data_25125 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25125 _Entry.Title ; Solution Structure and Chemical Shift Assignments for the Apo form of the Receiver Domain of Nitrogen Regulatory Protein C ( NTRC ) at 35C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-08-04 _Entry.Accession_date 2014-08-04 _Entry.Last_release_date 2015-06-29 _Entry.Original_release_date 2015-06-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 25 STRUCTURES' _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 Michael Clarkson . W. . 25125 2 Francesco Pontiggia . . . 25125 3 Janice Villali . . . 25125 4 Dorothee Kern . . . 25125 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' . 25125 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 25125 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25125 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 542 25125 '15N chemical shifts' 124 25125 '1H chemical shifts' 891 25125 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-06-29 . original BMRB . 25125 stop_ save_ ############### # Citations # ############### save_paper1 _Citation.Sf_category citations _Citation.Sf_framecode paper1 _Citation.Entry_ID 25125 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26073309 _Citation.Full_citation . _Citation.Title ; Free energy landscape of activation in a signalling protein at atomic resolution ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 7284 _Citation.Page_last 7284 _Citation.Year 2015 _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 Francesco Pontiggia . . . 25125 1 2 Dimitar Pachov . V. . 25125 1 3 Michael Clarkson . W. . 25125 1 4 Janice Villali . . . 25125 1 5 Michael Hagan . F. . 25125 1 6 Vijay Pande . V. . 25125 1 7 Dorothee Kern . . . 25125 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25125 _Assembly.ID 1 _Assembly.Name 'Apo form of the Receiver Domain of Nitrogen Regulatory Protein C ( NTRC ) at 35C' _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 entity 1 $entity A . yes native no no . . . 25125 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25125 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Receiver_Domain_of_NtrC _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 ; MQRGIVWVVDDDSSIRWVLE RALAGAGLTCTTFENGNEVL AALASKTPDVLLSDIRMPGM DGLALLKQIKQRHPMLPVII MTAHSDLDAAVSAYQQGAFD YLPKPFDIDEAVALVERAIS HYQE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 124 _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 13636.716 _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 25124 . Receiver_Domain_of_NtrC . . . . . 100.00 124 100.00 100.00 1.93e-84 . . . . 25125 1 2 no BMRB 4527 . "Nitrogen regulatory protein C N-terminal receiver domain" . . . . . 100.00 124 100.00 100.00 1.93e-84 . . . . 25125 1 3 no BMRB 4528 . "NITROGEN REGULATION PROTEIN" . . . . . 100.00 124 100.00 100.00 1.93e-84 . . . . 25125 1 4 no PDB 1DC7 . 'Structure Of A Transiently Phosphorylated "switch" In Bacterial Signal Transduction' . . . . . 99.19 124 100.00 100.00 1.46e-83 . . . . 25125 1 5 no PDB 1DC8 . 'Structure Of A Transiently Phosphorylated "switch" In Bacterial Signal Transduction' . . . . . 99.19 124 99.19 99.19 1.38e-82 . . . . 25125 1 6 no PDB 1J56 . "Minimized Average Structure Of Beryllofluoride-Activated Ntrc Receiver Domain: Model Structure Incorporating Active Site Contac" . . . . . 100.00 124 100.00 100.00 1.93e-84 . . . . 25125 1 7 no PDB 1KRW . "Solution Structure And Backbone Dynamics Of Beryllofluoride- Activated Ntrc Receiver Domain" . . . . . 99.19 124 100.00 100.00 1.44e-83 . . . . 25125 1 8 no PDB 1KRX . "Solution Structure Of Beryllofluoride-Activated Ntrc Receiver Domain: Model Structures Incorporating Active Site Contacts" . . . . . 100.00 124 100.00 100.00 1.93e-84 . . . . 25125 1 9 no PDB 1NTR . "Solution Structure Of The N-Terminal Receiver Domain Of Ntrc" . . . . . 100.00 124 100.00 100.00 1.93e-84 . . . . 25125 1 10 no PDB 2MSK . "Solution Structure And Chemical Shift Assignments For Bef3 Activated Receiver Domain Of Nitrogen Regulatory Protein C (ntrc) At" . . . . . 100.00 124 100.00 100.00 1.93e-84 . . . . 25125 1 11 no PDB 2MSL . "Solution Structure And Chemical Shift Assignments For The Apo Form Of The Receiver Domain Of Nitrogen Regulatory Protein C (ntr" . . . . . 100.00 124 100.00 100.00 1.93e-84 . . . . 25125 1 12 no DBJ BAB38213 . "response regulator for gln GlnG [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 469 98.39 98.39 1.30e-78 . . . . 25125 1 13 no DBJ BAE77441 . "fused DNA-binding response regulator in two-component regulatory system with GlnL, nitrogen regulator I (NRI) [Escherichia coli" . . . . . 100.00 469 98.39 98.39 1.30e-78 . . . . 25125 1 14 no DBJ BAG79675 . "two-component regulator protein [Escherichia coli SE11]" . . . . . 100.00 469 98.39 98.39 1.42e-78 . . . . 25125 1 15 no DBJ BAI27885 . "fused DNA-binding response regulator GlnG in two-component regulatory system with GlnL: response regulator/sigma 54 interaction" . . . . . 100.00 469 98.39 98.39 1.30e-78 . . . . 25125 1 16 no DBJ BAI33008 . "fused DNA-binding response regulator GlnG in two-component regulatory system with GlnL: response regulator/sigma 54 interaction" . . . . . 100.00 469 98.39 98.39 1.42e-78 . . . . 25125 1 17 no EMBL CAA28808 . "unnamed protein product [Escherichia coli K-12]" . . . . . 100.00 468 98.39 98.39 1.18e-78 . . . . 25125 1 18 no EMBL CAA59425 . "nitrogen regulatory protein C [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 469 100.00 100.00 2.76e-80 . . . . 25125 1 19 no EMBL CAD03095 . "Two-component system, response regulator [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 469 99.19 99.19 2.31e-79 . . . . 25125 1 20 no EMBL CAP78325 . "Nitrogen regulation protein NR(I) [Escherichia coli LF82]" . . . . . 100.00 469 98.39 98.39 1.72e-78 . . . . 25125 1 21 no EMBL CAQ34219 . "NtrC transcriptional dual regulator, subunit of NtrC-Phosphorylated transcriptional dual regulator [Escherichia coli BL21(DE3)]" . . . . . 100.00 469 98.39 98.39 1.42e-78 . . . . 25125 1 22 no GB AAB03002 . "CG Site No. 702 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 469 98.39 98.39 1.30e-78 . . . . 25125 1 23 no GB AAC76865 . "fused DNA-binding response regulator in two-component regulatory system with GlnL: response regulator/sigma54 interaction prote" . . . . . 100.00 469 98.39 98.39 1.30e-78 . . . . 25125 1 24 no GB AAG59057 . "response regulator for gln (sensor glnL) (nitrogen regulator I, NRI) [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 469 98.39 98.39 9.96e-79 . . . . 25125 1 25 no GB AAL22844 . "EBP family response regulator in two-component regulatory system with GlnL [Salmonella enterica subsp. enterica serovar Typhimu" . . . . . 100.00 469 100.00 100.00 2.56e-80 . . . . 25125 1 26 no GB AAN45373 . "sensor glnL response regulator (nitrogen regulator I, NRI) [Shigella flexneri 2a str. 301]" . . . . . 100.00 469 98.39 98.39 1.40e-78 . . . . 25125 1 27 no PIR AC0950 . "Two-component system, response regulator STY3876 [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 469 99.19 99.19 2.31e-79 . . . . 25125 1 28 no PIR E86074 . "hypothetical protein glnG [imported] - Escherichia coli (strain O157:H7, substrain EDL933)" . . . . . 100.00 469 98.39 98.39 9.96e-79 . . . . 25125 1 29 no REF NP_312817 . "nitrogen regulation protein NR(I) [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 469 98.39 98.39 1.30e-78 . . . . 25125 1 30 no REF NP_418304 . "fused DNA-binding response regulator in two-component regulatory system with GlnL: response regulator/sigma54 interaction prote" . . . . . 100.00 469 98.39 98.39 1.30e-78 . . . . 25125 1 31 no REF NP_458044 . "two-component system response regulator [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 469 99.19 99.19 2.31e-79 . . . . 25125 1 32 no REF NP_462885 . "nitrogen regulation protein NR(I) [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 469 100.00 100.00 2.56e-80 . . . . 25125 1 33 no REF NP_709666 . "nitrogen regulation protein NR(I) [Shigella flexneri 2a str. 301]" . . . . . 100.00 469 98.39 98.39 1.40e-78 . . . . 25125 1 34 no SP P0AFB8 . "RecName: Full=Nitrogen regulation protein NR(I)" . . . . . 100.00 469 98.39 98.39 1.30e-78 . . . . 25125 1 35 no SP P0AFB9 . "RecName: Full=Nitrogen regulation protein NR(I)" . . . . . 100.00 469 98.39 98.39 1.30e-78 . . . . 25125 1 36 no SP P41789 . "RecName: Full=Nitrogen regulation protein NR(I)" . . . . . 100.00 469 100.00 100.00 2.56e-80 . . . . 25125 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 . 25125 1 2 . GLN . 25125 1 3 . ARG . 25125 1 4 . GLY . 25125 1 5 . ILE . 25125 1 6 . VAL . 25125 1 7 . TRP . 25125 1 8 . VAL . 25125 1 9 . VAL . 25125 1 10 . ASP . 25125 1 11 . ASP . 25125 1 12 . ASP . 25125 1 13 . SER . 25125 1 14 . SER . 25125 1 15 . ILE . 25125 1 16 . ARG . 25125 1 17 . TRP . 25125 1 18 . VAL . 25125 1 19 . LEU . 25125 1 20 . GLU . 25125 1 21 . ARG . 25125 1 22 . ALA . 25125 1 23 . LEU . 25125 1 24 . ALA . 25125 1 25 . GLY . 25125 1 26 . ALA . 25125 1 27 . GLY . 25125 1 28 . LEU . 25125 1 29 . THR . 25125 1 30 . CYS . 25125 1 31 . THR . 25125 1 32 . THR . 25125 1 33 . PHE . 25125 1 34 . GLU . 25125 1 35 . ASN . 25125 1 36 . GLY . 25125 1 37 . ASN . 25125 1 38 . GLU . 25125 1 39 . VAL . 25125 1 40 . LEU . 25125 1 41 . ALA . 25125 1 42 . ALA . 25125 1 43 . LEU . 25125 1 44 . ALA . 25125 1 45 . SER . 25125 1 46 . LYS . 25125 1 47 . THR . 25125 1 48 . PRO . 25125 1 49 . ASP . 25125 1 50 . VAL . 25125 1 51 . LEU . 25125 1 52 . LEU . 25125 1 53 . SER . 25125 1 54 . ASP . 25125 1 55 . ILE . 25125 1 56 . ARG . 25125 1 57 . MET . 25125 1 58 . PRO . 25125 1 59 . GLY . 25125 1 60 . MET . 25125 1 61 . ASP . 25125 1 62 . GLY . 25125 1 63 . LEU . 25125 1 64 . ALA . 25125 1 65 . LEU . 25125 1 66 . LEU . 25125 1 67 . LYS . 25125 1 68 . GLN . 25125 1 69 . ILE . 25125 1 70 . LYS . 25125 1 71 . GLN . 25125 1 72 . ARG . 25125 1 73 . HIS . 25125 1 74 . PRO . 25125 1 75 . MET . 25125 1 76 . LEU . 25125 1 77 . PRO . 25125 1 78 . VAL . 25125 1 79 . ILE . 25125 1 80 . ILE . 25125 1 81 . MET . 25125 1 82 . THR . 25125 1 83 . ALA . 25125 1 84 . HIS . 25125 1 85 . SER . 25125 1 86 . ASP . 25125 1 87 . LEU . 25125 1 88 . ASP . 25125 1 89 . ALA . 25125 1 90 . ALA . 25125 1 91 . VAL . 25125 1 92 . SER . 25125 1 93 . ALA . 25125 1 94 . TYR . 25125 1 95 . GLN . 25125 1 96 . GLN . 25125 1 97 . GLY . 25125 1 98 . ALA . 25125 1 99 . PHE . 25125 1 100 . ASP . 25125 1 101 . TYR . 25125 1 102 . LEU . 25125 1 103 . PRO . 25125 1 104 . LYS . 25125 1 105 . PRO . 25125 1 106 . PHE . 25125 1 107 . ASP . 25125 1 108 . ILE . 25125 1 109 . ASP . 25125 1 110 . GLU . 25125 1 111 . ALA . 25125 1 112 . VAL . 25125 1 113 . ALA . 25125 1 114 . LEU . 25125 1 115 . VAL . 25125 1 116 . GLU . 25125 1 117 . ARG . 25125 1 118 . ALA . 25125 1 119 . ILE . 25125 1 120 . SER . 25125 1 121 . HIS . 25125 1 122 . TYR . 25125 1 123 . GLN . 25125 1 124 . GLU . 25125 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 25125 1 . GLN 2 2 25125 1 . ARG 3 3 25125 1 . GLY 4 4 25125 1 . ILE 5 5 25125 1 . VAL 6 6 25125 1 . TRP 7 7 25125 1 . VAL 8 8 25125 1 . VAL 9 9 25125 1 . ASP 10 10 25125 1 . ASP 11 11 25125 1 . ASP 12 12 25125 1 . SER 13 13 25125 1 . SER 14 14 25125 1 . ILE 15 15 25125 1 . ARG 16 16 25125 1 . TRP 17 17 25125 1 . VAL 18 18 25125 1 . LEU 19 19 25125 1 . GLU 20 20 25125 1 . ARG 21 21 25125 1 . ALA 22 22 25125 1 . LEU 23 23 25125 1 . ALA 24 24 25125 1 . GLY 25 25 25125 1 . ALA 26 26 25125 1 . GLY 27 27 25125 1 . LEU 28 28 25125 1 . THR 29 29 25125 1 . CYS 30 30 25125 1 . THR 31 31 25125 1 . THR 32 32 25125 1 . PHE 33 33 25125 1 . GLU 34 34 25125 1 . ASN 35 35 25125 1 . GLY 36 36 25125 1 . ASN 37 37 25125 1 . GLU 38 38 25125 1 . VAL 39 39 25125 1 . LEU 40 40 25125 1 . ALA 41 41 25125 1 . ALA 42 42 25125 1 . LEU 43 43 25125 1 . ALA 44 44 25125 1 . SER 45 45 25125 1 . LYS 46 46 25125 1 . THR 47 47 25125 1 . PRO 48 48 25125 1 . ASP 49 49 25125 1 . VAL 50 50 25125 1 . LEU 51 51 25125 1 . LEU 52 52 25125 1 . SER 53 53 25125 1 . ASP 54 54 25125 1 . ILE 55 55 25125 1 . ARG 56 56 25125 1 . MET 57 57 25125 1 . PRO 58 58 25125 1 . GLY 59 59 25125 1 . MET 60 60 25125 1 . ASP 61 61 25125 1 . GLY 62 62 25125 1 . LEU 63 63 25125 1 . ALA 64 64 25125 1 . LEU 65 65 25125 1 . LEU 66 66 25125 1 . LYS 67 67 25125 1 . GLN 68 68 25125 1 . ILE 69 69 25125 1 . LYS 70 70 25125 1 . GLN 71 71 25125 1 . ARG 72 72 25125 1 . HIS 73 73 25125 1 . PRO 74 74 25125 1 . MET 75 75 25125 1 . LEU 76 76 25125 1 . PRO 77 77 25125 1 . VAL 78 78 25125 1 . ILE 79 79 25125 1 . ILE 80 80 25125 1 . MET 81 81 25125 1 . THR 82 82 25125 1 . ALA 83 83 25125 1 . HIS 84 84 25125 1 . SER 85 85 25125 1 . ASP 86 86 25125 1 . LEU 87 87 25125 1 . ASP 88 88 25125 1 . ALA 89 89 25125 1 . ALA 90 90 25125 1 . VAL 91 91 25125 1 . SER 92 92 25125 1 . ALA 93 93 25125 1 . TYR 94 94 25125 1 . GLN 95 95 25125 1 . GLN 96 96 25125 1 . GLY 97 97 25125 1 . ALA 98 98 25125 1 . PHE 99 99 25125 1 . ASP 100 100 25125 1 . TYR 101 101 25125 1 . LEU 102 102 25125 1 . PRO 103 103 25125 1 . LYS 104 104 25125 1 . PRO 105 105 25125 1 . PHE 106 106 25125 1 . ASP 107 107 25125 1 . ILE 108 108 25125 1 . ASP 109 109 25125 1 . GLU 110 110 25125 1 . ALA 111 111 25125 1 . VAL 112 112 25125 1 . ALA 113 113 25125 1 . LEU 114 114 25125 1 . VAL 115 115 25125 1 . GLU 116 116 25125 1 . ARG 117 117 25125 1 . ALA 118 118 25125 1 . ILE 119 119 25125 1 . SER 120 120 25125 1 . HIS 121 121 25125 1 . TYR 122 122 25125 1 . GLN 123 123 25125 1 . GLU 124 124 25125 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 25125 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 90371 organism . 'Salmonella typhimurium' enterobacteria . . Bacteria . Salmonella typhimurium . . . . . . . . . . . 'glnG ntrC STM4005' . 25125 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 25125 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-7 . . . 25125 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25125 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Receiver Domain of NtrC' '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 25125 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25125 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25125 1 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 25125 1 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 25125 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 25125 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 25125 1 pH 6.75 . pH 25125 1 pressure 1 . atm 25125 1 temperature 273 . K 25125 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25125 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25125 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25125 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25125 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Professor Kurt W thrich' . . 25125 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25125 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25125 _Software.ID 3 _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' . . 25125 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25125 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25125 _Software.ID 4 _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' . . 25125 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25125 4 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 25125 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25125 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25125 _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 Agilent INOVA . 600 . . . 25125 1 2 spectrometer_2 Bruker Avance . 800 . . . 25125 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 25125 _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 . . . . . . . . . . . . . . . . 25125 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25125 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25125 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25125 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25125 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25125 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25125 1 8 '3D HCCH3-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25125 1 9 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25125 1 10 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25125 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25125 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25125 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25125 1 14 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25125 1 15 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25125 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 25125 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25125 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25125 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25125 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 25125 _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' . . . 