data_18156 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18156 _Entry.Title ; Solution NMR Structure of the mitochondrial inner membrane domain (residues 164-251), FtsH_ext, from the paraplegin-like protein AFGL32 from Homo sapiens, Northeast Structural Genomics Consortium Target HR6741A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-12-20 _Entry.Accession_date 2011-12-20 _Entry.Last_release_date 2012-02-06 _Entry.Original_release_date 2012-02-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Theresa Ramelot . A. . 18156 2 Yunhuang Yang . . . 18156 3 Hsiau-Wei Lee . . . 18156 4 Haleema Janua . . . 18156 5 Eitan Kohan . . . 18156 6 Ritu Shastry . . . 18156 7 Thomas Acton . B. . 18156 8 Rong Xiao . . . 18156 9 John Everett . K. . 18156 10 James Prestegard . H. . 18156 11 Gaetano Montelione . T. . 18156 12 Michael Kennedy . A. . 18156 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 PSI-Biology 'Northeast Structural Genomics Consortium' . 18156 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID AFG3L2 . 18156 'AFG3-like gene 2' . 18156 'mitochondrial inner membrane protein' . 18156 MPP . 18156 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 18156 paraplegin-like . 18156 'Protein NMR' . 18156 'Protein Structure Initiative' . 18156 PSI-Biology . 18156 'Structural Genomics' . 18156 'Target HR6741A' . 18156 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18156 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 420 18156 '15N chemical shifts' 101 18156 '1H chemical shifts' 657 18156 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 . . 2012-02-06 2011-12-20 original author . 18156 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18156 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Northeast Structural Genomics Consortium Target HR6741A' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Theresa Ramelot . A. . 18156 1 2 Yunhuang Yang . . . 18156 1 3 Hsiau-Wei Lee . . . 18156 1 4 Haleema Janua . . . 18156 1 5 Eitan Kohan . . . 18156 1 6 Ritu Shastry . . . 18156 1 7 Thomas Acton . B. . 18156 1 8 Rong Xiao . . . 18156 1 9 John Everett . K. . 18156 1 10 James Prestegard . H. . 18156 1 11 Gaetano Montelione . T. . 18156 1 12 Michael Kennedy . A. . 18156 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18156 _Assembly.ID 1 _Assembly.Name HR6741A _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 HR6741A 1 $HR6741A A . yes native no no . . . 18156 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HR6741A _Entity.Sf_category entity _Entity.Sf_framecode HR6741A _Entity.Entry_ID 18156 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HR6741A _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 ; MGHHHHHHSHMKRSGREITW KDFVNNYLSKGVVDRLEVVN KRFVRVTFTPGKTPVDGQYV WFNIGSVDTFERNLETLQQE LGIEGENRVPVVYIAESDG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'N-terminal tag (MGHHHHHHSHM), residues 164-251 of AFG3L2, starts at K11' _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11999.1 _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 PDB 2LNA . "Solution Nmr Structure Of The Mitochondrial Inner Membrane Domain (residues 164-251), Ftsh_ext, From The Paraplegin-like Protei" . . . . . 100.00 99 100.00 100.00 1.46e-65 . . . . 18156 1 2 no DBJ BAE29204 . "unnamed protein product [Mus musculus]" . . . . . 88.89 795 98.86 98.86 3.92e-53 . . . . 18156 1 3 no DBJ BAE30959 . "unnamed protein product [Mus musculus]" . . . . . 88.89 802 97.73 97.73 4.59e-52 . . . . 18156 1 4 no DBJ BAE31449 . "unnamed protein product [Mus musculus]" . . . . . 88.89 802 97.73 97.73 4.59e-52 . . . . 18156 1 5 no EMBL CAB48398 . "paraplegin-like protein [Homo sapiens]" . . . . . 89.90 797 98.88 100.00 3.51e-54 . . . . 18156 1 6 no GB AAH24282 . "Similar to AFG3 ATPase family gene 3-like 2 (yeast), partial [Homo sapiens]" . . . . . 89.90 812 98.88 100.00 3.51e-54 . . . . 18156 1 7 no GB AAH36999 . "AFG3(ATPase family gene 3)-like 2 (yeast) [Mus musculus]" . . . . . 88.89 802 98.86 98.86 5.07e-53 . . . . 18156 1 8 no GB AAH43056 . "AFG3(ATPase family gene 3)-like 2 (yeast) [Mus musculus]" . . . . . 88.89 802 98.86 98.86 5.07e-53 . . . . 18156 1 9 no GB AAH65016 . "AFG3 ATPase family gene 3-like 2 (yeast) [Homo sapiens]" . . . . . 89.90 797 98.88 100.00 3.92e-54 . . . . 18156 1 10 no GB AAI05323 . "AFG3 ATPase family gene 3-like 2 (yeast) [Bos taurus]" . . . . . 88.89 805 97.73 97.73 1.55e-52 . . . . 18156 1 11 no REF NP_001039676 . "AFG3-like protein 2 [Bos taurus]" . . . . . 88.89 805 97.73 97.73 1.55e-52 . . . . 18156 1 12 no REF NP_001128336 . "AFG3-like protein 2 [Rattus norvegicus]" . . . . . 88.89 802 98.86 98.86 5.07e-53 . . . . 18156 1 13 no REF NP_006787 . "AFG3-like protein 2 [Homo sapiens]" . . . . . 89.90 797 98.88 100.00 3.92e-54 . . . . 18156 1 14 no REF NP_081406 . "AFG3-like protein 2 [Mus musculus]" . . . . . 88.89 802 98.86 98.86 5.07e-53 . . . . 18156 1 15 no REF XP_001094146 . "PREDICTED: AFG3 ATPase family gene 3-like 2 isoform 2 [Macaca mulatta]" . . . . . 89.90 798 98.88 100.00 7.25e-54 . . . . 18156 1 16 no SP Q2KJI7 . "RecName: Full=AFG3-like protein 2" . . . . . 88.89 805 97.73 97.73 1.55e-52 . . . . 18156 1 17 no SP Q8JZQ2 . "RecName: Full=AFG3-like protein 2" . . . . . 88.89 802 98.86 98.86 5.07e-53 . . . . 18156 1 18 no SP Q9Y4W6 . "RecName: Full=AFG3-like protein 2; AltName: Full=Paraplegin-like protein" . . . . . 89.90 797 98.88 100.00 3.92e-54 . . . . 18156 1 19 no TPG DAA15802 . "TPA: AFG3-like protein 2 [Bos taurus]" . . . . . 88.89 805 97.73 97.73 1.55e-52 . . . . 18156 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'ATP-dependent integral membrane protease' 18156 1 paraplegin-like 18156 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 . 18156 1 2 . GLY . 18156 1 3 . HIS . 18156 1 4 . HIS . 18156 1 5 . HIS . 18156 1 6 . HIS . 18156 1 7 . HIS . 18156 1 8 . HIS . 18156 1 9 . SER . 18156 1 10 . HIS . 18156 1 11 . MET . 18156 1 12 . LYS . 18156 1 13 . ARG . 18156 1 14 . SER . 18156 1 15 . GLY . 18156 1 16 . ARG . 18156 1 17 . GLU . 18156 1 18 . ILE . 18156 1 19 . THR . 18156 1 20 . TRP . 18156 1 21 . LYS . 18156 1 22 . ASP . 18156 1 23 . PHE . 18156 1 24 . VAL . 18156 1 25 . ASN . 18156 1 26 . ASN . 18156 1 27 . TYR . 18156 1 28 . LEU . 18156 1 29 . SER . 18156 1 30 . LYS . 18156 1 31 . GLY . 18156 1 32 . VAL . 18156 1 33 . VAL . 18156 1 34 . ASP . 18156 1 35 . ARG . 18156 1 36 . LEU . 18156 1 37 . GLU . 18156 1 38 . VAL . 18156 1 39 . VAL . 18156 1 40 . ASN . 18156 1 41 . LYS . 18156 1 42 . ARG . 18156 1 43 . PHE . 18156 1 44 . VAL . 18156 1 45 . ARG . 18156 1 46 . VAL . 18156 1 47 . THR . 18156 1 48 . PHE . 18156 1 49 . THR . 18156 1 50 . PRO . 18156 1 51 . GLY . 18156 1 52 . LYS . 18156 1 53 . THR . 18156 1 54 . PRO . 18156 1 55 . VAL . 18156 1 56 . ASP . 18156 1 57 . GLY . 18156 1 58 . GLN . 18156 1 59 . TYR . 18156 1 60 . VAL . 18156 1 61 . TRP . 18156 1 62 . PHE . 18156 1 63 . ASN . 18156 1 64 . ILE . 18156 1 65 . GLY . 18156 1 66 . SER . 18156 1 67 . VAL . 18156 1 68 . ASP . 18156 1 69 . THR . 18156 1 70 . PHE . 18156 1 71 . GLU . 18156 1 72 . ARG . 18156 1 73 . ASN . 18156 1 74 . LEU . 18156 1 75 . GLU . 18156 1 76 . THR . 18156 1 77 . LEU . 18156 1 78 . GLN . 18156 1 79 . GLN . 18156 1 80 . GLU . 18156 1 81 . LEU . 18156 1 82 . GLY . 18156 1 83 . ILE . 18156 1 84 . GLU . 18156 1 85 . GLY . 18156 1 86 . GLU . 18156 1 87 . ASN . 18156 1 88 . ARG . 18156 1 89 . VAL . 18156 1 90 . PRO . 18156 1 91 . VAL . 18156 1 92 . VAL . 18156 1 93 . TYR . 18156 1 94 . ILE . 18156 1 95 . ALA . 18156 1 96 . GLU . 18156 1 97 . SER . 18156 1 98 . ASP . 18156 1 99 . GLY . 18156 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 18156 1 . GLY 2 2 18156 1 . HIS 3 3 18156 1 . HIS 4 4 18156 1 . HIS 5 5 18156 1 . HIS 6 6 18156 1 . HIS 7 7 18156 1 . HIS 8 8 18156 1 . SER 9 9 18156 1 . HIS 10 10 18156 1 . MET 11 11 18156 1 . LYS 12 12 18156 1 . ARG 13 13 18156 1 . SER 14 14 18156 1 . GLY 15 15 18156 1 . ARG 16 16 18156 1 . GLU 17 17 18156 1 . ILE 18 18 18156 1 . THR 19 19 18156 1 . TRP 20 20 18156 1 . LYS 21 21 18156 1 . ASP 22 22 18156 1 . PHE 23 23 18156 1 . VAL 24 24 18156 1 . ASN 25 25 18156 1 . ASN 26 26 18156 1 . TYR 27 27 18156 1 . LEU 28 28 18156 1 . SER 29 29 18156 1 . LYS 30 30 18156 1 . GLY 31 31 18156 1 . VAL 32 32 18156 1 . VAL 33 33 18156 1 . ASP 34 34 18156 1 . ARG 35 35 18156 1 . LEU 36 36 18156 1 . GLU 37 37 18156 1 . VAL 38 38 18156 1 . VAL 39 39 18156 1 . ASN 40 40 18156 1 . LYS 41 41 18156 1 . ARG 42 42 18156 1 . PHE 43 43 18156 1 . VAL 44 44 18156 1 . ARG 45 45 18156 1 . VAL 46 46 18156 1 . THR 47 47 18156 1 . PHE 48 48 18156 1 . THR 49 49 18156 1 . PRO 50 50 18156 1 . GLY 51 51 18156 1 . LYS 52 52 18156 1 . THR 53 53 18156 1 . PRO 54 54 18156 1 . VAL 55 55 18156 1 . ASP 56 56 18156 1 . GLY 57 57 18156 1 . GLN 58 58 18156 1 . TYR 59 59 18156 1 . VAL 60 60 18156 1 . TRP 61 61 18156 1 . PHE 62 62 18156 1 . ASN 63 63 18156 1 . ILE 64 64 18156 1 . GLY 65 65 18156 1 . SER 66 66 18156 1 . VAL 67 67 18156 1 . ASP 68 68 18156 1 . THR 69 69 18156 1 . PHE 70 70 18156 1 . GLU 71 71 18156 1 . ARG 72 72 18156 1 . ASN 73 73 18156 1 . LEU 74 74 18156 1 . GLU 75 75 18156 1 . THR 76 76 18156 1 . LEU 77 77 18156 1 . GLN 78 78 18156 1 . GLN 79 79 18156 1 . GLU 80 80 18156 1 . LEU 81 81 18156 1 . GLY 82 82 18156 1 . ILE 83 83 18156 1 . GLU 84 84 18156 1 . GLY 85 85 18156 1 . GLU 86 86 18156 1 . ASN 87 87 18156 1 . ARG 88 88 18156 1 . VAL 89 89 18156 1 . PRO 90 90 18156 1 . VAL 91 91 18156 1 . VAL 92 92 18156 1 . TYR 93 93 18156 1 . ILE 94 94 18156 1 . ALA 95 95 18156 1 . GLU 96 96 18156 1 . SER 97 97 18156 1 . ASP 98 98 18156 1 . GLY 99 99 18156 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 18156 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HR6741A . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . AFG3L2 . . . . 18156 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 18156 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HR6741A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pMgK . . . . . . . . . . . . . . . pET15_NESG . . . . . . 18156 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_HR6741.001 _Sample.Sf_category sample _Sample.Sf_framecode HR6741.001 _Sample.Entry_ID 18156 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.7 mM [U-100% 13C; U-100% 15N] HR6741A, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HR6741A '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $HR6741A . . 0.7 . . mM . . . . 18156 1 2 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 18156 1 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 18156 1 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 18156 1 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18156 1 6 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 18156 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18156 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18156 1 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18156 1 stop_ save_ save_HR6741.002 _Sample.Sf_category sample _Sample.Sf_framecode HR6741.002 _Sample.Entry_ID 18156 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM NC5 HR6741A, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HR6741A NC5 1 $assembly 1 $HR6741A . . 1.0 . . mM . . . . 18156 2 2 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 18156 2 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 18156 2 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 18156 2 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18156 2 6 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 18156 2 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18156 2 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18156 2 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18156 2 stop_ save_ save_HR6741.001_D2O _Sample.Sf_category sample _Sample.Sf_framecode HR6741.001_D2O _Sample.Entry_ID 18156 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.7 mM [U-100% 13C; U-100% 15N] HR6741A, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HR6741A '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $HR6741A . . 0.7 . . mM . . . . 18156 3 2 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 18156 3 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 18156 3 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 18156 3 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18156 3 6 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 18156 3 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18156 3 8 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18156 3 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 18156 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 18156 1 pressure 1 . atm 18156 1 temperature 298 . K 18156 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18156 _Software.ID 1 _Software.Name CNS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18156 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement,structure solution,geometry optimization' 18156 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18156 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18156 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement,geometry optimization,structure solution' 18156 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 18156 _Software.ID 3 _Software.Name AutoStruct _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 18156 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,refinement' 18156 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18156 _Software.ID 4 _Software.Name NMRPipe _Software.Version '2008 linux9' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18156 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18156 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18156 _Software.ID 5 _Software.Name TOPSPIN _Software.Version '2.1.4 and 3.1' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18156 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18156 5 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18156 _Software.ID 6 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18156 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18156 6 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 18156 _Software.ID 7 _Software.Name PINE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 18156 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18156 7 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18156 _Software.ID 8 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18156 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18156 8 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 18156 _Software.ID 9 _Software.Name TALOS+ _Software.Version 1.2009.0721.18 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 18156 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18156 9 stop_ save_ save_PALES _Software.Sf_category software _Software.Sf_framecode PALES _Software.Entry_ID 18156 _Software.ID 10 _Software.Name PALES _Software.Version 2000 _Software.Details pales-linux loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'PALES (Zweckstetter, Bax)' . . 