 1 1359 . 1 1 121 121 VAL HA H 1 4.1510 0.006 . 1 . . . A 173 VAL HA . 11570 1 1360 . 1 1 121 121 VAL HB H 1 2.2100 0.006 . 1 . . . A 173 VAL HB . 11570 1 1361 . 1 1 121 121 VAL HG11 H 1 0.9320 0.006 . 2 . . . A 173 VAL HG11 . 11570 1 1362 . 1 1 121 121 VAL HG12 H 1 0.9320 0.006 . 2 . . . A 173 VAL HG12 . 11570 1 1363 . 1 1 121 121 VAL HG13 H 1 0.9320 0.006 . 2 . . . A 173 VAL HG13 . 11570 1 1364 . 1 1 121 121 VAL HG21 H 1 1.0180 0.006 . 2 . . . A 173 VAL HG21 . 11570 1 1365 . 1 1 121 121 VAL HG22 H 1 1.0180 0.006 . 2 . . . A 173 VAL HG22 . 11570 1 1366 . 1 1 121 121 VAL HG23 H 1 1.0180 0.006 . 2 . . . A 173 VAL HG23 . 11570 1 1367 . 1 1 121 121 VAL C C 13 176.8530 0.250 . 1 . . . A 173 VAL C . 11570 1 1368 . 1 1 121 121 VAL CA C 13 64.5300 0.250 . 1 . . . A 173 VAL CA . 11570 1 1369 . 1 1 121 121 VAL CB C 13 31.0900 0.250 . 1 . . . A 173 VAL CB . 11570 1 1370 . 1 1 121 121 VAL CG1 C 13 19.4800 0.250 . 1 . . . A 173 VAL CG1 . 11570 1 1371 . 1 1 121 121 VAL CG2 C 13 21.4400 0.250 . 1 . . . A 173 VAL CG2 . 11570 1 1372 . 1 1 121 121 VAL N N 15 114.5730 0.250 . 1 . . . A 173 VAL N . 11570 1 1373 . 1 1 122 122 VAL H H 1 7.5870 0.006 . 1 . . . A 174 VAL H . 11570 1 1374 . 1 1 122 122 VAL HA H 1 3.9890 0.006 . 1 . . . A 174 VAL HA . 11570 1 1375 . 1 1 122 122 VAL HB H 1 1.7120 0.006 . 1 . . . A 174 VAL HB . 11570 1 1376 . 1 1 122 122 VAL HG11 H 1 -0.1940 0.006 . 2 . . . A 174 VAL HG11 . 11570 1 1377 . 1 1 122 122 VAL HG12 H 1 -0.1940 0.006 . 2 . . . A 174 VAL HG12 . 11570 1 1378 . 1 1 122 122 VAL HG13 H 1 -0.1940 0.006 . 2 . . . A 174 VAL HG13 . 11570 1 1379 . 1 1 122 122 VAL HG21 H 1 0.4040 0.006 . 2 . . . A 174 VAL HG21 . 11570 1 1380 . 1 1 122 122 VAL HG22 H 1 0.4040 0.006 . 2 . . . A 174 VAL HG22 . 11570 1 1381 . 1 1 122 122 VAL HG23 H 1 0.4040 0.006 . 2 . . . A 174 VAL HG23 . 11570 1 1382 . 1 1 122 122 VAL C C 13 174.9790 0.250 . 1 . . . A 174 VAL C . 11570 1 1383 . 1 1 122 122 VAL CA C 13 60.7930 0.250 . 1 . . . A 174 VAL CA . 11570 1 1384 . 1 1 122 122 VAL CB C 13 31.2000 0.250 . 1 . . . A 174 VAL CB . 11570 1 1385 . 1 1 122 122 VAL CG1 C 13 16.8200 0.250 . 1 . . . A 174 VAL CG1 . 11570 1 1386 . 1 1 122 122 VAL CG2 C 13 22.9100 0.250 . 1 . . . A 174 VAL CG2 . 11570 1 1387 . 1 1 122 122 VAL N N 15 109.2300 0.250 . 1 . . . A 174 VAL N . 11570 1 1388 . 1 1 123 123 GLU H H 1 6.7750 0.006 . 1 . . . A 175 GLU H . 11570 1 1389 . 1 1 123 123 GLU HA H 1 3.8810 0.006 . 1 . . . A 175 GLU HA . 11570 1 1390 . 1 1 123 123 GLU HB2 H 1 1.9420 0.006 . 2 . . . A 175 GLU HB2 . 11570 1 1391 . 1 1 123 123 GLU HB3 H 1 1.8180 0.006 . 2 . . . A 175 GLU HB3 . 11570 1 1392 . 1 1 123 123 GLU HG2 H 1 2.3780 0.006 . 2 . . . A 175 GLU HG2 . 11570 1 1393 . 1 1 123 123 GLU HG3 H 1 2.1380 0.006 . 2 . . . A 175 GLU HG3 . 11570 1 1394 . 1 1 123 123 GLU C C 13 175.0010 0.250 . 1 . . . A 175 GLU C . 11570 1 1395 . 1 1 123 123 GLU CA C 13 55.7580 0.250 . 1 . . . A 175 GLU CA . 11570 1 1396 . 1 1 123 123 GLU CB C 13 30.6890 0.250 . 1 . . . A 175 GLU CB . 11570 1 1397 . 1 1 123 123 GLU CG C 13 37.0400 0.250 . 1 . . . A 175 GLU CG . 11570 1 1398 . 1 1 123 123 GLU N N 15 121.1300 0.250 . 1 . . . A 175 GLU N . 11570 1 1399 . 1 1 124 124 ASP H H 1 8.3340 0.006 . 1 . . . A 176 ASP H . 11570 1 1400 . 1 1 124 124 ASP HA H 1 4.3100 0.006 . 1 . . . A 176 ASP HA . 11570 1 1401 . 1 1 124 124 ASP HB2 H 1 2.8680 0.006 . 2 . . . A 176 ASP HB2 . 11570 1 1402 . 1 1 124 124 ASP HB3 H 1 2.4900 0.006 . 2 . . . A 176 ASP HB3 . 11570 1 1403 . 1 1 124 124 ASP C C 13 177.4110 0.250 . 1 . . . A 176 ASP C . 11570 1 1404 . 1 1 124 124 ASP CA C 13 55.7640 0.250 . 1 . . . A 176 ASP CA . 11570 1 1405 . 1 1 124 124 ASP CB C 13 40.5700 0.250 . 1 . . . A 176 ASP CB . 11570 1 1406 . 1 1 124 124 ASP N N 15 119.8960 0.250 . 1 . . . A 176 ASP N . 11570 1 1407 . 1 1 125 125 HIS H H 1 10.1640 0.006 . 1 . . . A 177 HIS H . 11570 1 1408 . 1 1 125 125 HIS HA H 1 5.0620 0.006 . 1 . . . A 177 HIS HA . 11570 1 1409 . 1 1 125 125 HIS HB2 H 1 2.8610 0.006 . 1 . . . A 177 HIS HB2 . 11570 1 1410 . 1 1 125 125 HIS HB3 H 1 3.5530 0.006 . 1 . . . A 177 HIS HB3 . 11570 1 1411 . 1 1 125 125 HIS HD2 H 1 7.1600 0.006 . 1 . . . A 177 HIS HD2 . 11570 1 1412 . 1 1 125 125 HIS HE1 H 1 8.2970 0.006 . 1 . . . A 177 HIS HE1 . 11570 1 1413 . 1 1 125 125 HIS C C 13 175.6880 0.250 . 1 . . . A 177 HIS C . 