data_7002 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7002 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID . 'Solution structure of the Ede1 UBA-ubiquitin complex' 'Structure analysis' ; The data from the entries that make up this study were used to determine the structure of the Ede1 UBA-ubiquitin complex ; 7002 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'NMR structure' 7002 1 . UBA 7002 1 . 'ubiquitin binding domain' 7002 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7002 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for the Ede1 UBA-ubiquitin complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-02-22 _Entry.Accession_date 2006-02-23 _Entry.Last_release_date 2006-04-27 _Entry.Original_release_date 2006-04-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _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 Kurt Swanson . A. . 7002 2 Ishwar Radhakrishnan . . . 7002 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7002 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 500 7002 '15N chemical shifts' 124 7002 '1H chemical shifts' 805 7002 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 . . 2006-04-27 2006-02-22 original author . 7002 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2G3Q 'BMRB Entry Tracking System' 7002 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7002 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16563434 _Citation.Full_citation . _Citation.Title 'Structural Basis for Monoubiquitin Recognition by the Ede1 UBA Domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 358 _Citation.Journal_issue 3 _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 713 _Citation.Page_last 724 _Citation.Year 2006 _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 Kurt Swanson . A. . 7002 1 2 Linda Hicke . . . 7002 1 3 Ishwar Radhakrishnan . . . 7002 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7002 _Assembly.ID 1 _Assembly.Name 'Ede1 UBA-ubiquitin complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _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 Ubiquitin 1 $Ubiquitin . . no native no no . . . 7002 1 2 'Ede1 UBA' 2 $UBA . . no native no no . . . 7002 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ubiquitin _Entity.Sf_category entity _Entity.Sf_framecode Ubiquitin _Entity.Entry_ID 7002 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ubiquitin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQIFVKTLTGKTITLEVESS DTIDNVKSKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 2G3Q . "Solution Structure Of Ede1 Uba-Ubiquitin Complex" . . . . . 100.00 43 100.00 100.00 4.29e-21 . . . . 7002 1 2 no DBJ GAA21503 . "K7_Ede1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 1381 100.00 100.00 9.54e-20 . . . . 