18156 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18156 10 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 18156 _Software.ID 11 _Software.Name PSVS _Software.Version 1.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya, Montelione' . . 18156 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 18156 11 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18156 _Software.ID 12 _Software.Name 'X-PLOR NIH' _Software.Version 2.25 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18156 12 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure determination' 18156 12 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18156 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'at MU' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18156 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'at MU' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18156 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'at MU' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18156 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AvanceIII . 850 'at MU' . . 18156 1 2 spectrometer_2 Varian INOVA . 600 'at MU' . . 18156 1 3 spectrometer_3 Bruker AvanceIII . 600 'at MU' . . 18156 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 18156 _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' yes . . . . . . . . . . 1 $HR6741.001 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18156 1 2 '2D 1H-13C HSQC' yes . . . . . . . . . . 1 $HR6741.001 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18156 1 3 '3D HNCO' yes . . . . . . . . . . 1 $HR6741.001 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18156 1 4 '3D CBCA(CO)NH' yes . . . . . . . . . . 1 $HR6741.001 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18156 1 5 '3D HNCACB' yes . . . . . . . . . . 1 $HR6741.001 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18156 1 6 '3D 1H-13C arom NOESY' yes . . . . . . . . . . 1 $HR6741.001 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18156 1 7 '3D 1H-13C NOESYaliph' yes . . . . . . . . . . 1 $HR6741.001 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18156 1 8 '3D 1H-15N NOESY' yes . . . . . . . . . . 1 $HR6741.001 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18156 1 9 '2D 1H-13C HSQC aliphatic' yes . . . . . . . . . . 2 $HR6741.002 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18156 1 10 '2D 1H-15N hetNOE' yes . . . . . . . . . . 2 $HR6741.002 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18156 1 11 '3D HN(CO)CA' yes . . . . . . . . . . 1 $HR6741.001 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18156 1 12 '3D HCCH-TOCSY' yes . . . . . . . . . . 1 $HR6741.001 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18156 1 13 '3D HCCH-COSY' yes . . . . . . . . . . 1 $HR6741.001 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18156 1 14 '3D H(CCO)NH' no . . . . . . . . . . 1 $HR6741.001 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18156 1 15 '3D C(CO)NH' no . . . . . . . . . . 1 $HR6741.001 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18156 1 16 '3D HBHA(CO)NH' yes . . . . . . . . . . 1 $HR6741.001 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18156 1 17 '4D CC-HMQC-NOESY-HMQC' no . . . . . . . . . . 3 $HR6741.001_D2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18156 1 18 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $HR6741.001_D2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18156 1 19 '3D CCH-TOCSY' yes . . . . . . . . . . 3 $HR6741.001_D2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18156 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 18156 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/6_HR6749B_Nhsqc_hires_10_6_11.850mhz/ . . . . . . . 18156 1 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/6_HR6749B_Nhsqc_hires_10_6_11.850mhz/ . . . . . . . 18156 1 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/6_HR6749B_Nhsqc_hires_10_6_11.850mhz/ . . . . . . . 18156 1 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/6_HR6749B_Nhsqc_hires_10_6_11.850mhz/ . . . . . . . 18156 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 18156 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/10_HR6749B_Chsqc_10_6_11.850mhz/ . . . . . . . 18156 2 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/10_HR6749B_Chsqc_10_6_11.850mhz/ . . . . . . . 18156 2 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/10_HR6749B_Chsqc_10_6_11.850mhz/ . . . . . . . 18156 2 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/10_HR6749B_Chsqc_10_6_11.850mhz/ . . . . . . . 18156 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 18156 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/HR6749B_hnco_9_27_11.fid/ . . . . . . . 18156 3 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/HR6749B_hnco_9_27_11.fid/ . . . . . . . 18156 3 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/HR6749B_hnco_9_27_11.fid/ . . . . . . . 18156 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 18156 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/HR6749B_cbcaconh_9_26_11.fid/ . . . . . . . 18156 4 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/HR6749B_cbcaconh_9_26_11.fid/ . . . . . . . 18156 4 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/HR6749B_cbcaconh_9_26_11.fid/ . . . . . . . 18156 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 18156 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/HR6749B_hncacb_9_24_11.fid/ . . . . . . . 18156 5 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/HR6749B_hncacb_9_24_11.fid/ . . . . . . . 18156 5 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/HR6749B_hncacb_9_24_11.fid/ . . . . . . . 18156 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 18156 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 1H-13C arom NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/54_Cnoesy_arom_100ms_10_18_11.600mhz/ . . . . . . . 18156 6 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/54_Cnoesy_arom_100ms_10_18_11.600mhz/ . . . . . . . 18156 6 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/54_Cnoesy_arom_100ms_10_18_11.600mhz/ . . . . . . . 18156 6 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/54_Cnoesy_arom_100ms_10_18_11.600mhz/ . . . . . . . 18156 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 18156 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D 1H-13C NOESYaliph' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/52_HR6749B_Cnoesy_10_10_11.850mhz/ . . . . . . . 18156 7 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/52_HR6749B_Cnoesy_10_10_11.850mhz/ . . . . . . . 18156 7 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/52_HR6749B_Cnoesy_10_10_11.850mhz/ . . . . . . . 18156 7 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/52_HR6749B_Cnoesy_10_10_11.850mhz/ . . . . . . . 18156 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 18156 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D 1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/50_Nnoesy_10_14_11.850mhz/ . . . . . . . 18156 8 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/50_Nnoesy_10_14_11.850mhz/ . . . . . . . 18156 8 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/50_Nnoesy_10_14_11.850mhz/ . . . . . . . 18156 8 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/50_Nnoesy_10_14_11.850mhz/ . . . . . . . 18156 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 18156 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '2D 1H-13C HSQC aliphatic' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/210_NC5_Chsqc_hires_9_27_11.600mhz/ . . . . . . . 18156 9 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/210_NC5_Chsqc_hires_9_27_11.600mhz/ . . . . . . . 18156 9 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/210_NC5_Chsqc_hires_9_27_11.600mhz/ . . . . . . . 18156 9 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/210_NC5_Chsqc_hires_9_27_11.600mhz/ . . . . . . . 18156 9 stop_ save_ save_NMR_spectrometer_expt_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10 _NMR_spec_expt.Entry_ID 18156 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '2D 1H-15N hetNOE' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/10080_NC5_noSat_hetNOE_9_26_11.600mhz/ . . . . . . . 18156 10 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/10080_NC5_noSat_hetNOE_9_26_11.600mhz/ . . . . . . . 18156 10 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/10080_NC5_noSat_hetNOE_9_26_11.600mhz/ . . . . . . . 18156 10 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/10080_NC5_noSat_hetNOE_9_26_11.600mhz/ . . . . . . . 18156 10 stop_ save_ save_NMR_spectrometer_expt_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_11 _NMR_spec_expt.Entry_ID 18156 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D HN(CO)CA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/HR6749B_hncoca_9_26_11.fid/ . . . . . . . 18156 11 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/HR6749B_hncoca_9_26_11.fid/ . . . . . . . 18156 11 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/HR6749B_hncoca_9_26_11.fid/ . . . . . . . 18156 11 stop_ save_ save_NMR_spectrometer_expt_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_12 _NMR_spec_expt.Entry_ID 18156 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/HR6749B_hcch_tocsy_10_6_11.fid/ . . . . . . . 18156 12 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/HR6749B_hcch_tocsy_10_6_11.fid/ . . . . . . . 18156 12 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/HR6749B_hcch_tocsy_10_6_11.fid/ . . . . . . . 18156 12 stop_ save_ save_NMR_spectrometer_expt_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_13 _NMR_spec_expt.Entry_ID 18156 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D HCCH-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/40_hcch_cosy_Orca_10_20_11.600mhz/ . . . . . . . 18156 13 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/40_hcch_cosy_Orca_10_20_11.600mhz/ . . . . . . . 18156 13 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/40_hcch_cosy_Orca_10_20_11.600mhz/ . . . . . . . 18156 13 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/40_hcch_cosy_Orca_10_20_11.600mhz/ . . . . . . . 18156 13 stop_ save_ save_NMR_spectrometer_expt_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_16 _NMR_spec_expt.Entry_ID 18156 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '3D HBHA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/HR6749B_hbhaconh_9_29_11.fid/ . . . . . . . 18156 14 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/HR6749B_hbhaconh_9_29_11.fid/ . . . . . . . 18156 14 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/HR6749B_hbhaconh_9_29_11.fid/ . . . . . . . 18156 14 stop_ save_ save_NMR_spectrometer_expt_19 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_19 _NMR_spec_expt.Entry_ID 18156 _NMR_spec_expt.ID 19 _NMR_spec_expt.Name '3D CCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/HR6749B_hcc_toc_conh_10_3_11.fid/ . . . . . . . 18156 15 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/HR6749B_hcc_toc_conh_10_3_11.fid/ . . . . . . . 18156 15 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18156/timedomain_data/bmrb18156td/HR6749B_hcc_toc_conh_10_3_11.fid/ . . . . . . . 18156 15 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 18156 _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 . . . . . . . . . 18156 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18156 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18156 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 18156 _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' . . . 18156 1 6 '3D 1H-13C arom NOESY' . . . 18156 1 7 '3D 1H-13C NOESYaliph' . . . 18156 1 8 '3D 1H-15N NOESY' . . . 18156 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLY HA2 H 1 3.80 0.02 . 2 . . . A 2 GLY HA2 . 18156 1 2 . 1 1 2 2 GLY HA3 H 1 3.80 0.02 . 2 . . . A 2 GLY HA3 . 18156 1 3 . 1 1 2 2 GLY CA C 13 43.5 0.2 . 1 . . . A 2 GLY CA . 18156 1 4 . 1 1 10 10 HIS HA H 1 4.59 0.02 . 1 . . . A 10 HIS HA . 18156 1 5 . 1 1 10 10 HIS HB2 H 1 3.10 0.02 . 2 . . . A 10 HIS HB2 . 18156 1 6 . 1 1 10 10 HIS HB3 H 1 3.10 0.02 . 2 . . . A 10 HIS HB3 . 18156 1 7 . 1 1 10 10 HIS C C 13 175.5 0.2 . 1 . . . A 10 HIS C . 18156 1 8 . 