11570 1 1414 . 1 1 125 125 HIS CA C 13 54.1630 0.250 . 1 . . . A 177 HIS CA . 11570 1 1415 . 1 1 125 125 HIS CB C 13 29.7500 0.250 . 1 . . . A 177 HIS CB . 11570 1 1416 . 1 1 125 125 HIS CD2 C 13 119.2950 0.250 . 1 . . . A 177 HIS CD2 . 11570 1 1417 . 1 1 125 125 HIS CE1 C 13 135.0000 0.250 . 1 . . . A 177 HIS CE1 . 11570 1 1418 . 1 1 125 125 HIS N N 15 121.8740 0.250 . 1 . . . A 177 HIS N . 11570 1 1419 . 1 1 126 126 GLY H H 1 8.5190 0.006 . 1 . . . A 178 GLY H . 11570 1 1420 . 1 1 126 126 GLY HA2 H 1 3.6670 0.006 . 2 . . . A 178 GLY HA2 . 11570 1 1421 . 1 1 126 126 GLY HA3 H 1 4.1290 0.006 . 2 . . . A 178 GLY HA3 . 11570 1 1422 . 1 1 126 126 GLY C C 13 173.1010 0.250 . 1 . . . A 178 GLY C . 11570 1 1423 . 1 1 126 126 GLY CA C 13 45.8300 0.250 . 1 . . . A 178 GLY CA . 11570 1 1424 . 1 1 126 126 GLY N N 15 110.0360 0.250 . 1 . . . A 178 GLY N . 11570 1 1425 . 1 1 127 127 LYS H H 1 7.3180 0.006 . 1 . . . A 179 LYS H . 11570 1 1426 . 1 1 127 127 LYS HA H 1 4.6550 0.006 . 1 . . . A 179 LYS HA . 11570 1 1427 . 1 1 127 127 LYS HB2 H 1 1.7950 0.006 . 2 . . . A 179 LYS HB2 . 11570 1 1428 . 1 1 127 127 LYS HB3 H 1 1.6350 0.006 . 2 . . . A 179 LYS HB3 . 11570 1 1429 . 1 1 127 127 LYS HG2 H 1 1.1540 0.006 . 2 . . . A 179 LYS HG2 . 11570 1 1430 . 1 1 127 127 LYS HG3 H 1 0.9390 0.006 . 2 . . . A 179 LYS HG3 . 11570 1 1431 . 1 1 127 127 LYS HD3 H 1 1.5260 0.006 . 2 . . . A 179 LYS HD3 . 11570 1 1432 . 1 1 127 127 LYS HE2 H 1 2.7620 0.006 . 1 . . . A 179 LYS HE2 . 11570 1 1433 . 1 1 127 127 LYS C C 13 174.5920 0.250 . 1 . . . A 179 LYS C . 11570 1 1434 . 1 1 127 127 LYS CA C 13 54.0100 0.250 . 1 . . . A 179 LYS CA . 11570 1 1435 . 1 1 127 127 LYS CB C 13 35.1000 0.250 . 1 . . . A 179 LYS CB . 11570 1 1436 . 1 1 127 127 LYS CG C 13 23.6100 0.250 . 1 . . . A 179 LYS CG . 11570 1 1437 . 1 1 127 127 LYS CD C 13 29.1800 0.250 . 1 . . . A 179 LYS CD . 11570 1 1438 . 1 1 127 127 LYS CE C 13 41.7000 0.250 . 1 . . . A 179 LYS CE . 11570 1 1439 . 1 1 127 127 LYS N N 15 115.4860 0.250 . 1 . . . A 179 LYS N . 11570 1 1440 . 1 1 128 128 ASP H H 1 8.5350 0.006 . 1 . . . A 180 ASP H . 11570 1 1441 . 1 1 128 128 ASP HA H 1 5.3260 0.006 . 1 . . . A 180 ASP HA . 11570 1 1442 . 1 1 128 128 ASP HB2 H 1 2.5870 0.006 . 2 . . . A 180 ASP HB2 . 11570 1 1443 . 1 1 128 128 ASP HB3 H 1 2.4800 0.006 . 2 . . . A 180 ASP HB3 . 11570 1 1444 . 1 1 128 128 ASP C C 13 174.9380 0.250 . 1 . . . A 180 ASP C . 11570 1 1445 . 1 1 128 128 ASP CA C 13 53.9750 0.250 . 1 . . . A 180 ASP CA . 11570 1 1446 . 1 1 128 128 ASP CB C 13 41.4500 0.250 . 1 . . . A 180 ASP CB . 11570 1 1447 . 1 1 128 128 ASP N N 15 123.0160 0.250 . 1 . . . A 180 ASP N . 11570 1 1448 . 1 1 129 129 GLU H H 1 9.5540 0.006 . 1 . . . A 181 GLU H . 11570 1 1449 . 1 1 129 129 GLU HA H 1 5.4460 0.006 . 1 . . . A 181 GLU HA . 11570 1 1450 . 1 1 129 129 GLU HB2 H 1 2.0690 0.006 . 2 . . . A 181 GLU HB2 . 11570 1 1451 . 1 1 129 129 GLU HB3 H 1 1.9680 0.006 . 2 . . . A 181 GLU HB3 . 11570 1 1452 . 1 1 129 129 GLU HG2 H 1 2.2280 0.006 . 2 . . . A 181 GLU HG2 . 11570 1 1453 . 1 1 129 129 GLU C C 13 173.4460 0.250 . 1 . . . A 181 GLU C . 11570 1 1454 . 1 1 129 129 GLU CA C 13 55.2030 0.250 . 1 . . . A 181 GLU CA . 11570 1 1455 . 1 1 129 129 GLU CB C 13 35.5300 0.250 . 1 . . . A 181 GLU CB . 11570 1 1456 . 1 1 129 129 GLU CG C 13 35.4900 0.250 . 1 . . . A 181 GLU CG . 11570 1 1457 . 1 1 129 129 GLU N N 15 125.8910 0.250 . 1 . . . A 181 GLU N . 11570 1 1458 . 1 1 130 130 ILE H H 1 9.2450 0.006 . 1 . . . A 182 ILE H . 11570 1 1459 . 1 1 130 130 ILE HA H 1 5.0160 0.006 . 1 . . . A 182 ILE HA . 11570 1 1460 . 1 1 130 130 ILE HB H 1 0.0410 0.006 . 1 . . . A 182 ILE HB . 11570 1 1461 . 1 1 130 130 ILE HG12 H 1 1.8620 0.006 . 1 . . . A 182 ILE HG12 . 11570 1 1462 . 1 1 130 130 ILE HG13 H 1 0.6470 0.006 . 1 . . . A 182 ILE HG13 . 11570 1 1463 . 1 1 130 130 ILE HG21 H 1 0.1180 0.006 . 1 . . . A 182 ILE HG21 . 11570 1 1464 . 1 1 130 130 ILE HG22 H 1 0.1180 0.006 . 1 . . . A 182 ILE HG22 . 11570 1 1465 . 1 1 130 130 ILE HG23 H 1 0.1180 0.006 . 1 . . . A 182 ILE HG23 . 11570 1 1466 . 1 1 130 130 ILE HD11 H 1 0.3130 0.006 . 1 . . . A 182 ILE HD11 . 11570 1 1467 . 1 1 130 130 ILE HD12 H 1 0.3130 0.006 . 1 . . . A 182 ILE HD12 . 11570 1 1468 . 1 1 130 130 ILE HD13 H 1 0.3130 0.006 . 1 . . . A 182 ILE HD13 . 