data_16240 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16240 _Entry.Title ; Solution structure of full-length SlyD from E.coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-04-03 _Entry.Accession_date 2009-04-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Luigi Martino . . . 16240 2 Geoff Kelly . . . 16240 3 Maria Conte . R. . 16240 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' . 16240 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 16240 SlyD . 16240 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16240 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 609 16240 '15N chemical shifts' 148 16240 '1H chemical shifts' 920 16240 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 3 . . 2010-05-28 2009-04-03 update BMRB 'edit entity/assembly name' 16240 2 . . 2009-11-25 2009-04-03 update BMRB 'complete entry citation' 16240 1 . . 2009-09-24 2009-04-03 original author 'original release' 16240 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KFW 'BMRB Entry Tracking System' 16240 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16240 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19760519 _Citation.Full_citation . _Citation.Title 'Resonance assignment of SlyD from E. coli' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 3 _Citation.Journal_issue 2 _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 235 _Citation.Page_last 237 _Citation.Year 2009 _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 Luigi Martino . . . 16240 1 2 Geoff Kelly . . . 16240 1 3 Maria Conte . R. . 16240 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16240 _Assembly.ID 1 _Assembly.Name SlyD _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SlyD 1 $entity A . yes native no no . . . 16240 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16240 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SlyD _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 ; MKVAKDLVVSLAYQVRTEDG VLVDESPVSAPLDYLHGHGS LISGLETALEGHEVGDKFDV AVGANDAYGQYDENLVQRVP KDVFMGVDELQVGMRFLAET DQGPVPVEITAVEDDHVVVD GNHMLAGQNLKFNVEVVAIR EATEEELAHGHVHGAHDHHH DHDHDGCCGGHGHDHGHEHG GEGCCGGKGNGGCGCH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Full length native protein' _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 196 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20883.012 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15950 . METHIONINE . . . . . 84.18 171 100.00 100.00 8.32e-110 . . . . 16240 1 2 no PDB 2K8I . "Solution Structure Of E.Coli Slyd" . . . . . 84.18 171 100.00 100.00 8.32e-110 . . . . 16240 1 3 no PDB 2KFW . "Solution Structure Of Full-Length Slyd From E.Coli" . . . . . 100.00 196 100.00 100.00 6.78e-134 . . . . 16240 1 4 no DBJ BAB37623 . "FKBP-type peptidyl-prolyl cis-trans isomerase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 196 100.00 100.00 6.78e-134 . . . . 16240 1 5 no DBJ BAE77942 . "FKBP-type peptidyl prolyl cis-trans isomerase [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 196 100.00 100.00 6.78e-134 . . . . 16240 1 6 no DBJ BAG79134 . "peptidyl prolyl cis-trans isomerase [Escherichia coli SE11]" . . . . . 100.00 196 100.00 100.00 6.78e-134 . . . . 16240 1 7 no DBJ BAH65509 . "FKBP-type peptidyl prolyl cis-trans isomerase [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 75.00 195 97.28 97.96 7.79e-94 . . . . 16240 1 8 no DBJ BAI27607 . "FKBP-type peptidyl prolyl cis-trans isomerase [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 196 100.00 100.00 6.78e-134 . . . . 16240 1 9 no EMBL CAA79705 . "histidine rich protein [Escherichia coli]" . . . . . 100.00 196 100.00 100.00 6.78e-134 . . . . 16240 1 10 no EMBL CAD08158 . "FKBP-type peptidyl-prolyl cis-trans isomerase [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 91.84 196 97.78 97.78 7.85e-93 . . . . 16240 1 11 no EMBL CAP77801 . "FKBP-type peptidyl-prolyl cis-trans isomerase slyD [Escherichia coli LF82]" . . . . . 100.00 196 100.00 100.00 6.78e-134 . . . . 16240 1 12 no EMBL CAQ33668 . "FKBP-type peptidyl prolyl cis-trans isomerase [Escherichia coli BL21(DE3)]" . . . . . 100.00 196 100.00 100.00 6.78e-134 . . . . 16240 1 13 no EMBL CAQ90798 . "FKBP-type peptidyl prolyl cis-trans isomerase (rotamase) [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 196 98.47 99.49 3.44e-132 . . . . 16240 1 14 no GB AAA18574 . "sensitivity to lysis gene [Escherichia coli]" . . . . . 100.00 196 100.00 100.00 6.78e-134 . . . . 16240 1 15 no GB AAA58146 . "histidine rich protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 196 100.00 100.00 6.78e-134 . . . . 16240 1 16 no GB AAC41458 . "slyD [Escherichia coli]" . . . . . 100.00 196 100.00 100.00 6.78e-134 . . . . 16240 1 17 no GB AAC76374 . "FKBP-type peptidyl prolyl cis-trans isomerase (rotamase) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 196 100.00 100.00 6.78e-134 . . . . 16240 1 18 no GB AAG58456 . "FKBP-type peptidyl-prolyl cis-trans isomerase (rotamase) [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 196 100.00 100.00 6.78e-134 . . . . 16240 1 19 no PIR AB1004 . "peptidylprolyl isomerase (EC 5.2.1.8) - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 91.84 196 97.78 97.78 7.85e-93 . . . . 16240 1 20 no REF NP_312227 . "FKBP-type peptidylprolyl isomerase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 196 100.00 100.00 6.78e-134 . . . . 16240 1 21 no REF NP_417808 . "FKBP-type peptidyl prolyl cis-trans isomerase (rotamase) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 196 100.00 100.00 6.78e-134 . . . . 16240 1 22 no REF NP_458445 . "FkbB-type peptidyl-prolyl cis-trans isomerase [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 91.84 196 97.78 97.78 7.85e-93 . . . . 16240 1 23 no REF NP_462359 . "FKBP-type peptidyl-prolyl cis-trans isomerase [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 87.76 196 98.26 98.26 5.42e-93 . . . . 16240 1 24 no REF NP_709123 . "FKBP-type peptidylprolyl isomerase [Shigella flexneri 2a str. 301]" . . . . . 100.00 196 100.00 100.00 6.78e-134 . . . . 16240 1 25 no SP P0A9K9 . "RecName: Full=FKBP-type peptidyl-prolyl cis-trans isomerase SlyD; Short=PPIase; AltName: Full=Histidine-rich protein; AltName: " . . . . . 100.00 196 100.00 100.00 6.78e-134 . . . . 16240 1 26 no SP P0A9L0 . "RecName: Full=FKBP-type peptidyl-prolyl cis-trans isomerase SlyD; Short=PPIase; AltName: Full=Metallochaperone SlyD" . . . . . 100.00 196 100.00 100.00 6.78e-134 . . . . 16240 1 27 no SP P0A9L1 . "RecName: Full=FKBP-type peptidyl-prolyl cis-trans isomerase SlyD; Short=PPIase; AltName: Full=Metallochaperone SlyD" . . . . . 100.00 196 100.00 100.00 6.78e-134 . . . . 16240 1 28 no SP P0A9L2 . "RecName: Full=FKBP-type peptidyl-prolyl cis-trans isomerase SlyD; Short=PPIase; AltName: Full=Metallochaperone SlyD" . . . . . 100.00 196 100.00 100.00 6.78e-134 . . . . 16240 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16240 1 2 . LYS . 16240 1 3 . VAL . 16240 1 4 . ALA . 16240 1 5 . LYS . 16240 1 6 . ASP . 16240 1 7 . LEU . 16240 1 8 . VAL . 16240 1 9 . VAL . 16240 1 10 . SER . 16240 1 11 . LEU . 16240 1 12 . ALA . 16240 1 13 . TYR . 16240 1 14 . GLN . 16240 1 15 . VAL . 16240 1 16 . ARG . 16240 1 17 . THR . 16240 1 18 . GLU . 16240 1 19 . ASP . 16240 1 20 . GLY . 16240 1 21 . VAL . 16240 1 22 . LEU . 16240 1 23 . VAL . 16240 1 24 . ASP . 16240 1 25 . GLU . 16240 1 26 . SER . 16240 1 27 . PRO . 16240 1 28 . VAL . 16240 1 29 . SER . 16240 1 30 . ALA . 16240 1 31 . PRO . 16240 1 32 . LEU . 16240 1 33 . ASP . 16240 1 34 . TYR . 16240 1 35 . LEU . 16240 1 36 . HIS . 16240 1 37 . GLY . 16240 1 38 . HIS . 16240 1 39 . GLY . 16240 1 40 . SER . 16240 1 41 . LEU . 16240 1 42 . ILE . 16240 1 43 . SER . 16240 1 44 . GLY . 16240 1 45 . LEU . 16240 1 46 . GLU . 16240 1 47 . THR . 16240 1 48 . ALA . 16240 1 49 . LEU . 16240 1 50 . GLU . 16240 1 51 . GLY . 16240 1 52 . HIS . 16240 1 53 . GLU . 16240 1 54 . VAL . 16240 1 55 . GLY . 16240 1 56 . ASP . 16240 1 57 . LYS . 16240 1 58 . PHE . 16240 1 59 . ASP . 16240 1 60 . VAL . 16240 1 61 . ALA . 16240 1 62 . VAL . 16240 1 63 . GLY . 16240 1 64 . ALA . 16240 1 65 . ASN . 16240 1 66 . ASP . 16240 1 67 . ALA . 16240 1 68 . TYR . 16240 1 69 . GLY . 16240 1 70 . GLN . 16240 1 71 . TYR . 16240 1 72 . ASP . 16240 1 73 . GLU . 16240 1 74 . ASN . 16240 1 75 . LEU . 16240 1 76 . VAL . 16240 1 77 . GLN . 16240 1 78 . ARG . 16240 1 79 . VAL . 16240 1 80 . PRO . 16240 1 81 . LYS . 16240 1 82 . ASP . 16240 1 83 . VAL . 16240 1 84 . PHE . 16240 1 85 . MET . 16240 1 86 . GLY . 16240 1 87 . VAL . 16240 1 88 . ASP . 16240 1 89 . GLU . 16240 1 90 . LEU . 16240 1 91 . GLN . 16240 1 92 . VAL . 16240 1 93 . GLY . 16240 1 94 . MET . 16240 1 95 . ARG . 16240 1 96 . PHE . 16240 1 97 . LEU . 16240 1 98 . ALA . 16240 1 99 . GLU . 16240 1 100 . THR . 16240 1 101 . ASP . 16240 1 102 . GLN . 16240 1 103 . GLY . 16240 1 104 . PRO . 16240 1 105 . VAL . 16240 1 106 . PRO . 16240 1 107 . VAL . 16240 1 108 . GLU . 16240 1 109 . ILE . 16240 1 110 . THR . 16240 1 111 . ALA . 16240 1 112 . VAL . 16240 1 113 . GLU . 16240 1 114 . ASP . 16240 1 115 . ASP . 16240 1 116 . HIS . 16240 1 117 . VAL . 16240 1 118 . VAL . 16240 1 119 . VAL . 16240 1 120 . ASP . 16240 1 121 . GLY . 16240 1 122 . ASN . 16240 1 123 . HIS . 16240 1 124 . MET . 16240 1 125 . LEU . 16240 1 126 . ALA . 16240 1 127 . GLY . 16240 1 128 . GLN . 16240 1 129 . ASN . 16240 1 130 . LEU . 16240 1 131 . LYS . 16240 1 132 . PHE . 16240 1 133 . ASN . 16240 1 134 . VAL . 16240 1 135 . GLU . 16240 1 136 . VAL . 16240 1 137 . VAL . 16240 1 138 . ALA . 16240 1 139 . ILE . 16240 1 140 . ARG . 16240 1 141 . GLU . 16240 1 142 . ALA . 16240 1 143 . THR . 16240 1 144 . GLU . 16240 1 145 . GLU . 16240 1 146 . GLU . 16240 1 147 . LEU . 16240 1 148 . ALA . 16240 1 149 . HIS . 16240 1 150 . GLY . 16240 1 151 . HIS . 16240 1 152 . VAL . 16240 1 153 . HIS . 16240 1 154 . GLY . 16240 1 155 . ALA . 16240 1 156 . HIS . 16240 1 157 . ASP . 16240 1 158 . HIS . 16240 1 159 . HIS . 16240 1 160 . HIS . 16240 1 161 . ASP . 16240 1 162 . HIS . 16240 1 163 . ASP . 16240 1 164 . HIS . 16240 1 165 . ASP . 16240 1 166 . GLY . 16240 1 167 . CYS . 16240 1 168 . CYS . 16240 1 169 . GLY . 16240 1 170 . GLY . 16240 1 171 . HIS . 16240 1 172 . GLY . 16240 1 173 . HIS . 16240 1 174 . ASP . 16240 1 175 . HIS . 16240 1 176 . GLY . 16240 1 177 . HIS . 16240 1 178 . GLU . 16240 1 179 . HIS . 16240 1 180 . GLY . 16240 1 181 . GLY . 16240 1 182 . GLU . 16240 1 183 . GLY . 16240 1 184 . CYS . 16240 1 185 . CYS . 16240 1 186 . GLY . 16240 1 187 . GLY . 16240 1 188 . LYS . 16240 1 189 . GLY . 16240 1 190 . ASN . 16240 1 191 . GLY . 16240 1 192 . GLY . 16240 1 193 . CYS . 16240 1 194 . GLY . 16240 1 195 . CYS . 16240 1 196 . HIS . 16240 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16240 1 . LYS 2 2 16240 1 . VAL 3 3 16240 1 . ALA 4 4 16240 1 . LYS 5 5 16240 1 . ASP 6 6 16240 1 . LEU 7 7 16240 1 . VAL 8 8 16240 1 . VAL 9 9 16240 1 . SER 10 10 16240 1 . LEU 11 11 16240 1 . ALA 12 12 16240 1 . TYR 13 13 16240 1 . GLN 14 14 16240 1 . VAL 15 15 16240 1 . ARG 16 16 16240 1 . THR 17 17 16240 1 . GLU 18 18 16240 1 . ASP 19 19 16240 1 . GLY 20 20 16240 1 . VAL 21 21 16240 1 . LEU 22 22 16240 1 . VAL 23 23 16240 1 . ASP 24 24 16240 1 . GLU 25 25 16240 1 . SER 26 26 16240 1 . PRO 27 27 16240 1 . VAL 28 28 16240 1 . SER 29 29 16240 1 . ALA 30 30 16240 1 . PRO 31 31 16240 1 . LEU 32 32 16240 1 . ASP 33 33 16240 1 . TYR 34 34 16240 1 . LEU 35 35 16240 1 . HIS 36 36 16240 1 . GLY 37 37 16240 1 . HIS 38 38 16240 1 . GLY 39 39 16240 1 . SER 40 40 16240 1 . LEU 41 41 16240 1 . ILE 42 42 16240 1 . SER 43 43 16240 1 . GLY 44 44 16240 1 . LEU 45 45 16240 1 . GLU 46 46 16240 1 . THR 47 47 16240 1 . ALA 48 48 16240 1 . LEU 49 49 16240 1 . GLU 50 50 16240 1 . GLY 51 51 16240 1 . HIS 52 52 16240 1 . GLU 53 53 16240 1 . VAL 54 54 16240 1 . GLY 55 55 16240 1 . ASP 56 56 16240 1 . LYS 57 57 16240 1 . PHE 58 58 16240 1 . ASP 59 59 16240 1 . VAL 60 60 16240 1 . ALA 61 61 16240 1 . VAL 62 62 16240 1 . GLY 63 63 16240 1 . ALA 64 64 16240 1 . ASN 65 65 16240 1 . ASP 66 66 16240 1 . ALA 67 67 16240 1 . TYR 68 68 16240 1 . GLY 69 69 16240 1 . GLN 70 70 16240 1 . TYR 71 71 16240 1 . ASP 72 72 16240 1 . GLU 73 73 16240 1 . ASN 74 74 16240 1 . LEU 75 75 16240 1 . VAL 76 76 16240 1 . GLN 77 77 16240 1 . ARG 78 78 16240 1 . VAL 79 79 16240 1 . PRO 80 80 16240 1 . LYS 81 81 16240 1 . ASP 82 82 16240 1 . VAL 83 83 16240 1 . PHE 84 84 16240 1 . MET 85 85 16240 1 . GLY 86 86 16240 1 . VAL 87 87 16240 1 . ASP 88 88 16240 1 . GLU 89 89 16240 1 . LEU 90 90 16240 1 . GLN 91 91 16240 1 . VAL 92 92 16240 1 . GLY 93 93 16240 1 . MET 94 94 16240 1 . ARG 95 95 16240 1 . PHE 96 96 16240 1 . LEU 97 97 16240 1 . ALA 98 98 16240 1 . GLU 99 99 16240 1 . THR 100 100 16240 1 . ASP 101 101 16240 1 . GLN 102 102 16240 1 . GLY 103 103 16240 1 . PRO 104 104 16240 1 . VAL 105 105 16240 1 . PRO 106 106 16240 1 . VAL 107 107 16240 1 . GLU 108 108 16240 1 . ILE 109 109 16240 1 . THR 110 110 16240 1 . ALA 111 111 16240 1 . VAL 112 112 16240 1 . GLU 113 113 16240 1 . ASP 114 114 16240 1 . ASP 115 115 16240 1 . HIS 116 116 16240 1 . VAL 117 117 16240 1 . VAL 118 118 16240 1 . VAL 119 119 16240 1 . ASP 120 120 16240 1 . GLY 121 121 16240 1 . ASN 122 122 16240 1 . HIS 123 123 16240 1 . MET 124 124 16240 1 . LEU 125 125 16240 1 . ALA 126 126 16240 1 . GLY 127 127 16240 1 . GLN 128 128 16240 1 . ASN 129 129 16240 1 . LEU 130 130 16240 1 . LYS 131 131 16240 1 . PHE 132 132 16240 1 . ASN 133 133 16240 1 . VAL 134 134 16240 1 . GLU 135 135 16240 1 . VAL 136 136 16240 1 . VAL 137 137 16240 1 . ALA 138 138 16240 1 . ILE 139 139 16240 1 . ARG 140 140 16240 1 . GLU 141 141 16240 1 . ALA 142 142 16240 1 . THR 143 143 16240 1 . GLU 144 144 16240 1 . GLU 145 145 16240 1 . GLU 146 146 16240 1 . LEU 147 147 16240 1 . ALA 148 148 16240 1 . HIS 149 149 16240 1 . GLY 150 150 16240 1 . HIS 151 151 16240 1 . VAL 152 152 16240 1 . HIS 153 153 16240 1 . GLY 154 154 16240 1 . ALA 155 155 16240 1 . HIS 156 156 16240 1 . ASP 157 157 16240 1 . HIS 158 158 16240 1 . HIS 159 159 16240 1 . HIS 160 160 16240 1 . ASP 161 161 16240 1 . HIS 162 162 16240 1 . ASP 163 163 16240 1 . HIS 164 164 16240 1 . ASP 165 165 16240 1 . GLY 166 166 16240 1 . CYS 167 167 16240 1 . CYS 168 168 16240 1 . GLY 169 169 16240 1 . GLY 170 170 16240 1 . HIS 171 171 16240 1 . GLY 172 172 16240 1 . HIS 173 173 16240 1 . ASP 174 174 16240 1 . HIS 175 175 16240 1 . GLY 176 176 16240 1 . HIS 177 177 16240 1 . GLU 178 178 16240 1 . HIS 179 179 16240 1 . GLY 180 180 16240 1 . GLY 181 181 16240 1 . GLU 182 182 16240 1 . GLY 183 183 16240 1 . CYS 184 184 16240 1 . CYS 185 185 16240 1 . GLY 186 186 16240 1 . GLY 187 187 16240 1 . LYS 188 188 16240 1 . GLY 189 189 16240 1 . ASN 190 190 16240 1 . GLY 191 191 16240 1 . GLY 192 192 16240 1 . CYS 193 193 16240 1 . GLY 194 194 16240 1 . CYS 195 195 16240 1 . HIS 196 196 16240 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16240 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 16240 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 16240 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli M15 . . . . . . . . . . . . . . . pQE60 . . . . . . 16240 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16240 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . . 0.5 0.9 mM . . . . 16240 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 16240 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16240 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16240 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16240 _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' 100 . mM 16240 1 pH 7.25 . pH 16240 1 pressure 1.0 . atm 16240 1 temperature 298 . K 16240 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16240 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16240 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16240 1 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16240 _Software.ID 2 _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' . . 16240 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16240 2 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 16240 _Software.ID 3 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16240 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16240 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16240 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16240 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16240 4 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16240 _Software.ID 5 _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' . . 16240 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16240 5 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 16240 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16240 _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 16240 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 16240 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16240 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 16240 1 2 spectrometer_2 Bruker Avance . 600 . . . 16240 1 3 spectrometer_3 Varian INOVA . 800 . . . 16240 1 4 spectrometer_4 Varian INOVA . 600 . . . 16240 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 16240 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16240 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16240 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16240 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16240 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16240 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16240 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16240 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16240 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16240 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16240 1 11 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16240 1 12 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16240 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 16240 _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 . indirect 0.251449530 . . . . . . . . . 