7002 1 3 no EMBL CAA80797 . "YBLO501 [Saccharomyces cerevisiae]" . . . . . 100.00 803 100.00 100.00 3.58e-20 . . . . 7002 1 4 no EMBL CAA84867 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 100.00 1381 100.00 100.00 9.01e-20 . . . . 7002 1 5 no EMBL CAY77738 . "Ede1p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 1380 100.00 100.00 8.75e-20 . . . . 7002 1 6 no GB AHY74439 . "Ede1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 1381 100.00 100.00 9.54e-20 . . . . 7002 1 7 no GB EDN64569 . "EH domains and endocytosis-related protein [Saccharomyces cerevisiae YJM789]" . . . . . 100.00 1381 100.00 100.00 9.54e-20 . . . . 7002 1 8 no GB EDV12138 . "hypothetical protein SCRG_03011 [Saccharomyces cerevisiae RM11-1a]" . . . . . 100.00 1381 100.00 100.00 9.54e-20 . . . . 7002 1 9 no GB EDZ73911 . "YBL047Cp-like protein [Saccharomyces cerevisiae AWRI1631]" . . . . . 100.00 689 100.00 100.00 4.25e-20 . . . . 7002 1 10 no GB EEU07701 . "Ede1p [Saccharomyces cerevisiae JAY291]" . . . . . 100.00 1381 100.00 100.00 9.54e-20 . . . . 7002 1 11 no REF NP_009506 . "Ede1p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 1381 100.00 100.00 9.01e-20 . . . . 7002 1 12 no REF XP_011102417 . "ede1p [Saccharomyces arboricola H-6]" . . . . . 95.35 1390 97.56 100.00 1.48e-18 . . . . 7002 1 13 no SP P34216 . "RecName: Full=EH domain-containing and endocytosis protein 1; AltName: Full=Bud site selection protein 15 [Saccharomyces cerevi" . . . . . 100.00 1381 100.00 100.00 9.01e-20 . . . . 7002 1 14 no TPG DAA07071 . "TPA: Ede1p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 1381 100.00 100.00 9.01e-20 . . . . 7002 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 . 7002 1 2 . GLN . 7002 1 3 . ILE . 7002 1 4 . PHE . 7002 1 5 . VAL . 7002 1 6 . LYS . 7002 1 7 . THR . 7002 1 8 . LEU . 7002 1 9 . THR . 7002 1 10 . GLY . 7002 1 11 . LYS . 7002 1 12 . THR . 7002 1 13 . ILE . 7002 1 14 . THR . 7002 1 15 . LEU . 7002 1 16 . GLU . 7002 1 17 . VAL . 7002 1 18 . GLU . 7002 1 19 . SER . 7002 1 20 . SER . 7002 1 21 . ASP . 7002 1 22 . THR . 7002 1 23 . ILE . 7002 1 24 . ASP . 7002 1 25 . ASN . 7002 1 26 . VAL . 7002 1 27 . LYS . 7002 1 28 . SER . 7002 1 29 . LYS . 7002 1 30 . ILE . 7002 1 31 . GLN . 7002 1 32 . ASP . 7002 1 33 . LYS . 7002 1 34 . GLU . 7002 1 35 . GLY . 7002 1 36 . ILE . 7002 1 37 . PRO . 7002 1 38 . PRO . 7002 1 39 . ASP . 7002 1 40 . GLN . 7002 1 41 . GLN . 7002 1 42 . ARG . 7002 1 43 . LEU . 7002 1 44 . ILE . 7002 1 45 . PHE . 7002 1 46 . ALA . 7002 1 47 . GLY . 7002 1 48 . LYS . 7002 1 49 . GLN . 7002 1 50 . LEU . 7002 1 51 . GLU . 7002 1 52 . ASP . 7002 1 53 . GLY . 7002 1 54 . ARG . 7002 1 55 . THR . 