11570 1 1469 . 1 1 130 130 ILE C C 13 172.0610 0.250 . 1 . . . A 182 ILE C . 11570 1 1470 . 1 1 130 130 ILE CA C 13 58.2270 0.250 . 1 . . . A 182 ILE CA . 11570 1 1471 . 1 1 130 130 ILE CB C 13 40.4500 0.250 . 1 . . . A 182 ILE CB . 11570 1 1472 . 1 1 130 130 ILE CG1 C 13 28.1200 0.250 . 1 . . . A 182 ILE CG1 . 11570 1 1473 . 1 1 130 130 ILE CG2 C 13 16.3730 0.250 . 1 . . . A 182 ILE CG2 . 11570 1 1474 . 1 1 130 130 ILE CD1 C 13 15.8000 0.250 . 1 . . . A 182 ILE CD1 . 11570 1 1475 . 1 1 130 130 ILE N N 15 123.8010 0.250 . 1 . . . A 182 ILE N . 11570 1 1476 . 1 1 131 131 THR H H 1 7.7540 0.006 . 1 . . . A 183 THR H . 11570 1 1477 . 1 1 131 131 THR HA H 1 5.0700 0.006 . 1 . . . A 183 THR HA . 11570 1 1478 . 1 1 131 131 THR HB H 1 3.4140 0.006 . 1 . . . A 183 THR HB . 11570 1 1479 . 1 1 131 131 THR HG21 H 1 0.8770 0.006 . 1 . . . A 183 THR HG21 . 11570 1 1480 . 1 1 131 131 THR HG22 H 1 0.8770 0.006 . 1 . . . A 183 THR HG22 . 11570 1 1481 . 1 1 131 131 THR HG23 H 1 0.8770 0.006 . 1 . . . A 183 THR HG23 . 11570 1 1482 . 1 1 131 131 THR C C 13 172.9270 0.250 . 1 . . . A 183 THR C . 11570 1 1483 . 1 1 131 131 THR CA C 13 61.8250 0.250 . 1 . . . A 183 THR CA . 11570 1 1484 . 1 1 131 131 THR CB C 13 71.0450 0.250 . 1 . . . A 183 THR CB . 11570 1 1485 . 1 1 131 131 THR CG2 C 13 22.1200 0.250 . 1 . . . A 183 THR CG2 . 11570 1 1486 . 1 1 131 131 THR N N 15 121.5050 0.250 . 1 . . . A 183 THR N . 11570 1 1487 . 1 1 132 132 LEU H H 1 9.5780 0.006 . 1 . . . A 184 LEU H . 11570 1 1488 . 1 1 132 132 LEU HA H 1 5.3930 0.006 . 1 . . . A 184 LEU HA . 11570 1 1489 . 1 1 132 132 LEU HB2 H 1 0.9210 0.006 . 1 . . . A 184 LEU HB2 . 11570 1 1490 . 1 1 132 132 LEU HB3 H 1 1.5510 0.006 . 1 . . . A 184 LEU HB3 . 11570 1 1491 . 1 1 132 132 LEU HG H 1 1.3550 0.006 . 1 . . . A 184 LEU HG . 11570 1 1492 . 1 1 132 132 LEU HD11 H 1 0.3230 0.006 . 2 . . . A 184 LEU HD11 . 11570 1 1493 . 1 1 132 132 LEU HD12 H 1 0.3230 0.006 . 2 . . . A 184 LEU HD12 . 11570 1 1494 . 1 1 132 132 LEU HD13 H 1 0.3230 0.006 . 2 . . . A 184 LEU HD13 . 11570 1 1495 . 1 1 132 132 LEU HD21 H 1 0.5990 0.006 . 2 . . . A 184 LEU HD21 . 11570 1 1496 . 1 1 132 132 LEU HD22 H 1 0.5990 0.006 . 2 . . . A 184 LEU HD22 . 11570 1 1497 . 1 1 132 132 LEU HD23 H 1 0.5990 0.006 . 2 . . . A 184 LEU HD23 . 11570 1 1498 . 1 1 132 132 LEU C C 13 175.8620 0.250 . 1 . . . A 184 LEU C . 11570 1 1499 . 1 1 132 132 LEU CA C 13 52.5310 0.250 . 1 . . . A 184 LEU CA . 11570 1 1500 . 1 1 132 132 LEU CB C 13 43.4600 0.250 . 1 . . . A 184 LEU CB . 11570 1 1501 . 1 1 132 132 LEU CG C 13 27.2300 0.250 . 1 . . . A 184 LEU CG . 11570 1 1502 . 1 1 132 132 LEU CD1 C 13 25.6300 0.250 . 2 . . . A 184 LEU CD1 . 11570 1 1503 . 1 1 132 132 LEU CD2 C 13 24.5900 0.250 . 2 . . . A 184 LEU CD2 . 11570 1 1504 . 1 1 132 132 LEU N N 15 125.7460 0.250 . 1 . . . A 184 LEU N . 11570 1 1505 . 1 1 133 133 ILE H H 1 9.0310 0.006 . 1 . . . A 185 ILE H . 11570 1 1506 . 1 1 133 133 ILE HA H 1 5.3960 0.006 . 1 . . . A 185 ILE HA . 11570 1 1507 . 1 1 133 133 ILE HB H 1 1.6970 0.006 . 1 . . . A 185 ILE HB . 11570 1 1508 . 1 1 133 133 ILE HG12 H 1 1.0450 0.006 . 1 . . . A 185 ILE HG12 . 11570 1 1509 . 1 1 133 133 ILE HG13 H 1 1.3300 0.006 . 1 . . . A 185 ILE HG13 . 11570 1 1510 . 1 1 133 133 ILE HG21 H 1 0.8300 0.006 . 1 . . . A 185 ILE HG21 . 11570 1 1511 . 1 1 133 133 ILE HG22 H 1 0.8300 0.006 . 1 . . . A 185 ILE HG22 . 11570 1 1512 . 1 1 133 133 ILE HG23 H 1 0.8300 0.006 . 1 . . . A 185 ILE HG23 . 11570 1 1513 . 1 1 133 133 ILE HD11 H 1 0.6390 0.006 . 1 . . . A 185 ILE HD11 . 11570 1 1514 . 1 1 133 133 ILE HD12 H 1 0.6390 0.006 . 1 . . . A 185 ILE HD12 . 11570 1 1515 . 1 1 133 133 ILE HD13 H 1 0.6390 0.006 . 1 . . . A 185 ILE HD13 . 11570 1 1516 . 1 1 133 133 ILE C C 13 175.2840 0.250 . 1 . . . A 185 ILE C . 11570 1 1517 . 1 1 133 133 ILE CA C 13 58.9540 0.250 . 1 . . . A 185 ILE CA . 11570 1 1518 . 1 1 133 133 ILE CB C 13 41.6300 0.250 . 1 . . . A 185 ILE CB . 11570 1 1519 . 1 1 133 133 ILE CG1 C 13 27.3100 0.250 . 1 . . . A 185 ILE CG1 . 11570 1 1520 . 1 1 133 133 ILE CG2 C 13 18.4600 0.250 . 1 . . . A 185 ILE CG2 . 11570 1 1521 . 1 1 133 133 ILE CD1 C 13 14.9100 0.250 . 1 . . . A 185 ILE CD1 . 11570 1 1522 . 1 1 133 133 ILE N N 15 119.9840 0.250 . 1 . . . A 185 ILE N . 11570 1 1523 . 1 1 134 134 THR H H 1 8.4700 0.006 . 