16240 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16240 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16240 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 16240 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16240 1 2 '2D 1H-13C HSQC' . . . 16240 1 3 '3D HNCA' . . . 16240 1 4 '3D HN(CO)CA' . . . 16240 1 5 '3D HNCACB' . . . 16240 1 6 '3D CBCA(CO)NH' . . . 16240 1 7 '3D HCCH-TOCSY' . . . 16240 1 8 '3D HNCO' . . . 16240 1 9 '3D 1H-15N NOESY' . . . 16240 1 10 '3D 1H-13C NOESY' . . . 16240 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 1 1 MET HA H 1 4.299 0.005 . 1 . . . . 1 MET HA . 16240 1 2 . 1 1 1 1 MET HB2 H 1 1.812 0.005 . 2 . . . . 1 MET HB2 . 16240 1 3 . 1 1 1 1 MET HB3 H 1 1.901 0.005 . 2 . . . . 1 MET HB3 . 16240 1 4 . 1 1 1 1 MET HE1 H 1 2.035 0.004 . 1 . . . . 1 MET HE1 . 16240 1 5 . 1 1 1 1 MET HE2 H 1 2.035 0.004 . 1 . . . . 1 MET HE1 . 16240 1 6 . 1 1 1 1 MET HE3 H 1 2.035 0.004 . 1 . . . . 1 MET HE1 . 16240 1 7 . 1 1 1 1 MET HG2 H 1 2.466 0.011 . 2 . . . . 1 MET HG2 . 16240 1 8 . 1 1 1 1 MET HG3 H 1 2.531 0.002 . 2 . . . . 1 MET HG3 . 16240 1 9 . 1 1 1 1 MET C C 13 174.341 0.005 . 1 . . . . 1 MET C . 16240 1 10 . 1 1 1 1 MET CA C 13 56.763 0.005 . 1 . . . . 1 MET CA . 16240 1 11 . 1 1 1 1 MET CB C 13 34.264 0.005 . 1 . . . . 1 MET CB . 16240 1 12 . 1 1 1 1 MET CE C 13 17.703 0.005 . 1 . . . . 1 MET CE . 16240 1 13 . 1 1 1 1 MET CG C 13 32.702 0.005 . 1 . . . . 1 MET CG . 16240 1 14 . 1 1 2 2 LYS H H 1 7.546 0.005 . 1 . . . . 2 LYS HN . 16240 1 15 . 1 1 2 2 LYS HA H 1 4.844 0.005 . 1 . . . . 2 LYS HA . 16240 1 16 . 1 1 2 2 LYS HB2 H 1 1.394 0.005 . 2 . . . . 2 LYS HB2 . 16240 1 17 . 1 1 2 2 LYS HD2 H 1 1.567 0.005 . 2 . . . . 2 LYS HD2 . 16240 1 18 . 1 1 2 2 LYS HE2 H 1 2.928 0.005 . 2 . . . . 2 LYS HE2 . 16240 1 19 . 1 1 2 2 LYS HG2 H 1 1.230 0.005 . 2 . . . . 2 LYS HG2 . 16240 1 20 . 1 1 2 2 LYS HG3 H 1 1.263 0.002 . 2 . . . . 2 LYS HG3 . 16240 1 21 . 1 1 2 2 LYS C C 13 176.340 0.005 . 1 . . . . 2 LYS C . 16240 1 22 . 1 1 2 2 LYS CA C 13 53.718 0.005 . 1 . . . . 2 LYS CA . 16240 1 23 . 1 1 2 2 LYS CB C 13 36.452 0.005 . 1 . . . . 2 LYS CB . 16240 1 24 . 1 1 2 2 LYS CD C 13 29.577 0.005 . 1 . . . . 2 LYS CD . 16240 1 25 . 1 1 2 2 LYS CE C 13 42.076 0.005 . 1 . . . . 2 LYS CE . 16240 1 26 . 1 1 2 2 LYS CG C 13 24.890 0.005 . 1 . . . . 2 LYS CG . 16240 1 27 . 1 1 2 2 LYS N N 15 119.825 0.005 . 1 . . . . 2 LYS N . 16240 1 28 . 1 1 3 3 VAL H H 1 8.834 0.005 . 1 . . . . 3 VAL HN . 16240 1 29 . 1 1 3 3 VAL HA H 1 2.874 0.001 . 1 . . . . 3 VAL HA . 16240 1 30 . 1 1 3 3 VAL HB H 1 2.066 0.005 . 1 . . . . 3 VAL HB . 16240 1 31 . 1 1 3 3 VAL HG11 H 1 0.064 0.002 . 2 . . . . 3 VAL HG11 . 16240 1 32 . 1 1 3 3 VAL HG12 H 1 0.064 0.002 . 2 . . . . 3 VAL HG11 . 16240 1 33 . 1 1 3 3 VAL HG13 H 1 0.064 0.002 . 2 . . . . 3 VAL HG11 . 16240 1 34 . 1 1 3 3 VAL HG21 H 1 0.893 0.005 . 2 . . . . 3 VAL HG21 . 16240 1 35 . 1 1 3 3 VAL HG22 H 1 0.893 0.005 . 2 . . . . 3 VAL HG21 . 16240 1 36 . 1 1 3 3 VAL HG23 H 1 0.893 0.005 . 2 . . . . 3 VAL HG21 . 16240 1 37 . 1 1 3 3 VAL C C 13 175.062 0.005 . 1 . . . . 3 VAL C . 16240 1 38 . 1 1 3 3 VAL CA C 13 66.450 0.005 . 1 . . . . 3 VAL CA . 16240 1 39 . 1 1 3 3 VAL CB C 13 31.140 0.005 . 1 . . . . 3 VAL CB . 16240 1 40 . 1 1 3 3 VAL CG1 C 13 21.453 0.005 . 2 . . . . 3 VAL CG1 . 16240 1 41 . 1 1 3 3 VAL CG2 C 13 22.078 0.005 . 2 . . . . 3 VAL CG2 . 16240 1 42 . 1 1 3 3 VAL N N 15 120.082 0.005 . 1 . . . . 3 VAL N . 16240 1 43 . 1 1 4 4 ALA H H 1 6.691 0.005 . 1 . . . . 4 ALA HN . 16240 1 44 . 1 1 4 4 ALA HA H 1 4.303 0.002 . 1 . . . . 4 ALA HA . 16240 1 45 . 1 1 4 4 ALA HB1 H 1 1.323 0.004 . 1 . . . . 4 ALA HB1 . 16240 1 46 . 1 1 4 4 ALA HB2 H 1 1.323 0.004 . 1 . . . . 4 ALA HB1 . 16240 1 47 . 1 1 4 4 ALA HB3 H 1 1.323 0.004 . 1 . . . . 4 ALA HB1 . 16240 1 48 . 1 1 4 4 ALA C C 13 174.248 0.005 . 1 . . . . 4 ALA C . 16240 1 49 . 1 1 4 4 ALA CA C 13 50.513 0.005 . 1 . . . . 4 ALA CA . 16240 1 50 . 1 1 4 4 ALA CB C 13 22.078 0.005 . 1 . . . . 4 ALA CB . 16240 1 51 . 1 1 4 4 ALA N N 15 129.329 0.005 . 1 . . . . 4 ALA N . 16240 1 52 . 1 1 5 5 LYS H H 1 8.681 0.005 . 1 . . . . 5 LYS HN . 16240 1 53 . 1 1 5 5 LYS HA H 1 3.865 0.005 . 1 . . . . 5 LYS HA . 16240 1 54 . 1 1 5 5 LYS HB2 H 1 1.947 0.006 . 2 . . . . 5 LYS HB2 . 16240 1 55 . 1 1 5 5 LYS HB3 H 1 1.776 0.001 . 2 . . . . 5 LYS HB3 . 16240 1 56 . 1 1 5 5 LYS HD2 H 1 1.727 0.002 . 2 . . . . 5 LYS HD2 . 16240 1 57 . 1 1 5 5 LYS HE2 H 1 2.852 0.008 . 2 . . . . 5 LYS HE2 . 16240 1 58 . 1 1 5 5 LYS HG2 H 1 1.415 0.005 . 2 . . . . 5 LYS HG2 . 16240 1 59 . 1 1 5 5 LYS HG3 H 1 1.495 0.003 . 2 . . . . 5 LYS HG3 . 16240 1 60 . 1 1 5 5 LYS C C 13 175.271 0.005 . 1 . . . . 5 LYS C . 16240 1 61 . 1 1 5 5 LYS CA C 13 57.700 0.005 . 1 . . . . 5 LYS CA . 16240 1 62 . 1 1 5 5 LYS CB C 13 32.390 0.005 . 1 . . . . 5 LYS CB . 16240 1 63 . 1 1 5 5 LYS CD C 13 29.577 0.005 . 1 . . . . 5 LYS CD . 16240 1 64 . 1 1 5 5 LYS CE C 13 42.076 0.005 . 1 . . . . 5 LYS CE . 16240 1 65 . 1 1 5 5 LYS CG C 13 24.890 0.005 . 1 . . . . 5 LYS CG . 16240 1 66 . 1 1 5 5 LYS N N 15 118.284 0.005 . 1 . . . . 5 LYS N . 16240 1 67 . 1 1 6 6 ASP H H 1 8.799 0.005 . 1 . . . . 6 ASP HN . 16240 1 68 . 1 1 6 6 ASP HA H 1 4.141 0.002 . 1 . . . . 6 ASP HA . 16240 1 69 . 1 1 6 6 ASP HB2 H 1 3.050 0.005 . 2 . . . . 6 ASP HB2 . 16240 1 70 . 1 1 6 6 ASP HB3 H 1 3.288 0.005 . 2 . . . . 6 ASP HB3 . 16240 1 71 . 1 1 6 6 ASP C C 13 173.435 0.005 . 1 . . . . 6 ASP C . 16240 1 72 . 1 1 6 6 ASP CA C 13 57.700 0.005 . 1 . . . . 6 ASP CA . 16240 1 73 . 1 1 6 6 ASP CB C 13 37.702 0.005 . 1 . . . . 6 ASP CB . 16240 1 74 . 1 1 6 6 ASP N N 15 115.201 0.005 . 1 . . . . 6 ASP N . 16240 1 75 . 1 1 7 7 LEU H H 1 7.481 0.005 . 1 . . . . 7 LEU HN . 16240 1 76 . 1 1 7 7 LEU HA H 1 4.745 0.005 . 1 . . . . 7 LEU HA . 16240 1 77 . 1 1 7 7 LEU HB2 H 1 1.263 0.001 . 2 . . . . 7 LEU HB2 . 16240 1 78 . 1 1 7 7 LEU HB3 H 1 1.627 0.002 . 2 . . . . 7 LEU HB3 . 16240 1 79 . 1 1 7 7 LEU HD11 H 1 0.554 0.003 . 2 . . . . 7 LEU HD11 . 16240 1 80 . 1 1 7 7 LEU HD12 H 1 0.554 0.003 . 2 . . . . 7 LEU HD11 . 16240 1 81 . 1 1 7 7 LEU HD13 H 1 0.554 0.003 . 2 . . . . 7 LEU HD11 . 16240 1 82 . 1 1 7 7 LEU HD21 H 1 0.602 0.005 . 2 . . . . 7 LEU HD21 . 16240 1 83 . 1 1 7 7 LEU HD22 H 1 0.602 0.005 . 2 . . . . 7 LEU HD21 . 16240 1 84 . 1 1 7 7 LEU HD23 H 1 0.602 0.005 . 2 . . . . 7 LEU HD21 . 16240 1 85 . 1 1 7 7 LEU HG H 1 1.800 0.001 . 1 . . . . 7 LEU HG . 16240 1 86 . 1 1 7 7 LEU C C 13 175.945 0.005 . 1 . . . . 7 LEU C . 16240 1 87 . 1 1 7 7 LEU CA C 13 53.587 0.005 . 1 . . . . 7 LEU CA . 16240 1 88 . 1 1 7 7 LEU CB C 13 42.701 0.005 . 1 . . . . 7 LEU CB . 16240 1 89 . 1 1 7 7 LEU CD1 C 13 23.328 0.005 . 2 . . . . 7 LEU CD1 . 16240 1 90 . 1 1 7 7 LEU CD2 C 13 27.702 0.005 . 2 . . . . 7 LEU CD2 . 16240 1 91 . 1 1 7 7 LEU CG C 13 26.765 0.005 . 1 . . . . 7 LEU CG . 16240 1 92 . 1 1 7 7 LEU N N 15 117.000 0.005 . 1 . . . . 7 LEU N . 16240 1 93 . 1 1 8 8 VAL H H 1 8.747 0.005 . 1 . . . . 8 VAL HN . 16240 1 94 . 1 1 8 8 VAL HA H 1 4.460 0.005 . 1 . . . . 8 VAL HA . 16240 1 95 . 1 1 8 8 VAL HB H 1 1.700 0.002 . 1 . . . . 8 VAL HB . 16240 1 96 . 1 1 8 8 VAL HG11 H 1 0.574 0.005 . 2 . . . . 8 VAL HG11 . 16240 1 97 . 1 1 8 8 VAL HG12 H 1 0.574 0.005 . 2 . . . . 8 VAL HG11 . 16240 1 98 . 1 1 8 8 VAL HG13 H 1 0.574 0.005 . 2 . . . . 8 VAL HG11 . 16240 1 99 . 1 1 8 8 VAL HG21 H 1 0.708 0.001 . 2 . . . . 8 VAL HG21 . 16240 1 100 . 1 1 8 8 VAL HG22 H 1 0.708 0.001 . 2 . . . . 8 VAL HG21 . 16240 1 101 . 1 1 8 8 VAL HG23 H 1 0.708 0.001 . 2 . . . . 8 VAL HG21 . 16240 1 102 . 1 1 8 8 VAL C C 13 175.247 0.005 . 1 . . . . 8 VAL C . 16240 1 103 . 1 1 8 8 VAL CA C 13 62.075 0.005 . 1 . . . . 8 VAL CA . 16240 1 104 . 1 1 8 8 VAL CB C 13 31.452 0.005 . 1 . . . . 8 VAL CB . 16240 1 105 . 1 1 8 8 VAL CG1 C 13 20.203 0.005 . 2 . . . . 8 VAL CG1 . 16240 1 106 . 1 1 8 8 VAL CG2 C 13 22.078 0.005 . 2 . . . . 8 VAL CG2 . 16240 1 107 . 1 1 8 8 VAL N N 15 120.596 0.005 . 1 . . . . 8 VAL N . 16240 1 108 . 1 1 9 9 VAL H H 1 8.724 0.005 . 1 . . . . 9 VAL HN . 16240 1 109 . 1 1 9 9 VAL HA H 1 4.352 0.005 . 1 . . . . 9 VAL HA . 16240 1 110 . 1 1 9 9 VAL HB H 1 2.003 0.002 . 1 . . . . 9 VAL HB . 16240 1 111 . 1 1 9 9 VAL HG11 H 1 1.081 0.002 . 2 . . . . 9 VAL HG11 . 16240 1 112 . 1 1 9 9 VAL HG12 H 1 1.081 0.002 . 2 . . . . 9 VAL HG11 . 16240 1 113 . 1 1 9 9 VAL HG13 H 1 1.081 0.002 . 2 . . . . 9 VAL HG11 . 16240 1 114 . 1 1 9 9 VAL HG21 H 1 0.836 0.002 . 2 . . . . 9 VAL HG21 . 16240 1 115 . 1 1 9 9 VAL HG22 H 1 0.836 0.002 . 2 . . . . 9 VAL HG21 . 16240 1 116 . 1 1 9 9 VAL HG23 H 1 0.836 0.002 . 2 . . . . 9 VAL HG21 . 16240 1 117 . 1 1 9 9 VAL C C 13 174.248 0.005 . 1 . . . . 9 VAL C . 16240 1 118 . 1 1 9 9 VAL CA C 13 60.728 0.005 . 1 . . . . 9 VAL CA . 16240 1 119 . 1 1 9 9 VAL CB C 13 33.952 0.005 . 1 . . . . 9 VAL CB . 16240 1 120 . 1 1 9 9 VAL CG1 C 13 22.078 0.005 . 2 . . . . 9 VAL CG1 . 16240 1 121 . 1 1 9 9 VAL CG2 C 13 22.703 0.005 . 2 . . . . 9 VAL CG2 . 16240 1 122 . 1 1 9 9 VAL N N 15 133.439 0.005 . 1 . . . . 9 VAL N . 16240 1 123 . 1 1 10 10 SER H H 1 8.789 0.005 . 1 . . . . 10 SER HN . 16240 1 124 . 1 1 10 10 SER HA H 1 5.821 0.005 . 1 . . . . 10 SER HA . 16240 1 125 . 1 1 10 10 SER HB2 H 1 3.591 0.001 . 2 . . . . 10 SER HB2 . 16240 1 126 . 1 1 10 10 SER C C 13 173.621 0.005 . 1 . . . . 10 SER C . 16240 1 127 . 1 1 10 10 SER CA C 13 56.451 0.005 . 1 . . . . 10 SER CA . 16240 1 128 . 1 1 10 10 SER CB C 13 63.638 0.005 . 1 . . . . 10 SER CB . 16240 1 129 . 1 1 10 10 SER N N 15 121.109 0.005 . 1 . . . . 10 SER N . 16240 1 130 . 1 1 11 11 LEU H H 1 10.036 0.005 . 1 . . . . 11 LEU HN . 16240 1 131 . 1 1 11 11 LEU HA H 1 5.215 0.001 . 1 . . . . 11 LEU HA . 16240 1 132 . 1 1 11 11 LEU HB2 H 1 1.781 0.002 . 2 . . . . 11 LEU HB2 . 16240 1 133 . 1 1 11 11 LEU HB3 H 1 1.817 0.005 . 2 . . . . 11 LEU HB3 . 16240 1 134 . 1 1 11 11 LEU HD11 H 1 0.810 0.002 . 2 . . . . 11 LEU HD11 . 16240 1 135 . 1 1 11 11 LEU HD12 H 1 0.810 0.002 . 2 . . . . 11 LEU HD11 . 16240 1 136 . 1 1 11 11 LEU HD13 H 1 0.810 0.002 . 2 . . . . 11 LEU HD11 . 16240 1 137 . 1 1 11 11 LEU HD21 H 1 0.807 0.003 . 2 . . . . 11 LEU HD21 . 16240 1 138 . 1 1 11 11 LEU HD22 H 1 0.807 0.003 . 2 . . . . 11 LEU HD21 . 16240 1 139 . 1 1 11 11 LEU HD23 H 1 0.807 0.003 . 2 . . . . 11 LEU HD21 . 16240 1 140 . 1 1 11 11 LEU HG H 1 1.826 0.003 . 1 . . . . 11 LEU HG . 16240 1 141 . 1 1 11 11 LEU C C 13 174.945 0.005 . 1 . . . . 11 LEU C . 16240 1 142 . 1 1 11 11 LEU CA C 13 53.638 0.005 . 1 . . . . 11 LEU CA . 16240 1 143 . 1 1 11 11 LEU CB C 13 47.389 0.005 . 1 . . . . 11 LEU CB . 16240 1 144 . 1 1 11 11 LEU CD1 C 13 25.827 0.005 . 2 . . . . 11 LEU CD1 . 16240 1 145 . 1 1 11 11 LEU CD2 C 13 26.140 0.005 . 2 . . . . 11 LEU CD2 . 16240 1 146 . 1 1 11 11 LEU CG C 13 26.765 0.005 . 1 . . . . 11 LEU CG . 16240 1 147 . 1 1 11 11 LEU N N 15 127.788 0.005 . 1 . . . . 11 LEU N . 16240 1 148 . 1 1 12 12 ALA H H 1 8.867 0.005 . 1 . . . . 12 ALA HN . 16240 1 149 . 1 1 12 12 ALA HA H 1 4.913 0.001 . 1 . . . . 12 ALA HA . 16240 1 150 . 1 1 12 12 ALA HB1 H 1 1.215 0.007 . 1 . . . . 12 ALA HB1 . 16240 1 151 . 1 1 12 12 ALA HB2 H 1 1.215 0.007 . 1 . . . . 12 ALA HB1 . 16240 1 152 . 1 1 12 12 ALA HB3 H 1 1.215 0.007 . 1 . . . . 12 ALA HB1 . 16240 1 153 . 1 1 12 12 ALA C C 13 176.585 0.005 . 1 . . . . 12 ALA C . 16240 1 154 . 1 1 12 12 ALA CA C 13 50.201 0.005 . 1 . . . . 12 ALA CA . 16240 1 155 . 1 1 12 12 ALA CB C 13 21.140 0.005 . 1 . . . . 12 ALA CB . 16240 1 156 . 1 1 12 12 ALA N N 15 127.017 0.005 . 1 . . . . 12 ALA N . 16240 1 157 . 1 1 13 13 TYR H H 1 8.720 0.005 . 1 . . . . 13 TYR HN . 16240 1 158 . 1 1 13 13 TYR HA H 1 5.895 0.004 . 1 . . . . 13 TYR HA . 16240 1 159 . 1 1 13 13 TYR HB2 H 1 3.028 0.001 . 2 . . . . 13 TYR HB2 . 16240 1 160 . 1 1 13 13 TYR HB3 H 1 3.155 0.002 . 2 . . . . 13 TYR HB3 . 16240 1 161 . 1 1 13 13 TYR HD1 H 1 6.687 0.005 . 3 . . . . 13 TYR HD1 . 16240 1 162 . 1 1 13 13 TYR HE1 H 1 6.734 0.005 . 3 . . . . 13 TYR HE1 . 16240 1 163 . 1 1 13 13 TYR C C 13 174.054 0.005 . 1 . . . . 13 TYR C . 16240 1 164 . 1 1 13 13 TYR CA C 13 56.451 0.005 . 1 . . . . 13 TYR CA . 16240 1 165 . 1 1 13 13 TYR CB C 13 41.451 0.005 . 1 . . . . 13 TYR CB . 16240 1 166 . 1 1 13 13 TYR CD1 C 13 132.152 0.005 . 3 . . . . 13 TYR CD1 . 16240 1 167 . 1 1 13 13 TYR CE1 C 13 117.671 0.005 . 3 . . . . 13 TYR CE1 . 16240 1 168 . 1 1 13 13 TYR N N 15 117.000 0.005 . 1 . . . . 13 TYR N . 16240 1 169 . 1 1 14 14 GLN H H 1 8.596 0.005 . 1 . . . . 14 GLN HN . 16240 1 170 . 1 1 14 14 GLN HA H 1 4.571 0.005 . 1 . . . . 14 GLN HA . 16240 1 171 . 1 1 14 14 GLN HG2 H 1 2.373 0.001 . 2 . . . . 14 GLN HG2 . 16240 1 172 . 1 1 14 14 GLN HG3 H 1 2.573 0.005 . 2 . . . . 14 GLN HG3 . 16240 1 173 . 1 1 14 14 GLN C C 13 174.532 0.005 . 1 . . . . 14 GLN C . 16240 1 174 . 1 1 14 14 GLN CA C 13 55.707 0.005 . 1 . . . . 14 GLN CA . 16240 1 175 . 1 1 14 14 GLN CB C 13 33.102 0.005 . 1 . . . . 14 GLN CB . 16240 1 176 . 1 1 14 14 GLN CG C 13 34.577 0.005 . 1 . . . . 14 GLN CG . 16240 1 177 . 1 1 14 14 GLN N N 15 116.486 0.005 . 1 . . . . 14 GLN N . 16240 1 178 . 1 1 15 15 VAL H H 1 8.529 0.005 . 1 . . . . 15 VAL HN . 16240 1 179 . 1 1 15 15 VAL HA H 1 4.708 0.005 . 1 . . . . 15 VAL HA . 16240 1 180 . 1 1 15 15 VAL HB H 1 2.043 0.262 . 1 . . . . 15 VAL HB . 16240 1 181 . 1 1 15 15 VAL HG11 H 1 0.306 0.003 . 2 . . . . 15 VAL HG11 . 16240 1 182 . 1 1 15 15 VAL HG12 H 1 0.306 0.003 . 2 . . . . 15 VAL HG11 . 16240 1 183 . 1 1 15 15 VAL HG13 H 1 0.306 0.003 . 2 . . . . 15 VAL HG11 . 16240 1 184 . 1 1 15 15 VAL HG21 H 1 0.615 0.001 . 2 . . . . 15 VAL HG21 . 16240 1 185 . 1 1 15 15 VAL HG22 H 1 0.615 0.001 . 2 . . . . 15 VAL HG21 . 16240 1 186 . 1 1 15 15 VAL HG23 H 1 0.615 0.001 . 2 . . . . 15 VAL HG21 . 16240 1 187 . 1 1 15 15 VAL C C 13 173.481 0.005 . 1 . . . . 15 VAL C . 16240 1 188 . 1 1 15 15 VAL CA C 13 59.718 0.005 . 1 . . . . 15 VAL CA . 16240 1 189 . 1 1 15 15 VAL CB C 13 33.483 0.156 . 1 . . . . 15 VAL CB . 16240 1 190 . 1 1 15 15 VAL CG1 C 13 22.703 0.005 . 2 . . . . 15 VAL CG1 . 16240 1 191 . 1 1 15 15 VAL CG2 C 13 20.515 0.005 . 2 . . . . 15 VAL CG2 . 16240 1 192 . 1 1 15 15 VAL N N 15 120.596 0.005 . 1 . . . . 15 VAL N . 16240 1 193 . 1 1 16 16 ARG H H 1 8.695 0.005 . 1 . . . . 16 ARG HN . 16240 1 194 . 1 1 16 16 ARG HA H 1 5.661 0.001 . 1 . . . . 16 ARG HA . 16240 1 195 . 1 1 16 16 ARG HB2 H 1 1.363 0.005 . 2 . . . . 16 ARG HB2 . 16240 1 196 . 1 1 16 16 ARG HB3 H 1 1.588 0.001 . 2 . . . . 16 ARG HB3 . 16240 1 197 . 1 1 16 16 ARG HD2 H 1 2.938 0.005 . 2 . . . . 16 ARG HD2 . 16240 1 198 . 1 1 16 16 ARG HD3 H 1 3.044 0.001 . 2 . . . . 16 ARG HD3 . 16240 1 199 . 1 1 16 16 ARG C C 13 176.697 0.005 . 1 . . . . 16 ARG C . 16240 1 200 . 1 1 16 16 ARG CA C 13 53.638 0.005 . 1 . . . . 16 ARG CA . 16240 1 201 . 1 1 16 16 ARG CB C 13 34.889 0.005 . 1 . . . . 16 ARG CB . 16240 1 202 . 1 1 16 16 ARG CD C 13 42.701 0.005 . 1 . . . . 16 ARG CD . 16240 1 203 . 1 1 16 16 ARG N N 15 126.247 0.005 . 1 . . . . 16 ARG N . 16240 1 204 . 1 1 17 17 THR H H 1 8.383 0.005 . 1 . . . . 17 THR HN . 16240 1 205 . 1 1 17 17 THR HA H 1 4.650 0.008 . 1 . . . . 17 THR HA . 16240 1 206 . 1 1 17 17 THR HB H 1 4.809 0.005 . 1 . . . . 17 THR HB . 16240 1 207 . 1 1 17 17 THR HG21 H 1 1.158 0.001 . 1 . . . . 17 THR HG21 . 16240 1 208 . 1 1 17 17 THR HG22 H 1 1.158 0.001 . 1 . . . . 17 THR HG21 . 16240 1 209 . 1 1 17 17 THR HG23 H 1 1.158 0.001 . 1 . . . . 17 THR HG21 . 16240 1 210 . 1 1 17 17 THR C C 13 177.874 0.005 . 1 . . . . 17 THR C . 16240 1 211 . 1 1 17 17 THR CA C 13 61.138 0.005 . 1 . . . . 17 THR CA . 16240 1 212 . 1 1 17 17 THR CB C 13 70.221 0.005 . 1 . . . . 17 THR CB . 16240 1 213 . 1 1 17 17 THR CG2 C 13 23.328 0.005 . 1 . . . . 17 THR CG2 . 16240 1 214 . 1 1 17 17 THR N N 15 109.293 0.005 . 1 . . . . 17 THR N . 16240 1 215 . 1 1 18 18 GLU H H 1 9.224 0.005 . 1 . . . . 18 GLU HN . 16240 1 216 . 1 1 18 18 GLU HA H 1 3.878 0.005 . 1 . . . . 18 GLU HA . 16240 1 217 . 1 1 18 18 GLU HB2 H 1 2.095 0.001 . 2 . . . . 18 GLU HB2 . 16240 1 218 . 1 1 18 18 GLU HB3 H 1 2.113 0.005 . 2 . . . . 18 GLU HB3 . 16240 1 219 . 1 1 18 18 GLU HG2 H 1 2.273 0.005 . 2 . . . . 18 GLU HG2 . 16240 1 220 . 1 1 18 18 GLU HG3 H 1 2.391 0.005 . 2 . . . . 18 GLU HG3 . 16240 1 221 . 1 1 18 18 GLU C C 13 176.754 0.005 . 1 . . . . 18 GLU C . 16240 1 222 . 1 1 18 18 GLU CA C 13 59.888 0.005 . 1 . . . . 18 GLU CA . 16240 1 223 . 1 1 18 18 GLU CB C 13 29.577 0.005 . 1 . . . . 18 GLU CB . 16240 1 224 . 1 1 18 18 GLU CG C 13 37.389 0.005 . 1 . . . . 18 GLU CG . 16240 1 225 . 1 1 18 18 GLU N N 15 121.880 0.005 . 1 . . . . 18 GLU N . 16240 1 226 . 1 1 19 19 ASP H H 1 8.002 0.005 . 1 . . . . 19 ASP HN . 16240 1 227 . 1 1 19 19 ASP HA H 1 4.533 0.005 . 1 . . . . 19 ASP HA . 16240 1 228 . 1 1 19 19 ASP HB2 H 1 2.733 0.002 . 2 . . . . 19 ASP HB2 . 16240 1 229 . 1 1 19 19 ASP C C 13 174.560 0.005 . 1 . . . . 19 ASP C . 16240 1 230 . 1 1 19 19 ASP CA C 13 53.638 0.005 . 1 . . . . 19 ASP CA . 16240 1 231 . 1 1 19 19 ASP CB C 13 40.202 0.005 . 1 . . . . 19 ASP CB . 16240 1 232 . 1 1 19 19 ASP N N 15 115.458 0.005 . 1 . . . . 19 ASP N . 16240 1 233 . 1 1 20 20 GLY H H 1 8.223 0.005 . 1 . . . . 20 GLY HN . 16240 1 234 . 1 1 20 20 GLY HA2 H 1 3.620 0.036 . 2 . . . . 20 GLY HA2 . 16240 1 235 . 1 1 20 20 GLY HA3 H 1 4.236 0.005 . 2 . . . . 20 GLY HA3 . 16240 1 236 . 1 1 20 20 GLY C C 13 174.054 0.005 . 1 . . . . 20 GLY C . 16240 1 237 . 1 1 20 20 GLY CA C 13 45.618 0.147 . 1 . . . . 20 GLY CA . 16240 1 238 . 1 1 20 20 GLY N N 15 108.523 0.005 . 1 . . . . 20 GLY N . 16240 1 239 . 1 1 21 21 VAL H H 1 7.359 0.005 . 1 . . . . 21 VAL HN . 16240 1 240 . 1 1 21 21 VAL HA H 1 3.733 0.002 . 1 . . . . 21 VAL HA . 16240 1 241 . 1 1 21 21 VAL HB H 1 2.000 0.001 . 