7002 1 56 . LEU . 7002 1 57 . SER . 7002 1 58 . ASP . 7002 1 59 . TYR . 7002 1 60 . ASN . 7002 1 61 . ILE . 7002 1 62 . GLN . 7002 1 63 . LYS . 7002 1 64 . GLU . 7002 1 65 . SER . 7002 1 66 . THR . 7002 1 67 . LEU . 7002 1 68 . HIS . 7002 1 69 . LEU . 7002 1 70 . VAL . 7002 1 71 . LEU . 7002 1 72 . ARG . 7002 1 73 . LEU . 7002 1 74 . ARG . 7002 1 75 . GLY . 7002 1 76 . GLY . 7002 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 7002 1 . GLN 2 2 7002 1 . ILE 3 3 7002 1 . PHE 4 4 7002 1 . VAL 5 5 7002 1 . LYS 6 6 7002 1 . THR 7 7 7002 1 . LEU 8 8 7002 1 . THR 9 9 7002 1 . GLY 10 10 7002 1 . LYS 11 11 7002 1 . THR 12 12 7002 1 . ILE 13 13 7002 1 . THR 14 14 7002 1 . LEU 15 15 7002 1 . GLU 16 16 7002 1 . VAL 17 17 7002 1 . GLU 18 18 7002 1 . SER 19 19 7002 1 . SER 20 20 7002 1 . ASP 21 21 7002 1 . THR 22 22 7002 1 . ILE 23 23 7002 1 . ASP 24 24 7002 1 . ASN 25 25 7002 1 . VAL 26 26 7002 1 . LYS 27 27 7002 1 . SER 28 28 7002 1 . LYS 29 29 7002 1 . ILE 30 30 7002 1 . GLN 31 31 7002 1 . ASP 32 32 7002 1 . LYS 33 33 7002 1 . GLU 34 34 7002 1 . GLY 35 35 7002 1 . ILE 36 36 7002 1 . PRO 37 37 7002 1 . PRO 38 38 7002 1 . ASP 39 39 7002 1 . GLN 40 40 7002 1 . GLN 41 41 7002 1 . ARG 42 42 7002 1 . LEU 43 43 7002 1 . ILE 44 44 7002 1 . PHE 45 45 7002 1 . ALA 46 46 7002 1 . GLY 47 47 7002 1 . LYS 48 48 7002 1 . GLN 49 49 7002 1 . LEU 50 50 7002 1 . GLU 51 51 7002 1 . ASP 52 52 7002 1 . GLY 53 53 7002 1 . ARG 54 54 7002 1 . THR 55 55 7002 1 . LEU 56 56 7002 1 . SER 57 57 7002 1 . ASP 58 58 7002 1 . TYR 59 59 7002 1 . ASN 60 60 7002 1 . ILE 61 61 7002 1 . GLN 62 62 7002 1 . LYS 63 63 7002 1 . GLU 64 64 7002 1 . SER 65 65 7002 1 . THR 66 66 7002 1 . LEU 67 67 7002 1 . HIS 68 68 7002 1 . LEU 69 69 7002 1 . VAL 70 70 7002 1 . LEU 71 71 7002 1 . ARG 72 72 7002 1 . LEU 73 73 7002 1 . ARG 74 74 7002 1 . GLY 75 75 7002 1 . GLY 76 76 7002 1 stop_ save_ save_UBA _Entity.Sf_category entity _Entity.Sf_framecode UBA _Entity.Entry_ID 7002 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'Ede1 UBA' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TTPKSLAVEELSGMGFTEEE AHNALEKCNWDLEAATNFLL DSA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 43 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1339 THR . 7002 2 2 1340 THR . 7002 2 3 1341 PRO . 7002 2 4 1342 LYS . 7002 2 5 1343 SER . 7002 2 6 1344 LEU . 7002 2 7 1345 ALA . 7002 2 8 1346 VAL . 7002 2 9 1347 GLU . 7002 2 10 1348 GLU . 7002 2 11 1349 LEU . 7002 2 12 1350 SER . 7002 2 13 1351 GLY . 7002 2 14 1352 MET . 7002 2 15 1353 GLY . 7002 2 16 1354 PHE . 7002 2 17 1355 THR . 7002 2 18 1356 GLU . 7002 2 19 1357 GLU . 7002 2 20 1358 GLU . 7002 2 21 1359 ALA . 7002 2 22 1360 HIS . 7002 2 23 1361 ASN . 7002 2 24 1362 ALA . 