1 . . . A 186 THR H . 11570 1 1524 . 1 1 134 134 THR HA H 1 4.8670 0.006 . 1 . . . A 186 THR HA . 11570 1 1525 . 1 1 134 134 THR HB H 1 4.4600 0.006 . 1 . . . A 186 THR HB . 11570 1 1526 . 1 1 134 134 THR HG21 H 1 1.4350 0.006 . 1 . . . A 186 THR HG21 . 11570 1 1527 . 1 1 134 134 THR HG22 H 1 1.4350 0.006 . 1 . . . A 186 THR HG22 . 11570 1 1528 . 1 1 134 134 THR HG23 H 1 1.4350 0.006 . 1 . . . A 186 THR HG23 . 11570 1 1529 . 1 1 134 134 THR C C 13 174.1540 0.250 . 1 . . . A 186 THR C . 11570 1 1530 . 1 1 134 134 THR CA C 13 61.0720 0.250 . 1 . . . A 186 THR CA . 11570 1 1531 . 1 1 134 134 THR CB C 13 70.3780 0.250 . 1 . . . A 186 THR CB . 11570 1 1532 . 1 1 134 134 THR CG2 C 13 17.5100 0.250 . 1 . . . A 186 THR CG2 . 11570 1 1533 . 1 1 134 134 THR N N 15 117.0290 0.250 . 1 . . . A 186 THR N . 11570 1 1534 . 1 1 136 136 VAL HA H 1 3.7830 0.006 . 1 . . . A 188 VAL HA . 11570 1 1535 . 1 1 136 136 VAL HB H 1 1.7480 0.006 . 1 . . . A 188 VAL HB . 11570 1 1536 . 1 1 136 136 VAL HG11 H 1 0.3530 0.006 . 2 . . . A 188 VAL HG11 . 11570 1 1537 . 1 1 136 136 VAL HG12 H 1 0.3530 0.006 . 2 . . . A 188 VAL HG12 . 11570 1 1538 . 1 1 136 136 VAL HG13 H 1 0.3530 0.006 . 2 . . . A 188 VAL HG13 . 11570 1 1539 . 1 1 136 136 VAL CA C 13 64.3420 0.250 . 1 . . . A 188 VAL CA . 11570 1 1540 . 1 1 136 136 VAL CB C 13 31.5500 0.250 . 1 . . . A 188 VAL CB . 11570 1 1541 . 1 1 136 136 VAL CG1 C 13 20.8300 0.250 . 1 . . . A 188 VAL CG1 . 11570 1 1542 . 1 1 137 137 SER H H 1 7.8420 0.006 . 1 . . . A 189 SER H . 11570 1 1543 . 1 1 137 137 SER HA H 1 4.3980 0.006 . 1 . . . A 189 SER HA . 11570 1 1544 . 1 1 137 137 SER HB2 H 1 3.9700 0.006 . 2 . . . A 189 SER HB2 . 11570 1 1545 . 1 1 137 137 SER HB3 H 1 3.8600 0.006 . 2 . . . A 189 SER HB3 . 11570 1 1546 . 1 1 137 137 SER C C 13 174.0850 0.250 . 1 . . . A 189 SER C . 11570 1 1547 . 1 1 137 137 SER CA C 13 56.3170 0.250 . 1 . . . A 189 SER CA . 11570 1 1548 . 1 1 137 137 SER CB C 13 64.8500 0.250 . 1 . . . A 189 SER CB . 11570 1 1549 . 1 1 137 137 SER N N 15 111.3330 0.250 . 1 . . . A 189 SER N . 11570 1 1550 . 1 1 138 138 VAL H H 1 8.2230 0.006 . 1 . . . A 190 VAL H . 11570 1 1551 . 1 1 138 138 VAL HA H 1 4.1740 0.006 . 1 . . . A 190 VAL HA . 11570 1 1552 . 1 1 138 138 VAL HB H 1 1.9060 0.006 . 1 . . . A 190 VAL HB . 11570 1 1553 . 1 1 138 138 VAL HG11 H 1 0.8950 0.006 . 2 . . . A 190 VAL HG11 . 11570 1 1554 . 1 1 138 138 VAL HG12 H 1 0.8950 0.006 . 2 . . . A 190 VAL HG12 . 11570 1 1555 . 1 1 138 138 VAL HG13 H 1 0.8950 0.006 . 2 . . . A 190 VAL HG13 . 11570 1 1556 . 1 1 138 138 VAL HG21 H 1 1.0570 0.006 . 2 . . . A 190 VAL HG21 . 11570 1 1557 . 1 1 138 138 VAL HG22 H 1 1.0570 0.006 . 2 . . . A 190 VAL HG22 . 11570 1 1558 . 1 1 138 138 VAL HG23 H 1 1.0570 0.006 . 2 . . . A 190 VAL HG23 . 11570 1 1559 . 1 1 138 138 VAL C C 13 175.5840 0.250 . 1 . . . A 190 VAL C . 11570 1 1560 . 1 1 138 138 VAL CA C 13 63.4510 0.250 . 1 . . . A 190 VAL CA . 11570 1 1561 . 1 1 138 138 VAL CB C 13 32.1400 0.250 . 1 . . . A 190 VAL CB . 11570 1 1562 . 1 1 138 138 VAL CG1 C 13 19.8300 0.250 . 1 . . . A 190 VAL CG1 . 11570 1 1563 . 1 1 138 138 VAL CG2 C 13 21.6400 0.250 . 1 . . . A 190 VAL CG2 . 11570 1 1564 . 1 1 138 138 VAL N N 15 120.2710 0.250 . 1 . . . A 190 VAL N . 11570 1 1565 . 1 1 139 139 LYS H H 1 7.8000 0.006 . 1 . . . A 191 LYS H . 11570 1 1566 . 1 1 139 139 LYS HA H 1 4.3800 0.006 . 1 . . . A 191 LYS HA . 11570 1 1567 . 1 1 139 139 LYS HB2 H 1 1.7800 0.006 . 2 . . . A 191 LYS HB2 . 11570 1 1568 . 1 1 139 139 LYS HB3 H 1 1.6000 0.006 . 2 . . . A 191 LYS HB3 . 11570 1 1569 . 1 1 139 139 LYS HG3 H 1 1.3100 0.006 . 2 . . . A 191 LYS HG3 . 11570 1 1570 . 1 1 139 139 LYS C C 13 175.7230 0.250 . 1 . . . A 191 LYS C . 11570 1 1571 . 1 1 139 139 LYS CA C 13 55.5930 0.250 . 1 . . . A 191 LYS CA . 11570 1 1572 . 1 1 139 139 LYS CB C 13 33.4300 0.250 . 1 . . . A 191 LYS CB . 11570 1 1573 . 1 1 139 139 LYS CG C 13 25.0000 0.250 . 1 . . . A 191 LYS CG . 11570 1 1574 . 1 1 139 139 LYS N N 15 117.9420 0.250 . 1 . . . A 191 LYS N . 11570 1 1575 . 1 1 140 140 ASP H H 1 7.4880 0.006 . 1 . . . A 192 ASP H . 11570 1 1576 . 1 1 140 140 ASP HA H 1 4.7030 0.006 . 1 . . . A 192 ASP HA . 11570 1 1577 . 1 1 140 140 ASP HB2 H 1 2.2870 0.006 . 2 . . . A 192 ASP HB2 . 11570 1 1578 . 