1 1 10 10 HIS CA C 13 56.5 0.2 . 1 . . . A 10 HIS CA . 18156 1 9 . 1 1 10 10 HIS CB C 13 30.2 0.2 . 1 . . . A 10 HIS CB . 18156 1 10 . 1 1 11 11 MET H H 1 8.21 0.02 . 1 . . . A 11 MET H . 18156 1 11 . 1 1 11 11 MET HA H 1 4.29 0.02 . 1 . . . A 11 MET HA . 18156 1 12 . 1 1 11 11 MET HB2 H 1 1.85 0.02 . 2 . . . A 11 MET HB2 . 18156 1 13 . 1 1 11 11 MET HB3 H 1 1.85 0.02 . 2 . . . A 11 MET HB3 . 18156 1 14 . 1 1 11 11 MET HG2 H 1 2.33 0.02 . 2 . . . A 11 MET HG2 . 18156 1 15 . 1 1 11 11 MET HG3 H 1 2.33 0.02 . 2 . . . A 11 MET HG3 . 18156 1 16 . 1 1 11 11 MET C C 13 176.3 0.2 . 1 . . . A 11 MET C . 18156 1 17 . 1 1 11 11 MET CA C 13 55.9 0.2 . 1 . . . A 11 MET CA . 18156 1 18 . 1 1 11 11 MET CB C 13 32.7 0.2 . 1 . . . A 11 MET CB . 18156 1 19 . 1 1 11 11 MET CG C 13 31.9 0.2 . 1 . . . A 11 MET CG . 18156 1 20 . 1 1 11 11 MET N N 15 120.9 0.2 . 1 . . . A 11 MET N . 18156 1 21 . 1 1 12 12 LYS H H 1 8.30 0.02 . 1 . . . A 12 LYS H . 18156 1 22 . 1 1 12 12 LYS HA H 1 4.13 0.02 . 1 . . . A 12 LYS HA . 18156 1 23 . 1 1 12 12 LYS HB2 H 1 1.66 0.02 . 2 . . . A 12 LYS HB2 . 18156 1 24 . 1 1 12 12 LYS HB3 H 1 1.66 0.02 . 2 . . . A 12 LYS HB3 . 18156 1 25 . 1 1 12 12 LYS HG2 H 1 1.15 0.02 . 2 . . . A 12 LYS HG2 . 18156 1 26 . 1 1 12 12 LYS HG3 H 1 1.23 0.02 . 2 . . . A 12 LYS HG3 . 18156 1 27 . 1 1 12 12 LYS HD2 H 1 1.46 0.02 . 2 . . . A 12 LYS HD2 . 18156 1 28 . 1 1 12 12 LYS HD3 H 1 1.46 0.02 . 2 . . . A 12 LYS HD3 . 18156 1 29 . 1 1 12 12 LYS HE2 H 1 2.70 0.02 . 2 . . . A 12 LYS HE2 . 18156 1 30 . 1 1 12 12 LYS HE3 H 1 2.70 0.02 . 2 . . . A 12 LYS HE3 . 18156 1 31 . 1 1 12 12 LYS C C 13 176.7 0.2 . 1 . . . A 12 LYS C . 18156 1 32 . 1 1 12 12 LYS CA C 13 56.8 0.2 . 1 . . . A 12 LYS CA . 18156 1 33 . 1 1 12 12 LYS CB C 13 32.8 0.2 . 1 . . . A 12 LYS CB . 18156 1 34 . 1 1 12 12 LYS CG C 13 24.7 0.2 . 1 . . . A 12 LYS CG . 18156 1 35 . 1 1 12 12 LYS CD C 13 29.2 0.2 . 1 . . . A 12 LYS CD . 18156 1 36 . 1 1 12 12 LYS CE C 13 41.9 0.2 . 1 . . . A 12 LYS CE . 18156 1 37 . 1 1 12 12 LYS N N 15 122.1 0.2 . 1 . . . A 12 LYS N . 18156 1 38 . 1 1 13 13 ARG H H 1 8.16 0.02 . 1 . . . A 13 ARG H . 18156 1 39 . 1 1 13 13 ARG HA H 1 4.27 0.02 . 1 . . . A 13 ARG HA . 18156 1 40 . 1 1 13 13 ARG HB2 H 1 1.63 0.02 . 2 . . . A 13 ARG HB2 . 18156 1 41 . 1 1 13 13 ARG HB3 H 1 1.63 0.02 . 2 . . . A 13 ARG HB3 . 18156 1 42 . 1 1 13 13 ARG HG2 H 1 1.36 0.02 . 2 . . . A 13 ARG HG2 . 18156 1 43 . 1 1 13 13 ARG HG3 H 1 1.44 0.02 . 2 . . . A 13 ARG HG3 . 18156 1 44 . 1 1 13 13 ARG HD2 H 1 2.60 0.02 . 2 . . . A 13 ARG HD2 . 18156 1 45 . 1 1 13 13 ARG HD3 H 1 2.66 0.02 . 2 . . . A 13 ARG HD3 . 18156 1 46 . 1 1 13 13 ARG C C 13 176.2 0.2 . 1 . . . A 13 ARG C . 18156 1 47 . 1 1 13 13 ARG CA C 13 56.2 0.2 . 1 . . . A 13 ARG CA . 18156 1 48 . 1 1 13 13 ARG CB C 13 30.8 0.2 . 1 . . . A 13 ARG CB . 18156 1 49 . 1 1 13 13 ARG CG C 13 27.0 0.2 . 1 . . . A 13 ARG CG . 18156 1 50 . 1 1 13 13 ARG CD C 13 43.0 0.2 . 1 . . . A 13 ARG CD . 18156 1 51 . 1 1 13 13 ARG N N 15 121.5 0.2 . 1 . . . A 13 ARG N . 18156 1 52 . 1 1 14 14 SER H H 1 8.16 0.02 . 1 . . . A 14 SER H . 18156 1 53 . 1 1 14 14 SER HA H 1 4.53 0.02 . 1 . . . A 14 SER HA . 18156 1 54 . 1 1 14 14 SER HB2 H 1 3.86 0.02 . 2 . . . A 14 SER HB2 . 18156 1 55 . 1 1 14 14 SER HB3 H 1 3.86 0.02 . 2 . . . A 14 SER HB3 . 18156 1 56 . 1 1 14 14 SER C C 13 173.6 0.2 . 1 . . . A 14 SER C . 18156 1 57 . 1 1 14 14 SER CA C 13 58.3 0.2 . 1 . . . A 14 SER CA . 18156 1 58 . 1 1 14 14 SER CB C 13 64.1 0.2 . 1 . . . A 14 SER CB . 18156 1 59 . 1 1 14 14 SER N N 15 116.7 0.2 . 1 . . . A 14 SER N . 18156 1 60 . 1 1 15 15 GLY H H 1 8.10 0.02 . 1 . . . A 15 GLY H . 18156 1 61 . 1 1 15 15 GLY HA2 H 1 3.57 0.02 . 2 . . . A 15 GLY HA2 . 18156 1 62 . 1 1 15 15 GLY HA3 H 1 4.09 0.02 . 2 . . . A 15 GLY HA3 . 18156 1 63 . 1 1 15 15 GLY C C 13 173.0 0.2 . 1 . . . A 15 GLY C . 18156 1 64 . 1 1 15 15 GLY CA C 13 44.7 0.2 . 1 . . . A 15 GLY CA . 18156 1 65 . 1 1 15 15 GLY N N 15 109.3 0.2 . 1 . . . A 15 GLY N . 18156 1 66 . 1 1 16 16 ARG H H 1 8.46 0.02 . 1 . . . A 16 ARG H . 18156 1 67 . 1 1 16 16 ARG HA H 1 4.53 0.02 . 1 . . . A 16 ARG HA . 18156 1 68 . 1 1 16 16 ARG HB2 H 1 1.71 0.02 . 2 . . . A 16 ARG HB2 . 18156 1 69 . 1 1 16 16 ARG HB3 H 1 1.82 0.02 . 2 . . . A 16 ARG HB3 . 18156 1 70 . 1 1 16 16 ARG HG2 H 1 1.50 0.02 . 2 . . . A 16 ARG HG2 . 18156 1 71 . 1 1 16 16 ARG HG3 H 1 1.57 0.02 . 2 . . . A 16 ARG HG3 . 18156 1 72 . 1 1 16 16 ARG HD2 H 1 3.20 0.02 . 2 . . . A 16 ARG HD2 . 18156 1 73 . 1 1 16 16 ARG HD3 H 1 3.20 0.02 . 2 . . . A 16 ARG HD3 . 18156 1 74 . 1 1 16 16 ARG HE H 1 7.29 0.02 . 1 . . . A 16 ARG HE . 18156 1 75 . 1 1 16 16 ARG C C 13 173.2 0.2 . 1 . . . A 16 ARG C . 18156 1 76 . 1 1 16 16 ARG CA C 13 55.3 0.2 . 1 . . . A 16 ARG CA . 18156 1 77 . 1 1 16 16 ARG CB C 13 32.9 0.2 . 1 . . . A 16 ARG CB . 18156 1 78 . 1 1 16 16 ARG CG C 13 27.4 0.2 . 1 . . . A 16 ARG CG . 18156 1 79 . 1 1 16 16 ARG CD C 13 43.5 0.2 . 1 . . . A 16 ARG CD . 18156 1 80 . 1 1 16 16 ARG N N 15 122.3 0.2 . 1 . . . A 16 ARG N . 18156 1 81 . 1 1 16 16 ARG NE N 15 84.9 0.2 . 1 . . . A 16 ARG NE . 18156 1 82 . 1 1 17 17 GLU H H 1 8.19 0.02 . 1 . . . A 17 GLU H . 18156 1 83 . 1 1 17 17 GLU HA H 1 3.22 0.02 . 1 . . . A 17 GLU HA . 18156 1 84 . 1 1 17 17 GLU HB2 H 1 1.21 0.02 . 2 . . . A 17 GLU HB2 . 18156 1 85 . 1 1 17 17 GLU HB3 H 1 1.48 0.02 . 2 . . . A 17 GLU HB3 . 18156 1 86 . 1 1 17 17 GLU HG2 H 1 0.69 0.02 . 2 . . . A 17 GLU HG2 . 18156 1 87 . 1 1 17 17 GLU HG3 H 1 1.70 0.02 . 2 . . . A 17 GLU HG3 . 18156 1 88 . 1 1 17 17 GLU C C 13 177.0 0.2 . 1 . . . A 17 GLU C . 18156 1 89 . 1 1 17 17 GLU CA C 13 55.0 0.2 . 1 . . . A 17 GLU CA . 18156 1 90 . 1 1 17 17 GLU CB C 13 30.1 0.2 . 1 . . . A 17 GLU CB . 18156 1 91 . 1 1 17 17 GLU CG C 13 35.1 0.2 . 1 . . . A 17 GLU CG . 18156 1 92 . 1 1 17 17 GLU N N 15 126.8 0.2 . 1 . . . A 17 GLU N . 18156 1 93 . 1 1 18 18 ILE H H 1 8.87 0.02 . 1 . . . A 18 ILE H . 18156 1 94 . 1 1 18 18 ILE HA H 1 4.96 0.02 . 1 . . . A 18 ILE HA . 18156 1 95 . 1 1 18 18 ILE HB H 1 2.29 0.02 . 1 . . . A 18 ILE HB . 18156 1 96 . 1 1 18 18 ILE HG12 H 1 1.06 0.02 . 2 . . . A 18 ILE HG12 . 18156 1 97 . 1 1 18 18 ILE HG13 H 1 1.44 0.02 . 2 . . . A 18 ILE HG13 . 18156 1 98 . 1 1 18 18 ILE HG21 H 1 0.97 0.02 . 1 . . . A 18 ILE HG2 . 18156 1 99 . 1 1 18 18 ILE HG22 H 1 0.97 0.02 . 1 . . . A 18 ILE HG2 . 18156 1 100 . 1 1 18 18 ILE HG23 H 1 0.97 0.02 . 1 . . . A 18 ILE HG2 . 18156 1 101 . 1 1 18 18 ILE HD11 H 1 0.88 0.02 . 1 . . . A 18 ILE HD1 . 18156 1 102 . 1 1 18 18 ILE HD12 H 1 0.88 0.02 . 1 . . . A 18 ILE HD1 . 18156 1 103 . 1 1 18 18 ILE HD13 H 1 0.88 0.02 . 1 . . . A 18 ILE HD1 . 18156 1 104 . 1 1 18 18 ILE C C 13 174.6 0.2 . 1 . . . A 18 ILE C . 18156 1 105 . 1 1 18 18 ILE CA C 13 59.2 0.2 . 1 . . . A 18 ILE CA . 18156 1 106 . 1 1 18 18 ILE CB C 13 41.9 0.2 . 1 . . . A 18 ILE CB . 18156 1 107 . 1 1 18 18 ILE CG1 C 13 25.4 0.2 . 1 . . . A 18 ILE CG1 . 18156 1 108 . 1 1 18 18 ILE CG2 C 13 17.5 0.2 . 1 . . . A 18 ILE CG2 . 18156 1 109 . 1 1 18 18 ILE CD1 C 13 15.4 0.2 . 1 . . . A 18 ILE CD1 . 18156 1 110 . 1 1 18 18 ILE N N 15 122.6 0.2 . 1 . . . A 18 ILE N . 18156 1 111 . 1 1 19 19 THR H H 1 8.14 0.02 . 1 . . . A 19 THR H . 18156 1 112 . 1 1 19 19 THR HA H 1 4.76 0.02 . 1 . . . A 19 THR HA . 18156 1 113 . 1 1 19 19 THR HB H 1 4.76 0.02 . 1 . . . A 19 THR HB . 18156 1 114 . 1 1 19 19 THR HG1 H 1 5.17 0.02 . 1 . . . A 19 THR HG1 . 18156 1 115 . 1 1 19 19 THR HG21 H 1 1.36 0.02 . 1 . . . A 19 THR HG2 . 18156 1 116 . 1 1 19 19 THR HG22 H 1 1.36 0.02 . 1 . . . A 19 THR HG2 . 18156 1 117 . 1 1 19 19 THR HG23 H 1 1.36 0.02 . 1 . . . A 19 THR HG2 . 18156 1 118 . 1 1 19 19 THR C C 13 175.4 0.2 . 1 . . . A 19 THR C . 18156 1 119 . 1 1 19 19 THR CA C 13 59.8 0.2 . 1 . . . A 19 THR CA . 18156 1 120 . 1 1 19 19 THR CB C 13 72.1 0.2 . 1 . . . A 19 THR CB . 18156 1 121 . 1 1 19 19 THR CG2 C 13 21.8 0.2 . 1 . . . A 19 THR CG2 . 18156 1 122 . 1 1 19 19 THR N N 15 108.7 0.2 . 1 . . . A 19 THR N . 18156 1 123 . 1 1 20 20 TRP H H 1 9.06 0.02 . 1 . . . A 20 TRP H . 18156 1 124 . 1 1 20 20 TRP HA H 1 3.90 0.02 . 1 . . . A 20 TRP HA . 18156 1 125 . 1 1 20 20 TRP HB2 H 1 3.22 0.02 . 2 . . . A 20 TRP HB2 . 18156 1 126 . 1 1 20 20 TRP HB3 H 1 3.43 0.02 . 2 . . . A 20 TRP HB3 . 18156 1 127 . 1 1 20 20 TRP HD1 H 1 7.20 0.02 . 1 . . . A 20 TRP HD1 . 18156 1 128 . 1 1 20 20 TRP HE1 H 1 10.34 0.02 . 1 . . . A 20 TRP HE1 . 18156 1 129 . 1 1 20 20 TRP HZ2 H 1 7.30 0.02 . 1 . . . A 20 TRP HZ2 . 18156 1 130 . 1 1 20 20 TRP HZ3 H 1 7.21 0.02 . 1 . . . A 20 TRP HZ3 . 18156 1 131 . 1 1 20 20 TRP HH2 H 1 6.98 0.02 . 1 . . . A 20 TRP HH2 . 18156 1 132 . 1 1 20 20 TRP C C 13 176.6 0.2 . 1 . . . A 20 TRP C . 18156 1 133 . 1 1 20 20 TRP CA C 13 60.0 0.2 . 1 . . . A 20 TRP CA . 18156 1 134 . 1 1 20 20 TRP CB C 13 29.3 0.2 . 1 . . . A 20 TRP CB . 18156 1 135 . 1 1 20 20 TRP CD1 C 13 127.9 0.2 . 1 . . . A 20 TRP CD1 . 18156 1 136 . 1 1 20 20 TRP CZ2 C 13 114.7 0.2 . 1 . . . A 20 TRP CZ2 . 18156 1 137 . 1 1 20 20 TRP CZ3 C 13 121.2 0.2 . 1 . . . A 20 TRP CZ3 . 18156 1 138 . 1 1 20 20 TRP CH2 C 13 122.3 0.2 . 1 . . . A 20 TRP CH2 . 18156 1 139 . 1 1 20 20 TRP N N 15 121.9 0.2 . 1 . . . A 20 TRP N . 18156 1 140 . 1 1 20 20 TRP NE1 N 15 129.6 0.2 . 1 . . . A 20 TRP NE1 . 18156 1 141 . 1 1 21 21 LYS H H 1 8.32 0.02 . 1 . . . A 21 LYS H . 18156 1 142 . 1 1 21 21 LYS HA H 1 3.66 0.02 . 1 . . . A 21 LYS HA . 18156 1 143 . 1 1 21 21 LYS HB2 H 1 1.69 0.02 . 2 . . . A 21 LYS HB2 . 18156 1 144 . 1 1 21 21 LYS HB3 H 1 1.88 0.02 . 2 . . . A 21 LYS HB3 . 18156 1 145 . 1 1 21 21 LYS HG2 H 1 1.41 0.02 . 2 . . . A 21 LYS HG2 . 18156 1 146 . 1 1 21 21 LYS HG3 H 1 1.52 0.02 . 2 . . . A 21 LYS HG3 . 18156 1 147 . 1 1 21 21 LYS HD2 H 1 1.70 0.02 . 2 . . . A 21 LYS HD2 . 18156 1 148 . 1 1 21 21 LYS HD3 H 1 1.70 0.02 . 2 . . . A 21 LYS HD3 . 18156 1 149 . 1 1 21 21 LYS HE2 H 1 3.01 0.02 . 2 . . . A 21 LYS HE2 . 18156 1 150 . 1 1 21 21 LYS HE3 H 1 3.01 0.02 . 2 . . . A 21 LYS HE3 . 18156 1 151 . 1 1 21 21 LYS C C 13 178.2 0.2 . 1 . . . A 21 LYS C . 18156 1 152 . 1 1 21 21 LYS CA C 13 59.7 0.2 . 1 . . . A 21 LYS CA . 18156 1 153 . 1 1 21 21 LYS CB C 13 32.2 0.2 . 1 . . . A 21 LYS CB . 18156 1 154 . 1 1 21 21 LYS CG C 13 25.0 0.2 . 1 . . . A 21 LYS CG . 18156 1 155 . 1 1 21 21 LYS CD C 13 29.3 0.2 . 1 . . . A 21 LYS CD . 18156 1 156 . 1 1 21 21 LYS CE C 13 42.0 0.2 . 1 . . . A 21 LYS CE . 18156 1 157 . 1 1 21 21 LYS N N 15 116.9 0.2 . 1 . . . A 21 LYS N . 18156 1 158 . 1 1 22 22 ASP H H 1 7.67 0.02 . 1 . . . A 22 ASP H . 18156 1 159 . 1 1 22 22 ASP HA H 1 4.27 0.02 . 1 . . . A 22 ASP HA . 18156 1 160 . 1 1 22 22 ASP HB2 H 1 2.82 0.02 . 2 . . . A 22 ASP HB2 . 18156 1 161 . 1 1 22 22 ASP HB3 H 1 2.93 0.02 . 2 . . . A 22 ASP HB3 . 18156 1 162 . 1 1 22 22 ASP C C 13 178.5 0.2 . 1 . . . A 22 ASP C . 18156 1 163 . 1 1 22 22 ASP CA C 13 57.0 0.2 . 1 . . . A 22 ASP CA . 18156 1 164 . 1 1 22 22 ASP CB C 13 41.3 0.2 . 1 . . . A 22 ASP CB . 18156 1 165 . 1 1 22 22 ASP N N 15 119.0 0.2 . 1 . . . A 22 ASP N . 18156 1 166 . 1 1 23 23 PHE H H 1 8.43 0.02 . 1 . . . A 23 PHE H . 18156 1 167 . 1 1 23 23 PHE HA H 1 4.25 0.02 . 1 . . . A 23 PHE HA . 18156 1 168 . 1 1 23 23 PHE HB2 H 1 2.77 0.02 . 2 . . . A 23 PHE HB2 . 18156 1 169 . 1 1 23 23 PHE HB3 H 1 2.98 0.02 . 2 . . . A 23 PHE HB3 . 18156 1 170 . 1 1 23 23 PHE HD2 H 1 6.61 0.02 . 3 . . . A 23 PHE HD2 . 18156 1 171 . 1 1 23 23 PHE HD1 H 1 6.61 0.02 . 3 . . . A 23 PHE HD1 . 18156 1 172 . 1 1 23 23 PHE HE2 H 1 7.11 0.02 . 3 . . . A 23 PHE HE2 . 18156 1 173 . 1 1 23 23 PHE HE1 H 1 7.11 0.02 . 3 . . . A 23 PHE HE1 . 18156 1 174 . 1 1 23 23 PHE HZ H 1 7.23 0.02 . 1 . . . A 23 PHE HZ . 18156 1 175 . 1 1 23 23 PHE C C 13 177.5 0.2 . 1 . . . A 23 PHE C . 18156 1 176 . 1 1 23 23 PHE CA C 13 60.8 0.2 . 1 . . . A 23 PHE CA . 18156 1 177 . 1 1 23 23 PHE CB C 13 37.6 0.2 . 1 . . . A 23 PHE CB . 18156 1 178 . 1 1 23 23 PHE CD2 C 13 132.9 0.2 . 3 . . . A 23 PHE CD2 . 18156 1 179 . 1 1 23 23 PHE CD1 C 13 132.9 0.2 . 3 . . . A 23 PHE CD1 . 18156 1 180 . 1 1 23 23 PHE CE2 C 13 130.5 0.2 . 3 . . . A 23 PHE CE2 . 18156 1 181 . 1 1 23 23 PHE CE1 C 13 130.5 0.2 . 3 . . . A 23 PHE CE1 . 18156 1 182 . 1 1 23 23 PHE CZ C 13 129.4 0.2 . 1 . . . A 23 PHE CZ . 18156 1 183 . 1 1 23 23 PHE N N 15 120.0 0.2 . 1 . . . A 23 PHE N . 18156 1 184 . 1 1 24 24 VAL H H 1 8.25 0.02 . 1 . . . A 24 VAL H . 18156 1 185 . 1 1 24 24 VAL HA H 1 2.73 0.02 . 1 . . . A 24 VAL HA . 18156 1 186 . 1 1 24 24 VAL HB H 1 1.66 0.02 . 1 . . . A 24 VAL HB . 18156 1 187 . 1 1 24 24 VAL HG11 H 1 0.64 0.02 . 1 . . . A 24 VAL HG1 . 18156 1 188 . 1 1 24 24 VAL HG12 H 1 0.64 0.02 . 1 . . . A 24 VAL HG1 . 18156 1 189 . 1 1 24 24 VAL HG13 H 1 0.64 0.02 . 1 . . . A 24 VAL HG1 . 18156 1 190 . 1 1 24 24 VAL HG21 H 1 0.05 0.02 . 1 . . . A 24 VAL HG2 . 18156 1 191 . 1 1 24 24 VAL HG22 H 1 0.05 0.02 . 1 . . . A 24 VAL HG2 . 18156 1 192 . 1 1 24 24 VAL HG23 H 1 0.05 0.02 . 1 . . . A 24 VAL HG2 . 18156 1 193 . 1 1 24 24 VAL C C 13 178.2 0.2 . 1 . . . A 24 VAL C . 18156 1 194 . 1 1 24 24 VAL CA C 13 66.9 0.2 . 1 . . . A 24 VAL CA . 18156 1 195 . 1 1 24 24 VAL CB C 13 32.1 0.2 . 1 . . . A 24 VAL CB . 18156 1 196 . 1 1 24 24 VAL CG1 C 13 21.4 0.2 . 1 . . . A 24 VAL CG1 . 18156 1 197 . 1 1 24 24 VAL CG2 C 13 22.0 0.2 . 1 . . . A 24 VAL CG2 . 18156 1 198 . 1 1 24 24 VAL N N 15 120.7 0.2 . 1 . . . A 24 VAL N . 18156 1 199 . 1 1 25 25 ASN H H 1 8.26 0.02 . 1 . . . A 25 ASN H . 18156 1 200 . 1 1 25 25 ASN HA H 1 4.20 0.02 . 1 . . . A 25 ASN HA . 18156 1 201 . 1 1 25 25 ASN HB2 H 1 2.60 0.02 . 2 . . . A 25 ASN HB2 . 18156 1 202 . 1 1 25 25 ASN HB3 H 1 2.70 0.02 . 2 . . . A 25 ASN HB3 . 18156 1 203 . 1 1 25 25 ASN HD21 H 1 7.54 0.02 . 1 . . . A 25 ASN HD21 . 18156 1 204 . 1 1 25 25 ASN HD22 H 1 6.90 0.02 . 1 . . . A 25 ASN HD22 . 18156 1 205 . 