1 . . . . 21 VAL HB . 16240 1 242 . 1 1 21 21 VAL HG11 H 1 0.760 0.001 . 2 . . . . 21 VAL HG11 . 16240 1 243 . 1 1 21 21 VAL HG12 H 1 0.760 0.001 . 2 . . . . 21 VAL HG11 . 16240 1 244 . 1 1 21 21 VAL HG13 H 1 0.760 0.001 . 2 . . . . 21 VAL HG11 . 16240 1 245 . 1 1 21 21 VAL HG21 H 1 0.796 0.001 . 2 . . . . 21 VAL HG21 . 16240 1 246 . 1 1 21 21 VAL HG22 H 1 0.796 0.001 . 2 . . . . 21 VAL HG21 . 16240 1 247 . 1 1 21 21 VAL HG23 H 1 0.796 0.001 . 2 . . . . 21 VAL HG21 . 16240 1 248 . 1 1 21 21 VAL C C 13 175.364 0.005 . 1 . . . . 21 VAL C . 16240 1 249 . 1 1 21 21 VAL CA C 13 63.325 0.005 . 1 . . . . 21 VAL CA . 16240 1 250 . 1 1 21 21 VAL CB C 13 31.765 0.005 . 1 . . . . 21 VAL CB . 16240 1 251 . 1 1 21 21 VAL CG1 C 13 22.078 0.005 . 2 . . . . 21 VAL CG1 . 16240 1 252 . 1 1 21 21 VAL CG2 C 13 20.828 0.005 . 2 . . . . 21 VAL CG2 . 16240 1 253 . 1 1 21 21 VAL N N 15 123.678 0.005 . 1 . . . . 21 VAL N . 16240 1 254 . 1 1 22 22 LEU H H 1 8.498 0.005 . 1 . . . . 22 LEU HN . 16240 1 255 . 1 1 22 22 LEU HA H 1 4.424 0.003 . 1 . . . . 22 LEU HA . 16240 1 256 . 1 1 22 22 LEU HB2 H 1 1.292 0.005 . 2 . . . . 22 LEU HB2 . 16240 1 257 . 1 1 22 22 LEU HB3 H 1 1.856 0.002 . 2 . . . . 22 LEU HB3 . 16240 1 258 . 1 1 22 22 LEU HD11 H 1 0.786 0.005 . 2 . . . . 22 LEU HD11 . 16240 1 259 . 1 1 22 22 LEU HD12 H 1 0.786 0.005 . 2 . . . . 22 LEU HD11 . 16240 1 260 . 1 1 22 22 LEU HD13 H 1 0.786 0.005 . 2 . . . . 22 LEU HD11 . 16240 1 261 . 1 1 22 22 LEU HG H 1 1.339 0.004 . 1 . . . . 22 LEU HG . 16240 1 262 . 1 1 22 22 LEU C C 13 176.665 0.005 . 1 . . . . 22 LEU C . 16240 1 263 . 1 1 22 22 LEU CA C 13 55.826 0.005 . 1 . . . . 22 LEU CA . 16240 1 264 . 1 1 22 22 LEU CB C 13 42.389 0.005 . 1 . . . . 22 LEU CB . 16240 1 265 . 1 1 22 22 LEU CD1 C 13 20.828 0.005 . 2 . . . . 22 LEU CD1 . 16240 1 266 . 1 1 22 22 LEU CG C 13 27.077 0.005 . 1 . . . . 22 LEU CG . 16240 1 267 . 1 1 22 22 LEU N N 15 128.045 0.005 . 1 . . . . 22 LEU N . 16240 1 268 . 1 1 23 23 VAL H H 1 8.991 0.005 . 1 . . . . 23 VAL HN . 16240 1 269 . 1 1 23 23 VAL HA H 1 4.303 0.002 . 1 . . . . 23 VAL HA . 16240 1 270 . 1 1 23 23 VAL HB H 1 2.046 0.001 . 1 . . . . 23 VAL HB . 16240 1 271 . 1 1 23 23 VAL HG11 H 1 0.794 0.005 . 2 . . . . 23 VAL HG11 . 16240 1 272 . 1 1 23 23 VAL HG12 H 1 0.794 0.005 . 2 . . . . 23 VAL HG11 . 16240 1 273 . 1 1 23 23 VAL HG13 H 1 0.794 0.005 . 2 . . . . 23 VAL HG11 . 16240 1 274 . 1 1 23 23 VAL C C 13 175.347 0.005 . 1 . . . . 23 VAL C . 16240 1 275 . 1 1 23 23 VAL CA C 13 62.388 0.005 . 1 . . . . 23 VAL CA . 16240 1 276 . 1 1 23 23 VAL CB C 13 33.015 0.005 . 1 . . . . 23 VAL CB . 16240 1 277 . 1 1 23 23 VAL CG1 C 13 20.203 0.005 . 2 . . . . 23 VAL CG1 . 16240 1 278 . 1 1 23 23 VAL N N 15 124.706 0.005 . 1 . . . . 23 VAL N . 16240 1 279 . 1 1 24 24 ASP H H 1 7.579 0.005 . 1 . . . . 24 ASP HN . 16240 1 280 . 1 1 24 24 ASP HA H 1 4.807 0.005 . 1 . . . . 24 ASP HA . 16240 1 281 . 1 1 24 24 ASP HB2 H 1 2.389 0.002 . 2 . . . . 24 ASP HB2 . 16240 1 282 . 1 1 24 24 ASP HB3 H 1 2.929 0.005 . 2 . . . . 24 ASP HB3 . 16240 1 283 . 1 1 24 24 ASP C C 13 173.225 0.005 . 1 . . . . 24 ASP C . 16240 1 284 . 1 1 24 24 ASP CA C 13 53.881 0.005 . 1 . . . . 24 ASP CA . 16240 1 285 . 1 1 24 24 ASP CB C 13 43.639 0.005 . 1 . . . . 24 ASP CB . 16240 1 286 . 1 1 24 24 ASP N N 15 116.486 0.005 . 1 . . . . 24 ASP N . 16240 1 287 . 1 1 25 25 GLU H H 1 8.283 0.005 . 1 . . . . 25 GLU HN . 16240 1 288 . 1 1 25 25 GLU HA H 1 4.565 0.001 . 1 . . . . 25 GLU HA . 16240 1 289 . 1 1 25 25 GLU HB2 H 1 2.064 0.007 . 2 . . . . 25 GLU HB2 . 16240 1 290 . 1 1 25 25 GLU HB3 H 1 2.113 0.002 . 2 . . . . 25 GLU HB3 . 16240 1 291 . 1 1 25 25 GLU HG2 H 1 1.936 0.002 . 2 . . . . 25 GLU HG2 . 16240 1 292 . 1 1 25 25 GLU HG3 H 1 2.051 0.002 . 2 . . . . 25 GLU HG3 . 16240 1 293 . 1 1 25 25 GLU C C 13 177.598 0.005 . 1 . . . . 25 GLU C . 16240 1 294 . 1 1 25 25 GLU CA C 13 55.513 0.005 . 1 . . . . 25 GLU CA . 16240 1 295 . 1 1 25 25 GLU CB C 13 33.327 0.005 . 1 . . . . 25 GLU CB . 16240 1 296 . 1 1 25 25 GLU CG C 13 34.577 0.005 . 1 . . . . 25 GLU CG . 16240 1 297 . 1 1 25 25 GLU N N 15 118.284 0.005 . 1 . . . . 25 GLU N . 16240 1 298 . 1 1 26 26 SER H H 1 8.062 0.005 . 1 . . . . 26 SER HN . 16240 1 299 . 1 1 26 26 SER HA H 1 4.835 0.005 . 1 . . . . 26 SER HA . 16240 1 300 . 1 1 26 26 SER HB2 H 1 3.537 0.001 . 2 . . . . 26 SER HB2 . 16240 1 301 . 1 1 26 26 SER HB3 H 1 3.945 0.001 . 2 . . . . 26 SER HB3 . 16240 1 302 . 1 1 26 26 SER CA C 13 55.961 0.005 . 1 . . . . 26 SER CA . 16240 1 303 . 1 1 26 26 SER CB C 13 65.200 0.005 . 1 . . . . 26 SER CB . 16240 1 304 . 1 1 26 26 SER N N 15 118.798 0.005 . 1 . . . . 26 SER N . 16240 1 305 . 1 1 27 27 PRO HA H 1 4.697 0.005 . 1 . . . . 27 PRO HA . 16240 1 306 . 1 1 27 27 PRO HB2 H 1 2.097 0.003 . 2 . . . . 27 PRO HB2 . 16240 1 307 . 1 1 27 27 PRO HB3 H 1 2.208 0.002 . 2 . . . . 27 PRO HB3 . 16240 1 308 . 1 1 27 27 PRO HD2 H 1 3.613 0.005 . 2 . . . . 27 PRO HD2 . 16240 1 309 . 1 1 27 27 PRO HD3 H 1 3.901 0.003 . 2 . . . . 27 PRO HD3 . 16240 1 310 . 1 1 27 27 PRO HG2 H 1 1.856 0.001 . 2 . . . . 27 PRO HG2 . 16240 1 311 . 1 1 27 27 PRO HG3 H 1 1.975 0.005 . 2 . . . . 27 PRO HG3 . 16240 1 312 . 1 1 27 27 PRO C C 13 177.130 0.005 . 1 . . . . 27 PRO C . 16240 1 313 . 1 1 27 27 PRO CA C 13 61.946 0.005 . 1 . . . . 27 PRO CA . 16240 1 314 . 1 1 27 27 PRO CB C 13 33.015 0.005 . 1 . . . . 27 PRO CB . 16240 1 315 . 1 1 27 27 PRO CD C 13 50.513 0.005 . 1 . . . . 27 PRO CD . 16240 1 316 . 1 1 27 27 PRO CG C 13 26.765 0.005 . 1 . . . . 27 PRO CG . 16240 1 317 . 1 1 28 28 VAL H H 1 8.473 0.005 . 1 . . . . 28 VAL HN . 16240 1 318 . 1 1 28 28 VAL HA H 1 3.463 0.005 . 1 . . . . 28 VAL HA . 16240 1 319 . 1 1 28 28 VAL HB H 1 1.954 0.005 . 1 . . . . 28 VAL HB . 16240 1 320 . 1 1 28 28 VAL HG11 H 1 0.885 0.005 . 2 . . . . 28 VAL HG11 . 16240 1 321 . 1 1 28 28 VAL HG12 H 1 0.885 0.005 . 2 . . . . 28 VAL HG11 . 16240 1 322 . 1 1 28 28 VAL HG13 H 1 0.885 0.005 . 2 . . . . 28 VAL HG11 . 16240 1 323 . 1 1 28 28 VAL HG21 H 1 1.216 0.005 . 2 . . . . 28 VAL HG21 . 16240 1 324 . 1 1 28 28 VAL HG22 H 1 1.216 0.005 . 2 . . . . 28 VAL HG21 . 16240 1 325 . 1 1 28 28 VAL HG23 H 1 1.216 0.005 . 2 . . . . 28 VAL HG21 . 16240 1 326 . 1 1 28 28 VAL C C 13 176.107 0.005 . 1 . . . . 28 VAL C . 16240 1 327 . 1 1 28 28 VAL CA C 13 65.825 0.005 . 1 . . . . 28 VAL CA . 16240 1 328 . 1 1 28 28 VAL CB C 13 31.765 0.005 . 1 . . . . 28 VAL CB . 16240 1 329 . 1 1 28 28 VAL CG1 C 13 21.453 0.005 . 2 . . . . 28 VAL CG1 . 16240 1 330 . 1 1 28 28 VAL CG2 C 13 20.985 0.005 . 2 . . . . 28 VAL CG2 . 16240 1 331 . 1 1 28 28 VAL N N 15 118.798 0.005 . 1 . . . . 28 VAL N . 16240 1 332 . 1 1 29 29 SER H H 1 7.449 0.005 . 1 . . . . 29 SER HN . 16240 1 333 . 1 1 29 29 SER HA H 1 4.177 0.001 . 1 . . . . 29 SER HA . 16240 1 334 . 1 1 29 29 SER HB2 H 1 3.801 0.001 . 2 . . . . 29 SER HB2 . 16240 1 335 . 1 1 29 29 SER HB3 H 1 4.006 0.001 . 2 . . . . 29 SER HB3 . 16240 1 336 . 1 1 29 29 SER C C 13 174.672 0.005 . 1 . . . . 29 SER C . 16240 1 337 . 1 1 29 29 SER CA C 13 58.638 0.005 . 1 . . . . 29 SER CA . 16240 1 338 . 1 1 29 29 SER CB C 13 63.325 0.005 . 1 . . . . 29 SER CB . 16240 1 339 . 1 1 29 29 SER N N 15 108.780 0.005 . 1 . . . . 29 SER N . 16240 1 340 . 1 1 30 30 ALA H H 1 7.555 0.005 . 1 . . . . 30 ALA HN . 16240 1 341 . 1 1 30 30 ALA HA H 1 4.613 0.005 . 1 . . . . 30 ALA HA . 16240 1 342 . 1 1 30 30 ALA HB1 H 1 1.175 0.001 . 1 . . . . 30 ALA HB1 . 16240 1 343 . 1 1 30 30 ALA HB2 H 1 1.175 0.001 . 1 . . . . 30 ALA HB1 . 16240 1 344 . 1 1 30 30 ALA HB3 H 1 1.175 0.001 . 1 . . . . 30 ALA HB1 . 16240 1 345 . 1 1 30 30 ALA CA C 13 50.826 0.005 . 1 . . . . 30 ALA CA . 16240 1 346 . 1 1 30 30 ALA CB C 13 18.328 0.005 . 1 . . . . 30 ALA CB . 16240 1 347 . 1 1 30 30 ALA N N 15 125.476 0.005 . 1 . . . . 30 ALA N . 16240 1 348 . 1 1 31 31 PRO HA H 1 4.401 0.005 . 1 . . . . 31 PRO HA . 16240 1 349 . 1 1 31 31 PRO HB2 H 1 1.703 0.002 . 2 . . . . 31 PRO HB2 . 16240 1 350 . 1 1 31 31 PRO HB3 H 1 1.802 0.001 . 2 . . . . 31 PRO HB3 . 16240 1 351 . 1 1 31 31 PRO HD2 H 1 3.464 0.007 . 2 . . . . 31 PRO HD2 . 16240 1 352 . 1 1 31 31 PRO HD3 H 1 3.568 0.002 . 2 . . . . 31 PRO HD3 . 16240 1 353 . 1 1 31 31 PRO HG2 H 1 1.794 0.006 . 2 . . . . 31 PRO HG2 . 16240 1 354 . 1 1 31 31 PRO HG3 H 1 1.867 0.005 . 2 . . . . 31 PRO HG3 . 16240 1 355 . 1 1 31 31 PRO C C 13 175.898 0.005 . 1 . . . . 31 PRO C . 16240 1 356 . 1 1 31 31 PRO CA C 13 62.994 0.005 . 1 . . . . 31 PRO CA . 16240 1 357 . 1 1 31 31 PRO CB C 13 33.015 0.005 . 1 . . . . 31 PRO CB . 16240 1 358 . 1 1 31 31 PRO CD C 13 49.576 0.005 . 1 . . . . 31 PRO CD . 16240 1 359 . 1 1 31 31 PRO CG C 13 26.765 0.005 . 1 . . . . 31 PRO CG . 16240 1 360 . 1 1 32 32 LEU H H 1 8.823 0.005 . 1 . . . . 32 LEU HN . 16240 1 361 . 1 1 32 32 LEU HA H 1 4.533 0.005 . 1 . . . . 32 LEU HA . 16240 1 362 . 1 1 32 32 LEU HB2 H 1 1.840 0.003 . 2 . . . . 32 LEU HB2 . 16240 1 363 . 1 1 32 32 LEU HB3 H 1 2.029 0.002 . 2 . . . . 32 LEU HB3 . 16240 1 364 . 1 1 32 32 LEU HD11 H 1 0.842 0.002 . 2 . . . . 32 LEU HD11 . 16240 1 365 . 1 1 32 32 LEU HD12 H 1 0.842 0.002 . 2 . . . . 32 LEU HD11 . 16240 1 366 . 1 1 32 32 LEU HD13 H 1 0.842 0.002 . 2 . . . . 32 LEU HD11 . 16240 1 367 . 1 1 32 32 LEU HD21 H 1 1.007 0.001 . 2 . . . . 32 LEU HD21 . 16240 1 368 . 1 1 32 32 LEU HD22 H 1 1.007 0.001 . 2 . . . . 32 LEU HD21 . 16240 1 369 . 1 1 32 32 LEU HD23 H 1 1.007 0.001 . 2 . . . . 32 LEU HD21 . 16240 1 370 . 1 1 32 32 LEU HG H 1 1.566 0.003 . 1 . . . . 32 LEU HG . 16240 1 371 . 1 1 32 32 LEU C C 13 175.387 0.005 . 1 . . . . 32 LEU C . 16240 1 372 . 1 1 32 32 LEU CA C 13 54.888 0.005 . 1 . . . . 32 LEU CA . 16240 1 373 . 1 1 32 32 LEU CB C 13 43.951 0.005 . 1 . . . . 32 LEU CB . 16240 1 374 . 1 1 32 32 LEU CD1 C 13 26.452 0.005 . 2 . . . . 32 LEU CD1 . 16240 1 375 . 1 1 32 32 LEU CD2 C 13 24.265 0.005 . 2 . . . . 32 LEU CD2 . 16240 1 376 . 1 1 32 32 LEU CG C 13 27.390 0.005 . 1 . . . . 32 LEU CG . 16240 1 377 . 1 1 32 32 LEU N N 15 123.164 0.005 . 1 . . . . 32 LEU N . 16240 1 378 . 1 1 33 33 ASP H H 1 8.344 0.005 . 1 . . . . 33 ASP HN . 16240 1 379 . 1 1 33 33 ASP HA H 1 6.007 0.004 . 1 . . . . 33 ASP HA . 16240 1 380 . 1 1 33 33 ASP HB2 H 1 2.336 0.203 . 2 . . . . 33 ASP HB2 . 16240 1 381 . 1 1 33 33 ASP HB3 H 1 2.538 0.005 . 2 . . . . 33 ASP HB3 . 16240 1 382 . 1 1 33 33 ASP C C 13 175.945 0.005 . 1 . . . . 33 ASP C . 16240 1 383 . 1 1 33 33 ASP CA C 13 52.701 0.005 . 1 . . . . 33 ASP CA . 16240 1 384 . 1 1 33 33 ASP CB C 13 42.076 0.005 . 1 . . . . 33 ASP CB . 16240 1 385 . 1 1 33 33 ASP N N 15 127.788 0.005 . 1 . . . . 33 ASP N . 16240 1 386 . 1 1 34 34 TYR H H 1 9.256 0.005 . 1 . . . . 34 TYR HN . 16240 1 387 . 1 1 34 34 TYR HA H 1 4.745 0.005 . 1 . . . . 34 TYR HA . 16240 1 388 . 1 1 34 34 TYR HB2 H 1 2.798 0.004 . 2 . . . . 34 TYR HB2 . 16240 1 389 . 1 1 34 34 TYR HD1 H 1 6.799 0.005 . 3 . . . . 34 TYR HE1 . 16240 1 390 . 1 1 34 34 TYR CA C 13 56.019 0.005 . 1 . . . . 34 TYR CA . 16240 1 391 . 1 1 34 34 TYR CB C 13 42.076 0.005 . 1 . . . . 34 TYR CB . 16240 1 392 . 1 1 34 34 TYR CD1 C 13 131.986 0.005 . 3 . . . . 34 TYR CE1 . 16240 1 393 . 1 1 34 34 TYR N N 15 121.109 0.005 . 1 . . . . 34 TYR N . 16240 1 394 . 1 1 35 35 LEU H H 1 8.429 0.005 . 1 . . . . 35 LEU HN . 16240 1 395 . 1 1 35 35 LEU HA H 1 4.479 0.005 . 1 . . . . 35 LEU HA . 16240 1 396 . 1 1 35 35 LEU HB2 H 1 0.749 0.001 . 2 . . . . 35 LEU HB2 . 16240 1 397 . 1 1 35 35 LEU HB3 H 1 1.706 0.001 . 2 . . . . 35 LEU HB3 . 16240 1 398 . 1 1 35 35 LEU HD11 H 1 0.030 0.001 . 2 . . . . 35 LEU HD11 . 16240 1 399 . 1 1 35 35 LEU HD12 H 1 0.030 0.001 . 2 . . . . 35 LEU HD11 . 16240 1 400 . 1 1 35 35 LEU HD13 H 1 0.030 0.001 . 2 . . . . 35 LEU HD11 . 16240 1 401 . 1 1 35 35 LEU HD21 H 1 0.400 0.001 . 2 . . . . 35 LEU HD21 . 16240 1 402 . 1 1 35 35 LEU HD22 H 1 0.400 0.001 . 2 . . . . 35 LEU HD21 . 16240 1 403 . 1 1 35 35 LEU HD23 H 1 0.400 0.001 . 2 . . . . 35 LEU HD21 . 16240 1 404 . 1 1 35 35 LEU HG H 1 1.065 0.001 . 1 . . . . 35 LEU HG . 16240 1 405 . 1 1 35 35 LEU C C 13 173.063 0.005 . 1 . . . . 35 LEU C . 16240 1 406 . 1 1 35 35 LEU CA C 13 53.013 0.005 . 1 . . . . 35 LEU CA . 16240 1 407 . 1 1 35 35 LEU CB C 13 42.701 0.005 . 1 . . . . 35 LEU CB . 16240 1 408 . 1 1 35 35 LEU CD1 C 13 25.515 0.005 . 2 . . . . 35 LEU CD1 . 16240 1 409 . 1 1 35 35 LEU CD2 C 13 24.578 0.005 . 2 . . . . 35 LEU CD2 . 16240 1 410 . 1 1 35 35 LEU CG C 13 27.390 0.005 . 1 . . . . 35 LEU CG . 16240 1 411 . 1 1 35 35 LEU N N 15 123.935 0.005 . 1 . . . . 35 LEU N . 16240 1 412 . 1 1 36 36 HIS H H 1 8.837 0.005 . 1 . . . . 36 HIS HN . 16240 1 413 . 1 1 36 36 HIS HA H 1 4.467 0.005 . 1 . . . . 36 HIS HA . 16240 1 414 . 1 1 36 36 HIS HB2 H 1 2.610 0.005 . 2 . . . . 36 HIS HB2 . 16240 1 415 . 1 1 36 36 HIS HB3 H 1 3.401 0.002 . 2 . . . . 36 HIS HB3 . 16240 1 416 . 1 1 36 36 HIS HD2 H 1 6.760 0.005 . 1 . . . . 36 HIS HD2 . 16240 1 417 . 1 1 36 36 HIS CA C 13 59.575 0.005 . 1 . . . . 36 HIS CA . 16240 1 418 . 1 1 36 36 HIS CB C 13 31.452 0.005 . 1 . . . . 36 HIS CB . 16240 1 419 . 1 1 36 36 HIS CD2 C 13 119.169 0.005 . 1 . . . . 36 HIS CD2 . 16240 1 420 . 1 1 36 36 HIS N N 15 131.641 0.005 . 1 . . . . 36 HIS N . 16240 1 421 . 1 1 37 37 GLY H H 1 8.804 0.005 . 1 . . . . 37 GLY HN . 16240 1 422 . 1 1 37 37 GLY HA2 H 1 3.629 0.005 . 2 . . . . 37 GLY HA2 . 16240 1 423 . 1 1 37 37 GLY HA3 H 1 4.120 0.001 . 2 . . . . 37 GLY HA3 . 16240 1 424 . 1 1 37 37 GLY C C 13 175.178 0.005 . 1 . . . . 37 GLY C . 16240 1 425 . 1 1 37 37 GLY CA C 13 45.826 0.005 . 1 . . . . 37 GLY CA . 16240 1 426 . 1 1 37 37 GLY N N 15 116.962 0.005 . 1 . . . . 37 GLY N . 16240 1 427 . 1 1 38 38 HIS H H 1 8.667 0.005 . 1 . . . . 38 HIS HN . 16240 1 428 . 1 1 38 38 HIS HA H 1 4.666 0.002 . 1 . . . . 38 HIS HA . 16240 1 429 . 1 1 38 38 HIS HB2 H 1 2.828 0.001 . 2 . . . . 38 HIS HB2 . 16240 1 430 . 1 1 38 38 HIS HB3 H 1 3.674 0.003 . 2 . . . . 38 HIS HB3 . 16240 1 431 . 1 1 38 38 HIS HD2 H 1 7.069 0.005 . 1 . . . . 38 HIS HD2 . 16240 1 432 . 1 1 38 38 HIS HE1 H 1 8.383 0.005 . 1 . . . . 38 HIS HE1 . 16240 1 433 . 1 1 38 38 HIS C C 13 175.347 0.005 . 1 . . . . 38 HIS C . 16240 1 434 . 1 1 38 38 HIS CA C 13 56.138 0.005 . 1 . . . . 38 HIS CA . 16240 1 435 . 1 1 38 38 HIS CB C 13 30.827 0.005 . 1 . . . . 38 HIS CB . 16240 1 436 . 1 1 38 38 HIS CD2 C 13 118.336 0.005 . 1 . . . . 38 HIS CD2 . 16240 1 437 . 1 1 38 38 HIS CE1 C 13 136.301 0.005 . 1 . . . . 38 HIS CE1 . 16240 1 438 . 1 1 38 38 HIS N N 15 119.055 0.005 . 1 . . . . 38 HIS N . 16240 1 439 . 1 1 39 39 GLY H H 1 9.324 0.005 . 1 . . . . 39 GLY HN . 16240 1 440 . 1 1 39 39 GLY HA2 H 1 3.977 0.002 . 2 . . . . 39 GLY HA2 . 16240 1 441 . 1 1 39 39 GLY C C 13 175.572 0.005 . 1 . . . . 39 GLY C . 16240 1 442 . 1 1 39 39 GLY CA C 13 47.076 0.005 . 1 . . . . 39 GLY CA . 16240 1 443 . 1 1 39 39 GLY N N 15 116.486 0.005 . 1 . . . . 39 GLY N . 16240 1 444 . 1 1 40 40 SER H H 1 9.324 0.005 . 1 . . . . 40 SER HN . 16240 1 445 . 1 1 40 40 SER HA H 1 4.373 0.005 . 1 . . . . 40 SER HA . 16240 1 446 . 1 1 40 40 SER HB2 H 1 4.009 0.005 . 2 . . . . 40 SER HB2 . 16240 1 447 . 1 1 40 40 SER HB3 H 1 4.071 0.001 . 2 . . . . 40 SER HB3 . 16240 1 448 . 1 1 40 40 SER C C 13 175.685 0.005 . 1 . . . . 40 SER C . 16240 1 449 . 1 1 40 40 SER CA C 13 60.825 0.005 . 1 . . . . 40 SER CA . 16240 1 450 . 1 1 40 40 SER CB C 13 63.950 0.005 . 1 . . . . 40 SER CB . 16240 1 451 . 1 1 40 40 SER N N 15 116.486 0.005 . 1 . . . . 40 SER N . 16240 1 452 . 1 1 41 41 LEU H H 1 7.435 0.005 . 1 . . . . 41 LEU HN . 16240 1 453 . 1 1 41 41 LEU HA H 1 4.506 0.003 . 1 . . . . 41 LEU HA . 16240 1 454 . 1 1 41 41 LEU HB2 H 1 1.092 0.001 . 2 . . . . 41 LEU HB2 . 16240 1 455 . 1 1 41 41 LEU HB3 H 1 1.265 0.005 . 2 . . . . 41 LEU HB3 . 16240 1 456 . 1 1 41 41 LEU HD11 H 1 -0.194 0.001 . 2 . . . . 41 LEU HD11 . 16240 1 457 . 1 1 41 41 LEU HD12 H 1 -0.194 0.001 . 2 . . . . 41 LEU HD11 . 16240 1 458 . 1 1 41 41 LEU HD13 H 1 -0.194 0.001 . 2 . . . . 41 LEU HD11 . 16240 1 459 . 1 1 41 41 LEU HD21 H 1 0.115 0.001 . 2 . . . . 41 LEU HD21 . 16240 1 460 . 1 1 41 41 LEU HD22 H 1 0.115 0.001 . 2 . . . . 41 LEU HD21 . 16240 1 461 . 1 1 41 41 LEU HD23 H 1 0.115 0.001 . 2 . . . . 41 LEU HD21 . 16240 1 462 . 1 1 41 41 LEU HG H 1 0.887 0.001 . 1 . . . . 41 LEU HG . 16240 1 463 . 1 1 41 41 LEU C C 13 175.591 0.005 . 1 . . . . 41 LEU C . 16240 1 464 . 1 1 41 41 LEU CA C 13 52.388 0.005 . 1 . . . . 41 LEU CA . 16240 1 465 . 1 1 41 41 LEU CB C 13 43.951 0.005 . 1 . . . . 41 LEU CB . 16240 1 466 . 1 1 41 41 LEU CD1 C 13 23.953 0.005 . 2 . . . . 41 LEU CD1 . 16240 1 467 . 1 1 41 41 LEU CD2 C 13 22.390 0.005 . 2 . . . . 41 LEU CD2 . 16240 1 468 . 1 1 41 41 LEU CG C 13 27.077 0.005 . 1 . . . . 41 LEU CG . 16240 1 469 . 1 1 41 41 LEU N N 15 119.825 0.005 . 1 . . . . 41 LEU N . 16240 1 470 . 1 1 42 42 ILE H H 1 7.442 0.005 . 1 . . . . 42 ILE HN . 16240 1 471 . 1 1 42 42 ILE HA H 1 3.857 0.002 . 1 . . . . 42 ILE HA . 16240 1 472 . 1 1 42 42 ILE HB H 1 1.832 0.005 . 1 . . . . 42 ILE HB . 16240 1 473 . 1 1 42 42 ILE HD11 H 1 0.695 0.001 . 1 . . . . 42 ILE HD11 . 16240 1 474 . 1 1 42 42 ILE HD12 H 1 0.695 0.001 . 1 . . . . 42 ILE HD11 . 16240 1 475 . 1 1 42 42 ILE HD13 H 1 0.695 0.001 . 1 . . . . 42 ILE HD11 . 16240 1 476 . 1 1 42 42 ILE HG12 H 1 0.969 0.004 . 2 . . . . 42 ILE HG12 . 16240 1 477 . 1 1 42 42 ILE HG13 H 1 1.292 0.001 . 2 . . . . 42 ILE HG13 . 16240 1 478 . 1 1 42 42 ILE HG21 H 1 0.283 0.009 . 1 . . . . 42 ILE HG21 . 16240 1 479 . 1 1 42 42 ILE HG22 H 1 0.283 0.009 . 1 . . . . 42 ILE HG21 . 16240 1 480 . 1 1 42 42 ILE HG23 H 1 0.283 0.009 . 1 . . . . 42 ILE HG21 . 16240 1 481 . 1 1 42 42 ILE C C 13 177.978 0.005 . 1 . . . . 42 ILE C . 16240 1 482 . 1 1 42 42 ILE CA C 13 62.388 0.005 . 1 . . . . 42 ILE CA . 16240 1 483 . 1 1 42 42 ILE CB C 13 38.327 0.005 . 1 . . . . 42 ILE CB . 16240 1 484 . 1 1 42 42 ILE CD1 C 13 14.891 0.005 . 1 . . . . 42 ILE CD1 . 16240 1 485 . 1 1 42 42 ILE CG1 C 13 25.827 0.005 . 1 . . . . 42 ILE CG1 . 