25125 1 2 '3D HNCO' . . . 25125 1 3 '3D HNCACB' . . . 25125 1 4 '3D CBCA(CO)NH' . . . 25125 1 5 '3D H(CCO)NH' . . . 25125 1 6 '3D C(CO)NH' . . . 25125 1 7 '3D HCCH-TOCSY' . . . 25125 1 8 '3D HCCH3-TOCSY' . . . 25125 1 9 '2D (HB)CB(CGCD)HD' . . . 25125 1 10 '2D (HB)CB(CGCDCE)HE' . . . 25125 1 11 '3D 1H-15N NOESY' . . . 25125 1 12 '3D 1H-13C NOESY aliphatic' . . . 25125 1 13 '3D 1H-13C NOESY aromatic' . . . 25125 1 14 '2D 1H-13C HSQC aliphatic' . . . 25125 1 15 '2D 1H-13C HSQC aromatic' . . . 25125 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 3.963 0.020 . 1 . . . A 1 MET HA . 25125 1 2 . 1 1 1 1 MET HB2 H 1 2.054 0.020 . 1 . . . A 1 MET HB2 . 25125 1 3 . 1 1 1 1 MET HB3 H 1 2.054 0.020 . 1 . . . A 1 MET HB3 . 25125 1 4 . 1 1 1 1 MET HG2 H 1 2.539 0.020 . 1 . . . A 1 MET HG2 . 25125 1 5 . 1 1 1 1 MET HG3 H 1 2.539 0.020 . 1 . . . A 1 MET HG3 . 25125 1 6 . 1 1 1 1 MET HE1 H 1 2.056 0.020 . 1 . . . A 1 MET HE1 . 25125 1 7 . 1 1 1 1 MET HE2 H 1 2.056 0.020 . 1 . . . A 1 MET HE2 . 25125 1 8 . 1 1 1 1 MET HE3 H 1 2.056 0.020 . 1 . . . A 1 MET HE3 . 25125 1 9 . 1 1 1 1 MET CA C 13 55.277 0.3 . 1 . . . A 1 MET CA . 25125 1 10 . 1 1 1 1 MET CB C 13 33.562 0.3 . 1 . . . A 1 MET CB . 25125 1 11 . 1 1 1 1 MET CG C 13 30.967 0.3 . 1 . . . A 1 MET CG . 25125 1 12 . 1 1 1 1 MET CE C 13 16.769 0.3 . 1 . . . A 1 MET CE . 25125 1 13 . 1 1 2 2 GLN HA H 1 4.433 0.020 . 1 . . . A 2 GLN HA . 25125 1 14 . 1 1 2 2 GLN HB2 H 1 2.054 0.020 . 2 . . . A 2 GLN HB2 . 25125 1 15 . 1 1 2 2 GLN HB3 H 1 1.945 0.020 . 2 . . . A 2 GLN HB3 . 25125 1 16 . 1 1 2 2 GLN HG2 H 1 2.289 0.020 . 1 . . . A 2 GLN HG2 . 25125 1 17 . 1 1 2 2 GLN HG3 H 1 2.289 0.020 . 1 . . . A 2 GLN HG3 . 25125 1 18 . 1 1 2 2 GLN HE21 H 1 7.495 0.020 . 1 . . . A 2 GLN HE21 . 25125 1 19 . 1 1 2 2 GLN HE22 H 1 6.761 0.020 . 1 . . . A 2 GLN HE22 . 25125 1 20 . 1 1 2 2 GLN CA C 13 55.564 0.3 . 1 . . . A 2 GLN CA . 25125 1 21 . 1 1 2 2 GLN CB C 13 29.600 0.3 . 1 . . . A 2 GLN CB . 25125 1 22 . 1 1 2 2 GLN CG C 13 33.800 0.3 . 1 . . . A 2 GLN CG . 25125 1 23 . 1 1 2 2 GLN NE2 N 15 112.230 0.3 . 1 . . . A 2 GLN NE2 . 25125 1 24 . 1 1 3 3 ARG H H 1 8.429 0.020 . 1 . . . A 3 ARG H . 25125 1 25 . 1 1 3 3 ARG HA H 1 4.365 0.020 . 1 . . . A 3 ARG HA . 25125 1 26 . 1 1 3 3 ARG HB2 H 1 1.785 0.020 . 2 . . . A 3 ARG HB2 . 25125 1 27 . 1 1 3 3 ARG HB3 H 1 1.686 0.020 . 2 . . . A 3 ARG HB3 . 25125 1 28 . 1 1 3 3 ARG HG2 H 1 1.622 0.020 . 2 . . . A 3 ARG HG2 . 25125 1 29 . 1 1 3 3 ARG HG3 H 1 1.549 0.020 . 2 . . . A 3 ARG HG3 . 25125 1 30 . 1 1 3 3 ARG HD2 H 1 3.119 0.020 . 1 . . . A 3 ARG HD2 . 25125 1 31 . 1 1 3 3 ARG HD3 H 1 3.119 0.020 . 1 . . . A 3 ARG HD3 . 25125 1 32 . 1 1 3 3 ARG C C 13 175.634 0.3 . 1 . . . A 3 ARG C . 25125 1 33 . 1 1 3 3 ARG CA C 13 55.991 0.3 . 1 . . . A 3 ARG CA . 25125 1 34 . 1 1 3 3 ARG CB C 13 31.297 0.3 . 1 . . . A 3 ARG CB . 25125 1 35 . 1 1 3 3 ARG CG C 13 27.259 0.3 . 1 . . . A 3 ARG CG . 25125 1 36 . 1 1 3 3 ARG CD C 13 43.130 0.3 . 1 . . . A 3 ARG CD . 25125 1 37 . 1 1 3 3 ARG N N 15 121.252 0.3 . 1 . . . A 3 ARG N . 25125 1 38 . 1 1 4 4 GLY H H 1 7.963 0.020 . 1 . . . A 4 GLY H . 25125 1 39 . 1 1 4 4 GLY HA2 H 1 3.956 0.020 . 2 . . . A 4 GLY HA2 . 25125 1 40 . 1 1 4 4 GLY HA3 H 1 3.836 0.020 . 2 . . . A 4 GLY HA3 . 25125 1 41 . 1 1 4 4 GLY C C 13 171.041 0.3 . 1 . . . A 4 GLY C . 25125 1 42 . 1 1 4 4 GLY CA C 13 45.316 0.3 . 1 . . . A 4 GLY CA . 25125 1 43 . 1 1 4 4 GLY N N 15 107.663 0.3 . 1 . . . A 4 GLY N . 25125 1 44 . 1 1 5 5 ILE H H 1 9.610 0.020 . 1 . . . A 5 ILE H . 25125 1 45 . 1 1 5 5 ILE HA H 1 4.699 0.020 . 1 . . . A 5 ILE HA . 25125 1 46 . 1 1 5 5 ILE HB H 1 1.575 0.020 . 1 . . . A 5 ILE HB . 25125 1 47 . 1 1 5 5 ILE HG12 H 1 1.592 0.020 . 2 . . . A 5 ILE HG12 . 25125 1 48 . 1 1 5 5 ILE HG13 H 1 1.012 0.020 . 2 . . . A 5 ILE HG13 . 25125 1 49 . 1 1 5 5 ILE HG21 H 1 0.882 0.020 . 1 . . . A 5 ILE HG21 . 25125 1 50 . 1 1 5 5 ILE HG22 H 1 0.882 0.020 . 1 . . . A 5 ILE HG22 . 25125 1 51 . 1 1 5 5 ILE HG23 H 1 0.882 0.020 . 1 . . . A 5 ILE HG23 . 25125 1 52 . 1 1 5 5 ILE HD11 H 1 0.880 0.020 . 1 . . . A 5 ILE HD11 . 25125 1 53 . 1 1 5 5 ILE HD12 H 1 0.880 0.020 . 1 . . . A 5 ILE HD12 . 25125 1 54 . 1 1 5 5 ILE HD13 H 1 0.880 0.020 . 1 . . . A 5 ILE HD13 . 25125 1 55 . 1 1 5 5 ILE C C 13 175.359 0.3 . 1 . . . A 5 ILE C . 25125 1 56 . 1 1 5 5 ILE CA C 13 60.610 0.3 . 1 . . . A 5 ILE CA . 25125 1 57 . 1 1 5 5 ILE CB C 13 39.576 0.3 . 1 . . . A 5 ILE CB . 25125 1 58 . 1 1 5 5 ILE CG1 C 13 27.272 0.3 . 1 . . . A 5 ILE CG1 . 25125 1 59 . 1 1 5 5 ILE CG2 C 13 18.291 0.3 . 1 . . . A 5 ILE CG2 . 25125 1 60 . 1 1 5 5 ILE CD1 C 13 13.249 0.3 . 1 . . . A 5 ILE CD1 . 25125 1 61 . 1 1 5 5 ILE N N 15 122.603 0.3 . 1 . . . A 5 ILE N . 25125 1 62 . 1 1 6 6 VAL H H 1 9.090 0.020 . 1 . . . A 6 VAL H . 25125 1 63 . 1 1 6 6 VAL HA H 1 4.812 0.020 . 1 . . . A 6 VAL HA . 25125 1 64 . 1 1 6 6 VAL HB H 1 1.841 0.020 . 1 . . . A 6 VAL HB . 25125 1 65 . 1 1 6 6 VAL HG11 H 1 0.814 0.020 . 2 . . . A 6 VAL HG11 . 25125 1 66 . 1 1 6 6 VAL HG12 H 1 0.814 0.020 . 2 . . . A 6 VAL HG12 . 25125 1 67 . 1 1 6 6 VAL HG13 H 1 0.814 0.020 . 2 . . . A 6 VAL HG13 . 25125 1 68 . 1 1 6 6 VAL HG21 H 1 0.766 0.020 . 2 . . . A 6 VAL HG21 . 25125 1 69 . 1 1 6 6 VAL HG22 H 1 0.766 0.020 . 2 . . . A 6 VAL HG22 . 25125 1 70 . 1 1 6 6 VAL HG23 H 1 0.766 0.020 . 2 . . . A 6 VAL HG23 . 25125 1 71 . 1 1 6 6 VAL C C 13 174.204 0.3 . 1 . . . A 6 VAL C . 25125 1 72 . 1 1 6 6 VAL CA C 13 59.559 0.3 . 1 . . . A 6 VAL CA . 25125 1 73 . 1 1 6 6 VAL CB C 13 34.526 0.3 . 1 . . . A 6 VAL CB . 25125 1 74 . 1 1 6 6 VAL CG1 C 13 21.523 0.3 . 1 . . . A 6 VAL CG1 . 25125 1 75 . 1 1 6 6 VAL CG2 C 13 21.734 0.3 . 1 . . . A 6 VAL CG2 . 25125 1 76 . 1 1 6 6 VAL N N 15 127.905 0.3 . 1 . . . A 6 VAL N . 25125 1 77 . 1 1 7 7 TRP H H 1 8.497 0.020 . 1 . . . A 7 TRP H . 25125 1 78 . 1 1 7 7 TRP HA H 1 6.454 0.020 . 1 . . . A 7 TRP HA . 25125 1 79 . 1 1 7 7 TRP HB2 H 1 3.120 0.020 . 2 . . . A 7 TRP HB2 . 25125 1 80 . 1 1 7 7 TRP HB3 H 1 3.080 0.020 . 2 . . . A 7 TRP HB3 . 25125 1 81 . 1 1 7 7 TRP HD1 H 1 7.170 0.020 . 1 . . . A 7 TRP HD1 . 25125 1 82 . 1 1 7 7 TRP HE1 H 1 10.069 0.020 . 1 . . . A 7 TRP HE1 . 25125 1 83 . 1 1 7 7 TRP HE3 H 1 6.857 0.020 . 1 . . . A 7 TRP HE3 . 25125 1 84 . 1 1 7 7 TRP HZ2 H 1 7.133 0.020 . 1 . . . A 7 TRP HZ2 . 25125 1 85 . 1 1 7 7 TRP HZ3 H 1 6.791 0.020 . 1 . . . A 7 TRP HZ3 . 25125 1 86 . 1 1 7 7 TRP HH2 H 1 6.925 0.020 . 1 . . . A 7 TRP HH2 . 25125 1 87 . 1 1 7 7 TRP C C 13 175.056 0.3 . 1 . . . A 7 TRP C . 25125 1 88 . 1 1 7 7 TRP CA C 13 52.878 0.3 . 1 . . . A 7 TRP CA . 25125 1 89 . 1 1 7 7 TRP CB C 13 33.134 0.3 . 1 . . . A 7 TRP CB . 25125 1 90 . 1 1 7 7 TRP CD1 C 13 123.370 0.3 . 1 . . . A 7 TRP CD1 . 25125 1 91 . 1 1 7 7 TRP CE3 C 13 119.769 0.3 . 1 . . . A 7 TRP CE3 . 25125 1 92 . 1 1 7 7 TRP CZ2 C 13 113.380 0.3 . 1 . . . A 7 TRP CZ2 . 25125 1 93 . 1 1 7 7 TRP CZ3 C 13 121.797 0.3 . 1 . . . A 7 TRP CZ3 . 25125 1 94 . 1 1 7 7 TRP CH2 C 13 125.970 0.3 . 1 . . . A 7 TRP CH2 . 25125 1 95 . 1 1 7 7 TRP N N 15 127.467 0.3 . 1 . . . A 7 TRP N . 25125 1 96 . 1 1 7 7 TRP NE1 N 15 127.200 0.3 . 1 . . . A 7 TRP NE1 . 25125 1 97 . 1 1 8 8 VAL H H 1 8.583 0.020 . 1 . . . A 8 VAL H . 25125 1 98 . 1 1 8 8 VAL HA H 1 5.086 0.020 . 1 . . . A 8 VAL HA . 25125 1 99 . 1 1 8 8 VAL HB H 1 1.791 0.020 . 1 . . . A 8 VAL HB . 25125 1 100 . 1 1 8 8 VAL HG11 H 1 0.837 0.020 . 2 . . . A 8 VAL HG11 . 25125 1 101 . 1 1 8 8 VAL HG12 H 1 0.837 0.020 . 2 . . . A 8 VAL HG12 . 25125 1 102 . 1 1 8 8 VAL HG13 H 1 0.837 0.020 . 2 . . . A 8 VAL HG13 . 25125 1 103 . 1 1 8 8 VAL HG21 H 1 0.836 0.020 . 2 . . . A 8 VAL HG21 . 25125 1 104 . 1 1 8 8 VAL HG22 H 1 0.836 0.020 . 2 . . . A 8 VAL HG22 . 25125 1 105 . 1 1 8 8 VAL HG23 H 1 0.836 0.020 . 2 . . . A 8 VAL HG23 . 25125 1 106 . 1 1 8 8 VAL C C 13 173.874 0.3 . 1 . . . A 8 VAL C . 25125 1 107 . 1 1 8 8 VAL CA C 13 60.486 0.3 . 1 . . . A 8 VAL CA . 25125 1 108 . 1 1 8 8 VAL CB C 13 35.715 0.3 . 1 . . . A 8 VAL CB . 25125 1 109 . 1 1 8 8 VAL CG1 C 13 21.390 0.3 . 1 . . . A 8 VAL CG1 . 25125 1 110 . 1 1 8 8 VAL CG2 C 13 21.720 0.3 . 1 . . . A 8 VAL CG2 . 25125 1 111 . 1 1 8 8 VAL N N 15 122.068 0.3 . 1 . . . A 8 VAL N . 25125 1 112 . 1 1 9 9 VAL H H 1 9.107 0.020 . 1 . . . A 9 VAL H . 25125 1 113 . 1 1 9 9 VAL HA H 1 4.961 0.020 . 1 . . . A 9 VAL HA . 25125 1 114 . 1 1 9 9 VAL HB H 1 2.135 0.020 . 1 . . . A 9 VAL HB . 25125 1 115 . 1 1 9 9 VAL HG11 H 1 0.808 0.020 . 2 . . . A 9 VAL HG11 . 25125 1 116 . 1 1 9 9 VAL HG12 H 1 0.808 0.020 . 2 . . . A 9 VAL HG12 . 25125 1 117 . 1 1 9 9 VAL HG13 H 1 0.808 0.020 . 2 . . . A 9 VAL HG13 . 25125 1 118 . 1 1 9 9 VAL HG21 H 1 0.725 0.020 . 2 . . . A 9 VAL HG21 . 25125 1 119 . 1 1 9 9 VAL HG22 H 1 0.725 0.020 . 2 . . . A 9 VAL HG22 . 25125 1 120 . 1 1 9 9 VAL HG23 H 1 0.725 0.020 . 2 . . . A 9 VAL HG23 . 25125 1 121 . 1 1 9 9 VAL C C 13 173.131 0.3 . 1 . . . A 9 VAL C . 25125 1 122 . 1 1 9 9 VAL CA C 13 59.675 0.3 . 1 . . . A 9 VAL CA . 25125 1 123 . 1 1 9 9 VAL CB C 13 32.911 0.3 . 1 . . . A 9 VAL CB . 25125 1 124 . 1 1 9 9 VAL CG1 C 13 20.027 0.3 . 1 . . . A 9 VAL CG1 . 25125 1 125 . 1 1 9 9 VAL CG2 C 13 21.194 0.3 . 1 . . . A 9 VAL CG2 . 25125 1 126 . 1 1 9 9 VAL N N 15 127.733 0.3 . 1 . . . A 9 VAL N . 25125 1 127 . 1 1 10 10 ASP H H 1 7.775 0.020 . 1 . . . A 10 ASP H . 25125 1 128 . 1 1 10 10 ASP HA H 1 4.569 0.020 . 1 . . . A 10 ASP HA . 25125 1 129 . 1 1 10 10 ASP HB2 H 1 2.477 0.020 . 2 . . . A 10 ASP HB2 . 25125 1 130 . 1 1 10 10 ASP HB3 H 1 2.339 0.020 . 2 . . . A 10 ASP HB3 . 25125 1 131 . 1 1 10 10 ASP C C 13 175.029 0.3 . 1 . . . A 10 ASP C . 25125 1 132 . 1 1 10 10 ASP CA C 13 54.747 0.3 . 1 . . . A 10 ASP CA . 25125 1 133 . 1 1 10 10 ASP CB C 13 44.109 0.3 . 1 . . . A 10 ASP CB . 25125 1 134 . 1 1 10 10 ASP N N 15 124.306 0.3 . 1 . . . A 10 ASP N . 25125 1 135 . 1 1 11 11 ASP H H 1 9.033 0.020 . 1 . . . A 11 ASP H . 25125 1 136 . 1 1 11 11 ASP HA H 1 4.535 0.020 . 1 . . . A 11 ASP HA . 25125 1 137 . 1 1 11 11 ASP HB2 H 1 2.860 0.020 . 2 . . . A 11 ASP HB2 . 25125 1 138 . 1 1 11 11 ASP HB3 H 1 2.644 0.020 . 2 . . . A 11 ASP HB3 . 25125 1 139 . 1 1 11 11 ASP C C 13 175.689 0.3 . 1 . . . A 11 ASP C . 25125 1 140 . 1 1 11 11 ASP CA C 13 55.718 0.3 . 1 . . . A 11 ASP CA . 25125 1 141 . 1 1 11 11 ASP CB C 13 42.074 0.3 . 1 . . . A 11 ASP CB . 25125 1 142 . 1 1 11 11 ASP N N 15 126.714 0.3 . 1 . . . A 11 ASP N . 25125 1 143 . 1 1 12 12 ASP H H 1 9.570 0.020 . 1 . . . A 12 ASP H . 25125 1 144 . 1 1 12 12 ASP HA H 1 4.646 0.020 . 1 . . . A 12 ASP HA . 25125 1 145 . 1 1 12 12 ASP HB2 H 1 3.032 0.020 . 2 . . . A 12 ASP HB2 . 25125 1 146 . 1 1 12 12 ASP HB3 H 1 2.578 0.020 . 2 . . . A 12 ASP HB3 . 25125 1 147 . 1 1 12 12 ASP C C 13 177.036 0.3 . 1 . . . A 12 ASP C . 25125 1 148 . 1 1 12 12 ASP CA C 13 53.303 0.3 . 1 . . . A 12 ASP CA . 25125 1 149 . 1 1 12 12 ASP CB C 13 41.164 0.3 . 1 . . . A 12 ASP CB . 25125 1 150 . 1 1 12 12 ASP N N 15 121.877 0.3 . 1 . . . A 12 ASP N . 25125 1 151 . 1 1 13 13 SER H H 1 8.850 0.020 . 1 . . . A 13 SER H . 25125 1 152 . 1 1 13 13 SER HA H 1 3.761 0.020 . 1 . . . A 13 SER HA . 25125 1 153 . 1 1 13 13 SER HB2 H 1 3.861 0.020 . 2 . . . A 13 SER HB2 . 25125 1 154 . 1 1 13 13 SER HB3 H 1 3.792 0.020 . 2 . . . A 13 SER HB3 . 25125 1 155 . 1 1 13 13 SER C C 13 176.156 0.3 . 1 . . . A 13 SER C . 25125 1 156 . 1 1 13 13 SER CA C 13 61.186 0.3 . 1 . . . A 13 SER CA . 25125 1 157 . 1 1 13 13 SER CB C 13 62.749 0.3 . 1 . . . A 13 SER CB . 25125 1 158 . 1 1 13 13 SER N N 15 123.799 0.3 . 1 . . . A 13 SER N . 25125 1 159 . 1 1 14 14 SER H H 1 8.531 0.020 . 1 . . . A 14 SER H . 25125 1 160 . 1 1 14 14 SER HA H 1 4.361 0.020 . 1 . . . A 14 SER HA . 25125 1 161 . 1 1 14 14 SER HB2 H 1 3.998 0.020 . 2 . . . A 14 SER HB2 . 25125 1 162 . 1 1 14 14 SER HB3 H 1 3.954 0.020 . 2 . . . A 14 SER HB3 . 25125 1 163 . 1 1 14 14 SER C C 13 176.404 0.3 . 1 . . . A 14 SER C . 25125 1 164 . 1 1 14 14 SER CA C 13 61.730 0.3 . 1 . . . A 14 SER CA . 25125 1 165 . 1 1 14 14 SER CB C 13 62.548 0.3 . 1 . . . A 14 SER CB . 25125 1 166 . 1 1 14 14 SER N N 15 119.123 0.3 . 1 . . . A 14 SER N . 25125 1 167 . 1 1 15 15 ILE H H 1 7.206 0.020 . 1 . . . A 15 ILE H . 25125 1 168 . 1 1 15 15 ILE HA H 1 3.945 0.020 . 1 . . . A 15 ILE HA . 25125 1 169 . 1 1 15 15 ILE HB H 1 2.187 0.020 . 1 . . . A 15 ILE HB . 25125 1 170 . 1 1 15 15 ILE HG12 H 1 1.448 0.020 . 2 . . . A 15 ILE HG12 . 25125 1 171 . 1 1 15 15 ILE HG13 H 1 1.378 0.020 . 2 . . . A 15 ILE HG13 . 25125 1 172 . 1 1 15 15 ILE HG21 H 1 0.953 0.020 . 1 . . . A 15 ILE HG21 . 25125 1 173 . 1 1 15 15 ILE HG22 H 1 0.953 0.020 . 1 . . . A 15 ILE HG22 . 25125 1 174 . 1 1 15 15 ILE HG23 H 1 0.953 0.020 . 1 . . . A 15 ILE HG23 . 25125 1 175 . 1 1 15 15 ILE HD11 H 1 0.634 0.020 . 1 . . . A 15 ILE HD11 . 25125 1 176 . 1 1 15 15 ILE HD12 H 1 0.634 0.020 . 1 . . . A 15 ILE HD12 . 25125 1 177 . 1 1 15 15 ILE HD13 H 1 0.634 0.020 . 1 . . . A 15 ILE HD13 . 25125 1 178 . 1 1 15 15 ILE C C 13 177.861 0.3 . 1 . . . A 15 ILE C . 25125 1 179 . 1 1 15 15 ILE CA C 13 61.200 0.3 . 1 . . . A 15 ILE CA . 25125 1 180 . 1 1 15 15 ILE CB C 13 35.886 0.3 . 1 . . . A 15 ILE CB . 25125 1 181 . 1 1 15 15 ILE CG1 C 13 26.883 0.3 . 1 . . . A 15 ILE CG1 . 25125 1 182 . 1 1 15 15 ILE CG2 C 13 17.587 0.3 . 1 . . . A 15 ILE CG2 . 25125 1 183 . 1 1 15 15 ILE CD1 C 13 9.240 0.3 . 1 . . . A 15 ILE CD1 . 25125 1 184 . 1 1 15 15 ILE N N 15 123.637 0.3 . 1 . . . A 15 ILE N . 25125 1 185 . 1 1 16 16 ARG H H 1 7.562 0.020 . 1 . . . A 16 ARG H . 25125 1 186 . 1 1 16 16 ARG HA H 1 3.723 0.020 . 1 . . . A 16 ARG HA . 25125 1 187 . 1 1 16 16 ARG HB2 H 1 2.022 0.020 . 2 . . . A 16 ARG HB2 . 25125 1 188 . 1 1 16 16 ARG HB3 H 1 1.719 0.020 . 2 . . . A 16 ARG HB3 . 25125 1 189 . 1 1 16 16 ARG HG2 H 1 1.059 0.020 . 1 . . . A 16 ARG HG2 . 25125 1 190 . 1 1 16 16 ARG HG3 H 1 1.059 0.020 . 1 . . . A 16 ARG HG3 . 25125 1 191 . 1 1 16 16 ARG HD2 H 1 3.845 0.020 . 2 . . . A 16 ARG HD2 . 25125 1 192 . 1 1 16 16 ARG HD3 H 1 2.902 0.020 . 2 . . . A 16 ARG HD3 . 25125 1 193 . 1 1 16 16 ARG C C 13 177.448 0.3 . 1 . . . A 16 ARG C . 25125 1 194 . 1 1 16 16 ARG CA C 13 61.573 0.3 . 1 . . . A 16 ARG CA . 25125 1 195 . 1 1 16 16 ARG CB C 13 30.447 0.3 . 1 . . . A 16 ARG CB . 25125 1 196 . 1 1 16 16 ARG CG C 13 29.045 0.3 . 1 . . . A 16 ARG CG . 25125 1 197 . 1 1 16 16 ARG CD C 13 43.535 0.3 . 1 . . . A 16 ARG CD . 25125 1 198 . 1 1 16 16 ARG N N 15 116.694 0.3 . 1 . . . A 16 ARG N . 25125 1 199 . 1 1 17 17 TRP H H 1 8.005 0.020 . 1 . . . A 17 TRP H . 25125 1 200 . 1 1 17 17 TRP HA H 1 4.471 0.020 . 1 . . . A 17 TRP HA . 25125 1 201 . 1 1 17 17 TRP HB2 H 1 3.445 0.020 . 2 . . . A 17 TRP HB2 . 25125 1 202 . 1 1 17 17 TRP HB3 H 1 3.350 0.020 . 2 . . . A 17 TRP HB3 . 25125 1 203 . 1 1 17 17 TRP HD1 H 1 7.259 0.020 . 1 . . . A 17 TRP HD1 . 25125 1 204 . 1 1 17 17 TRP HE1 H 1 10.031 0.020 . 1 . . . A 17 TRP HE1 . 25125 1 205 . 1 1 17 17 TRP HE3 H 1 7.590 0.020 . 1 . . . A 17 TRP HE3 . 25125 1 206 . 1 1 17 17 TRP HZ2 H 1 7.416 0.020 . 1 . . . A 17 TRP HZ2 . 25125 1 207 . 1 1 17 17 TRP HZ3 H 1 7.085 0.020 . 1 . . . A 17 TRP HZ3 . 25125 1 208 . 1 1 17 17 TRP HH2 H 1 7.159 0.020 . 1 . . . A 17 TRP HH2 . 25125 1 209 . 1 1 17 17 TRP CA C 13 60.440 0.3 . 1 . . . A 17 TRP CA . 25125 1 210 . 1 1 17 17 TRP CB C 13 29.292 0.3 . 1 . . . A 17 TRP CB . 25125 1 211 . 1 1 17 17 TRP CD1 C 13 127.154 0.3 . 1 . . . A 17 TRP CD1 . 25125 1 212 . 1 1 17 17 TRP CE3 C 13 120.950 0.3 . 1 . . . A 17 TRP CE3 . 25125 1 213 . 1 1 17 17 TRP CZ2 C 13 114.252 0.3 . 1 . . . A 17 TRP CZ2 . 25125 1 214 . 1 1 17 17 TRP CZ3 C 13 121.759 0.3 . 1 . . . A 17 TRP CZ3 . 25125 1 215 . 1 1 17 17 TRP CH2 C 13 124.262 0.3 . 1 . . . A 17 TRP CH2 . 25125 1 216 . 1 1 17 17 TRP N N 15 116.848 0.3 . 1 . . . A 17 TRP N . 25125 1 217 . 1 1 17 17 TRP NE1 N 15 128.780 0.3 . 1 . . . A 17 TRP NE1 . 25125 1 218 . 1 1 18 18 VAL H H 1 8.110 0.020 . 