1 1 25 25 ASN C C 13 176.2 0.2 . 1 . . . A 25 ASN C . 18156 1 206 . 1 1 25 25 ASN CA C 13 56.0 0.2 . 1 . . . A 25 ASN CA . 18156 1 207 . 1 1 25 25 ASN CB C 13 38.7 0.2 . 1 . . . A 25 ASN CB . 18156 1 208 . 1 1 25 25 ASN CG C 13 175.9 0.2 . 1 . . . A 25 ASN CG . 18156 1 209 . 1 1 25 25 ASN N N 15 116.7 0.2 . 1 . . . A 25 ASN N . 18156 1 210 . 1 1 25 25 ASN ND2 N 15 111.9 0.2 . 1 . . . A 25 ASN ND2 . 18156 1 211 . 1 1 26 26 ASN H H 1 8.49 0.02 . 1 . . . A 26 ASN H . 18156 1 212 . 1 1 26 26 ASN HA H 1 4.60 0.02 . 1 . . . A 26 ASN HA . 18156 1 213 . 1 1 26 26 ASN HB2 H 1 2.00 0.02 . 2 . . . A 26 ASN HB2 . 18156 1 214 . 1 1 26 26 ASN HB3 H 1 2.35 0.02 . 2 . . . A 26 ASN HB3 . 18156 1 215 . 1 1 26 26 ASN HD21 H 1 7.61 0.02 . 1 . . . A 26 ASN HD21 . 18156 1 216 . 1 1 26 26 ASN HD22 H 1 6.92 0.02 . 1 . . . A 26 ASN HD22 . 18156 1 217 . 1 1 26 26 ASN C C 13 174.5 0.2 . 1 . . . A 26 ASN C . 18156 1 218 . 1 1 26 26 ASN CA C 13 53.6 0.2 . 1 . . . A 26 ASN CA . 18156 1 219 . 1 1 26 26 ASN CB C 13 38.8 0.2 . 1 . . . A 26 ASN CB . 18156 1 220 . 1 1 26 26 ASN CG C 13 176.8 0.2 . 1 . . . A 26 ASN CG . 18156 1 221 . 1 1 26 26 ASN N N 15 112.3 0.2 . 1 . . . A 26 ASN N . 18156 1 222 . 1 1 26 26 ASN ND2 N 15 113.7 0.2 . 1 . . . A 26 ASN ND2 . 18156 1 223 . 1 1 27 27 TYR H H 1 7.00 0.02 . 1 . . . A 27 TYR H . 18156 1 224 . 1 1 27 27 TYR HA H 1 4.83 0.02 . 1 . . . A 27 TYR HA . 18156 1 225 . 1 1 27 27 TYR HB2 H 1 2.69 0.02 . 2 . . . A 27 TYR HB2 . 18156 1 226 . 1 1 27 27 TYR HB3 H 1 3.02 0.02 . 2 . . . A 27 TYR HB3 . 18156 1 227 . 1 1 27 27 TYR HD2 H 1 7.14 0.02 . 3 . . . A 27 TYR HD2 . 18156 1 228 . 1 1 27 27 TYR HD1 H 1 7.14 0.02 . 3 . . . A 27 TYR HD1 . 18156 1 229 . 1 1 27 27 TYR HE2 H 1 6.80 0.02 . 3 . . . A 27 TYR HE2 . 18156 1 230 . 1 1 27 27 TYR HE1 H 1 6.80 0.02 . 3 . . . A 27 TYR HE1 . 18156 1 231 . 1 1 27 27 TYR C C 13 176.5 0.2 . 1 . . . A 27 TYR C . 18156 1 232 . 1 1 27 27 TYR CA C 13 58.2 0.2 . 1 . . . A 27 TYR CA . 18156 1 233 . 1 1 27 27 TYR CB C 13 39.3 0.2 . 1 . . . A 27 TYR CB . 18156 1 234 . 1 1 27 27 TYR CD2 C 13 133.2 0.2 . 3 . . . A 27 TYR CD2 . 18156 1 235 . 1 1 27 27 TYR CD1 C 13 133.2 0.2 . 3 . . . A 27 TYR CD1 . 18156 1 236 . 1 1 27 27 TYR CE2 C 13 118.2 0.2 . 3 . . . A 27 TYR CE2 . 18156 1 237 . 1 1 27 27 TYR CE1 C 13 118.2 0.2 . 3 . . . A 27 TYR CE1 . 18156 1 238 . 1 1 27 27 TYR N N 15 113.7 0.2 . 1 . . . A 27 TYR N . 18156 1 239 . 1 1 28 28 LEU H H 1 8.18 0.02 . 1 . . . A 28 LEU H . 18156 1 240 . 1 1 28 28 LEU HA H 1 3.83 0.02 . 1 . . . A 28 LEU HA . 18156 1 241 . 1 1 28 28 LEU HB2 H 1 0.47 0.02 . 2 . . . A 28 LEU HB2 . 18156 1 242 . 1 1 28 28 LEU HB3 H 1 1.36 0.02 . 2 . . . A 28 LEU HB3 . 18156 1 243 . 1 1 28 28 LEU HG H 1 1.37 0.02 . 1 . . . A 28 LEU HG . 18156 1 244 . 1 1 28 28 LEU HD11 H 1 0.90 0.02 . 1 . . . A 28 LEU HD1 . 18156 1 245 . 1 1 28 28 LEU HD12 H 1 0.90 0.02 . 1 . . . A 28 LEU HD1 . 18156 1 246 . 1 1 28 28 LEU HD13 H 1 0.90 0.02 . 1 . . . A 28 LEU HD1 . 18156 1 247 . 1 1 28 28 LEU HD21 H 1 0.73 0.02 . 1 . . . A 28 LEU HD2 . 18156 1 248 . 1 1 28 28 LEU HD22 H 1 0.73 0.02 . 1 . . . A 28 LEU HD2 . 18156 1 249 . 1 1 28 28 LEU HD23 H 1 0.73 0.02 . 1 . . . A 28 LEU HD2 . 18156 1 250 . 1 1 28 28 LEU C C 13 179.7 0.2 . 1 . . . A 28 LEU C . 18156 1 251 . 1 1 28 28 LEU CA C 13 58.3 0.2 . 1 . . . A 28 LEU CA . 18156 1 252 . 1 1 28 28 LEU CB C 13 41.4 0.2 . 1 . . . A 28 LEU CB . 18156 1 253 . 1 1 28 28 LEU CG C 13 26.9 0.2 . 1 . . . A 28 LEU CG . 18156 1 254 . 1 1 28 28 LEU CD1 C 13 22.9 0.2 . 1 . . . A 28 LEU CD1 . 18156 1 255 . 1 1 28 28 LEU CD2 C 13 26.5 0.2 . 1 . . . A 28 LEU CD2 . 18156 1 256 . 1 1 28 28 LEU N N 15 122.7 0.2 . 1 . . . A 28 LEU N . 18156 1 257 . 1 1 29 29 SER H H 1 7.94 0.02 . 1 . . . A 29 SER H . 18156 1 258 . 1 1 29 29 SER HA H 1 4.12 0.02 . 1 . . . A 29 SER HA . 18156 1 259 . 1 1 29 29 SER HB2 H 1 3.82 0.02 . 2 . . . A 29 SER HB2 . 18156 1 260 . 1 1 29 29 SER HB3 H 1 3.98 0.02 . 2 . . . A 29 SER HB3 . 18156 1 261 . 1 1 29 29 SER C C 13 174.0 0.2 . 1 . . . A 29 SER C . 18156 1 262 . 1 1 29 29 SER CA C 13 60.3 0.2 . 1 . . . A 29 SER CA . 18156 1 263 . 1 1 29 29 SER CB C 13 63.1 0.2 . 1 . . . A 29 SER CB . 18156 1 264 . 1 1 29 29 SER N N 15 109.3 0.2 . 1 . . . A 29 SER N . 18156 1 265 . 1 1 30 30 LYS H H 1 6.68 0.02 . 1 . . . A 30 LYS H . 18156 1 266 . 1 1 30 30 LYS HA H 1 4.46 0.02 . 1 . . . A 30 LYS HA . 18156 1 267 . 1 1 30 30 LYS HB2 H 1 1.57 0.02 . 2 . . . A 30 LYS HB2 . 18156 1 268 . 1 1 30 30 LYS HB3 H 1 2.05 0.02 . 2 . . . A 30 LYS HB3 . 18156 1 269 . 1 1 30 30 LYS HG2 H 1 1.15 0.02 . 2 . . . A 30 LYS HG2 . 18156 1 270 . 1 1 30 30 LYS HG3 H 1 1.35 0.02 . 2 . . . A 30 LYS HG3 . 18156 1 271 . 1 1 30 30 LYS HD2 H 1 1.55 0.02 . 2 . . . A 30 LYS HD2 . 18156 1 272 . 1 1 30 30 LYS HD3 H 1 1.55 0.02 . 2 . . . A 30 LYS HD3 . 18156 1 273 . 1 1 30 30 LYS HE2 H 1 2.98 0.02 . 2 . . . A 30 LYS HE2 . 18156 1 274 . 1 1 30 30 LYS HE3 H 1 2.98 0.02 . 2 . . . A 30 LYS HE3 . 18156 1 275 . 1 1 30 30 LYS C C 13 177.2 0.2 . 1 . . . A 30 LYS C . 18156 1 276 . 1 1 30 30 LYS CA C 13 54.8 0.2 . 1 . . . A 30 LYS CA . 18156 1 277 . 1 1 30 30 LYS CB C 13 33.0 0.2 . 1 . . . A 30 LYS CB . 18156 1 278 . 1 1 30 30 LYS CG C 13 24.9 0.2 . 1 . . . A 30 LYS CG . 18156 1 279 . 1 1 30 30 LYS CD C 13 28.0 0.2 . 1 . . . A 30 LYS CD . 18156 1 280 . 1 1 30 30 LYS CE C 13 42.4 0.2 . 1 . . . A 30 LYS CE . 18156 1 281 . 1 1 30 30 LYS N N 15 117.2 0.2 . 1 . . . A 30 LYS N . 18156 1 282 . 1 1 31 31 GLY H H 1 7.66 0.02 . 1 . . . A 31 GLY H . 18156 1 283 . 1 1 31 31 GLY HA2 H 1 4.05 0.02 . 2 . . . A 31 GLY HA2 . 18156 1 284 . 1 1 31 31 GLY HA3 H 1 4.14 0.02 . 2 . . . A 31 GLY HA3 . 18156 1 285 . 1 1 31 31 GLY C C 13 175.7 0.2 . 1 . . . A 31 GLY C . 18156 1 286 . 1 1 31 31 GLY CA C 13 47.4 0.2 . 1 . . . A 31 GLY CA . 18156 1 287 . 1 1 31 31 GLY N N 15 107.1 0.2 . 1 . . . A 31 GLY N . 18156 1 288 . 1 1 32 32 VAL H H 1 6.91 0.02 . 1 . . . A 32 VAL H . 18156 1 289 . 1 1 32 32 VAL HA H 1 4.63 0.02 . 1 . . . A 32 VAL HA . 18156 1 290 . 1 1 32 32 VAL HB H 1 2.77 0.02 . 1 . . . A 32 VAL HB . 18156 1 291 . 1 1 32 32 VAL HG11 H 1 0.95 0.02 . 1 . . . A 32 VAL HG1 . 18156 1 292 . 1 1 32 32 VAL HG12 H 1 0.95 0.02 . 1 . . . A 32 VAL HG1 . 18156 1 293 . 1 1 32 32 VAL HG13 H 1 0.95 0.02 . 1 . . . A 32 VAL HG1 . 18156 1 294 . 1 1 32 32 VAL HG21 H 1 1.15 0.02 . 1 . . . A 32 VAL HG2 . 18156 1 295 . 1 1 32 32 VAL HG22 H 1 1.15 0.02 . 1 . . . A 32 VAL HG2 . 18156 1 296 . 1 1 32 32 VAL HG23 H 1 1.15 0.02 . 1 . . . A 32 VAL HG2 . 18156 1 297 . 1 1 32 32 VAL C C 13 174.8 0.2 . 1 . . . A 32 VAL C . 18156 1 298 . 1 1 32 32 VAL CA C 13 60.8 0.2 . 1 . . . A 32 VAL CA . 18156 1 299 . 1 1 32 32 VAL CB C 13 32.1 0.2 . 1 . . . A 32 VAL CB . 18156 1 300 . 1 1 32 32 VAL CG1 C 13 21.6 0.2 . 1 . . . A 32 VAL CG1 . 18156 1 301 . 1 1 32 32 VAL CG2 C 13 19.1 0.2 . 1 . . . A 32 VAL CG2 . 18156 1 302 . 1 1 32 32 VAL N N 15 107.3 0.2 . 1 . . . A 32 VAL N . 18156 1 303 . 1 1 33 33 VAL H H 1 8.18 0.02 . 1 . . . A 33 VAL H . 18156 1 304 . 1 1 33 33 VAL HA H 1 4.00 0.02 . 1 . . . A 33 VAL HA . 18156 1 305 . 1 1 33 33 VAL HB H 1 2.33 0.02 . 1 . . . A 33 VAL HB . 18156 1 306 . 1 1 33 33 VAL HG11 H 1 0.98 0.02 . 1 . . . A 33 VAL HG1 . 18156 1 307 . 1 1 33 33 VAL HG12 H 1 0.98 0.02 . 1 . . . A 33 VAL HG1 . 18156 1 308 . 1 1 33 33 VAL HG13 H 1 0.98 0.02 . 1 . . . A 33 VAL HG1 . 18156 1 309 . 1 1 33 33 VAL HG21 H 1 0.89 0.02 . 1 . . . A 33 VAL HG2 . 18156 1 310 . 1 1 33 33 VAL HG22 H 1 0.89 0.02 . 1 . . . A 33 VAL HG2 . 18156 1 311 . 1 1 33 33 VAL HG23 H 1 0.89 0.02 . 1 . . . A 33 VAL HG2 . 18156 1 312 . 1 1 33 33 VAL C C 13 174.5 0.2 . 1 . . . A 33 VAL C . 18156 1 313 . 1 1 33 33 VAL CA C 13 63.3 0.2 . 1 . . . A 33 VAL CA . 18156 1 314 . 1 1 33 33 VAL CB C 13 32.1 0.2 . 1 . . . A 33 VAL CB . 18156 1 315 . 1 1 33 33 VAL CG1 C 13 22.8 0.2 . 1 . . . A 33 VAL CG1 . 18156 1 316 . 1 1 33 33 VAL CG2 C 13 23.1 0.2 . 1 . . . A 33 VAL CG2 . 18156 1 317 . 1 1 33 33 VAL N N 15 122.0 0.2 . 1 . . . A 33 VAL N . 18156 1 318 . 1 1 34 34 ASP H H 1 9.15 0.02 . 1 . . . A 34 ASP H . 18156 1 319 . 1 1 34 34 ASP HA H 1 4.76 0.02 . 1 . . . A 34 ASP HA . 18156 1 320 . 1 1 34 34 ASP HB2 H 1 2.27 0.02 . 2 . . . A 34 ASP HB2 . 18156 1 321 . 1 1 34 34 ASP HB3 H 1 2.40 0.02 . 2 . . . A 34 ASP HB3 . 18156 1 322 . 1 1 34 34 ASP C C 13 175.4 0.2 . 1 . . . A 34 ASP C . 18156 1 323 . 1 1 34 34 ASP CA C 13 55.3 0.2 . 1 . . . A 34 ASP CA . 18156 1 324 . 1 1 34 34 ASP CB C 13 43.6 0.2 . 1 . . . A 34 ASP CB . 18156 1 325 . 1 1 34 34 ASP N N 15 128.2 0.2 . 1 . . . A 34 ASP N . 18156 1 326 . 1 1 35 35 ARG H H 1 7.44 0.02 . 1 . . . A 35 ARG H . 18156 1 327 . 1 1 35 35 ARG HA H 1 4.62 0.02 . 1 . . . A 35 ARG HA . 18156 1 328 . 1 1 35 35 ARG HB2 H 1 1.73 0.02 . 2 . . . A 35 ARG HB2 . 18156 1 329 . 1 1 35 35 ARG HB3 H 1 1.81 0.02 . 2 . . . A 35 ARG HB3 . 18156 1 330 . 1 1 35 35 ARG HG2 H 1 1.35 0.02 . 2 . . . A 35 ARG HG2 . 18156 1 331 . 1 1 35 35 ARG HG3 H 1 1.48 0.02 . 2 . . . A 35 ARG HG3 . 18156 1 332 . 1 1 35 35 ARG HD2 H 1 3.01 0.02 . 2 . . . A 35 ARG HD2 . 18156 1 333 . 1 1 35 35 ARG HD3 H 1 3.08 0.02 . 2 . . . A 35 ARG HD3 . 18156 1 334 . 1 1 35 35 ARG HE H 1 7.39 0.02 . 1 . . . A 35 ARG HE . 18156 1 335 . 1 1 35 35 ARG C C 13 172.9 0.2 . 1 . . . A 35 ARG C . 18156 1 336 . 1 1 35 35 ARG CA C 13 55.3 0.2 . 1 . . . A 35 ARG CA . 18156 1 337 . 1 1 35 35 ARG CB C 13 33.1 0.2 . 1 . . . A 35 ARG CB . 18156 1 338 . 1 1 35 35 ARG CG C 13 26.5 0.2 . 1 . . . A 35 ARG CG . 18156 1 339 . 1 1 35 35 ARG CD C 13 43.9 0.2 . 1 . . . A 35 ARG CD . 18156 1 340 . 1 1 35 35 ARG N N 15 112.2 0.2 . 1 . . . A 35 ARG N . 18156 1 341 . 1 1 35 35 ARG NE N 15 84.5 0.2 . 1 . . . A 35 ARG NE . 18156 1 342 . 1 1 36 36 LEU H H 1 8.41 0.02 . 1 . . . A 36 LEU H . 18156 1 343 . 1 1 36 36 LEU HA H 1 5.02 0.02 . 1 . . . A 36 LEU HA . 18156 1 344 . 1 1 36 36 LEU HB2 H 1 1.17 0.02 . 2 . . . A 36 LEU HB2 . 18156 1 345 . 1 1 36 36 LEU HB3 H 1 1.95 0.02 . 2 . . . A 36 LEU HB3 . 18156 1 346 . 1 1 36 36 LEU HG H 1 1.70 0.02 . 1 . . . A 36 LEU HG . 18156 1 347 . 1 1 36 36 LEU HD11 H 1 1.19 0.02 . 1 . . . A 36 LEU HD1 . 18156 1 348 . 1 1 36 36 LEU HD12 H 1 1.19 0.02 . 1 . . . A 36 LEU HD1 . 18156 1 349 . 1 1 36 36 LEU HD13 H 1 1.19 0.02 . 1 . . . A 36 LEU HD1 . 18156 1 350 . 1 1 36 36 LEU HD21 H 1 1.04 0.02 . 1 . . . A 36 LEU HD2 . 18156 1 351 . 1 1 36 36 LEU HD22 H 1 1.04 0.02 . 1 . . . A 36 LEU HD2 . 18156 1 352 . 1 1 36 36 LEU HD23 H 1 1.04 0.02 . 1 . . . A 36 LEU HD2 . 18156 1 353 . 1 1 36 36 LEU C C 13 174.8 0.2 . 1 . . . A 36 LEU C . 18156 1 354 . 1 1 36 36 LEU CA C 13 53.0 0.2 . 1 . . . A 36 LEU CA . 18156 1 355 . 1 1 36 36 LEU CB C 13 43.9 0.2 . 1 . . . A 36 LEU CB . 18156 1 356 . 1 1 36 36 LEU CG C 13 26.6 0.2 . 1 . . . A 36 LEU CG . 18156 1 357 . 1 1 36 36 LEU CD1 C 13 27.2 0.2 . 1 . . . A 36 LEU CD1 . 18156 1 358 . 1 1 36 36 LEU CD2 C 13 25.6 0.2 . 1 . . . A 36 LEU CD2 . 18156 1 359 . 1 1 36 36 LEU N N 15 120.4 0.2 . 1 . . . A 36 LEU N . 18156 1 360 . 1 1 37 37 GLU H H 1 8.47 0.02 . 1 . . . A 37 GLU H . 18156 1 361 . 1 1 37 37 GLU HA H 1 4.93 0.02 . 1 . . . A 37 GLU HA . 18156 1 362 . 1 1 37 37 GLU HB2 H 1 1.45 0.02 . 2 . . . A 37 GLU HB2 . 18156 1 363 . 1 1 37 37 GLU HB3 H 1 1.80 0.02 . 2 . . . A 37 GLU HB3 . 18156 1 364 . 1 1 37 37 GLU HG2 H 1 1.81 0.02 . 2 . . . A 37 GLU HG2 . 18156 1 365 . 1 1 37 37 GLU HG3 H 1 2.02 0.02 . 2 . . . A 37 GLU HG3 . 18156 1 366 . 1 1 37 37 GLU C C 13 174.4 0.2 . 1 . . . A 37 GLU C . 18156 1 367 . 1 1 37 37 GLU CA C 13 53.3 0.2 . 1 . . . A 37 GLU CA . 18156 1 368 . 1 1 37 37 GLU CB C 13 31.7 0.2 . 1 . . . A 37 GLU CB . 18156 1 369 . 1 1 37 37 GLU CG C 13 36.2 0.2 . 1 . . . A 37 GLU CG . 18156 1 370 . 1 1 37 37 GLU N N 15 120.8 0.2 . 1 . . . A 37 GLU N . 18156 1 371 . 1 1 38 38 VAL H H 1 9.13 0.02 . 1 . . . A 38 VAL H . 18156 1 372 . 1 1 38 38 VAL HA H 1 4.01 0.02 . 1 . . . A 38 VAL HA . 18156 1 373 . 1 1 38 38 VAL HB H 1 1.62 0.02 . 1 . . . A 38 VAL HB . 18156 1 374 . 1 1 38 38 VAL HG11 H 1 0.54 0.02 . 1 . . . A 38 VAL HG1 . 18156 1 375 . 1 1 38 38 VAL HG12 H 1 0.54 0.02 . 1 . . . A 38 VAL HG1 . 18156 1 376 . 1 1 38 38 VAL HG13 H 1 0.54 0.02 . 1 . . . A 38 VAL HG1 . 18156 1 377 . 1 1 38 38 VAL HG21 H 1 0.38 0.02 . 1 . . . A 38 VAL HG2 . 18156 1 378 . 1 1 38 38 VAL HG22 H 1 0.38 0.02 . 1 . . . A 38 VAL HG2 . 18156 1 379 . 1 1 38 38 VAL HG23 H 1 0.38 0.02 . 1 . . . A 38 VAL HG2 . 18156 1 380 . 1 1 38 38 VAL C C 13 175.5 0.2 . 1 . . . A 38 VAL C . 18156 1 381 . 1 1 38 38 VAL CA C 13 61.4 0.2 . 1 . . . A 38 VAL CA . 18156 1 382 . 1 1 38 38 VAL CB C 13 30.8 0.2 . 1 . . . A 38 VAL CB . 18156 1 383 . 1 1 38 38 VAL CG1 C 13 21.1 0.2 . 1 . . . A 38 VAL CG1 . 18156 1 384 . 1 1 38 38 VAL CG2 C 13 21.0 0.2 . 1 . . . A 38 VAL CG2 . 18156 1 385 . 1 1 38 38 VAL N N 15 125.6 0.2 . 1 . . . A 38 VAL N . 18156 1 386 . 1 1 39 39 VAL H H 1 9.04 0.02 . 1 . . . A 39 VAL H . 18156 1 387 . 1 1 39 39 VAL HA H 1 4.18 0.02 . 1 . . . A 39 VAL HA . 18156 1 388 . 1 1 39 39 VAL HB H 1 0.30 0.02 . 1 . . . A 39 VAL HB . 18156 1 389 . 1 1 39 39 VAL HG11 H 1 0.46 0.02 . 1 . . . A 39 VAL HG1 . 18156 1 390 . 1 1 39 39 VAL HG12 H 1 0.46 0.02 . 1 . . . A 39 VAL HG1 . 18156 1 391 . 1 1 39 39 VAL HG13 H 1 0.46 0.02 . 1 . . . A 39 VAL HG1 . 18156 1 392 . 1 1 39 39 VAL HG21 H 1 0.23 0.02 . 1 . . . A 39 VAL HG2 . 18156 1 393 . 1 1 39 39 VAL HG22 H 1 0.23 0.02 . 1 . . . A 39 VAL HG2 . 18156 1 394 . 1 1 39 39 VAL HG23 H 1 0.23 0.02 . 1 . . . A 39 VAL HG2 . 18156 1 395 . 1 1 39 39 VAL C C 13 175.6 0.2 . 1 . . . A 39 VAL C . 18156 1 396 . 1 1 39 39 VAL CA C 13 61.7 0.2 . 1 . . . A 39 VAL CA . 18156 1 397 . 1 1 39 39 VAL CB C 13 30.8 0.2 . 1 . . . A 39 VAL CB . 18156 1 398 . 1 1 39 39 VAL CG1 C 13 21.9 0.2 . 1 . . . A 39 VAL CG1 . 18156 1 399 . 1 1 39 39 VAL CG2 C 13 19.9 0.2 . 1 . . . A 39 VAL CG2 . 18156 1 400 . 1 1 39 39 VAL N N 15 131.7 0.2 . 