7002 2 25 1363 LEU . 7002 2 26 1364 GLU . 7002 2 27 1365 LYS . 7002 2 28 1366 CYS . 7002 2 29 1367 ASN . 7002 2 30 1368 TRP . 7002 2 31 1369 ASP . 7002 2 32 1370 LEU . 7002 2 33 1371 GLU . 7002 2 34 1372 ALA . 7002 2 35 1373 ALA . 7002 2 36 1374 THR . 7002 2 37 1375 ASN . 7002 2 38 1376 PHE . 7002 2 39 1377 LEU . 7002 2 40 1378 LEU . 7002 2 41 1379 ASP . 7002 2 42 1380 SER . 7002 2 43 1381 ALA . 7002 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . THR 1 1 7002 2 . THR 2 2 7002 2 . PRO 3 3 7002 2 . LYS 4 4 7002 2 . SER 5 5 7002 2 . LEU 6 6 7002 2 . ALA 7 7 7002 2 . VAL 8 8 7002 2 . GLU 9 9 7002 2 . GLU 10 10 7002 2 . LEU 11 11 7002 2 . SER 12 12 7002 2 . GLY 13 13 7002 2 . MET 14 14 7002 2 . GLY 15 15 7002 2 . PHE 16 16 7002 2 . THR 17 17 7002 2 . GLU 18 18 7002 2 . GLU 19 19 7002 2 . GLU 20 20 7002 2 . ALA 21 21 7002 2 . HIS 22 22 7002 2 . ASN 23 23 7002 2 . ALA 24 24 7002 2 . LEU 25 25 7002 2 . GLU 26 26 7002 2 . LYS 27 27 7002 2 . CYS 28 28 7002 2 . ASN 29 29 7002 2 . TRP 30 30 7002 2 . ASP 31 31 7002 2 . LEU 32 32 7002 2 . GLU 33 33 7002 2 . ALA 34 34 7002 2 . ALA 35 35 7002 2 . THR 36 36 7002 2 . ASN 37 37 7002 2 . PHE 38 38 7002 2 . LEU 39 39 7002 2 . LEU 40 40 7002 2 . ASP 41 41 7002 2 . SER 42 42 7002 2 . ALA 43 43 7002 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7002 _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 $UBA . 4932 . no . Yeast . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 7002 1 2 2 $Ubiquitin . 4932 . no . Yeast . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 7002 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 7002 _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 $Ubiquitin . 'recombinant technology' . 'E. Coli' 'BL21 (DE3)' . . . . . . . . . . . . . . . . . . . . . . . . . . 7002 1 2 2 $UBA . 'recombinant technology' . 'E. Coli' 'BL21 (DE3)' . . . . . . . . . . . . . . . . . . . . . . . . . . 7002 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7002 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1mM each Ede1 UBA and ubiquitin' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Ubiquitin . . . 1 $Ubiquitin . . 1 . . mM . . . . 7002 1 2 'Ede1 UBA' . . . 2 $UBA . . 1 . . mM . . . . 7002 1 3 'Sodium Phosphate' . . . . . . . 20 . . mM . . . . 7002 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7002 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20mM Sodium Phosphate (pH 6.0)' 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 6.0 0 pH 7002 1 temperature . . . 