1 . . . A 18 VAL H . 25125 1 219 . 1 1 18 18 VAL HA H 1 3.675 0.020 . 1 . . . A 18 VAL HA . 25125 1 220 . 1 1 18 18 VAL HB H 1 2.283 0.020 . 1 . . . A 18 VAL HB . 25125 1 221 . 1 1 18 18 VAL HG11 H 1 1.162 0.020 . 2 . . . A 18 VAL HG11 . 25125 1 222 . 1 1 18 18 VAL HG12 H 1 1.162 0.020 . 2 . . . A 18 VAL HG12 . 25125 1 223 . 1 1 18 18 VAL HG13 H 1 1.162 0.020 . 2 . . . A 18 VAL HG13 . 25125 1 224 . 1 1 18 18 VAL HG21 H 1 1.192 0.020 . 2 . . . A 18 VAL HG21 . 25125 1 225 . 1 1 18 18 VAL HG22 H 1 1.192 0.020 . 2 . . . A 18 VAL HG22 . 25125 1 226 . 1 1 18 18 VAL HG23 H 1 1.192 0.020 . 2 . . . A 18 VAL HG23 . 25125 1 227 . 1 1 18 18 VAL C C 13 179.181 0.3 . 1 . . . A 18 VAL C . 25125 1 228 . 1 1 18 18 VAL CA C 13 65.708 0.3 . 1 . . . A 18 VAL CA . 25125 1 229 . 1 1 18 18 VAL CB C 13 31.637 0.3 . 1 . . . A 18 VAL CB . 25125 1 230 . 1 1 18 18 VAL CG1 C 13 21.200 0.3 . 1 . . . A 18 VAL CG1 . 25125 1 231 . 1 1 18 18 VAL CG2 C 13 22.229 0.3 . 1 . . . A 18 VAL CG2 . 25125 1 232 . 1 1 18 18 VAL N N 15 116.964 0.3 . 1 . . . A 18 VAL N . 25125 1 233 . 1 1 19 19 LEU H H 1 8.073 0.020 . 1 . . . A 19 LEU H . 25125 1 234 . 1 1 19 19 LEU HA H 1 4.075 0.020 . 1 . . . A 19 LEU HA . 25125 1 235 . 1 1 19 19 LEU HB2 H 1 1.990 0.020 . 2 . . . A 19 LEU HB2 . 25125 1 236 . 1 1 19 19 LEU HB3 H 1 1.179 0.020 . 2 . . . A 19 LEU HB3 . 25125 1 237 . 1 1 19 19 LEU HG H 1 1.806 0.020 . 1 . . . A 19 LEU HG . 25125 1 238 . 1 1 19 19 LEU HD11 H 1 0.805 0.020 . 2 . . . A 19 LEU HD11 . 25125 1 239 . 1 1 19 19 LEU HD12 H 1 0.805 0.020 . 2 . . . A 19 LEU HD12 . 25125 1 240 . 1 1 19 19 LEU HD13 H 1 0.805 0.020 . 2 . . . A 19 LEU HD13 . 25125 1 241 . 1 1 19 19 LEU HD21 H 1 0.582 0.020 . 2 . . . A 19 LEU HD21 . 25125 1 242 . 1 1 19 19 LEU HD22 H 1 0.582 0.020 . 2 . . . A 19 LEU HD22 . 25125 1 243 . 1 1 19 19 LEU HD23 H 1 0.582 0.020 . 2 . . . A 19 LEU HD23 . 25125 1 244 . 1 1 19 19 LEU C C 13 177.778 0.3 . 1 . . . A 19 LEU C . 25125 1 245 . 1 1 19 19 LEU CA C 13 57.822 0.3 . 1 . . . A 19 LEU CA . 25125 1 246 . 1 1 19 19 LEU CB C 13 41.781 0.3 . 1 . . . A 19 LEU CB . 25125 1 247 . 1 1 19 19 LEU CG C 13 27.654 0.3 . 1 . . . A 19 LEU CG . 25125 1 248 . 1 1 19 19 LEU CD1 C 13 26.896 0.3 . 1 . . . A 19 LEU CD1 . 25125 1 249 . 1 1 19 19 LEU CD2 C 13 22.206 0.3 . 1 . . . A 19 LEU CD2 . 25125 1 250 . 1 1 19 19 LEU N N 15 120.186 0.3 . 1 . . . A 19 LEU N . 25125 1 251 . 1 1 20 20 GLU H H 1 8.387 0.020 . 1 . . . A 20 GLU H . 25125 1 252 . 1 1 20 20 GLU HA H 1 3.941 0.020 . 1 . . . A 20 GLU HA . 25125 1 253 . 1 1 20 20 GLU HB2 H 1 2.047 0.020 . 1 . . . A 20 GLU HB2 . 25125 1 254 . 1 1 20 20 GLU HB3 H 1 2.047 0.020 . 1 . . . A 20 GLU HB3 . 25125 1 255 . 1 1 20 20 GLU HG2 H 1 2.204 0.020 . 2 . . . A 20 GLU HG2 . 25125 1 256 . 1 1 20 20 GLU HG3 H 1 2.127 0.020 . 2 . . . A 20 GLU HG3 . 25125 1 257 . 1 1 20 20 GLU C C 13 178.603 0.3 . 1 . . . A 20 GLU C . 25125 1 258 . 1 1 20 20 GLU CA C 13 60.610 0.3 . 1 . . . A 20 GLU CA . 25125 1 259 . 1 1 20 20 GLU CB C 13 29.088 0.3 . 1 . . . A 20 GLU CB . 25125 1 260 . 1 1 20 20 GLU CG C 13 36.064 0.3 . 1 . . . A 20 GLU CG . 25125 1 261 . 1 1 20 20 GLU N N 15 120.193 0.3 . 1 . . . A 20 GLU N . 25125 1 262 . 1 1 21 21 ARG H H 1 7.602 0.020 . 1 . . . A 21 ARG H . 25125 1 263 . 1 1 21 21 ARG HA H 1 3.893 0.020 . 1 . . . A 21 ARG HA . 25125 1 264 . 1 1 21 21 ARG HB2 H 1 1.611 0.020 . 2 . . . A 21 ARG HB2 . 25125 1 265 . 1 1 21 21 ARG HB3 H 1 1.482 0.020 . 2 . . . A 21 ARG HB3 . 25125 1 266 . 1 1 21 21 ARG HG2 H 1 1.259 0.020 . 1 . . . A 21 ARG HG2 . 25125 1 267 . 1 1 21 21 ARG HG3 H 1 1.259 0.020 . 1 . . . A 21 ARG HG3 . 25125 1 268 . 1 1 21 21 ARG HD2 H 1 2.726 0.020 . 2 . . . A 21 ARG HD2 . 25125 1 269 . 1 1 21 21 ARG HD3 H 1 2.703 0.020 . 2 . . . A 21 ARG HD3 . 25125 1 270 . 1 1 21 21 ARG C C 13 179.676 0.3 . 1 . . . A 21 ARG C . 25125 1 271 . 1 1 21 21 ARG CA C 13 58.449 0.3 . 1 . . . A 21 ARG CA . 25125 1 272 . 1 1 21 21 ARG CB C 13 29.853 0.3 . 1 . . . A 21 ARG CB . 25125 1 273 . 1 1 21 21 ARG CG C 13 26.250 0.3 . 1 . . . A 21 ARG CG . 25125 1 274 . 1 1 21 21 ARG CD C 13 43.000 0.3 . 1 . . . A 21 ARG CD . 25125 1 275 . 1 1 21 21 ARG N N 15 116.076 0.3 . 1 . . . A 21 ARG N . 25125 1 276 . 1 1 22 22 ALA H H 1 7.992 0.020 . 1 . . . A 22 ALA H . 25125 1 277 . 1 1 22 22 ALA HA H 1 4.097 0.020 . 1 . . . A 22 ALA HA . 25125 1 278 . 1 1 22 22 ALA HB1 H 1 1.388 0.020 . 1 . . . A 22 ALA HB1 . 25125 1 279 . 1 1 22 22 ALA HB2 H 1 1.388 0.020 . 1 . . . A 22 ALA HB2 . 25125 1 280 . 1 1 22 22 ALA HB3 H 1 1.388 0.020 . 1 . . . A 22 ALA HB3 . 25125 1 281 . 1 1 22 22 ALA C C 13 180.501 0.3 . 1 . . . A 22 ALA C . 25125 1 282 . 1 1 22 22 ALA CA C 13 54.578 0.3 . 1 . . . A 22 ALA CA . 25125 1 283 . 1 1 22 22 ALA CB C 13 19.232 0.3 . 1 . . . A 22 ALA CB . 25125 1 284 . 1 1 22 22 ALA N N 15 122.405 0.3 . 1 . . . A 22 ALA N . 25125 1 285 . 1 1 23 23 LEU H H 1 8.825 0.020 . 1 . . . A 23 LEU H . 25125 1 286 . 1 1 23 23 LEU HA H 1 4.001 0.020 . 1 . . . A 23 LEU HA . 25125 1 287 . 1 1 23 23 LEU HB2 H 1 1.904 0.020 . 2 . . . A 23 LEU HB2 . 25125 1 288 . 1 1 23 23 LEU HB3 H 1 1.109 0.020 . 2 . . . A 23 LEU HB3 . 25125 1 289 . 1 1 23 23 LEU HG H 1 1.872 0.020 . 1 . . . A 23 LEU HG . 25125 1 290 . 1 1 23 23 LEU HD11 H 1 0.759 0.020 . 2 . . . A 23 LEU HD11 . 25125 1 291 . 1 1 23 23 LEU HD12 H 1 0.759 0.020 . 2 . . . A 23 LEU HD12 . 25125 1 292 . 1 1 23 23 LEU HD13 H 1 0.759 0.020 . 2 . . . A 23 LEU HD13 . 25125 1 293 . 1 1 23 23 LEU HD21 H 1 0.756 0.020 . 2 . . . A 23 LEU HD21 . 25125 1 294 . 1 1 23 23 LEU HD22 H 1 0.756 0.020 . 2 . . . A 23 LEU HD22 . 25125 1 295 . 1 1 23 23 LEU HD23 H 1 0.756 0.020 . 2 . . . A 23 LEU HD23 . 25125 1 296 . 1 1 23 23 LEU C C 13 178.878 0.3 . 1 . . . A 23 LEU C . 25125 1 297 . 1 1 23 23 LEU CA C 13 57.721 0.3 . 1 . . . A 23 LEU CA . 25125 1 298 . 1 1 23 23 LEU CB C 13 39.655 0.3 . 1 . . . A 23 LEU CB . 25125 1 299 . 1 1 23 23 LEU CG C 13 27.266 0.3 . 1 . . . A 23 LEU CG . 25125 1 300 . 1 1 23 23 LEU CD1 C 13 26.714 0.3 . 1 . . . A 23 LEU CD1 . 25125 1 301 . 1 1 23 23 LEU CD2 C 13 23.585 0.3 . 1 . . . A 23 LEU CD2 . 25125 1 302 . 1 1 23 23 LEU N N 15 118.026 0.3 . 1 . . . A 23 LEU N . 25125 1 303 . 1 1 24 24 ALA H H 1 8.125 0.020 . 1 . . . A 24 ALA H . 25125 1 304 . 1 1 24 24 ALA HA H 1 4.633 0.020 . 1 . . . A 24 ALA HA . 25125 1 305 . 1 1 24 24 ALA HB1 H 1 1.513 0.020 . 1 . . . A 24 ALA HB1 . 25125 1 306 . 1 1 24 24 ALA HB2 H 1 1.513 0.020 . 1 . . . A 24 ALA HB2 . 25125 1 307 . 1 1 24 24 ALA HB3 H 1 1.513 0.020 . 1 . . . A 24 ALA HB3 . 25125 1 308 . 1 1 24 24 ALA C C 13 183.141 0.3 . 1 . . . A 24 ALA C . 25125 1 309 . 1 1 24 24 ALA CA C 13 54.747 0.3 . 1 . . . A 24 ALA CA . 25125 1 310 . 1 1 24 24 ALA CB C 13 17.702 0.3 . 1 . . . A 24 ALA CB . 25125 1 311 . 1 1 24 24 ALA N N 15 122.159 0.3 . 1 . . . A 24 ALA N . 25125 1 312 . 1 1 25 25 GLY H H 1 7.870 0.020 . 1 . . . A 25 GLY H . 25125 1 313 . 1 1 25 25 GLY HA2 H 1 3.899 0.020 . 2 . . . A 25 GLY HA2 . 25125 1 314 . 1 1 25 25 GLY HA3 H 1 3.875 0.020 . 2 . . . A 25 GLY HA3 . 25125 1 315 . 1 1 25 25 GLY C C 13 174.286 0.3 . 1 . . . A 25 GLY C . 25125 1 316 . 1 1 25 25 GLY CA C 13 46.421 0.3 . 1 . . . A 25 GLY CA . 25125 1 317 . 1 1 25 25 GLY N N 15 106.891 0.3 . 1 . . . A 25 GLY N . 25125 1 318 . 1 1 26 26 ALA H H 1 7.285 0.020 . 1 . . . A 26 ALA H . 25125 1 319 . 1 1 26 26 ALA HA H 1 4.499 0.020 . 1 . . . A 26 ALA HA . 25125 1 320 . 1 1 26 26 ALA HB1 H 1 1.438 0.020 . 1 . . . A 26 ALA HB1 . 25125 1 321 . 1 1 26 26 ALA HB2 H 1 1.438 0.020 . 1 . . . A 26 ALA HB2 . 25125 1 322 . 1 1 26 26 ALA HB3 H 1 1.438 0.020 . 1 . . . A 26 ALA HB3 . 25125 1 323 . 1 1 26 26 ALA C C 13 176.953 0.3 . 1 . . . A 26 ALA C . 25125 1 324 . 1 1 26 26 ALA CA C 13 51.519 0.3 . 1 . . . A 26 ALA CA . 25125 1 325 . 1 1 26 26 ALA CB C 13 18.722 0.3 . 1 . . . A 26 ALA CB . 25125 1 326 . 1 1 26 26 ALA N N 15 121.819 0.3 . 1 . . . A 26 ALA N . 25125 1 327 . 1 1 27 27 GLY H H 1 7.824 0.020 . 1 . . . A 27 GLY H . 25125 1 328 . 1 1 27 27 GLY HA2 H 1 4.248 0.020 . 2 . . . A 27 GLY HA2 . 25125 1 329 . 1 1 27 27 GLY HA3 H 1 3.739 0.020 . 2 . . . A 27 GLY HA3 . 25125 1 330 . 1 1 27 27 GLY C C 13 173.956 0.3 . 1 . . . A 27 GLY C . 25125 1 331 . 1 1 27 27 GLY CA C 13 45.316 0.3 . 1 . . . A 27 GLY CA . 25125 1 332 . 1 1 27 27 GLY N N 15 106.197 0.3 . 1 . . . A 27 GLY N . 25125 1 333 . 1 1 28 28 LEU H H 1 7.678 0.020 . 1 . . . A 28 LEU H . 25125 1 334 . 1 1 28 28 LEU HA H 1 4.575 0.020 . 1 . . . A 28 LEU HA . 25125 1 335 . 1 1 28 28 LEU HB2 H 1 1.440 0.020 . 2 . . . A 28 LEU HB2 . 25125 1 336 . 1 1 28 28 LEU HB3 H 1 1.159 0.020 . 2 . . . A 28 LEU HB3 . 25125 1 337 . 1 1 28 28 LEU HG H 1 1.442 0.020 . 1 . . . A 28 LEU HG . 25125 1 338 . 1 1 28 28 LEU HD11 H 1 0.705 0.020 . 2 . . . A 28 LEU HD11 . 25125 1 339 . 1 1 28 28 LEU HD12 H 1 0.705 0.020 . 2 . . . A 28 LEU HD12 . 25125 1 340 . 1 1 28 28 LEU HD13 H 1 0.705 0.020 . 2 . . . A 28 LEU HD13 . 25125 1 341 . 1 1 28 28 LEU HD21 H 1 0.624 0.020 . 2 . . . A 28 LEU HD21 . 25125 1 342 . 1 1 28 28 LEU HD22 H 1 0.624 0.020 . 2 . . . A 28 LEU HD22 . 25125 1 343 . 1 1 28 28 LEU HD23 H 1 0.624 0.020 . 2 . . . A 28 LEU HD23 . 25125 1 344 . 1 1 28 28 LEU C C 13 175.881 0.3 . 1 . . . A 28 LEU C . 25125 1 345 . 1 1 28 28 LEU CA C 13 53.643 0.3 . 1 . . . A 28 LEU CA . 25125 1 346 . 1 1 28 28 LEU CB C 13 42.485 0.3 . 1 . . . A 28 LEU CB . 25125 1 347 . 1 1 28 28 LEU CG C 13 27.171 0.3 . 1 . . . A 28 LEU CG . 25125 1 348 . 1 1 28 28 LEU CD1 C 13 25.873 0.3 . 1 . . . A 28 LEU CD1 . 25125 1 349 . 1 1 28 28 LEU CD2 C 13 23.585 0.3 . 1 . . . A 28 LEU CD2 . 25125 1 350 . 1 1 28 28 LEU N N 15 120.291 0.3 . 1 . . . A 28 LEU N . 25125 1 351 . 1 1 29 29 THR H H 1 8.527 0.020 . 1 . . . A 29 THR H . 25125 1 352 . 1 1 29 29 THR HA H 1 4.335 0.020 . 1 . . . A 29 THR HA . 25125 1 353 . 1 1 29 29 THR HB H 1 4.130 0.020 . 1 . . . A 29 THR HB . 25125 1 354 . 1 1 29 29 THR HG21 H 1 1.238 0.020 . 1 . . . A 29 THR HG21 . 25125 1 355 . 1 1 29 29 THR HG22 H 1 1.238 0.020 . 1 . . . A 29 THR HG22 . 25125 1 356 . 1 1 29 29 THR HG23 H 1 1.238 0.020 . 1 . . . A 29 THR HG23 . 25125 1 357 . 1 1 29 29 THR C C 13 173.186 0.3 . 1 . . . A 29 THR C . 25125 1 358 . 1 1 29 29 THR CA C 13 62.479 0.3 . 1 . . . A 29 THR CA . 25125 1 359 . 1 1 29 29 THR CB C 13 69.465 0.3 . 1 . . . A 29 THR CB . 25125 1 360 . 1 1 29 29 THR CG2 C 13 21.544 0.3 . 1 . . . A 29 THR CG2 . 25125 1 361 . 1 1 29 29 THR N N 15 118.040 0.3 . 1 . . . A 29 THR N . 25125 1 362 . 1 1 30 30 CYS H H 1 8.968 0.020 . 1 . . . A 30 CYS H . 25125 1 363 . 1 1 30 30 CYS HA H 1 5.943 0.020 . 1 . . . A 30 CYS HA . 25125 1 364 . 1 1 30 30 CYS HB2 H 1 2.797 0.020 . 2 . . . A 30 CYS HB2 . 25125 1 365 . 1 1 30 30 CYS HB3 H 1 2.423 0.020 . 2 . . . A 30 CYS HB3 . 25125 1 366 . 1 1 30 30 CYS C C 13 173.846 0.3 . 1 . . . A 30 CYS C . 25125 1 367 . 1 1 30 30 CYS CA C 13 56.362 0.3 . 1 . . . A 30 CYS CA . 25125 1 368 . 1 1 30 30 CYS CB C 13 29.480 0.3 . 1 . . . A 30 CYS CB . 25125 1 369 . 1 1 30 30 CYS N N 15 128.387 0.3 . 1 . . . A 30 CYS N . 25125 1 370 . 1 1 31 31 THR H H 1 8.614 0.020 . 1 . . . A 31 THR H . 25125 1 371 . 1 1 31 31 THR HA H 1 4.433 0.020 . 1 . . . A 31 THR HA . 25125 1 372 . 1 1 31 31 THR HB H 1 3.411 0.020 . 1 . . . A 31 THR HB . 25125 1 373 . 1 1 31 31 THR HG21 H 1 0.416 0.020 . 1 . . . A 31 THR HG21 . 25125 1 374 . 1 1 31 31 THR HG22 H 1 0.416 0.020 . 1 . . . A 31 THR HG22 . 25125 1 375 . 1 1 31 31 THR HG23 H 1 0.416 0.020 . 1 . . . A 31 THR HG23 . 25125 1 376 . 1 1 31 31 THR C C 13 172.609 0.3 . 1 . . . A 31 THR C . 25125 1 377 . 1 1 31 31 THR CA C 13 61.951 0.3 . 1 . . . A 31 THR CA . 25125 1 378 . 1 1 31 31 THR CB C 13 70.567 0.3 . 1 . . . A 31 THR CB . 25125 1 379 . 1 1 31 31 THR CG2 C 13 22.424 0.3 . 1 . . . A 31 THR CG2 . 25125 1 380 . 1 1 31 31 THR N N 15 126.481 0.3 . 1 . . . A 31 THR N . 25125 1 381 . 1 1 32 32 THR H H 1 8.299 0.020 . 1 . . . A 32 THR H . 25125 1 382 . 1 1 32 32 THR HA H 1 5.330 0.020 . 1 . . . A 32 THR HA . 25125 1 383 . 1 1 32 32 THR HB H 1 3.907 0.020 . 1 . . . A 32 THR HB . 25125 1 384 . 1 1 32 32 THR HG21 H 1 1.123 0.020 . 1 . . . A 32 THR HG21 . 25125 1 385 . 1 1 32 32 THR HG22 H 1 1.123 0.020 . 1 . . . A 32 THR HG22 . 25125 1 386 . 1 1 32 32 THR HG23 H 1 1.123 0.020 . 1 . . . A 32 THR HG23 . 25125 1 387 . 1 1 32 32 THR C C 13 172.306 0.3 . 1 . . . A 32 THR C . 25125 1 388 . 1 1 32 32 THR CA C 13 59.173 0.3 . 1 . . . A 32 THR CA . 25125 1 389 . 1 1 32 32 THR CB C 13 70.917 0.3 . 1 . . . A 32 THR CB . 25125 1 390 . 1 1 32 32 THR CG2 C 13 21.836 0.3 . 1 . . . A 32 THR CG2 . 25125 1 391 . 1 1 32 32 THR N N 15 116.418 0.3 . 1 . . . A 32 THR N . 25125 1 392 . 1 1 33 33 PHE H H 1 8.890 0.020 . 1 . . . A 33 PHE H . 25125 1 393 . 1 1 33 33 PHE HA H 1 4.643 0.020 . 1 . . . A 33 PHE HA . 25125 1 394 . 1 1 33 33 PHE HB2 H 1 3.052 0.020 . 2 . . . A 33 PHE HB2 . 25125 1 395 . 1 1 33 33 PHE HB3 H 1 2.497 0.020 . 2 . . . A 33 PHE HB3 . 25125 1 396 . 1 1 33 33 PHE HD1 H 1 6.832 0.020 . 1 . . . A 33 PHE HD1 . 25125 1 397 . 1 1 33 33 PHE HD2 H 1 6.832 0.020 . 1 . . . A 33 PHE HD2 . 25125 1 398 . 1 1 33 33 PHE HE1 H 1 6.267 0.020 . 1 . . . A 33 PHE HE1 . 25125 1 399 . 1 1 33 33 PHE HE2 H 1 6.267 0.020 . 1 . . . A 33 PHE HE2 . 25125 1 400 . 1 1 33 33 PHE HZ H 1 5.297 0.020 . 1 . . . A 33 PHE HZ . 25125 1 401 . 1 1 33 33 PHE C C 13 174.341 0.3 . 1 . . . A 33 PHE C . 25125 1 402 . 1 1 33 33 PHE CA C 13 56.532 0.3 . 1 . . . A 33 PHE CA . 25125 1 403 . 1 1 33 33 PHE CB C 13 43.309 0.3 . 1 . . . A 33 PHE CB . 25125 1 404 . 1 1 33 33 PHE CD1 C 13 131.153 0.3 . 1 . . . A 33 PHE CD1 . 25125 1 405 . 1 1 33 33 PHE CD2 C 13 131.153 0.3 . 1 . . . A 33 PHE CD2 . 25125 1 406 . 1 1 33 33 PHE CE1 C 13 130.427 0.3 . 1 . . . A 33 PHE CE1 . 25125 1 407 . 1 1 33 33 PHE CE2 C 13 130.427 0.3 . 1 . . . A 33 PHE CE2 . 25125 1 408 . 1 1 33 33 PHE CZ C 13 128.694 0.3 . 1 . . . A 33 PHE CZ . 25125 1 409 . 1 1 33 33 PHE N N 15 118.067 0.3 . 1 . . . A 33 PHE N . 25125 1 410 . 1 1 34 34 GLU H H 1 9.023 0.020 . 1 . . . A 34 GLU H . 25125 1 411 . 1 1 34 34 GLU HA H 1 4.354 0.020 . 1 . . . A 34 GLU HA . 25125 1 412 . 1 1 34 34 GLU HB2 H 1 2.030 0.020 . 1 . . . A 34 GLU HB2 . 25125 1 413 . 1 1 34 34 GLU HB3 H 1 2.030 0.020 . 1 . . . A 34 GLU HB3 . 25125 1 414 . 1 1 34 34 GLU HG2 H 1 2.270 0.020 . 2 . . . A 34 GLU HG2 . 25125 1 415 . 1 1 34 34 GLU HG3 H 1 2.185 0.020 . 2 . . . A 34 GLU HG3 . 25125 1 416 . 1 1 34 34 GLU C C 13 175.414 0.3 . 1 . . . A 34 GLU C . 25125 1 417 . 1 1 34 34 GLU CA C 13 56.692 0.3 . 1 . . . A 34 GLU CA . 25125 1 418 . 1 1 34 34 GLU CB C 13 31.467 0.3 . 1 . . . A 34 GLU CB . 25125 1 419 . 1 1 34 34 GLU CG C 13 36.394 0.3 . 1 . . . A 34 GLU CG . 25125 1 420 . 1 1 34 34 GLU N N 15 118.499 0.3 . 1 . . . A 34 GLU N . 25125 1 421 . 1 1 35 35 ASN H H 1 7.401 0.020 . 1 . . . A 35 ASN H . 25125 1 422 . 1 1 35 35 ASN HA H 1 4.781 0.020 . 1 . . . A 35 ASN HA . 25125 1 423 . 1 1 35 35 ASN HB2 H 1 2.932 0.020 . 1 . . . A 35 ASN HB2 . 25125 1 424 . 1 1 35 35 ASN HB3 H 1 2.932 0.020 . 1 . . . A 35 ASN HB3 . 25125 1 425 . 1 1 35 35 ASN HD21 H 1 7.052 0.020 . 1 . . . A 35 ASN HD21 . 25125 1 426 . 1 1 35 35 ASN HD22 H 1 7.789 0.020 . 1 . . . A 35 ASN HD22 . 25125 1 427 . 1 1 35 35 ASN C C 13 175.139 0.3 . 1 . . . A 35 ASN C . 25125 1 428 . 1 1 35 35 ASN CA C 13 52.146 0.3 . 1 . . . A 35 ASN CA . 25125 1 429 . 1 1 35 35 ASN CB C 13 41.323 0.3 . 1 . . . A 35 ASN CB . 25125 1 430 . 1 1 35 35 ASN N N 15 109.907 0.3 . 1 . . . A 35 ASN N . 25125 1 431 . 1 1 35 35 ASN ND2 N 15 116.095 0.3 . 1 . . . A 35 ASN ND2 . 25125 1 432 . 1 1 36 36 GLY H H 1 8.877 0.020 . 1 . . . A 36 GLY H . 25125 1 433 . 1 1 36 36 GLY HA2 H 1 3.857 0.020 . 2 . . . A 36 GLY HA2 . 25125 1 434 . 1 1 36 36 GLY HA3 H 1 3.648 0.020 . 2 . . . A 36 GLY HA3 . 25125 1 435 . 1 1 36 36 GLY C C 13 174.616 0.3 . 1 . . . A 36 GLY C . 25125 1 436 . 1 1 36 36 GLY CA C 13 47.016 0.3 . 1 . . . A 36 GLY CA . 25125 1 437 . 1 1 36 36 GLY N N 15 106.739 0.3 . 1 . . . A 36 GLY N . 25125 1 438 . 1 1 37 37 ASN H H 1 8.366 0.020 . 1 . . . A 37 ASN H . 25125 1 439 . 1 1 37 37 ASN HA H 1 4.362 0.020 . 1 . . . A 37 ASN HA . 25125 1 440 . 1 1 37 37 ASN HB2 H 1 2.822 0.020 . 2 . . . A 37 ASN HB2 . 25125 1 441 . 1 1 37 37 ASN HB3 H 1 2.699 0.020 . 2 . . . A 37 ASN HB3 . 25125 1 442 . 1 1 37 37 ASN HD21 H 1 6.825 0.020 . 1 . . . A 37 ASN HD21 . 25125 1 443 . 1 1 37 37 ASN HD22 H 1 7.541 0.020 . 1 . . . A 37 ASN HD22 . 25125 1 444 . 1 1 37 37 ASN C C 13 178.686 0.3 . 1 . . . A 37 ASN C . 25125 1 445 . 1 1 37 37 ASN CA C 13 56.532 0.3 . 