1 . . . A 39 VAL N . 18156 1 401 . 1 1 40 40 ASN H H 1 9.06 0.02 . 1 . . . A 40 ASN H . 18156 1 402 . 1 1 40 40 ASN HA H 1 4.46 0.02 . 1 . . . A 40 ASN HA . 18156 1 403 . 1 1 40 40 ASN HB2 H 1 2.83 0.02 . 2 . . . A 40 ASN HB2 . 18156 1 404 . 1 1 40 40 ASN HB3 H 1 3.14 0.02 . 2 . . . A 40 ASN HB3 . 18156 1 405 . 1 1 40 40 ASN HD21 H 1 7.55 0.02 . 1 . . . A 40 ASN HD21 . 18156 1 406 . 1 1 40 40 ASN HD22 H 1 7.41 0.02 . 1 . . . A 40 ASN HD22 . 18156 1 407 . 1 1 40 40 ASN C C 13 173.3 0.2 . 1 . . . A 40 ASN C . 18156 1 408 . 1 1 40 40 ASN CA C 13 54.1 0.2 . 1 . . . A 40 ASN CA . 18156 1 409 . 1 1 40 40 ASN CB C 13 37.0 0.2 . 1 . . . A 40 ASN CB . 18156 1 410 . 1 1 40 40 ASN CG C 13 178.2 0.2 . 1 . . . A 40 ASN CG . 18156 1 411 . 1 1 40 40 ASN N N 15 125.0 0.2 . 1 . . . A 40 ASN N . 18156 1 412 . 1 1 40 40 ASN ND2 N 15 112.7 0.2 . 1 . . . A 40 ASN ND2 . 18156 1 413 . 1 1 41 41 LYS H H 1 9.25 0.02 . 1 . . . A 41 LYS H . 18156 1 414 . 1 1 41 41 LYS HA H 1 3.24 0.02 . 1 . . . A 41 LYS HA . 18156 1 415 . 1 1 41 41 LYS HB2 H 1 1.97 0.02 . 2 . . . A 41 LYS HB2 . 18156 1 416 . 1 1 41 41 LYS HB3 H 1 2.04 0.02 . 2 . . . A 41 LYS HB3 . 18156 1 417 . 1 1 41 41 LYS HG2 H 1 1.19 0.02 . 2 . . . A 41 LYS HG2 . 18156 1 418 . 1 1 41 41 LYS HG3 H 1 1.46 0.02 . 2 . . . A 41 LYS HG3 . 18156 1 419 . 1 1 41 41 LYS HD2 H 1 1.64 0.02 . 2 . . . A 41 LYS HD2 . 18156 1 420 . 1 1 41 41 LYS HD3 H 1 1.72 0.02 . 2 . . . A 41 LYS HD3 . 18156 1 421 . 1 1 41 41 LYS HE2 H 1 2.92 0.02 . 2 . . . A 41 LYS HE2 . 18156 1 422 . 1 1 41 41 LYS HE3 H 1 2.92 0.02 . 2 . . . A 41 LYS HE3 . 18156 1 423 . 1 1 41 41 LYS C C 13 175.0 0.2 . 1 . . . A 41 LYS C . 18156 1 424 . 1 1 41 41 LYS CA C 13 58.3 0.2 . 1 . . . A 41 LYS CA . 18156 1 425 . 1 1 41 41 LYS CB C 13 30.6 0.2 . 1 . . . A 41 LYS CB . 18156 1 426 . 1 1 41 41 LYS CG C 13 25.9 0.2 . 1 . . . A 41 LYS CG . 18156 1 427 . 1 1 41 41 LYS CD C 13 29.5 0.2 . 1 . . . A 41 LYS CD . 18156 1 428 . 1 1 41 41 LYS CE C 13 42.3 0.2 . 1 . . . A 41 LYS CE . 18156 1 429 . 1 1 41 41 LYS N N 15 109.9 0.2 . 1 . . . A 41 LYS N . 18156 1 430 . 1 1 42 42 ARG H H 1 8.11 0.02 . 1 . . . A 42 ARG H . 18156 1 431 . 1 1 42 42 ARG HA H 1 4.71 0.02 . 1 . . . A 42 ARG HA . 18156 1 432 . 1 1 42 42 ARG HB2 H 1 1.74 0.02 . 2 . . . A 42 ARG HB2 . 18156 1 433 . 1 1 42 42 ARG HB3 H 1 1.89 0.02 . 2 . . . A 42 ARG HB3 . 18156 1 434 . 1 1 42 42 ARG HG2 H 1 1.73 0.02 . 2 . . . A 42 ARG HG2 . 18156 1 435 . 1 1 42 42 ARG HG3 H 1 1.80 0.02 . 2 . . . A 42 ARG HG3 . 18156 1 436 . 1 1 42 42 ARG HD2 H 1 3.30 0.02 . 2 . . . A 42 ARG HD2 . 18156 1 437 . 1 1 42 42 ARG HD3 H 1 3.30 0.02 . 2 . . . A 42 ARG HD3 . 18156 1 438 . 1 1 42 42 ARG HE H 1 6.84 0.02 . 1 . . . A 42 ARG HE . 18156 1 439 . 1 1 42 42 ARG C C 13 174.9 0.2 . 1 . . . A 42 ARG C . 18156 1 440 . 1 1 42 42 ARG CA C 13 57.2 0.2 . 1 . . . A 42 ARG CA . 18156 1 441 . 1 1 42 42 ARG CB C 13 34.2 0.2 . 1 . . . A 42 ARG CB . 18156 1 442 . 1 1 42 42 ARG CG C 13 27.5 0.2 . 1 . . . A 42 ARG CG . 18156 1 443 . 1 1 42 42 ARG CD C 13 43.4 0.2 . 1 . . . A 42 ARG CD . 18156 1 444 . 1 1 42 42 ARG N N 15 115.8 0.2 . 1 . . . A 42 ARG N . 18156 1 445 . 1 1 43 43 PHE H H 1 7.61 0.02 . 1 . . . A 43 PHE H . 18156 1 446 . 1 1 43 43 PHE HA H 1 5.16 0.02 . 1 . . . A 43 PHE HA . 18156 1 447 . 1 1 43 43 PHE HB2 H 1 3.08 0.02 . 2 . . . A 43 PHE HB2 . 18156 1 448 . 1 1 43 43 PHE HB3 H 1 3.30 0.02 . 2 . . . A 43 PHE HB3 . 18156 1 449 . 1 1 43 43 PHE HD2 H 1 6.85 0.02 . 3 . . . A 43 PHE HD2 . 18156 1 450 . 1 1 43 43 PHE HD1 H 1 6.85 0.02 . 3 . . . A 43 PHE HD1 . 18156 1 451 . 1 1 43 43 PHE HE2 H 1 6.95 0.02 . 3 . . . A 43 PHE HE2 . 18156 1 452 . 1 1 43 43 PHE HE1 H 1 6.95 0.02 . 3 . . . A 43 PHE HE1 . 18156 1 453 . 1 1 43 43 PHE HZ H 1 6.95 0.02 . 1 . . . A 43 PHE HZ . 18156 1 454 . 1 1 43 43 PHE C C 13 171.2 0.2 . 1 . . . A 43 PHE C . 18156 1 455 . 1 1 43 43 PHE CA C 13 55.7 0.2 . 1 . . . A 43 PHE CA . 18156 1 456 . 1 1 43 43 PHE CB C 13 41.1 0.2 . 1 . . . A 43 PHE CB . 18156 1 457 . 1 1 43 43 PHE CD2 C 13 132.3 0.2 . 3 . . . A 43 PHE CD2 . 18156 1 458 . 1 1 43 43 PHE CD1 C 13 132.3 0.2 . 3 . . . A 43 PHE CD1 . 18156 1 459 . 1 1 43 43 PHE CE2 C 13 130.4 0.2 . 3 . . . A 43 PHE CE2 . 18156 1 460 . 1 1 43 43 PHE CE1 C 13 130.4 0.2 . 3 . . . A 43 PHE CE1 . 18156 1 461 . 1 1 43 43 PHE CZ C 13 129.9 0.2 . 1 . . . A 43 PHE CZ . 18156 1 462 . 1 1 43 43 PHE N N 15 115.1 0.2 . 1 . . . A 43 PHE N . 18156 1 463 . 1 1 44 44 VAL H H 1 9.03 0.02 . 1 . . . A 44 VAL H . 18156 1 464 . 1 1 44 44 VAL HA H 1 4.59 0.02 . 1 . . . A 44 VAL HA . 18156 1 465 . 1 1 44 44 VAL HB H 1 0.04 0.02 . 1 . . . A 44 VAL HB . 18156 1 466 . 1 1 44 44 VAL HG11 H 1 0.24 0.02 . 1 . . . A 44 VAL HG1 . 18156 1 467 . 1 1 44 44 VAL HG12 H 1 0.24 0.02 . 1 . . . A 44 VAL HG1 . 18156 1 468 . 1 1 44 44 VAL HG13 H 1 0.24 0.02 . 1 . . . A 44 VAL HG1 . 18156 1 469 . 1 1 44 44 VAL HG21 H 1 -0.15 0.02 . 1 . . . A 44 VAL HG2 . 18156 1 470 . 1 1 44 44 VAL HG22 H 1 -0.15 0.02 . 1 . . . A 44 VAL HG2 . 18156 1 471 . 1 1 44 44 VAL HG23 H 1 -0.15 0.02 . 1 . . . A 44 VAL HG2 . 18156 1 472 . 1 1 44 44 VAL C C 13 174.6 0.2 . 1 . . . A 44 VAL C . 18156 1 473 . 1 1 44 44 VAL CA C 13 59.8 0.2 . 1 . . . A 44 VAL CA . 18156 1 474 . 1 1 44 44 VAL CB C 13 32.9 0.2 . 1 . . . A 44 VAL CB . 18156 1 475 . 1 1 44 44 VAL CG1 C 13 23.4 0.2 . 1 . . . A 44 VAL CG1 . 18156 1 476 . 1 1 44 44 VAL CG2 C 13 22.1 0.2 . 1 . . . A 44 VAL CG2 . 18156 1 477 . 1 1 44 44 VAL N N 15 121.2 0.2 . 1 . . . A 44 VAL N . 18156 1 478 . 1 1 45 45 ARG H H 1 9.32 0.02 . 1 . . . A 45 ARG H . 18156 1 479 . 1 1 45 45 ARG HA H 1 4.96 0.02 . 1 . . . A 45 ARG HA . 18156 1 480 . 1 1 45 45 ARG HB2 H 1 1.62 0.02 . 2 . . . A 45 ARG HB2 . 18156 1 481 . 1 1 45 45 ARG HB3 H 1 1.73 0.02 . 2 . . . A 45 ARG HB3 . 18156 1 482 . 1 1 45 45 ARG HG2 H 1 1.40 0.02 . 2 . . . A 45 ARG HG2 . 18156 1 483 . 1 1 45 45 ARG HG3 H 1 1.47 0.02 . 2 . . . A 45 ARG HG3 . 18156 1 484 . 1 1 45 45 ARG HD2 H 1 2.60 0.02 . 2 . . . A 45 ARG HD2 . 18156 1 485 . 1 1 45 45 ARG HD3 H 1 2.76 0.02 . 2 . . . A 45 ARG HD3 . 18156 1 486 . 1 1 45 45 ARG HE H 1 6.75 0.02 . 1 . . . A 45 ARG HE . 18156 1 487 . 1 1 45 45 ARG C C 13 175.4 0.2 . 1 . . . A 45 ARG C . 18156 1 488 . 1 1 45 45 ARG CA C 13 55.0 0.2 . 1 . . . A 45 ARG CA . 18156 1 489 . 1 1 45 45 ARG CB C 13 33.2 0.2 . 1 . . . A 45 ARG CB . 18156 1 490 . 1 1 45 45 ARG CG C 13 28.1 0.2 . 1 . . . A 45 ARG CG . 18156 1 491 . 1 1 45 45 ARG CD C 13 43.5 0.2 . 1 . . . A 45 ARG CD . 18156 1 492 . 1 1 45 45 ARG N N 15 125.0 0.2 . 1 . . . A 45 ARG N . 18156 1 493 . 1 1 45 45 ARG NE N 15 82.9 0.2 . 1 . . . A 45 ARG NE . 18156 1 494 . 1 1 46 46 VAL H H 1 8.77 0.02 . 1 . . . A 46 VAL H . 18156 1 495 . 1 1 46 46 VAL HA H 1 4.11 0.02 . 1 . . . A 46 VAL HA . 18156 1 496 . 1 1 46 46 VAL HB H 1 1.99 0.02 . 1 . . . A 46 VAL HB . 18156 1 497 . 1 1 46 46 VAL HG11 H 1 0.52 0.02 . 1 . . . A 46 VAL HG1 . 18156 1 498 . 1 1 46 46 VAL HG12 H 1 0.52 0.02 . 1 . . . A 46 VAL HG1 . 18156 1 499 . 1 1 46 46 VAL HG13 H 1 0.52 0.02 . 1 . . . A 46 VAL HG1 . 18156 1 500 . 1 1 46 46 VAL HG21 H 1 0.81 0.02 . 1 . . . A 46 VAL HG2 . 18156 1 501 . 1 1 46 46 VAL HG22 H 1 0.81 0.02 . 1 . . . A 46 VAL HG2 . 18156 1 502 . 1 1 46 46 VAL HG23 H 1 0.81 0.02 . 1 . . . A 46 VAL HG2 . 18156 1 503 . 1 1 46 46 VAL C C 13 174.7 0.2 . 1 . . . A 46 VAL C . 18156 1 504 . 1 1 46 46 VAL CA C 13 62.2 0.2 . 1 . . . A 46 VAL CA . 18156 1 505 . 1 1 46 46 VAL CB C 13 33.1 0.2 . 1 . . . A 46 VAL CB . 18156 1 506 . 1 1 46 46 VAL CG1 C 13 22.5 0.2 . 1 . . . A 46 VAL CG1 . 18156 1 507 . 1 1 46 46 VAL CG2 C 13 22.0 0.2 . 1 . . . A 46 VAL CG2 . 18156 1 508 . 1 1 46 46 VAL N N 15 127.2 0.2 . 1 . . . A 46 VAL N . 18156 1 509 . 1 1 47 47 THR H H 1 8.11 0.02 . 1 . . . A 47 THR H . 18156 1 510 . 1 1 47 47 THR HA H 1 4.70 0.02 . 1 . . . A 47 THR HA . 18156 1 511 . 1 1 47 47 THR HB H 1 4.14 0.02 . 1 . . . A 47 THR HB . 18156 1 512 . 1 1 47 47 THR HG21 H 1 1.22 0.02 . 1 . . . A 47 THR HG2 . 18156 1 513 . 1 1 47 47 THR HG22 H 1 1.22 0.02 . 1 . . . A 47 THR HG2 . 18156 1 514 . 1 1 47 47 THR HG23 H 1 1.22 0.02 . 1 . . . A 47 THR HG2 . 18156 1 515 . 1 1 47 47 THR C C 13 174.5 0.2 . 1 . . . A 47 THR C . 18156 1 516 . 1 1 47 47 THR CA C 13 61.3 0.2 . 1 . . . A 47 THR CA . 18156 1 517 . 1 1 47 47 THR CB C 13 69.8 0.2 . 1 . . . A 47 THR CB . 18156 1 518 . 1 1 47 47 THR CG2 C 13 21.5 0.2 . 1 . . . A 47 THR CG2 . 18156 1 519 . 1 1 47 47 THR N N 15 120.8 0.2 . 1 . . . A 47 THR N . 18156 1 520 . 1 1 48 48 PHE H H 1 9.00 0.02 . 1 . . . A 48 PHE H . 18156 1 521 . 1 1 48 48 PHE HA H 1 5.35 0.02 . 1 . . . A 48 PHE HA . 18156 1 522 . 1 1 48 48 PHE HB2 H 1 2.95 0.02 . 2 . . . A 48 PHE HB2 . 18156 1 523 . 1 1 48 48 PHE HB3 H 1 3.24 0.02 . 2 . . . A 48 PHE HB3 . 18156 1 524 . 1 1 48 48 PHE HD2 H 1 7.40 0.02 . 3 . . . A 48 PHE HD2 . 18156 1 525 . 1 1 48 48 PHE HD1 H 1 7.40 0.02 . 3 . . . A 48 PHE HD1 . 18156 1 526 . 1 1 48 48 PHE HE2 H 1 7.14 0.02 . 3 . . . A 48 PHE HE2 . 18156 1 527 . 1 1 48 48 PHE HE1 H 1 7.14 0.02 . 3 . . . A 48 PHE HE1 . 18156 1 528 . 1 1 48 48 PHE HZ H 1 6.72 0.02 . 1 . . . A 48 PHE HZ . 18156 1 529 . 1 1 48 48 PHE C C 13 176.0 0.2 . 1 . . . A 48 PHE C . 18156 1 530 . 1 1 48 48 PHE CA C 13 57.3 0.2 . 1 . . . A 48 PHE CA . 18156 1 531 . 1 1 48 48 PHE CB C 13 41.4 0.2 . 1 . . . A 48 PHE CB . 18156 1 532 . 1 1 48 48 PHE CD2 C 13 132.2 0.2 . 3 . . . A 48 PHE CD2 . 18156 1 533 . 1 1 48 48 PHE CD1 C 13 132.2 0.2 . 3 . . . A 48 PHE CD1 . 18156 1 534 . 1 1 48 48 PHE CE2 C 13 131.0 0.2 . 3 . . . A 48 PHE CE2 . 18156 1 535 . 1 1 48 48 PHE CE1 C 13 131.0 0.2 . 3 . . . A 48 PHE CE1 . 18156 1 536 . 1 1 48 48 PHE CZ C 13 129.0 0.2 . 1 . . . A 48 PHE CZ . 18156 1 537 . 1 1 48 48 PHE N N 15 125.7 0.2 . 1 . . . A 48 PHE N . 18156 1 538 . 1 1 49 49 THR H H 1 8.62 0.02 . 1 . . . A 49 THR H . 18156 1 539 . 1 1 49 49 THR HA H 1 4.33 0.02 . 1 . . . A 49 THR HA . 18156 1 540 . 1 1 49 49 THR HB H 1 3.99 0.02 . 1 . . . A 49 THR HB . 18156 1 541 . 1 1 49 49 THR HG21 H 1 1.31 0.02 . 1 . . . A 49 THR HG2 . 18156 1 542 . 1 1 49 49 THR HG22 H 1 1.31 0.02 . 1 . . . A 49 THR HG2 . 18156 1 543 . 1 1 49 49 THR HG23 H 1 1.31 0.02 . 1 . . . A 49 THR HG2 . 18156 1 544 . 1 1 49 49 THR CA C 13 61.2 0.2 . 1 . . . A 49 THR CA . 18156 1 545 . 1 1 49 49 THR CB C 13 69.4 0.2 . 1 . . . A 49 THR CB . 18156 1 546 . 1 1 49 49 THR CG2 C 13 21.8 0.2 . 1 . . . A 49 THR CG2 . 18156 1 547 . 1 1 49 49 THR N N 15 118.9 0.2 . 1 . . . A 49 THR N . 18156 1 548 . 1 1 50 50 PRO HA H 1 4.36 0.02 . 1 . . . A 50 PRO HA . 18156 1 549 . 1 1 50 50 PRO HB2 H 1 1.96 0.02 . 2 . . . A 50 PRO HB2 . 18156 1 550 . 1 1 50 50 PRO HB3 H 1 2.36 0.02 . 2 . . . A 50 PRO HB3 . 18156 1 551 . 1 1 50 50 PRO HG2 H 1 2.05 0.02 . 2 . . . A 50 PRO HG2 . 18156 1 552 . 1 1 50 50 PRO HG3 H 1 2.17 0.02 . 2 . . . A 50 PRO HG3 . 18156 1 553 . 1 1 50 50 PRO HD2 H 1 3.73 0.02 . 2 . . . A 50 PRO HD2 . 18156 1 554 . 1 1 50 50 PRO HD3 H 1 4.02 0.02 . 2 . . . A 50 PRO HD3 . 18156 1 555 . 1 1 50 50 PRO C C 13 177.7 0.2 . 1 . . . A 50 PRO C . 18156 1 556 . 1 1 50 50 PRO CA C 13 64.5 0.2 . 1 . . . A 50 PRO CA . 18156 1 557 . 1 1 50 50 PRO CB C 13 31.8 0.2 . 1 . . . A 50 PRO CB . 18156 1 558 . 1 1 50 50 PRO CG C 13 27.9 0.2 . 1 . . . A 50 PRO CG . 18156 1 559 . 1 1 50 50 PRO CD C 13 51.4 0.2 . 1 . . . A 50 PRO CD . 18156 1 560 . 1 1 51 51 GLY H H 1 8.88 0.02 . 1 . . . A 51 GLY H . 18156 1 561 . 1 1 51 51 GLY HA2 H 1 3.88 0.02 . 2 . . . A 51 GLY HA2 . 18156 1 562 . 1 1 51 51 GLY HA3 H 1 4.24 0.02 . 2 . . . A 51 GLY HA3 . 18156 1 563 . 1 1 51 51 GLY C C 13 175.2 0.2 . 1 . . . A 51 GLY C . 18156 1 564 . 1 1 51 51 GLY CA C 13 45.4 0.2 . 1 . . . A 51 GLY CA . 18156 1 565 . 1 1 51 51 GLY N N 15 111.3 0.2 . 1 . . . A 51 GLY N . 18156 1 566 . 1 1 52 52 LYS H H 1 8.11 0.02 . 1 . . . A 52 LYS H . 18156 1 567 . 1 1 52 52 LYS HA H 1 4.57 0.02 . 1 . . . A 52 LYS HA . 18156 1 568 . 1 1 52 52 LYS HB2 H 1 1.95 0.02 . 2 . . . A 52 LYS HB2 . 18156 1 569 . 1 1 52 52 LYS HB3 H 1 2.08 0.02 . 2 . . . A 52 LYS HB3 . 18156 1 570 . 1 1 52 52 LYS HG2 H 1 1.30 0.02 . 2 . . . A 52 LYS HG2 . 18156 1 571 . 1 1 52 52 LYS HG3 H 1 1.39 0.02 . 2 . . . A 52 LYS HG3 . 18156 1 572 . 1 1 52 52 LYS HD2 H 1 1.61 0.02 . 2 . . . A 52 LYS HD2 . 18156 1 573 . 1 1 52 52 LYS HD3 H 1 1.71 0.02 . 2 . . . A 52 LYS HD3 . 18156 1 574 . 1 1 52 52 LYS HE2 H 1 2.98 0.02 . 2 . . . A 52 LYS HE2 . 18156 1 575 . 1 1 52 52 LYS HE3 H 1 2.98 0.02 . 2 . . . A 52 LYS HE3 . 18156 1 576 . 1 1 52 52 LYS C C 13 175.8 0.2 . 1 . . . A 52 LYS C . 18156 1 577 . 1 1 52 52 LYS CA C 13 54.8 0.2 . 1 . . . A 52 LYS CA . 18156 1 578 . 1 1 52 52 LYS CB C 13 32.6 0.2 . 1 . . . A 52 LYS CB . 18156 1 579 . 1 1 52 52 LYS CG C 13 25.0 0.2 . 1 . . . A 52 LYS CG . 18156 1 580 . 1 1 52 52 LYS CD C 13 28.8 0.2 . 1 . . . A 52 LYS CD . 18156 1 581 . 1 1 52 52 LYS CE C 13 42.3 0.2 . 1 . . . A 52 LYS CE . 18156 1 582 . 1 1 52 52 LYS N N 15 118.9 0.2 . 1 . . . A 52 LYS N . 18156 1 583 . 1 1 53 53 THR H H 1 7.70 0.02 . 1 . . . A 53 THR H . 18156 1 584 . 1 1 53 53 THR HA H 1 4.18 0.02 . 1 . . . A 53 THR HA . 18156 1 585 . 1 1 53 53 THR HB H 1 4.11 0.02 . 1 . . . A 53 THR HB . 18156 1 586 . 1 1 53 53 THR HG21 H 1 1.20 0.02 . 1 . . . A 53 THR HG2 . 18156 1 587 . 1 1 53 53 THR HG22 H 1 1.20 0.02 . 1 . . . A 53 THR HG2 . 18156 1 588 . 1 1 53 53 THR HG23 H 1 1.20 0.02 . 1 . . . A 53 THR HG2 . 18156 1 589 . 1 1 53 53 THR CA C 13 60.4 0.2 . 1 . . . A 53 THR CA . 18156 1 590 . 1 1 53 53 THR CB C 13 69.1 0.2 . 1 . . . A 53 THR CB . 18156 1 591 . 1 1 53 53 THR CG2 C 13 21.5 0.2 . 1 . . . A 53 THR CG2 . 18156 1 592 . 1 1 53 53 THR N N 15 114.7 0.2 . 1 . . . A 53 THR N . 18156 1 593 . 1 1 54 54 PRO HA H 1 4.41 0.02 . 1 . . . A 54 PRO HA . 18156 1 594 . 1 1 54 54 PRO HB2 H 1 1.94 0.02 . 2 . . . A 54 PRO HB2 . 18156 1 595 . 1 1 54 54 PRO HB3 H 1 2.28 0.02 . 2 . . . A 54 PRO HB3 . 