16240 1 486 . 1 1 42 42 ILE CG2 C 13 18.328 0.005 . 1 . . . . 42 ILE CG2 . 16240 1 487 . 1 1 42 42 ILE N N 15 121.880 0.005 . 1 . . . . 42 ILE N . 16240 1 488 . 1 1 43 43 SER H H 1 8.676 0.005 . 1 . . . . 43 SER HN . 16240 1 489 . 1 1 43 43 SER HB2 H 1 3.855 0.003 . 2 . . . . 43 SER HB2 . 16240 1 490 . 1 1 43 43 SER HB3 H 1 4.038 0.005 . 2 . . . . 43 SER HB3 . 16240 1 491 . 1 1 43 43 SER C C 13 177.935 0.005 . 1 . . . . 43 SER C . 16240 1 492 . 1 1 43 43 SER CA C 13 62.065 0.005 . 1 . . . . 43 SER CA . 16240 1 493 . 1 1 43 43 SER CB C 13 62.075 0.005 . 1 . . . . 43 SER CB . 16240 1 494 . 1 1 43 43 SER N N 15 121.197 0.005 . 1 . . . . 43 SER N . 16240 1 495 . 1 1 44 44 GLY H H 1 8.983 0.005 . 1 . . . . 44 GLY HN . 16240 1 496 . 1 1 44 44 GLY HA2 H 1 3.597 0.001 . 2 . . . . 44 GLY HA2 . 16240 1 497 . 1 1 44 44 GLY HA3 H 1 3.932 0.004 . 2 . . . . 44 GLY HA3 . 16240 1 498 . 1 1 44 44 GLY C C 13 175.375 0.005 . 1 . . . . 44 GLY C . 16240 1 499 . 1 1 44 44 GLY CA C 13 46.764 0.005 . 1 . . . . 44 GLY CA . 16240 1 500 . 1 1 44 44 GLY N N 15 105.697 0.005 . 1 . . . . 44 GLY N . 16240 1 501 . 1 1 45 45 LEU H H 1 6.935 0.005 . 1 . . . . 45 LEU HN . 16240 1 502 . 1 1 45 45 LEU HA H 1 3.981 0.002 . 1 . . . . 45 LEU HA . 16240 1 503 . 1 1 45 45 LEU HB2 H 1 0.406 0.003 . 2 . . . . 45 LEU HB2 . 16240 1 504 . 1 1 45 45 LEU HB3 H 1 1.403 0.003 . 2 . . . . 45 LEU HB3 . 16240 1 505 . 1 1 45 45 LEU HD11 H 1 -0.046 0.001 . 2 . . . . 45 LEU HD11 . 16240 1 506 . 1 1 45 45 LEU HD12 H 1 -0.046 0.001 . 2 . . . . 45 LEU HD11 . 16240 1 507 . 1 1 45 45 LEU HD13 H 1 -0.046 0.001 . 2 . . . . 45 LEU HD11 . 16240 1 508 . 1 1 45 45 LEU HD21 H 1 0.009 0.004 . 2 . . . . 45 LEU HD21 . 16240 1 509 . 1 1 45 45 LEU HD22 H 1 0.009 0.004 . 2 . . . . 45 LEU HD21 . 16240 1 510 . 1 1 45 45 LEU HD23 H 1 0.009 0.004 . 2 . . . . 45 LEU HD21 . 16240 1 511 . 1 1 45 45 LEU HG H 1 0.964 0.005 . 1 . . . . 45 LEU HG . 16240 1 512 . 1 1 45 45 LEU C C 13 176.838 0.005 . 1 . . . . 45 LEU C . 16240 1 513 . 1 1 45 45 LEU CA C 13 56.451 0.005 . 1 . . . . 45 LEU CA . 16240 1 514 . 1 1 45 45 LEU CB C 13 42.389 0.005 . 1 . . . . 45 LEU CB . 16240 1 515 . 1 1 45 45 LEU CD1 C 13 24.265 0.005 . 2 . . . . 45 LEU CD1 . 16240 1 516 . 1 1 45 45 LEU CD2 C 13 22.078 0.005 . 2 . . . . 45 LEU CD2 . 16240 1 517 . 1 1 45 45 LEU CG C 13 26.140 0.005 . 1 . . . . 45 LEU CG . 16240 1 518 . 1 1 45 45 LEU N N 15 118.798 0.005 . 1 . . . . 45 LEU N . 16240 1 519 . 1 1 46 46 GLU H H 1 7.661 0.005 . 1 . . . . 46 GLU HN . 16240 1 520 . 1 1 46 46 GLU HA H 1 3.734 0.005 . 1 . . . . 46 GLU HA . 16240 1 521 . 1 1 46 46 GLU HB2 H 1 1.797 0.005 . 2 . . . . 46 GLU HB2 . 16240 1 522 . 1 1 46 46 GLU HB3 H 1 1.957 0.002 . 2 . . . . 46 GLU HB3 . 16240 1 523 . 1 1 46 46 GLU HG2 H 1 1.886 0.001 . 2 . . . . 46 GLU HG2 . 16240 1 524 . 1 1 46 46 GLU HG3 H 1 2.162 0.001 . 2 . . . . 46 GLU HG3 . 16240 1 525 . 1 1 46 46 GLU C C 13 179.285 0.005 . 1 . . . . 46 GLU C . 16240 1 526 . 1 1 46 46 GLU CA C 13 62.388 0.005 . 1 . . . . 46 GLU CA . 16240 1 527 . 1 1 46 46 GLU CB C 13 29.265 0.005 . 1 . . . . 46 GLU CB . 16240 1 528 . 1 1 46 46 GLU CG C 13 38.327 0.005 . 1 . . . . 46 GLU CG . 16240 1 529 . 1 1 46 46 GLU N N 15 118.541 0.005 . 1 . . . . 46 GLU N . 16240 1 530 . 1 1 47 47 THR H H 1 8.314 0.005 . 1 . . . . 47 THR HN . 16240 1 531 . 1 1 47 47 THR HA H 1 4.037 0.005 . 1 . . . . 47 THR HA . 16240 1 532 . 1 1 47 47 THR HB H 1 4.068 0.001 . 1 . . . . 47 THR HB . 16240 1 533 . 1 1 47 47 THR HG21 H 1 1.240 0.001 . 1 . . . . 47 THR HG21 . 16240 1 534 . 1 1 47 47 THR HG22 H 1 1.240 0.001 . 1 . . . . 47 THR HG21 . 16240 1 535 . 1 1 47 47 THR HG23 H 1 1.240 0.001 . 1 . . . . 47 THR HG21 . 16240 1 536 . 1 1 47 47 THR C C 13 176.304 0.005 . 1 . . . . 47 THR C . 16240 1 537 . 1 1 47 47 THR CA C 13 65.825 0.005 . 1 . . . . 47 THR CA . 16240 1 538 . 1 1 47 47 THR CB C 13 68.950 0.005 . 1 . . . . 47 THR CB . 16240 1 539 . 1 1 47 47 THR CG2 C 13 22.078 0.005 . 1 . . . . 47 THR CG2 . 16240 1 540 . 1 1 47 47 THR N N 15 111.348 0.005 . 1 . . . . 47 THR N . 16240 1 541 . 1 1 48 48 ALA H H 1 6.904 0.005 . 1 . . . . 48 ALA HN . 16240 1 542 . 1 1 48 48 ALA HA H 1 4.245 0.003 . 1 . . . . 48 ALA HA . 16240 1 543 . 1 1 48 48 ALA HB1 H 1 1.578 0.005 . 1 . . . . 48 ALA HB1 . 16240 1 544 . 1 1 48 48 ALA HB2 H 1 1.578 0.005 . 1 . . . . 48 ALA HB1 . 16240 1 545 . 1 1 48 48 ALA HB3 H 1 1.578 0.005 . 1 . . . . 48 ALA HB1 . 16240 1 546 . 1 1 48 48 ALA C C 13 178.723 0.005 . 1 . . . . 48 ALA C . 16240 1 547 . 1 1 48 48 ALA CA C 13 53.951 0.005 . 1 . . . . 48 ALA CA . 16240 1 548 . 1 1 48 48 ALA CB C 13 19.578 0.005 . 1 . . . . 48 ALA CB . 16240 1 549 . 1 1 48 48 ALA N N 15 122.137 0.005 . 1 . . . . 48 ALA N . 16240 1 550 . 1 1 49 49 LEU H H 1 7.800 0.005 . 1 . . . . 49 LEU HN . 16240 1 551 . 1 1 49 49 LEU HA H 1 3.975 0.001 . 1 . . . . 49 LEU HA . 16240 1 552 . 1 1 49 49 LEU HB2 H 1 1.572 0.003 . 2 . . . . 49 LEU HB2 . 16240 1 553 . 1 1 49 49 LEU HB3 H 1 2.148 0.005 . 2 . . . . 49 LEU HB3 . 16240 1 554 . 1 1 49 49 LEU HD11 H 1 0.893 0.005 . 2 . . . . 49 LEU HD11 . 16240 1 555 . 1 1 49 49 LEU HD12 H 1 0.893 0.005 . 2 . . . . 49 LEU HD11 . 16240 1 556 . 1 1 49 49 LEU HD13 H 1 0.893 0.005 . 2 . . . . 49 LEU HD11 . 16240 1 557 . 1 1 49 49 LEU HD21 H 1 0.852 0.005 . 2 . . . . 49 LEU HD21 . 16240 1 558 . 1 1 49 49 LEU HD22 H 1 0.852 0.005 . 2 . . . . 49 LEU HD21 . 16240 1 559 . 1 1 49 49 LEU HD23 H 1 0.852 0.005 . 2 . . . . 49 LEU HD21 . 16240 1 560 . 1 1 49 49 LEU HG H 1 1.780 0.005 . 1 . . . . 49 LEU HG . 16240 1 561 . 1 1 49 49 LEU C C 13 176.979 0.005 . 1 . . . . 49 LEU C . 16240 1 562 . 1 1 49 49 LEU CA C 13 57.388 0.005 . 1 . . . . 49 LEU CA . 16240 1 563 . 1 1 49 49 LEU CB C 13 43.639 0.005 . 1 . . . . 49 LEU CB . 16240 1 564 . 1 1 49 49 LEU CD1 C 13 26.765 0.005 . 2 . . . . 49 LEU CD1 . 16240 1 565 . 1 1 49 49 LEU CD2 C 13 24.890 0.005 . 2 . . . . 49 LEU CD2 . 16240 1 566 . 1 1 49 49 LEU CG C 13 28.640 0.005 . 1 . . . . 49 LEU CG . 16240 1 567 . 1 1 49 49 LEU N N 15 116.486 0.005 . 1 . . . . 49 LEU N . 16240 1 568 . 1 1 50 50 GLU H H 1 7.061 0.005 . 1 . . . . 50 GLU HN . 16240 1 569 . 1 1 50 50 GLU HA H 1 3.303 0.003 . 1 . . . . 50 GLU HA . 16240 1 570 . 1 1 50 50 GLU HB2 H 1 2.071 0.004 . 2 . . . . 50 GLU HB2 . 16240 1 571 . 1 1 50 50 GLU HB3 H 1 2.236 0.002 . 2 . . . . 50 GLU HB3 . 16240 1 572 . 1 1 50 50 GLU HG2 H 1 2.243 0.003 . 2 . . . . 50 GLU HG2 . 16240 1 573 . 1 1 50 50 GLU HG3 H 1 2.341 0.001 . 2 . . . . 50 GLU HG3 . 16240 1 574 . 1 1 50 50 GLU C C 13 176.669 0.005 . 1 . . . . 50 GLU C . 16240 1 575 . 1 1 50 50 GLU CA C 13 58.950 0.005 . 1 . . . . 50 GLU CA . 16240 1 576 . 1 1 50 50 GLU CB C 13 29.890 0.005 . 1 . . . . 50 GLU CB . 16240 1 577 . 1 1 50 50 GLU CG C 13 35.827 0.005 . 1 . . . . 50 GLU CG . 16240 1 578 . 1 1 50 50 GLU N N 15 118.027 0.005 . 1 . . . . 50 GLU N . 16240 1 579 . 1 1 51 51 GLY H H 1 8.646 0.005 . 1 . . . . 51 GLY HN . 16240 1 580 . 1 1 51 51 GLY HA2 H 1 3.564 0.003 . 2 . . . . 51 GLY HA2 . 16240 1 581 . 1 1 51 51 GLY HA3 H 1 4.250 0.013 . 2 . . . . 51 GLY HA3 . 16240 1 582 . 1 1 51 51 GLY C C 13 173.969 0.005 . 1 . . . . 51 GLY C . 16240 1 583 . 1 1 51 51 GLY CA C 13 45.514 0.005 . 1 . . . . 51 GLY CA . 16240 1 584 . 1 1 51 51 GLY N N 15 112.890 0.005 . 1 . . . . 51 GLY N . 16240 1 585 . 1 1 52 52 HIS H H 1 7.780 0.005 . 1 . . . . 52 HIS HN . 16240 1 586 . 1 1 52 52 HIS HA H 1 4.381 0.001 . 1 . . . . 52 HIS HA . 16240 1 587 . 1 1 52 52 HIS HB2 H 1 3.256 0.003 . 2 . . . . 52 HIS HB2 . 16240 1 588 . 1 1 52 52 HIS HB3 H 1 3.453 0.002 . 2 . . . . 52 HIS HB3 . 16240 1 589 . 1 1 52 52 HIS HD2 H 1 7.372 0.005 . 1 . . . . 52 HIS HD2 . 16240 1 590 . 1 1 52 52 HIS C C 13 172.854 0.005 . 1 . . . . 52 HIS C . 16240 1 591 . 1 1 52 52 HIS CA C 13 57.700 0.005 . 1 . . . . 52 HIS CA . 16240 1 592 . 1 1 52 52 HIS CB C 13 28.952 0.005 . 1 . . . . 52 HIS CB . 16240 1 593 . 1 1 52 52 HIS CD2 C 13 120.667 0.005 . 1 . . . . 52 HIS CD2 . 16240 1 594 . 1 1 52 52 HIS N N 15 116.486 0.005 . 1 . . . . 52 HIS N . 16240 1 595 . 1 1 53 53 GLU H H 1 8.407 0.005 . 1 . . . . 53 GLU HN . 16240 1 596 . 1 1 53 53 GLU HA H 1 4.757 0.005 . 1 . . . . 53 GLU HA . 16240 1 597 . 1 1 53 53 GLU HB2 H 1 1.928 0.191 . 2 . . . . 53 GLU HB2 . 16240 1 598 . 1 1 53 53 GLU HB3 H 1 2.150 0.002 . 2 . . . . 53 GLU HB3 . 16240 1 599 . 1 1 53 53 GLU C C 13 176.270 0.005 . 1 . . . . 53 GLU C . 16240 1 600 . 1 1 53 53 GLU CA C 13 54.790 0.005 . 1 . . . . 53 GLU CA . 16240 1 601 . 1 1 53 53 GLU CB C 13 33.639 0.005 . 1 . . . . 53 GLU CB . 16240 1 602 . 1 1 53 53 GLU N N 15 118.541 0.005 . 1 . . . . 53 GLU N . 16240 1 603 . 1 1 54 54 VAL H H 1 8.537 0.005 . 1 . . . . 54 VAL HN . 16240 1 604 . 1 1 54 54 VAL HA H 1 3.295 0.002 . 1 . . . . 54 VAL HA . 16240 1 605 . 1 1 54 54 VAL HB H 1 1.898 0.001 . 1 . . . . 54 VAL HB . 16240 1 606 . 1 1 54 54 VAL HG11 H 1 0.745 0.005 . 2 . . . . 54 VAL HG11 . 16240 1 607 . 1 1 54 54 VAL HG12 H 1 0.745 0.005 . 2 . . . . 54 VAL HG11 . 16240 1 608 . 1 1 54 54 VAL HG13 H 1 0.745 0.005 . 2 . . . . 54 VAL HG11 . 16240 1 609 . 1 1 54 54 VAL HG21 H 1 0.995 0.003 . 2 . . . . 54 VAL HG21 . 16240 1 610 . 1 1 54 54 VAL HG22 H 1 0.995 0.003 . 2 . . . . 54 VAL HG21 . 16240 1 611 . 1 1 54 54 VAL HG23 H 1 0.995 0.003 . 2 . . . . 54 VAL HG21 . 16240 1 612 . 1 1 54 54 VAL C C 13 177.176 0.005 . 1 . . . . 54 VAL C . 16240 1 613 . 1 1 54 54 VAL CA C 13 65.825 0.005 . 1 . . . . 54 VAL CA . 16240 1 614 . 1 1 54 54 VAL CB C 13 31.452 0.005 . 1 . . . . 54 VAL CB . 16240 1 615 . 1 1 54 54 VAL CG1 C 13 22.078 0.005 . 2 . . . . 54 VAL CG1 . 16240 1 616 . 1 1 54 54 VAL CG2 C 13 23.328 0.005 . 2 . . . . 54 VAL CG2 . 16240 1 617 . 1 1 54 54 VAL N N 15 119.311 0.005 . 1 . . . . 54 VAL N . 16240 1 618 . 1 1 55 55 GLY H H 1 9.002 0.005 . 1 . . . . 55 GLY HN . 16240 1 619 . 1 1 55 55 GLY HA2 H 1 3.935 0.003 . 2 . . . . 55 GLY HA2 . 16240 1 620 . 1 1 55 55 GLY HA3 H 1 4.523 0.001 . 2 . . . . 55 GLY HA3 . 16240 1 621 . 1 1 55 55 GLY C C 13 174.922 0.005 . 1 . . . . 55 GLY C . 16240 1 622 . 1 1 55 55 GLY CA C 13 44.576 0.005 . 1 . . . . 55 GLY CA . 16240 1 623 . 1 1 55 55 GLY N N 15 117.513 0.005 . 1 . . . . 55 GLY N . 16240 1 624 . 1 1 56 56 ASP H H 1 8.224 0.005 . 1 . . . . 56 ASP HN . 16240 1 625 . 1 1 56 56 ASP HA H 1 4.598 0.005 . 1 . . . . 56 ASP HA . 16240 1 626 . 1 1 56 56 ASP HB2 H 1 2.895 0.005 . 2 . . . . 56 ASP HB2 . 16240 1 627 . 1 1 56 56 ASP HB3 H 1 3.095 0.003 . 2 . . . . 56 ASP HB3 . 16240 1 628 . 1 1 56 56 ASP C C 13 174.982 0.005 . 1 . . . . 56 ASP C . 16240 1 629 . 1 1 56 56 ASP CA C 13 55.766 0.005 . 1 . . . . 56 ASP CA . 16240 1 630 . 1 1 56 56 ASP CB C 13 40.827 0.005 . 1 . . . . 56 ASP CB . 16240 1 631 . 1 1 56 56 ASP N N 15 122.651 0.005 . 1 . . . . 56 ASP N . 16240 1 632 . 1 1 57 57 LYS H H 1 8.240 0.005 . 1 . . . . 57 LYS HN . 16240 1 633 . 1 1 57 57 LYS HA H 1 5.530 0.461 . 1 . . . . 57 LYS HA . 16240 1 634 . 1 1 57 57 LYS HB2 H 1 1.627 0.005 . 2 . . . . 57 LYS HB2 . 16240 1 635 . 1 1 57 57 LYS HB3 H 1 1.833 0.005 . 2 . . . . 57 LYS HB3 . 16240 1 636 . 1 1 57 57 LYS HD2 H 1 1.637 0.001 . 2 . . . . 57 LYS HG2 . 16240 1 637 . 1 1 57 57 LYS HE2 H 1 2.924 0.005 . 2 . . . . 57 LYS HD2 . 16240 1 638 . 1 1 57 57 LYS C C 13 174.279 0.005 . 1 . . . . 57 LYS C . 16240 1 639 . 1 1 57 57 LYS CA C 13 55.201 0.312 . 1 . . . . 57 LYS CA . 16240 1 640 . 1 1 57 57 LYS CB C 13 35.514 0.005 . 1 . . . . 57 LYS CB . 16240 1 641 . 1 1 57 57 LYS CD C 13 29.308 0.005 . 1 . . . . 57 LYS CG . 16240 1 642 . 1 1 57 57 LYS CE C 13 41.626 0.005 . 1 . . . . 57 LYS CD . 16240 1 643 . 1 1 57 57 LYS N N 15 121.880 0.005 . 1 . . . . 57 LYS N . 16240 1 644 . 1 1 58 58 PHE H H 1 8.443 0.005 . 1 . . . . 58 PHE HN . 16240 1 645 . 1 1 58 58 PHE HA H 1 4.945 0.003 . 1 . . . . 58 PHE HA . 16240 1 646 . 1 1 58 58 PHE HB2 H 1 3.081 0.001 . 2 . . . . 58 PHE HB2 . 16240 1 647 . 1 1 58 58 PHE HB3 H 1 3.326 0.002 . 2 . . . . 58 PHE HB3 . 16240 1 648 . 1 1 58 58 PHE HD1 H 1 6.658 0.005 . 3 . . . . 58 PHE HD1 . 16240 1 649 . 1 1 58 58 PHE HE1 H 1 6.404 0.005 . 3 . . . . 58 PHE HE1 . 16240 1 650 . 1 1 58 58 PHE HZ H 1 6.446 0.005 . 1 . . . . 58 PHE HZ . 16240 1 651 . 1 1 58 58 PHE C C 13 171.598 0.005 . 1 . . . . 58 PHE C . 16240 1 652 . 1 1 58 58 PHE CA C 13 56.138 0.005 . 1 . . . . 58 PHE CA . 16240 1 653 . 1 1 58 58 PHE CB C 13 39.264 0.005 . 1 . . . . 58 PHE CB . 16240 1 654 . 1 1 58 58 PHE CD1 C 13 131.820 0.005 . 3 . . . . 58 PHE CD1 . 16240 1 655 . 1 1 58 58 PHE CE1 C 13 128.657 0.005 . 3 . . . . 58 PHE CE1 . 16240 1 656 . 1 1 58 58 PHE CZ C 13 128.324 0.005 . 1 . . . . 58 PHE CZ . 16240 1 657 . 1 1 58 58 PHE N N 15 120.596 0.005 . 1 . . . . 58 PHE N . 16240 1 658 . 1 1 59 59 ASP H H 1 8.493 0.005 . 1 . . . . 59 ASP HN . 16240 1 659 . 1 1 59 59 ASP HA H 1 5.821 0.003 . 1 . . . . 59 ASP HA . 16240 1 660 . 1 1 59 59 ASP HB2 H 1 2.602 0.013 . 2 . . . . 59 ASP HB2 . 16240 1 661 . 1 1 59 59 ASP HB3 H 1 2.664 0.003 . 2 . . . . 59 ASP HB3 . 16240 1 662 . 1 1 59 59 ASP C C 13 176.340 0.005 . 1 . . . . 59 ASP C . 16240 1 663 . 1 1 59 59 ASP CA C 13 52.701 0.005 . 1 . . . . 59 ASP CA . 16240 1 664 . 1 1 59 59 ASP CB C 13 43.951 0.005 . 1 . . . . 59 ASP CB . 16240 1 665 . 1 1 59 59 ASP N N 15 118.541 0.005 . 1 . . . . 59 ASP N . 16240 1 666 . 1 1 60 60 VAL H H 1 9.001 0.005 . 1 . . . . 60 VAL HN . 16240 1 667 . 1 1 60 60 VAL HA H 1 4.456 0.003 . 1 . . . . 60 VAL HA . 16240 1 668 . 1 1 60 60 VAL HB H 1 1.967 0.002 . 1 . . . . 60 VAL HB . 16240 1 669 . 1 1 60 60 VAL HG11 H 1 0.768 0.001 . 2 . . . . 60 VAL HG11 . 16240 1 670 . 1 1 60 60 VAL HG12 H 1 0.768 0.001 . 2 . . . . 60 VAL HG11 . 16240 1 671 . 1 1 60 60 VAL HG13 H 1 0.768 0.001 . 2 . . . . 60 VAL HG11 . 16240 1 672 . 1 1 60 60 VAL HG21 H 1 0.883 0.002 . 2 . . . . 60 VAL HG21 . 16240 1 673 . 1 1 60 60 VAL HG22 H 1 0.883 0.002 . 2 . . . . 60 VAL HG21 . 16240 1 674 . 1 1 60 60 VAL HG23 H 1 0.883 0.002 . 2 . . . . 60 VAL HG21 . 16240 1 675 . 1 1 60 60 VAL C C 13 173.225 0.005 . 1 . . . . 60 VAL C . 16240 1 676 . 1 1 60 60 VAL CA C 13 61.450 0.005 . 1 . . . . 60 VAL CA . 16240 1 677 . 1 1 60 60 VAL CB C 13 35.514 0.005 . 1 . . . . 60 VAL CB . 16240 1 678 . 1 1 60 60 VAL CG1 C 13 20.515 0.005 . 2 . . . . 60 VAL CG1 . 16240 1 679 . 1 1 60 60 VAL CG2 C 13 21.765 0.005 . 2 . . . . 60 VAL CG2 . 16240 1 680 . 1 1 60 60 VAL N N 15 119.311 0.005 . 1 . . . . 60 VAL N . 16240 1 681 . 1 1 61 61 ALA H H 1 8.835 0.005 . 1 . . . . 61 ALA HN . 16240 1 682 . 1 1 61 61 ALA HA H 1 5.180 0.001 . 1 . . . . 61 ALA HA . 16240 1 683 . 1 1 61 61 ALA HB1 H 1 1.404 0.002 . 1 . . . . 61 ALA HB1 . 16240 1 684 . 1 1 61 61 ALA HB2 H 1 1.404 0.002 . 1 . . . . 61 ALA HB1 . 16240 1 685 . 1 1 61 61 ALA HB3 H 1 1.404 0.002 . 1 . . . . 61 ALA HB1 . 16240 1 686 . 1 1 61 61 ALA C C 13 176.544 0.005 . 1 . . . . 61 ALA C . 16240 1 687 . 1 1 61 61 ALA CA C 13 51.138 0.005 . 1 . . . . 61 ALA CA . 16240 1 688 . 1 1 61 61 ALA CB C 13 19.578 0.005 . 1 . . . . 61 ALA CB . 16240 1 689 . 1 1 61 61 ALA N N 15 132.669 0.005 . 1 . . . . 61 ALA N . 16240 1 690 . 1 1 62 62 VAL H H 1 9.035 0.005 . 1 . . . . 62 VAL HN . 16240 1 691 . 1 1 62 62 VAL HA H 1 4.313 0.001 . 1 . . . . 62 VAL HA . 16240 1 692 . 1 1 62 62 VAL HB H 1 1.908 0.001 . 1 . . . . 62 VAL HB . 16240 1 693 . 1 1 62 62 VAL HG11 H 1 0.657 0.001 . 2 . . . . 62 VAL HG11 . 16240 1 694 . 1 1 62 62 VAL HG12 H 1 0.657 0.001 . 2 . . . . 62 VAL HG11 . 16240 1 695 . 1 1 62 62 VAL HG13 H 1 0.657 0.001 . 2 . . . . 62 VAL HG11 . 16240 1 696 . 1 1 62 62 VAL HG21 H 1 0.927 0.002 . 2 . . . . 62 VAL HG21 . 16240 1 697 . 1 1 62 62 VAL HG22 H 1 0.927 0.002 . 2 . . . . 62 VAL HG21 . 16240 1 698 . 1 1 62 62 VAL HG23 H 1 0.927 0.002 . 2 . . . . 62 VAL HG21 . 16240 1 699 . 1 1 62 62 VAL C C 13 174.785 0.005 . 1 . . . . 62 VAL C . 16240 1 700 . 1 1 62 62 VAL CA C 13 61.138 0.005 . 1 . . . . 62 VAL CA . 16240 1 701 . 1 1 62 62 VAL CB C 13 34.577 0.005 . 1 . . . . 62 VAL CB . 16240 1 702 . 1 1 62 62 VAL CG1 C 13 21.453 0.005 . 2 . . . . 62 VAL CG1 . 16240 1 703 . 1 1 62 62 VAL CG2 C 13 23.640 0.005 . 2 . . . . 62 VAL CG2 . 16240 1 704 . 1 1 62 62 VAL N N 15 123.550 0.005 . 1 . . . . 62 VAL N . 16240 1 705 . 1 1 63 63 GLY H H 1 9.084 0.005 . 1 . . . . 63 GLY HN . 16240 1 706 . 1 1 63 63 GLY HA2 H 1 3.705 0.002 . 2 . . . . 63 GLY HA2 . 16240 1 707 . 1 1 63 63 GLY HA3 H 1 4.309 0.001 . 2 . . . . 63 GLY HA3 . 16240 1 708 . 1 1 63 63 GLY C C 13 175.291 0.005 . 1 . . . . 63 GLY C . 16240 1 709 . 1 1 63 63 GLY CA C 13 44.576 0.005 . 1 . . . . 63 GLY CA . 16240 1 710 . 1 1 63 63 GLY N N 15 114.945 0.005 . 1 . . . . 63 GLY N . 16240 1 711 . 1 1 64 64 ALA H H 1 8.228 0.005 . 1 . . . . 64 ALA HN . 16240 1 712 . 1 1 64 64 ALA HA H 1 4.092 0.003 . 1 . . . . 64 ALA HA . 16240 1 713 . 1 1 64 64 ALA HB1 H 1 1.106 0.005 . 1 . . . . 64 ALA HB1 . 16240 1 714 . 1 1 64 64 ALA HB2 H 1 1.106 0.005 . 1 . . . . 64 ALA HB1 . 16240 1 715 . 1 1 64 64 ALA HB3 H 1 1.106 0.005 . 1 . . . . 64 ALA HB1 . 16240 1 716 . 1 1 64 64 ALA C C 13 180.270 0.005 . 1 . . . . 64 ALA C . 16240 1 717 . 1 1 64 64 ALA CA C 13 55.826 0.005 . 1 . . . . 64 ALA CA . 16240 1 718 . 1 1 64 64 ALA CB C 13 18.328 0.005 . 1 . . . . 64 ALA CB . 16240 1 719 . 1 1 64 64 ALA N N 15 122.651 0.005 . 1 . . . . 64 ALA N . 16240 1 720 . 1 1 65 65 ASN H H 1 8.829 0.005 . 1 . . . . 65 ASN HN . 16240 1 721 . 1 1 65 65 ASN HA H 1 4.306 0.004 . 1 . . . . 65 ASN HA . 16240 1 722 . 1 1 65 65 ASN HB2 H 1 2.663 0.002 . 2 . . . . 65 ASN HB2 . 16240 1 723 . 1 1 65 65 ASN HB3 H 1 2.727 0.001 . 2 . . . . 65 ASN HB3 . 16240 1 724 . 1 1 65 65 ASN C C 13 176.107 0.005 . 1 . . . . 65 ASN C . 16240 1 725 . 1 1 65 65 ASN CA C 13 56.138 0.005 . 1 . . . . 65 ASN CA . 16240 1 726 . 1 1 65 65 ASN CB C 13 37.702 0.005 . 1 . . . . 65 ASN CB . 16240 1 727 . 1 1 65 65 ASN N N 15 114.174 0.005 . 1 . . . . 65 ASN N . 16240 1 728 . 1 1 66 66 ASP H H 1 7.708 0.005 . 1 . . . . 66 ASP HN . 16240 1 729 . 1 1 66 66 ASP HA H 1 4.757 0.005 . 1 . . . . 66 ASP HA . 16240 1 730 . 1 1 66 66 ASP HB2 H 1 2.441 0.001 . 2 . . . . 66 ASP HB2 . 16240 1 731 . 