1 . . . A 37 ASN CA . 25125 1 446 . 1 1 37 37 ASN CB C 13 37.584 0.3 . 1 . . . A 37 ASN CB . 25125 1 447 . 1 1 37 37 ASN N N 15 120.462 0.3 . 1 . . . A 37 ASN N . 25125 1 448 . 1 1 37 37 ASN ND2 N 15 112.560 0.3 . 1 . . . A 37 ASN ND2 . 25125 1 449 . 1 1 38 38 GLU H H 1 7.990 0.020 . 1 . . . A 38 GLU H . 25125 1 450 . 1 1 38 38 GLU HA H 1 4.070 0.020 . 1 . . . A 38 GLU HA . 25125 1 451 . 1 1 38 38 GLU HB2 H 1 2.275 0.020 . 1 . . . A 38 GLU HB2 . 25125 1 452 . 1 1 38 38 GLU HB3 H 1 2.275 0.020 . 1 . . . A 38 GLU HB3 . 25125 1 453 . 1 1 38 38 GLU HG2 H 1 2.537 0.020 . 2 . . . A 38 GLU HG2 . 25125 1 454 . 1 1 38 38 GLU HG3 H 1 2.337 0.020 . 2 . . . A 38 GLU HG3 . 25125 1 455 . 1 1 38 38 GLU C C 13 179.263 0.3 . 1 . . . A 38 GLU C . 25125 1 456 . 1 1 38 38 GLU CA C 13 58.632 0.3 . 1 . . . A 38 GLU CA . 25125 1 457 . 1 1 38 38 GLU CB C 13 30.532 0.3 . 1 . . . A 38 GLU CB . 25125 1 458 . 1 1 38 38 GLU CG C 13 36.429 0.3 . 1 . . . A 38 GLU CG . 25125 1 459 . 1 1 38 38 GLU N N 15 119.360 0.3 . 1 . . . A 38 GLU N . 25125 1 460 . 1 1 39 39 VAL H H 1 6.883 0.020 . 1 . . . A 39 VAL H . 25125 1 461 . 1 1 39 39 VAL HA H 1 2.768 0.020 . 1 . . . A 39 VAL HA . 25125 1 462 . 1 1 39 39 VAL HB H 1 1.777 0.020 . 1 . . . A 39 VAL HB . 25125 1 463 . 1 1 39 39 VAL HG11 H 1 0.835 0.020 . 2 . . . A 39 VAL HG11 . 25125 1 464 . 1 1 39 39 VAL HG12 H 1 0.835 0.020 . 2 . . . A 39 VAL HG12 . 25125 1 465 . 1 1 39 39 VAL HG13 H 1 0.835 0.020 . 2 . . . A 39 VAL HG13 . 25125 1 466 . 1 1 39 39 VAL HG21 H 1 0.390 0.020 . 2 . . . A 39 VAL HG21 . 25125 1 467 . 1 1 39 39 VAL HG22 H 1 0.390 0.020 . 2 . . . A 39 VAL HG22 . 25125 1 468 . 1 1 39 39 VAL HG23 H 1 0.390 0.020 . 2 . . . A 39 VAL HG23 . 25125 1 469 . 1 1 39 39 VAL C C 13 176.431 0.3 . 1 . . . A 39 VAL C . 25125 1 470 . 1 1 39 39 VAL CA C 13 64.943 0.3 . 1 . . . A 39 VAL CA . 25125 1 471 . 1 1 39 39 VAL CB C 13 31.075 0.3 . 1 . . . A 39 VAL CB . 25125 1 472 . 1 1 39 39 VAL CG1 C 13 20.854 0.3 . 1 . . . A 39 VAL CG1 . 25125 1 473 . 1 1 39 39 VAL CG2 C 13 23.303 0.3 . 1 . . . A 39 VAL CG2 . 25125 1 474 . 1 1 39 39 VAL N N 15 119.259 0.3 . 1 . . . A 39 VAL N . 25125 1 475 . 1 1 40 40 LEU H H 1 7.692 0.020 . 1 . . . A 40 LEU H . 25125 1 476 . 1 1 40 40 LEU HA H 1 3.927 0.020 . 1 . . . A 40 LEU HA . 25125 1 477 . 1 1 40 40 LEU HB2 H 1 1.784 0.020 . 2 . . . A 40 LEU HB2 . 25125 1 478 . 1 1 40 40 LEU HB3 H 1 1.471 0.020 . 2 . . . A 40 LEU HB3 . 25125 1 479 . 1 1 40 40 LEU HG H 1 1.443 0.020 . 1 . . . A 40 LEU HG . 25125 1 480 . 1 1 40 40 LEU HD11 H 1 0.745 0.020 . 2 . . . A 40 LEU HD11 . 25125 1 481 . 1 1 40 40 LEU HD12 H 1 0.745 0.020 . 2 . . . A 40 LEU HD12 . 25125 1 482 . 1 1 40 40 LEU HD13 H 1 0.745 0.020 . 2 . . . A 40 LEU HD13 . 25125 1 483 . 1 1 40 40 LEU HD21 H 1 0.818 0.020 . 2 . . . A 40 LEU HD21 . 25125 1 484 . 1 1 40 40 LEU HD22 H 1 0.818 0.020 . 2 . . . A 40 LEU HD22 . 25125 1 485 . 1 1 40 40 LEU HD23 H 1 0.818 0.020 . 2 . . . A 40 LEU HD23 . 25125 1 486 . 1 1 40 40 LEU C C 13 179.538 0.3 . 1 . . . A 40 LEU C . 25125 1 487 . 1 1 40 40 LEU CA C 13 57.940 0.3 . 1 . . . A 40 LEU CA . 25125 1 488 . 1 1 40 40 LEU CB C 13 41.068 0.3 . 1 . . . A 40 LEU CB . 25125 1 489 . 1 1 40 40 LEU CG C 13 27.156 0.3 . 1 . . . A 40 LEU CG . 25125 1 490 . 1 1 40 40 LEU CD1 C 13 22.774 0.3 . 1 . . . A 40 LEU CD1 . 25125 1 491 . 1 1 40 40 LEU CD2 C 13 25.252 0.3 . 1 . . . A 40 LEU CD2 . 25125 1 492 . 1 1 40 40 LEU N N 15 119.627 0.3 . 1 . . . A 40 LEU N . 25125 1 493 . 1 1 41 41 ALA H H 1 7.553 0.020 . 1 . . . A 41 ALA H . 25125 1 494 . 1 1 41 41 ALA HA H 1 4.140 0.020 . 1 . . . A 41 ALA HA . 25125 1 495 . 1 1 41 41 ALA HB1 H 1 1.443 0.020 . 1 . . . A 41 ALA HB1 . 25125 1 496 . 1 1 41 41 ALA HB2 H 1 1.443 0.020 . 1 . . . A 41 ALA HB2 . 25125 1 497 . 1 1 41 41 ALA HB3 H 1 1.443 0.020 . 1 . . . A 41 ALA HB3 . 25125 1 498 . 1 1 41 41 ALA C C 13 180.528 0.3 . 1 . . . A 41 ALA C . 25125 1 499 . 1 1 41 41 ALA CA C 13 54.650 0.3 . 1 . . . A 41 ALA CA . 25125 1 500 . 1 1 41 41 ALA CB C 13 17.866 0.3 . 1 . . . A 41 ALA CB . 25125 1 501 . 1 1 41 41 ALA N N 15 120.051 0.3 . 1 . . . A 41 ALA N . 25125 1 502 . 1 1 42 42 ALA H H 1 7.604 0.020 . 1 . . . A 42 ALA H . 25125 1 503 . 1 1 42 42 ALA HA H 1 4.199 0.020 . 1 . . . A 42 ALA HA . 25125 1 504 . 1 1 42 42 ALA HB1 H 1 1.297 0.020 . 1 . . . A 42 ALA HB1 . 25125 1 505 . 1 1 42 42 ALA HB2 H 1 1.297 0.020 . 1 . . . A 42 ALA HB2 . 25125 1 506 . 1 1 42 42 ALA HB3 H 1 1.297 0.020 . 1 . . . A 42 ALA HB3 . 25125 1 507 . 1 1 42 42 ALA C C 13 180.198 0.3 . 1 . . . A 42 ALA C . 25125 1 508 . 1 1 42 42 ALA CA C 13 55.032 0.3 . 1 . . . A 42 ALA CA . 25125 1 509 . 1 1 42 42 ALA CB C 13 19.399 0.3 . 1 . . . A 42 ALA CB . 25125 1 510 . 1 1 42 42 ALA N N 15 122.731 0.3 . 1 . . . A 42 ALA N . 25125 1 511 . 1 1 43 43 LEU H H 1 8.288 0.020 . 1 . . . A 43 LEU H . 25125 1 512 . 1 1 43 43 LEU HA H 1 5.206 0.020 . 1 . . . A 43 LEU HA . 25125 1 513 . 1 1 43 43 LEU HB2 H 1 1.950 0.020 . 2 . . . A 43 LEU HB2 . 25125 1 514 . 1 1 43 43 LEU HB3 H 1 1.664 0.020 . 2 . . . A 43 LEU HB3 . 25125 1 515 . 1 1 43 43 LEU HG H 1 2.132 0.020 . 1 . . . A 43 LEU HG . 25125 1 516 . 1 1 43 43 LEU HD11 H 1 0.802 0.020 . 2 . . . A 43 LEU HD11 . 25125 1 517 . 1 1 43 43 LEU HD12 H 1 0.802 0.020 . 2 . . . A 43 LEU HD12 . 25125 1 518 . 1 1 43 43 LEU HD13 H 1 0.802 0.020 . 2 . . . A 43 LEU HD13 . 25125 1 519 . 1 1 43 43 LEU HD21 H 1 0.730 0.020 . 2 . . . A 43 LEU HD21 . 25125 1 520 . 1 1 43 43 LEU HD22 H 1 0.730 0.020 . 2 . . . A 43 LEU HD22 . 25125 1 521 . 1 1 43 43 LEU HD23 H 1 0.730 0.020 . 2 . . . A 43 LEU HD23 . 25125 1 522 . 1 1 43 43 LEU C C 13 177.421 0.3 . 1 . . . A 43 LEU C . 25125 1 523 . 1 1 43 43 LEU CA C 13 55.545 0.3 . 1 . . . A 43 LEU CA . 25125 1 524 . 1 1 43 43 LEU CB C 13 42.604 0.3 . 1 . . . A 43 LEU CB . 25125 1 525 . 1 1 43 43 LEU CG C 13 26.884 0.3 . 1 . . . A 43 LEU CG . 25125 1 526 . 1 1 43 43 LEU CD1 C 13 26.444 0.3 . 1 . . . A 43 LEU CD1 . 25125 1 527 . 1 1 43 43 LEU CD2 C 13 24.574 0.3 . 1 . . . A 43 LEU CD2 . 25125 1 528 . 1 1 43 43 LEU N N 15 119.131 0.3 . 1 . . . A 43 LEU N . 25125 1 529 . 1 1 44 44 ALA H H 1 7.302 0.020 . 1 . . . A 44 ALA H . 25125 1 530 . 1 1 44 44 ALA HA H 1 4.229 0.020 . 1 . . . A 44 ALA HA . 25125 1 531 . 1 1 44 44 ALA HB1 H 1 1.539 0.020 . 1 . . . A 44 ALA HB1 . 25125 1 532 . 1 1 44 44 ALA HB2 H 1 1.539 0.020 . 1 . . . A 44 ALA HB2 . 25125 1 533 . 1 1 44 44 ALA HB3 H 1 1.539 0.020 . 1 . . . A 44 ALA HB3 . 25125 1 534 . 1 1 44 44 ALA C C 13 178.686 0.3 . 1 . . . A 44 ALA C . 25125 1 535 . 1 1 44 44 ALA CA C 13 54.238 0.3 . 1 . . . A 44 ALA CA . 25125 1 536 . 1 1 44 44 ALA CB C 13 18.516 0.3 . 1 . . . A 44 ALA CB . 25125 1 537 . 1 1 44 44 ALA N N 15 119.065 0.3 . 1 . . . A 44 ALA N . 25125 1 538 . 1 1 45 45 SER H H 1 7.728 0.020 . 1 . . . A 45 SER H . 25125 1 539 . 1 1 45 45 SER HA H 1 4.742 0.020 . 1 . . . A 45 SER HA . 25125 1 540 . 1 1 45 45 SER HB2 H 1 3.964 0.020 . 2 . . . A 45 SER HB2 . 25125 1 541 . 1 1 45 45 SER HB3 H 1 3.877 0.020 . 2 . . . A 45 SER HB3 . 25125 1 542 . 1 1 45 45 SER C C 13 173.296 0.3 . 1 . . . A 45 SER C . 25125 1 543 . 1 1 45 45 SER CA C 13 58.656 0.3 . 1 . . . A 45 SER CA . 25125 1 544 . 1 1 45 45 SER CB C 13 65.407 0.3 . 1 . . . A 45 SER CB . 25125 1 545 . 1 1 45 45 SER N N 15 108.656 0.3 . 1 . . . A 45 SER N . 25125 1 546 . 1 1 46 46 LYS H H 1 8.101 0.020 . 1 . . . A 46 LYS H . 25125 1 547 . 1 1 46 46 LYS HA H 1 4.586 0.020 . 1 . . . A 46 LYS HA . 25125 1 548 . 1 1 46 46 LYS HB2 H 1 1.995 0.020 . 2 . . . A 46 LYS HB2 . 25125 1 549 . 1 1 46 46 LYS HB3 H 1 1.891 0.020 . 2 . . . A 46 LYS HB3 . 25125 1 550 . 1 1 46 46 LYS HG2 H 1 1.509 0.020 . 2 . . . A 46 LYS HG2 . 25125 1 551 . 1 1 46 46 LYS HG3 H 1 1.450 0.020 . 2 . . . A 46 LYS HG3 . 25125 1 552 . 1 1 46 46 LYS HD2 H 1 1.804 0.020 . 1 . . . A 46 LYS HD2 . 25125 1 553 . 1 1 46 46 LYS HD3 H 1 1.804 0.020 . 1 . . . A 46 LYS HD3 . 25125 1 554 . 1 1 46 46 LYS HE2 H 1 3.029 0.020 . 1 . . . A 46 LYS HE2 . 25125 1 555 . 1 1 46 46 LYS HE3 H 1 3.029 0.020 . 1 . . . A 46 LYS HE3 . 25125 1 556 . 1 1 46 46 LYS C C 13 172.719 0.3 . 1 . . . A 46 LYS C . 25125 1 557 . 1 1 46 46 LYS CA C 13 55.512 0.3 . 1 . . . A 46 LYS CA . 25125 1 558 . 1 1 46 46 LYS CB C 13 36.225 0.3 . 1 . . . A 46 LYS CB . 25125 1 559 . 1 1 46 46 LYS CG C 13 24.510 0.3 . 1 . . . A 46 LYS CG . 25125 1 560 . 1 1 46 46 LYS CD C 13 29.098 0.3 . 1 . . . A 46 LYS CD . 25125 1 561 . 1 1 46 46 LYS CE C 13 42.038 0.3 . 1 . . . A 46 LYS CE . 25125 1 562 . 1 1 46 46 LYS N N 15 123.016 0.3 . 1 . . . A 46 LYS N . 25125 1 563 . 1 1 47 47 THR H H 1 7.677 0.020 . 1 . . . A 47 THR H . 25125 1 564 . 1 1 47 47 THR HA H 1 4.282 0.020 . 1 . . . A 47 THR HA . 25125 1 565 . 1 1 47 47 THR HB H 1 3.614 0.020 . 1 . . . A 47 THR HB . 25125 1 566 . 1 1 47 47 THR HG21 H 1 0.772 0.020 . 1 . . . A 47 THR HG21 . 25125 1 567 . 1 1 47 47 THR HG22 H 1 0.772 0.020 . 1 . . . A 47 THR HG22 . 25125 1 568 . 1 1 47 47 THR HG23 H 1 0.772 0.020 . 1 . . . A 47 THR HG23 . 25125 1 569 . 1 1 47 47 THR CA C 13 57.806 0.3 . 1 . . . A 47 THR CA . 25125 1 570 . 1 1 47 47 THR CB C 13 70.594 0.3 . 1 . . . A 47 THR CB . 25125 1 571 . 1 1 47 47 THR CG2 C 13 21.264 0.3 . 1 . . . A 47 THR CG2 . 25125 1 572 . 1 1 47 47 THR N N 15 111.780 0.3 . 1 . . . A 47 THR N . 25125 1 573 . 1 1 48 48 PRO HA H 1 3.905 0.020 . 1 . . . A 48 PRO HA . 25125 1 574 . 1 1 48 48 PRO HB2 H 1 -0.338 0.020 . 2 . . . A 48 PRO HB2 . 25125 1 575 . 1 1 48 48 PRO HB3 H 1 1.432 0.020 . 2 . . . A 48 PRO HB3 . 25125 1 576 . 1 1 48 48 PRO HG2 H 1 0.980 0.020 . 2 . . . A 48 PRO HG2 . 25125 1 577 . 1 1 48 48 PRO HG3 H 1 0.687 0.020 . 2 . . . A 48 PRO HG3 . 25125 1 578 . 1 1 48 48 PRO HD2 H 1 2.642 0.020 . 2 . . . A 48 PRO HD2 . 25125 1 579 . 1 1 48 48 PRO HD3 H 1 1.234 0.020 . 2 . . . A 48 PRO HD3 . 25125 1 580 . 1 1 48 48 PRO C C 13 172.966 0.3 . 1 . . . A 48 PRO C . 25125 1 581 . 1 1 48 48 PRO CA C 13 60.865 0.3 . 1 . . . A 48 PRO CA . 25125 1 582 . 1 1 48 48 PRO CB C 13 30.277 0.3 . 1 . . . A 48 PRO CB . 25125 1 583 . 1 1 48 48 PRO CG C 13 25.768 0.3 . 1 . . . A 48 PRO CG . 25125 1 584 . 1 1 48 48 PRO CD C 13 47.860 0.3 . 1 . . . A 48 PRO CD . 25125 1 585 . 1 1 49 49 ASP H H 1 8.502 0.020 . 1 . . . A 49 ASP H . 25125 1 586 . 1 1 49 49 ASP HA H 1 4.444 0.020 . 1 . . . A 49 ASP HA . 25125 1 587 . 1 1 49 49 ASP HB2 H 1 2.541 0.020 . 1 . . . A 49 ASP HB2 . 25125 1 588 . 1 1 49 49 ASP HB3 H 1 2.541 0.020 . 1 . . . A 49 ASP HB3 . 25125 1 589 . 1 1 49 49 ASP C C 13 175.634 0.3 . 1 . . . A 49 ASP C . 25125 1 590 . 1 1 49 49 ASP CA C 13 56.447 0.3 . 1 . . . A 49 ASP CA . 25125 1 591 . 1 1 49 49 ASP CB C 13 42.512 0.3 . 1 . . . A 49 ASP CB . 25125 1 592 . 1 1 49 49 ASP N N 15 115.035 0.3 . 1 . . . A 49 ASP N . 25125 1 593 . 1 1 50 50 VAL H H 1 7.173 0.020 . 1 . . . A 50 VAL H . 25125 1 594 . 1 1 50 50 VAL HA H 1 4.280 0.020 . 1 . . . A 50 VAL HA . 25125 1 595 . 1 1 50 50 VAL HB H 1 1.892 0.020 . 1 . . . A 50 VAL HB . 25125 1 596 . 1 1 50 50 VAL HG11 H 1 0.750 0.020 . 2 . . . A 50 VAL HG11 . 25125 1 597 . 1 1 50 50 VAL HG12 H 1 0.750 0.020 . 2 . . . A 50 VAL HG12 . 25125 1 598 . 1 1 50 50 VAL HG13 H 1 0.750 0.020 . 2 . . . A 50 VAL HG13 . 25125 1 599 . 1 1 50 50 VAL HG21 H 1 0.722 0.020 . 2 . . . A 50 VAL HG21 . 25125 1 600 . 1 1 50 50 VAL HG22 H 1 0.722 0.020 . 2 . . . A 50 VAL HG22 . 25125 1 601 . 1 1 50 50 VAL HG23 H 1 0.722 0.020 . 2 . . . A 50 VAL HG23 . 25125 1 602 . 1 1 50 50 VAL C C 13 171.454 0.3 . 1 . . . A 50 VAL C . 25125 1 603 . 1 1 50 50 VAL CA C 13 60.562 0.3 . 1 . . . A 50 VAL CA . 25125 1 604 . 1 1 50 50 VAL CB C 13 34.636 0.3 . 1 . . . A 50 VAL CB . 25125 1 605 . 1 1 50 50 VAL CG1 C 13 21.417 0.3 . 1 . . . A 50 VAL CG1 . 25125 1 606 . 1 1 50 50 VAL CG2 C 13 22.087 0.3 . 1 . . . A 50 VAL CG2 . 25125 1 607 . 1 1 50 50 VAL N N 15 112.082 0.3 . 1 . . . A 50 VAL N . 25125 1 608 . 1 1 51 51 LEU H H 1 8.059 0.020 . 1 . . . A 51 LEU H . 25125 1 609 . 1 1 51 51 LEU HA H 1 5.319 0.020 . 1 . . . A 51 LEU HA . 25125 1 610 . 1 1 51 51 LEU HB2 H 1 1.755 0.020 . 2 . . . A 51 LEU HB2 . 25125 1 611 . 1 1 51 51 LEU HB3 H 1 1.075 0.020 . 2 . . . A 51 LEU HB3 . 25125 1 612 . 1 1 51 51 LEU HG H 1 1.451 0.020 . 1 . . . A 51 LEU HG . 25125 1 613 . 1 1 51 51 LEU HD11 H 1 0.952 0.020 . 2 . . . A 51 LEU HD11 . 25125 1 614 . 1 1 51 51 LEU HD12 H 1 0.952 0.020 . 2 . . . A 51 LEU HD12 . 25125 1 615 . 1 1 51 51 LEU HD13 H 1 0.952 0.020 . 2 . . . A 51 LEU HD13 . 25125 1 616 . 1 1 51 51 LEU HD21 H 1 0.765 0.020 . 2 . . . A 51 LEU HD21 . 25125 1 617 . 1 1 51 51 LEU HD22 H 1 0.765 0.020 . 2 . . . A 51 LEU HD22 . 25125 1 618 . 1 1 51 51 LEU HD23 H 1 0.765 0.020 . 2 . . . A 51 LEU HD23 . 25125 1 619 . 1 1 51 51 LEU C C 13 173.104 0.3 . 1 . . . A 51 LEU C . 25125 1 620 . 1 1 51 51 LEU CA C 13 53.218 0.3 . 1 . . . A 51 LEU CA . 25125 1 621 . 1 1 51 51 LEU CB C 13 46.506 0.3 . 1 . . . A 51 LEU CB . 25125 1 622 . 1 1 51 51 LEU CG C 13 27.880 0.3 . 1 . . . A 51 LEU CG . 25125 1 623 . 1 1 51 51 LEU CD1 C 13 25.716 0.3 . 1 . . . A 51 LEU CD1 . 25125 1 624 . 1 1 51 51 LEU CD2 C 13 26.603 0.3 . 1 . . . A 51 LEU CD2 . 25125 1 625 . 1 1 51 51 LEU N N 15 128.247 0.3 . 1 . . . A 51 LEU N . 25125 1 626 . 1 1 52 52 LEU H H 1 9.242 0.020 . 1 . . . A 52 LEU H . 25125 1 627 . 1 1 52 52 LEU HA H 1 5.501 0.020 . 1 . . . A 52 LEU HA . 25125 1 628 . 1 1 52 52 LEU HB2 H 1 1.706 0.020 . 2 . . . A 52 LEU HB2 . 25125 1 629 . 1 1 52 52 LEU HB3 H 1 1.471 0.020 . 2 . . . A 52 LEU HB3 . 25125 1 630 . 1 1 52 52 LEU HG H 1 1.521 0.020 . 1 . . . A 52 LEU HG . 25125 1 631 . 1 1 52 52 LEU HD11 H 1 0.721 0.020 . 2 . . . A 52 LEU HD11 . 25125 1 632 . 1 1 52 52 LEU HD12 H 1 0.721 0.020 . 2 . . . A 52 LEU HD12 . 25125 1 633 . 1 1 52 52 LEU HD13 H 1 0.721 0.020 . 2 . . . A 52 LEU HD13 . 25125 1 634 . 1 1 52 52 LEU HD21 H 1 0.626 0.020 . 2 . . . A 52 LEU HD21 . 25125 1 635 . 1 1 52 52 LEU HD22 H 1 0.626 0.020 . 2 . . . A 52 LEU HD22 . 25125 1 636 . 1 1 52 52 LEU HD23 H 1 0.626 0.020 . 2 . . . A 52 LEU HD23 . 25125 1 637 . 1 1 52 52 LEU C C 13 175.414 0.3 . 1 . . . A 52 LEU C . 25125 1 638 . 1 1 52 52 LEU CA C 13 54.323 0.3 . 1 . . . A 52 LEU CA . 25125 1 639 . 1 1 52 52 LEU CB C 13 44.521 0.3 . 1 . . . A 52 LEU CB . 25125 1 640 . 1 1 52 52 LEU CG C 13 29.274 0.3 . 1 . . . A 52 LEU CG . 25125 1 641 . 1 1 52 52 LEU CD1 C 13 25.649 0.3 . 1 . . . A 52 LEU CD1 . 25125 1 642 . 1 1 52 52 LEU CD2 C 13 26.291 0.3 . 1 . . . A 52 LEU CD2 . 25125 1 643 . 1 1 52 52 LEU N N 15 128.407 0.3 . 1 . . . A 52 LEU N . 25125 1 644 . 1 1 53 53 SER H H 1 8.695 0.020 . 1 . . . A 53 SER H . 25125 1 645 . 1 1 53 53 SER HA H 1 5.595 0.020 . 1 . . . A 53 SER HA . 25125 1 646 . 1 1 53 53 SER HB2 H 1 3.321 0.020 . 2 . . . A 53 SER HB2 . 25125 1 647 . 1 1 53 53 SER HB3 H 1 3.257 0.020 . 2 . . . A 53 SER HB3 . 25125 1 648 . 1 1 53 53 SER HG H 1 3.968 0.020 . 1 . . . A 53 SER HG . 25125 1 649 . 1 1 53 53 SER C C 13 174.644 0.3 . 1 . . . A 53 SER C . 25125 1 650 . 1 1 53 53 SER CA C 13 55.954 0.3 . 1 . . . A 53 SER CA . 25125 1 651 . 1 1 53 53 SER CB C 13 66.473 0.3 . 1 . . . A 53 SER CB . 25125 1 652 . 1 1 53 53 SER N N 15 114.946 0.3 . 1 . . . A 53 SER N . 25125 1 653 . 1 1 54 54 ASP H H 1 7.886 0.020 . 1 . . . A 54 ASP H . 25125 1 654 . 1 1 54 54 ASP HA H 1 5.325 0.020 . 1 . . . A 54 ASP HA . 25125 1 655 . 1 1 54 54 ASP HB2 H 1 2.866 0.020 . 1 . . . A 54 ASP HB2 . 25125 1 656 . 1 1 54 54 ASP HB3 H 1 2.866 0.020 . 1 . . . A 54 ASP HB3 . 25125 1 657 . 1 1 54 54 ASP C C 13 176.816 0.3 . 1 . . . A 54 ASP C . 25125 1 658 . 1 1 54 54 ASP CA C 13 54.493 0.3 . 1 . . . A 54 ASP CA . 25125 1 659 . 1 1 54 54 ASP CB C 13 42.328 0.3 . 1 . . . A 54 ASP CB . 25125 1 660 . 1 1 54 54 ASP N N 15 128.341 0.3 . 1 . . . A 54 ASP N . 25125 1 661 . 1 1 55 55 ILE H H 1 8.722 0.020 . 1 . . . A 55 ILE H . 25125 1 662 . 1 1 55 55 ILE HA H 1 4.185 0.020 . 1 . . . A 55 ILE HA . 25125 1 663 . 1 1 55 55 ILE HB H 1 1.876 0.020 . 1 . . . A 55 ILE HB . 25125 1 664 . 1 1 55 55 ILE HG12 H 1 1.403 0.020 . 2 . . . A 55 ILE HG12 . 25125 1 665 . 1 1 55 55 ILE HG13 H 1 1.220 0.020 . 2 . . . A 55 ILE HG13 . 25125 1 666 . 1 1 55 55 ILE HG21 H 1 0.997 0.020 . 1 . . . A 55 ILE HG21 . 25125 1 667 . 1 1 55 55 ILE HG22 H 1 0.997 0.020 . 1 . . . A 55 ILE HG22 . 25125 1 668 . 1 1 55 55 ILE HG23 H 1 0.997 0.020 . 1 . . . A 55 ILE HG23 . 25125 1 669 . 1 1 55 55 ILE HD11 H 1 0.860 0.020 . 1 . . . A 55 ILE HD11 . 25125 1 670 . 1 1 55 55 ILE HD12 H 1 0.860 0.020 . 1 . . . A 55 ILE HD12 . 25125 1 671 . 1 1 55 55 ILE HD13 H 1 0.860 0.020 . 1 . . . A 55 ILE HD13 . 25125 1 672 . 