1 1 140 140 ASP HB3 H 1 2.7380 0.006 . 2 . . . A 192 ASP HB3 . 11570 1 1579 . 1 1 140 140 ASP CA C 13 53.6490 0.250 . 1 . . . A 192 ASP CA . 11570 1 1580 . 1 1 140 140 ASP CB C 13 41.5870 0.250 . 1 . . . A 192 ASP CB . 11570 1 1581 . 1 1 140 140 ASP N N 15 120.3140 0.250 . 1 . . . A 192 ASP N . 11570 1 1582 . 1 1 141 141 ASN HA H 1 4.9280 0.006 . 1 . . . A 193 ASN HA . 11570 1 1583 . 1 1 141 141 ASN HB3 H 1 2.8760 0.006 . 2 . . . A 193 ASN HB3 . 11570 1 1584 . 1 1 141 141 ASN CB C 13 38.4390 0.250 . 1 . . . A 193 ASN CB . 11570 1 1585 . 1 1 142 142 SER H H 1 8.7460 0.006 . 1 . . . A 194 SER H . 11570 1 1586 . 1 1 142 142 SER HA H 1 4.1410 0.006 . 1 . . . A 194 SER HA . 11570 1 1587 . 1 1 142 142 SER HB2 H 1 3.9660 0.006 . 2 . . . A 194 SER HB2 . 11570 1 1588 . 1 1 142 142 SER HB3 H 1 3.8830 0.006 . 2 . . . A 194 SER HB3 . 11570 1 1589 . 1 1 142 142 SER CA C 13 60.6290 0.250 . 1 . . . A 194 SER CA . 11570 1 1590 . 1 1 142 142 SER CB C 13 63.5310 0.250 . 1 . . . A 194 SER CB . 11570 1 1591 . 1 1 142 142 SER N N 15 117.0200 0.250 . 1 . . . A 194 SER N . 11570 1 1592 . 1 1 143 143 LYS HA H 1 4.7290 0.006 . 1 . . . A 195 LYS HA . 11570 1 1593 . 1 1 143 143 LYS HB2 H 1 1.5620 0.006 . 2 . . . A 195 LYS HB2 . 11570 1 1594 . 1 1 143 143 LYS HB3 H 1 1.3610 0.006 . 2 . . . A 195 LYS HB3 . 11570 1 1595 . 1 1 143 143 LYS HG2 H 1 1.3670 0.006 . 2 . . . A 195 LYS HG2 . 11570 1 1596 . 1 1 143 143 LYS HG3 H 1 1.2070 0.006 . 2 . . . A 195 LYS HG3 . 11570 1 1597 . 1 1 143 143 LYS HD2 H 1 1.4970 0.006 . 2 . . . A 195 LYS HD2 . 11570 1 1598 . 1 1 143 143 LYS HD3 H 1 1.4100 0.006 . 2 . . . A 195 LYS HD3 . 11570 1 1599 . 1 1 143 143 LYS HE2 H 1 2.7580 0.006 . 1 . . . A 195 LYS HE2 . 11570 1 1600 . 1 1 143 143 LYS C C 13 176.5760 0.250 . 1 . . . A 195 LYS C . 11570 1 1601 . 1 1 143 143 LYS CA C 13 54.8250 0.250 . 1 . . . A 195 LYS CA . 11570 1 1602 . 1 1 143 143 LYS CB C 13 38.1300 0.250 . 1 . . . A 195 LYS CB . 11570 1 1603 . 1 1 143 143 LYS CG C 13 25.0800 0.250 . 1 . . . A 195 LYS CG . 11570 1 1604 . 1 1 143 143 LYS CD C 13 28.6900 0.250 . 1 . . . A 195 LYS CD . 11570 1 1605 . 1 1 143 143 LYS CE C 13 41.5000 0.250 . 1 . . . A 195 LYS CE . 11570 1 1606 . 1 1 144 144 ARG H H 1 9.2050 0.006 . 1 . . . A 196 ARG H . 11570 1 1607 . 1 1 144 144 ARG HA H 1 5.1020 0.006 . 1 . . . A 196 ARG HA . 11570 1 1608 . 1 1 144 144 ARG HB2 H 1 1.4500 0.006 . 1 . . . A 196 ARG HB2 . 11570 1 1609 . 1 1 144 144 ARG HB3 H 1 1.7300 0.006 . 1 . . . A 196 ARG HB3 . 11570 1 1610 . 1 1 144 144 ARG C C 13 176.5530 0.250 . 1 . . . A 196 ARG C . 11570 1 1611 . 1 1 144 144 ARG CA C 13 54.4210 0.250 . 1 . . . A 196 ARG CA . 11570 1 1612 . 1 1 144 144 ARG CB C 13 31.1200 0.250 . 1 . . . A 196 ARG CB . 11570 1 1613 . 1 1 144 144 ARG N N 15 120.1400 0.250 . 1 . . . A 196 ARG N . 11570 1 1614 . 1 1 145 145 TYR H H 1 8.4960 0.006 . 1 . . . A 197 TYR H . 11570 1 1615 . 1 1 145 145 TYR HA H 1 5.1920 0.006 . 1 . . . A 197 TYR HA . 11570 1 1616 . 1 1 145 145 TYR HB2 H 1 2.6290 0.006 . 2 . . . A 197 TYR HB2 . 11570 1 1617 . 1 1 145 145 TYR HB3 H 1 2.4200 0.006 . 2 . . . A 197 TYR HB3 . 11570 1 1618 . 1 1 145 145 TYR HD2 H 1 6.8640 0.006 . 3 . . . A 197 TYR HD2 . 11570 1 1619 . 1 1 145 145 TYR HE2 H 1 6.7500 0.006 . 3 . . . A 197 TYR HE2 . 11570 1 1620 . 1 1 145 145 TYR C C 13 174.9380 0.250 . 1 . . . A 197 TYR C . 11570 1 1621 . 1 1 145 145 TYR CA C 13 57.7300 0.250 . 1 . . . A 197 TYR CA . 11570 1 1622 . 1 1 145 145 TYR CB C 13 40.6900 0.250 . 1 . . . A 197 TYR CB . 11570 1 1623 . 1 1 145 145 TYR CD2 C 13 132.3240 0.250 . 1 . . . A 197 TYR CD2 . 11570 1 1624 . 1 1 145 145 TYR CE2 C 13 118.8250 0.250 . 1 . . . A 197 TYR CE2 . 11570 1 1625 . 1 1 145 145 TYR N N 15 120.0050 0.250 . 1 . . . A 197 TYR N . 11570 1 1626 . 1 1 146 146 VAL H H 1 8.9210 0.006 . 1 . . . A 198 VAL H . 11570 1 1627 . 1 1 146 146 VAL HA H 1 4.8210 0.006 . 1 . . . A 198 VAL HA . 11570 1 1628 . 1 1 146 146 VAL HB H 1 1.8840 0.006 . 1 . . . A 198 VAL HB . 11570 1 1629 . 1 1 146 146 VAL HG11 H 1 0.6490 0.006 . 2 . . . A 198 VAL HG11 . 11570 1 1630 . 1 1 146 146 VAL HG12 H 1 0.6490 0.006 . 2 . . . A 198 VAL HG12 . 11570 1 1631 . 1 1 146 146 VAL HG13 H 1 0.6490 0.006 . 2 . . . A 198 VAL HG13 . 11570 1 1632 . 1 1 146 146 VAL HG21 H 1 0.7340 0.006 . 2 . . . A 198 VAL HG21 . 11570 1 1633 . 1 1 146 146 VAL HG22 H 1 0.7340 0.006 . 