1 1 66 66 ASP HB3 H 1 2.670 0.005 . 2 . . . . 66 ASP HB3 . 16240 1 732 . 1 1 66 66 ASP C C 13 173.182 0.005 . 1 . . . . 66 ASP C . 16240 1 733 . 1 1 66 66 ASP CA C 13 53.732 0.005 . 1 . . . . 66 ASP CA . 16240 1 734 . 1 1 66 66 ASP CB C 13 42.076 0.005 . 1 . . . . 66 ASP CB . 16240 1 735 . 1 1 66 66 ASP N N 15 117.513 0.005 . 1 . . . . 66 ASP N . 16240 1 736 . 1 1 67 67 ALA H H 1 7.542 0.005 . 1 . . . . 67 ALA HN . 16240 1 737 . 1 1 67 67 ALA HA H 1 4.377 0.006 . 1 . . . . 67 ALA HA . 16240 1 738 . 1 1 67 67 ALA HB1 H 1 1.264 0.002 . 1 . . . . 67 ALA HB1 . 16240 1 739 . 1 1 67 67 ALA HB2 H 1 1.264 0.002 . 1 . . . . 67 ALA HB1 . 16240 1 740 . 1 1 67 67 ALA HB3 H 1 1.264 0.002 . 1 . . . . 67 ALA HB1 . 16240 1 741 . 1 1 67 67 ALA C C 13 175.769 0.005 . 1 . . . . 67 ALA C . 16240 1 742 . 1 1 67 67 ALA CA C 13 50.826 0.005 . 1 . . . . 67 ALA CA . 16240 1 743 . 1 1 67 67 ALA CB C 13 18.640 0.005 . 1 . . . . 67 ALA CB . 16240 1 744 . 1 1 67 67 ALA N N 15 124.192 0.005 . 1 . . . . 67 ALA N . 16240 1 745 . 1 1 68 68 TYR H H 1 8.477 0.005 . 1 . . . . 68 TYR HN . 16240 1 746 . 1 1 68 68 TYR HA H 1 4.278 0.005 . 1 . . . . 68 TYR HA . 16240 1 747 . 1 1 68 68 TYR HB2 H 1 2.811 0.004 . 2 . . . . 68 TYR HB2 . 16240 1 748 . 1 1 68 68 TYR HD1 H 1 6.741 0.005 . 3 . . . . 68 TYR HD1 . 16240 1 749 . 1 1 68 68 TYR HE1 H 1 6.484 0.005 . 3 . . . . 68 TYR HE1 . 16240 1 750 . 1 1 68 68 TYR C C 13 176.726 0.005 . 1 . . . . 68 TYR C . 16240 1 751 . 1 1 68 68 TYR CA C 13 59.575 0.005 . 1 . . . . 68 TYR CA . 16240 1 752 . 1 1 68 68 TYR CB C 13 37.077 0.005 . 1 . . . . 68 TYR CB . 16240 1 753 . 1 1 68 68 TYR CD1 C 13 132.485 0.005 . 3 . . . . 68 TYR CD1 . 16240 1 754 . 1 1 68 68 TYR CE1 C 13 117.504 0.005 . 3 . . . . 68 TYR CE1 . 16240 1 755 . 1 1 68 68 TYR N N 15 120.339 0.005 . 1 . . . . 68 TYR N . 16240 1 756 . 1 1 69 69 GLY H H 1 8.234 0.005 . 1 . . . . 69 GLY HN . 16240 1 757 . 1 1 69 69 GLY HA2 H 1 4.345 0.002 . 2 . . . . 69 GLY HA2 . 16240 1 758 . 1 1 69 69 GLY HA3 H 1 3.719 0.002 . 2 . . . . 69 GLY HA3 . 16240 1 759 . 1 1 69 69 GLY C C 13 173.210 0.005 . 1 . . . . 69 GLY C . 16240 1 760 . 1 1 69 69 GLY CA C 13 44.889 0.005 . 1 . . . . 69 GLY CA . 16240 1 761 . 1 1 69 69 GLY N N 15 108.266 0.005 . 1 . . . . 69 GLY N . 16240 1 762 . 1 1 70 70 GLN H H 1 8.525 0.005 . 1 . . . . 70 GLN HN . 16240 1 763 . 1 1 70 70 GLN HA H 1 4.229 0.005 . 1 . . . . 70 GLN HA . 16240 1 764 . 1 1 70 70 GLN HB2 H 1 1.841 0.005 . 2 . . . . 70 GLN HB2 . 16240 1 765 . 1 1 70 70 GLN HB3 H 1 2.187 0.001 . 2 . . . . 70 GLN HB3 . 16240 1 766 . 1 1 70 70 GLN HG2 H 1 2.475 0.001 . 2 . . . . 70 GLN HG2 . 16240 1 767 . 1 1 70 70 GLN CA C 13 54.888 0.005 . 1 . . . . 70 GLN CA . 16240 1 768 . 1 1 70 70 GLN CB C 13 28.952 0.005 . 1 . . . . 70 GLN CB . 16240 1 769 . 1 1 70 70 GLN CG C 13 33.015 0.005 . 1 . . . . 70 GLN CG . 16240 1 770 . 1 1 70 70 GLN N N 15 116.486 0.005 . 1 . . . . 70 GLN N . 16240 1 771 . 1 1 71 71 TYR H H 1 9.050 0.005 . 1 . . . . 71 TYR HN . 16240 1 772 . 1 1 71 71 TYR HA H 1 3.852 0.003 . 1 . . . . 71 TYR HA . 16240 1 773 . 1 1 71 71 TYR HB2 H 1 2.597 0.001 . 2 . . . . 71 TYR HB2 . 16240 1 774 . 1 1 71 71 TYR HB3 H 1 2.883 0.001 . 2 . . . . 71 TYR HB3 . 16240 1 775 . 1 1 71 71 TYR HD1 H 1 6.849 0.005 . 3 . . . . 71 TYR HD1 . 16240 1 776 . 1 1 71 71 TYR HE1 H 1 6.733 0.005 . 3 . . . . 71 TYR HE1 . 16240 1 777 . 1 1 71 71 TYR CA C 13 59.888 0.005 . 1 . . . . 71 TYR CA . 16240 1 778 . 1 1 71 71 TYR CB C 13 38.952 0.005 . 1 . . . . 71 TYR CB . 16240 1 779 . 1 1 71 71 TYR CD1 C 13 132.652 0.005 . 3 . . . . 71 TYR CD1 . 16240 1 780 . 1 1 71 71 TYR CE1 C 13 118.669 0.005 . 3 . . . . 71 TYR CE1 . 16240 1 781 . 1 1 71 71 TYR N N 15 124.538 0.005 . 1 . . . . 71 TYR N . 16240 1 782 . 1 1 72 72 ASP H H 1 8.904 0.005 . 1 . . . . 72 ASP HN . 16240 1 783 . 1 1 72 72 ASP HA H 1 4.844 0.005 . 1 . . . . 72 ASP HA . 16240 1 784 . 1 1 72 72 ASP HB2 H 1 2.374 0.002 . 2 . . . . 72 ASP HB2 . 16240 1 785 . 1 1 72 72 ASP HB3 H 1 2.851 0.001 . 2 . . . . 72 ASP HB3 . 16240 1 786 . 1 1 72 72 ASP CA C 13 52.477 0.005 . 1 . . . . 72 ASP CA . 16240 1 787 . 1 1 72 72 ASP CB C 13 42.389 0.005 . 1 . . . . 72 ASP CB . 16240 1 788 . 1 1 72 72 ASP N N 15 129.422 0.005 . 1 . . . . 72 ASP N . 16240 1 789 . 1 1 73 73 GLU H H 1 9.484 0.005 . 1 . . . . 73 GLU HN . 16240 1 790 . 1 1 73 73 GLU HA H 1 4.007 0.002 . 1 . . . . 73 GLU HA . 16240 1 791 . 1 1 73 73 GLU HB2 H 1 2.125 0.005 . 2 . . . . 73 GLU HB2 . 16240 1 792 . 1 1 73 73 GLU HB3 H 1 2.224 0.002 . 2 . . . . 73 GLU HB3 . 16240 1 793 . 1 1 73 73 GLU HG2 H 1 2.430 0.002 . 2 . . . . 73 GLU HG2 . 16240 1 794 . 1 1 73 73 GLU C C 13 177.626 0.005 . 1 . . . . 73 GLU C . 16240 1 795 . 1 1 73 73 GLU CA C 13 59.263 0.005 . 1 . . . . 73 GLU CA . 16240 1 796 . 1 1 73 73 GLU CB C 13 29.265 0.005 . 1 . . . . 73 GLU CB . 16240 1 797 . 1 1 73 73 GLU CG C 13 36.452 0.005 . 1 . . . . 73 GLU CG . 16240 1 798 . 1 1 73 73 GLU N N 15 129.165 0.005 . 1 . . . . 73 GLU N . 16240 1 799 . 1 1 74 74 ASN H H 1 8.796 0.005 . 1 . . . . 74 ASN HN . 16240 1 800 . 1 1 74 74 ASN HA H 1 4.609 0.005 . 1 . . . . 74 ASN HA . 16240 1 801 . 1 1 74 74 ASN HB2 H 1 2.767 0.002 . 2 . . . . 74 ASN HB2 . 16240 1 802 . 1 1 74 74 ASN HB3 H 1 2.916 0.001 . 2 . . . . 74 ASN HB3 . 16240 1 803 . 1 1 74 74 ASN C C 13 176.247 0.005 . 1 . . . . 74 ASN C . 16240 1 804 . 1 1 74 74 ASN CA C 13 54.971 0.005 . 1 . . . . 74 ASN CA . 16240 1 805 . 1 1 74 74 ASN CB C 13 38.014 0.005 . 1 . . . . 74 ASN CB . 16240 1 806 . 1 1 74 74 ASN N N 15 116.229 0.005 . 1 . . . . 74 ASN N . 16240 1 807 . 1 1 75 75 LEU H H 1 7.387 0.005 . 1 . . . . 75 LEU HN . 16240 1 808 . 1 1 75 75 LEU HA H 1 4.370 0.003 . 1 . . . . 75 LEU HA . 16240 1 809 . 1 1 75 75 LEU HB2 H 1 1.384 0.003 . 2 . . . . 75 LEU HB2 . 16240 1 810 . 1 1 75 75 LEU HB3 H 1 1.711 0.002 . 2 . . . . 75 LEU HB3 . 16240 1 811 . 1 1 75 75 LEU HD11 H 1 0.704 0.004 . 2 . . . . 75 LEU HD11 . 16240 1 812 . 1 1 75 75 LEU HD12 H 1 0.704 0.004 . 2 . . . . 75 LEU HD11 . 16240 1 813 . 1 1 75 75 LEU HD13 H 1 0.704 0.004 . 2 . . . . 75 LEU HD11 . 16240 1 814 . 1 1 75 75 LEU HD21 H 1 0.763 0.001 . 2 . . . . 75 LEU HD21 . 16240 1 815 . 1 1 75 75 LEU HD22 H 1 0.763 0.001 . 2 . . . . 75 LEU HD21 . 16240 1 816 . 1 1 75 75 LEU HD23 H 1 0.763 0.001 . 2 . . . . 75 LEU HD21 . 16240 1 817 . 1 1 75 75 LEU HG H 1 1.395 0.002 . 1 . . . . 75 LEU HG . 16240 1 818 . 1 1 75 75 LEU C C 13 175.826 0.005 . 1 . . . . 75 LEU C . 16240 1 819 . 1 1 75 75 LEU CA C 13 53.951 0.005 . 1 . . . . 75 LEU CA . 16240 1 820 . 1 1 75 75 LEU CB C 13 41.451 0.005 . 1 . . . . 75 LEU CB . 16240 1 821 . 1 1 75 75 LEU CD1 C 13 22.390 0.005 . 2 . . . . 75 LEU CD1 . 16240 1 822 . 1 1 75 75 LEU CD2 C 13 25.203 0.005 . 2 . . . . 75 LEU CD2 . 16240 1 823 . 1 1 75 75 LEU CG C 13 26.452 0.005 . 1 . . . . 75 LEU CG . 16240 1 824 . 1 1 75 75 LEU N N 15 116.743 0.005 . 1 . . . . 75 LEU N . 16240 1 825 . 1 1 76 76 VAL H H 1 7.281 0.005 . 1 . . . . 76 VAL HN . 16240 1 826 . 1 1 76 76 VAL HA H 1 5.056 0.001 . 1 . . . . 76 VAL HA . 16240 1 827 . 1 1 76 76 VAL HB H 1 2.147 0.001 . 1 . . . . 76 VAL HB . 16240 1 828 . 1 1 76 76 VAL HG11 H 1 0.867 0.001 . 2 . . . . 76 VAL HG11 . 16240 1 829 . 1 1 76 76 VAL HG12 H 1 0.867 0.001 . 2 . . . . 76 VAL HG11 . 16240 1 830 . 1 1 76 76 VAL HG13 H 1 0.867 0.001 . 2 . . . . 76 VAL HG11 . 16240 1 831 . 1 1 76 76 VAL C C 13 175.782 0.005 . 1 . . . . 76 VAL C . 16240 1 832 . 1 1 76 76 VAL CA C 13 61.763 0.005 . 1 . . . . 76 VAL CA . 16240 1 833 . 1 1 76 76 VAL CB C 13 31.765 0.005 . 1 . . . . 76 VAL CB . 16240 1 834 . 1 1 76 76 VAL CG1 C 13 21.140 0.005 . 2 . . . . 76 VAL CG1 . 16240 1 835 . 1 1 76 76 VAL N N 15 124.192 0.005 . 1 . . . . 76 VAL N . 16240 1 836 . 1 1 77 77 GLN H H 1 8.892 0.005 . 1 . . . . 77 GLN HN . 16240 1 837 . 1 1 77 77 GLN HA H 1 4.757 0.005 . 1 . . . . 77 GLN HA . 16240 1 838 . 1 1 77 77 GLN HB2 H 1 1.748 0.005 . 2 . . . . 77 GLN HB2 . 16240 1 839 . 1 1 77 77 GLN HB3 H 1 2.153 0.001 . 2 . . . . 77 GLN HB3 . 16240 1 840 . 1 1 77 77 GLN C C 13 173.621 0.005 . 1 . . . . 77 GLN C . 16240 1 841 . 1 1 77 77 GLN CA C 13 54.139 0.005 . 1 . . . . 77 GLN CA . 16240 1 842 . 1 1 77 77 GLN CB C 13 33.327 0.005 . 1 . . . . 77 GLN CB . 16240 1 843 . 1 1 77 77 GLN N N 15 124.192 0.005 . 1 . . . . 77 GLN N . 16240 1 844 . 1 1 78 78 ARG H H 1 8.617 0.005 . 1 . . . . 78 ARG HN . 16240 1 845 . 1 1 78 78 ARG HA H 1 5.182 0.005 . 1 . . . . 78 ARG HA . 16240 1 846 . 1 1 78 78 ARG HB2 H 1 1.526 0.005 . 2 . . . . 78 ARG HB2 . 16240 1 847 . 1 1 78 78 ARG HB3 H 1 1.581 0.005 . 2 . . . . 78 ARG HB3 . 16240 1 848 . 1 1 78 78 ARG HD2 H 1 2.756 0.001 . 2 . . . . 78 ARG HD2 . 16240 1 849 . 1 1 78 78 ARG HD3 H 1 2.885 0.002 . 2 . . . . 78 ARG HD3 . 16240 1 850 . 1 1 78 78 ARG HG2 H 1 1.317 0.001 . 2 . . . . 78 ARG HG2 . 16240 1 851 . 1 1 78 78 ARG HG3 H 1 1.471 0.001 . 2 . . . . 78 ARG HG3 . 16240 1 852 . 1 1 78 78 ARG C C 13 176.247 0.005 . 1 . . . . 78 ARG C . 16240 1 853 . 1 1 78 78 ARG CA C 13 55.513 0.005 . 1 . . . . 78 ARG CA . 16240 1 854 . 1 1 78 78 ARG CB C 13 31.140 0.005 . 1 . . . . 78 ARG CB . 16240 1 855 . 1 1 78 78 ARG CD C 13 42.791 0.005 . 1 . . . . 78 ARG CD . 16240 1 856 . 1 1 78 78 ARG CG C 13 28.640 0.005 . 1 . . . . 78 ARG CG . 16240 1 857 . 1 1 78 78 ARG N N 15 122.908 0.005 . 1 . . . . 78 ARG N . 16240 1 858 . 1 1 79 79 VAL H H 1 9.384 0.005 . 1 . . . . 79 VAL HN . 16240 1 859 . 1 1 79 79 VAL HA H 1 4.885 0.005 . 1 . . . . 79 VAL HA . 16240 1 860 . 1 1 79 79 VAL HB H 1 2.144 0.006 . 1 . . . . 79 VAL HB . 16240 1 861 . 1 1 79 79 VAL HG11 H 1 0.897 0.001 . 2 . . . . 79 VAL HG11 . 16240 1 862 . 1 1 79 79 VAL HG12 H 1 0.897 0.001 . 2 . . . . 79 VAL HG11 . 16240 1 863 . 1 1 79 79 VAL HG13 H 1 0.897 0.001 . 2 . . . . 79 VAL HG11 . 16240 1 864 . 1 1 79 79 VAL HG21 H 1 0.975 0.002 . 2 . . . . 79 VAL HG21 . 16240 1 865 . 1 1 79 79 VAL HG22 H 1 0.975 0.002 . 2 . . . . 79 VAL HG21 . 16240 1 866 . 1 1 79 79 VAL HG23 H 1 0.975 0.002 . 2 . . . . 79 VAL HG21 . 16240 1 867 . 1 1 79 79 VAL CA C 13 58.425 0.005 . 1 . . . . 79 VAL CA . 16240 1 868 . 1 1 79 79 VAL CB C 13 34.889 0.005 . 1 . . . . 79 VAL CB . 16240 1 869 . 1 1 79 79 VAL CG1 C 13 20.828 0.005 . 2 . . . . 79 VAL CG1 . 16240 1 870 . 1 1 79 79 VAL CG2 C 13 21.453 0.005 . 2 . . . . 79 VAL CG2 . 16240 1 871 . 1 1 79 79 VAL N N 15 124.706 0.005 . 1 . . . . 79 VAL N . 16240 1 872 . 1 1 80 80 PRO HA H 1 4.416 0.001 . 1 . . . . 80 PRO HA . 16240 1 873 . 1 1 80 80 PRO HB2 H 1 2.013 0.008 . 2 . . . . 80 PRO HB2 . 16240 1 874 . 1 1 80 80 PRO HB3 H 1 2.392 0.005 . 2 . . . . 80 PRO HB3 . 16240 1 875 . 1 1 80 80 PRO HD2 H 1 3.702 0.005 . 2 . . . . 80 PRO HD2 . 16240 1 876 . 1 1 80 80 PRO HD3 H 1 3.983 0.003 . 2 . . . . 80 PRO HD3 . 16240 1 877 . 1 1 80 80 PRO HG2 H 1 1.998 0.001 . 2 . . . . 80 PRO HG2 . 16240 1 878 . 1 1 80 80 PRO HG3 H 1 2.138 0.002 . 2 . . . . 80 PRO HG3 . 16240 1 879 . 1 1 80 80 PRO C C 13 174.434 0.005 . 1 . . . . 80 PRO C . 16240 1 880 . 1 1 80 80 PRO CA C 13 63.013 0.005 . 1 . . . . 80 PRO CA . 16240 1 881 . 1 1 80 80 PRO CB C 13 32.390 0.005 . 1 . . . . 80 PRO CB . 16240 1 882 . 1 1 80 80 PRO CD C 13 51.451 0.005 . 1 . . . . 80 PRO CD . 16240 1 883 . 1 1 80 80 PRO CG C 13 27.810 0.005 . 1 . . . . 80 PRO CG . 16240 1 884 . 1 1 81 81 LYS H H 1 7.909 0.005 . 1 . . . . 81 LYS HN . 16240 1 885 . 1 1 81 81 LYS HA H 1 3.866 0.005 . 1 . . . . 81 LYS HA . 16240 1 886 . 1 1 81 81 LYS HB2 H 1 1.810 0.009 . 2 . . . . 81 LYS HB2 . 16240 1 887 . 1 1 81 81 LYS HB3 H 1 1.545 0.002 . 2 . . . . 81 LYS HB3 . 16240 1 888 . 1 1 81 81 LYS HD2 H 1 1.602 0.002 . 2 . . . . 81 LYS HD2 . 16240 1 889 . 1 1 81 81 LYS HE2 H 1 2.719 0.005 . 2 . . . . 81 LYS HE2 . 16240 1 890 . 1 1 81 81 LYS HE3 H 1 2.776 0.005 . 2 . . . . 81 LYS HE3 . 16240 1 891 . 1 1 81 81 LYS HG2 H 1 1.143 0.004 . 2 . . . . 81 LYS HG2 . 16240 1 892 . 1 1 81 81 LYS HG3 H 1 1.206 0.005 . 2 . . . . 81 LYS HG3 . 16240 1 893 . 1 1 81 81 LYS C C 13 177.851 0.005 . 1 . . . . 81 LYS C . 16240 1 894 . 1 1 81 81 LYS CA C 13 59.888 0.005 . 1 . . . . 81 LYS CA . 16240 1 895 . 1 1 81 81 LYS CB C 13 32.702 0.005 . 1 . . . . 81 LYS CB . 16240 1 896 . 1 1 81 81 LYS CD C 13 29.577 0.005 . 1 . . . . 81 LYS CD . 16240 1 897 . 1 1 81 81 LYS CE C 13 41.959 0.005 . 1 . . . . 81 LYS CE . 16240 1 898 . 1 1 81 81 LYS CG C 13 27.077 0.005 . 1 . . . . 81 LYS CG . 16240 1 899 . 1 1 81 81 LYS N N 15 120.082 0.005 . 1 . . . . 81 LYS N . 16240 1 900 . 1 1 82 82 ASP H H 1 8.179 0.005 . 1 . . . . 82 ASP HN . 16240 1 901 . 1 1 82 82 ASP HA H 1 4.314 0.005 . 1 . . . . 82 ASP HA . 16240 1 902 . 1 1 82 82 ASP HB2 H 1 2.599 0.005 . 2 . . . . 82 ASP HB2 . 16240 1 903 . 1 1 82 82 ASP HB3 H 1 2.695 0.005 . 2 . . . . 82 ASP HB3 . 16240 1 904 . 1 1 82 82 ASP C C 13 177.204 0.005 . 1 . . . . 82 ASP C . 16240 1 905 . 1 1 82 82 ASP CA C 13 55.201 0.005 . 1 . . . . 82 ASP CA . 16240 1 906 . 1 1 82 82 ASP CB C 13 39.889 0.005 . 1 . . . . 82 ASP CB . 16240 1 907 . 1 1 82 82 ASP N N 15 115.458 0.005 . 1 . . . . 82 ASP N . 16240 1 908 . 1 1 83 83 VAL H H 1 7.239 0.005 . 1 . . . . 83 VAL HN . 16240 1 909 . 1 1 83 83 VAL HA H 1 3.790 0.001 . 1 . . . . 83 VAL HA . 16240 1 910 . 1 1 83 83 VAL HB H 1 1.826 0.005 . 1 . . . . 83 VAL HB . 16240 1 911 . 1 1 83 83 VAL HG11 H 1 0.465 0.001 . 2 . . . . 83 VAL HG11 . 16240 1 912 . 1 1 83 83 VAL HG12 H 1 0.465 0.001 . 2 . . . . 83 VAL HG11 . 16240 1 913 . 1 1 83 83 VAL HG13 H 1 0.465 0.001 . 2 . . . . 83 VAL HG11 . 16240 1 914 . 1 1 83 83 VAL HG21 H 1 0.642 0.002 . 2 . . . . 83 VAL HG21 . 16240 1 915 . 1 1 83 83 VAL HG22 H 1 0.642 0.002 . 2 . . . . 83 VAL HG21 . 16240 1 916 . 1 1 83 83 VAL HG23 H 1 0.642 0.002 . 2 . . . . 83 VAL HG21 . 16240 1 917 . 1 1 83 83 VAL C C 13 175.713 0.005 . 1 . . . . 83 VAL C . 16240 1 918 . 1 1 83 83 VAL CA C 13 63.950 0.005 . 1 . . . . 83 VAL CA . 16240 1 919 . 1 1 83 83 VAL CB C 13 31.452 0.005 . 1 . . . . 83 VAL CB . 16240 1 920 . 1 1 83 83 VAL CG1 C 13 20.828 0.005 . 2 . . . . 83 VAL CG1 . 16240 1 921 . 1 1 83 83 VAL CG2 C 13 21.318 0.005 . 2 . . . . 83 VAL CG2 . 16240 1 922 . 1 1 83 83 VAL N N 15 116.486 0.005 . 1 . . . . 83 VAL N . 16240 1 923 . 1 1 84 84 PHE H H 1 7.438 0.005 . 1 . . . . 84 PHE HN . 16240 1 924 . 1 1 84 84 PHE HA H 1 4.472 0.003 . 1 . . . . 84 PHE HA . 16240 1 925 . 1 1 84 84 PHE HB2 H 1 2.715 0.001 . 2 . . . . 84 PHE HB2 . 16240 1 926 . 1 1 84 84 PHE HB3 H 1 2.923 0.001 . 2 . . . . 84 PHE HB3 . 16240 1 927 . 1 1 84 84 PHE HD1 H 1 6.905 0.005 . 3 . . . . 84 PHE HD1 . 16240 1 928 . 1 1 84 84 PHE HE1 H 1 6.727 0.005 . 3 . . . . 84 PHE HE1 . 16240 1 929 . 1 1 84 84 PHE C C 13 175.387 0.005 . 1 . . . . 84 PHE C . 16240 1 930 . 1 1 84 84 PHE CA C 13 57.076 0.005 . 1 . . . . 84 PHE CA . 16240 1 931 . 1 1 84 84 PHE CB C 13 38.952 0.005 . 1 . . . . 84 PHE CB . 16240 1 932 . 1 1 84 84 PHE CD1 C 13 131.487 0.005 . 3 . . . . 84 PHE CD1 . 16240 1 933 . 1 1 84 84 PHE CE1 C 13 131.154 0.005 . 3 . . . . 84 PHE CE1 . 16240 1 934 . 1 1 84 84 PHE N N 15 119.311 0.005 . 1 . . . . 84 PHE N . 16240 1 935 . 1 1 85 85 MET H H 1 7.844 0.005 . 1 . . . . 85 MET HN . 16240 1 936 . 1 1 85 85 MET HA H 1 4.348 0.001 . 1 . . . . 85 MET HA . 16240 1 937 . 1 1 85 85 MET HB2 H 1 2.042 0.004 . 2 . . . . 85 MET HB2 . 16240 1 938 . 1 1 85 85 MET HE1 H 1 2.059 0.005 . 1 . . . . 85 MET HE1 . 16240 1 939 . 1 1 85 85 MET HE2 H 1 2.059 0.005 . 1 . . . . 85 MET HE1 . 16240 1 940 . 1 1 85 85 MET HE3 H 1 2.059 0.005 . 1 . . . . 85 MET HE1 . 16240 1 941 . 1 1 85 85 MET HG2 H 1 2.501 0.005 . 2 . . . . 85 MET HG2 . 16240 1 942 . 1 1 85 85 MET HG3 H 1 2.567 0.002 . 2 . . . . 85 MET HG3 . 16240 1 943 . 1 1 85 85 MET C C 13 176.866 0.005 . 1 . . . . 85 MET C . 16240 1 944 . 1 1 85 85 MET CA C 13 56.451 0.005 . 1 . . . . 85 MET CA . 16240 1 945 . 1 1 85 85 MET CB C 13 32.702 0.005 . 1 . . . . 85 MET CB . 16240 1 946 . 1 1 85 85 MET CE C 13 16.766 0.005 . 1 . . . . 85 MET CE . 16240 1 947 . 1 1 85 85 MET CG C 13 31.452 0.005 . 1 . . . . 85 MET CG . 16240 1 948 . 1 1 85 85 MET N N 15 120.596 0.005 . 1 . . . . 85 MET N . 16240 1 949 . 1 1 86 86 GLY H H 1 8.576 0.005 . 1 . . . . 86 GLY HN . 16240 1 950 . 1 1 86 86 GLY HA2 H 1 3.873 0.001 . 2 . . . . 86 GLY HA2 . 16240 1 951 . 1 1 86 86 GLY HA3 H 1 4.007 0.001 . 2 . . . . 86 GLY HA3 . 16240 1 952 . 1 1 86 86 GLY C C 13 174.279 0.005 . 1 . . . . 86 GLY C . 16240 1 953 . 1 1 86 86 GLY CA C 13 45.826 0.005 . 1 . . . . 86 GLY CA . 16240 1 954 . 1 1 86 86 GLY N N 15 110.578 0.005 . 1 . . . . 86 GLY N . 16240 1 955 . 1 1 87 87 VAL H H 1 7.633 0.005 . 1 . . . . 87 VAL HN . 16240 1 956 . 1 1 87 87 VAL HA H 1 4.161 0.002 . 1 . . . . 87 VAL HA . 16240 1 957 . 1 1 87 87 VAL HB H 1 2.105 0.001 . 1 . . . . 87 VAL HB . 16240 1 958 . 1 1 87 87 VAL HG11 H 1 0.844 0.005 . 2 . . . . 87 VAL HG11 . 16240 1 959 . 1 1 87 87 VAL HG12 H 1 0.844 0.005 . 2 . . . . 87 VAL HG11 . 16240 1 960 . 1 1 87 87 VAL HG13 H 1 0.844 0.005 . 2 . . . . 87 VAL HG11 . 16240 1 961 . 1 1 87 87 VAL HG21 H 1 0.851 0.001 . 2 . . . . 87 VAL HG21 . 16240 1 962 . 1 1 87 87 VAL HG22 H 1 0.851 0.001 . 2 . . . . 87 VAL HG21 . 16240 1 963 . 1 1 87 87 VAL HG23 H 1 0.851 0.001 . 2 . . . . 87 VAL HG21 . 16240 1 964 . 1 1 87 87 VAL C C 13 175.685 0.005 . 1 . . . . 87 VAL C . 16240 1 965 . 1 1 87 87 VAL CA C 13 61.763 0.005 . 1 . . . . 87 VAL CA . 16240 1 966 . 1 1 87 87 VAL CB C 13 32.390 0.005 . 1 . . . . 87 VAL CB . 16240 1 967 . 1 1 87 87 VAL CG1 C 13 20.515 0.005 . 2 . . . . 87 VAL CG1 . 16240 1 968 . 1 1 87 87 VAL CG2 C 13 21.765 0.005 . 2 . . . . 87 VAL CG2 . 16240 1 969 . 1 1 87 87 VAL N N 15 118.541 0.005 . 1 . . . . 87 VAL N . 16240 1 970 . 1 1 88 88 ASP H H 1 8.350 0.005 . 1 . . . . 88 ASP HN . 16240 1 971 . 1 1 88 88 ASP HA H 1 4.490 0.003 . 1 . . . . 88 ASP HA . 16240 1 972 . 1 1 88 88 ASP HB2 H 1 2.572 0.005 . 2 . . . . 88 ASP HB2 . 16240 1 973 . 1 1 88 88 ASP HB3 H 1 2.669 0.001 . 2 . . . . 88 ASP HB3 . 16240 1 974 . 1 1 88 88 ASP C C 13 176.051 0.005 . 1 . . . . 88 ASP C . 16240 1 975 . 1 1 88 88 ASP CA C 13 55.513 0.005 . 1 . . . . 88 ASP CA . 16240 1 976 . 