1 1 55 55 ILE C C 13 175.084 0.3 . 1 . . . A 55 ILE C . 25125 1 673 . 1 1 55 55 ILE CA C 13 61.542 0.3 . 1 . . . A 55 ILE CA . 25125 1 674 . 1 1 55 55 ILE CB C 13 39.029 0.3 . 1 . . . A 55 ILE CB . 25125 1 675 . 1 1 55 55 ILE CG1 C 13 28.369 0.3 . 1 . . . A 55 ILE CG1 . 25125 1 676 . 1 1 55 55 ILE CG2 C 13 18.352 0.3 . 1 . . . A 55 ILE CG2 . 25125 1 677 . 1 1 55 55 ILE CD1 C 13 14.406 0.3 . 1 . . . A 55 ILE CD1 . 25125 1 678 . 1 1 55 55 ILE N N 15 121.229 0.3 . 1 . . . A 55 ILE N . 25125 1 679 . 1 1 56 56 ARG H H 1 8.499 0.020 . 1 . . . A 56 ARG H . 25125 1 680 . 1 1 56 56 ARG HA H 1 4.505 0.020 . 1 . . . A 56 ARG HA . 25125 1 681 . 1 1 56 56 ARG HB2 H 1 1.893 0.020 . 2 . . . A 56 ARG HB2 . 25125 1 682 . 1 1 56 56 ARG HB3 H 1 1.785 0.020 . 2 . . . A 56 ARG HB3 . 25125 1 683 . 1 1 56 56 ARG HG2 H 1 1.657 0.020 . 2 . . . A 56 ARG HG2 . 25125 1 684 . 1 1 56 56 ARG HG3 H 1 1.547 0.020 . 2 . . . A 56 ARG HG3 . 25125 1 685 . 1 1 56 56 ARG HD2 H 1 3.244 0.020 . 2 . . . A 56 ARG HD2 . 25125 1 686 . 1 1 56 56 ARG HD3 H 1 3.197 0.020 . 2 . . . A 56 ARG HD3 . 25125 1 687 . 1 1 56 56 ARG C C 13 175.661 0.3 . 1 . . . A 56 ARG C . 25125 1 688 . 1 1 56 56 ARG CA C 13 55.441 0.3 . 1 . . . A 56 ARG CA . 25125 1 689 . 1 1 56 56 ARG CB C 13 30.362 0.3 . 1 . . . A 56 ARG CB . 25125 1 690 . 1 1 56 56 ARG CG C 13 27.248 0.3 . 1 . . . A 56 ARG CG . 25125 1 691 . 1 1 56 56 ARG CD C 13 43.139 0.3 . 1 . . . A 56 ARG CD . 25125 1 692 . 1 1 56 56 ARG N N 15 124.188 0.3 . 1 . . . A 56 ARG N . 25125 1 693 . 1 1 57 57 MET H H 1 7.956 0.020 . 1 . . . A 57 MET H . 25125 1 694 . 1 1 57 57 MET HA H 1 4.821 0.020 . 1 . . . A 57 MET HA . 25125 1 695 . 1 1 57 57 MET HB2 H 1 1.919 0.020 . 1 . . . A 57 MET HB2 . 25125 1 696 . 1 1 57 57 MET HB3 H 1 1.919 0.020 . 1 . . . A 57 MET HB3 . 25125 1 697 . 1 1 57 57 MET HG2 H 1 2.566 0.020 . 2 . . . A 57 MET HG2 . 25125 1 698 . 1 1 57 57 MET HG3 H 1 2.420 0.020 . 2 . . . A 57 MET HG3 . 25125 1 699 . 1 1 57 57 MET HE1 H 1 1.931 0.020 . 1 . . . A 57 MET HE1 . 25125 1 700 . 1 1 57 57 MET HE2 H 1 1.931 0.020 . 1 . . . A 57 MET HE2 . 25125 1 701 . 1 1 57 57 MET HE3 H 1 1.931 0.020 . 1 . . . A 57 MET HE3 . 25125 1 702 . 1 1 57 57 MET CA C 13 53.132 0.3 . 1 . . . A 57 MET CA . 25125 1 703 . 1 1 57 57 MET CB C 13 33.445 0.3 . 1 . . . A 57 MET CB . 25125 1 704 . 1 1 57 57 MET CG C 13 32.198 0.3 . 1 . . . A 57 MET CG . 25125 1 705 . 1 1 57 57 MET CE C 13 17.084 0.3 . 1 . . . A 57 MET CE . 25125 1 706 . 1 1 57 57 MET N N 15 122.581 0.3 . 1 . . . A 57 MET N . 25125 1 707 . 1 1 58 58 PRO HA H 1 4.393 0.020 . 1 . . . A 58 PRO HA . 25125 1 708 . 1 1 58 58 PRO HB2 H 1 2.288 0.020 . 1 . . . A 58 PRO HB2 . 25125 1 709 . 1 1 58 58 PRO HB3 H 1 2.288 0.020 . 1 . . . A 58 PRO HB3 . 25125 1 710 . 1 1 58 58 PRO HG2 H 1 2.148 0.020 . 2 . . . A 58 PRO HG2 . 25125 1 711 . 1 1 58 58 PRO HG3 H 1 2.016 0.020 . 2 . . . A 58 PRO HG3 . 25125 1 712 . 1 1 58 58 PRO HD2 H 1 3.853 0.020 . 2 . . . A 58 PRO HD2 . 25125 1 713 . 1 1 58 58 PRO HD3 H 1 3.764 0.020 . 2 . . . A 58 PRO HD3 . 25125 1 714 . 1 1 58 58 PRO C C 13 177.806 0.3 . 1 . . . A 58 PRO C . 25125 1 715 . 1 1 58 58 PRO CA C 13 63.499 0.3 . 1 . . . A 58 PRO CA . 25125 1 716 . 1 1 58 58 PRO CB C 13 31.807 0.3 . 1 . . . A 58 PRO CB . 25125 1 717 . 1 1 58 58 PRO CG C 13 27.678 0.3 . 1 . . . A 58 PRO CG . 25125 1 718 . 1 1 58 58 PRO CD C 13 50.801 0.3 . 1 . . . A 58 PRO CD . 25125 1 719 . 1 1 59 59 GLY H H 1 8.653 0.020 . 1 . . . A 59 GLY H . 25125 1 720 . 1 1 59 59 GLY HA2 H 1 4.046 0.020 . 2 . . . A 59 GLY HA2 . 25125 1 721 . 1 1 59 59 GLY HA3 H 1 3.754 0.020 . 2 . . . A 59 GLY HA3 . 25125 1 722 . 1 1 59 59 GLY C C 13 173.626 0.3 . 1 . . . A 59 GLY C . 25125 1 723 . 1 1 59 59 GLY CA C 13 45.590 0.3 . 1 . . . A 59 GLY CA . 25125 1 724 . 1 1 59 59 GLY N N 15 111.082 0.3 . 1 . . . A 59 GLY N . 25125 1 725 . 1 1 60 60 MET H H 1 7.968 0.020 . 1 . . . A 60 MET H . 25125 1 726 . 1 1 60 60 MET HA H 1 4.525 0.020 . 1 . . . A 60 MET HA . 25125 1 727 . 1 1 60 60 MET HB2 H 1 1.974 0.020 . 1 . . . A 60 MET HB2 . 25125 1 728 . 1 1 60 60 MET HB3 H 1 1.974 0.020 . 1 . . . A 60 MET HB3 . 25125 1 729 . 1 1 60 60 MET HG2 H 1 2.378 0.020 . 2 . . . A 60 MET HG2 . 25125 1 730 . 1 1 60 60 MET HG3 H 1 2.319 0.020 . 2 . . . A 60 MET HG3 . 25125 1 731 . 1 1 60 60 MET HE1 H 1 2.081 0.020 . 1 . . . A 60 MET HE1 . 25125 1 732 . 1 1 60 60 MET HE2 H 1 2.081 0.020 . 1 . . . A 60 MET HE2 . 25125 1 733 . 1 1 60 60 MET HE3 H 1 2.081 0.020 . 1 . . . A 60 MET HE3 . 25125 1 734 . 1 1 60 60 MET C C 13 173.956 0.3 . 1 . . . A 60 MET C . 25125 1 735 . 1 1 60 60 MET CA C 13 55.047 0.3 . 1 . . . A 60 MET CA . 25125 1 736 . 1 1 60 60 MET CB C 13 34.506 0.3 . 1 . . . A 60 MET CB . 25125 1 737 . 1 1 60 60 MET CG C 13 30.977 0.3 . 1 . . . A 60 MET CG . 25125 1 738 . 1 1 60 60 MET CE C 13 16.761 0.3 . 1 . . . A 60 MET CE . 25125 1 739 . 1 1 60 60 MET N N 15 120.052 0.3 . 1 . . . A 60 MET N . 25125 1 740 . 1 1 61 61 ASP H H 1 8.379 0.020 . 1 . . . A 61 ASP H . 25125 1 741 . 1 1 61 61 ASP HA H 1 4.704 0.020 . 1 . . . A 61 ASP HA . 25125 1 742 . 1 1 61 61 ASP HB2 H 1 2.860 0.020 . 2 . . . A 61 ASP HB2 . 25125 1 743 . 1 1 61 61 ASP HB3 H 1 2.783 0.020 . 2 . . . A 61 ASP HB3 . 25125 1 744 . 1 1 61 61 ASP C C 13 176.761 0.3 . 1 . . . A 61 ASP C . 25125 1 745 . 1 1 61 61 ASP CA C 13 53.729 0.3 . 1 . . . A 61 ASP CA . 25125 1 746 . 1 1 61 61 ASP CB C 13 41.069 0.3 . 1 . . . A 61 ASP CB . 25125 1 747 . 1 1 61 61 ASP N N 15 121.306 0.3 . 1 . . . A 61 ASP N . 25125 1 748 . 1 1 62 62 GLY H H 1 8.707 0.020 . 1 . . . A 62 GLY H . 25125 1 749 . 1 1 62 62 GLY HA2 H 1 4.078 0.020 . 2 . . . A 62 GLY HA2 . 25125 1 750 . 1 1 62 62 GLY HA3 H 1 3.794 0.020 . 2 . . . A 62 GLY HA3 . 25125 1 751 . 1 1 62 62 GLY C C 13 175.194 0.3 . 1 . . . A 62 GLY C . 25125 1 752 . 1 1 62 62 GLY CA C 13 47.101 0.3 . 1 . . . A 62 GLY CA . 25125 1 753 . 1 1 62 62 GLY N N 15 110.874 0.3 . 1 . . . A 62 GLY N . 25125 1 754 . 1 1 63 63 LEU H H 1 8.045 0.020 . 1 . . . A 63 LEU H . 25125 1 755 . 1 1 63 63 LEU HA H 1 4.177 0.020 . 1 . . . A 63 LEU HA . 25125 1 756 . 1 1 63 63 LEU HB2 H 1 1.735 0.020 . 2 . . . A 63 LEU HB2 . 25125 1 757 . 1 1 63 63 LEU HB3 H 1 1.683 0.020 . 2 . . . A 63 LEU HB3 . 25125 1 758 . 1 1 63 63 LEU HG H 1 1.623 0.020 . 1 . . . A 63 LEU HG . 25125 1 759 . 1 1 63 63 LEU HD11 H 1 0.885 0.020 . 2 . . . A 63 LEU HD11 . 25125 1 760 . 1 1 63 63 LEU HD12 H 1 0.885 0.020 . 2 . . . A 63 LEU HD12 . 25125 1 761 . 1 1 63 63 LEU HD13 H 1 0.885 0.020 . 2 . . . A 63 LEU HD13 . 25125 1 762 . 1 1 63 63 LEU HD21 H 1 0.837 0.020 . 2 . . . A 63 LEU HD21 . 25125 1 763 . 1 1 63 63 LEU HD22 H 1 0.837 0.020 . 2 . . . A 63 LEU HD22 . 25125 1 764 . 1 1 63 63 LEU HD23 H 1 0.837 0.020 . 2 . . . A 63 LEU HD23 . 25125 1 765 . 1 1 63 63 LEU C C 13 178.356 0.3 . 1 . . . A 63 LEU C . 25125 1 766 . 1 1 63 63 LEU CA C 13 56.878 0.3 . 1 . . . A 63 LEU CA . 25125 1 767 . 1 1 63 63 LEU CB C 13 41.238 0.3 . 1 . . . A 63 LEU CB . 25125 1 768 . 1 1 63 63 LEU CG C 13 27.130 0.3 . 1 . . . A 63 LEU CG . 25125 1 769 . 1 1 63 63 LEU CD1 C 13 24.408 0.3 . 1 . . . A 63 LEU CD1 . 25125 1 770 . 1 1 63 63 LEU CD2 C 13 24.007 0.3 . 1 . . . A 63 LEU CD2 . 25125 1 771 . 1 1 63 63 LEU N N 15 121.299 0.3 . 1 . . . A 63 LEU N . 25125 1 772 . 1 1 64 64 ALA H H 1 7.859 0.020 . 1 . . . A 64 ALA H . 25125 1 773 . 1 1 64 64 ALA HA H 1 4.062 0.020 . 1 . . . A 64 ALA HA . 25125 1 774 . 1 1 64 64 ALA HB1 H 1 1.470 0.020 . 1 . . . A 64 ALA HB1 . 25125 1 775 . 1 1 64 64 ALA HB2 H 1 1.470 0.020 . 1 . . . A 64 ALA HB2 . 25125 1 776 . 1 1 64 64 ALA HB3 H 1 1.470 0.020 . 1 . . . A 64 ALA HB3 . 25125 1 777 . 1 1 64 64 ALA C C 13 180.556 0.3 . 1 . . . A 64 ALA C . 25125 1 778 . 1 1 64 64 ALA CA C 13 54.615 0.3 . 1 . . . A 64 ALA CA . 25125 1 779 . 1 1 64 64 ALA CB C 13 18.000 0.3 . 1 . . . A 64 ALA CB . 25125 1 780 . 1 1 64 64 ALA N N 15 122.741 0.3 . 1 . . . A 64 ALA N . 25125 1 781 . 1 1 65 65 LEU H H 1 8.022 0.020 . 1 . . . A 65 LEU H . 25125 1 782 . 1 1 65 65 LEU HA H 1 4.062 0.020 . 1 . . . A 65 LEU HA . 25125 1 783 . 1 1 65 65 LEU HB2 H 1 1.845 0.020 . 2 . . . A 65 LEU HB2 . 25125 1 784 . 1 1 65 65 LEU HB3 H 1 1.508 0.020 . 2 . . . A 65 LEU HB3 . 25125 1 785 . 1 1 65 65 LEU HG H 1 1.499 0.020 . 1 . . . A 65 LEU HG . 25125 1 786 . 1 1 65 65 LEU HD11 H 1 0.830 0.020 . 2 . . . A 65 LEU HD11 . 25125 1 787 . 1 1 65 65 LEU HD12 H 1 0.830 0.020 . 2 . . . A 65 LEU HD12 . 25125 1 788 . 1 1 65 65 LEU HD13 H 1 0.830 0.020 . 2 . . . A 65 LEU HD13 . 25125 1 789 . 1 1 65 65 LEU HD21 H 1 0.851 0.020 . 2 . . . A 65 LEU HD21 . 25125 1 790 . 1 1 65 65 LEU HD22 H 1 0.851 0.020 . 2 . . . A 65 LEU HD22 . 25125 1 791 . 1 1 65 65 LEU HD23 H 1 0.851 0.020 . 2 . . . A 65 LEU HD23 . 25125 1 792 . 1 1 65 65 LEU C C 13 178.191 0.3 . 1 . . . A 65 LEU C . 25125 1 793 . 1 1 65 65 LEU CA C 13 58.019 0.3 . 1 . . . A 65 LEU CA . 25125 1 794 . 1 1 65 65 LEU CB C 13 41.238 0.3 . 1 . . . A 65 LEU CB . 25125 1 795 . 1 1 65 65 LEU CG C 13 27.129 0.3 . 1 . . . A 65 LEU CG . 25125 1 796 . 1 1 65 65 LEU CD1 C 13 25.532 0.3 . 1 . . . A 65 LEU CD1 . 25125 1 797 . 1 1 65 65 LEU CD2 C 13 23.878 0.3 . 1 . . . A 65 LEU CD2 . 25125 1 798 . 1 1 65 65 LEU N N 15 120.287 0.3 . 1 . . . A 65 LEU N . 25125 1 799 . 1 1 66 66 LEU H H 1 8.101 0.020 . 1 . . . A 66 LEU H . 25125 1 800 . 1 1 66 66 LEU HA H 1 3.858 0.020 . 1 . . . A 66 LEU HA . 25125 1 801 . 1 1 66 66 LEU HB2 H 1 1.682 0.020 . 1 . . . A 66 LEU HB2 . 25125 1 802 . 1 1 66 66 LEU HB3 H 1 1.682 0.020 . 1 . . . A 66 LEU HB3 . 25125 1 803 . 1 1 66 66 LEU HG H 1 1.677 0.020 . 1 . . . A 66 LEU HG . 25125 1 804 . 1 1 66 66 LEU HD11 H 1 0.680 0.020 . 2 . . . A 66 LEU HD11 . 25125 1 805 . 1 1 66 66 LEU HD12 H 1 0.680 0.020 . 2 . . . A 66 LEU HD12 . 25125 1 806 . 1 1 66 66 LEU HD13 H 1 0.680 0.020 . 2 . . . A 66 LEU HD13 . 25125 1 807 . 1 1 66 66 LEU HD21 H 1 0.681 0.020 . 2 . . . A 66 LEU HD21 . 25125 1 808 . 1 1 66 66 LEU HD22 H 1 0.681 0.020 . 2 . . . A 66 LEU HD22 . 25125 1 809 . 1 1 66 66 LEU HD23 H 1 0.681 0.020 . 2 . . . A 66 LEU HD23 . 25125 1 810 . 1 1 66 66 LEU C C 13 178.631 0.3 . 1 . . . A 66 LEU C . 25125 1 811 . 1 1 66 66 LEU CA C 13 58.346 0.3 . 1 . . . A 66 LEU CA . 25125 1 812 . 1 1 66 66 LEU CB C 13 41.238 0.3 . 1 . . . A 66 LEU CB . 25125 1 813 . 1 1 66 66 LEU CG C 13 26.802 0.3 . 1 . . . A 66 LEU CG . 25125 1 814 . 1 1 66 66 LEU CD1 C 13 24.695 0.3 . 1 . . . A 66 LEU CD1 . 25125 1 815 . 1 1 66 66 LEU CD2 C 13 24.574 0.3 . 1 . . . A 66 LEU CD2 . 25125 1 816 . 1 1 66 66 LEU N N 15 118.738 0.3 . 1 . . . A 66 LEU N . 25125 1 817 . 1 1 67 67 LYS H H 1 8.010 0.020 . 1 . . . A 67 LYS H . 25125 1 818 . 1 1 67 67 LYS HA H 1 3.982 0.020 . 1 . . . A 67 LYS HA . 25125 1 819 . 1 1 67 67 LYS HB2 H 1 1.936 0.020 . 2 . . . A 67 LYS HB2 . 25125 1 820 . 1 1 67 67 LYS HB3 H 1 1.896 0.020 . 2 . . . A 67 LYS HB3 . 25125 1 821 . 1 1 67 67 LYS HG2 H 1 1.630 0.020 . 2 . . . A 67 LYS HG2 . 25125 1 822 . 1 1 67 67 LYS HG3 H 1 1.391 0.020 . 2 . . . A 67 LYS HG3 . 25125 1 823 . 1 1 67 67 LYS HD2 H 1 1.653 0.020 . 1 . . . A 67 LYS HD2 . 25125 1 824 . 1 1 67 67 LYS HD3 H 1 1.653 0.020 . 1 . . . A 67 LYS HD3 . 25125 1 825 . 1 1 67 67 LYS HE2 H 1 2.904 0.020 . 2 . . . A 67 LYS HE2 . 25125 1 826 . 1 1 67 67 LYS HE3 H 1 2.879 0.020 . 2 . . . A 67 LYS HE3 . 25125 1 827 . 1 1 67 67 LYS C C 13 179.263 0.3 . 1 . . . A 67 LYS C . 25125 1 828 . 1 1 67 67 LYS CA C 13 59.797 0.3 . 1 . . . A 67 LYS CA . 25125 1 829 . 1 1 67 67 LYS CB C 13 32.207 0.3 . 1 . . . A 67 LYS CB . 25125 1 830 . 1 1 67 67 LYS CG C 13 25.503 0.3 . 1 . . . A 67 LYS CG . 25125 1 831 . 1 1 67 67 LYS CD C 13 29.374 0.3 . 1 . . . A 67 LYS CD . 25125 1 832 . 1 1 67 67 LYS CE C 13 41.908 0.3 . 1 . . . A 67 LYS CE . 25125 1 833 . 1 1 67 67 LYS N N 15 117.842 0.3 . 1 . . . A 67 LYS N . 25125 1 834 . 1 1 68 68 GLN H H 1 7.809 0.020 . 1 . . . A 68 GLN H . 25125 1 835 . 1 1 68 68 GLN HA H 1 4.056 0.020 . 1 . . . A 68 GLN HA . 25125 1 836 . 1 1 68 68 GLN HB2 H 1 2.260 0.020 . 2 . . . A 68 GLN HB2 . 25125 1 837 . 1 1 68 68 GLN HB3 H 1 2.120 0.020 . 2 . . . A 68 GLN HB3 . 25125 1 838 . 1 1 68 68 GLN HG2 H 1 2.452 0.020 . 2 . . . A 68 GLN HG2 . 25125 1 839 . 1 1 68 68 GLN HG3 H 1 2.339 0.020 . 2 . . . A 68 GLN HG3 . 25125 1 840 . 1 1 68 68 GLN HE21 H 1 6.697 0.020 . 1 . . . A 68 GLN HE21 . 25125 1 841 . 1 1 68 68 GLN HE22 H 1 7.152 0.020 . 1 . . . A 68 GLN HE22 . 25125 1 842 . 1 1 68 68 GLN C C 13 179.071 0.3 . 1 . . . A 68 GLN C . 25125 1 843 . 1 1 68 68 GLN CA C 13 59.073 0.3 . 1 . . . A 68 GLN CA . 25125 1 844 . 1 1 68 68 GLN CB C 13 28.611 0.3 . 1 . . . A 68 GLN CB . 25125 1 845 . 1 1 68 68 GLN CG C 13 34.229 0.3 . 1 . . . A 68 GLN CG . 25125 1 846 . 1 1 68 68 GLN N N 15 118.875 0.3 . 1 . . . A 68 GLN N . 25125 1 847 . 1 1 68 68 GLN NE2 N 15 110.287 0.3 . 1 . . . A 68 GLN NE2 . 25125 1 848 . 1 1 69 69 ILE H H 1 8.481 0.020 . 1 . . . A 69 ILE H . 25125 1 849 . 1 1 69 69 ILE HA H 1 3.530 0.020 . 1 . . . A 69 ILE HA . 25125 1 850 . 1 1 69 69 ILE HB H 1 1.935 0.020 . 1 . . . A 69 ILE HB . 25125 1 851 . 1 1 69 69 ILE HG12 H 1 1.773 0.020 . 2 . . . A 69 ILE HG12 . 25125 1 852 . 1 1 69 69 ILE HG13 H 1 0.889 0.020 . 2 . . . A 69 ILE HG13 . 25125 1 853 . 1 1 69 69 ILE HG21 H 1 0.801 0.020 . 1 . . . A 69 ILE HG21 . 25125 1 854 . 1 1 69 69 ILE HG22 H 1 0.801 0.020 . 1 . . . A 69 ILE HG22 . 25125 1 855 . 1 1 69 69 ILE HG23 H 1 0.801 0.020 . 1 . . . A 69 ILE HG23 . 25125 1 856 . 1 1 69 69 ILE HD11 H 1 0.640 0.020 . 1 . . . A 69 ILE HD11 . 25125 1 857 . 1 1 69 69 ILE HD12 H 1 0.640 0.020 . 1 . . . A 69 ILE HD12 . 25125 1 858 . 1 1 69 69 ILE HD13 H 1 0.640 0.020 . 1 . . . A 69 ILE HD13 . 25125 1 859 . 1 1 69 69 ILE C C 13 177.421 0.3 . 1 . . . A 69 ILE C . 25125 1 860 . 1 1 69 69 ILE CA C 13 65.878 0.3 . 1 . . . A 69 ILE CA . 25125 1 861 . 1 1 69 69 ILE CB C 13 37.584 0.3 . 1 . . . A 69 ILE CB . 25125 1 862 . 1 1 69 69 ILE CG1 C 13 29.200 0.3 . 1 . . . A 69 ILE CG1 . 25125 1 863 . 1 1 69 69 ILE CG2 C 13 17.090 0.3 . 1 . . . A 69 ILE CG2 . 25125 1 864 . 1 1 69 69 ILE CD1 C 13 13.548 0.3 . 1 . . . A 69 ILE CD1 . 25125 1 865 . 1 1 69 69 ILE N N 15 120.377 0.3 . 1 . . . A 69 ILE N . 25125 1 866 . 1 1 70 70 LYS H H 1 8.220 0.020 . 1 . . . A 70 LYS H . 25125 1 867 . 1 1 70 70 LYS HA H 1 3.960 0.020 . 1 . . . A 70 LYS HA . 25125 1 868 . 1 1 70 70 LYS HB2 H 1 1.954 0.020 . 2 . . . A 70 LYS HB2 . 25125 1 869 . 1 1 70 70 LYS HB3 H 1 1.839 0.020 . 2 . . . A 70 LYS HB3 . 25125 1 870 . 1 1 70 70 LYS HG2 H 1 1.560 0.020 . 1 . . . A 70 LYS HG2 . 25125 1 871 . 1 1 70 70 LYS HG3 H 1 1.560 0.020 . 1 . . . A 70 LYS HG3 . 25125 1 872 . 1 1 70 70 LYS HD2 H 1 1.797 0.020 . 2 . . . A 70 LYS HD2 . 25125 1 873 . 1 1 70 70 LYS HD3 H 1 1.731 0.020 . 2 . . . A 70 LYS HD3 . 25125 1 874 . 1 1 70 70 LYS HE2 H 1 2.977 0.020 . 1 . . . A 70 LYS HE2 . 25125 1 875 . 1 1 70 70 LYS HE3 H 1 2.977 0.020 . 1 . . . A 70 LYS HE3 . 25125 1 876 . 1 1 70 70 LYS C C 13 178.053 0.3 . 1 . . . A 70 LYS C . 25125 1 877 . 1 1 70 70 LYS CA C 13 57.088 0.3 . 1 . . . A 70 LYS CA . 25125 1 878 . 1 1 70 70 LYS CB C 13 31.212 0.3 . 1 . . . A 70 LYS CB . 25125 1 879 . 1 1 70 70 LYS CG C 13 24.160 0.3 . 1 . . . A 70 LYS CG . 25125 1 880 . 1 1 70 70 LYS CD C 13 27.829 0.3 . 1 . . . A 70 LYS CD . 25125 1 881 . 1 1 70 70 LYS CE C 13 41.988 0.3 . 1 . . . A 70 LYS CE . 25125 1 882 . 1 1 70 70 LYS N N 15 117.873 0.3 . 1 . . . A 70 LYS N . 25125 1 883 . 1 1 71 71 GLN H H 1 7.601 0.020 . 1 . . . A 71 GLN H . 25125 1 884 . 1 1 71 71 GLN HA H 1 3.992 0.020 . 1 . . . A 71 GLN HA . 25125 1 885 . 1 1 71 71 GLN HB2 H 1 2.160 0.020 . 2 . . . A 71 GLN HB2 . 25125 1 886 . 1 1 71 71 GLN HB3 H 1 2.073 0.020 . 2 . . . A 71 GLN HB3 . 25125 1 887 . 1 1 71 71 GLN HG2 H 1 2.494 0.020 . 2 . . . A 71 GLN HG2 . 25125 1 888 . 1 1 71 71 GLN HG3 H 1 2.339 0.020 . 2 . . . A 71 GLN HG3 . 25125 1 889 . 1 1 71 71 GLN HE21 H 1 6.724 0.020 . 1 . . . A 71 GLN HE21 . 25125 1 890 . 1 1 71 71 GLN HE22 H 1 7.361 0.020 . 1 . . . A 71 GLN HE22 . 25125 1 891 . 1 1 71 71 GLN C C 13 177.366 0.3 . 1 . . . A 71 GLN C . 25125 1 892 . 1 1 71 71 GLN CA C 13 58.190 0.3 . 1 . . . A 71 GLN CA . 25125 1 893 . 1 1 71 71 GLN CB C 13 28.665 0.3 . 1 . . . A 71 GLN CB . 25125 1 894 . 1 1 71 71 GLN CG C 13 34.053 0.3 . 1 . . . A 71 GLN CG . 25125 1 895 . 1 1 71 71 GLN N N 15 116.315 0.3 . 1 . . . A 71 GLN N . 25125 1 896 . 1 1 71 71 GLN NE2 N 15 111.749 0.3 . 1 . . . A 71 GLN NE2 . 25125 1 897 . 1 1 72 72 ARG H H 1 7.301 0.020 . 1 . . . A 72 ARG H . 25125 1 898 . 1 1 72 72 ARG HA H 1 4.030 0.020 . 1 . . . A 72 ARG HA . 25125 1 899 . 