18156 1 596 . 1 1 54 54 PRO HG2 H 1 1.71 0.02 . 2 . . . A 54 PRO HG2 . 18156 1 597 . 1 1 54 54 PRO HG3 H 1 1.80 0.02 . 2 . . . A 54 PRO HG3 . 18156 1 598 . 1 1 54 54 PRO HD2 H 1 3.09 0.02 . 2 . . . A 54 PRO HD2 . 18156 1 599 . 1 1 54 54 PRO HD3 H 1 3.23 0.02 . 2 . . . A 54 PRO HD3 . 18156 1 600 . 1 1 54 54 PRO C C 13 177.5 0.2 . 1 . . . A 54 PRO C . 18156 1 601 . 1 1 54 54 PRO CA C 13 63.2 0.2 . 1 . . . A 54 PRO CA . 18156 1 602 . 1 1 54 54 PRO CB C 13 32.3 0.2 . 1 . . . A 54 PRO CB . 18156 1 603 . 1 1 54 54 PRO CG C 13 27.7 0.2 . 1 . . . A 54 PRO CG . 18156 1 604 . 1 1 54 54 PRO CD C 13 50.7 0.2 . 1 . . . A 54 PRO CD . 18156 1 605 . 1 1 55 55 VAL H H 1 8.19 0.02 . 1 . . . A 55 VAL H . 18156 1 606 . 1 1 55 55 VAL HA H 1 4.00 0.02 . 1 . . . A 55 VAL HA . 18156 1 607 . 1 1 55 55 VAL HB H 1 2.09 0.02 . 1 . . . A 55 VAL HB . 18156 1 608 . 1 1 55 55 VAL HG11 H 1 0.94 0.02 . 1 . . . A 55 VAL HG1 . 18156 1 609 . 1 1 55 55 VAL HG12 H 1 0.94 0.02 . 1 . . . A 55 VAL HG1 . 18156 1 610 . 1 1 55 55 VAL HG13 H 1 0.94 0.02 . 1 . . . A 55 VAL HG1 . 18156 1 611 . 1 1 55 55 VAL HG21 H 1 0.94 0.02 . 1 . . . A 55 VAL HG2 . 18156 1 612 . 1 1 55 55 VAL HG22 H 1 0.94 0.02 . 1 . . . A 55 VAL HG2 . 18156 1 613 . 1 1 55 55 VAL HG23 H 1 0.94 0.02 . 1 . . . A 55 VAL HG2 . 18156 1 614 . 1 1 55 55 VAL C C 13 176.0 0.2 . 1 . . . A 55 VAL C . 18156 1 615 . 1 1 55 55 VAL CA C 13 63.3 0.2 . 1 . . . A 55 VAL CA . 18156 1 616 . 1 1 55 55 VAL CB C 13 32.4 0.2 . 1 . . . A 55 VAL CB . 18156 1 617 . 1 1 55 55 VAL CG1 C 13 20.9 0.2 . 1 . . . A 55 VAL CG1 . 18156 1 618 . 1 1 55 55 VAL CG2 C 13 20.7 0.2 . 1 . . . A 55 VAL CG2 . 18156 1 619 . 1 1 55 55 VAL N N 15 119.3 0.2 . 1 . . . A 55 VAL N . 18156 1 620 . 1 1 56 56 ASP H H 1 8.17 0.02 . 1 . . . A 56 ASP H . 18156 1 621 . 1 1 56 56 ASP HA H 1 4.57 0.02 . 1 . . . A 56 ASP HA . 18156 1 622 . 1 1 56 56 ASP HB2 H 1 2.67 0.02 . 2 . . . A 56 ASP HB2 . 18156 1 623 . 1 1 56 56 ASP HB3 H 1 2.80 0.02 . 2 . . . A 56 ASP HB3 . 18156 1 624 . 1 1 56 56 ASP C C 13 177.0 0.2 . 1 . . . A 56 ASP C . 18156 1 625 . 1 1 56 56 ASP CA C 13 54.3 0.2 . 1 . . . A 56 ASP CA . 18156 1 626 . 1 1 56 56 ASP CB C 13 40.7 0.2 . 1 . . . A 56 ASP CB . 18156 1 627 . 1 1 56 56 ASP N N 15 120.3 0.2 . 1 . . . A 56 ASP N . 18156 1 628 . 1 1 57 57 GLY H H 1 8.11 0.02 . 1 . . . A 57 GLY H . 18156 1 629 . 1 1 57 57 GLY HA2 H 1 3.88 0.02 . 2 . . . A 57 GLY HA2 . 18156 1 630 . 1 1 57 57 GLY HA3 H 1 4.00 0.02 . 2 . . . A 57 GLY HA3 . 18156 1 631 . 1 1 57 57 GLY C C 13 173.7 0.2 . 1 . . . A 57 GLY C . 18156 1 632 . 1 1 57 57 GLY CA C 13 45.8 0.2 . 1 . . . A 57 GLY CA . 18156 1 633 . 1 1 57 57 GLY N N 15 108.3 0.2 . 1 . . . A 57 GLY N . 18156 1 634 . 1 1 58 58 GLN H H 1 8.07 0.02 . 1 . . . A 58 GLN H . 18156 1 635 . 1 1 58 58 GLN HA H 1 4.50 0.02 . 1 . . . A 58 GLN HA . 18156 1 636 . 1 1 58 58 GLN HB2 H 1 2.00 0.02 . 2 . . . A 58 GLN HB2 . 18156 1 637 . 1 1 58 58 GLN HB3 H 1 2.00 0.02 . 2 . . . A 58 GLN HB3 . 18156 1 638 . 1 1 58 58 GLN HG2 H 1 2.22 0.02 . 2 . . . A 58 GLN HG2 . 18156 1 639 . 1 1 58 58 GLN HG3 H 1 2.22 0.02 . 2 . . . A 58 GLN HG3 . 18156 1 640 . 1 1 58 58 GLN HE21 H 1 7.47 0.02 . 1 . . . A 58 GLN HE21 . 18156 1 641 . 1 1 58 58 GLN HE22 H 1 6.84 0.02 . 1 . . . A 58 GLN HE22 . 18156 1 642 . 1 1 58 58 GLN C C 13 175.7 0.2 . 1 . . . A 58 GLN C . 18156 1 643 . 1 1 58 58 GLN CA C 13 56.2 0.2 . 1 . . . A 58 GLN CA . 18156 1 644 . 1 1 58 58 GLN CB C 13 30.2 0.2 . 1 . . . A 58 GLN CB . 18156 1 645 . 1 1 58 58 GLN CG C 13 34.2 0.2 . 1 . . . A 58 GLN CG . 18156 1 646 . 1 1 58 58 GLN CD C 13 180.2 0.2 . 1 . . . A 58 GLN CD . 18156 1 647 . 1 1 58 58 GLN N N 15 118.9 0.2 . 1 . . . A 58 GLN N . 18156 1 648 . 1 1 58 58 GLN NE2 N 15 111.8 0.2 . 1 . . . A 58 GLN NE2 . 18156 1 649 . 1 1 59 59 TYR H H 1 8.11 0.02 . 1 . . . A 59 TYR H . 18156 1 650 . 1 1 59 59 TYR HA H 1 5.13 0.02 . 1 . . . A 59 TYR HA . 18156 1 651 . 1 1 59 59 TYR HB2 H 1 3.16 0.02 . 2 . . . A 59 TYR HB2 . 18156 1 652 . 1 1 59 59 TYR HB3 H 1 3.16 0.02 . 2 . . . A 59 TYR HB3 . 18156 1 653 . 1 1 59 59 TYR HD2 H 1 7.14 0.02 . 3 . . . A 59 TYR HD2 . 18156 1 654 . 1 1 59 59 TYR HD1 H 1 7.14 0.02 . 3 . . . A 59 TYR HD1 . 18156 1 655 . 1 1 59 59 TYR HE2 H 1 6.68 0.02 . 3 . . . A 59 TYR HE2 . 18156 1 656 . 1 1 59 59 TYR HE1 H 1 6.68 0.02 . 3 . . . A 59 TYR HE1 . 18156 1 657 . 1 1 59 59 TYR C C 13 177.5 0.2 . 1 . . . A 59 TYR C . 18156 1 658 . 1 1 59 59 TYR CA C 13 56.7 0.2 . 1 . . . A 59 TYR CA . 18156 1 659 . 1 1 59 59 TYR CB C 13 39.3 0.2 . 1 . . . A 59 TYR CB . 18156 1 660 . 1 1 59 59 TYR CD2 C 13 133.5 0.2 . 3 . . . A 59 TYR CD2 . 18156 1 661 . 1 1 59 59 TYR CD1 C 13 133.5 0.2 . 3 . . . A 59 TYR CD1 . 18156 1 662 . 1 1 59 59 TYR CE2 C 13 118.2 0.2 . 3 . . . A 59 TYR CE2 . 18156 1 663 . 1 1 59 59 TYR CE1 C 13 118.2 0.2 . 3 . . . A 59 TYR CE1 . 18156 1 664 . 1 1 59 59 TYR N N 15 118.8 0.2 . 1 . . . A 59 TYR N . 18156 1 665 . 1 1 60 60 VAL H H 1 8.25 0.02 . 1 . . . A 60 VAL H . 18156 1 666 . 1 1 60 60 VAL HA H 1 5.50 0.02 . 1 . . . A 60 VAL HA . 18156 1 667 . 1 1 60 60 VAL HB H 1 2.26 0.02 . 1 . . . A 60 VAL HB . 18156 1 668 . 1 1 60 60 VAL HG11 H 1 1.06 0.02 . 1 . . . A 60 VAL HG1 . 18156 1 669 . 1 1 60 60 VAL HG12 H 1 1.06 0.02 . 1 . . . A 60 VAL HG1 . 18156 1 670 . 1 1 60 60 VAL HG13 H 1 1.06 0.02 . 1 . . . A 60 VAL HG1 . 18156 1 671 . 1 1 60 60 VAL HG21 H 1 0.82 0.02 . 1 . . . A 60 VAL HG2 . 18156 1 672 . 1 1 60 60 VAL HG22 H 1 0.82 0.02 . 1 . . . A 60 VAL HG2 . 18156 1 673 . 1 1 60 60 VAL HG23 H 1 0.82 0.02 . 1 . . . A 60 VAL HG2 . 18156 1 674 . 1 1 60 60 VAL C C 13 174.7 0.2 . 1 . . . A 60 VAL C . 18156 1 675 . 1 1 60 60 VAL CA C 13 60.0 0.2 . 1 . . . A 60 VAL CA . 18156 1 676 . 1 1 60 60 VAL CB C 13 35.0 0.2 . 1 . . . A 60 VAL CB . 18156 1 677 . 1 1 60 60 VAL CG1 C 13 22.2 0.2 . 1 . . . A 60 VAL CG1 . 18156 1 678 . 1 1 60 60 VAL CG2 C 13 19.7 0.2 . 1 . . . A 60 VAL CG2 . 18156 1 679 . 1 1 60 60 VAL N N 15 115.6 0.2 . 1 . . . A 60 VAL N . 18156 1 680 . 1 1 61 61 TRP H H 1 8.50 0.02 . 1 . . . A 61 TRP H . 18156 1 681 . 1 1 61 61 TRP HA H 1 5.92 0.02 . 1 . . . A 61 TRP HA . 18156 1 682 . 1 1 61 61 TRP HB2 H 1 3.06 0.02 . 2 . . . A 61 TRP HB2 . 18156 1 683 . 1 1 61 61 TRP HB3 H 1 3.45 0.02 . 2 . . . A 61 TRP HB3 . 18156 1 684 . 1 1 61 61 TRP HD1 H 1 6.69 0.02 . 1 . . . A 61 TRP HD1 . 18156 1 685 . 1 1 61 61 TRP HE1 H 1 9.65 0.02 . 1 . . . A 61 TRP HE1 . 18156 1 686 . 1 1 61 61 TRP HE3 H 1 7.14 0.02 . 1 . . . A 61 TRP HE3 . 18156 1 687 . 1 1 61 61 TRP HZ2 H 1 7.32 0.02 . 1 . . . A 61 TRP HZ2 . 18156 1 688 . 1 1 61 61 TRP HZ3 H 1 6.92 0.02 . 1 . . . A 61 TRP HZ3 . 18156 1 689 . 1 1 61 61 TRP HH2 H 1 6.99 0.02 . 1 . . . A 61 TRP HH2 . 18156 1 690 . 1 1 61 61 TRP C C 13 172.7 0.2 . 1 . . . A 61 TRP C . 18156 1 691 . 1 1 61 61 TRP CA C 13 55.0 0.2 . 1 . . . A 61 TRP CA . 18156 1 692 . 1 1 61 61 TRP CB C 13 32.9 0.2 . 1 . . . A 61 TRP CB . 18156 1 693 . 1 1 61 61 TRP CD1 C 13 126.7 0.2 . 1 . . . A 61 TRP CD1 . 18156 1 694 . 1 1 61 61 TRP CE3 C 13 119.9 0.2 . 1 . . . A 61 TRP CE3 . 18156 1 695 . 1 1 61 61 TRP CZ2 C 13 114.7 0.2 . 1 . . . A 61 TRP CZ2 . 18156 1 696 . 1 1 61 61 TRP CZ3 C 13 121.4 0.2 . 1 . . . A 61 TRP CZ3 . 18156 1 697 . 1 1 61 61 TRP CH2 C 13 124.5 0.2 . 1 . . . A 61 TRP CH2 . 18156 1 698 . 1 1 61 61 TRP N N 15 120.8 0.2 . 1 . . . A 61 TRP N . 18156 1 699 . 1 1 61 61 TRP NE1 N 15 128.8 0.2 . 1 . . . A 61 TRP NE1 . 18156 1 700 . 1 1 62 62 PHE H H 1 8.70 0.02 . 1 . . . A 62 PHE H . 18156 1 701 . 1 1 62 62 PHE HA H 1 5.04 0.02 . 1 . . . A 62 PHE HA . 18156 1 702 . 1 1 62 62 PHE HB2 H 1 3.07 0.02 . 2 . . . A 62 PHE HB2 . 18156 1 703 . 1 1 62 62 PHE HB3 H 1 3.07 0.02 . 2 . . . A 62 PHE HB3 . 18156 1 704 . 1 1 62 62 PHE HD2 H 1 6.85 0.02 . 3 . . . A 62 PHE HD2 . 18156 1 705 . 1 1 62 62 PHE HD1 H 1 6.85 0.02 . 3 . . . A 62 PHE HD1 . 18156 1 706 . 1 1 62 62 PHE HE2 H 1 6.47 0.02 . 3 . . . A 62 PHE HE2 . 18156 1 707 . 1 1 62 62 PHE HE1 H 1 6.47 0.02 . 3 . . . A 62 PHE HE1 . 18156 1 708 . 1 1 62 62 PHE HZ H 1 6.60 0.02 . 1 . . . A 62 PHE HZ . 18156 1 709 . 1 1 62 62 PHE C C 13 174.8 0.2 . 1 . . . A 62 PHE C . 18156 1 710 . 1 1 62 62 PHE CA C 13 55.4 0.2 . 1 . . . A 62 PHE CA . 18156 1 711 . 1 1 62 62 PHE CB C 13 41.9 0.2 . 1 . . . A 62 PHE CB . 18156 1 712 . 1 1 62 62 PHE CD2 C 13 132.5 0.2 . 3 . . . A 62 PHE CD2 . 18156 1 713 . 1 1 62 62 PHE CD1 C 13 132.5 0.2 . 3 . . . A 62 PHE CD1 . 18156 1 714 . 1 1 62 62 PHE CE2 C 13 130.1 0.2 . 3 . . . A 62 PHE CE2 . 18156 1 715 . 1 1 62 62 PHE CE1 C 13 130.1 0.2 . 3 . . . A 62 PHE CE1 . 18156 1 716 . 1 1 62 62 PHE CZ C 13 127.8 0.2 . 1 . . . A 62 PHE CZ . 18156 1 717 . 1 1 62 62 PHE N N 15 112.1 0.2 . 1 . . . A 62 PHE N . 18156 1 718 . 1 1 63 63 ASN H H 1 9.34 0.02 . 1 . . . A 63 ASN H . 18156 1 719 . 1 1 63 63 ASN HA H 1 5.16 0.02 . 1 . . . A 63 ASN HA . 18156 1 720 . 1 1 63 63 ASN HB2 H 1 2.91 0.02 . 2 . . . A 63 ASN HB2 . 18156 1 721 . 1 1 63 63 ASN HB3 H 1 2.91 0.02 . 2 . . . A 63 ASN HB3 . 18156 1 722 . 1 1 63 63 ASN HD21 H 1 7.59 0.02 . 1 . . . A 63 ASN HD21 . 18156 1 723 . 1 1 63 63 ASN HD22 H 1 7.07 0.02 . 1 . . . A 63 ASN HD22 . 18156 1 724 . 1 1 63 63 ASN C C 13 175.8 0.2 . 1 . . . A 63 ASN C . 18156 1 725 . 1 1 63 63 ASN CA C 13 54.1 0.2 . 1 . . . A 63 ASN CA . 18156 1 726 . 1 1 63 63 ASN CB C 13 40.6 0.2 . 1 . . . A 63 ASN CB . 18156 1 727 . 1 1 63 63 ASN CG C 13 175.5 0.2 . 1 . . . A 63 ASN CG . 18156 1 728 . 1 1 63 63 ASN N N 15 120.8 0.2 . 1 . . . A 63 ASN N . 18156 1 729 . 1 1 63 63 ASN ND2 N 15 114.0 0.2 . 1 . . . A 63 ASN ND2 . 18156 1 730 . 1 1 64 64 ILE H H 1 7.82 0.02 . 1 . . . A 64 ILE H . 18156 1 731 . 1 1 64 64 ILE HA H 1 4.65 0.02 . 1 . . . A 64 ILE HA . 18156 1 732 . 1 1 64 64 ILE HB H 1 1.63 0.02 . 1 . . . A 64 ILE HB . 18156 1 733 . 1 1 64 64 ILE HG12 H 1 0.42 0.02 . 2 . . . A 64 ILE HG12 . 18156 1 734 . 1 1 64 64 ILE HG13 H 1 1.20 0.02 . 2 . . . A 64 ILE HG13 . 18156 1 735 . 1 1 64 64 ILE HG21 H 1 0.75 0.02 . 1 . . . A 64 ILE HG2 . 18156 1 736 . 1 1 64 64 ILE HG22 H 1 0.75 0.02 . 1 . . . A 64 ILE HG2 . 18156 1 737 . 1 1 64 64 ILE HG23 H 1 0.75 0.02 . 1 . . . A 64 ILE HG2 . 18156 1 738 . 1 1 64 64 ILE HD11 H 1 0.24 0.02 . 1 . . . A 64 ILE HD1 . 18156 1 739 . 1 1 64 64 ILE HD12 H 1 0.24 0.02 . 1 . . . A 64 ILE HD1 . 18156 1 740 . 1 1 64 64 ILE HD13 H 1 0.24 0.02 . 1 . . . A 64 ILE HD1 . 18156 1 741 . 1 1 64 64 ILE C C 13 175.3 0.2 . 1 . . . A 64 ILE C . 18156 1 742 . 1 1 64 64 ILE CA C 13 60.1 0.2 . 1 . . . A 64 ILE CA . 18156 1 743 . 1 1 64 64 ILE CB C 13 42.1 0.2 . 1 . . . A 64 ILE CB . 18156 1 744 . 1 1 64 64 ILE CG1 C 13 25.6 0.2 . 1 . . . A 64 ILE CG1 . 18156 1 745 . 1 1 64 64 ILE CG2 C 13 19.8 0.2 . 1 . . . A 64 ILE CG2 . 18156 1 746 . 1 1 64 64 ILE CD1 C 13 14.1 0.2 . 1 . . . A 64 ILE CD1 . 18156 1 747 . 1 1 64 64 ILE N N 15 113.4 0.2 . 1 . . . A 64 ILE N . 18156 1 748 . 1 1 65 65 GLY H H 1 8.57 0.02 . 1 . . . A 65 GLY H . 18156 1 749 . 1 1 65 65 GLY HA2 H 1 3.83 0.02 . 2 . . . A 65 GLY HA2 . 18156 1 750 . 1 1 65 65 GLY HA3 H 1 4.10 0.02 . 2 . . . A 65 GLY HA3 . 18156 1 751 . 1 1 65 65 GLY C C 13 174.3 0.2 . 1 . . . A 65 GLY C . 18156 1 752 . 1 1 65 65 GLY CA C 13 45.8 0.2 . 1 . . . A 65 GLY CA . 18156 1 753 . 1 1 65 65 GLY N N 15 110.7 0.2 . 1 . . . A 65 GLY N . 18156 1 754 . 1 1 66 66 SER H H 1 7.68 0.02 . 1 . . . A 66 SER H . 18156 1 755 . 1 1 66 66 SER HA H 1 4.73 0.02 . 1 . . . A 66 SER HA . 18156 1 756 . 1 1 66 66 SER HB2 H 1 3.95 0.02 . 2 . . . A 66 SER HB2 . 18156 1 757 . 1 1 66 66 SER HB3 H 1 4.15 0.02 . 2 . . . A 66 SER HB3 . 18156 1 758 . 1 1 66 66 SER C C 13 175.5 0.2 . 1 . . . A 66 SER C . 18156 1 759 . 1 1 66 66 SER CA C 13 56.8 0.2 . 1 . . . A 66 SER CA . 18156 1 760 . 1 1 66 66 SER CB C 13 64.5 0.2 . 1 . . . A 66 SER CB . 18156 1 761 . 1 1 66 66 SER N N 15 113.8 0.2 . 1 . . . A 66 SER N . 18156 1 762 . 1 1 67 67 VAL H H 1 9.15 0.02 . 1 . . . A 67 VAL H . 18156 1 763 . 1 1 67 67 VAL HA H 1 3.82 0.02 . 1 . . . A 67 VAL HA . 18156 1 764 . 1 1 67 67 VAL HB H 1 2.20 0.02 . 1 . . . A 67 VAL HB . 18156 1 765 . 1 1 67 67 VAL HG11 H 1 1.12 0.02 . 1 . . . A 67 VAL HG1 . 18156 1 766 . 1 1 67 67 VAL HG12 H 1 1.12 0.02 . 1 . . . A 67 VAL HG1 . 18156 1 767 . 1 1 67 67 VAL HG13 H 1 1.12 0.02 . 1 . . . A 67 VAL HG1 . 18156 1 768 . 1 1 67 67 VAL HG21 H 1 1.08 0.02 . 1 . . . A 67 VAL HG2 . 18156 1 769 . 1 1 67 67 VAL HG22 H 1 1.08 0.02 . 1 . . . A 67 VAL HG2 . 18156 1 770 . 1 1 67 67 VAL HG23 H 1 1.08 0.02 . 1 . . . A 67 VAL HG2 . 18156 1 771 . 1 1 67 67 VAL C C 13 176.7 0.2 . 1 . . . A 67 VAL C . 18156 1 772 . 1 1 67 67 VAL CA C 13 66.6 0.2 . 1 . . . A 67 VAL CA . 18156 1 773 . 1 1 67 67 VAL CB C 13 31.7 0.2 . 1 . . . A 67 VAL CB . 18156 1 774 . 1 1 67 67 VAL CG1 C 13 21.9 0.2 . 1 . . . A 67 VAL CG1 . 18156 1 775 . 1 1 67 67 VAL CG2 C 13 22.6 0.2 . 1 . . . A 67 VAL CG2 . 18156 1 776 . 1 1 67 67 VAL N N 15 127.0 0.2 . 1 . . . A 67 VAL N . 18156 1 777 . 1 1 68 68 ASP H H 1 8.32 0.02 . 1 . . . A 68 ASP H . 18156 1 778 . 1 1 68 68 ASP HA H 1 4.45 0.02 . 1 . . . A 68 ASP HA . 18156 1 779 . 1 1 68 68 ASP HB2 H 1 2.64 0.02 . 2 . . . A 68 ASP HB2 . 18156 1 780 . 1 1 68 68 ASP HB3 H 1 2.64 0.02 . 2 . . . A 68 ASP HB3 . 18156 1 781 . 1 1 68 68 ASP C C 13 178.7 0.2 . 1 . . . A 68 ASP C . 18156 1 782 . 1 1 68 68 ASP CA C 13 57.3 0.2 . 1 . . . A 68 ASP CA . 18156 1 783 . 1 1 68 68 ASP CB C 13 40.7 0.2 . 1 . . . A 68 ASP CB . 18156 1 784 . 1 1 68 68 ASP N N 15 118.8 0.2 . 1 . . . A 68 ASP N . 18156 1 785 . 1 1 69 69 THR H H 1 7.71 0.02 . 1 . . . A 69 THR H . 18156 1 786 . 1 1 69 69 THR HA H 1 3.91 0.02 . 1 . . . A 69 THR HA . 18156 1 787 . 1 1 69 69 THR HB H 1 4.12 0.02 . 1 . . . A 69 THR HB . 18156 1 788 . 1 1 69 69 THR HG21 H 1 1.20 0.02 . 1 . . . A 69 THR HG2 . 18156 1 789 . 1 1 69 69 THR HG22 H 1 1.20 0.02 . 1 . . . A 69 THR HG2 . 18156 1 790 . 1 1 69 69 THR HG23 H 1 1.20 0.02 . 1 . . . A 69 THR HG2 . 