1 1 88 88 ASP CB C 13 41.451 0.005 . 1 . . . . 88 ASP CB . 16240 1 977 . 1 1 88 88 ASP N N 15 123.935 0.005 . 1 . . . . 88 ASP N . 16240 1 978 . 1 1 89 89 GLU H H 1 7.904 0.005 . 1 . . . . 89 GLU HN . 16240 1 979 . 1 1 89 89 GLU HA H 1 4.315 0.003 . 1 . . . . 89 GLU HA . 16240 1 980 . 1 1 89 89 GLU HB2 H 1 1.853 0.003 . 2 . . . . 89 GLU HB2 . 16240 1 981 . 1 1 89 89 GLU HB3 H 1 1.909 0.005 . 2 . . . . 89 GLU HB3 . 16240 1 982 . 1 1 89 89 GLU HG2 H 1 2.102 0.004 . 2 . . . . 89 GLU HG2 . 16240 1 983 . 1 1 89 89 GLU HG3 H 1 2.145 0.004 . 2 . . . . 89 GLU HG3 . 16240 1 984 . 1 1 89 89 GLU C C 13 174.969 0.005 . 1 . . . . 89 GLU C . 16240 1 985 . 1 1 89 89 GLU CA C 13 55.513 0.005 . 1 . . . . 89 GLU CA . 16240 1 986 . 1 1 89 89 GLU CB C 13 30.515 0.005 . 1 . . . . 89 GLU CB . 16240 1 987 . 1 1 89 89 GLU CG C 13 36.139 0.005 . 1 . . . . 89 GLU CG . 16240 1 988 . 1 1 89 89 GLU N N 15 118.798 0.005 . 1 . . . . 89 GLU N . 16240 1 989 . 1 1 90 90 LEU H H 1 8.127 0.005 . 1 . . . . 90 LEU HN . 16240 1 990 . 1 1 90 90 LEU HA H 1 4.203 0.002 . 1 . . . . 90 LEU HA . 16240 1 991 . 1 1 90 90 LEU HB2 H 1 1.067 0.002 . 2 . . . . 90 LEU HB2 . 16240 1 992 . 1 1 90 90 LEU HB3 H 1 1.558 0.005 . 2 . . . . 90 LEU HB3 . 16240 1 993 . 1 1 90 90 LEU HD11 H 1 0.453 0.004 . 2 . . . . 90 LEU HD11 . 16240 1 994 . 1 1 90 90 LEU HD12 H 1 0.453 0.004 . 2 . . . . 90 LEU HD11 . 16240 1 995 . 1 1 90 90 LEU HD13 H 1 0.453 0.004 . 2 . . . . 90 LEU HD11 . 16240 1 996 . 1 1 90 90 LEU HD21 H 1 0.610 0.005 . 2 . . . . 90 LEU HD21 . 16240 1 997 . 1 1 90 90 LEU HD22 H 1 0.610 0.005 . 2 . . . . 90 LEU HD21 . 16240 1 998 . 1 1 90 90 LEU HD23 H 1 0.610 0.005 . 2 . . . . 90 LEU HD21 . 16240 1 999 . 1 1 90 90 LEU HG H 1 1.456 0.002 . 1 . . . . 90 LEU HG . 16240 1 1000 . 1 1 90 90 LEU C C 13 175.769 0.005 . 1 . . . . 90 LEU C . 16240 1 1001 . 1 1 90 90 LEU CA C 13 54.888 0.005 . 1 . . . . 90 LEU CA . 16240 1 1002 . 1 1 90 90 LEU CB C 13 42.701 0.005 . 1 . . . . 90 LEU CB . 16240 1 1003 . 1 1 90 90 LEU CD1 C 13 23.640 0.005 . 2 . . . . 90 LEU CD1 . 16240 1 1004 . 1 1 90 90 LEU CD2 C 13 25.827 0.005 . 2 . . . . 90 LEU CD2 . 16240 1 1005 . 1 1 90 90 LEU CG C 13 26.765 0.005 . 1 . . . . 90 LEU CG . 16240 1 1006 . 1 1 90 90 LEU N N 15 123.935 0.005 . 1 . . . . 90 LEU N . 16240 1 1007 . 1 1 91 91 GLN H H 1 7.422 0.005 . 1 . . . . 91 GLN HN . 16240 1 1008 . 1 1 91 91 GLN HA H 1 4.622 0.002 . 1 . . . . 91 GLN HA . 16240 1 1009 . 1 1 91 91 GLN HB2 H 1 1.752 0.001 . 2 . . . . 91 GLN HB2 . 16240 1 1010 . 1 1 91 91 GLN HB3 H 1 2.097 0.004 . 2 . . . . 91 GLN HB3 . 16240 1 1011 . 1 1 91 91 GLN HG2 H 1 2.257 0.005 . 2 . . . . 91 GLN HG2 . 16240 1 1012 . 1 1 91 91 GLN HG3 H 1 2.291 0.007 . 2 . . . . 91 GLN HG3 . 16240 1 1013 . 1 1 91 91 GLN C C 13 175.404 0.005 . 1 . . . . 91 GLN C . 16240 1 1014 . 1 1 91 91 GLN CA C 13 53.638 0.005 . 1 . . . . 91 GLN CA . 16240 1 1015 . 1 1 91 91 GLN CB C 13 32.702 0.005 . 1 . . . . 91 GLN CB . 16240 1 1016 . 1 1 91 91 GLN CG C 13 32.804 0.005 . 1 . . . . 91 GLN CG . 16240 1 1017 . 1 1 91 91 GLN N N 15 119.825 0.005 . 1 . . . . 91 GLN N . 16240 1 1018 . 1 1 92 92 VAL H H 1 8.512 0.005 . 1 . . . . 92 VAL HN . 16240 1 1019 . 1 1 92 92 VAL HA H 1 3.371 0.001 . 1 . . . . 92 VAL HA . 16240 1 1020 . 1 1 92 92 VAL HB H 1 1.916 0.002 . 1 . . . . 92 VAL HB . 16240 1 1021 . 1 1 92 92 VAL HG11 H 1 0.925 0.002 . 2 . . . . 92 VAL HG11 . 16240 1 1022 . 1 1 92 92 VAL HG12 H 1 0.925 0.002 . 2 . . . . 92 VAL HG11 . 16240 1 1023 . 1 1 92 92 VAL HG13 H 1 0.925 0.002 . 2 . . . . 92 VAL HG11 . 16240 1 1024 . 1 1 92 92 VAL C C 13 177.147 0.005 . 1 . . . . 92 VAL C . 16240 1 1025 . 1 1 92 92 VAL CA C 13 64.888 0.005 . 1 . . . . 92 VAL CA . 16240 1 1026 . 1 1 92 92 VAL CB C 13 31.765 0.005 . 1 . . . . 92 VAL CB . 16240 1 1027 . 1 1 92 92 VAL CG1 C 13 21.765 0.005 . 2 . . . . 92 VAL CG1 . 16240 1 1028 . 1 1 92 92 VAL N N 15 121.109 0.005 . 1 . . . . 92 VAL N . 16240 1 1029 . 1 1 93 93 GLY H H 1 9.104 0.005 . 1 . . . . 93 GLY HN . 16240 1 1030 . 1 1 93 93 GLY HA2 H 1 3.844 0.002 . 2 . . . . 93 GLY HA2 . 16240 1 1031 . 1 1 93 93 GLY HA3 H 1 4.401 0.005 . 2 . . . . 93 GLY HA3 . 16240 1 1032 . 1 1 93 93 GLY C C 13 174.672 0.005 . 1 . . . . 93 GLY C . 16240 1 1033 . 1 1 93 93 GLY CA C 13 44.576 0.005 . 1 . . . . 93 GLY CA . 16240 1 1034 . 1 1 93 93 GLY N N 15 115.972 0.005 . 1 . . . . 93 GLY N . 16240 1 1035 . 1 1 94 94 MET H H 1 7.546 0.005 . 1 . . . . 94 MET HN . 16240 1 1036 . 1 1 94 94 MET HA H 1 4.315 0.002 . 1 . . . . 94 MET HA . 16240 1 1037 . 1 1 94 94 MET HB2 H 1 1.815 0.001 . 2 . . . . 94 MET HB2 . 16240 1 1038 . 1 1 94 94 MET HB3 H 1 1.899 0.003 . 2 . . . . 94 MET HB3 . 16240 1 1039 . 1 1 94 94 MET HE1 H 1 2.111 0.001 . 1 . . . . 94 MET HE1 . 16240 1 1040 . 1 1 94 94 MET HE2 H 1 2.111 0.001 . 1 . . . . 94 MET HE1 . 16240 1 1041 . 1 1 94 94 MET HE3 H 1 2.111 0.001 . 1 . . . . 94 MET HE1 . 16240 1 1042 . 1 1 94 94 MET HG2 H 1 2.451 0.005 . 2 . . . . 94 MET HG2 . 16240 1 1043 . 1 1 94 94 MET HG3 H 1 2.528 0.005 . 2 . . . . 94 MET HG3 . 16240 1 1044 . 1 1 94 94 MET C C 13 174.729 0.005 . 1 . . . . 94 MET C . 16240 1 1045 . 1 1 94 94 MET CA C 13 56.451 0.005 . 1 . . . . 94 MET CA . 16240 1 1046 . 1 1 94 94 MET CB C 13 33.639 0.005 . 1 . . . . 94 MET CB . 16240 1 1047 . 1 1 94 94 MET CE C 13 17.703 0.005 . 1 . . . . 94 MET CE . 16240 1 1048 . 1 1 94 94 MET CG C 13 32.304 0.005 . 1 . . . . 94 MET CG . 16240 1 1049 . 1 1 94 94 MET N N 15 119.825 0.005 . 1 . . . . 94 MET N . 16240 1 1050 . 1 1 95 95 ARG H H 1 8.250 0.005 . 1 . . . . 95 ARG HN . 16240 1 1051 . 1 1 95 95 ARG HA H 1 5.417 0.020 . 1 . . . . 95 ARG HA . 16240 1 1052 . 1 1 95 95 ARG HB2 H 1 1.545 0.019 . 2 . . . . 95 ARG HB2 . 16240 1 1053 . 1 1 95 95 ARG HB3 H 1 1.744 0.004 . 2 . . . . 95 ARG HB3 . 16240 1 1054 . 1 1 95 95 ARG HD2 H 1 3.043 0.001 . 2 . . . . 95 ARG HD2 . 16240 1 1055 . 1 1 95 95 ARG HD3 H 1 3.135 0.005 . 2 . . . . 95 ARG HD3 . 16240 1 1056 . 1 1 95 95 ARG HG2 H 1 1.678 0.006 . 2 . . . . 95 ARG HG2 . 16240 1 1057 . 1 1 95 95 ARG HG3 H 1 1.444 0.002 . 2 . . . . 95 ARG HG3 . 16240 1 1058 . 1 1 95 95 ARG C C 13 175.506 0.005 . 1 . . . . 95 ARG C . 16240 1 1059 . 1 1 95 95 ARG CA C 13 54.888 0.005 . 1 . . . . 95 ARG CA . 16240 1 1060 . 1 1 95 95 ARG CB C 13 32.637 0.005 . 1 . . . . 95 ARG CB . 16240 1 1061 . 1 1 95 95 ARG CD C 13 43.124 0.005 . 1 . . . . 95 ARG CD . 16240 1 1062 . 1 1 95 95 ARG CG C 13 28.015 0.005 . 1 . . . . 95 ARG CG . 16240 1 1063 . 1 1 95 95 ARG N N 15 121.880 0.005 . 1 . . . . 95 ARG N . 16240 1 1064 . 1 1 96 96 PHE H H 1 8.562 0.005 . 1 . . . . 96 PHE HN . 16240 1 1065 . 1 1 96 96 PHE HA H 1 4.804 0.005 . 1 . . . . 96 PHE HA . 16240 1 1066 . 1 1 96 96 PHE HB2 H 1 2.730 0.005 . 2 . . . . 96 PHE HB2 . 16240 1 1067 . 1 1 96 96 PHE HB3 H 1 3.219 0.001 . 2 . . . . 96 PHE HB3 . 16240 1 1068 . 1 1 96 96 PHE HD1 H 1 6.980 0.005 . 3 . . . . 96 PHE HD1 . 16240 1 1069 . 1 1 96 96 PHE HE1 H 1 6.997 0.005 . 3 . . . . 96 PHE HE1 . 16240 1 1070 . 1 1 96 96 PHE HZ H 1 7.091 0.005 . 1 . . . . 96 PHE HZ . 16240 1 1071 . 1 1 96 96 PHE CA C 13 55.928 0.005 . 1 . . . . 96 PHE CA . 16240 1 1072 . 1 1 96 96 PHE CB C 13 42.389 0.005 . 1 . . . . 96 PHE CB . 16240 1 1073 . 1 1 96 96 PHE CD1 C 13 131.820 0.005 . 3 . . . . 96 PHE CD1 . 16240 1 1074 . 1 1 96 96 PHE CE1 C 13 129.156 0.005 . 3 . . . . 96 PHE CE1 . 16240 1 1075 . 1 1 96 96 PHE CZ C 13 130.654 0.005 . 1 . . . . 96 PHE CZ . 16240 1 1076 . 1 1 96 96 PHE N N 15 119.311 0.005 . 1 . . . . 96 PHE N . 16240 1 1077 . 1 1 97 97 LEU HA H 1 4.696 0.005 . 1 . . . . 97 LEU HA . 16240 1 1078 . 1 1 97 97 LEU C C 13 175.712 0.005 . 1 . . . . 97 LEU C . 16240 1 1079 . 1 1 97 97 LEU CA C 13 54.248 0.005 . 1 . . . . 97 LEU CA . 16240 1 1080 . 1 1 98 98 ALA H H 1 8.917 0.005 . 1 . . . . 98 ALA HN . 16240 1 1081 . 1 1 98 98 ALA HA H 1 4.745 0.005 . 1 . . . . 98 ALA HA . 16240 1 1082 . 1 1 98 98 ALA HB1 H 1 1.246 0.001 . 1 . . . . 98 ALA HB1 . 16240 1 1083 . 1 1 98 98 ALA HB2 H 1 1.246 0.001 . 1 . . . . 98 ALA HB1 . 16240 1 1084 . 1 1 98 98 ALA HB3 H 1 1.246 0.001 . 1 . . . . 98 ALA HB1 . 16240 1 1085 . 1 1 98 98 ALA C C 13 176.472 0.005 . 1 . . . . 98 ALA C . 16240 1 1086 . 1 1 98 98 ALA CA C 13 50.669 0.005 . 1 . . . . 98 ALA CA . 16240 1 1087 . 1 1 98 98 ALA CB C 13 21.453 0.005 . 1 . . . . 98 ALA CB . 16240 1 1088 . 1 1 98 98 ALA N N 15 128.816 0.005 . 1 . . . . 98 ALA N . 16240 1 1089 . 1 1 99 99 GLU H H 1 8.582 0.005 . 1 . . . . 99 GLU HN . 16240 1 1090 . 1 1 99 99 GLU HA H 1 4.232 0.002 . 1 . . . . 99 GLU HA . 16240 1 1091 . 1 1 99 99 GLU HB2 H 1 1.951 0.003 . 2 . . . . 99 GLU HB2 . 16240 1 1092 . 1 1 99 99 GLU HG2 H 1 2.155 0.002 . 2 . . . . 99 GLU HG2 . 16240 1 1093 . 1 1 99 99 GLU HG3 H 1 2.235 0.002 . 2 . . . . 99 GLU HG3 . 16240 1 1094 . 1 1 99 99 GLU C C 13 176.388 0.005 . 1 . . . . 99 GLU C . 16240 1 1095 . 1 1 99 99 GLU CA C 13 56.763 0.005 . 1 . . . . 99 GLU CA . 16240 1 1096 . 1 1 99 99 GLU CB C 13 29.577 0.005 . 1 . . . . 99 GLU CB . 16240 1 1097 . 1 1 99 99 GLU CG C 13 35.827 0.005 . 1 . . . . 99 GLU CG . 16240 1 1098 . 1 1 99 99 GLU N N 15 121.623 0.005 . 1 . . . . 99 GLU N . 16240 1 1099 . 1 1 100 100 THR H H 1 7.488 0.005 . 1 . . . . 100 THR HN . 16240 1 1100 . 1 1 100 100 THR HA H 1 4.885 0.005 . 1 . . . . 100 THR HA . 16240 1 1101 . 1 1 100 100 THR HB H 1 4.477 0.001 . 1 . . . . 100 THR HB . 16240 1 1102 . 1 1 100 100 THR HG1 H 1 1.132 0.005 . 1 . . . . 100 THR HG1 . 16240 1 1103 . 1 1 100 100 THR HG21 H 1 1.140 0.005 . 1 . . . . 100 THR HG21 . 16240 1 1104 . 1 1 100 100 THR HG22 H 1 1.140 0.005 . 1 . . . . 100 THR HG21 . 16240 1 1105 . 1 1 100 100 THR HG23 H 1 1.140 0.005 . 1 . . . . 100 THR HG21 . 16240 1 1106 . 1 1 100 100 THR C C 13 175.991 0.005 . 1 . . . . 100 THR C . 16240 1 1107 . 1 1 100 100 THR CA C 13 60.395 0.005 . 1 . . . . 100 THR CA . 16240 1 1108 . 1 1 100 100 THR CB C 13 73.949 0.005 . 1 . . . . 100 THR CB . 16240 1 1109 . 1 1 100 100 THR CG2 C 13 21.140 0.005 . 1 . . . . 100 THR CG2 . 16240 1 1110 . 1 1 100 100 THR N N 15 114.945 0.005 . 1 . . . . 100 THR N . 16240 1 1111 . 1 1 101 101 ASP H H 1 9.070 0.005 . 1 . . . . 101 ASP HN . 16240 1 1112 . 1 1 101 101 ASP HA H 1 4.431 0.002 . 1 . . . . 101 ASP HA . 16240 1 1113 . 1 1 101 101 ASP HB2 H 1 2.730 0.003 . 2 . . . . 101 ASP HB2 . 16240 1 1114 . 1 1 101 101 ASP C C 13 176.866 0.005 . 1 . . . . 101 ASP C . 16240 1 1115 . 1 1 101 101 ASP CA C 13 56.763 0.005 . 1 . . . . 101 ASP CA . 16240 1 1116 . 1 1 101 101 ASP CB C 13 39.889 0.005 . 1 . . . . 101 ASP CB . 16240 1 1117 . 1 1 101 101 ASP N N 15 120.853 0.005 . 1 . . . . 101 ASP N . 16240 1 1118 . 1 1 102 102 GLN H H 1 8.053 0.005 . 1 . . . . 102 GLN HN . 16240 1 1119 . 1 1 102 102 GLN HA H 1 4.504 0.002 . 1 . . . . 102 GLN HA . 16240 1 1120 . 1 1 102 102 GLN HB2 H 1 1.766 0.002 . 2 . . . . 102 GLN HB2 . 16240 1 1121 . 1 1 102 102 GLN HB3 H 1 2.277 0.004 . 2 . . . . 102 GLN HB3 . 16240 1 1122 . 1 1 102 102 GLN HG2 H 1 2.288 0.004 . 2 . . . . 102 GLN HG2 . 16240 1 1123 . 1 1 102 102 GLN HG3 H 1 2.319 0.005 . 2 . . . . 102 GLN HG3 . 16240 1 1124 . 1 1 102 102 GLN C C 13 175.319 0.005 . 1 . . . . 102 GLN C . 16240 1 1125 . 1 1 102 102 GLN CA C 13 55.201 0.005 . 1 . . . . 102 GLN CA . 16240 1 1126 . 1 1 102 102 GLN CB C 13 29.265 0.005 . 1 . . . . 102 GLN CB . 16240 1 1127 . 1 1 102 102 GLN CG C 13 33.952 0.005 . 1 . . . . 102 GLN CG . 16240 1 1128 . 1 1 102 102 GLN N N 15 116.486 0.005 . 1 . . . . 102 GLN N . 16240 1 1129 . 1 1 103 103 GLY H H 1 7.533 0.005 . 1 . . . . 103 GLY HN . 16240 1 1130 . 1 1 103 103 GLY HA2 H 1 3.944 0.001 . 2 . . . . 103 GLY HA2 . 16240 1 1131 . 1 1 103 103 GLY HA3 H 1 4.583 0.001 . 2 . . . . 103 GLY HA3 . 16240 1 1132 . 1 1 103 103 GLY CA C 13 43.951 0.005 . 1 . . . . 103 GLY CA . 16240 1 1133 . 1 1 103 103 GLY N N 15 109.550 0.005 . 1 . . . . 103 GLY N . 16240 1 1134 . 1 1 104 104 PRO HA H 1 5.144 0.002 . 1 . . . . 104 PRO HA . 16240 1 1135 . 1 1 104 104 PRO HB2 H 1 1.770 0.006 . 2 . . . . 104 PRO HB2 . 16240 1 1136 . 1 1 104 104 PRO HB3 H 1 2.152 0.005 . 2 . . . . 104 PRO HB3 . 16240 1 1137 . 1 1 104 104 PRO HD2 H 1 3.635 0.003 . 2 . . . . 104 PRO HD2 . 16240 1 1138 . 1 1 104 104 PRO HD3 H 1 3.690 0.002 . 2 . . . . 104 PRO HD3 . 16240 1 1139 . 1 1 104 104 PRO HG2 H 1 2.061 0.003 . 2 . . . . 104 PRO HG2 . 16240 1 1140 . 1 1 104 104 PRO HG3 H 1 2.143 0.001 . 2 . . . . 104 PRO HG3 . 16240 1 1141 . 1 1 104 104 PRO C C 13 177.897 0.005 . 1 . . . . 104 PRO C . 16240 1 1142 . 1 1 104 104 PRO CA C 13 62.388 0.005 . 1 . . . . 104 PRO CA . 16240 1 1143 . 1 1 104 104 PRO CB C 13 31.765 0.005 . 1 . . . . 104 PRO CB . 16240 1 1144 . 1 1 104 104 PRO CD C 13 49.576 0.005 . 1 . . . . 104 PRO CD . 16240 1 1145 . 1 1 104 104 PRO CG C 13 27.390 0.005 . 1 . . . . 104 PRO CG . 16240 1 1146 . 1 1 105 105 VAL H H 1 9.063 0.005 . 1 . . . . 105 VAL HN . 16240 1 1147 . 1 1 105 105 VAL HA H 1 4.748 0.005 . 1 . . . . 105 VAL HA . 16240 1 1148 . 1 1 105 105 VAL HB H 1 2.135 0.005 . 1 . . . . 105 VAL HB . 16240 1 1149 . 1 1 105 105 VAL HG11 H 1 0.845 0.002 . 2 . . . . 105 VAL HG11 . 16240 1 1150 . 1 1 105 105 VAL HG12 H 1 0.845 0.002 . 2 . . . . 105 VAL HG11 . 16240 1 1151 . 1 1 105 105 VAL HG13 H 1 0.845 0.002 . 2 . . . . 105 VAL HG11 . 16240 1 1152 . 1 1 105 105 VAL CA C 13 58.258 0.005 . 1 . . . . 105 VAL CA . 16240 1 1153 . 1 1 105 105 VAL CB C 13 31.765 0.005 . 1 . . . . 105 VAL CB . 16240 1 1154 . 1 1 105 105 VAL CG1 C 13 20.203 0.005 . 2 . . . . 105 VAL CG1 . 16240 1 1155 . 1 1 105 105 VAL N N 15 122.908 0.005 . 1 . . . . 105 VAL N . 16240 1 1156 . 1 1 106 106 PRO HA H 1 4.851 0.005 . 1 . . . . 106 PRO HA . 16240 1 1157 . 1 1 106 106 PRO HB2 H 1 1.848 0.001 . 2 . . . . 106 PRO HB2 . 16240 1 1158 . 1 1 106 106 PRO HB3 H 1 2.103 0.005 . 2 . . . . 106 PRO HB3 . 16240 1 1159 . 1 1 106 106 PRO HD2 H 1 3.727 0.002 . 2 . . . . 106 PRO HD2 . 16240 1 1160 . 1 1 106 106 PRO HG2 H 1 1.897 0.002 . 2 . . . . 106 PRO HG2 . 16240 1 1161 . 1 1 106 106 PRO HG3 H 1 2.148 0.005 . 2 . . . . 106 PRO HG3 . 16240 1 1162 . 1 1 106 106 PRO C C 13 176.866 0.005 . 1 . . . . 106 PRO C . 16240 1 1163 . 1 1 106 106 PRO CA C 13 62.384 0.005 . 1 . . . . 106 PRO CA . 16240 1 1164 . 1 1 106 106 PRO CB C 13 31.452 0.005 . 1 . . . . 106 PRO CB . 16240 1 1165 . 1 1 106 106 PRO CD C 13 50.513 0.005 . 1 . . . . 106 PRO CD . 16240 1 1166 . 1 1 106 106 PRO CG C 13 27.702 0.005 . 1 . . . . 106 PRO CG . 16240 1 1167 . 1 1 107 107 VAL H H 1 8.939 0.005 . 1 . . . . 107 VAL HN . 16240 1 1168 . 1 1 107 107 VAL HA H 1 4.831 0.005 . 1 . . . . 107 VAL HA . 16240 1 1169 . 1 1 107 107 VAL HB H 1 1.726 0.005 . 1 . . . . 107 VAL HB . 16240 1 1170 . 1 1 107 107 VAL HG11 H 1 0.461 0.005 . 2 . . . . 107 VAL HG11 . 16240 1 1171 . 1 1 107 107 VAL HG12 H 1 0.461 0.005 . 2 . . . . 107 VAL HG11 . 16240 1 1172 . 1 1 107 107 VAL HG13 H 1 0.461 0.005 . 2 . . . . 107 VAL HG11 . 16240 1 1173 . 1 1 107 107 VAL HG21 H 1 0.756 0.002 . 2 . . . . 107 VAL HG21 . 16240 1 1174 . 1 1 107 107 VAL HG22 H 1 0.756 0.002 . 2 . . . . 107 VAL HG21 . 16240 1 1175 . 1 1 107 107 VAL HG23 H 1 0.756 0.002 . 2 . . . . 107 VAL HG21 . 16240 1 1176 . 1 1 107 107 VAL C C 13 173.806 0.005 . 1 . . . . 107 VAL C . 16240 1 1177 . 1 1 107 107 VAL CA C 13 59.068 0.005 . 1 . . . . 107 VAL CA . 16240 1 1178 . 1 1 107 107 VAL CB C 13 36.452 0.005 . 1 . . . . 107 VAL CB . 16240 1 1179 . 1 1 107 107 VAL CG1 C 13 19.265 0.005 . 2 . . . . 107 VAL CG1 . 16240 1 1180 . 1 1 107 107 VAL CG2 C 13 21.453 0.005 . 2 . . . . 107 VAL CG2 . 16240 1 1181 . 1 1 107 107 VAL N N 15 117.000 0.005 . 1 . . . . 107 VAL N . 16240 1 1182 . 1 1 108 108 GLU H H 1 7.811 0.005 . 1 . . . . 108 GLU HN . 16240 1 1183 . 1 1 108 108 GLU HA H 1 5.212 0.005 . 1 . . . . 108 GLU HA . 16240 1 1184 . 1 1 108 108 GLU HB2 H 1 1.898 0.002 . 2 . . . . 108 GLU HB2 . 16240 1 1185 . 1 1 108 108 GLU HG2 H 1 1.967 0.002 . 2 . . . . 108 GLU HG2 . 16240 1 1186 . 1 1 108 108 GLU C C 13 176.526 0.005 . 1 . . . . 108 GLU C . 16240 1 1187 . 1 1 108 108 GLU CA C 13 53.951 0.005 . 1 . . . . 108 GLU CA . 16240 1 1188 . 1 1 108 108 GLU CB C 13 33.952 0.005 . 1 . . . . 108 GLU CB . 16240 1 1189 . 1 1 108 108 GLU CG C 13 36.139 0.005 . 1 . . . . 108 GLU CG . 16240 1 1190 . 1 1 108 108 GLU N N 15 120.082 0.005 . 1 . . . . 108 GLU N . 16240 1 1191 . 1 1 109 109 ILE H H 1 8.791 0.005 . 1 . . . . 109 ILE HN . 16240 1 1192 . 1 1 109 109 ILE HA H 1 4.548 0.010 . 1 . . . . 109 ILE HA . 16240 1 1193 . 1 1 109 109 ILE HB H 1 2.167 0.002 . 1 . . . . 109 ILE HB . 16240 1 1194 . 1 1 109 109 ILE HD11 H 1 0.663 0.005 . 1 . . . . 109 ILE HD11 . 16240 1 1195 . 1 1 109 109 ILE HD12 H 1 0.663 0.005 . 1 . . . . 109 ILE HD11 . 16240 1 1196 . 1 1 109 109 ILE HD13 H 1 0.663 0.005 . 1 . . . . 109 ILE HD11 . 16240 1 1197 . 1 1 109 109 ILE HG12 H 1 1.119 0.001 . 2 . . . . 109 ILE HG12 . 16240 1 1198 . 1 1 109 109 ILE HG13 H 1 1.687 0.002 . 2 . . . . 109 ILE HG13 . 16240 1 1199 . 1 1 109 109 ILE HG21 H 1 0.711 0.003 . 1 . . . . 109 ILE HG21 . 16240 1 1200 . 1 1 109 109 ILE HG22 H 1 0.711 0.003 . 1 . . . . 109 ILE HG21 . 16240 1 1201 . 1 1 109 109 ILE HG23 H 1 0.711 0.003 . 1 . . . . 109 ILE HG21 . 16240 1 1202 . 1 1 109 109 ILE C C 13 177.339 0.005 . 1 . . . . 109 ILE C . 16240 1 1203 . 1 1 109 109 ILE CA C 13 61.763 0.005 . 1 . . . . 109 ILE CA . 16240 1 1204 . 1 1 109 109 ILE CB C 13 37.077 0.005 . 1 . . . . 109 ILE CB . 16240 1 1205 . 1 1 109 109 ILE CD1 C 13 13.328 0.005 . 1 . . . . 109 ILE CD1 . 16240 1 1206 . 1 1 109 109 ILE CG1 C 13 28.015 0.005 . 1 . . . . 109 ILE CG1 . 16240 1 1207 . 1 1 109 109 ILE CG2 C 13 18.328 0.005 . 1 . . . . 109 ILE CG2 . 16240 1 1208 . 1 1 109 109 ILE N N 15 124.192 0.005 . 1 . . . . 109 ILE N . 16240 1 1209 . 1 1 110 110 THR H H 1 9.392 0.005 . 1 . . . . 110 THR HN . 16240 1 1210 . 1 1 110 110 THR HA H 1 4.617 0.003 . 1 . . . . 110 THR HA . 16240 1 1211 . 1 1 110 110 THR HB H 1 4.332 0.001 . 1 . . . . 110 THR HB . 16240 1 1212 . 1 1 110 110 THR HG21 H 1 1.238 0.005 . 1 . . . . 110 THR HG21 . 16240 1 1213 . 1 1 110 110 THR HG22 H 1 1.238 0.005 . 