1 1 72 72 ARG HB2 H 1 1.617 0.020 . 2 . . . A 72 ARG HB2 . 25125 1 900 . 1 1 72 72 ARG HB3 H 1 1.509 0.020 . 2 . . . A 72 ARG HB3 . 25125 1 901 . 1 1 72 72 ARG HG2 H 1 1.539 0.020 . 2 . . . A 72 ARG HG2 . 25125 1 902 . 1 1 72 72 ARG HG3 H 1 1.417 0.020 . 2 . . . A 72 ARG HG3 . 25125 1 903 . 1 1 72 72 ARG HD2 H 1 3.080 0.020 . 2 . . . A 72 ARG HD2 . 25125 1 904 . 1 1 72 72 ARG HD3 H 1 3.027 0.020 . 2 . . . A 72 ARG HD3 . 25125 1 905 . 1 1 72 72 ARG C C 13 175.826 0.3 . 1 . . . A 72 ARG C . 25125 1 906 . 1 1 72 72 ARG CA C 13 57.222 0.3 . 1 . . . A 72 ARG CA . 25125 1 907 . 1 1 72 72 ARG CB C 13 31.802 0.3 . 1 . . . A 72 ARG CB . 25125 1 908 . 1 1 72 72 ARG CG C 13 27.154 0.3 . 1 . . . A 72 ARG CG . 25125 1 909 . 1 1 72 72 ARG CD C 13 43.298 0.3 . 1 . . . A 72 ARG CD . 25125 1 910 . 1 1 72 72 ARG N N 15 116.530 0.3 . 1 . . . A 72 ARG N . 25125 1 911 . 1 1 73 73 HIS H H 1 8.331 0.020 . 1 . . . A 73 HIS H . 25125 1 912 . 1 1 73 73 HIS HA H 1 4.960 0.020 . 1 . . . A 73 HIS HA . 25125 1 913 . 1 1 73 73 HIS HB2 H 1 2.912 0.020 . 1 . . . A 73 HIS HB2 . 25125 1 914 . 1 1 73 73 HIS HB3 H 1 2.912 0.020 . 1 . . . A 73 HIS HB3 . 25125 1 915 . 1 1 73 73 HIS HD2 H 1 6.650 0.020 . 1 . . . A 73 HIS HD2 . 25125 1 916 . 1 1 73 73 HIS HE1 H 1 7.704 0.020 . 1 . . . A 73 HIS HE1 . 25125 1 917 . 1 1 73 73 HIS CA C 13 53.218 0.3 . 1 . . . A 73 HIS CA . 25125 1 918 . 1 1 73 73 HIS CB C 13 30.562 0.3 . 1 . . . A 73 HIS CB . 25125 1 919 . 1 1 73 73 HIS CD2 C 13 121.530 0.3 . 1 . . . A 73 HIS CD2 . 25125 1 920 . 1 1 73 73 HIS CE1 C 13 139.081 0.3 . 1 . . . A 73 HIS CE1 . 25125 1 921 . 1 1 73 73 HIS N N 15 116.755 0.3 . 1 . . . A 73 HIS N . 25125 1 922 . 1 1 74 74 PRO HA H 1 4.499 0.020 . 1 . . . A 74 PRO HA . 25125 1 923 . 1 1 74 74 PRO HB2 H 1 1.910 0.020 . 2 . . . A 74 PRO HB2 . 25125 1 924 . 1 1 74 74 PRO HB3 H 1 2.423 0.020 . 2 . . . A 74 PRO HB3 . 25125 1 925 . 1 1 74 74 PRO HG2 H 1 2.014 0.020 . 2 . . . A 74 PRO HG2 . 25125 1 926 . 1 1 74 74 PRO HG3 H 1 1.914 0.020 . 2 . . . A 74 PRO HG3 . 25125 1 927 . 1 1 74 74 PRO HD2 H 1 3.596 0.020 . 2 . . . A 74 PRO HD2 . 25125 1 928 . 1 1 74 74 PRO HD3 H 1 3.243 0.020 . 2 . . . A 74 PRO HD3 . 25125 1 929 . 1 1 74 74 PRO C C 13 178.466 0.3 . 1 . . . A 74 PRO C . 25125 1 930 . 1 1 74 74 PRO CA C 13 65.113 0.3 . 1 . . . A 74 PRO CA . 25125 1 931 . 1 1 74 74 PRO CB C 13 32.095 0.3 . 1 . . . A 74 PRO CB . 25125 1 932 . 1 1 74 74 PRO CG C 13 27.152 0.3 . 1 . . . A 74 PRO CG . 25125 1 933 . 1 1 74 74 PRO CD C 13 50.028 0.3 . 1 . . . A 74 PRO CD . 25125 1 934 . 1 1 75 75 MET H H 1 8.623 0.020 . 1 . . . A 75 MET H . 25125 1 935 . 1 1 75 75 MET HA H 1 4.567 0.020 . 1 . . . A 75 MET HA . 25125 1 936 . 1 1 75 75 MET HB2 H 1 2.224 0.020 . 2 . . . A 75 MET HB2 . 25125 1 937 . 1 1 75 75 MET HB3 H 1 1.962 0.020 . 2 . . . A 75 MET HB3 . 25125 1 938 . 1 1 75 75 MET HG2 H 1 2.669 0.020 . 2 . . . A 75 MET HG2 . 25125 1 939 . 1 1 75 75 MET HG3 H 1 2.433 0.020 . 2 . . . A 75 MET HG3 . 25125 1 940 . 1 1 75 75 MET HE1 H 1 1.947 0.020 . 1 . . . A 75 MET HE1 . 25125 1 941 . 1 1 75 75 MET HE2 H 1 1.947 0.020 . 1 . . . A 75 MET HE2 . 25125 1 942 . 1 1 75 75 MET HE3 H 1 1.947 0.020 . 1 . . . A 75 MET HE3 . 25125 1 943 . 1 1 75 75 MET C C 13 176.046 0.3 . 1 . . . A 75 MET C . 25125 1 944 . 1 1 75 75 MET CA C 13 54.266 0.3 . 1 . . . A 75 MET CA . 25125 1 945 . 1 1 75 75 MET CB C 13 31.288 0.3 . 1 . . . A 75 MET CB . 25125 1 946 . 1 1 75 75 MET CG C 13 32.586 0.3 . 1 . . . A 75 MET CG . 25125 1 947 . 1 1 75 75 MET CE C 13 16.608 0.3 . 1 . . . A 75 MET CE . 25125 1 948 . 1 1 75 75 MET N N 15 114.814 0.3 . 1 . . . A 75 MET N . 25125 1 949 . 1 1 76 76 LEU H H 1 7.337 0.020 . 1 . . . A 76 LEU H . 25125 1 950 . 1 1 76 76 LEU HA H 1 4.305 0.020 . 1 . . . A 76 LEU HA . 25125 1 951 . 1 1 76 76 LEU HB2 H 1 1.903 0.020 . 2 . . . A 76 LEU HB2 . 25125 1 952 . 1 1 76 76 LEU HB3 H 1 1.236 0.020 . 2 . . . A 76 LEU HB3 . 25125 1 953 . 1 1 76 76 LEU HG H 1 1.245 0.020 . 1 . . . A 76 LEU HG . 25125 1 954 . 1 1 76 76 LEU HD11 H 1 0.391 0.020 . 2 . . . A 76 LEU HD11 . 25125 1 955 . 1 1 76 76 LEU HD12 H 1 0.391 0.020 . 2 . . . A 76 LEU HD12 . 25125 1 956 . 1 1 76 76 LEU HD13 H 1 0.391 0.020 . 2 . . . A 76 LEU HD13 . 25125 1 957 . 1 1 76 76 LEU HD21 H 1 0.409 0.020 . 2 . . . A 76 LEU HD21 . 25125 1 958 . 1 1 76 76 LEU HD22 H 1 0.409 0.020 . 2 . . . A 76 LEU HD22 . 25125 1 959 . 1 1 76 76 LEU HD23 H 1 0.409 0.020 . 2 . . . A 76 LEU HD23 . 25125 1 960 . 1 1 76 76 LEU CA C 13 53.112 0.3 . 1 . . . A 76 LEU CA . 25125 1 961 . 1 1 76 76 LEU CB C 13 43.685 0.3 . 1 . . . A 76 LEU CB . 25125 1 962 . 1 1 76 76 LEU CG C 13 26.316 0.3 . 1 . . . A 76 LEU CG . 25125 1 963 . 1 1 76 76 LEU CD1 C 13 24.483 0.3 . 1 . . . A 76 LEU CD1 . 25125 1 964 . 1 1 76 76 LEU CD2 C 13 25.734 0.3 . 1 . . . A 76 LEU CD2 . 25125 1 965 . 1 1 76 76 LEU N N 15 125.533 0.3 . 1 . . . A 76 LEU N . 25125 1 966 . 1 1 77 77 PRO HA H 1 4.446 0.020 . 1 . . . A 77 PRO HA . 25125 1 967 . 1 1 77 77 PRO HB2 H 1 1.515 0.020 . 2 . . . A 77 PRO HB2 . 25125 1 968 . 1 1 77 77 PRO HB3 H 1 1.845 0.020 . 2 . . . A 77 PRO HB3 . 25125 1 969 . 1 1 77 77 PRO HG2 H 1 2.111 0.020 . 2 . . . A 77 PRO HG2 . 25125 1 970 . 1 1 77 77 PRO HG3 H 1 1.679 0.020 . 2 . . . A 77 PRO HG3 . 25125 1 971 . 1 1 77 77 PRO HD2 H 1 4.075 0.020 . 2 . . . A 77 PRO HD2 . 25125 1 972 . 1 1 77 77 PRO HD3 H 1 3.871 0.020 . 2 . . . A 77 PRO HD3 . 25125 1 973 . 1 1 77 77 PRO C C 13 174.974 0.3 . 1 . . . A 77 PRO C . 25125 1 974 . 1 1 77 77 PRO CA C 13 62.827 0.3 . 1 . . . A 77 PRO CA . 25125 1 975 . 1 1 77 77 PRO CB C 13 31.722 0.3 . 1 . . . A 77 PRO CB . 25125 1 976 . 1 1 77 77 PRO CG C 13 27.880 0.3 . 1 . . . A 77 PRO CG . 25125 1 977 . 1 1 77 77 PRO CD C 13 51.347 0.3 . 1 . . . A 77 PRO CD . 25125 1 978 . 1 1 78 78 VAL H H 1 8.317 0.020 . 1 . . . A 78 VAL H . 25125 1 979 . 1 1 78 78 VAL HA H 1 5.024 0.020 . 1 . . . A 78 VAL HA . 25125 1 980 . 1 1 78 78 VAL HB H 1 1.930 0.020 . 1 . . . A 78 VAL HB . 25125 1 981 . 1 1 78 78 VAL HG11 H 1 0.757 0.020 . 2 . . . A 78 VAL HG11 . 25125 1 982 . 1 1 78 78 VAL HG12 H 1 0.757 0.020 . 2 . . . A 78 VAL HG12 . 25125 1 983 . 1 1 78 78 VAL HG13 H 1 0.757 0.020 . 2 . . . A 78 VAL HG13 . 25125 1 984 . 1 1 78 78 VAL HG21 H 1 0.914 0.020 . 2 . . . A 78 VAL HG21 . 25125 1 985 . 1 1 78 78 VAL HG22 H 1 0.914 0.020 . 2 . . . A 78 VAL HG22 . 25125 1 986 . 1 1 78 78 VAL HG23 H 1 0.914 0.020 . 2 . . . A 78 VAL HG23 . 25125 1 987 . 1 1 78 78 VAL C C 13 175.441 0.3 . 1 . . . A 78 VAL C . 25125 1 988 . 1 1 78 78 VAL CA C 13 60.193 0.3 . 1 . . . A 78 VAL CA . 25125 1 989 . 1 1 78 78 VAL CB C 13 34.294 0.3 . 1 . . . A 78 VAL CB . 25125 1 990 . 1 1 78 78 VAL CG1 C 13 21.290 0.3 . 1 . . . A 78 VAL CG1 . 25125 1 991 . 1 1 78 78 VAL CG2 C 13 21.429 0.3 . 1 . . . A 78 VAL CG2 . 25125 1 992 . 1 1 78 78 VAL N N 15 123.779 0.3 . 1 . . . A 78 VAL N . 25125 1 993 . 1 1 79 79 ILE H H 1 9.292 0.020 . 1 . . . A 79 ILE H . 25125 1 994 . 1 1 79 79 ILE HA H 1 4.481 0.020 . 1 . . . A 79 ILE HA . 25125 1 995 . 1 1 79 79 ILE HB H 1 1.604 0.020 . 1 . . . A 79 ILE HB . 25125 1 996 . 1 1 79 79 ILE HG12 H 1 1.474 0.020 . 2 . . . A 79 ILE HG12 . 25125 1 997 . 1 1 79 79 ILE HG13 H 1 0.837 0.020 . 2 . . . A 79 ILE HG13 . 25125 1 998 . 1 1 79 79 ILE HG21 H 1 0.548 0.020 . 1 . . . A 79 ILE HG21 . 25125 1 999 . 1 1 79 79 ILE HG22 H 1 0.548 0.020 . 1 . . . A 79 ILE HG22 . 25125 1 1000 . 1 1 79 79 ILE HG23 H 1 0.548 0.020 . 1 . . . A 79 ILE HG23 . 25125 1 1001 . 1 1 79 79 ILE HD11 H 1 0.638 0.020 . 1 . . . A 79 ILE HD11 . 25125 1 1002 . 1 1 79 79 ILE HD12 H 1 0.638 0.020 . 1 . . . A 79 ILE HD12 . 25125 1 1003 . 1 1 79 79 ILE HD13 H 1 0.638 0.020 . 1 . . . A 79 ILE HD13 . 25125 1 1004 . 1 1 79 79 ILE C C 13 174.479 0.3 . 1 . . . A 79 ILE C . 25125 1 1005 . 1 1 79 79 ILE CA C 13 59.522 0.3 . 1 . . . A 79 ILE CA . 25125 1 1006 . 1 1 79 79 ILE CB C 13 39.963 0.3 . 1 . . . A 79 ILE CB . 25125 1 1007 . 1 1 79 79 ILE CG1 C 13 28.541 0.3 . 1 . . . A 79 ILE CG1 . 25125 1 1008 . 1 1 79 79 ILE CG2 C 13 18.260 0.3 . 1 . . . A 79 ILE CG2 . 25125 1 1009 . 1 1 79 79 ILE CD1 C 13 14.424 0.3 . 1 . . . A 79 ILE CD1 . 25125 1 1010 . 1 1 79 79 ILE N N 15 128.334 0.3 . 1 . . . A 79 ILE N . 25125 1 1011 . 1 1 80 80 ILE H H 1 7.938 0.020 . 1 . . . A 80 ILE H . 25125 1 1012 . 1 1 80 80 ILE HA H 1 4.859 0.020 . 1 . . . A 80 ILE HA . 25125 1 1013 . 1 1 80 80 ILE HB H 1 1.720 0.020 . 1 . . . A 80 ILE HB . 25125 1 1014 . 1 1 80 80 ILE HG12 H 1 1.226 0.020 . 1 . . . A 80 ILE HG12 . 25125 1 1015 . 1 1 80 80 ILE HG13 H 1 1.226 0.020 . 1 . . . A 80 ILE HG13 . 25125 1 1016 . 1 1 80 80 ILE HG21 H 1 0.792 0.020 . 1 . . . A 80 ILE HG21 . 25125 1 1017 . 1 1 80 80 ILE HG22 H 1 0.792 0.020 . 1 . . . A 80 ILE HG22 . 25125 1 1018 . 1 1 80 80 ILE HG23 H 1 0.792 0.020 . 1 . . . A 80 ILE HG23 . 25125 1 1019 . 1 1 80 80 ILE HD11 H 1 0.453 0.020 . 1 . . . A 80 ILE HD11 . 25125 1 1020 . 1 1 80 80 ILE HD12 H 1 0.453 0.020 . 1 . . . A 80 ILE HD12 . 25125 1 1021 . 1 1 80 80 ILE HD13 H 1 0.453 0.020 . 1 . . . A 80 ILE HD13 . 25125 1 1022 . 1 1 80 80 ILE C C 13 175.029 0.3 . 1 . . . A 80 ILE C . 25125 1 1023 . 1 1 80 80 ILE CA C 13 58.157 0.3 . 1 . . . A 80 ILE CA . 25125 1 1024 . 1 1 80 80 ILE CB C 13 37.944 0.3 . 1 . . . A 80 ILE CB . 25125 1 1025 . 1 1 80 80 ILE CG1 C 13 27.277 0.3 . 1 . . . A 80 ILE CG1 . 25125 1 1026 . 1 1 80 80 ILE CG2 C 13 17.840 0.3 . 1 . . . A 80 ILE CG2 . 25125 1 1027 . 1 1 80 80 ILE CD1 C 13 11.347 0.3 . 1 . . . A 80 ILE CD1 . 25125 1 1028 . 1 1 80 80 ILE N N 15 127.023 0.3 . 1 . . . A 80 ILE N . 25125 1 1029 . 1 1 81 81 MET H H 1 8.801 0.020 . 1 . . . A 81 MET H . 25125 1 1030 . 1 1 81 81 MET HA H 1 5.521 0.020 . 1 . . . A 81 MET HA . 25125 1 1031 . 1 1 81 81 MET HB2 H 1 1.990 0.020 . 2 . . . A 81 MET HB2 . 25125 1 1032 . 1 1 81 81 MET HB3 H 1 1.845 0.020 . 2 . . . A 81 MET HB3 . 25125 1 1033 . 1 1 81 81 MET HG2 H 1 2.437 0.020 . 2 . . . A 81 MET HG2 . 25125 1 1034 . 1 1 81 81 MET HG3 H 1 2.302 0.020 . 2 . . . A 81 MET HG3 . 25125 1 1035 . 1 1 81 81 MET HE1 H 1 2.002 0.020 . 1 . . . A 81 MET HE1 . 25125 1 1036 . 1 1 81 81 MET HE2 H 1 2.002 0.020 . 1 . . . A 81 MET HE2 . 25125 1 1037 . 1 1 81 81 MET HE3 H 1 2.002 0.020 . 1 . . . A 81 MET HE3 . 25125 1 1038 . 1 1 81 81 MET C C 13 174.534 0.3 . 1 . . . A 81 MET C . 25125 1 1039 . 1 1 81 81 MET CA C 13 53.513 0.3 . 1 . . . A 81 MET CA . 25125 1 1040 . 1 1 81 81 MET CB C 13 35.483 0.3 . 1 . . . A 81 MET CB . 25125 1 1041 . 1 1 81 81 MET CG C 13 31.848 0.3 . 1 . . . A 81 MET CG . 25125 1 1042 . 1 1 81 81 MET CE C 13 17.434 0.3 . 1 . . . A 81 MET CE . 25125 1 1043 . 1 1 81 81 MET N N 15 127.255 0.3 . 1 . . . A 81 MET N . 25125 1 1044 . 1 1 82 82 THR H H 1 7.623 0.020 . 1 . . . A 82 THR H . 25125 1 1045 . 1 1 82 82 THR HA H 1 4.914 0.020 . 1 . . . A 82 THR HA . 25125 1 1046 . 1 1 82 82 THR HB H 1 3.989 0.020 . 1 . . . A 82 THR HB . 25125 1 1047 . 1 1 82 82 THR HG21 H 1 1.012 0.020 . 1 . . . A 82 THR HG21 . 25125 1 1048 . 1 1 82 82 THR HG22 H 1 1.012 0.020 . 1 . . . A 82 THR HG22 . 25125 1 1049 . 1 1 82 82 THR HG23 H 1 1.012 0.020 . 1 . . . A 82 THR HG23 . 25125 1 1050 . 1 1 82 82 THR C C 13 172.581 0.3 . 1 . . . A 82 THR C . 25125 1 1051 . 1 1 82 82 THR CA C 13 59.561 0.3 . 1 . . . A 82 THR CA . 25125 1 1052 . 1 1 82 82 THR CB C 13 69.989 0.3 . 1 . . . A 82 THR CB . 25125 1 1053 . 1 1 82 82 THR CG2 C 13 19.562 0.3 . 1 . . . A 82 THR CG2 . 25125 1 1054 . 1 1 82 82 THR N N 15 112.857 0.3 . 1 . . . A 82 THR N . 25125 1 1055 . 1 1 83 83 ALA H H 1 9.149 0.020 . 1 . . . A 83 ALA H . 25125 1 1056 . 1 1 83 83 ALA HA H 1 4.708 0.020 . 1 . . . A 83 ALA HA . 25125 1 1057 . 1 1 83 83 ALA HB1 H 1 1.540 0.020 . 1 . . . A 83 ALA HB1 . 25125 1 1058 . 1 1 83 83 ALA HB2 H 1 1.540 0.020 . 1 . . . A 83 ALA HB2 . 25125 1 1059 . 1 1 83 83 ALA HB3 H 1 1.540 0.020 . 1 . . . A 83 ALA HB3 . 25125 1 1060 . 1 1 83 83 ALA CA C 13 52.538 0.3 . 1 . . . A 83 ALA CA . 25125 1 1061 . 1 1 83 83 ALA CB C 13 19.147 0.3 . 1 . . . A 83 ALA CB . 25125 1 1062 . 1 1 83 83 ALA N N 15 129.541 0.3 . 1 . . . A 83 ALA N . 25125 1 1063 . 1 1 84 84 HIS HA H 1 4.272 0.020 . 1 . . . A 84 HIS HA . 25125 1 1064 . 1 1 84 84 HIS HB2 H 1 3.244 0.020 . 2 . . . A 84 HIS HB2 . 25125 1 1065 . 1 1 84 84 HIS HB3 H 1 3.205 0.020 . 2 . . . A 84 HIS HB3 . 25125 1 1066 . 1 1 84 84 HIS HD2 H 1 7.126 0.020 . 1 . . . A 84 HIS HD2 . 25125 1 1067 . 1 1 84 84 HIS HE1 H 1 7.915 0.020 . 1 . . . A 84 HIS HE1 . 25125 1 1068 . 1 1 84 84 HIS CA C 13 59.700 0.3 . 1 . . . A 84 HIS CA . 25125 1 1069 . 1 1 84 84 HIS CB C 13 30.018 0.3 . 1 . . . A 84 HIS CB . 25125 1 1070 . 1 1 84 84 HIS CD2 C 13 119.609 0.3 . 1 . . . A 84 HIS CD2 . 25125 1 1071 . 1 1 84 84 HIS CE1 C 13 138.128 0.3 . 1 . . . A 84 HIS CE1 . 25125 1 1072 . 1 1 85 85 SER H H 1 8.224 0.020 . 1 . . . A 85 SER H . 25125 1 1073 . 1 1 85 85 SER HA H 1 4.198 0.020 . 1 . . . A 85 SER HA . 25125 1 1074 . 1 1 85 85 SER HB2 H 1 3.948 0.020 . 2 . . . A 85 SER HB2 . 25125 1 1075 . 1 1 85 85 SER HB3 H 1 3.860 0.020 . 2 . . . A 85 SER HB3 . 25125 1 1076 . 1 1 85 85 SER C C 13 174.506 0.3 . 1 . . . A 85 SER C . 25125 1 1077 . 1 1 85 85 SER CA C 13 59.823 0.3 . 1 . . . A 85 SER CA . 25125 1 1078 . 1 1 85 85 SER CB C 13 62.693 0.3 . 1 . . . A 85 SER CB . 25125 1 1079 . 1 1 85 85 SER N N 15 112.633 0.3 . 1 . . . A 85 SER N . 25125 1 1080 . 1 1 86 86 ASP H H 1 7.608 0.020 . 1 . . . A 86 ASP H . 25125 1 1081 . 1 1 86 86 ASP HA H 1 4.936 0.020 . 1 . . . A 86 ASP HA . 25125 1 1082 . 1 1 86 86 ASP HB2 H 1 2.940 0.020 . 2 . . . A 86 ASP HB2 . 25125 1 1083 . 1 1 86 86 ASP HB3 H 1 2.595 0.020 . 2 . . . A 86 ASP HB3 . 25125 1 1084 . 1 1 86 86 ASP C C 13 175.881 0.3 . 1 . . . A 86 ASP C . 25125 1 1085 . 1 1 86 86 ASP CA C 13 53.934 0.3 . 1 . . . A 86 ASP CA . 25125 1 1086 . 1 1 86 86 ASP CB C 13 42.003 0.3 . 1 . . . A 86 ASP CB . 25125 1 1087 . 1 1 86 86 ASP N N 15 120.886 0.3 . 1 . . . A 86 ASP N . 25125 1 1088 . 1 1 87 87 LEU H H 1 7.498 0.020 . 1 . . . A 87 LEU H . 25125 1 1089 . 1 1 87 87 LEU HA H 1 3.919 0.020 . 1 . . . A 87 LEU HA . 25125 1 1090 . 1 1 87 87 LEU HB2 H 1 1.631 0.020 . 2 . . . A 87 LEU HB2 . 25125 1 1091 . 1 1 87 87 LEU HB3 H 1 1.558 0.020 . 2 . . . A 87 LEU HB3 . 25125 1 1092 . 1 1 87 87 LEU HG H 1 1.560 0.020 . 1 . . . A 87 LEU HG . 25125 1 1093 . 1 1 87 87 LEU HD11 H 1 0.771 0.020 . 2 . . . A 87 LEU HD11 . 25125 1 1094 . 1 1 87 87 LEU HD12 H 1 0.771 0.020 . 2 . . . A 87 LEU HD12 . 25125 1 1095 . 1 1 87 87 LEU HD13 H 1 0.771 0.020 . 2 . . . A 87 LEU HD13 . 25125 1 1096 . 1 1 87 87 LEU HD21 H 1 0.730 0.020 . 2 . . . A 87 LEU HD21 . 25125 1 1097 . 1 1 87 87 LEU HD22 H 1 0.730 0.020 . 2 . . . A 87 LEU HD22 . 25125 1 1098 . 1 1 87 87 LEU HD23 H 1 0.730 0.020 . 2 . . . A 87 LEU HD23 . 25125 1 1099 . 1 1 87 87 LEU C C 13 177.586 0.3 . 1 . . . A 87 LEU C . 25125 1 1100 . 1 1 87 87 LEU CA C 13 57.837 0.3 . 1 . . . A 87 LEU CA . 25125 1 1101 . 1 1 87 87 LEU CB C 13 42.315 0.3 . 1 . . . A 87 LEU CB . 25125 1 1102 . 1 1 87 87 LEU CG C 13 26.800 0.3 . 1 . . . A 87 LEU CG . 25125 1 1103 . 1 1 87 87 LEU CD1 C 13 24.442 0.3 . 1 . . . A 87 LEU CD1 . 25125 1 1104 . 1 1 87 87 LEU CD2 C 13 24.261 0.3 . 1 . . . A 87 LEU CD2 . 25125 1 1105 . 1 1 87 87 LEU N N 15 121.913 0.3 . 1 . . . A 87 LEU N . 25125 1 1106 . 1 1 88 88 ASP H H 1 8.322 0.020 . 1 . . . A 88 ASP H . 25125 1 1107 . 1 1 88 88 ASP HA H 1 4.272 0.020 . 1 . . . A 88 ASP HA . 25125 1 1108 . 1 1 88 88 ASP HB2 H 1 2.577 0.020 . 1 . . . A 88 ASP HB2 . 25125 1 1109 . 1 1 88 88 ASP HB3 H 1 2.577 0.020 . 1 . . . A 88 ASP HB3 . 25125 1 1110 . 1 1 88 88 ASP C C 13 178.246 0.3 . 1 . . . A 88 ASP C . 25125 1 1111 . 1 1 88 88 ASP CA C 13 56.810 0.3 . 1 . . . A 88 ASP CA . 25125 1 1112 . 1 1 88 88 ASP CB C 13 40.134 0.3 . 1 . . . A 88 ASP CB . 25125 1 1113 . 1 1 88 88 ASP N N 15 117.621 0.3 . 1 . . . A 88 ASP N . 25125 1 1114 . 1 1 89 89 ALA H H 1 7.838 0.020 . 1 . . . A 89 ALA H . 25125 1 1115 . 1 1 89 89 ALA HA H 1 4.094 0.020 . 1 . . . A 89 ALA HA . 25125 1 1116 . 1 1 89 89 ALA HB1 H 1 1.412 0.020 . 1 . . . A 89 ALA HB1 . 25125 1 1117 . 1 1 89 89 ALA HB2 H 1 1.412 0.020 . 1 . . . A 89 ALA HB2 . 25125 1 1118 . 1 1 89 89 ALA HB3 H 1 1.412 0.020 . 1 . . . A 89 ALA HB3 . 25125 1 1119 . 1 1 89 89 ALA C C 13 179.346 0.3 . 1 . . . A 89 ALA C . 25125 1 1120 . 1 1 89 89 ALA CA C 13 54.153 0.3 . 1 . . . A 89 ALA CA . 25125 1 1121 . 1 1 89 89 ALA CB C 13 18.261 0.3 . 1 . . . A 89 ALA CB . 25125 1 1122 . 1 1 89 89 ALA N N 15 122.874 0.3 . 1 . . . A 89 ALA N . 25125 1 1123 . 1 1 90 90 ALA H H 1 7.896 0.020 . 1 . . . A 90 ALA H . 