18156 1 791 . 1 1 69 69 THR C C 13 175.5 0.2 . 1 . . . A 69 THR C . 18156 1 792 . 1 1 69 69 THR CA C 13 65.6 0.2 . 1 . . . A 69 THR CA . 18156 1 793 . 1 1 69 69 THR CB C 13 68.9 0.2 . 1 . . . A 69 THR CB . 18156 1 794 . 1 1 69 69 THR CG2 C 13 22.3 0.2 . 1 . . . A 69 THR CG2 . 18156 1 795 . 1 1 69 69 THR N N 15 114.5 0.2 . 1 . . . A 69 THR N . 18156 1 796 . 1 1 70 70 PHE H H 1 7.68 0.02 . 1 . . . A 70 PHE H . 18156 1 797 . 1 1 70 70 PHE HA H 1 4.32 0.02 . 1 . . . A 70 PHE HA . 18156 1 798 . 1 1 70 70 PHE HB2 H 1 3.17 0.02 . 2 . . . A 70 PHE HB2 . 18156 1 799 . 1 1 70 70 PHE HB3 H 1 3.35 0.02 . 2 . . . A 70 PHE HB3 . 18156 1 800 . 1 1 70 70 PHE HD1 H 1 7.31 0.02 . 3 . . . A 70 PHE HD1 . 18156 1 801 . 1 1 70 70 PHE HD2 H 1 7.31 0.02 . 3 . . . A 70 PHE HD2 . 18156 1 802 . 1 1 70 70 PHE HE1 H 1 7.31 0.02 . 3 . . . A 70 PHE HE1 . 18156 1 803 . 1 1 70 70 PHE HE2 H 1 7.31 0.02 . 3 . . . A 70 PHE HE2 . 18156 1 804 . 1 1 70 70 PHE HZ H 1 7.09 0.02 . 1 . . . A 70 PHE HZ . 18156 1 805 . 1 1 70 70 PHE C C 13 176.0 0.2 . 1 . . . A 70 PHE C . 18156 1 806 . 1 1 70 70 PHE CA C 13 60.5 0.2 . 1 . . . A 70 PHE CA . 18156 1 807 . 1 1 70 70 PHE CB C 13 39.1 0.2 . 1 . . . A 70 PHE CB . 18156 1 808 . 1 1 70 70 PHE CD1 C 13 132.7 0.2 . 3 . . . A 70 PHE CD1 . 18156 1 809 . 1 1 70 70 PHE CD2 C 13 132.7 0.2 . 3 . . . A 70 PHE CD2 . 18156 1 810 . 1 1 70 70 PHE CE1 C 13 130.2 0.2 . 3 . . . A 70 PHE CE1 . 18156 1 811 . 1 1 70 70 PHE CE2 C 13 130.2 0.2 . 3 . . . A 70 PHE CE2 . 18156 1 812 . 1 1 70 70 PHE CZ C 13 129.2 0.2 . 1 . . . A 70 PHE CZ . 18156 1 813 . 1 1 70 70 PHE N N 15 122.8 0.2 . 1 . . . A 70 PHE N . 18156 1 814 . 1 1 71 71 GLU H H 1 8.66 0.02 . 1 . . . A 71 GLU H . 18156 1 815 . 1 1 71 71 GLU HA H 1 3.37 0.02 . 1 . . . A 71 GLU HA . 18156 1 816 . 1 1 71 71 GLU HB2 H 1 2.01 0.02 . 2 . . . A 71 GLU HB2 . 18156 1 817 . 1 1 71 71 GLU HB3 H 1 2.12 0.02 . 2 . . . A 71 GLU HB3 . 18156 1 818 . 1 1 71 71 GLU HG2 H 1 2.21 0.02 . 2 . . . A 71 GLU HG2 . 18156 1 819 . 1 1 71 71 GLU HG3 H 1 2.72 0.02 . 2 . . . A 71 GLU HG3 . 18156 1 820 . 1 1 71 71 GLU C C 13 179.9 0.2 . 1 . . . A 71 GLU C . 18156 1 821 . 1 1 71 71 GLU CA C 13 60.2 0.2 . 1 . . . A 71 GLU CA . 18156 1 822 . 1 1 71 71 GLU CB C 13 29.2 0.2 . 1 . . . A 71 GLU CB . 18156 1 823 . 1 1 71 71 GLU CG C 13 37.3 0.2 . 1 . . . A 71 GLU CG . 18156 1 824 . 1 1 71 71 GLU N N 15 118.4 0.2 . 1 . . . A 71 GLU N . 18156 1 825 . 1 1 72 72 ARG H H 1 7.96 0.02 . 1 . . . A 72 ARG H . 18156 1 826 . 1 1 72 72 ARG HA H 1 4.16 0.02 . 1 . . . A 72 ARG HA . 18156 1 827 . 1 1 72 72 ARG HB2 H 1 1.92 0.02 . 2 . . . A 72 ARG HB2 . 18156 1 828 . 1 1 72 72 ARG HB3 H 1 1.92 0.02 . 2 . . . A 72 ARG HB3 . 18156 1 829 . 1 1 72 72 ARG HG2 H 1 1.72 0.02 . 2 . . . A 72 ARG HG2 . 18156 1 830 . 1 1 72 72 ARG HG3 H 1 1.78 0.02 . 2 . . . A 72 ARG HG3 . 18156 1 831 . 1 1 72 72 ARG HD2 H 1 3.25 0.02 . 2 . . . A 72 ARG HD2 . 18156 1 832 . 1 1 72 72 ARG HD3 H 1 3.25 0.02 . 2 . . . A 72 ARG HD3 . 18156 1 833 . 1 1 72 72 ARG C C 13 179.2 0.2 . 1 . . . A 72 ARG C . 18156 1 834 . 1 1 72 72 ARG CA C 13 59.1 0.2 . 1 . . . A 72 ARG CA . 18156 1 835 . 1 1 72 72 ARG CB C 13 30.1 0.2 . 1 . . . A 72 ARG CB . 18156 1 836 . 1 1 72 72 ARG CG C 13 27.3 0.2 . 1 . . . A 72 ARG CG . 18156 1 837 . 1 1 72 72 ARG CD C 13 43.5 0.2 . 1 . . . A 72 ARG CD . 18156 1 838 . 1 1 72 72 ARG N N 15 119.5 0.2 . 1 . . . A 72 ARG N . 18156 1 839 . 1 1 73 73 ASN H H 1 8.61 0.02 . 1 . . . A 73 ASN H . 18156 1 840 . 1 1 73 73 ASN HA H 1 4.51 0.02 . 1 . . . A 73 ASN HA . 18156 1 841 . 1 1 73 73 ASN HB2 H 1 2.63 0.02 . 2 . . . A 73 ASN HB2 . 18156 1 842 . 1 1 73 73 ASN HB3 H 1 2.78 0.02 . 2 . . . A 73 ASN HB3 . 18156 1 843 . 1 1 73 73 ASN HD21 H 1 7.17 0.02 . 1 . . . A 73 ASN HD21 . 18156 1 844 . 1 1 73 73 ASN HD22 H 1 6.76 0.02 . 1 . . . A 73 ASN HD22 . 18156 1 845 . 1 1 73 73 ASN C C 13 178.1 0.2 . 1 . . . A 73 ASN C . 18156 1 846 . 1 1 73 73 ASN CA C 13 55.5 0.2 . 1 . . . A 73 ASN CA . 18156 1 847 . 1 1 73 73 ASN CB C 13 37.4 0.2 . 1 . . . A 73 ASN CB . 18156 1 848 . 1 1 73 73 ASN CG C 13 175.8 0.2 . 1 . . . A 73 ASN CG . 18156 1 849 . 1 1 73 73 ASN N N 15 119.9 0.2 . 1 . . . A 73 ASN N . 18156 1 850 . 1 1 73 73 ASN ND2 N 15 110.2 0.2 . 1 . . . A 73 ASN ND2 . 18156 1 851 . 1 1 74 74 LEU H H 1 8.72 0.02 . 1 . . . A 74 LEU H . 18156 1 852 . 1 1 74 74 LEU HA H 1 4.25 0.02 . 1 . . . A 74 LEU HA . 18156 1 853 . 1 1 74 74 LEU HB2 H 1 1.28 0.02 . 2 . . . A 74 LEU HB2 . 18156 1 854 . 1 1 74 74 LEU HB3 H 1 1.69 0.02 . 2 . . . A 74 LEU HB3 . 18156 1 855 . 1 1 74 74 LEU HG H 1 1.61 0.02 . 1 . . . A 74 LEU HG . 18156 1 856 . 1 1 74 74 LEU HD11 H 1 1.02 0.02 . 1 . . . A 74 LEU HD1 . 18156 1 857 . 1 1 74 74 LEU HD12 H 1 1.02 0.02 . 1 . . . A 74 LEU HD1 . 18156 1 858 . 1 1 74 74 LEU HD13 H 1 1.02 0.02 . 1 . . . A 74 LEU HD1 . 18156 1 859 . 1 1 74 74 LEU HD21 H 1 0.84 0.02 . 1 . . . A 74 LEU HD2 . 18156 1 860 . 1 1 74 74 LEU HD22 H 1 0.84 0.02 . 1 . . . A 74 LEU HD2 . 18156 1 861 . 1 1 74 74 LEU HD23 H 1 0.84 0.02 . 1 . . . A 74 LEU HD2 . 18156 1 862 . 1 1 74 74 LEU C C 13 179.1 0.2 . 1 . . . A 74 LEU C . 18156 1 863 . 1 1 74 74 LEU CA C 13 58.3 0.2 . 1 . . . A 74 LEU CA . 18156 1 864 . 1 1 74 74 LEU CB C 13 41.8 0.2 . 1 . . . A 74 LEU CB . 18156 1 865 . 1 1 74 74 LEU CG C 13 26.9 0.2 . 1 . . . A 74 LEU CG . 18156 1 866 . 1 1 74 74 LEU CD1 C 13 23.7 0.2 . 1 . . . A 74 LEU CD1 . 18156 1 867 . 1 1 74 74 LEU CD2 C 13 26.4 0.2 . 1 . . . A 74 LEU CD2 . 18156 1 868 . 1 1 74 74 LEU N N 15 121.9 0.2 . 1 . . . A 74 LEU N . 18156 1 869 . 1 1 75 75 GLU H H 1 8.07 0.02 . 1 . . . A 75 GLU H . 18156 1 870 . 1 1 75 75 GLU HA H 1 4.11 0.02 . 1 . . . A 75 GLU HA . 18156 1 871 . 1 1 75 75 GLU HB2 H 1 2.20 0.02 . 2 . . . A 75 GLU HB2 . 18156 1 872 . 1 1 75 75 GLU HB3 H 1 2.20 0.02 . 2 . . . A 75 GLU HB3 . 18156 1 873 . 1 1 75 75 GLU HG2 H 1 2.34 0.02 . 2 . . . A 75 GLU HG2 . 18156 1 874 . 1 1 75 75 GLU HG3 H 1 2.34 0.02 . 2 . . . A 75 GLU HG3 . 18156 1 875 . 1 1 75 75 GLU C C 13 178.9 0.2 . 1 . . . A 75 GLU C . 18156 1 876 . 1 1 75 75 GLU CA C 13 59.9 0.2 . 1 . . . A 75 GLU CA . 18156 1 877 . 1 1 75 75 GLU CB C 13 29.3 0.2 . 1 . . . A 75 GLU CB . 18156 1 878 . 1 1 75 75 GLU CG C 13 35.7 0.2 . 1 . . . A 75 GLU CG . 18156 1 879 . 1 1 75 75 GLU N N 15 120.7 0.2 . 1 . . . A 75 GLU N . 18156 1 880 . 1 1 76 76 THR H H 1 8.40 0.02 . 1 . . . A 76 THR H . 18156 1 881 . 1 1 76 76 THR HA H 1 4.00 0.02 . 1 . . . A 76 THR HA . 18156 1 882 . 1 1 76 76 THR HB H 1 4.33 0.02 . 1 . . . A 76 THR HB . 18156 1 883 . 1 1 76 76 THR HG21 H 1 1.34 0.02 . 1 . . . A 76 THR HG2 . 18156 1 884 . 1 1 76 76 THR HG22 H 1 1.34 0.02 . 1 . . . A 76 THR HG2 . 18156 1 885 . 1 1 76 76 THR HG23 H 1 1.34 0.02 . 1 . . . A 76 THR HG2 . 18156 1 886 . 1 1 76 76 THR C C 13 176.6 0.2 . 1 . . . A 76 THR C . 18156 1 887 . 1 1 76 76 THR CA C 13 66.5 0.2 . 1 . . . A 76 THR CA . 18156 1 888 . 1 1 76 76 THR CB C 13 69.0 0.2 . 1 . . . A 76 THR CB . 18156 1 889 . 1 1 76 76 THR CG2 C 13 21.8 0.2 . 1 . . . A 76 THR CG2 . 18156 1 890 . 1 1 76 76 THR N N 15 115.7 0.2 . 1 . . . A 76 THR N . 18156 1 891 . 1 1 77 77 LEU H H 1 8.33 0.02 . 1 . . . A 77 LEU H . 18156 1 892 . 1 1 77 77 LEU HA H 1 4.26 0.02 . 1 . . . A 77 LEU HA . 18156 1 893 . 1 1 77 77 LEU HB2 H 1 1.67 0.02 . 2 . . . A 77 LEU HB2 . 18156 1 894 . 1 1 77 77 LEU HB3 H 1 2.06 0.02 . 2 . . . A 77 LEU HB3 . 18156 1 895 . 1 1 77 77 LEU HG H 1 1.79 0.02 . 1 . . . A 77 LEU HG . 18156 1 896 . 1 1 77 77 LEU HD11 H 1 1.00 0.02 . 1 . . . A 77 LEU HD1 . 18156 1 897 . 1 1 77 77 LEU HD12 H 1 1.00 0.02 . 1 . . . A 77 LEU HD1 . 18156 1 898 . 1 1 77 77 LEU HD13 H 1 1.00 0.02 . 1 . . . A 77 LEU HD1 . 18156 1 899 . 1 1 77 77 LEU HD21 H 1 0.98 0.02 . 1 . . . A 77 LEU HD2 . 18156 1 900 . 1 1 77 77 LEU HD22 H 1 0.98 0.02 . 1 . . . A 77 LEU HD2 . 18156 1 901 . 1 1 77 77 LEU HD23 H 1 0.98 0.02 . 1 . . . A 77 LEU HD2 . 18156 1 902 . 1 1 77 77 LEU C C 13 179.2 0.2 . 1 . . . A 77 LEU C . 18156 1 903 . 1 1 77 77 LEU CA C 13 57.3 0.2 . 1 . . . A 77 LEU CA . 18156 1 904 . 1 1 77 77 LEU CB C 13 41.9 0.2 . 1 . . . A 77 LEU CB . 18156 1 905 . 1 1 77 77 LEU CG C 13 27.7 0.2 . 1 . . . A 77 LEU CG . 18156 1 906 . 1 1 77 77 LEU CD1 C 13 25.3 0.2 . 1 . . . A 77 LEU CD1 . 18156 1 907 . 1 1 77 77 LEU CD2 C 13 25.2 0.2 . 1 . . . A 77 LEU CD2 . 18156 1 908 . 1 1 77 77 LEU N N 15 122.2 0.2 . 1 . . . A 77 LEU N . 18156 1 909 . 1 1 78 78 GLN H H 1 8.20 0.02 . 1 . . . A 78 GLN H . 18156 1 910 . 1 1 78 78 GLN HA H 1 3.88 0.02 . 1 . . . A 78 GLN HA . 18156 1 911 . 1 1 78 78 GLN HB2 H 1 2.21 0.02 . 2 . . . A 78 GLN HB2 . 18156 1 912 . 1 1 78 78 GLN HB3 H 1 2.29 0.02 . 2 . . . A 78 GLN HB3 . 18156 1 913 . 1 1 78 78 GLN HG2 H 1 1.96 0.02 . 2 . . . A 78 GLN HG2 . 18156 1 914 . 1 1 78 78 GLN HG3 H 1 2.90 0.02 . 2 . . . A 78 GLN HG3 . 18156 1 915 . 1 1 78 78 GLN HE21 H 1 6.38 0.02 . 2 . . . A 78 GLN HE21 . 18156 1 916 . 1 1 78 78 GLN HE22 H 1 7.63 0.02 . 2 . . . A 78 GLN HE22 . 18156 1 917 . 1 1 78 78 GLN C C 13 177.6 0.2 . 1 . . . A 78 GLN C . 18156 1 918 . 1 1 78 78 GLN CA C 13 61.3 0.2 . 1 . . . A 78 GLN CA . 18156 1 919 . 1 1 78 78 GLN CB C 13 29.4 0.2 . 1 . . . A 78 GLN CB . 18156 1 920 . 1 1 78 78 GLN CG C 13 38.1 0.2 . 1 . . . A 78 GLN CG . 18156 1 921 . 1 1 78 78 GLN CD C 13 177.9 0.2 . 1 . . . A 78 GLN CD . 18156 1 922 . 1 1 78 78 GLN N N 15 115.7 0.2 . 1 . . . A 78 GLN N . 18156 1 923 . 1 1 78 78 GLN NE2 N 15 107.9 0.2 . 1 . . . A 78 GLN NE2 . 18156 1 924 . 1 1 79 79 GLN H H 1 7.98 0.02 . 1 . . . A 79 GLN H . 18156 1 925 . 1 1 79 79 GLN HA H 1 4.14 0.02 . 1 . . . A 79 GLN HA . 18156 1 926 . 1 1 79 79 GLN HB2 H 1 2.27 0.02 . 2 . . . A 79 GLN HB2 . 18156 1 927 . 1 1 79 79 GLN HB3 H 1 2.33 0.02 . 2 . . . A 79 GLN HB3 . 18156 1 928 . 1 1 79 79 GLN HG2 H 1 2.44 0.02 . 2 . . . A 79 GLN HG2 . 18156 1 929 . 1 1 79 79 GLN HG3 H 1 2.59 0.02 . 2 . . . A 79 GLN HG3 . 18156 1 930 . 1 1 79 79 GLN HE21 H 1 7.70 0.02 . 1 . . . A 79 GLN HE21 . 18156 1 931 . 1 1 79 79 GLN HE22 H 1 6.86 0.02 . 1 . . . A 79 GLN HE22 . 18156 1 932 . 1 1 79 79 GLN C C 13 180.0 0.2 . 1 . . . A 79 GLN C . 18156 1 933 . 1 1 79 79 GLN CA C 13 59.2 0.2 . 1 . . . A 79 GLN CA . 18156 1 934 . 1 1 79 79 GLN CB C 13 28.2 0.2 . 1 . . . A 79 GLN CB . 18156 1 935 . 1 1 79 79 GLN CG C 13 33.8 0.2 . 1 . . . A 79 GLN CG . 18156 1 936 . 1 1 79 79 GLN CD C 13 180.2 0.2 . 1 . . . A 79 GLN CD . 18156 1 937 . 1 1 79 79 GLN N N 15 118.4 0.2 . 1 . . . A 79 GLN N . 18156 1 938 . 1 1 79 79 GLN NE2 N 15 111.9 0.2 . 1 . . . A 79 GLN NE2 . 18156 1 939 . 1 1 80 80 GLU H H 1 8.40 0.02 . 1 . . . A 80 GLU H . 18156 1 940 . 1 1 80 80 GLU HA H 1 4.05 0.02 . 1 . . . A 80 GLU HA . 18156 1 941 . 1 1 80 80 GLU HB2 H 1 2.13 0.02 . 2 . . . A 80 GLU HB2 . 18156 1 942 . 1 1 80 80 GLU HB3 H 1 2.29 0.02 . 2 . . . A 80 GLU HB3 . 18156 1 943 . 1 1 80 80 GLU HG2 H 1 2.30 0.02 . 2 . . . A 80 GLU HG2 . 18156 1 944 . 1 1 80 80 GLU HG3 H 1 2.52 0.02 . 2 . . . A 80 GLU HG3 . 18156 1 945 . 1 1 80 80 GLU C C 13 178.8 0.2 . 1 . . . A 80 GLU C . 18156 1 946 . 1 1 80 80 GLU CA C 13 59.3 0.2 . 1 . . . A 80 GLU CA . 18156 1 947 . 1 1 80 80 GLU CB C 13 29.6 0.2 . 1 . . . A 80 GLU CB . 18156 1 948 . 1 1 80 80 GLU CG C 13 36.4 0.2 . 1 . . . A 80 GLU CG . 18156 1 949 . 1 1 80 80 GLU N N 15 121.7 0.2 . 1 . . . A 80 GLU N . 18156 1 950 . 1 1 81 81 LEU H H 1 8.12 0.02 . 1 . . . A 81 LEU H . 18156 1 951 . 1 1 81 81 LEU HA H 1 4.30 0.02 . 1 . . . A 81 LEU HA . 18156 1 952 . 1 1 81 81 LEU HB2 H 1 1.64 0.02 . 2 . . . A 81 LEU HB2 . 18156 1 953 . 1 1 81 81 LEU HB3 H 1 1.79 0.02 . 2 . . . A 81 LEU HB3 . 18156 1 954 . 1 1 81 81 LEU HG H 1 1.87 0.02 . 1 . . . A 81 LEU HG . 18156 1 955 . 1 1 81 81 LEU HD11 H 1 0.69 0.02 . 1 . . . A 81 LEU HD1 . 18156 1 956 . 1 1 81 81 LEU HD12 H 1 0.69 0.02 . 1 . . . A 81 LEU HD1 . 18156 1 957 . 1 1 81 81 LEU HD13 H 1 0.69 0.02 . 1 . . . A 81 LEU HD1 . 18156 1 958 . 1 1 81 81 LEU HD21 H 1 0.86 0.02 . 1 . . . A 81 LEU HD2 . 18156 1 959 . 1 1 81 81 LEU HD22 H 1 0.86 0.02 . 1 . . . A 81 LEU HD2 . 18156 1 960 . 1 1 81 81 LEU HD23 H 1 0.86 0.02 . 1 . . . A 81 LEU HD2 . 18156 1 961 . 1 1 81 81 LEU C C 13 177.4 0.2 . 1 . . . A 81 LEU C . 18156 1 962 . 1 1 81 81 LEU CA C 13 55.1 0.2 . 1 . . . A 81 LEU CA . 18156 1 963 . 1 1 81 81 LEU CB C 13 42.8 0.2 . 1 . . . A 81 LEU CB . 18156 1 964 . 1 1 81 81 LEU CG C 13 26.8 0.2 . 1 . . . A 81 LEU CG . 18156 1 965 . 1 1 81 81 LEU CD1 C 13 25.7 0.2 . 1 . . . A 81 LEU CD1 . 18156 1 966 . 1 1 81 81 LEU CD2 C 13 22.2 0.2 . 1 . . . A 81 LEU CD2 . 18156 1 967 . 1 1 81 81 LEU N N 15 117.2 0.2 . 1 . . . A 81 LEU N . 18156 1 968 . 1 1 82 82 GLY H H 1 7.84 0.02 . 1 . . . A 82 GLY H . 18156 1 969 . 1 1 82 82 GLY HA2 H 1 3.88 0.02 . 2 . . . A 82 GLY HA2 . 18156 1 970 . 1 1 82 82 GLY HA3 H 1 4.00 0.02 . 2 . . . A 82 GLY HA3 . 18156 1 971 . 1 1 82 82 GLY C C 13 174.6 0.2 . 1 . . . A 82 GLY C . 18156 1 972 . 1 1 82 82 GLY CA C 13 46.3 0.2 . 1 . . . A 82 GLY CA . 18156 1 973 . 1 1 82 82 GLY N N 15 108.9 0.2 . 1 . . . A 82 GLY N . 18156 1 974 . 1 1 83 83 ILE H H 1 8.25 0.02 . 1 . . . A 83 ILE H . 18156 1 975 . 1 1 83 83 ILE HA H 1 4.00 0.02 . 1 . . . A 83 ILE HA . 18156 1 976 . 1 1 83 83 ILE HB H 1 1.70 0.02 . 1 . . . A 83 ILE HB . 18156 1 977 . 1 1 83 83 ILE HG12 H 1 1.05 0.02 . 2 . . . A 83 ILE HG12 . 18156 1 978 . 1 1 83 83 ILE HG13 H 1 1.51 0.02 . 2 . . . A 83 ILE HG13 . 18156 1 979 . 1 1 83 83 ILE HG21 H 1 0.81 0.02 . 1 . . . A 83 ILE HG2 . 18156 1 980 . 1 1 83 83 ILE HG22 H 1 0.81 0.02 . 1 . . . A 83 ILE HG2 . 18156 1 981 . 1 1 83 83 ILE HG23 H 1 0.81 0.02 . 1 . . . A 83 ILE HG2 . 18156 1 982 . 1 1 83 83 ILE HD11 H 1 0.87 0.02 . 1 . . . A 83 ILE HD1 . 18156 1 983 . 1 1 83 83 ILE HD12 H 1 0.87 0.02 . 1 . . . A 83 ILE HD1 . 18156 1 984 . 1 1 83 83 ILE HD13 H 1 0.87 0.02 . 1 . . . A 83 ILE HD1 . 18156 1 985 . 1 1 83 83 ILE C C 13 175.3 0.2 . 1 . . . A 83 ILE C . 18156 1 986 . 