1 . . . . 110 THR HG21 . 16240 1 1214 . 1 1 110 110 THR HG23 H 1 1.238 0.005 . 1 . . . . 110 THR HG21 . 16240 1 1215 . 1 1 110 110 THR C C 13 174.982 0.005 . 1 . . . . 110 THR C . 16240 1 1216 . 1 1 110 110 THR CA C 13 62.075 0.005 . 1 . . . . 110 THR CA . 16240 1 1217 . 1 1 110 110 THR CB C 13 68.950 0.005 . 1 . . . . 110 THR CB . 16240 1 1218 . 1 1 110 110 THR CG2 C 13 23.015 0.005 . 1 . . . . 110 THR CG2 . 16240 1 1219 . 1 1 110 110 THR N N 15 121.880 0.005 . 1 . . . . 110 THR N . 16240 1 1220 . 1 1 111 111 ALA H H 1 7.768 0.005 . 1 . . . . 111 ALA HN . 16240 1 1221 . 1 1 111 111 ALA HA H 1 4.441 0.002 . 1 . . . . 111 ALA HA . 16240 1 1222 . 1 1 111 111 ALA HB1 H 1 1.388 0.002 . 1 . . . . 111 ALA HB1 . 16240 1 1223 . 1 1 111 111 ALA HB2 H 1 1.388 0.002 . 1 . . . . 111 ALA HB1 . 16240 1 1224 . 1 1 111 111 ALA HB3 H 1 1.388 0.002 . 1 . . . . 111 ALA HB1 . 16240 1 1225 . 1 1 111 111 ALA C C 13 174.982 0.005 . 1 . . . . 111 ALA C . 16240 1 1226 . 1 1 111 111 ALA CA C 13 53.326 0.005 . 1 . . . . 111 ALA CA . 16240 1 1227 . 1 1 111 111 ALA CB C 13 21.453 0.005 . 1 . . . . 111 ALA CB . 16240 1 1228 . 1 1 111 111 ALA N N 15 122.651 0.005 . 1 . . . . 111 ALA N . 16240 1 1229 . 1 1 112 112 VAL H H 1 8.790 0.005 . 1 . . . . 112 VAL HN . 16240 1 1230 . 1 1 112 112 VAL HA H 1 4.202 0.001 . 1 . . . . 112 VAL HA . 16240 1 1231 . 1 1 112 112 VAL HB H 1 1.931 0.007 . 1 . . . . 112 VAL HB . 16240 1 1232 . 1 1 112 112 VAL HG11 H 1 0.701 0.005 . 2 . . . . 112 VAL HG11 . 16240 1 1233 . 1 1 112 112 VAL HG12 H 1 0.701 0.005 . 2 . . . . 112 VAL HG11 . 16240 1 1234 . 1 1 112 112 VAL HG13 H 1 0.701 0.005 . 2 . . . . 112 VAL HG11 . 16240 1 1235 . 1 1 112 112 VAL HG21 H 1 0.877 0.002 . 2 . . . . 112 VAL HG21 . 16240 1 1236 . 1 1 112 112 VAL HG22 H 1 0.877 0.002 . 2 . . . . 112 VAL HG21 . 16240 1 1237 . 1 1 112 112 VAL HG23 H 1 0.877 0.002 . 2 . . . . 112 VAL HG21 . 16240 1 1238 . 1 1 112 112 VAL C C 13 174.829 0.005 . 1 . . . . 112 VAL C . 16240 1 1239 . 1 1 112 112 VAL CA C 13 63.013 0.005 . 1 . . . . 112 VAL CA . 16240 1 1240 . 1 1 112 112 VAL CB C 13 33.327 0.005 . 1 . . . . 112 VAL CB . 16240 1 1241 . 1 1 112 112 VAL CG1 C 13 20.828 0.005 . 2 . . . . 112 VAL CG1 . 16240 1 1242 . 1 1 112 112 VAL CG2 C 13 21.453 0.005 . 2 . . . . 112 VAL CG2 . 16240 1 1243 . 1 1 112 112 VAL N N 15 121.880 0.005 . 1 . . . . 112 VAL N . 16240 1 1244 . 1 1 113 113 GLU H H 1 8.237 0.005 . 1 . . . . 113 GLU HN . 16240 1 1245 . 1 1 113 113 GLU HA H 1 4.708 0.005 . 1 . . . . 113 GLU HA . 16240 1 1246 . 1 1 113 113 GLU HB2 H 1 1.956 0.003 . 2 . . . . 113 GLU HB2 . 16240 1 1247 . 1 1 113 113 GLU C C 13 176.293 0.005 . 1 . . . . 113 GLU C . 16240 1 1248 . 1 1 113 113 GLU CA C 13 54.048 0.005 . 1 . . . . 113 GLU CA . 16240 1 1249 . 1 1 113 113 GLU CB C 13 33.327 0.005 . 1 . . . . 113 GLU CB . 16240 1 1250 . 1 1 113 113 GLU N N 15 126.761 0.005 . 1 . . . . 113 GLU N . 16240 1 1251 . 1 1 114 114 ASP H H 1 8.538 0.005 . 1 . . . . 114 ASP HN . 16240 1 1252 . 1 1 114 114 ASP HB2 H 1 3.068 0.006 . 2 . . . . 114 ASP HB2 . 16240 1 1253 . 1 1 114 114 ASP HB3 H 1 3.173 0.001 . 2 . . . . 114 ASP HB3 . 16240 1 1254 . 1 1 114 114 ASP C C 13 174.729 0.005 . 1 . . . . 114 ASP C . 16240 1 1255 . 1 1 114 114 ASP CA C 13 56.226 0.005 . 1 . . . . 114 ASP CA . 16240 1 1256 . 1 1 114 114 ASP CB C 13 43.639 0.005 . 1 . . . . 114 ASP CB . 16240 1 1257 . 1 1 114 114 ASP N N 15 119.825 0.005 . 1 . . . . 114 ASP N . 16240 1 1258 . 1 1 115 115 ASP H H 1 8.519 0.005 . 1 . . . . 115 ASP HN . 16240 1 1259 . 1 1 115 115 ASP HB2 H 1 2.735 0.005 . 2 . . . . 115 ASP HB2 . 16240 1 1260 . 1 1 115 115 ASP HB3 H 1 3.241 0.005 . 2 . . . . 115 ASP HB3 . 16240 1 1261 . 1 1 115 115 ASP C C 13 176.051 0.005 . 1 . . . . 115 ASP C . 16240 1 1262 . 1 1 115 115 ASP CA C 13 53.353 0.005 . 1 . . . . 115 ASP CA . 16240 1 1263 . 1 1 115 115 ASP CB C 13 41.965 0.005 . 1 . . . . 115 ASP CB . 16240 1 1264 . 1 1 115 115 ASP N N 15 121.366 0.005 . 1 . . . . 115 ASP N . 16240 1 1265 . 1 1 116 116 HIS H H 1 7.306 0.005 . 1 . . . . 116 HIS HN . 16240 1 1266 . 1 1 116 116 HIS HA H 1 5.201 0.002 . 1 . . . . 116 HIS HA . 16240 1 1267 . 1 1 116 116 HIS HB2 H 1 2.805 0.002 . 2 . . . . 116 HIS HB2 . 16240 1 1268 . 1 1 116 116 HIS HB3 H 1 2.993 0.005 . 2 . . . . 116 HIS HB3 . 16240 1 1269 . 1 1 116 116 HIS C C 13 172.478 0.005 . 1 . . . . 116 HIS C . 16240 1 1270 . 1 1 116 116 HIS CA C 13 56.138 0.005 . 1 . . . . 116 HIS CA . 16240 1 1271 . 1 1 116 116 HIS CB C 13 33.327 0.005 . 1 . . . . 116 HIS CB . 16240 1 1272 . 1 1 116 116 HIS N N 15 116.743 0.005 . 1 . . . . 116 HIS N . 16240 1 1273 . 1 1 117 117 VAL H H 1 9.242 0.005 . 1 . . . . 117 VAL HN . 16240 1 1274 . 1 1 117 117 VAL HA H 1 4.719 0.005 . 1 . . . . 117 VAL HA . 16240 1 1275 . 1 1 117 117 VAL HB H 1 2.193 0.005 . 1 . . . . 117 VAL HB . 16240 1 1276 . 1 1 117 117 VAL HG11 H 1 0.844 0.056 . 2 . . . . 117 VAL HG11 . 16240 1 1277 . 1 1 117 117 VAL HG12 H 1 0.844 0.056 . 2 . . . . 117 VAL HG11 . 16240 1 1278 . 1 1 117 117 VAL HG13 H 1 0.844 0.056 . 2 . . . . 117 VAL HG11 . 16240 1 1279 . 1 1 117 117 VAL HG21 H 1 0.896 0.005 . 2 . . . . 117 VAL HG21 . 16240 1 1280 . 1 1 117 117 VAL HG22 H 1 0.896 0.005 . 2 . . . . 117 VAL HG21 . 16240 1 1281 . 1 1 117 117 VAL HG23 H 1 0.896 0.005 . 2 . . . . 117 VAL HG21 . 16240 1 1282 . 1 1 117 117 VAL C C 13 173.946 0.005 . 1 . . . . 117 VAL C . 16240 1 1283 . 1 1 117 117 VAL CA C 13 59.605 0.005 . 1 . . . . 117 VAL CA . 16240 1 1284 . 1 1 117 117 VAL CB C 13 34.577 0.005 . 1 . . . . 117 VAL CB . 16240 1 1285 . 1 1 117 117 VAL CG1 C 13 20.046 0.469 . 2 . . . . 117 VAL CG1 . 16240 1 1286 . 1 1 117 117 VAL CG2 C 13 23.328 0.005 . 2 . . . . 117 VAL CG2 . 16240 1 1287 . 1 1 117 117 VAL N N 15 113.660 0.005 . 1 . . . . 117 VAL N . 16240 1 1288 . 1 1 118 118 VAL H H 1 8.783 0.005 . 1 . . . . 118 VAL HN . 16240 1 1289 . 1 1 118 118 VAL HA H 1 4.807 0.005 . 1 . . . . 118 VAL HA . 16240 1 1290 . 1 1 118 118 VAL HB H 1 1.970 0.001 . 1 . . . . 118 VAL HB . 16240 1 1291 . 1 1 118 118 VAL C C 13 175.875 0.005 . 1 . . . . 118 VAL C . 16240 1 1292 . 1 1 118 118 VAL CA C 13 62.195 0.005 . 1 . . . . 118 VAL CA . 16240 1 1293 . 1 1 118 118 VAL CB C 13 32.077 0.005 . 1 . . . . 118 VAL CB . 16240 1 1294 . 1 1 118 118 VAL N N 15 124.706 0.005 . 1 . . . . 118 VAL N . 16240 1 1295 . 1 1 119 119 VAL H H 1 9.157 0.005 . 1 . . . . 119 VAL HN . 16240 1 1296 . 1 1 119 119 VAL HA H 1 5.316 0.001 . 1 . . . . 119 VAL HA . 16240 1 1297 . 1 1 119 119 VAL HB H 1 1.885 0.001 . 1 . . . . 119 VAL HB . 16240 1 1298 . 1 1 119 119 VAL HG11 H 1 0.900 0.002 . 2 . . . . 119 VAL HG11 . 16240 1 1299 . 1 1 119 119 VAL HG12 H 1 0.900 0.002 . 2 . . . . 119 VAL HG11 . 16240 1 1300 . 1 1 119 119 VAL HG13 H 1 0.900 0.002 . 2 . . . . 119 VAL HG11 . 16240 1 1301 . 1 1 119 119 VAL C C 13 173.913 0.005 . 1 . . . . 119 VAL C . 16240 1 1302 . 1 1 119 119 VAL CA C 13 58.325 0.005 . 1 . . . . 119 VAL CA . 16240 1 1303 . 1 1 119 119 VAL CB C 13 33.952 0.005 . 1 . . . . 119 VAL CB . 16240 1 1304 . 1 1 119 119 VAL CG1 C 13 22.390 0.005 . 2 . . . . 119 VAL CG1 . 16240 1 1305 . 1 1 119 119 VAL N N 15 121.109 0.005 . 1 . . . . 119 VAL N . 16240 1 1306 . 1 1 120 120 ASP H H 1 9.016 0.005 . 1 . . . . 120 ASP HN . 16240 1 1307 . 1 1 120 120 ASP HA H 1 5.252 0.005 . 1 . . . . 120 ASP HA . 16240 1 1308 . 1 1 120 120 ASP HB2 H 1 2.498 0.001 . 2 . . . . 120 ASP HB2 . 16240 1 1309 . 1 1 120 120 ASP HB3 H 1 3.066 0.001 . 2 . . . . 120 ASP HB3 . 16240 1 1310 . 1 1 120 120 ASP CA C 13 53.013 0.005 . 1 . . . . 120 ASP CA . 16240 1 1311 . 1 1 120 120 ASP CB C 13 44.576 0.005 . 1 . . . . 120 ASP CB . 16240 1 1312 . 1 1 120 120 ASP N N 15 121.109 0.005 . 1 . . . . 120 ASP N . 16240 1 1313 . 1 1 121 121 GLY C C 13 174.504 0.005 . 1 . . . . 121 GLY C . 16240 1 1314 . 1 1 121 121 GLY CA C 13 45.458 0.005 . 1 . . . . 121 GLY CA . 16240 1 1315 . 1 1 122 122 ASN H H 1 8.866 0.005 . 1 . . . . 122 ASN HN . 16240 1 1316 . 1 1 122 122 ASN HA H 1 4.259 0.005 . 1 . . . . 122 ASN HA . 16240 1 1317 . 1 1 122 122 ASN HB2 H 1 2.259 0.001 . 2 . . . . 122 ASN HB2 . 16240 1 1318 . 1 1 122 122 ASN HB3 H 1 2.868 0.003 . 2 . . . . 122 ASN HB3 . 16240 1 1319 . 1 1 122 122 ASN C C 13 175.480 0.005 . 1 . . . . 122 ASN C . 16240 1 1320 . 1 1 122 122 ASN CA C 13 54.888 0.005 . 1 . . . . 122 ASN CA . 16240 1 1321 . 1 1 122 122 ASN CB C 13 40.202 0.005 . 1 . . . . 122 ASN CB . 16240 1 1322 . 1 1 122 122 ASN N N 15 120.596 0.005 . 1 . . . . 122 ASN N . 16240 1 1323 . 1 1 123 123 HIS H H 1 9.025 0.005 . 1 . . . . 123 HIS HN . 16240 1 1324 . 1 1 123 123 HIS HA H 1 4.092 0.005 . 1 . . . . 123 HIS HA . 16240 1 1325 . 1 1 123 123 HIS HB2 H 1 2.677 0.007 . 2 . . . . 123 HIS HB2 . 16240 1 1326 . 1 1 123 123 HIS HB3 H 1 3.283 0.005 . 2 . . . . 123 HIS HB3 . 16240 1 1327 . 1 1 123 123 HIS HD2 H 1 7.069 0.005 . 1 . . . . 123 HIS HD2 . 16240 1 1328 . 1 1 123 123 HIS C C 13 177.372 0.005 . 1 . . . . 123 HIS C . 16240 1 1329 . 1 1 123 123 HIS CA C 13 58.950 0.005 . 1 . . . . 123 HIS CA . 16240 1 1330 . 1 1 123 123 HIS CB C 13 31.140 0.005 . 1 . . . . 123 HIS CB . 16240 1 1331 . 1 1 123 123 HIS CD2 C 13 118.004 0.005 . 1 . . . . 123 HIS CD2 . 16240 1 1332 . 1 1 123 123 HIS N N 15 123.421 0.005 . 1 . . . . 123 HIS N . 16240 1 1333 . 1 1 124 124 MET H H 1 8.344 0.005 . 1 . . . . 124 MET HN . 16240 1 1334 . 1 1 124 124 MET HA H 1 4.117 0.004 . 1 . . . . 124 MET HA . 16240 1 1335 . 1 1 124 124 MET HB2 H 1 1.791 0.009 . 2 . . . . 124 MET HB2 . 16240 1 1336 . 1 1 124 124 MET HB3 H 1 1.940 0.002 . 2 . . . . 124 MET HB3 . 16240 1 1337 . 1 1 124 124 MET HE1 H 1 1.974 0.001 . 1 . . . . 124 MET HE1 . 16240 1 1338 . 1 1 124 124 MET HE2 H 1 1.974 0.001 . 1 . . . . 124 MET HE1 . 16240 1 1339 . 1 1 124 124 MET HE3 H 1 1.974 0.001 . 1 . . . . 124 MET HE1 . 16240 1 1340 . 1 1 124 124 MET HG2 H 1 2.285 0.002 . 2 . . . . 124 MET HG2 . 16240 1 1341 . 1 1 124 124 MET HG3 H 1 2.407 0.002 . 2 . . . . 124 MET HG3 . 16240 1 1342 . 1 1 124 124 MET CA C 13 58.950 0.005 . 1 . . . . 124 MET CA . 16240 1 1343 . 1 1 124 124 MET CB C 13 32.702 0.312 . 1 . . . . 124 MET CB . 16240 1 1344 . 1 1 124 124 MET CE C 13 17.078 0.005 . 1 . . . . 124 MET CE . 16240 1 1345 . 1 1 124 124 MET CG C 13 31.452 0.005 . 1 . . . . 124 MET CG . 16240 1 1346 . 1 1 124 124 MET N N 15 128.816 0.005 . 1 . . . . 124 MET N . 16240 1 1347 . 1 1 125 125 LEU HB2 H 1 1.546 0.002 . 2 . . . . 125 LEU HB2 . 16240 1 1348 . 1 1 125 125 LEU HB3 H 1 1.664 0.005 . 2 . . . . 125 LEU HB3 . 16240 1 1349 . 1 1 125 125 LEU HD11 H 1 0.714 0.004 . 2 . . . . 125 LEU HD11 . 16240 1 1350 . 1 1 125 125 LEU HD12 H 1 0.714 0.004 . 2 . . . . 125 LEU HD11 . 16240 1 1351 . 1 1 125 125 LEU HD13 H 1 0.714 0.004 . 2 . . . . 125 LEU HD11 . 16240 1 1352 . 1 1 125 125 LEU HD21 H 1 0.768 0.002 . 2 . . . . 125 LEU HD21 . 16240 1 1353 . 1 1 125 125 LEU HD22 H 1 0.768 0.002 . 2 . . . . 125 LEU HD21 . 16240 1 1354 . 1 1 125 125 LEU HD23 H 1 0.768 0.002 . 2 . . . . 125 LEU HD21 . 16240 1 1355 . 1 1 125 125 LEU C C 13 177.920 0.005 . 1 . . . . 125 LEU C . 16240 1 1356 . 1 1 125 125 LEU CA C 13 53.511 0.005 . 1 . . . . 125 LEU CA . 16240 1 1357 . 1 1 125 125 LEU CB C 13 41.139 0.005 . 1 . . . . 125 LEU CB . 16240 1 1358 . 1 1 125 125 LEU CD1 C 13 22.703 0.005 . 2 . . . . 125 LEU CD1 . 16240 1 1359 . 1 1 125 125 LEU CD2 C 13 25.827 0.005 . 2 . . . . 125 LEU CD2 . 16240 1 1360 . 1 1 126 126 ALA H H 1 8.190 0.005 . 1 . . . . 126 ALA HN . 16240 1 1361 . 1 1 126 126 ALA HA H 1 4.038 0.004 . 1 . . . . 126 ALA HA . 16240 1 1362 . 1 1 126 126 ALA HB1 H 1 1.492 0.005 . 1 . . . . 126 ALA HB1 . 16240 1 1363 . 1 1 126 126 ALA HB2 H 1 1.492 0.005 . 1 . . . . 126 ALA HB1 . 16240 1 1364 . 1 1 126 126 ALA HB3 H 1 1.492 0.005 . 1 . . . . 126 ALA HB1 . 16240 1 1365 . 1 1 126 126 ALA C C 13 179.088 0.005 . 1 . . . . 126 ALA C . 16240 1 1366 . 1 1 126 126 ALA CA C 13 54.263 0.005 . 1 . . . . 126 ALA CA . 16240 1 1367 . 1 1 126 126 ALA CB C 13 18.640 0.005 . 1 . . . . 126 ALA CB . 16240 1 1368 . 1 1 126 126 ALA N N 15 125.476 0.005 . 1 . . . . 126 ALA N . 16240 1 1369 . 1 1 127 127 GLY H H 1 9.586 0.005 . 1 . . . . 127 GLY HN . 16240 1 1370 . 1 1 127 127 GLY HA2 H 1 3.678 0.003 . 2 . . . . 127 GLY HA2 . 16240 1 1371 . 1 1 127 127 GLY HA3 H 1 4.295 0.007 . 2 . . . . 127 GLY HA3 . 16240 1 1372 . 1 1 127 127 GLY C C 13 173.660 0.005 . 1 . . . . 127 GLY C . 16240 1 1373 . 1 1 127 127 GLY CA C 13 45.826 0.005 . 1 . . . . 127 GLY CA . 16240 1 1374 . 1 1 127 127 GLY N N 15 109.550 0.005 . 1 . . . . 127 GLY N . 16240 1 1375 . 1 1 128 128 GLN H H 1 7.626 0.005 . 1 . . . . 128 GLN HN . 16240 1 1376 . 1 1 128 128 GLN HA H 1 4.498 0.005 . 1 . . . . 128 GLN HA . 16240 1 1377 . 1 1 128 128 GLN HB2 H 1 1.556 0.005 . 2 . . . . 128 GLN HB2 . 16240 1 1378 . 1 1 128 128 GLN HG2 H 1 1.823 0.005 . 2 . . . . 128 GLN HG2 . 16240 1 1379 . 1 1 128 128 GLN C C 13 174.945 0.005 . 1 . . . . 128 GLN C . 16240 1 1380 . 1 1 128 128 GLN CA C 13 54.971 0.005 . 1 . . . . 128 GLN CA . 16240 1 1381 . 1 1 128 128 GLN CB C 13 27.643 0.005 . 1 . . . . 128 GLN CB . 16240 1 1382 . 1 1 128 128 GLN CG C 13 26.811 0.005 . 1 . . . . 128 GLN CG . 16240 1 1383 . 1 1 128 128 GLN N N 15 117.256 0.005 . 1 . . . . 128 GLN N . 16240 1 1384 . 1 1 129 129 ASN H H 1 8.777 0.005 . 1 . . . . 129 ASN HN . 16240 1 1385 . 1 1 129 129 ASN HA H 1 4.951 0.008 . 1 . . . . 129 ASN HA . 16240 1 1386 . 1 1 129 129 ASN HB2 H 1 2.685 0.005 . 2 . . . . 129 ASN HB2 . 16240 1 1387 . 1 1 129 129 ASN HB3 H 1 3.057 0.001 . 2 . . . . 129 ASN HB3 . 16240 1 1388 . 1 1 129 129 ASN C C 13 175.131 0.005 . 1 . . . . 129 ASN C . 16240 1 1389 . 1 1 129 129 ASN CA C 13 52.701 0.005 . 1 . . . . 129 ASN CA . 16240 1 1390 . 1 1 129 129 ASN CB C 13 38.014 0.005 . 1 . . . . 129 ASN CB . 16240 1 1391 . 1 1 129 129 ASN N N 15 122.137 0.005 . 1 . . . . 129 ASN N . 16240 1 1392 . 1 1 130 130 LEU H H 1 8.836 0.005 . 1 . . . . 130 LEU HN . 16240 1 1393 . 1 1 130 130 LEU HA H 1 4.988 0.005 . 1 . . . . 130 LEU HA . 16240 1 1394 . 1 1 130 130 LEU HB2 H 1 1.013 0.001 . 2 . . . . 130 LEU HB2 . 16240 1 1395 . 1 1 130 130 LEU HB3 H 1 1.582 0.005 . 2 . . . . 130 LEU HB3 . 16240 1 1396 . 1 1 130 130 LEU HD11 H 1 0.706 0.001 . 2 . . . . 130 LEU HD11 . 16240 1 1397 . 1 1 130 130 LEU HD12 H 1 0.706 0.001 . 2 . . . . 130 LEU HD11 . 16240 1 1398 . 1 1 130 130 LEU HD13 H 1 0.706 0.001 . 2 . . . . 130 LEU HD11 . 16240 1 1399 . 1 1 130 130 LEU HD21 H 1 1.011 0.004 . 2 . . . . 130 LEU HD21 . 16240 1 1400 . 1 1 130 130 LEU HD22 H 1 1.011 0.004 . 2 . . . . 130 LEU HD21 . 16240 1 1401 . 1 1 130 130 LEU HD23 H 1 1.011 0.004 . 2 . . . . 130 LEU HD21 . 16240 1 1402 . 1 1 130 130 LEU HG H 1 1.123 0.005 . 1 . . . . 130 LEU HG . 16240 1 1403 . 1 1 130 130 LEU C C 13 176.135 0.005 . 1 . . . . 130 LEU C . 16240 1 1404 . 1 1 130 130 LEU CA C 13 53.638 0.005 . 1 . . . . 130 LEU CA . 16240 1 1405 . 1 1 130 130 LEU CB C 13 46.764 0.005 . 1 . . . . 130 LEU CB . 16240 1 1406 . 1 1 130 130 LEU CD1 C 13 23.328 0.005 . 2 . . . . 130 LEU CD1 . 16240 1 1407 . 1 1 130 130 LEU CD2 C 13 26.765 0.005 . 2 . . . . 130 LEU CD2 . 16240 1 1408 . 1 1 130 130 LEU N N 15 120.596 0.005 . 1 . . . . 130 LEU N . 16240 1 1409 . 1 1 131 131 LYS H H 1 8.927 0.005 . 1 . . . . 131 LYS HN . 16240 1 1410 . 1 1 131 131 LYS HA H 1 5.003 0.001 . 1 . . . . 131 LYS HA . 16240 1 1411 . 1 1 131 131 LYS HB2 H 1 1.546 0.001 . 2 . . . . 131 LYS HB2 . 16240 1 1412 . 1 1 131 131 LYS HB3 H 1 1.776 0.002 . 2 . . . . 131 LYS HB3 . 16240 1 1413 . 1 1 131 131 LYS HG2 H 1 1.621 0.005 . 2 . . . . 131 LYS HG2 . 16240 1 1414 . 1 1 131 131 LYS C C 13 175.596 0.005 . 1 . . . . 131 LYS C . 16240 1 1415 . 1 1 131 131 LYS CA C 13 55.201 0.005 . 1 . . . . 131 LYS CA . 16240 1 1416 . 1 1 131 131 LYS CB C 13 34.264 0.005 . 1 . . . . 131 LYS CB . 16240 1 1417 . 1 1 131 131 LYS CG C 13 28.642 0.005 . 1 . . . . 131 LYS CG . 16240 1 1418 . 1 1 131 131 LYS N N 15 121.366 0.005 . 1 . . . . 131 LYS N . 16240 1 1419 . 1 1 132 132 PHE H H 1 9.541 0.005 . 1 . . . . 132 PHE HN . 16240 1 1420 . 1 1 132 132 PHE HA H 1 5.517 0.002 . 1 . . . . 132 PHE HA . 16240 1 1421 . 1 1 132 132 PHE HB2 H 1 2.549 0.001 . 2 . . . . 132 PHE HB2 . 16240 1 1422 . 1 1 132 132 PHE HB3 H 1 3.062 0.005 . 2 . . . . 132 PHE HB3 . 16240 1 1423 . 1 1 132 132 PHE HE1 H 1 6.891 0.005 . 3 . . . . 132 PHE HE1 . 16240 1 1424 . 1 1 132 132 PHE C C 13 175.805 0.005 . 1 . . . . 132 PHE C . 16240 1 1425 . 1 1 132 132 PHE CA C 13 56.763 0.005 . 1 . . . . 132 PHE CA . 16240 1 1426 . 1 1 132 132 PHE CB C 13 42.389 0.005 . 1 . . . . 132 PHE CB . 16240 1 1427 . 1 1 132 132 PHE CE1 C 13 131.653 0.005 . 3 . . . . 132 PHE CE1 . 16240 1 1428 . 1 1 132 132 PHE N N 15 124.706 0.005 . 1 . . . . 132 PHE N . 16240 1 1429 . 1 1 133 133 ASN H H 1 8.787 0.005 . 1 . . . . 133 ASN HN . 16240 1 1430 . 1 1 133 133 ASN HA H 1 5.340 0.007 . 1 . . . . 133 ASN HA . 16240 1 1431 . 1 1 133 133 ASN HB2 H 1 2.721 0.005 . 2 . . . . 133 ASN HB2 . 16240 1 1432 . 1 1 133 133 ASN C C 13 174.504 0.005 . 1 . . . . 133 ASN C . 16240 1 1433 . 1 1 133 133 ASN CA C 13 53.951 0.005 . 1 . . . . 133 ASN CA . 16240 1 1434 . 1 1 133 133 ASN CB C 13 41.451 0.005 . 1 . . . . 133 ASN CB . 16240 1 1435 . 1 1 133 133 ASN N N 15 121.623 0.005 . 1 . . . . 133 ASN N . 16240 1 1436 . 1 1 134 134 VAL H H 1 8.863 0.005 . 1 . . . . 134 VAL HN . 16240 1 1437 . 1 1 134 134 VAL HA H 1 4.912 0.002 . 1 . . . . 134 VAL HA . 16240 1 1438 . 1 1 134 134 VAL HB H 1 1.119 0.001 . 1 . . . . 134 VAL HB . 16240 1 1439 . 1 1 134 134 VAL HG11 H 1 0.238 0.001 . 2 . . . . 134 VAL HG11 . 16240 1 1440 . 1 1 134 134 VAL HG12 H 1 0.238 0.001 . 2 . . . . 134 VAL HG11 . 16240 1 1441 . 1 1 134 134 VAL HG13 H 1 0.238 0.001 . 2 . . . . 134 VAL HG11 . 16240 1 1442 . 1 1 134 134 VAL HG21 H 1 0.581 0.002 . 2 . . . . 134 VAL HG21 . 16240 1 1443 . 1 1 134 134 VAL HG22 H 1 0.581 0.002 . 2 . . . . 134 VAL HG21 . 16240 1 1444 . 1 1 134 134 VAL HG23 H 1 0.581 0.002 . 2 . . . . 134 VAL HG21 . 16240 1 1445 . 1 1 134 134 VAL C C 13 173.597 0.005 . 1 . . . . 