7002 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7002 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7002 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7002 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7002 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7002 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _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 $sample_1 isotropic 7002 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.25 0.03 . 1 . . . . 1 MET HA . 7002 1 2 . 1 1 1 1 MET HB2 H 1 2.06 0.03 . 2 . . . . 1 MET HB2 . 7002 1 3 . 1 1 1 1 MET HB3 H 1 2.18 0.03 . 2 . . . . 1 MET HB3 . 7002 1 4 . 1 1 1 1 MET HG2 H 1 2.02 0.03 . 2 . . . . 1 MET HG2 . 7002 1 5 . 1 1 1 1 MET HG3 H 1 2.53 0.03 . 2 . . . . 1 MET HG3 . 7002 1 6 . 1 1 1 1 MET HE1 H 1 1.67 0.03 . 1 . . . . 1 MET HE . 7002 1 7 . 1 1 1 1 MET HE2 H 1 1.67 0.03 . 1 . . . . 1 MET HE . 7002 1 8 . 1 1 1 1 MET HE3 H 1 1.67 0.03 . 1 . . . . 1 MET HE . 7002 1 9 . 1 1 1 1 MET C C 13 170.50 0.20 . 1 . . . . 1 MET C . 7002 1 10 . 1 1 1 1 MET CA C 13 54.47 0.20 . 1 . . . . 1 MET CA . 7002 1 11 . 1 1 1 1 MET CB C 13 33.31 0.20 . 1 . . . . 1 MET CB . 7002 1 12 . 1 1 1 1 MET CG C 13 30.73 0.20 . 1 . . . . 1 MET CG . 7002 1 13 . 1 1 1 1 MET CE C 13 17.68 0.20 . 1 . . . . 1 MET CE . 7002 1 14 . 1 1 2 2 GLN H H 1 8.97 0.03 . 1 . . . . 2 GLN H . 7002 1 15 . 1 1 2 2 GLN HA H 1 5.27 0.03 . 1 . . . . 2 GLN HA . 7002 1 16 . 1 1 2 2 GLN HB2 H 1 1.63 0.03 . 2 . . . . 2 GLN HB2 . 7002 1 17 . 1 1 2 2 GLN HB3 H 1 1.86 0.03 . 2 . . . . 2 GLN HB3 . 7002 1 18 . 1 1 2 2 GLN HG2 H 1 1.89 0.03 . 2 . . . . 2 GLN HG2 . 7002 1 19 . 1 1 2 2 GLN HG3 H 1 2.23 0.03 . 2 . . . . 2 GLN HG3 . 7002 1 20 . 1 1 2 2 GLN HE21 H 1 7.72 0.03 . 2 . . . . 2 GLN HE21 . 7002 1 21 . 1 1 2 2 GLN HE22 H 1 6.77 0.03 . 2 . . . . 2 GLN HE22 . 7002 1 22 . 1 1 2 2 GLN C C 13 175.91 0.20 . 1 . . . . 2 GLN C . 7002 1 23 . 1 1 2 2 GLN CA C 13 55.09 0.20 . 1 . . . . 2 GLN CA . 7002 1 24 . 1 1 2 2 GLN CB C 13 30.59 0.20 . 1 . . . . 2 GLN CB . 7002 1 25 . 1 1 2 2 GLN CG C 13 34.49 0.20 . 1 . . . . 2 GLN CG . 7002 1 26 . 1 1 2 2 GLN N N 15 121.86 0.30 . 1 . . . . 2 GLN N . 7002 1 27 . 1 1 2 2 GLN NE2 N 15 110.70 0.30 . 1 . . . . 2 GLN NE2 . 7002 1 28 . 1 1 3 3 ILE H H 1 8.34 0.03 . 1 . . . . 3 ILE H . 7002 1 29 . 1 1 3 3 ILE HA H 1 4.16 0.03 . 1 . . . . 3 ILE HA . 7002 1 30 . 1 1 3 3 ILE HB H 1 1.75 0.03 . 1 . . . . 3 ILE HB . 7002 1 31 . 1 1 3 3 ILE HG12 H 1 0.83 0.03 . 2 . . . . 3 ILE HG12 . 7002 1 32 . 1 1 3 3 ILE HG13 H 1 1.03 0.03 . 2 . . . . 3 ILE HG13 . 7002 1 33 . 1 1 3 3 ILE HG21 H 1 0.62 0.03 . 1 . . . . 3 ILE HG2 . 7002 1 34 . 1 1 3 3 ILE HG22 H 1 0.62 0.03 . 1 . . . . 3 ILE HG2 . 7002 1 35 . 1 1 3 3 ILE HG23 H 1 0.62 0.03 . 1 . . . . 3 ILE HG2 . 7002 1 36 . 1 1 3 3 ILE HD11 H 1 0.58 0.03 . 1 . . . . 3 ILE HD1 . 7002 1 37 . 1 1 3 3 ILE HD12 H 1 0.58 0.03 . 1 . . . . 3 ILE HD1 . 7002 1 38 . 1 1 3 3 ILE HD13 H 1 0.58 0.03 . 1 . . . . 