25125 1 1124 . 1 1 90 90 ALA HA H 1 3.933 0.020 . 1 . . . A 90 ALA HA . 25125 1 1125 . 1 1 90 90 ALA HB1 H 1 1.319 0.020 . 1 . . . A 90 ALA HB1 . 25125 1 1126 . 1 1 90 90 ALA HB2 H 1 1.319 0.020 . 1 . . . A 90 ALA HB2 . 25125 1 1127 . 1 1 90 90 ALA HB3 H 1 1.319 0.020 . 1 . . . A 90 ALA HB3 . 25125 1 1128 . 1 1 90 90 ALA C C 13 178.686 0.3 . 1 . . . A 90 ALA C . 25125 1 1129 . 1 1 90 90 ALA CA C 13 54.663 0.3 . 1 . . . A 90 ALA CA . 25125 1 1130 . 1 1 90 90 ALA CB C 13 18.382 0.3 . 1 . . . A 90 ALA CB . 25125 1 1131 . 1 1 90 90 ALA N N 15 121.673 0.3 . 1 . . . A 90 ALA N . 25125 1 1132 . 1 1 91 91 VAL H H 1 8.098 0.020 . 1 . . . A 91 VAL H . 25125 1 1133 . 1 1 91 91 VAL HA H 1 3.612 0.020 . 1 . . . A 91 VAL HA . 25125 1 1134 . 1 1 91 91 VAL HB H 1 1.979 0.020 . 1 . . . A 91 VAL HB . 25125 1 1135 . 1 1 91 91 VAL HG11 H 1 0.814 0.020 . 2 . . . A 91 VAL HG11 . 25125 1 1136 . 1 1 91 91 VAL HG12 H 1 0.814 0.020 . 2 . . . A 91 VAL HG12 . 25125 1 1137 . 1 1 91 91 VAL HG13 H 1 0.814 0.020 . 2 . . . A 91 VAL HG13 . 25125 1 1138 . 1 1 91 91 VAL HG21 H 1 0.637 0.020 . 2 . . . A 91 VAL HG21 . 25125 1 1139 . 1 1 91 91 VAL HG22 H 1 0.637 0.020 . 2 . . . A 91 VAL HG22 . 25125 1 1140 . 1 1 91 91 VAL HG23 H 1 0.637 0.020 . 2 . . . A 91 VAL HG23 . 25125 1 1141 . 1 1 91 91 VAL C C 13 178.411 0.3 . 1 . . . A 91 VAL C . 25125 1 1142 . 1 1 91 91 VAL CA C 13 65.181 0.3 . 1 . . . A 91 VAL CA . 25125 1 1143 . 1 1 91 91 VAL CB C 13 31.637 0.3 . 1 . . . A 91 VAL CB . 25125 1 1144 . 1 1 91 91 VAL CG1 C 13 20.996 0.3 . 1 . . . A 91 VAL CG1 . 25125 1 1145 . 1 1 91 91 VAL CG2 C 13 21.412 0.3 . 1 . . . A 91 VAL CG2 . 25125 1 1146 . 1 1 91 91 VAL N N 15 117.749 0.3 . 1 . . . A 91 VAL N . 25125 1 1147 . 1 1 92 92 SER H H 1 7.825 0.020 . 1 . . . A 92 SER H . 25125 1 1148 . 1 1 92 92 SER HA H 1 4.231 0.020 . 1 . . . A 92 SER HA . 25125 1 1149 . 1 1 92 92 SER HB2 H 1 3.926 0.020 . 2 . . . A 92 SER HB2 . 25125 1 1150 . 1 1 92 92 SER HB3 H 1 3.858 0.020 . 2 . . . A 92 SER HB3 . 25125 1 1151 . 1 1 92 92 SER C C 13 175.826 0.3 . 1 . . . A 92 SER C . 25125 1 1152 . 1 1 92 92 SER CA C 13 60.649 0.3 . 1 . . . A 92 SER CA . 25125 1 1153 . 1 1 92 92 SER CB C 13 63.063 0.3 . 1 . . . A 92 SER CB . 25125 1 1154 . 1 1 92 92 SER N N 15 114.942 0.3 . 1 . . . A 92 SER N . 25125 1 1155 . 1 1 93 93 ALA H H 1 7.861 0.020 . 1 . . . A 93 ALA H . 25125 1 1156 . 1 1 93 93 ALA HA H 1 4.057 0.020 . 1 . . . A 93 ALA HA . 25125 1 1157 . 1 1 93 93 ALA HB1 H 1 1.322 0.020 . 1 . . . A 93 ALA HB1 . 25125 1 1158 . 1 1 93 93 ALA HB2 H 1 1.322 0.020 . 1 . . . A 93 ALA HB2 . 25125 1 1159 . 1 1 93 93 ALA HB3 H 1 1.322 0.020 . 1 . . . A 93 ALA HB3 . 25125 1 1160 . 1 1 93 93 ALA C C 13 178.906 0.3 . 1 . . . A 93 ALA C . 25125 1 1161 . 1 1 93 93 ALA CA C 13 54.317 0.3 . 1 . . . A 93 ALA CA . 25125 1 1162 . 1 1 93 93 ALA CB C 13 18.297 0.3 . 1 . . . A 93 ALA CB . 25125 1 1163 . 1 1 93 93 ALA N N 15 122.580 0.3 . 1 . . . A 93 ALA N . 25125 1 1164 . 1 1 94 94 TYR H H 1 8.150 0.020 . 1 . . . A 94 TYR H . 25125 1 1165 . 1 1 94 94 TYR HA H 1 4.492 0.020 . 1 . . . A 94 TYR HA . 25125 1 1166 . 1 1 94 94 TYR HB2 H 1 3.196 0.020 . 2 . . . A 94 TYR HB2 . 25125 1 1167 . 1 1 94 94 TYR HB3 H 1 2.999 0.020 . 2 . . . A 94 TYR HB3 . 25125 1 1168 . 1 1 94 94 TYR HD1 H 1 7.039 0.020 . 1 . . . A 94 TYR HD1 . 25125 1 1169 . 1 1 94 94 TYR HD2 H 1 7.039 0.020 . 1 . . . A 94 TYR HD2 . 25125 1 1170 . 1 1 94 94 TYR HE1 H 1 6.671 0.020 . 1 . . . A 94 TYR HE1 . 25125 1 1171 . 1 1 94 94 TYR HE2 H 1 6.671 0.020 . 1 . . . A 94 TYR HE2 . 25125 1 1172 . 1 1 94 94 TYR C C 13 177.393 0.3 . 1 . . . A 94 TYR C . 25125 1 1173 . 1 1 94 94 TYR CA C 13 59.251 0.3 . 1 . . . A 94 TYR CA . 25125 1 1174 . 1 1 94 94 TYR CB C 13 38.434 0.3 . 1 . . . A 94 TYR CB . 25125 1 1175 . 1 1 94 94 TYR CD1 C 13 132.874 0.3 . 1 . . . A 94 TYR CD1 . 25125 1 1176 . 1 1 94 94 TYR CD2 C 13 132.874 0.3 . 1 . . . A 94 TYR CD2 . 25125 1 1177 . 1 1 94 94 TYR CE1 C 13 118.133 0.3 . 1 . . . A 94 TYR CE1 . 25125 1 1178 . 1 1 94 94 TYR CE2 C 13 118.133 0.3 . 1 . . . A 94 TYR CE2 . 25125 1 1179 . 1 1 94 94 TYR N N 15 118.447 0.3 . 1 . . . A 94 TYR N . 25125 1 1180 . 1 1 95 95 GLN H H 1 8.271 0.020 . 1 . . . A 95 GLN H . 25125 1 1181 . 1 1 95 95 GLN HA H 1 4.043 0.020 . 1 . . . A 95 GLN HA . 25125 1 1182 . 1 1 95 95 GLN HB2 H 1 2.160 0.020 . 2 . . . A 95 GLN HB2 . 25125 1 1183 . 1 1 95 95 GLN HB3 H 1 2.132 0.020 . 2 . . . A 95 GLN HB3 . 25125 1 1184 . 1 1 95 95 GLN HG2 H 1 2.382 0.020 . 1 . . . A 95 GLN HG2 . 25125 1 1185 . 1 1 95 95 GLN HG3 H 1 2.382 0.020 . 1 . . . A 95 GLN HG3 . 25125 1 1186 . 1 1 95 95 GLN HE21 H 1 6.740 0.020 . 1 . . . A 95 GLN HE21 . 25125 1 1187 . 1 1 95 95 GLN HE22 H 1 7.346 0.020 . 1 . . . A 95 GLN HE22 . 25125 1 1188 . 1 1 95 95 GLN C C 13 176.981 0.3 . 1 . . . A 95 GLN C . 25125 1 1189 . 1 1 95 95 GLN CA C 13 57.466 0.3 . 1 . . . A 95 GLN CA . 25125 1 1190 . 1 1 95 95 GLN CB C 13 28.089 0.3 . 1 . . . A 95 GLN CB . 25125 1 1191 . 1 1 95 95 GLN CG C 13 33.832 0.3 . 1 . . . A 95 GLN CG . 25125 1 1192 . 1 1 95 95 GLN N N 15 119.787 0.3 . 1 . . . A 95 GLN N . 25125 1 1193 . 1 1 95 95 GLN NE2 N 15 111.108 0.3 . 1 . . . A 95 GLN NE2 . 25125 1 1194 . 1 1 96 96 GLN H H 1 7.944 0.020 . 1 . . . A 96 GLN H . 25125 1 1195 . 1 1 96 96 GLN HA H 1 4.345 0.020 . 1 . . . A 96 GLN HA . 25125 1 1196 . 1 1 96 96 GLN HB2 H 1 2.279 0.020 . 2 . . . A 96 GLN HB2 . 25125 1 1197 . 1 1 96 96 GLN HB3 H 1 1.939 0.020 . 2 . . . A 96 GLN HB3 . 25125 1 1198 . 1 1 96 96 GLN HG2 H 1 2.402 0.020 . 2 . . . A 96 GLN HG2 . 25125 1 1199 . 1 1 96 96 GLN HG3 H 1 2.355 0.020 . 2 . . . A 96 GLN HG3 . 25125 1 1200 . 1 1 96 96 GLN HE21 H 1 6.754 0.020 . 1 . . . A 96 GLN HE21 . 25125 1 1201 . 1 1 96 96 GLN HE22 H 1 7.354 0.020 . 1 . . . A 96 GLN HE22 . 25125 1 1202 . 1 1 96 96 GLN C C 13 175.854 0.3 . 1 . . . A 96 GLN C . 25125 1 1203 . 1 1 96 96 GLN CA C 13 56.171 0.3 . 1 . . . A 96 GLN CA . 25125 1 1204 . 1 1 96 96 GLN CB C 13 28.475 0.3 . 1 . . . A 96 GLN CB . 25125 1 1205 . 1 1 96 96 GLN CG C 13 34.011 0.3 . 1 . . . A 96 GLN CG . 25125 1 1206 . 1 1 96 96 GLN N N 15 117.878 0.3 . 1 . . . A 96 GLN N . 25125 1 1207 . 1 1 96 96 GLN NE2 N 15 111.218 0.3 . 1 . . . A 96 GLN NE2 . 25125 1 1208 . 1 1 97 97 GLY H H 1 7.949 0.020 . 1 . . . A 97 GLY H . 25125 1 1209 . 1 1 97 97 GLY HA2 H 1 3.959 0.020 . 2 . . . A 97 GLY HA2 . 25125 1 1210 . 1 1 97 97 GLY HA3 H 1 3.815 0.020 . 2 . . . A 97 GLY HA3 . 25125 1 1211 . 1 1 97 97 GLY C C 13 174.231 0.3 . 1 . . . A 97 GLY C . 25125 1 1212 . 1 1 97 97 GLY CA C 13 45.486 0.3 . 1 . . . A 97 GLY CA . 25125 1 1213 . 1 1 97 97 GLY N N 15 106.670 0.3 . 1 . . . A 97 GLY N . 25125 1 1214 . 1 1 98 98 ALA H H 1 7.808 0.020 . 1 . . . A 98 ALA H . 25125 1 1215 . 1 1 98 98 ALA HA H 1 4.375 0.020 . 1 . . . A 98 ALA HA . 25125 1 1216 . 1 1 98 98 ALA HB1 H 1 1.151 0.020 . 1 . . . A 98 ALA HB1 . 25125 1 1217 . 1 1 98 98 ALA HB2 H 1 1.151 0.020 . 1 . . . A 98 ALA HB2 . 25125 1 1218 . 1 1 98 98 ALA HB3 H 1 1.151 0.020 . 1 . . . A 98 ALA HB3 . 25125 1 1219 . 1 1 98 98 ALA C C 13 175.991 0.3 . 1 . . . A 98 ALA C . 25125 1 1220 . 1 1 98 98 ALA CA C 13 52.168 0.3 . 1 . . . A 98 ALA CA . 25125 1 1221 . 1 1 98 98 ALA CB C 13 18.969 0.3 . 1 . . . A 98 ALA CB . 25125 1 1222 . 1 1 98 98 ALA N N 15 122.898 0.3 . 1 . . . A 98 ALA N . 25125 1 1223 . 1 1 99 99 PHE H H 1 7.704 0.020 . 1 . . . A 99 PHE H . 25125 1 1224 . 1 1 99 99 PHE HA H 1 4.350 0.020 . 1 . . . A 99 PHE HA . 25125 1 1225 . 1 1 99 99 PHE HB2 H 1 3.117 0.020 . 2 . . . A 99 PHE HB2 . 25125 1 1226 . 1 1 99 99 PHE HB3 H 1 2.612 0.020 . 2 . . . A 99 PHE HB3 . 25125 1 1227 . 1 1 99 99 PHE HD1 H 1 7.093 0.020 . 1 . . . A 99 PHE HD1 . 25125 1 1228 . 1 1 99 99 PHE HD2 H 1 7.093 0.020 . 1 . . . A 99 PHE HD2 . 25125 1 1229 . 1 1 99 99 PHE HE1 H 1 7.031 0.020 . 1 . . . A 99 PHE HE1 . 25125 1 1230 . 1 1 99 99 PHE HE2 H 1 7.031 0.020 . 1 . . . A 99 PHE HE2 . 25125 1 1231 . 1 1 99 99 PHE HZ H 1 6.938 0.020 . 1 . . . A 99 PHE HZ . 25125 1 1232 . 1 1 99 99 PHE CA C 13 59.456 0.3 . 1 . . . A 99 PHE CA . 25125 1 1233 . 1 1 99 99 PHE CB C 13 40.440 0.3 . 1 . . . A 99 PHE CB . 25125 1 1234 . 1 1 99 99 PHE CD1 C 13 131.621 0.3 . 1 . . . A 99 PHE CD1 . 25125 1 1235 . 1 1 99 99 PHE CD2 C 13 131.621 0.3 . 1 . . . A 99 PHE CD2 . 25125 1 1236 . 1 1 99 99 PHE CE1 C 13 130.985 0.3 . 1 . . . A 99 PHE CE1 . 25125 1 1237 . 1 1 99 99 PHE CE2 C 13 130.985 0.3 . 1 . . . A 99 PHE CE2 . 25125 1 1238 . 1 1 99 99 PHE CZ C 13 129.384 0.3 . 1 . . . A 99 PHE CZ . 25125 1 1239 . 1 1 99 99 PHE N N 15 123.484 0.3 . 1 . . . A 99 PHE N . 25125 1 1240 . 1 1 100 100 ASP HA H 1 4.504 0.020 . 1 . . . A 100 ASP HA . 25125 1 1241 . 1 1 100 100 ASP HB2 H 1 2.490 0.020 . 2 . . . A 100 ASP HB2 . 25125 1 1242 . 1 1 100 100 ASP HB3 H 1 2.345 0.020 . 2 . . . A 100 ASP HB3 . 25125 1 1243 . 1 1 100 100 ASP CA C 13 52.482 0.3 . 1 . . . A 100 ASP CA . 25125 1 1244 . 1 1 100 100 ASP CB C 13 44.200 0.3 . 1 . . . A 100 ASP CB . 25125 1 1245 . 1 1 101 101 TYR H H 1 9.546 0.020 . 1 . . . A 101 TYR H . 25125 1 1246 . 1 1 101 101 TYR HA H 1 5.448 0.020 . 1 . . . A 101 TYR HA . 25125 1 1247 . 1 1 101 101 TYR HB2 H 1 2.723 0.020 . 2 . . . A 101 TYR HB2 . 25125 1 1248 . 1 1 101 101 TYR HB3 H 1 2.628 0.020 . 2 . . . A 101 TYR HB3 . 25125 1 1249 . 1 1 101 101 TYR HD1 H 1 6.749 0.020 . 1 . . . A 101 TYR HD1 . 25125 1 1250 . 1 1 101 101 TYR HD2 H 1 6.749 0.020 . 1 . . . A 101 TYR HD2 . 25125 1 1251 . 1 1 101 101 TYR HE1 H 1 6.576 0.020 . 1 . . . A 101 TYR HE1 . 25125 1 1252 . 1 1 101 101 TYR HE2 H 1 6.576 0.020 . 1 . . . A 101 TYR HE2 . 25125 1 1253 . 1 1 101 101 TYR C C 13 173.159 0.3 . 1 . . . A 101 TYR C . 25125 1 1254 . 1 1 101 101 TYR CA C 13 55.987 0.3 . 1 . . . A 101 TYR CA . 25125 1 1255 . 1 1 101 101 TYR CB C 13 41.898 0.3 . 1 . . . A 101 TYR CB . 25125 1 1256 . 1 1 101 101 TYR CD1 C 13 132.700 0.3 . 1 . . . A 101 TYR CD1 . 25125 1 1257 . 1 1 101 101 TYR CD2 C 13 132.700 0.3 . 1 . . . A 101 TYR CD2 . 25125 1 1258 . 1 1 101 101 TYR CE1 C 13 117.900 0.3 . 1 . . . A 101 TYR CE1 . 25125 1 1259 . 1 1 101 101 TYR CE2 C 13 117.900 0.3 . 1 . . . A 101 TYR CE2 . 25125 1 1260 . 1 1 101 101 TYR N N 15 118.148 0.3 . 1 . . . A 101 TYR N . 25125 1 1261 . 1 1 102 102 LEU H H 1 8.901 0.020 . 1 . . . A 102 LEU H . 25125 1 1262 . 1 1 102 102 LEU HA H 1 4.720 0.020 . 1 . . . A 102 LEU HA . 25125 1 1263 . 1 1 102 102 LEU HB2 H 1 1.458 0.020 . 2 . . . A 102 LEU HB2 . 25125 1 1264 . 1 1 102 102 LEU HB3 H 1 0.797 0.020 . 2 . . . A 102 LEU HB3 . 25125 1 1265 . 1 1 102 102 LEU HG H 1 1.263 0.020 . 1 . . . A 102 LEU HG . 25125 1 1266 . 1 1 102 102 LEU HD11 H 1 0.580 0.020 . 2 . . . A 102 LEU HD11 . 25125 1 1267 . 1 1 102 102 LEU HD12 H 1 0.580 0.020 . 2 . . . A 102 LEU HD12 . 25125 1 1268 . 1 1 102 102 LEU HD13 H 1 0.580 0.020 . 2 . . . A 102 LEU HD13 . 25125 1 1269 . 1 1 102 102 LEU HD21 H 1 0.071 0.020 . 2 . . . A 102 LEU HD21 . 25125 1 1270 . 1 1 102 102 LEU HD22 H 1 0.071 0.020 . 2 . . . A 102 LEU HD22 . 25125 1 1271 . 1 1 102 102 LEU HD23 H 1 0.071 0.020 . 2 . . . A 102 LEU HD23 . 25125 1 1272 . 1 1 102 102 LEU CA C 13 50.499 0.3 . 1 . . . A 102 LEU CA . 25125 1 1273 . 1 1 102 102 LEU CB C 13 45.061 0.3 . 1 . . . A 102 LEU CB . 25125 1 1274 . 1 1 102 102 LEU CG C 13 26.113 0.3 . 1 . . . A 102 LEU CG . 25125 1 1275 . 1 1 102 102 LEU CD1 C 13 22.510 0.3 . 1 . . . A 102 LEU CD1 . 25125 1 1276 . 1 1 102 102 LEU CD2 C 13 25.020 0.3 . 1 . . . A 102 LEU CD2 . 25125 1 1277 . 1 1 102 102 LEU N N 15 124.100 0.3 . 1 . . . A 102 LEU N . 25125 1 1278 . 1 1 103 103 PRO HA H 1 4.893 0.020 . 1 . . . A 103 PRO HA . 25125 1 1279 . 1 1 103 103 PRO HB2 H 1 1.796 0.020 . 2 . . . A 103 PRO HB2 . 25125 1 1280 . 1 1 103 103 PRO HB3 H 1 2.041 0.020 . 2 . . . A 103 PRO HB3 . 25125 1 1281 . 1 1 103 103 PRO HG2 H 1 2.181 0.020 . 2 . . . A 103 PRO HG2 . 25125 1 1282 . 1 1 103 103 PRO HG3 H 1 1.799 0.020 . 2 . . . A 103 PRO HG3 . 25125 1 1283 . 1 1 103 103 PRO HD2 H 1 3.714 0.020 . 2 . . . A 103 PRO HD2 . 25125 1 1284 . 1 1 103 103 PRO HD3 H 1 3.548 0.020 . 2 . . . A 103 PRO HD3 . 25125 1 1285 . 1 1 103 103 PRO C C 13 175.524 0.3 . 1 . . . A 103 PRO C . 25125 1 1286 . 1 1 103 103 PRO CA C 13 61.885 0.3 . 1 . . . A 103 PRO CA . 25125 1 1287 . 1 1 103 103 PRO CB C 13 31.807 0.3 . 1 . . . A 103 PRO CB . 25125 1 1288 . 1 1 103 103 PRO CG C 13 27.538 0.3 . 1 . . . A 103 PRO CG . 25125 1 1289 . 1 1 103 103 PRO CD C 13 50.511 0.3 . 1 . . . A 103 PRO CD . 25125 1 1290 . 1 1 104 104 LYS H H 1 8.279 0.020 . 1 . . . A 104 LYS H . 25125 1 1291 . 1 1 104 104 LYS HA H 1 4.513 0.020 . 1 . . . A 104 LYS HA . 25125 1 1292 . 1 1 104 104 LYS HB2 H 1 1.746 0.020 . 2 . . . A 104 LYS HB2 . 25125 1 1293 . 1 1 104 104 LYS HB3 H 1 1.491 0.020 . 2 . . . A 104 LYS HB3 . 25125 1 1294 . 1 1 104 104 LYS HG2 H 1 1.525 0.020 . 2 . . . A 104 LYS HG2 . 25125 1 1295 . 1 1 104 104 LYS HG3 H 1 1.395 0.020 . 2 . . . A 104 LYS HG3 . 25125 1 1296 . 1 1 104 104 LYS HD2 H 1 1.824 0.020 . 2 . . . A 104 LYS HD2 . 25125 1 1297 . 1 1 104 104 LYS HD3 H 1 1.603 0.020 . 2 . . . A 104 LYS HD3 . 25125 1 1298 . 1 1 104 104 LYS HE2 H 1 2.933 0.020 . 2 . . . A 104 LYS HE2 . 25125 1 1299 . 1 1 104 104 LYS HE3 H 1 2.728 0.020 . 2 . . . A 104 LYS HE3 . 25125 1 1300 . 1 1 104 104 LYS CA C 13 53.218 0.3 . 1 . . . A 104 LYS CA . 25125 1 1301 . 1 1 104 104 LYS CB C 13 34.744 0.3 . 1 . . . A 104 LYS CB . 25125 1 1302 . 1 1 104 104 LYS CG C 13 25.669 0.3 . 1 . . . A 104 LYS CG . 25125 1 1303 . 1 1 104 104 LYS CD C 13 30.993 0.3 . 1 . . . A 104 LYS CD . 25125 1 1304 . 1 1 104 104 LYS CE C 13 41.402 0.3 . 1 . . . A 104 LYS CE . 25125 1 1305 . 1 1 104 104 LYS N N 15 118.848 0.3 . 1 . . . A 104 LYS N . 25125 1 1306 . 1 1 105 105 PRO HA H 1 4.299 0.020 . 1 . . . A 105 PRO HA . 25125 1 1307 . 1 1 105 105 PRO HB2 H 1 1.939 0.020 . 2 . . . A 105 PRO HB2 . 25125 1 1308 . 1 1 105 105 PRO HB3 H 1 2.215 0.020 . 2 . . . A 105 PRO HB3 . 25125 1 1309 . 1 1 105 105 PRO HG2 H 1 1.880 0.020 . 1 . . . A 105 PRO HG2 . 25125 1 1310 . 1 1 105 105 PRO HG3 H 1 1.880 0.020 . 1 . . . A 105 PRO HG3 . 25125 1 1311 . 1 1 105 105 PRO HD2 H 1 3.640 0.020 . 2 . . . A 105 PRO HD2 . 25125 1 1312 . 1 1 105 105 PRO HD3 H 1 3.447 0.020 . 2 . . . A 105 PRO HD3 . 25125 1 1313 . 1 1 105 105 PRO C C 13 175.001 0.3 . 1 . . . A 105 PRO C . 25125 1 1314 . 1 1 105 105 PRO CA C 13 62.394 0.3 . 1 . . . A 105 PRO CA . 25125 1 1315 . 1 1 105 105 PRO CB C 13 34.095 0.3 . 1 . . . A 105 PRO CB . 25125 1 1316 . 1 1 105 105 PRO CG C 13 24.822 0.3 . 1 . . . A 105 PRO CG . 25125 1 1317 . 1 1 105 105 PRO CD C 13 50.242 0.3 . 1 . . . A 105 PRO CD . 25125 1 1318 . 1 1 106 106 PHE H H 1 7.457 0.020 . 1 . . . A 106 PHE H . 25125 1 1319 . 1 1 106 106 PHE HA H 1 5.170 0.020 . 1 . . . A 106 PHE HA . 25125 1 1320 . 1 1 106 106 PHE HB2 H 1 3.463 0.020 . 2 . . . A 106 PHE HB2 . 25125 1 1321 . 1 1 106 106 PHE HB3 H 1 3.065 0.020 . 2 . . . A 106 PHE HB3 . 25125 1 1322 . 1 1 106 106 PHE HD1 H 1 6.980 0.020 . 1 . . . A 106 PHE HD1 . 25125 1 1323 . 1 1 106 106 PHE HD2 H 1 6.980 0.020 . 1 . . . A 106 PHE HD2 . 25125 1 1324 . 1 1 106 106 PHE HE1 H 1 7.120 0.020 . 1 . . . A 106 PHE HE1 . 25125 1 1325 . 1 1 106 106 PHE HE2 H 1 7.120 0.020 . 1 . . . A 106 PHE HE2 . 25125 1 1326 . 1 1 106 106 PHE HZ H 1 7.093 0.020 . 1 . . . A 106 PHE HZ . 25125 1 1327 . 1 1 106 106 PHE C C 13 175.221 0.3 . 1 . . . A 106 PHE C . 25125 1 1328 . 1 1 106 106 PHE CA C 13 53.435 0.3 . 1 . . . A 106 PHE CA . 25125 1 1329 . 1 1 106 106 PHE CB C 13 40.400 0.3 . 1 . . . A 106 PHE CB . 25125 1 1330 . 1 1 106 106 PHE CD1 C 13 133.624 0.3 . 1 . . . A 106 PHE CD1 . 25125 1 1331 . 1 1 106 106 PHE CD2 C 13 133.624 0.3 . 1 . . . A 106 PHE CD2 . 25125 1 1332 . 1 1 106 106 PHE CE1 C 13 130.331 0.3 . 1 . . . A 106 PHE CE1 . 25125 1 1333 . 1 1 106 106 PHE CE2 C 13 130.331 0.3 . 1 . . . A 106 PHE CE2 . 25125 1 1334 . 1 1 106 106 PHE CZ C 13 128.575 0.3 . 1 . . . A 106 PHE CZ . 25125 1 1335 . 1 1 106 106 PHE N N 15 116.607 0.3 . 1 . . . A 106 PHE N . 25125 1 1336 . 1 1 107 107 ASP H H 1 9.022 0.020 . 1 . . . A 107 ASP H . 25125 1 1337 . 1 1 107 107 ASP HA H 1 4.832 0.020 . 1 . . . A 107 ASP HA . 25125 1 1338 . 1 1 107 107 ASP HB2 H 1 2.794 0.020 . 2 . . . A 107 ASP HB2 . 25125 1 1339 . 1 1 107 107 ASP HB3 H 1 2.660 0.020 . 2 . . . A 107 ASP HB3 . 25125 1 1340 . 1 1 107 107 ASP C C 13 177.778 0.3 . 1 . . . A 107 ASP C . 25125 1 1341 . 1 1 107 107 ASP CA C 13 53.242 0.3 . 1 . . . A 107 ASP CA . 25125 1 1342 . 1 1 107 107 ASP CB C 13 42.597 0.3 . 1 . . . A 107 ASP CB . 25125 1 1343 . 