1 1 83 83 ILE CA C 13 61.5 0.2 . 1 . . . A 83 ILE CA . 18156 1 987 . 1 1 83 83 ILE CB C 13 37.8 0.2 . 1 . . . A 83 ILE CB . 18156 1 988 . 1 1 83 83 ILE CG1 C 13 27.1 0.2 . 1 . . . A 83 ILE CG1 . 18156 1 989 . 1 1 83 83 ILE CG2 C 13 18.2 0.2 . 1 . . . A 83 ILE CG2 . 18156 1 990 . 1 1 83 83 ILE CD1 C 13 13.3 0.2 . 1 . . . A 83 ILE CD1 . 18156 1 991 . 1 1 83 83 ILE N N 15 121.9 0.2 . 1 . . . A 83 ILE N . 18156 1 992 . 1 1 84 84 GLU H H 1 8.76 0.02 . 1 . . . A 84 GLU H . 18156 1 993 . 1 1 84 84 GLU HA H 1 4.50 0.02 . 1 . . . A 84 GLU HA . 18156 1 994 . 1 1 84 84 GLU HB2 H 1 1.91 0.02 . 2 . . . A 84 GLU HB2 . 18156 1 995 . 1 1 84 84 GLU HB3 H 1 2.12 0.02 . 2 . . . A 84 GLU HB3 . 18156 1 996 . 1 1 84 84 GLU HG2 H 1 2.22 0.02 . 2 . . . A 84 GLU HG2 . 18156 1 997 . 1 1 84 84 GLU HG3 H 1 2.22 0.02 . 2 . . . A 84 GLU HG3 . 18156 1 998 . 1 1 84 84 GLU C C 13 177.4 0.2 . 1 . . . A 84 GLU C . 18156 1 999 . 1 1 84 84 GLU CA C 13 55.3 0.2 . 1 . . . A 84 GLU CA . 18156 1 1000 . 1 1 84 84 GLU CB C 13 32.6 0.2 . 1 . . . A 84 GLU CB . 18156 1 1001 . 1 1 84 84 GLU CG C 13 35.9 0.2 . 1 . . . A 84 GLU CG . 18156 1 1002 . 1 1 84 84 GLU N N 15 126.6 0.2 . 1 . . . A 84 GLU N . 18156 1 1003 . 1 1 85 85 GLY H H 1 8.87 0.02 . 1 . . . A 85 GLY H . 18156 1 1004 . 1 1 85 85 GLY HA2 H 1 3.72 0.02 . 2 . . . A 85 GLY HA2 . 18156 1 1005 . 1 1 85 85 GLY HA3 H 1 3.97 0.02 . 2 . . . A 85 GLY HA3 . 18156 1 1006 . 1 1 85 85 GLY C C 13 176.6 0.2 . 1 . . . A 85 GLY C . 18156 1 1007 . 1 1 85 85 GLY CA C 13 47.4 0.2 . 1 . . . A 85 GLY CA . 18156 1 1008 . 1 1 85 85 GLY N N 15 109.4 0.2 . 1 . . . A 85 GLY N . 18156 1 1009 . 1 1 86 86 GLU H H 1 9.24 0.02 . 1 . . . A 86 GLU H . 18156 1 1010 . 1 1 86 86 GLU HA H 1 4.25 0.02 . 1 . . . A 86 GLU HA . 18156 1 1011 . 1 1 86 86 GLU HB2 H 1 2.02 0.02 . 2 . . . A 86 GLU HB2 . 18156 1 1012 . 1 1 86 86 GLU HB3 H 1 2.14 0.02 . 2 . . . A 86 GLU HB3 . 18156 1 1013 . 1 1 86 86 GLU HG2 H 1 2.32 0.02 . 2 . . . A 86 GLU HG2 . 18156 1 1014 . 1 1 86 86 GLU HG3 H 1 2.32 0.02 . 2 . . . A 86 GLU HG3 . 18156 1 1015 . 1 1 86 86 GLU C C 13 176.2 0.2 . 1 . . . A 86 GLU C . 18156 1 1016 . 1 1 86 86 GLU CA C 13 57.8 0.2 . 1 . . . A 86 GLU CA . 18156 1 1017 . 1 1 86 86 GLU CB C 13 29.1 0.2 . 1 . . . A 86 GLU CB . 18156 1 1018 . 1 1 86 86 GLU CG C 13 36.0 0.2 . 1 . . . A 86 GLU CG . 18156 1 1019 . 1 1 86 86 GLU N N 15 123.9 0.2 . 1 . . . A 86 GLU N . 18156 1 1020 . 1 1 87 87 ASN H H 1 8.05 0.02 . 1 . . . A 87 ASN H . 18156 1 1021 . 1 1 87 87 ASN HA H 1 4.83 0.02 . 1 . . . A 87 ASN HA . 18156 1 1022 . 1 1 87 87 ASN HB2 H 1 2.79 0.02 . 2 . . . A 87 ASN HB2 . 18156 1 1023 . 1 1 87 87 ASN HB3 H 1 3.00 0.02 . 2 . . . A 87 ASN HB3 . 18156 1 1024 . 1 1 87 87 ASN HD21 H 1 7.78 0.02 . 1 . . . A 87 ASN HD21 . 18156 1 1025 . 1 1 87 87 ASN HD22 H 1 7.09 0.02 . 1 . . . A 87 ASN HD22 . 18156 1 1026 . 1 1 87 87 ASN C C 13 174.6 0.2 . 1 . . . A 87 ASN C . 18156 1 1027 . 1 1 87 87 ASN CA C 13 53.2 0.2 . 1 . . . A 87 ASN CA . 18156 1 1028 . 1 1 87 87 ASN CB C 13 39.4 0.2 . 1 . . . A 87 ASN CB . 18156 1 1029 . 1 1 87 87 ASN CG C 13 177.1 0.2 . 1 . . . A 87 ASN CG . 18156 1 1030 . 1 1 87 87 ASN N N 15 115.9 0.2 . 1 . . . A 87 ASN N . 18156 1 1031 . 1 1 87 87 ASN ND2 N 15 113.8 0.2 . 1 . . . A 87 ASN ND2 . 18156 1 1032 . 1 1 88 88 ARG H H 1 7.23 0.02 . 1 . . . A 88 ARG H . 18156 1 1033 . 1 1 88 88 ARG HA H 1 4.05 0.02 . 1 . . . A 88 ARG HA . 18156 1 1034 . 1 1 88 88 ARG HB2 H 1 1.76 0.02 . 2 . . . A 88 ARG HB2 . 18156 1 1035 . 1 1 88 88 ARG HB3 H 1 1.89 0.02 . 2 . . . A 88 ARG HB3 . 18156 1 1036 . 1 1 88 88 ARG HG2 H 1 1.44 0.02 . 2 . . . A 88 ARG HG2 . 18156 1 1037 . 1 1 88 88 ARG HG3 H 1 1.64 0.02 . 2 . . . A 88 ARG HG3 . 18156 1 1038 . 1 1 88 88 ARG HD2 H 1 3.21 0.02 . 2 . . . A 88 ARG HD2 . 18156 1 1039 . 1 1 88 88 ARG HD3 H 1 3.21 0.02 . 2 . . . A 88 ARG HD3 . 18156 1 1040 . 1 1 88 88 ARG HE H 1 7.27 0.02 . 1 . . . A 88 ARG HE . 18156 1 1041 . 1 1 88 88 ARG C C 13 176.6 0.2 . 1 . . . A 88 ARG C . 18156 1 1042 . 1 1 88 88 ARG CA C 13 56.6 0.2 . 1 . . . A 88 ARG CA . 18156 1 1043 . 1 1 88 88 ARG CB C 13 30.6 0.2 . 1 . . . A 88 ARG CB . 18156 1 1044 . 1 1 88 88 ARG CG C 13 28.4 0.2 . 1 . . . A 88 ARG CG . 18156 1 1045 . 1 1 88 88 ARG CD C 13 43.5 0.2 . 1 . . . A 88 ARG CD . 18156 1 1046 . 1 1 88 88 ARG N N 15 119.3 0.2 . 1 . . . A 88 ARG N . 18156 1 1047 . 1 1 88 88 ARG NE N 15 83.8 0.2 . 1 . . . A 88 ARG NE . 18156 1 1048 . 1 1 89 89 VAL H H 1 8.78 0.02 . 1 . . . A 89 VAL H . 18156 1 1049 . 1 1 89 89 VAL HA H 1 4.29 0.02 . 1 . . . A 89 VAL HA . 18156 1 1050 . 1 1 89 89 VAL HB H 1 1.99 0.02 . 1 . . . A 89 VAL HB . 18156 1 1051 . 1 1 89 89 VAL HG11 H 1 0.94 0.02 . 1 . . . A 89 VAL HG1 . 18156 1 1052 . 1 1 89 89 VAL HG12 H 1 0.94 0.02 . 1 . . . A 89 VAL HG1 . 18156 1 1053 . 1 1 89 89 VAL HG13 H 1 0.94 0.02 . 1 . . . A 89 VAL HG1 . 18156 1 1054 . 1 1 89 89 VAL HG21 H 1 1.02 0.02 . 1 . . . A 89 VAL HG2 . 18156 1 1055 . 1 1 89 89 VAL HG22 H 1 1.02 0.02 . 1 . . . A 89 VAL HG2 . 18156 1 1056 . 1 1 89 89 VAL HG23 H 1 1.02 0.02 . 1 . . . A 89 VAL HG2 . 18156 1 1057 . 1 1 89 89 VAL CA C 13 60.0 0.2 . 1 . . . A 89 VAL CA . 18156 1 1058 . 1 1 89 89 VAL CB C 13 33.1 0.2 . 1 . . . A 89 VAL CB . 18156 1 1059 . 1 1 89 89 VAL CG1 C 13 22.0 0.2 . 1 . . . A 89 VAL CG1 . 18156 1 1060 . 1 1 89 89 VAL CG2 C 13 21.5 0.2 . 1 . . . A 89 VAL CG2 . 18156 1 1061 . 1 1 89 89 VAL N N 15 124.7 0.2 . 1 . . . A 89 VAL N . 18156 1 1062 . 1 1 90 90 PRO HA H 1 4.51 0.02 . 1 . . . A 90 PRO HA . 18156 1 1063 . 1 1 90 90 PRO HB2 H 1 1.84 0.02 . 2 . . . A 90 PRO HB2 . 18156 1 1064 . 1 1 90 90 PRO HB3 H 1 2.31 0.02 . 2 . . . A 90 PRO HB3 . 18156 1 1065 . 1 1 90 90 PRO HG2 H 1 2.02 0.02 . 2 . . . A 90 PRO HG2 . 18156 1 1066 . 1 1 90 90 PRO HG3 H 1 2.19 0.02 . 2 . . . A 90 PRO HG3 . 18156 1 1067 . 1 1 90 90 PRO HD2 H 1 4.04 0.02 . 2 . . . A 90 PRO HD2 . 18156 1 1068 . 1 1 90 90 PRO HD3 H 1 4.12 0.02 . 2 . . . A 90 PRO HD3 . 18156 1 1069 . 1 1 90 90 PRO C C 13 175.1 0.2 . 1 . . . A 90 PRO C . 18156 1 1070 . 1 1 90 90 PRO CA C 13 63.1 0.2 . 1 . . . A 90 PRO CA . 18156 1 1071 . 1 1 90 90 PRO CB C 13 32.6 0.2 . 1 . . . A 90 PRO CB . 18156 1 1072 . 1 1 90 90 PRO CG C 13 27.9 0.2 . 1 . . . A 90 PRO CG . 18156 1 1073 . 1 1 90 90 PRO CD C 13 51.5 0.2 . 1 . . . A 90 PRO CD . 18156 1 1074 . 1 1 91 91 VAL H H 1 8.03 0.02 . 1 . . . A 91 VAL H . 18156 1 1075 . 1 1 91 91 VAL HA H 1 4.81 0.02 . 1 . . . A 91 VAL HA . 18156 1 1076 . 1 1 91 91 VAL HB H 1 1.94 0.02 . 1 . . . A 91 VAL HB . 18156 1 1077 . 1 1 91 91 VAL HG11 H 1 0.70 0.02 . 1 . . . A 91 VAL HG1 . 18156 1 1078 . 1 1 91 91 VAL HG12 H 1 0.70 0.02 . 1 . . . A 91 VAL HG1 . 18156 1 1079 . 1 1 91 91 VAL HG13 H 1 0.70 0.02 . 1 . . . A 91 VAL HG1 . 18156 1 1080 . 1 1 91 91 VAL HG21 H 1 0.97 0.02 . 1 . . . A 91 VAL HG2 . 18156 1 1081 . 1 1 91 91 VAL HG22 H 1 0.97 0.02 . 1 . . . A 91 VAL HG2 . 18156 1 1082 . 1 1 91 91 VAL HG23 H 1 0.97 0.02 . 1 . . . A 91 VAL HG2 . 18156 1 1083 . 1 1 91 91 VAL C C 13 176.1 0.2 . 1 . . . A 91 VAL C . 18156 1 1084 . 1 1 91 91 VAL CA C 13 61.3 0.2 . 1 . . . A 91 VAL CA . 18156 1 1085 . 1 1 91 91 VAL CB C 13 34.2 0.2 . 1 . . . A 91 VAL CB . 18156 1 1086 . 1 1 91 91 VAL CG1 C 13 22.4 0.2 . 1 . . . A 91 VAL CG1 . 18156 1 1087 . 1 1 91 91 VAL CG2 C 13 22.2 0.2 . 1 . . . A 91 VAL CG2 . 18156 1 1088 . 1 1 91 91 VAL N N 15 121.6 0.2 . 1 . . . A 91 VAL N . 18156 1 1089 . 1 1 92 92 VAL H H 1 8.64 0.02 . 1 . . . A 92 VAL H . 18156 1 1090 . 1 1 92 92 VAL HA H 1 4.54 0.02 . 1 . . . A 92 VAL HA . 18156 1 1091 . 1 1 92 92 VAL HB H 1 1.97 0.02 . 1 . . . A 92 VAL HB . 18156 1 1092 . 1 1 92 92 VAL HG11 H 1 0.92 0.02 . 1 . . . A 92 VAL HG1 . 18156 1 1093 . 1 1 92 92 VAL HG12 H 1 0.92 0.02 . 1 . . . A 92 VAL HG1 . 18156 1 1094 . 1 1 92 92 VAL HG13 H 1 0.92 0.02 . 1 . . . A 92 VAL HG1 . 18156 1 1095 . 1 1 92 92 VAL HG21 H 1 0.86 0.02 . 1 . . . A 92 VAL HG2 . 18156 1 1096 . 1 1 92 92 VAL HG22 H 1 0.86 0.02 . 1 . . . A 92 VAL HG2 . 18156 1 1097 . 1 1 92 92 VAL HG23 H 1 0.86 0.02 . 1 . . . A 92 VAL HG2 . 18156 1 1098 . 1 1 92 92 VAL C C 13 173.6 0.2 . 1 . . . A 92 VAL C . 18156 1 1099 . 1 1 92 92 VAL CA C 13 59.7 0.2 . 1 . . . A 92 VAL CA . 18156 1 1100 . 1 1 92 92 VAL CB C 13 34.9 0.2 . 1 . . . A 92 VAL CB . 18156 1 1101 . 1 1 92 92 VAL CG1 C 13 21.2 0.2 . 1 . . . A 92 VAL CG1 . 18156 1 1102 . 1 1 92 92 VAL CG2 C 13 20.2 0.2 . 1 . . . A 92 VAL CG2 . 18156 1 1103 . 1 1 92 92 VAL N N 15 124.8 0.2 . 1 . . . A 92 VAL N . 18156 1 1104 . 1 1 93 93 TYR H H 1 8.80 0.02 . 1 . . . A 93 TYR H . 18156 1 1105 . 1 1 93 93 TYR HA H 1 4.93 0.02 . 1 . . . A 93 TYR HA . 18156 1 1106 . 1 1 93 93 TYR HB2 H 1 2.88 0.02 . 2 . . . A 93 TYR HB2 . 18156 1 1107 . 1 1 93 93 TYR HB3 H 1 2.88 0.02 . 2 . . . A 93 TYR HB3 . 18156 1 1108 . 1 1 93 93 TYR HD1 H 1 7.15 0.02 . 3 . . . A 93 TYR HD1 . 18156 1 1109 . 1 1 93 93 TYR HD2 H 1 7.15 0.02 . 3 . . . A 93 TYR HD2 . 18156 1 1110 . 1 1 93 93 TYR HE1 H 1 6.72 0.02 . 3 . . . A 93 TYR HE1 . 18156 1 1111 . 1 1 93 93 TYR HE2 H 1 6.72 0.02 . 3 . . . A 93 TYR HE2 . 18156 1 1112 . 1 1 93 93 TYR C C 13 175.7 0.2 . 1 . . . A 93 TYR C . 18156 1 1113 . 1 1 93 93 TYR CA C 13 57.4 0.2 . 1 . . . A 93 TYR CA . 18156 1 1114 . 1 1 93 93 TYR CB C 13 38.5 0.2 . 1 . . . A 93 TYR CB . 18156 1 1115 . 1 1 93 93 TYR CD1 C 13 132.7 0.2 . 3 . . . A 93 TYR CD1 . 18156 1 1116 . 1 1 93 93 TYR CD2 C 13 132.7 0.2 . 3 . . . A 93 TYR CD2 . 18156 1 1117 . 1 1 93 93 TYR CE1 C 13 118.6 0.2 . 3 . . . A 93 TYR CE1 . 18156 1 1118 . 1 1 93 93 TYR CE2 C 13 118.6 0.2 . 3 . . . A 93 TYR CE2 . 18156 1 1119 . 1 1 93 93 TYR N N 15 124.7 0.2 . 1 . . . A 93 TYR N . 18156 1 1120 . 1 1 94 94 ILE H H 1 9.00 0.02 . 1 . . . A 94 ILE H . 18156 1 1121 . 1 1 94 94 ILE HA H 1 4.51 0.02 . 1 . . . A 94 ILE HA . 18156 1 1122 . 1 1 94 94 ILE HB H 1 1.70 0.02 . 1 . . . A 94 ILE HB . 18156 1 1123 . 1 1 94 94 ILE HG12 H 1 0.90 0.02 . 2 . . . A 94 ILE HG12 . 18156 1 1124 . 1 1 94 94 ILE HG13 H 1 1.18 0.02 . 2 . . . A 94 ILE HG13 . 18156 1 1125 . 1 1 94 94 ILE HG21 H 1 0.78 0.02 . 1 . . . A 94 ILE HG2 . 18156 1 1126 . 1 1 94 94 ILE HG22 H 1 0.78 0.02 . 1 . . . A 94 ILE HG2 . 18156 1 1127 . 1 1 94 94 ILE HG23 H 1 0.78 0.02 . 1 . . . A 94 ILE HG2 . 18156 1 1128 . 1 1 94 94 ILE HD11 H 1 0.65 0.02 . 1 . . . A 94 ILE HD1 . 18156 1 1129 . 1 1 94 94 ILE HD12 H 1 0.65 0.02 . 1 . . . A 94 ILE HD1 . 18156 1 1130 . 1 1 94 94 ILE HD13 H 1 0.65 0.02 . 1 . . . A 94 ILE HD1 . 18156 1 1131 . 1 1 94 94 ILE C C 13 173.7 0.2 . 1 . . . A 94 ILE C . 18156 1 1132 . 1 1 94 94 ILE CA C 13 59.2 0.2 . 1 . . . A 94 ILE CA . 18156 1 1133 . 1 1 94 94 ILE CB C 13 41.5 0.2 . 1 . . . A 94 ILE CB . 18156 1 1134 . 1 1 94 94 ILE CG1 C 13 26.9 0.2 . 1 . . . A 94 ILE CG1 . 18156 1 1135 . 1 1 94 94 ILE CG2 C 13 17.8 0.2 . 1 . . . A 94 ILE CG2 . 18156 1 1136 . 1 1 94 94 ILE CD1 C 13 12.8 0.2 . 1 . . . A 94 ILE CD1 . 18156 1 1137 . 1 1 94 94 ILE N N 15 123.1 0.2 . 1 . . . A 94 ILE N . 18156 1 1138 . 1 1 95 95 ALA H H 1 8.45 0.02 . 1 . . . A 95 ALA H . 18156 1 1139 . 1 1 95 95 ALA HA H 1 4.99 0.02 . 1 . . . A 95 ALA HA . 18156 1 1140 . 1 1 95 95 ALA HB1 H 1 1.35 0.02 . 1 . . . A 95 ALA HB . 18156 1 1141 . 1 1 95 95 ALA HB2 H 1 1.35 0.02 . 1 . . . A 95 ALA HB . 18156 1 1142 . 1 1 95 95 ALA HB3 H 1 1.35 0.02 . 1 . . . A 95 ALA HB . 18156 1 1143 . 1 1 95 95 ALA C C 13 177.0 0.2 . 1 . . . A 95 ALA C . 18156 1 1144 . 1 1 95 95 ALA CA C 13 50.5 0.2 . 1 . . . A 95 ALA CA . 18156 1 1145 . 1 1 95 95 ALA CB C 13 20.4 0.2 . 1 . . . A 95 ALA CB . 18156 1 1146 . 1 1 95 95 ALA N N 15 128.0 0.2 . 1 . . . A 95 ALA N . 18156 1 1147 . 1 1 96 96 GLU H H 1 8.85 0.02 . 1 . . . A 96 GLU H . 18156 1 1148 . 1 1 96 96 GLU HA H 1 4.52 0.02 . 1 . . . A 96 GLU HA . 18156 1 1149 . 1 1 96 96 GLU HB2 H 1 1.72 0.02 . 2 . . . A 96 GLU HB2 . 18156 1 1150 . 1 1 96 96 GLU HB3 H 1 1.91 0.02 . 2 . . . A 96 GLU HB3 . 18156 1 1151 . 1 1 96 96 GLU HG2 H 1 2.11 0.02 . 2 . . . A 96 GLU HG2 . 18156 1 1152 . 1 1 96 96 GLU HG3 H 1 2.11 0.02 . 2 . . . A 96 GLU HG3 . 18156 1 1153 . 1 1 96 96 GLU C C 13 176.0 0.2 . 1 . . . A 96 GLU C . 18156 1 1154 . 1 1 96 96 GLU CA C 13 55.5 0.2 . 1 . . . A 96 GLU CA . 18156 1 1155 . 1 1 96 96 GLU CB C 13 32.8 0.2 . 1 . . . A 96 GLU CB . 18156 1 1156 . 1 1 96 96 GLU CG C 13 36.5 0.2 . 1 . . . A 96 GLU CG . 18156 1 1157 . 1 1 96 96 GLU N N 15 122.2 0.2 . 1 . . . A 96 GLU N . 18156 1 1158 . 1 1 97 97 SER H H 1 8.65 0.02 . 1 . . . A 97 SER H . 18156 1 1159 . 1 1 97 97 SER HA H 1 4.43 0.02 . 1 . . . A 97 SER HA . 18156 1 1160 . 1 1 97 97 SER HB2 H 1 3.85 0.02 . 2 . . . A 97 SER HB2 . 18156 1 1161 . 1 1 97 97 SER HB3 H 1 3.85 0.02 . 2 . . . A 97 SER HB3 . 18156 1 1162 . 1 1 97 97 SER C C 13 174.2 0.2 . 1 . . . A 97 SER C . 18156 1 1163 . 1 1 97 97 SER CA C 13 58.5 0.2 . 1 . . . A 97 SER CA . 18156 1 1164 . 1 1 97 97 SER CB C 13 63.8 0.2 . 1 . . . A 97 SER CB . 18156 1 1165 . 1 1 97 97 SER N N 15 118.6 0.2 . 1 . . . A 97 SER N . 18156 1 1166 . 1 1 98 98 ASP H H 1 8.50 0.02 . 1 . . . A 98 ASP H . 18156 1 1167 . 1 1 98 98 ASP HA H 1 4.67 0.02 . 1 . . . A 98 ASP HA . 18156 1 1168 . 1 1 98 98 ASP HB2 H 1 2.60 0.02 . 2 . . . A 98 ASP HB2 . 18156 1 1169 . 1 1 98 98 ASP HB3 H 1 2.69 0.02 . 2 . . . A 98 ASP HB3 . 18156 1 1170 . 1 1 98 98 ASP C C 13 175.5 0.2 . 1 . . . A 98 ASP C . 18156 1 1171 . 1 1 98 98 ASP CA C 13 54.4 0.2 . 1 . . . A 98 ASP CA . 18156 1 1172 . 1 1 98 98 ASP CB C 13 41.4 0.2 . 1 . . . A 98 ASP CB . 18156 1 1173 . 1 1 98 98 ASP N N 15 123.2 0.2 . 1 . . . A 98 ASP N . 18156 1 1174 . 1 1 99 99 GLY H H 1 7.90 0.02 . 1 . . . A 99 GLY H . 18156 1 1175 . 1 1 99 99 GLY HA2 H 1 3.71 0.02 . 2 . . . A 99 GLY HA2 . 18156 1 1176 . 1 1 99 99 GLY HA3 H 1 3.71 0.02 . 2 . . . A 99 GLY HA3 . 18156 1 1177 . 1 1 99 99 GLY CA C 13 46.3 0.2 . 1 . . . A 99 GLY CA . 18156 1 1178 . 1 1 99 99 GLY N N 15 114.8 0.2 . 1 . . . A 99 GLY N . 18156 1 stop_ save_