2 . . . A 198 VAL HG22 . 11570 1 1634 . 1 1 146 146 VAL HG23 H 1 0.7340 0.006 . 2 . . . A 198 VAL HG23 . 11570 1 1635 . 1 1 146 146 VAL C C 13 175.9300 0.250 . 1 . . . A 198 VAL C . 11570 1 1636 . 1 1 146 146 VAL CA C 13 60.5750 0.250 . 1 . . . A 198 VAL CA . 11570 1 1637 . 1 1 146 146 VAL CB C 13 33.4500 0.250 . 1 . . . A 198 VAL CB . 11570 1 1638 . 1 1 146 146 VAL CG1 C 13 21.6800 0.250 . 1 . . . A 198 VAL CG1 . 11570 1 1639 . 1 1 146 146 VAL CG2 C 13 22.6000 0.250 . 1 . . . A 198 VAL CG2 . 11570 1 1640 . 1 1 146 146 VAL N N 15 119.8260 0.250 . 1 . . . A 198 VAL N . 11570 1 1641 . 1 1 147 147 VAL H H 1 9.5050 0.006 . 1 . . . A 199 VAL H . 11570 1 1642 . 1 1 147 147 VAL HA H 1 4.5350 0.006 . 1 . . . A 199 VAL HA . 11570 1 1643 . 1 1 147 147 VAL HB H 1 1.7980 0.006 . 1 . . . A 199 VAL HB . 11570 1 1644 . 1 1 147 147 VAL HG11 H 1 0.7200 0.006 . 2 . . . A 199 VAL HG11 . 11570 1 1645 . 1 1 147 147 VAL HG12 H 1 0.7200 0.006 . 2 . . . A 199 VAL HG12 . 11570 1 1646 . 1 1 147 147 VAL HG13 H 1 0.7200 0.006 . 2 . . . A 199 VAL HG13 . 11570 1 1647 . 1 1 147 147 VAL HG21 H 1 0.7500 0.006 . 2 . . . A 199 VAL HG21 . 11570 1 1648 . 1 1 147 147 VAL HG22 H 1 0.7500 0.006 . 2 . . . A 199 VAL HG22 . 11570 1 1649 . 1 1 147 147 VAL HG23 H 1 0.7500 0.006 . 2 . . . A 199 VAL HG23 . 11570 1 1650 . 1 1 147 147 VAL C C 13 173.3470 0.250 . 1 . . . A 199 VAL C . 11570 1 1651 . 1 1 147 147 VAL CA C 13 61.3270 0.250 . 1 . . . A 199 VAL CA . 11570 1 1652 . 1 1 147 147 VAL CB C 13 33.3300 0.250 . 1 . . . A 199 VAL CB . 11570 1 1653 . 1 1 147 147 VAL CG1 C 13 21.6700 0.250 . 1 . . . A 199 VAL CG1 . 11570 1 1654 . 1 1 147 147 VAL CG2 C 13 21.3060 0.250 . 1 . . . A 199 VAL CG2 . 11570 1 1655 . 1 1 147 147 VAL N N 15 130.2740 0.250 . 1 . . . A 199 VAL N . 11570 1 1656 . 1 1 148 148 ALA H H 1 8.4060 0.006 . 1 . . . A 200 ALA H . 11570 1 1657 . 1 1 148 148 ALA HA H 1 5.4750 0.006 . 1 . . . A 200 ALA HA . 11570 1 1658 . 1 1 148 148 ALA HB1 H 1 1.2530 0.006 . 1 . . . A 200 ALA HB1 . 11570 1 1659 . 1 1 148 148 ALA HB2 H 1 1.2530 0.006 . 1 . . . A 200 ALA HB2 . 11570 1 1660 . 1 1 148 148 ALA HB3 H 1 1.2530 0.006 . 1 . . . A 200 ALA HB3 . 11570 1 1661 . 1 1 148 148 ALA C C 13 177.5870 0.250 . 1 . . . A 200 ALA C . 11570 1 1662 . 1 1 148 148 ALA CA C 13 49.9960 0.250 . 1 . . . A 200 ALA CA . 11570 1 1663 . 1 1 148 148 ALA CB C 13 22.5800 0.250 . 1 . . . A 200 ALA CB . 11570 1 1664 . 1 1 148 148 ALA N N 15 129.7830 0.250 . 1 . . . A 200 ALA N . 11570 1 1665 . 1 1 149 149 GLY H H 1 8.6940 0.006 . 1 . . . A 201 GLY H . 11570 1 1666 . 1 1 149 149 GLY HA2 H 1 4.9770 0.006 . 2 . . . A 201 GLY HA2 . 11570 1 1667 . 1 1 149 149 GLY HA3 H 1 3.2690 0.006 . 2 . . . A 201 GLY HA3 . 11570 1 1668 . 1 1 149 149 GLY C C 13 171.7180 0.250 . 1 . . . A 201 GLY C . 11570 1 1669 . 1 1 149 149 GLY CA C 13 46.3400 0.250 . 1 . . . A 201 GLY CA . 11570 1 1670 . 1 1 149 149 GLY N N 15 107.3980 0.250 . 1 . . . A 201 GLY N . 11570 1 1671 . 1 1 150 150 ASP H H 1 8.2620 0.006 . 1 . . . A 202 ASP H . 11570 1 1672 . 1 1 150 150 ASP HA H 1 5.2230 0.006 . 1 . . . A 202 ASP HA . 11570 1 1673 . 1 1 150 150 ASP HB2 H 1 2.6660 0.006 . 2 . . . A 202 ASP HB2 . 11570 1 1674 . 1 1 150 150 ASP HB3 H 1 2.4370 0.006 . 2 . . . A 202 ASP HB3 . 11570 1 1675 . 1 1 150 150 ASP C C 13 176.5510 0.250 . 1 . . . A 202 ASP C . 11570 1 1676 . 1 1 150 150 ASP CA C 13 53.3130 0.250 . 1 . . . A 202 ASP CA . 11570 1 1677 . 1 1 150 150 ASP CB C 13 42.9050 0.250 . 1 . . . A 202 ASP CB . 11570 1 1678 . 1 1 150 150 ASP N N 15 121.5510 0.250 . 1 . . . A 202 ASP N . 11570 1 1679 . 1 1 151 151 LEU H H 1 8.0540 0.006 . 1 . . . A 203 LEU H . 11570 1 1680 . 1 1 151 151 LEU HA H 1 3.6840 0.006 . 1 . . . A 203 LEU HA . 11570 1 1681 . 1 1 151 151 LEU HB2 H 1 1.6320 0.006 . 1 . . . A 203 LEU HB2 . 11570 1 1682 . 1 1 151 151 LEU HB3 H 1 0.8400 0.006 . 1 . . . A 203 LEU HB3 . 11570 1 1683 . 1 1 151 151 LEU HG H 1 1.0920 0.006 . 1 . . . A 203 LEU HG . 11570 1 1684 . 1 1 151 151 LEU HD11 H 1 0.2120 0.006 . 2 . . . A 203 LEU HD11 . 11570 1 1685 . 1 1 151 151 LEU HD12 H 1 0.2120 0.006 . 2 . . . A 203 LEU HD12 . 11570 1 1686 . 1 1 151 151 LEU HD13 H 1 0.2120 0.006 . 2 . . . A 203 LEU HD13 . 11570 1 1687 . 1 1 151 151 LEU HD21 H 1 0.8280 0.006 . 2 . . . A 203 LEU HD21 . 11570 1 1688 . 