134 VAL C . 16240 1 1446 . 1 1 134 134 VAL CA C 13 60.513 0.005 . 1 . . . . 134 VAL CA . 16240 1 1447 . 1 1 134 134 VAL CB C 13 34.889 0.005 . 1 . . . . 134 VAL CB . 16240 1 1448 . 1 1 134 134 VAL CG1 C 13 20.828 0.005 . 2 . . . . 134 VAL CG1 . 16240 1 1449 . 1 1 134 134 VAL CG2 C 13 22.703 0.005 . 2 . . . . 134 VAL CG2 . 16240 1 1450 . 1 1 134 134 VAL N N 15 121.623 0.005 . 1 . . . . 134 VAL N . 16240 1 1451 . 1 1 135 135 GLU H H 1 8.964 0.005 . 1 . . . . 135 GLU HN . 16240 1 1452 . 1 1 135 135 GLU HA H 1 5.315 0.002 . 1 . . . . 135 GLU HA . 16240 1 1453 . 1 1 135 135 GLU HB2 H 1 1.808 0.002 . 2 . . . . 135 GLU HB2 . 16240 1 1454 . 1 1 135 135 GLU HG2 H 1 1.739 0.005 . 2 . . . . 135 GLU HG2 . 16240 1 1455 . 1 1 135 135 GLU HG3 H 1 1.959 0.005 . 2 . . . . 135 GLU HG3 . 16240 1 1456 . 1 1 135 135 GLU C C 13 175.666 0.005 . 1 . . . . 135 GLU C . 16240 1 1457 . 1 1 135 135 GLU CA C 13 54.263 0.005 . 1 . . . . 135 GLU CA . 16240 1 1458 . 1 1 135 135 GLU CB C 13 33.015 0.005 . 1 . . . . 135 GLU CB . 16240 1 1459 . 1 1 135 135 GLU CG C 13 35.300 0.005 . 1 . . . . 135 GLU CG . 16240 1 1460 . 1 1 135 135 GLU N N 15 124.706 0.005 . 1 . . . . 135 GLU N . 16240 1 1461 . 1 1 136 136 VAL H H 1 8.354 0.005 . 1 . . . . 136 VAL HN . 16240 1 1462 . 1 1 136 136 VAL HA H 1 4.142 0.005 . 1 . . . . 136 VAL HA . 16240 1 1463 . 1 1 136 136 VAL HB H 1 2.503 0.005 . 1 . . . . 136 VAL HB . 16240 1 1464 . 1 1 136 136 VAL HG21 H 1 0.869 0.002 . 2 . . . . 136 VAL HG21 . 16240 1 1465 . 1 1 136 136 VAL HG22 H 1 0.869 0.002 . 2 . . . . 136 VAL HG21 . 16240 1 1466 . 1 1 136 136 VAL HG23 H 1 0.869 0.002 . 2 . . . . 136 VAL HG21 . 16240 1 1467 . 1 1 136 136 VAL C C 13 176.177 0.005 . 1 . . . . 136 VAL C . 16240 1 1468 . 1 1 136 136 VAL CA C 13 63.013 0.005 . 1 . . . . 136 VAL CA . 16240 1 1469 . 1 1 136 136 VAL CB C 13 30.515 0.005 . 1 . . . . 136 VAL CB . 16240 1 1470 . 1 1 136 136 VAL CG2 C 13 20.828 0.005 . 2 . . . . 136 VAL CG2 . 16240 1 1471 . 1 1 136 136 VAL N N 15 125.733 0.005 . 1 . . . . 136 VAL N . 16240 1 1472 . 1 1 137 137 VAL H H 1 8.943 0.005 . 1 . . . . 137 VAL HN . 16240 1 1473 . 1 1 137 137 VAL HA H 1 4.079 0.001 . 1 . . . . 137 VAL HA . 16240 1 1474 . 1 1 137 137 VAL HB H 1 1.812 0.001 . 1 . . . . 137 VAL HB . 16240 1 1475 . 1 1 137 137 VAL HG11 H 1 0.937 0.001 . 2 . . . . 137 VAL HG11 . 16240 1 1476 . 1 1 137 137 VAL HG12 H 1 0.937 0.001 . 2 . . . . 137 VAL HG11 . 16240 1 1477 . 1 1 137 137 VAL HG13 H 1 0.937 0.001 . 2 . . . . 137 VAL HG11 . 16240 1 1478 . 1 1 137 137 VAL C C 13 175.291 0.005 . 1 . . . . 137 VAL C . 16240 1 1479 . 1 1 137 137 VAL CA C 13 64.575 0.005 . 1 . . . . 137 VAL CA . 16240 1 1480 . 1 1 137 137 VAL CB C 13 33.639 0.005 . 1 . . . . 137 VAL CB . 16240 1 1481 . 1 1 137 137 VAL CG1 C 13 22.703 0.005 . 2 . . . . 137 VAL CG1 . 16240 1 1482 . 1 1 137 137 VAL N N 15 130.357 0.005 . 1 . . . . 137 VAL N . 16240 1 1483 . 1 1 138 138 ALA H H 1 7.775 0.005 . 1 . . . . 138 ALA HN . 16240 1 1484 . 1 1 138 138 ALA HA H 1 4.578 0.002 . 1 . . . . 138 ALA HA . 16240 1 1485 . 1 1 138 138 ALA HB1 H 1 1.388 0.002 . 1 . . . . 138 ALA HB1 . 16240 1 1486 . 1 1 138 138 ALA HB2 H 1 1.388 0.002 . 1 . . . . 138 ALA HB1 . 16240 1 1487 . 1 1 138 138 ALA HB3 H 1 1.388 0.002 . 1 . . . . 138 ALA HB1 . 16240 1 1488 . 1 1 138 138 ALA C C 13 174.475 0.005 . 1 . . . . 138 ALA C . 16240 1 1489 . 1 1 138 138 ALA CA C 13 52.388 0.005 . 1 . . . . 138 ALA CA . 16240 1 1490 . 1 1 138 138 ALA CB C 13 22.078 0.005 . 1 . . . . 138 ALA CB . 16240 1 1491 . 1 1 138 138 ALA N N 15 118.541 0.005 . 1 . . . . 138 ALA N . 16240 1 1492 . 1 1 139 139 ILE H H 1 8.132 0.005 . 1 . . . . 139 ILE HN . 16240 1 1493 . 1 1 139 139 ILE HA H 1 4.704 0.005 . 1 . . . . 139 ILE HA . 16240 1 1494 . 1 1 139 139 ILE HB H 1 1.260 0.005 . 1 . . . . 139 ILE HB . 16240 1 1495 . 1 1 139 139 ILE HD11 H 1 0.594 0.003 . 1 . . . . 139 ILE HD11 . 16240 1 1496 . 1 1 139 139 ILE HD12 H 1 0.594 0.003 . 1 . . . . 139 ILE HD11 . 16240 1 1497 . 1 1 139 139 ILE HD13 H 1 0.594 0.003 . 1 . . . . 139 ILE HD11 . 16240 1 1498 . 1 1 139 139 ILE HG12 H 1 0.822 0.001 . 2 . . . . 139 ILE HG12 . 16240 1 1499 . 1 1 139 139 ILE HG21 H 1 0.711 0.001 . 1 . . . . 139 ILE HG21 . 16240 1 1500 . 1 1 139 139 ILE HG22 H 1 0.711 0.001 . 1 . . . . 139 ILE HG21 . 16240 1 1501 . 1 1 139 139 ILE HG23 H 1 0.711 0.001 . 1 . . . . 139 ILE HG21 . 16240 1 1502 . 1 1 139 139 ILE C C 13 173.806 0.005 . 1 . . . . 139 ILE C . 16240 1 1503 . 1 1 139 139 ILE CA C 13 61.576 0.005 . 1 . . . . 139 ILE CA . 16240 1 1504 . 1 1 139 139 ILE CB C 13 43.326 0.005 . 1 . . . . 139 ILE CB . 16240 1 1505 . 1 1 139 139 ILE CD1 C 13 15.203 0.005 . 1 . . . . 139 ILE CD1 . 16240 1 1506 . 1 1 139 139 ILE CG1 C 13 24.890 0.005 . 1 . . . . 139 ILE CG1 . 16240 1 1507 . 1 1 139 139 ILE CG2 C 13 19.890 0.005 . 1 . . . . 139 ILE CG2 . 16240 1 1508 . 1 1 139 139 ILE N N 15 118.798 0.005 . 1 . . . . 139 ILE N . 16240 1 1509 . 1 1 140 140 ARG H H 1 9.037 0.005 . 1 . . . . 140 ARG HN . 16240 1 1510 . 1 1 140 140 ARG HA H 1 4.831 0.005 . 1 . . . . 140 ARG HA . 16240 1 1511 . 1 1 140 140 ARG HB2 H 1 1.731 0.005 . 2 . . . . 140 ARG HB2 . 16240 1 1512 . 1 1 140 140 ARG HB3 H 1 1.832 0.005 . 2 . . . . 140 ARG HB3 . 16240 1 1513 . 1 1 140 140 ARG C C 13 174.225 0.005 . 1 . . . . 140 ARG C . 16240 1 1514 . 1 1 140 140 ARG CA C 13 54.207 0.005 . 1 . . . . 140 ARG CA . 16240 1 1515 . 1 1 140 140 ARG CB C 13 32.804 0.005 . 1 . . . . 140 ARG CB . 16240 1 1516 . 1 1 140 140 ARG N N 15 122.137 0.005 . 1 . . . . 140 ARG N . 16240 1 1517 . 1 1 141 141 GLU H H 1 8.623 0.005 . 1 . . . . 141 GLU HN . 16240 1 1518 . 1 1 141 141 GLU HA H 1 4.343 0.001 . 1 . . . . 141 GLU HA . 16240 1 1519 . 1 1 141 141 GLU HB2 H 1 2.055 0.002 . 2 . . . . 141 GLU HB2 . 16240 1 1520 . 1 1 141 141 GLU HG2 H 1 2.242 0.021 . 2 . . . . 141 GLU HG2 . 16240 1 1521 . 1 1 141 141 GLU C C 13 177.339 0.005 . 1 . . . . 141 GLU C . 16240 1 1522 . 1 1 141 141 GLU CA C 13 57.076 0.005 . 1 . . . . 141 GLU CA . 16240 1 1523 . 1 1 141 141 GLU CB C 13 30.202 0.005 . 1 . . . . 141 GLU CB . 16240 1 1524 . 1 1 141 141 GLU CG C 13 37.702 0.005 . 1 . . . . 141 GLU CG . 16240 1 1525 . 1 1 141 141 GLU N N 15 119.055 0.005 . 1 . . . . 141 GLU N . 16240 1 1526 . 1 1 142 142 ALA H H 1 8.535 0.005 . 1 . . . . 142 ALA HN . 16240 1 1527 . 1 1 142 142 ALA HA H 1 4.458 0.003 . 1 . . . . 142 ALA HA . 16240 1 1528 . 1 1 142 142 ALA HB1 H 1 1.260 0.004 . 1 . . . . 142 ALA HB1 . 16240 1 1529 . 1 1 142 142 ALA HB2 H 1 1.260 0.004 . 1 . . . . 142 ALA HB1 . 16240 1 1530 . 1 1 142 142 ALA HB3 H 1 1.260 0.004 . 1 . . . . 142 ALA HB1 . 16240 1 1531 . 1 1 142 142 ALA C C 13 178.498 0.005 . 1 . . . . 142 ALA C . 16240 1 1532 . 1 1 142 142 ALA CA C 13 51.138 0.005 . 1 . . . . 142 ALA CA . 16240 1 1533 . 1 1 142 142 ALA CB C 13 21.140 0.005 . 1 . . . . 142 ALA CB . 16240 1 1534 . 1 1 142 142 ALA N N 15 126.761 0.005 . 1 . . . . 142 ALA N . 16240 1 1535 . 1 1 143 143 THR H H 1 9.600 0.005 . 1 . . . . 143 THR HN . 16240 1 1536 . 1 1 143 143 THR HA H 1 4.444 0.002 . 1 . . . . 143 THR HA . 16240 1 1537 . 1 1 143 143 THR HB H 1 4.733 0.005 . 1 . . . . 143 THR HB . 16240 1 1538 . 1 1 143 143 THR HG21 H 1 1.262 0.005 . 1 . . . . 143 THR HG21 . 16240 1 1539 . 1 1 143 143 THR HG22 H 1 1.262 0.005 . 1 . . . . 143 THR HG21 . 16240 1 1540 . 1 1 143 143 THR HG23 H 1 1.262 0.005 . 1 . . . . 143 THR HG21 . 16240 1 1541 . 1 1 143 143 THR C C 13 175.317 0.005 . 1 . . . . 143 THR C . 16240 1 1542 . 1 1 143 143 THR CA C 13 60.513 0.005 . 1 . . . . 143 THR CA . 16240 1 1543 . 1 1 143 143 THR CB C 13 70.705 0.005 . 1 . . . . 143 THR CB . 16240 1 1544 . 1 1 143 143 THR CG2 C 13 21.765 0.005 . 1 . . . . 143 THR CG2 . 16240 1 1545 . 1 1 143 143 THR N N 15 114.174 0.005 . 1 . . . . 143 THR N . 16240 1 1546 . 1 1 144 144 GLU H H 1 8.888 0.005 . 1 . . . . 144 GLU HN . 16240 1 1547 . 1 1 144 144 GLU HA H 1 3.890 0.005 . 1 . . . . 144 GLU HA . 16240 1 1548 . 1 1 144 144 GLU HB2 H 1 2.021 0.002 . 2 . . . . 144 GLU HB2 . 16240 1 1549 . 1 1 144 144 GLU HG2 H 1 2.253 0.002 . 2 . . . . 144 GLU HG2 . 16240 1 1550 . 1 1 144 144 GLU HG3 H 1 2.352 0.001 . 2 . . . . 144 GLU HG3 . 16240 1 1551 . 1 1 144 144 GLU C C 13 179.510 0.005 . 1 . . . . 144 GLU C . 16240 1 1552 . 1 1 144 144 GLU CA C 13 60.200 0.005 . 1 . . . . 144 GLU CA . 16240 1 1553 . 1 1 144 144 GLU CB C 13 29.577 0.005 . 1 . . . . 144 GLU CB . 16240 1 1554 . 1 1 144 144 GLU CG C 13 36.452 0.005 . 1 . . . . 144 GLU CG . 16240 1 1555 . 1 1 144 144 GLU N N 15 120.082 0.005 . 1 . . . . 144 GLU N . 16240 1 1556 . 1 1 145 145 GLU H H 1 8.406 0.005 . 1 . . . . 145 GLU HN . 16240 1 1557 . 1 1 145 145 GLU HA H 1 3.972 0.002 . 1 . . . . 145 GLU HA . 16240 1 1558 . 1 1 145 145 GLU HB2 H 1 1.848 0.001 . 2 . . . . 145 GLU HB2 . 16240 1 1559 . 1 1 145 145 GLU HB3 H 1 1.995 0.003 . 2 . . . . 145 GLU HB3 . 16240 1 1560 . 1 1 145 145 GLU HG2 H 1 2.158 0.010 . 2 . . . . 145 GLU HG2 . 16240 1 1561 . 1 1 145 145 GLU C C 13 178.610 0.005 . 1 . . . . 145 GLU C . 16240 1 1562 . 1 1 145 145 GLU CA C 13 59.888 0.005 . 1 . . . . 145 GLU CA . 16240 1 1563 . 1 1 145 145 GLU CB C 13 29.577 0.005 . 1 . . . . 145 GLU CB . 16240 1 1564 . 1 1 145 145 GLU CG C 13 36.764 0.005 . 1 . . . . 145 GLU CG . 16240 1 1565 . 1 1 145 145 GLU N N 15 119.311 0.005 . 1 . . . . 145 GLU N . 16240 1 1566 . 1 1 146 146 GLU H H 1 7.603 0.005 . 1 . . . . 146 GLU HN . 16240 1 1567 . 1 1 146 146 GLU HA H 1 3.934 0.003 . 1 . . . . 146 GLU HA . 16240 1 1568 . 1 1 146 146 GLU HB2 H 1 1.813 0.005 . 2 . . . . 146 GLU HB2 . 16240 1 1569 . 1 1 146 146 GLU HB3 H 1 1.960 0.005 . 2 . . . . 146 GLU HB3 . 16240 1 1570 . 1 1 146 146 GLU HG2 H 1 2.375 0.004 . 2 . . . . 146 GLU HG2 . 16240 1 1571 . 1 1 146 146 GLU C C 13 179.173 0.005 . 1 . . . . 146 GLU C . 16240 1 1572 . 1 1 146 146 GLU CA C 13 59.263 0.005 . 1 . . . . 146 GLU CA . 16240 1 1573 . 1 1 146 146 GLU CB C 13 29.577 0.005 . 1 . . . . 146 GLU CB . 16240 1 1574 . 1 1 146 146 GLU CG C 13 38.014 0.005 . 1 . . . . 146 GLU CG . 16240 1 1575 . 1 1 146 146 GLU N N 15 120.596 0.005 . 1 . . . . 146 GLU N . 16240 1 1576 . 1 1 147 147 LEU H H 1 7.936 0.005 . 1 . . . . 147 LEU HN . 16240 1 1577 . 1 1 147 147 LEU HA H 1 3.741 0.004 . 1 . . . . 147 LEU HA . 16240 1 1578 . 1 1 147 147 LEU HB2 H 1 1.378 0.005 . 2 . . . . 147 LEU HB2 . 16240 1 1579 . 1 1 147 147 LEU HB3 H 1 1.713 0.002 . 2 . . . . 147 LEU HB3 . 16240 1 1580 . 1 1 147 147 LEU HD11 H 1 0.829 0.005 . 2 . . . . 147 LEU HD11 . 16240 1 1581 . 1 1 147 147 LEU HD12 H 1 0.829 0.005 . 2 . . . . 147 LEU HD11 . 16240 1 1582 . 1 1 147 147 LEU HD13 H 1 0.829 0.005 . 2 . . . . 147 LEU HD11 . 16240 1 1583 . 1 1 147 147 LEU HD21 H 1 0.725 0.003 . 2 . . . . 147 LEU HD21 . 16240 1 1584 . 1 1 147 147 LEU HD22 H 1 0.725 0.003 . 2 . . . . 147 LEU HD21 . 16240 1 1585 . 1 1 147 147 LEU HD23 H 1 0.725 0.003 . 2 . . . . 147 LEU HD21 . 16240 1 1586 . 1 1 147 147 LEU HG H 1 1.606 0.002 . 1 . . . . 147 LEU HG . 16240 1 1587 . 1 1 147 147 LEU C C 13 179.408 0.005 . 1 . . . . 147 LEU C . 16240 1 1588 . 1 1 147 147 LEU CA C 13 57.388 0.005 . 1 . . . . 147 LEU CA . 16240 1 1589 . 1 1 147 147 LEU CB C 13 41.139 0.005 . 1 . . . . 147 LEU CB . 16240 1 1590 . 1 1 147 147 LEU CD1 C 13 25.515 0.005 . 2 . . . . 147 LEU CD1 . 16240 1 1591 . 1 1 147 147 LEU CD2 C 13 22.703 0.005 . 2 . . . . 147 LEU CD2 . 16240 1 1592 . 1 1 147 147 LEU CG C 13 26.452 0.005 . 1 . . . . 147 LEU CG . 16240 1 1593 . 1 1 147 147 LEU N N 15 116.828 0.005 . 1 . . . . 147 LEU N . 16240 1 1594 . 1 1 148 148 ALA H H 1 7.902 0.005 . 1 . . . . 148 ALA HN . 16240 1 1595 . 1 1 148 148 ALA HA H 1 4.030 0.005 . 1 . . . . 148 ALA HA . 16240 1 1596 . 1 1 148 148 ALA HB1 H 1 1.300 0.002 . 1 . . . . 148 ALA HB1 . 16240 1 1597 . 1 1 148 148 ALA HB2 H 1 1.300 0.002 . 1 . . . . 148 ALA HB1 . 16240 1 1598 . 1 1 148 148 ALA HB3 H 1 1.300 0.002 . 1 . . . . 148 ALA HB1 . 16240 1 1599 . 1 1 148 148 ALA C C 13 179.791 0.005 . 1 . . . . 148 ALA C . 16240 1 1600 . 1 1 148 148 ALA CA C 13 54.888 0.005 . 1 . . . . 148 ALA CA . 16240 1 1601 . 1 1 148 148 ALA CB C 13 18.015 0.005 . 1 . . . . 148 ALA CB . 16240 1 1602 . 1 1 148 148 ALA N N 15 121.109 0.005 . 1 . . . . 148 ALA N . 16240 1 1603 . 1 1 149 149 HIS H H 1 7.815 0.005 . 1 . . . . 149 HIS HN . 16240 1 1604 . 1 1 149 149 HIS HA H 1 4.568 0.001 . 1 . . . . 149 HIS HA . 16240 1 1605 . 1 1 149 149 HIS HB2 H 1 2.858 0.005 . 2 . . . . 149 HIS HB2 . 16240 1 1606 . 1 1 149 149 HIS HB3 H 1 2.920 0.005 . 2 . . . . 149 HIS HB3 . 16240 1 1607 . 1 1 149 149 HIS HD2 H 1 7.105 0.005 . 1 . . . . 149 HIS HD2 . 16240 1 1608 . 1 1 149 149 HIS HE1 H 1 8.083 0.005 . 1 . . . . 149 HIS HE1 . 16240 1 1609 . 1 1 149 149 HIS C C 13 176.135 0.005 . 1 . . . . 149 HIS C . 16240 1 1610 . 1 1 149 149 HIS CA C 13 55.826 0.005 . 1 . . . . 149 HIS CA . 16240 1 1611 . 1 1 149 149 HIS CB C 13 30.515 0.005 . 1 . . . . 149 HIS CB . 16240 1 1612 . 1 1 149 149 HIS CD2 C 13 119.502 0.005 . 1 . . . . 149 HIS CD2 . 16240 1 1613 . 1 1 149 149 HIS CE1 C 13 137.133 0.005 . 1 . . . . 149 HIS CE1 . 16240 1 1614 . 1 1 149 149 HIS N N 15 113.660 0.005 . 1 . . . . 149 HIS N . 16240 1 1615 . 1 1 150 150 GLY H H 1 8.176 0.005 . 1 . . . . 150 GLY HN . 16240 1 1616 . 1 1 150 150 GLY HA2 H 1 3.313 0.005 . 2 . . . . 150 GLY HA2 . 16240 1 1617 . 1 1 150 150 GLY HA3 H 1 3.997 0.005 . 2 . . . . 150 GLY HA3 . 16240 1 1618 . 1 1 150 150 GLY C C 13 173.378 0.005 . 1 . . . . 150 GLY C . 16240 1 1619 . 1 1 150 150 GLY CA C 13 46.139 0.005 . 1 . . . . 150 GLY CA . 16240 1 1620 . 1 1 150 150 GLY N N 15 109.037 0.005 . 1 . . . . 150 GLY N . 16240 1 1621 . 1 1 151 151 HIS H H 1 7.630 0.005 . 1 . . . . 151 HIS HN . 16240 1 1622 . 1 1 151 151 HIS HA H 1 4.651 0.007 . 1 . . . . 151 HIS HA . 16240 1 1623 . 1 1 151 151 HIS HB2 H 1 3.040 0.005 . 2 . . . . 151 HIS HB2 . 16240 1 1624 . 1 1 151 151 HIS HB3 H 1 3.232 0.001 . 2 . . . . 151 HIS HB3 . 16240 1 1625 . 1 1 151 151 HIS HD2 H 1 6.896 0.005 . 1 . . . . 151 HIS HD2 . 16240 1 1626 . 1 1 151 151 HIS HE1 H 1 8.009 0.005 . 1 . . . . 151 HIS HE1 . 16240 1 1627 . 1 1 151 151 HIS C C 13 173.225 0.005 . 1 . . . . 151 HIS C . 16240 1 1628 . 1 1 151 151 HIS CA C 13 54.576 0.005 . 1 . . . . 151 HIS CA . 16240 1 1629 . 1 1 151 151 HIS CB C 13 31.765 0.005 . 1 . . . . 151 HIS CB . 16240 1 1630 . 1 1 151 151 HIS CD2 C 13 121.832 0.005 . 1 . . . . 151 HIS CD2 . 16240 1 1631 . 1 1 151 151 HIS CE1 C 13 137.466 0.005 . 1 . . . . 151 HIS CE1 . 16240 1 1632 . 1 1 151 151 HIS N N 15 114.174 0.005 . 1 . . . . 151 HIS N . 16240 1 1633 . 1 1 152 152 VAL H H 1 8.054 0.005 . 1 . . . . 152 VAL HN . 16240 1 1634 . 1 1 152 152 VAL HA H 1 4.032 0.005 . 1 . . . . 152 VAL HA . 16240 1 1635 . 1 1 152 152 VAL HB H 1 1.948 0.002 . 1 . . . . 152 VAL HB . 16240 1 1636 . 1 1 152 152 VAL HG11 H 1 0.758 0.005 . 2 . . . . 152 VAL HG11 . 16240 1 1637 . 1 1 152 152 VAL HG12 H 1 0.758 0.005 . 2 . . . . 152 VAL HG11 . 16240 1 1638 . 1 1 152 152 VAL HG13 H 1 0.758 0.005 . 2 . . . . 152 VAL HG11 . 16240 1 1639 . 1 1 152 152 VAL C C 13 175.898 0.005 . 1 . . . . 152 VAL C . 16240 1 1640 . 1 1 152 152 VAL CA C 13 62.075 0.005 . 1 . . . . 152 VAL CA . 16240 1 1641 . 1 1 152 152 VAL CB C 13 32.702 0.005 . 1 . . . . 152 VAL CB . 16240 1 1642 . 1 1 152 152 VAL CG1 C 13 21.765 0.005 . 2 . . . . 152 VAL CG1 . 16240 1 1643 . 1 1 152 152 VAL N N 15 118.284 0.005 . 1 . . . . 152 VAL N . 16240 1 1644 . 1 1 153 153 HIS H H 1 9.897 0.005 . 1 . . . . 153 HIS HN . 16240 1 1645 . 1 1 153 153 HIS HA H 1 4.733 0.005 . 1 . . . . 153 HIS HA . 16240 1 1646 . 1 1 153 153 HIS HB2 H 1 3.116 0.005 . 2 . . . . 153 HIS HB2 . 16240 1 1647 . 1 1 153 153 HIS C C 13 175.713 0.005 . 1 . . . . 153 HIS C . 16240 1 1648 . 1 1 153 153 HIS CA C 13 59.587 0.005 . 1 . . . . 153 HIS CA . 16240 1 1649 . 1 1 153 153 HIS CB C 13 30.515 0.005 . 1 . . . . 153 HIS CB . 16240 1 1650 . 1 1 153 153 HIS N N 15 126.761 0.005 . 1 . . . . 153 HIS N . 16240 1 1651 . 1 1 154 154 GLY H H 1 8.516 0.005 . 1 . . . . 154 GLY HN . 16240 1 1652 . 1 1 154 154 GLY HA2 H 1 3.885 0.002 . 2 . . . . 154 GLY HA2 . 16240 1 1653 . 1 1 154 154 GLY C C 13 173.885 0.005 . 1 . . . . 154 GLY C . 16240 1 1654 . 1 1 154 154 GLY CA C 13 45.201 0.005 . 1 . . . . 154 GLY CA . 16240 1 1655 . 1 1 154 154 GLY N N 15 111.605 0.005 . 1 . . . . 154 GLY N . 16240 1 1656 . 1 1 155 155 ALA H H 1 8.191 0.005 . 1 . . . . 155 ALA HN . 16240 1 1657 . 1 1 155 155 ALA HA H 1 4.181 0.005 . 1 . . . . 155 ALA HA . 16240 1 1658 . 1 1 155 155 ALA HB1 H 1 1.259 0.001 . 1 . . . . 155 ALA HB1 . 16240 1 1659 . 1 1 155 155 ALA HB2 H 1 1.259 0.001 . 1 . . . . 155 ALA HB1 . 16240 1 1660 . 1 1 155 155 ALA HB3 H 1 1.259 0.001 . 1 . . . . 155 ALA HB1 . 16240 1 1661 . 1 1 155 155 ALA C C 13 177.711 0.005 . 1 . . . . 155 ALA C . 16240 1 1662 . 1 1 155 155 ALA CA C 13 52.701 0.005 . 1 . . . . 155 ALA CA . 16240 1 1663 . 1 1 155 155 ALA CB C 13 19.265 0.005 . 1 . . . . 155 ALA CB . 16240 1 1664 . 1 1 155 155 ALA N N 15 123.678 0.005 . 1 . . . . 155 ALA N . 16240 1 1665 . 1 1 156 156 HIS H H 1 8.323 0.005 . 1 . . . . 156 HIS HN . 16240 1 1666 . 1 1 156 156 HIS HA H 1 4.540 0.005 . 1 . . . . 156 HIS HA . 16240 1 1667 . 1 1 156 156 HIS HB2 H 1 3.089 0.005 . 2 . . . . 156 HIS HB2 . 16240 1 1668 . 1 1 156 156 HIS HB3 H 1 2.980 0.005 . 2 . . . . 156 HIS HB3 . 16240 1 1669 . 1 1 156 156 HIS HD2 H 1 6.977 0.005 . 1 . . . . 156 HIS HD2 . 16240 1 1670 . 1 1 156 156 HIS HE1 H 1 8.052 0.005 . 1 . . . . 156 HIS HE1 . 16240 1 1671 . 1 1 156 156 HIS C C 13 174.876 0.005 . 1 . . . . 156 HIS C . 16240 1 1672 . 1 1 156 156 HIS CA C 13 55.784 0.005 . 1 . . . . 156 HIS CA . 16240 1 1673 . 1 1 156 156 HIS CB C 13 29.974 0.005 . 1 . . . . 156 HIS CB . 16240 1 1674 . 1 1 156 156 HIS CD2 C 13 119.002 0.005 . 1 . . . . 156 HIS CD2 . 16240 1 1675 . 1 1 156 156 HIS CE1 C 13 137.466 0.005 . 1 . . . . 156 HIS CE1 . 16240 1 1676 . 1 1 156 156 HIS N N 15 117.513 0.005 . 1 . . . . 156 HIS N . 16240 1 1677 . 1 1 157 157 ASP N N 15 121.109 0.005 . 1 . . . . 157 ASP N . 16240 1 stop_ save_