3 ILE HD1 . 7002 1 39 . 1 1 3 3 ILE C C 13 172.28 0.20 . 1 . . . . 3 ILE C . 7002 1 40 . 1 1 3 3 ILE CA C 13 59.83 0.20 . 1 . . . . 3 ILE CA . 7002 1 41 . 1 1 3 3 ILE CB C 13 42.24 0.20 . 1 . . . . 3 ILE CB . 7002 1 42 . 1 1 3 3 ILE CG1 C 13 25.16 0.20 . 1 . . . . 3 ILE CG1 . 7002 1 43 . 1 1 3 3 ILE CG2 C 13 17.91 0.20 . 1 . . . . 3 ILE CG2 . 7002 1 44 . 1 1 3 3 ILE CD1 C 13 14.23 0.20 . 1 . . . . 3 ILE CD1 . 7002 1 45 . 1 1 3 3 ILE N N 15 114.16 0.30 . 1 . . . . 3 ILE N . 7002 1 46 . 1 1 4 4 PHE H H 1 8.60 0.03 . 1 . . . . 4 PHE H . 7002 1 47 . 1 1 4 4 PHE HA H 1 5.58 0.03 . 1 . . . . 4 PHE HA . 7002 1 48 . 1 1 4 4 PHE HB2 H 1 2.86 0.03 . 2 . . . . 4 PHE HB2 . 7002 1 49 . 1 1 4 4 PHE HB3 H 1 3.04 0.03 . 2 . . . . 4 PHE HB3 . 7002 1 50 . 1 1 4 4 PHE HD1 H 1 7.07 0.03 . 3 . . . . 4 PHE HD1 . 7002 1 51 . 1 1 4 4 PHE HE1 H 1 7.23 0.03 . 3 . . . . 4 PHE HE1 . 7002 1 52 . 1 1 4 4 PHE HZ H 1 7.23 0.03 . 1 . . . . 4 PHE HZ . 7002 1 53 . 1 1 4 4 PHE C C 13 174.47 0.20 . 1 . . . . 4 PHE C . 7002 1 54 . 1 1 4 4 PHE CA C 13 55.24 0.20 . 1 . . . . 4 PHE CA . 7002 1 55 . 1 1 4 4 PHE CB C 13 41.34 0.20 . 1 . . . . 4 PHE CB . 7002 1 56 . 1 1 4 4 PHE N N 15 117.72 0.30 . 1 . . . . 4 PHE N . 7002 1 57 . 1 1 5 5 VAL H H 1 9.37 0.03 . 1 . . . . 5 VAL H . 7002 1 58 . 1 1 5 5 VAL HA H 1 4.69 0.03 . 1 . . . . 5 VAL HA . 7002 1 59 . 1 1 5 5 VAL HB H 1 1.92 0.03 . 1 . . . . 5 VAL HB . 7002 1 60 . 1 1 5 5 VAL HG11 H 1 0.73 0.03 . 2 . . . . 5 VAL HG1 . 7002 1 61 . 1 1 5 5 VAL HG12 H 1 0.73 0.03 . 2 . . . . 5 VAL HG1 . 7002 1 62 . 1 1 5 5 VAL HG13 H 1 0.73 0.03 . 2 . . . . 5 VAL HG1 . 7002 1 63 . 1 1 5 5 VAL HG21 H 1 0.68 0.03 . 2 . . . . 5 VAL HG2 . 7002 1 64 . 1 1 5 5 VAL HG22 H 1 0.68 0.03 . 2 . . . . 5 VAL HG2 . 7002 1 65 . 1 1 5 5 VAL HG23 H 1 0.68 0.03 . 2 . . . . 5 VAL HG2 . 7002 1 66 . 1 1 5 5 VAL C C 13 174.47 0.20 . 1 . . . . 5 VAL C . 7002 1 67 . 1 1 5 5 VAL CA C 13 60.59 0.20 . 1 . . . . 5 VAL CA . 7002 1 68 . 1 1 5 5 VAL CB C 13 33.95 0.20 . 1 . . . . 5 VAL CB . 7002 1 69 . 1 1 5 5 VAL CG1 C 13 20.80 0.20 . 2 . . . . 5 VAL CG1 . 7002 1 70 . 1 1 5 5 VAL CG2 C 13 22.45 0.20 . 2 . . . . 5 VAL CG2 . 7002 1 71 . 1 1 5 5 VAL N N 15 120.16 0.30 . 1 . . . . 5 VAL N . 7002 1 72 . 1 1 6 6 LYS H H 1 8.95 0.03 . 1 . . . . 6 LYS H . 7002 1 73 . 1 1 6 6 LYS HA H 1 5.36 0.03 . 1 . . . . 6 LYS HA . 7002 1 74 . 1 1 6 6 LYS HB2 H 1 1.32 0.03 . 2 . . . . 6 LYS HB2 . 7002 1 75 . 1 1 6 6 LYS HB3 H 1 1.62 0.03 . 2 . . . . 6 LYS HB3 . 7002 1 76 . 1 1 6 6 LYS HG2 H 1 1.31 0.03 . 2 . . . . 6 LYS HG2 . 7002 1 77 . 1 1 6 6 LYS HG3 H 1 1.56 0.03 . 2 . . . . 6 LYS HG3 . 7002 1 78 . 1 1 6 6 LYS HD3 H 1 1.62 0.03 . 2 . . . . 6 LYS HD3 . 7002 1 79 . 1 1 6 6 LYS HE3 H 1 2.94 0.03 . 2 . . . . 6 LYS HE3 . 