1 1 151 151 LEU HD22 H 1 0.8280 0.006 . 2 . . . A 203 LEU HD22 . 11570 1 1689 . 1 1 151 151 LEU HD23 H 1 0.8280 0.006 . 2 . . . A 203 LEU HD23 . 11570 1 1690 . 1 1 151 151 LEU C C 13 176.7230 0.250 . 1 . . . A 203 LEU C . 11570 1 1691 . 1 1 151 151 LEU CA C 13 56.4500 0.250 . 1 . . . A 203 LEU CA . 11570 1 1692 . 1 1 151 151 LEU CB C 13 42.3300 0.250 . 1 . . . A 203 LEU CB . 11570 1 1693 . 1 1 151 151 LEU CG C 13 26.9900 0.250 . 1 . . . A 203 LEU CG . 11570 1 1694 . 1 1 151 151 LEU CD1 C 13 22.1900 0.250 . 2 . . . A 203 LEU CD1 . 11570 1 1695 . 1 1 151 151 LEU CD2 C 13 27.3800 0.250 . 2 . . . A 203 LEU CD2 . 11570 1 1696 . 1 1 151 151 LEU N N 15 122.9170 0.250 . 1 . . . A 203 LEU N . 11570 1 1697 . 1 1 152 152 VAL H H 1 9.6890 0.006 . 1 . . . A 204 VAL H . 11570 1 1698 . 1 1 152 152 VAL HA H 1 4.2190 0.006 . 1 . . . A 204 VAL HA . 11570 1 1699 . 1 1 152 152 VAL HB H 1 1.8860 0.006 . 1 . . . A 204 VAL HB . 11570 1 1700 . 1 1 152 152 VAL HG11 H 1 0.6860 0.006 . 2 . . . A 204 VAL HG11 . 11570 1 1701 . 1 1 152 152 VAL HG12 H 1 0.6860 0.006 . 2 . . . A 204 VAL HG12 . 11570 1 1702 . 1 1 152 152 VAL HG13 H 1 0.6860 0.006 . 2 . . . A 204 VAL HG13 . 11570 1 1703 . 1 1 152 152 VAL HG21 H 1 0.8010 0.006 . 2 . . . A 204 VAL HG21 . 11570 1 1704 . 1 1 152 152 VAL HG22 H 1 0.8010 0.006 . 2 . . . A 204 VAL HG22 . 11570 1 1705 . 1 1 152 152 VAL HG23 H 1 0.8010 0.006 . 2 . . . A 204 VAL HG23 . 11570 1 1706 . 1 1 152 152 VAL C C 13 176.5510 0.250 . 1 . . . A 204 VAL C . 11570 1 1707 . 1 1 152 152 VAL CA C 13 62.3040 0.250 . 1 . . . A 204 VAL CA . 11570 1 1708 . 1 1 152 152 VAL CB C 13 33.2700 0.250 . 1 . . . A 204 VAL CB . 11570 1 1709 . 1 1 152 152 VAL CG1 C 13 20.6300 0.250 . 1 . . . A 204 VAL CG1 . 11570 1 1710 . 1 1 152 152 VAL CG2 C 13 21.1000 0.250 . 1 . . . A 204 VAL CG2 . 11570 1 1711 . 1 1 152 152 VAL N N 15 126.6600 0.250 . 1 . . . A 204 VAL N . 11570 1 1712 . 1 1 153 153 GLY H H 1 7.4920 0.006 . 1 . . . A 205 GLY H . 11570 1 1713 . 1 1 153 153 GLY HA2 H 1 4.1250 0.006 . 2 . . . A 205 GLY HA2 . 11570 1 1714 . 1 1 153 153 GLY HA3 H 1 4.0710 0.006 . 2 . . . A 205 GLY HA3 . 11570 1 1715 . 1 1 153 153 GLY C C 13 170.4630 0.250 . 1 . . . A 205 GLY C . 11570 1 1716 . 1 1 153 153 GLY CA C 13 45.9600 0.250 . 1 . . . A 205 GLY CA . 11570 1 1717 . 1 1 153 153 GLY N N 15 107.7840 0.250 . 1 . . . A 205 GLY N . 11570 1 1718 . 1 1 154 154 THR H H 1 7.9370 0.006 . 1 . . . A 206 THR H . 11570 1 1719 . 1 1 154 154 THR HA H 1 4.9270 0.006 . 1 . . . A 206 THR HA . 11570 1 1720 . 1 1 154 154 THR HB H 1 3.7070 0.006 . 1 . . . A 206 THR HB . 11570 1 1721 . 1 1 154 154 THR HG21 H 1 0.8370 0.006 . 1 . . . A 206 THR HG21 . 11570 1 1722 . 1 1 154 154 THR HG22 H 1 0.8370 0.006 . 1 . . . A 206 THR HG22 . 11570 1 1723 . 1 1 154 154 THR HG23 H 1 0.8370 0.006 . 1 . . . A 206 THR HG23 . 11570 1 1724 . 1 1 154 154 THR C C 13 173.0980 0.250 . 1 . . . A 206 THR C . 11570 1 1725 . 1 1 154 154 THR CA C 13 61.2250 0.250 . 1 . . . A 206 THR CA . 11570 1 1726 . 1 1 154 154 THR CB C 13 71.3520 0.250 . 1 . . . A 206 THR CB . 11570 1 1727 . 1 1 154 154 THR CG2 C 13 21.2700 0.250 . 1 . . . A 206 THR CG2 . 11570 1 1728 . 1 1 154 154 THR N N 15 114.6690 0.250 . 1 . . . A 206 THR N . 11570 1 1729 . 1 1 155 155 LYS H H 1 8.6130 0.006 . 1 . . . A 207 LYS H . 11570 1 1730 . 1 1 155 155 LYS HA H 1 4.5200 0.006 . 1 . . . A 207 LYS HA . 11570 1 1731 . 1 1 155 155 LYS HB2 H 1 1.7630 0.006 . 2 . . . A 207 LYS HB2 . 11570 1 1732 . 1 1 155 155 LYS HB3 H 1 1.5800 0.006 . 2 . . . A 207 LYS HB3 . 11570 1 1733 . 1 1 155 155 LYS HG2 H 1 1.2700 0.006 . 2 . . . A 207 LYS HG2 . 11570 1 1734 . 1 1 155 155 LYS HG3 H 1 1.3230 0.006 . 2 . . . A 207 LYS HG3 . 11570 1 1735 . 1 1 155 155 LYS HD2 H 1 1.6300 0.006 . 2 . . . A 207 LYS HD2 . 11570 1 1736 . 1 1 155 155 LYS HE2 H 1 2.9120 0.006 . 1 . . . A 207 LYS HE2 . 11570 1 1737 . 1 1 155 155 LYS C C 13 174.3080 0.250 . 1 . . . A 207 LYS C . 11570 1 1738 . 1 1 155 155 LYS CA C 13 54.7100 0.250 . 1 . . . A 207 LYS CA . 11570 1 1739 . 1 1 155 155 LYS CB C 13 36.3000 0.250 . 1 . . . A 207 LYS CB . 11570 1 1740 . 1 1 155 155 LYS CG C 13 24.2000 0.250 . 1 . . . A 207 LYS CG . 11570 1 1741 . 1 1 155 155 LYS CD C 13 29.1800 0.250 . 1 . . . A 207 LYS CD . 11570 1 1742 . 1 1 155 155 LYS CE C 13 41.9300 0.250 . 1 . . . A 207 LYS CE . 11570 1 1743 . 