1 1 107 107 ASP N N 15 122.214 0.3 . 1 . . . A 107 ASP N . 25125 1 1344 . 1 1 108 108 ILE H H 1 8.860 0.020 . 1 . . . A 108 ILE H . 25125 1 1345 . 1 1 108 108 ILE HA H 1 3.965 0.020 . 1 . . . A 108 ILE HA . 25125 1 1346 . 1 1 108 108 ILE HB H 1 1.958 0.020 . 1 . . . A 108 ILE HB . 25125 1 1347 . 1 1 108 108 ILE HG12 H 1 1.459 0.020 . 2 . . . A 108 ILE HG12 . 25125 1 1348 . 1 1 108 108 ILE HG13 H 1 1.406 0.020 . 2 . . . A 108 ILE HG13 . 25125 1 1349 . 1 1 108 108 ILE HG21 H 1 0.955 0.020 . 1 . . . A 108 ILE HG21 . 25125 1 1350 . 1 1 108 108 ILE HG22 H 1 0.955 0.020 . 1 . . . A 108 ILE HG22 . 25125 1 1351 . 1 1 108 108 ILE HG23 H 1 0.955 0.020 . 1 . . . A 108 ILE HG23 . 25125 1 1352 . 1 1 108 108 ILE HD11 H 1 0.941 0.020 . 1 . . . A 108 ILE HD11 . 25125 1 1353 . 1 1 108 108 ILE HD12 H 1 0.941 0.020 . 1 . . . A 108 ILE HD12 . 25125 1 1354 . 1 1 108 108 ILE HD13 H 1 0.941 0.020 . 1 . . . A 108 ILE HD13 . 25125 1 1355 . 1 1 108 108 ILE C C 13 176.046 0.3 . 1 . . . A 108 ILE C . 25125 1 1356 . 1 1 108 108 ILE CA C 13 62.989 0.3 . 1 . . . A 108 ILE CA . 25125 1 1357 . 1 1 108 108 ILE CB C 13 37.754 0.3 . 1 . . . A 108 ILE CB . 25125 1 1358 . 1 1 108 108 ILE CG1 C 13 28.494 0.3 . 1 . . . A 108 ILE CG1 . 25125 1 1359 . 1 1 108 108 ILE CG2 C 13 18.652 0.3 . 1 . . . A 108 ILE CG2 . 25125 1 1360 . 1 1 108 108 ILE CD1 C 13 13.745 0.3 . 1 . . . A 108 ILE CD1 . 25125 1 1361 . 1 1 108 108 ILE N N 15 127.706 0.3 . 1 . . . A 108 ILE N . 25125 1 1362 . 1 1 109 109 ASP H H 1 8.079 0.020 . 1 . . . A 109 ASP H . 25125 1 1363 . 1 1 109 109 ASP HA H 1 4.388 0.020 . 1 . . . A 109 ASP HA . 25125 1 1364 . 1 1 109 109 ASP HB2 H 1 2.727 0.020 . 2 . . . A 109 ASP HB2 . 25125 1 1365 . 1 1 109 109 ASP HB3 H 1 2.588 0.020 . 2 . . . A 109 ASP HB3 . 25125 1 1366 . 1 1 109 109 ASP C C 13 179.786 0.3 . 1 . . . A 109 ASP C . 25125 1 1367 . 1 1 109 109 ASP CA C 13 57.494 0.3 . 1 . . . A 109 ASP CA . 25125 1 1368 . 1 1 109 109 ASP CB C 13 40.054 0.3 . 1 . . . A 109 ASP CB . 25125 1 1369 . 1 1 109 109 ASP N N 15 120.058 0.3 . 1 . . . A 109 ASP N . 25125 1 1370 . 1 1 110 110 GLU H H 1 8.012 0.020 . 1 . . . A 110 GLU H . 25125 1 1371 . 1 1 110 110 GLU HA H 1 4.068 0.020 . 1 . . . A 110 GLU HA . 25125 1 1372 . 1 1 110 110 GLU HB2 H 1 2.231 0.020 . 2 . . . A 110 GLU HB2 . 25125 1 1373 . 1 1 110 110 GLU HB3 H 1 2.132 0.020 . 2 . . . A 110 GLU HB3 . 25125 1 1374 . 1 1 110 110 GLU HG2 H 1 2.390 0.020 . 2 . . . A 110 GLU HG2 . 25125 1 1375 . 1 1 110 110 GLU HG3 H 1 2.240 0.020 . 2 . . . A 110 GLU HG3 . 25125 1 1376 . 1 1 110 110 GLU C C 13 179.043 0.3 . 1 . . . A 110 GLU C . 25125 1 1377 . 1 1 110 110 GLU CA C 13 58.826 0.3 . 1 . . . A 110 GLU CA . 25125 1 1378 . 1 1 110 110 GLU CB C 13 29.343 0.3 . 1 . . . A 110 GLU CB . 25125 1 1379 . 1 1 110 110 GLU CG C 13 36.174 0.3 . 1 . . . A 110 GLU CG . 25125 1 1380 . 1 1 110 110 GLU N N 15 121.559 0.3 . 1 . . . A 110 GLU N . 25125 1 1381 . 1 1 111 111 ALA H H 1 7.897 0.020 . 1 . . . A 111 ALA H . 25125 1 1382 . 1 1 111 111 ALA HA H 1 3.754 0.020 . 1 . . . A 111 ALA HA . 25125 1 1383 . 1 1 111 111 ALA HB1 H 1 0.979 0.020 . 1 . . . A 111 ALA HB1 . 25125 1 1384 . 1 1 111 111 ALA HB2 H 1 0.979 0.020 . 1 . . . A 111 ALA HB2 . 25125 1 1385 . 1 1 111 111 ALA HB3 H 1 0.979 0.020 . 1 . . . A 111 ALA HB3 . 25125 1 1386 . 1 1 111 111 ALA C C 13 178.493 0.3 . 1 . . . A 111 ALA C . 25125 1 1387 . 1 1 111 111 ALA CA C 13 55.172 0.3 . 1 . . . A 111 ALA CA . 25125 1 1388 . 1 1 111 111 ALA CB C 13 18.382 0.3 . 1 . . . A 111 ALA CB . 25125 1 1389 . 1 1 111 111 ALA N N 15 122.267 0.3 . 1 . . . A 111 ALA N . 25125 1 1390 . 1 1 112 112 VAL H H 1 8.018 0.020 . 1 . . . A 112 VAL H . 25125 1 1391 . 1 1 112 112 VAL HA H 1 3.167 0.020 . 1 . . . A 112 VAL HA . 25125 1 1392 . 1 1 112 112 VAL HB H 1 2.042 0.020 . 1 . . . A 112 VAL HB . 25125 1 1393 . 1 1 112 112 VAL HG11 H 1 0.783 0.020 . 2 . . . A 112 VAL HG11 . 25125 1 1394 . 1 1 112 112 VAL HG12 H 1 0.783 0.020 . 2 . . . A 112 VAL HG12 . 25125 1 1395 . 1 1 112 112 VAL HG13 H 1 0.783 0.020 . 2 . . . A 112 VAL HG13 . 25125 1 1396 . 1 1 112 112 VAL HG21 H 1 0.893 0.020 . 2 . . . A 112 VAL HG21 . 25125 1 1397 . 1 1 112 112 VAL HG22 H 1 0.893 0.020 . 2 . . . A 112 VAL HG22 . 25125 1 1398 . 1 1 112 112 VAL HG23 H 1 0.893 0.020 . 2 . . . A 112 VAL HG23 . 25125 1 1399 . 1 1 112 112 VAL C C 13 177.201 0.3 . 1 . . . A 112 VAL C . 25125 1 1400 . 1 1 112 112 VAL CA C 13 67.145 0.3 . 1 . . . A 112 VAL CA . 25125 1 1401 . 1 1 112 112 VAL CB C 13 31.552 0.3 . 1 . . . A 112 VAL CB . 25125 1 1402 . 1 1 112 112 VAL CG1 C 13 21.223 0.3 . 1 . . . A 112 VAL CG1 . 25125 1 1403 . 1 1 112 112 VAL CG2 C 13 22.897 0.3 . 1 . . . A 112 VAL CG2 . 25125 1 1404 . 1 1 112 112 VAL N N 15 116.527 0.3 . 1 . . . A 112 VAL N . 25125 1 1405 . 1 1 113 113 ALA H H 1 7.673 0.020 . 1 . . . A 113 ALA H . 25125 1 1406 . 1 1 113 113 ALA HA H 1 4.138 0.020 . 1 . . . A 113 ALA HA . 25125 1 1407 . 1 1 113 113 ALA HB1 H 1 1.441 0.020 . 1 . . . A 113 ALA HB1 . 25125 1 1408 . 1 1 113 113 ALA HB2 H 1 1.441 0.020 . 1 . . . A 113 ALA HB2 . 25125 1 1409 . 1 1 113 113 ALA HB3 H 1 1.441 0.020 . 1 . . . A 113 ALA HB3 . 25125 1 1410 . 1 1 113 113 ALA CA C 13 54.832 0.3 . 1 . . . A 113 ALA CA . 25125 1 1411 . 1 1 113 113 ALA CB C 13 17.872 0.3 . 1 . . . A 113 ALA CB . 25125 1 1412 . 1 1 113 113 ALA N N 15 119.895 0.3 . 1 . . . A 113 ALA N . 25125 1 1413 . 1 1 114 114 LEU H H 1 7.840 0.020 . 1 . . . A 114 LEU H . 25125 1 1414 . 1 1 114 114 LEU HA H 1 4.083 0.020 . 1 . . . A 114 LEU HA . 25125 1 1415 . 1 1 114 114 LEU HB2 H 1 1.808 0.020 . 2 . . . A 114 LEU HB2 . 25125 1 1416 . 1 1 114 114 LEU HB3 H 1 1.697 0.020 . 2 . . . A 114 LEU HB3 . 25125 1 1417 . 1 1 114 114 LEU HG H 1 1.608 0.020 . 1 . . . A 114 LEU HG . 25125 1 1418 . 1 1 114 114 LEU HD11 H 1 0.966 0.020 . 2 . . . A 114 LEU HD11 . 25125 1 1419 . 1 1 114 114 LEU HD12 H 1 0.966 0.020 . 2 . . . A 114 LEU HD12 . 25125 1 1420 . 1 1 114 114 LEU HD13 H 1 0.966 0.020 . 2 . . . A 114 LEU HD13 . 25125 1 1421 . 1 1 114 114 LEU HD21 H 1 0.835 0.020 . 2 . . . A 114 LEU HD21 . 25125 1 1422 . 1 1 114 114 LEU HD22 H 1 0.835 0.020 . 2 . . . A 114 LEU HD22 . 25125 1 1423 . 1 1 114 114 LEU HD23 H 1 0.835 0.020 . 2 . . . A 114 LEU HD23 . 25125 1 1424 . 1 1 114 114 LEU C C 13 178.466 0.3 . 1 . . . A 114 LEU C . 25125 1 1425 . 1 1 114 114 LEU CA C 13 58.020 0.3 . 1 . . . A 114 LEU CA . 25125 1 1426 . 1 1 114 114 LEU CB C 13 41.833 0.3 . 1 . . . A 114 LEU CB . 25125 1 1427 . 1 1 114 114 LEU CG C 13 27.290 0.3 . 1 . . . A 114 LEU CG . 25125 1 1428 . 1 1 114 114 LEU CD1 C 13 24.343 0.3 . 1 . . . A 114 LEU CD1 . 25125 1 1429 . 1 1 114 114 LEU CD2 C 13 26.614 0.3 . 1 . . . A 114 LEU CD2 . 25125 1 1430 . 1 1 114 114 LEU N N 15 120.650 0.3 . 1 . . . A 114 LEU N . 25125 1 1431 . 1 1 115 115 VAL H H 1 7.824 0.020 . 1 . . . A 115 VAL H . 25125 1 1432 . 1 1 115 115 VAL HA H 1 3.212 0.020 . 1 . . . A 115 VAL HA . 25125 1 1433 . 1 1 115 115 VAL HB H 1 2.123 0.020 . 1 . . . A 115 VAL HB . 25125 1 1434 . 1 1 115 115 VAL HG11 H 1 0.867 0.020 . 2 . . . A 115 VAL HG11 . 25125 1 1435 . 1 1 115 115 VAL HG12 H 1 0.867 0.020 . 2 . . . A 115 VAL HG12 . 25125 1 1436 . 1 1 115 115 VAL HG13 H 1 0.867 0.020 . 2 . . . A 115 VAL HG13 . 25125 1 1437 . 1 1 115 115 VAL HG21 H 1 0.725 0.020 . 2 . . . A 115 VAL HG21 . 25125 1 1438 . 1 1 115 115 VAL HG22 H 1 0.725 0.020 . 2 . . . A 115 VAL HG22 . 25125 1 1439 . 1 1 115 115 VAL HG23 H 1 0.725 0.020 . 2 . . . A 115 VAL HG23 . 25125 1 1440 . 1 1 115 115 VAL C C 13 177.448 0.3 . 1 . . . A 115 VAL C . 25125 1 1441 . 1 1 115 115 VAL CA C 13 67.201 0.3 . 1 . . . A 115 VAL CA . 25125 1 1442 . 1 1 115 115 VAL CB C 13 30.672 0.3 . 1 . . . A 115 VAL CB . 25125 1 1443 . 1 1 115 115 VAL CG1 C 13 24.013 0.3 . 1 . . . A 115 VAL CG1 . 25125 1 1444 . 1 1 115 115 VAL CG2 C 13 22.716 0.3 . 1 . . . A 115 VAL CG2 . 25125 1 1445 . 1 1 115 115 VAL N N 15 119.480 0.3 . 1 . . . A 115 VAL N . 25125 1 1446 . 1 1 116 116 GLU H H 1 8.465 0.020 . 1 . . . A 116 GLU H . 25125 1 1447 . 1 1 116 116 GLU HA H 1 3.789 0.020 . 1 . . . A 116 GLU HA . 25125 1 1448 . 1 1 116 116 GLU HB2 H 1 2.123 0.020 . 2 . . . A 116 GLU HB2 . 25125 1 1449 . 1 1 116 116 GLU HB3 H 1 1.947 0.020 . 2 . . . A 116 GLU HB3 . 25125 1 1450 . 1 1 116 116 GLU HG2 H 1 2.437 0.020 . 2 . . . A 116 GLU HG2 . 25125 1 1451 . 1 1 116 116 GLU HG3 H 1 2.019 0.020 . 2 . . . A 116 GLU HG3 . 25125 1 1452 . 1 1 116 116 GLU C C 13 179.566 0.3 . 1 . . . A 116 GLU C . 25125 1 1453 . 1 1 116 116 GLU CA C 13 59.930 0.3 . 1 . . . A 116 GLU CA . 25125 1 1454 . 1 1 116 116 GLU CB C 13 29.096 0.3 . 1 . . . A 116 GLU CB . 25125 1 1455 . 1 1 116 116 GLU CG C 13 36.588 0.3 . 1 . . . A 116 GLU CG . 25125 1 1456 . 1 1 116 116 GLU N N 15 117.473 0.3 . 1 . . . A 116 GLU N . 25125 1 1457 . 1 1 117 117 ARG H H 1 8.012 0.020 . 1 . . . A 117 ARG H . 25125 1 1458 . 1 1 117 117 ARG HA H 1 4.064 0.020 . 1 . . . A 117 ARG HA . 25125 1 1459 . 1 1 117 117 ARG HB2 H 1 2.081 0.020 . 1 . . . A 117 ARG HB2 . 25125 1 1460 . 1 1 117 117 ARG HB3 H 1 2.081 0.020 . 1 . . . A 117 ARG HB3 . 25125 1 1461 . 1 1 117 117 ARG HG2 H 1 1.891 0.020 . 2 . . . A 117 ARG HG2 . 25125 1 1462 . 1 1 117 117 ARG HG3 H 1 1.666 0.020 . 2 . . . A 117 ARG HG3 . 25125 1 1463 . 1 1 117 117 ARG HD2 H 1 3.255 0.020 . 1 . . . A 117 ARG HD2 . 25125 1 1464 . 1 1 117 117 ARG HD3 H 1 3.255 0.020 . 1 . . . A 117 ARG HD3 . 25125 1 1465 . 1 1 117 117 ARG C C 13 178.438 0.3 . 1 . . . A 117 ARG C . 25125 1 1466 . 1 1 117 117 ARG CA C 13 59.278 0.3 . 1 . . . A 117 ARG CA . 25125 1 1467 . 1 1 117 117 ARG CB C 13 30.277 0.3 . 1 . . . A 117 ARG CB . 25125 1 1468 . 1 1 117 117 ARG CG C 13 28.128 0.3 . 1 . . . A 117 ARG CG . 25125 1 1469 . 1 1 117 117 ARG CD C 13 43.957 0.3 . 1 . . . A 117 ARG CD . 25125 1 1470 . 1 1 117 117 ARG N N 15 120.128 0.3 . 1 . . . A 117 ARG N . 25125 1 1471 . 1 1 118 118 ALA H H 1 7.958 0.020 . 1 . . . A 118 ALA H . 25125 1 1472 . 1 1 118 118 ALA HA H 1 3.456 0.020 . 1 . . . A 118 ALA HA . 25125 1 1473 . 1 1 118 118 ALA HB1 H 1 0.979 0.020 . 1 . . . A 118 ALA HB1 . 25125 1 1474 . 1 1 118 118 ALA HB2 H 1 0.979 0.020 . 1 . . . A 118 ALA HB2 . 25125 1 1475 . 1 1 118 118 ALA HB3 H 1 0.979 0.020 . 1 . . . A 118 ALA HB3 . 25125 1 1476 . 1 1 118 118 ALA C C 13 178.741 0.3 . 1 . . . A 118 ALA C . 25125 1 1477 . 1 1 118 118 ALA CA C 13 54.578 0.3 . 1 . . . A 118 ALA CA . 25125 1 1478 . 1 1 118 118 ALA CB C 13 18.158 0.3 . 1 . . . A 118 ALA CB . 25125 1 1479 . 1 1 118 118 ALA N N 15 122.270 0.3 . 1 . . . A 118 ALA N . 25125 1 1480 . 1 1 119 119 ILE H H 1 7.753 0.020 . 1 . . . A 119 ILE H . 25125 1 1481 . 1 1 119 119 ILE HA H 1 3.728 0.020 . 1 . . . A 119 ILE HA . 25125 1 1482 . 1 1 119 119 ILE HB H 1 1.844 0.020 . 1 . . . A 119 ILE HB . 25125 1 1483 . 1 1 119 119 ILE HG12 H 1 1.536 0.020 . 2 . . . A 119 ILE HG12 . 25125 1 1484 . 1 1 119 119 ILE HG13 H 1 0.953 0.020 . 2 . . . A 119 ILE HG13 . 25125 1 1485 . 1 1 119 119 ILE HG21 H 1 0.774 0.020 . 1 . . . A 119 ILE HG21 . 25125 1 1486 . 1 1 119 119 ILE HG22 H 1 0.774 0.020 . 1 . . . A 119 ILE HG22 . 25125 1 1487 . 1 1 119 119 ILE HG23 H 1 0.774 0.020 . 1 . . . A 119 ILE HG23 . 25125 1 1488 . 1 1 119 119 ILE HD11 H 1 0.607 0.020 . 1 . . . A 119 ILE HD11 . 25125 1 1489 . 1 1 119 119 ILE HD12 H 1 0.607 0.020 . 1 . . . A 119 ILE HD12 . 25125 1 1490 . 1 1 119 119 ILE HD13 H 1 0.607 0.020 . 1 . . . A 119 ILE HD13 . 25125 1 1491 . 1 1 119 119 ILE C C 13 177.366 0.3 . 1 . . . A 119 ILE C . 25125 1 1492 . 1 1 119 119 ILE CA C 13 63.669 0.3 . 1 . . . A 119 ILE CA . 25125 1 1493 . 1 1 119 119 ILE CB C 13 37.798 0.3 . 1 . . . A 119 ILE CB . 25125 1 1494 . 1 1 119 119 ILE CG1 C 13 28.590 0.3 . 1 . . . A 119 ILE CG1 . 25125 1 1495 . 1 1 119 119 ILE CG2 C 13 17.075 0.3 . 1 . . . A 119 ILE CG2 . 25125 1 1496 . 1 1 119 119 ILE CD1 C 13 13.918 0.3 . 1 . . . A 119 ILE CD1 . 25125 1 1497 . 1 1 119 119 ILE N N 15 115.269 0.3 . 1 . . . A 119 ILE N . 25125 1 1498 . 1 1 120 120 SER H H 1 7.816 0.020 . 1 . . . A 120 SER H . 25125 1 1499 . 1 1 120 120 SER HA H 1 4.275 0.020 . 1 . . . A 120 SER HA . 25125 1 1500 . 1 1 120 120 SER HB2 H 1 3.918 0.020 . 2 . . . A 120 SER HB2 . 25125 1 1501 . 1 1 120 120 SER HB3 H 1 3.880 0.020 . 2 . . . A 120 SER HB3 . 25125 1 1502 . 1 1 120 120 SER C C 13 175.084 0.3 . 1 . . . A 120 SER C . 25125 1 1503 . 1 1 120 120 SER CA C 13 59.816 0.3 . 1 . . . A 120 SER CA . 25125 1 1504 . 1 1 120 120 SER CB C 13 63.380 0.3 . 1 . . . A 120 SER CB . 25125 1 1505 . 1 1 120 120 SER N N 15 115.135 0.3 . 1 . . . A 120 SER N . 25125 1 1506 . 1 1 121 121 HIS H H 1 7.910 0.020 . 1 . . . A 121 HIS H . 25125 1 1507 . 1 1 121 121 HIS HA H 1 4.422 0.020 . 1 . . . A 121 HIS HA . 25125 1 1508 . 1 1 121 121 HIS HB2 H 1 3.176 0.020 . 2 . . . A 121 HIS HB2 . 25125 1 1509 . 1 1 121 121 HIS HB3 H 1 3.114 0.020 . 2 . . . A 121 HIS HB3 . 25125 1 1510 . 1 1 121 121 HIS HD2 H 1 6.743 0.020 . 1 . . . A 121 HIS HD2 . 25125 1 1511 . 1 1 121 121 HIS HE1 H 1 8.095 0.020 . 1 . . . A 121 HIS HE1 . 25125 1 1512 . 1 1 121 121 HIS C C 13 175.029 0.3 . 1 . . . A 121 HIS C . 25125 1 1513 . 1 1 121 121 HIS CA C 13 57.236 0.3 . 1 . . . A 121 HIS CA . 25125 1 1514 . 1 1 121 121 HIS CB C 13 29.428 0.3 . 1 . . . A 121 HIS CB . 25125 1 1515 . 1 1 121 121 HIS CD2 C 13 120.254 0.3 . 1 . . . A 121 HIS CD2 . 25125 1 1516 . 1 1 121 121 HIS CE1 C 13 137.473 0.3 . 1 . . . A 121 HIS CE1 . 25125 1 1517 . 1 1 121 121 HIS N N 15 119.908 0.3 . 1 . . . A 121 HIS N . 25125 1 1518 . 1 1 122 122 TYR H H 1 7.766 0.020 . 1 . . . A 122 TYR H . 25125 1 1519 . 1 1 122 122 TYR HA H 1 4.426 0.020 . 1 . . . A 122 TYR HA . 25125 1 1520 . 1 1 122 122 TYR HB2 H 1 3.078 0.020 . 2 . . . A 122 TYR HB2 . 25125 1 1521 . 1 1 122 122 TYR HB3 H 1 2.903 0.020 . 2 . . . A 122 TYR HB3 . 25125 1 1522 . 1 1 122 122 TYR HD1 H 1 7.180 0.020 . 1 . . . A 122 TYR HD1 . 25125 1 1523 . 1 1 122 122 TYR HD2 H 1 7.180 0.020 . 1 . . . A 122 TYR HD2 . 25125 1 1524 . 1 1 122 122 TYR HE1 H 1 6.767 0.020 . 1 . . . A 122 TYR HE1 . 25125 1 1525 . 1 1 122 122 TYR HE2 H 1 6.767 0.020 . 1 . . . A 122 TYR HE2 . 25125 1 1526 . 1 1 122 122 TYR C C 13 175.276 0.3 . 1 . . . A 122 TYR C . 25125 1 1527 . 1 1 122 122 TYR CA C 13 58.449 0.3 . 1 . . . A 122 TYR CA . 25125 1 1528 . 1 1 122 122 TYR CB C 13 38.604 0.3 . 1 . . . A 122 TYR CB . 25125 1 1529 . 1 1 122 122 TYR CD1 C 13 133.250 0.3 . 1 . . . A 122 TYR CD1 . 25125 1 1530 . 1 1 122 122 TYR CD2 C 13 133.250 0.3 . 1 . . . A 122 TYR CD2 . 25125 1 1531 . 1 1 122 122 TYR CE1 C 13 118.114 0.3 . 1 . . . A 122 TYR CE1 . 25125 1 1532 . 1 1 122 122 TYR CE2 C 13 118.114 0.3 . 1 . . . A 122 TYR CE2 . 25125 1 1533 . 1 1 122 122 TYR N N 15 118.880 0.3 . 1 . . . A 122 TYR N . 25125 1 1534 . 1 1 123 123 GLN H H 1 7.878 0.020 . 1 . . . A 123 GLN H . 25125 1 1535 . 1 1 123 123 GLN HA H 1 4.270 0.020 . 1 . . . A 123 GLN HA . 25125 1 1536 . 1 1 123 123 GLN HB2 H 1 2.059 0.020 . 2 . . . A 123 GLN HB2 . 25125 1 1537 . 1 1 123 123 GLN HB3 H 1 1.934 0.020 . 2 . . . A 123 GLN HB3 . 25125 1 1538 . 1 1 123 123 GLN HG2 H 1 2.300 0.020 . 1 . . . A 123 GLN HG2 . 25125 1 1539 . 1 1 123 123 GLN HG3 H 1 2.300 0.020 . 1 . . . A 123 GLN HG3 . 25125 1 1540 . 1 1 123 123 GLN HE21 H 1 6.815 0.020 . 1 . . . A 123 GLN HE21 . 25125 1 1541 . 1 1 123 123 GLN HE22 H 1 7.502 0.020 . 1 . . . A 123 GLN HE22 . 25125 1 1542 . 1 1 123 123 GLN C C 13 174.534 0.3 . 1 . . . A 123 GLN C . 25125 1 1543 . 1 1 123 123 GLN CA C 13 55.512 0.3 . 1 . . . A 123 GLN CA . 25125 1 1544 . 1 1 123 123 GLN CB C 13 29.768 0.3 . 1 . . . A 123 GLN CB . 25125 1 1545 . 1 1 123 123 GLN CG C 13 33.667 0.3 . 1 . . . A 123 GLN CG . 25125 1 1546 . 1 1 123 123 GLN N N 15 121.479 0.3 . 1 . . . A 123 GLN N . 25125 1 1547 . 1 1 123 123 GLN NE2 N 15 112.020 0.3 . 1 . . . A 123 GLN NE2 . 25125 1 1548 . 1 1 124 124 GLU H H 1 7.842 0.020 . 1 . . . A 124 GLU H . 25125 1 1549 . 1 1 124 124 GLU HA H 1 4.045 0.020 . 1 . . . A 124 GLU HA . 25125 1 1550 . 1 1 124 124 GLU HB2 H 1 1.997 0.020 . 2 . . . A 124 GLU HB2 . 25125 1 1551 . 1 1 124 124 GLU HB3 H 1 1.863 0.020 . 2 . . . A 124 GLU HB3 . 25125 1 1552 . 1 1 124 124 GLU HG2 H 1 2.196 0.020 . 1 . . . A 124 GLU HG2 . 25125 1 1553 . 1 1 124 124 GLU HG3 H 1 2.196 0.020 . 1 . . . A 124 GLU HG3 . 25125 1 1554 . 1 1 124 124 GLU CA C 13 58.020 0.3 . 1 . . . A 124 GLU CA . 25125 1 1555 . 1 1 124 124 GLU CB C 13 30.957 0.3 . 1 . . . A 124 GLU CB . 25125 1 1556 . 1 1 124 124 GLU CG C 13 36.563 0.3 . 1 . . . A 124 GLU CG . 25125 1 1557 . 1 1 124 124 GLU N N 15 127.463 0.3 . 1 . . . A 124 GLU N . 25125 1 stop_ save_