1 1 155 155 LYS N N 15 124.5490 0.250 . 1 . . . A 207 LYS N . 11570 1 1744 . 1 1 156 156 ALA H H 1 8.3680 0.006 . 1 . . . A 208 ALA H . 11570 1 1745 . 1 1 156 156 ALA HA H 1 4.7280 0.006 . 1 . . . A 208 ALA HA . 11570 1 1746 . 1 1 156 156 ALA HB1 H 1 1.3420 0.006 . 1 . . . A 208 ALA HB1 . 11570 1 1747 . 1 1 156 156 ALA HB2 H 1 1.3420 0.006 . 1 . . . A 208 ALA HB2 . 11570 1 1748 . 1 1 156 156 ALA HB3 H 1 1.3420 0.006 . 1 . . . A 208 ALA HB3 . 11570 1 1749 . 1 1 156 156 ALA C C 13 178.2770 0.250 . 1 . . . A 208 ALA C . 11570 1 1750 . 1 1 156 156 ALA CA C 13 52.2250 0.250 . 1 . . . A 208 ALA CA . 11570 1 1751 . 1 1 156 156 ALA CB C 13 18.8800 0.250 . 1 . . . A 208 ALA CB . 11570 1 1752 . 1 1 156 156 ALA N N 15 125.6060 0.250 . 1 . . . A 208 ALA N . 11570 1 1753 . 1 1 157 157 LYS H H 1 8.3930 0.006 . 1 . . . A 209 LYS H . 11570 1 1754 . 1 1 157 157 LYS HA H 1 4.1740 0.006 . 1 . . . A 209 LYS HA . 11570 1 1755 . 1 1 157 157 LYS HB2 H 1 1.5880 0.006 . 2 . . . A 209 LYS HB2 . 11570 1 1756 . 1 1 157 157 LYS HB3 H 1 1.6660 0.006 . 2 . . . A 209 LYS HB3 . 11570 1 1757 . 1 1 157 157 LYS HG2 H 1 1.2790 0.006 . 2 . . . A 209 LYS HG2 . 11570 1 1758 . 1 1 157 157 LYS HE2 H 1 2.8420 0.006 . 1 . . . A 209 LYS HE2 . 11570 1 1759 . 1 1 157 157 LYS C C 13 174.9380 0.250 . 1 . . . A 209 LYS C . 11570 1 1760 . 1 1 157 157 LYS CA C 13 56.3900 0.250 . 1 . . . A 209 LYS CA . 11570 1 1761 . 1 1 157 157 LYS CB C 13 32.9700 0.250 . 1 . . . A 209 LYS CB . 11570 1 1762 . 1 1 157 157 LYS CG C 13 24.3900 0.250 . 1 . . . A 209 LYS CG . 11570 1 1763 . 1 1 157 157 LYS CE C 13 41.7200 0.250 . 1 . . . A 209 LYS CE . 11570 1 1764 . 1 1 157 157 LYS N N 15 123.1200 0.250 . 1 . . . A 209 LYS N . 11570 1 1765 . 1 1 158 158 LYS H H 1 7.8610 0.006 . 1 . . . A 210 LYS H . 11570 1 1766 . 1 1 158 158 LYS HA H 1 4.1020 0.006 . 1 . . . A 210 LYS HA . 11570 1 1767 . 1 1 158 158 LYS HB2 H 1 1.6220 0.006 . 2 . . . A 210 LYS HB2 . 11570 1 1768 . 1 1 158 158 LYS HB3 H 1 1.7340 0.006 . 2 . . . A 210 LYS HB3 . 11570 1 1769 . 1 1 158 158 LYS HG2 H 1 1.3280 0.006 . 2 . . . A 210 LYS HG2 . 11570 1 1770 . 1 1 158 158 LYS C C 13 181.0750 0.250 . 1 . . . A 210 LYS C . 11570 1 1771 . 1 1 158 158 LYS CA C 13 57.4180 0.250 . 1 . . . A 210 LYS CA . 11570 1 1772 . 1 1 158 158 LYS CB C 13 33.8200 0.250 . 1 . . . A 210 LYS CB . 11570 1 1773 . 1 1 158 158 LYS CG C 13 24.5800 0.250 . 1 . . . A 210 LYS CG . 11570 1 1774 . 1 1 158 158 LYS N N 15 128.0430 0.250 . 1 . . . A 210 LYS N . 11570 1 1775 . 2 2 2 2 LEU HA H 1 4.2700 0.006 . 1 . . . B 702 LEU HA . 11570 1 1776 . 2 2 2 2 LEU HB2 H 1 1.1500 0.006 . 1 . . . B 702 LEU HB1|HB2 . 11570 1 1777 . 2 2 2 2 LEU HB3 H 1 1.5500 0.006 . 1 . . . B 702 LEU HB2|HB1 . 11570 1 1778 . 2 2 2 2 LEU HG H 1 1.6500 0.006 . 1 . . . B 702 LEU HG . 11570 1 1779 . 2 2 2 2 LEU HD11 H 1 0.6800 0.006 . 2 . . . B 702 LEU HD1# . 11570 1 1780 . 2 2 2 2 LEU HD12 H 1 0.6800 0.006 . 2 . . . B 702 LEU HD1# . 11570 1 1781 . 2 2 2 2 LEU HD13 H 1 0.6800 0.006 . 2 . . . B 702 LEU HD1# . 11570 1 1782 . 2 2 2 2 LEU HD21 H 1 0.7200 0.006 . 2 . . . B 702 LEU HD2# . 11570 1 1783 . 2 2 2 2 LEU HD22 H 1 0.7200 0.006 . 2 . . . B 702 LEU HD2# . 11570 1 1784 . 2 2 2 2 LEU HD23 H 1 0.7200 0.006 . 2 . . . B 702 LEU HD2# . 11570 1 1785 . 2 2 3 3 PRO HA H 1 4.5000 0.006 . 1 . . . B 703 PRO HA . 11570 1 1786 . 2 2 3 3 PRO HB2 H 1 2.3700 0.006 . 2 . . . B 703 PRO HB1|HB2 . 11570 1 1787 . 2 2 3 3 PRO HB3 H 1 1.8000 0.006 . 2 . . . B 703 PRO HB2|HB1 . 11570 1 1788 . 2 2 3 3 PRO HG2 H 1 2.1900 0.006 . 2 . . . B 703 PRO HG1|HG2 . 11570 1 1789 . 2 2 3 3 PRO HD2 H 1 3.3700 0.006 . 2 . . . B 703 PRO HD1|HD2 . 11570 1 1790 . 2 2 3 3 PRO HD3 H 1 3.8700 0.006 . 2 . . . B 703 PRO HD2|HD1 . 11570 1 1791 . 2 2 4 4 ALA HA H 1 4.0900 0.006 . 1 . . . B 704 ALA HA . 11570 1 1792 . 2 2 4 4 ALA HB1 H 1 1.5300 0.006 . 1 . . . B 704 ALA HB# . 11570 1 1793 . 2 2 4 4 ALA HB2 H 1 1.5300 0.006 . 1 . . . B 704 ALA HB# . 11570 1 1794 . 2 2 4 4 ALA HB3 H 1 1.5300 0.006 . 1 . . . B 704 ALA HB# . 11570 1 1795 . 2 2 5 5 B27 HA H 1 4.0000 0.006 . 1 . . . B 705 B27 HA . 11570 1 1796 . 2 2 5 5 B27 HB H 1 3.8000 0.006 . 1 . . . B 705 B27 HB . 11570 1 1797 . 2 2 5 5 B27 HG2 H 1 1.0000 0.006 . 1 . . . B 705 B27 HG2 . 11570 1 1798 . 2 2 5 5 B27 HX H 1 3.0000 0.006 . 1 . . . B 705 B27 HX . 11570 1 stop_ save_