7002 1 80 . 1 1 6 6 LYS C C 13 177.16 0.20 . 1 . . . . 6 LYS C . 7002 1 81 . 1 1 6 6 LYS CA C 13 54.65 0.20 . 1 . . . . 6 LYS CA . 7002 1 82 . 1 1 6 6 LYS CB C 13 35.24 0.20 . 1 . . . . 6 LYS CB . 7002 1 83 . 1 1 6 6 LYS CG C 13 24.93 0.20 . 1 . . . . 6 LYS CG . 7002 1 84 . 1 1 6 6 LYS CD C 13 29.38 0.20 . 1 . . . . 6 LYS CD . 7002 1 85 . 1 1 6 6 LYS CE C 13 42.01 0.20 . 1 . . . . 6 LYS CE . 7002 1 86 . 1 1 6 6 LYS N N 15 127.35 0.30 . 1 . . . . 6 LYS N . 7002 1 87 . 1 1 7 7 THR H H 1 8.83 0.03 . 1 . . . . 7 THR H . 7002 1 88 . 1 1 7 7 THR HA H 1 5.11 0.03 . 1 . . . . 7 THR HA . 7002 1 89 . 1 1 7 7 THR HB H 1 4.86 0.03 . 1 . . . . 7 THR HB . 7002 1 90 . 1 1 7 7 THR HG21 H 1 1.20 0.03 . 1 . . . . 7 THR HG2 . 7002 1 91 . 1 1 7 7 THR HG22 H 1 1.20 0.03 . 1 . . . . 7 THR HG2 . 7002 1 92 . 1 1 7 7 THR HG23 H 1 1.20 0.03 . 1 . . . . 7 THR HG2 . 7002 1 93 . 1 1 7 7 THR C C 13 177.16 0.20 . 1 . . . . 7 THR C . 7002 1 94 . 1 1 7 7 THR CA C 13 60.31 0.20 . 1 . . . . 7 THR CA . 7002 1 95 . 1 1 7 7 THR CB C 13 70.72 0.20 . 1 . . . . 7 THR CB . 7002 1 96 . 1 1 7 7 THR CG2 C 13 21.34 0.20 . 1 . . . . 7 THR CG2 . 7002 1 97 . 1 1 7 7 THR N N 15 115.08 0.30 . 1 . . . . 7 THR N . 7002 1 98 . 1 1 8 8 LEU H H 1 9.33 0.03 . 1 . . . . 8 LEU H . 7002 1 99 . 1 1 8 8 LEU HA H 1 4.38 0.03 . 1 . . . . 8 LEU HA . 7002 1 100 . 1 1 8 8 LEU HB2 H 1 1.79 0.03 . 2 . . . . 8 LEU HB2 . 7002 1 101 . 1 1 8 8 LEU HB3 H 1 1.96 0.03 . 2 . . . . 8 LEU HB3 . 7002 1 102 . 1 1 8 8 LEU HG H 1 1.93 0.03 . 1 . . . . 8 LEU HG . 7002 1 103 . 1 1 8 8 LEU HD11 H 1 1.02 0.03 . 2 . . . . 8 LEU HD1 . 7002 1 104 . 1 1 8 8 LEU HD12 H 1 1.02 0.03 . 2 . . . . 8 LEU HD1 . 7002 1 105 . 1 1 8 8 LEU HD13 H 1 1.02 0.03 . 2 . . . . 8 LEU HD1 . 7002 1 106 . 1 1 8 8 LEU HD21 H 1 0.94 0.03 . 2 . . . . 8 LEU HD2 . 7002 1 107 . 1 1 8 8 LEU HD22 H 1 0.94 0.03 . 2 . . . . 8 LEU HD2 . 7002 1 108 . 1 1 8 8 LEU HD23 H 1 0.94 0.03 . 2 . . . . 8 LEU HD2 . 7002 1 109 . 1 1 8 8 LEU C C 13 178.44 0.20 . 1 . . . . 8 LEU C . 7002 1 110 . 1 1 8 8 LEU CA C 13 56.70 0.20 . 1 . . . . 8 LEU CA . 7002 1 111 . 1 1 8 8 LEU CB C 13 41.55 0.20 . 1 . . . . 8 LEU CB . 7002 1 112 . 1 1 8 8 LEU CG C 13 27.62 0.20 . 1 . . . . 8 LEU CG . 7002 1 113 . 1 1 8 8 LEU CD1 C 13 25.66 0.20 . 2 . . . . 8 LEU CD1 . 7002 1 114 . 1 1 8 8 LEU CD2 C 13 23.64 0.20 . 2 . . . . 8 LEU CD2 . 7002 1 115 . 1 1 8 8 LEU N N 15 120.15 0.30 . 1 . . . . 8 LEU N . 7002 1 116 . 1 1 9 9 THR H H 1 7.73 0.03 . 1 . . . . 9 THR H . 7002 1 117 . 1 1 9 9 THR HA H 1 4.46 0.03 . 1 . . . . 9 THR HA . 7002 1 118 . 1 1 9 9 THR HB H 1 4.61 0.03 . 1 . . . . 9 THR HB . 7002 1 119 . 1 1 9 9 THR HG21 H 1 1.26 0.03 . 1 . . . . 9 THR HG2 . 7002 1 120 . 1 1 9 9 THR HG22 H 1 1.26 0.03 . 1 . . . . 9 THR HG2 . 7002 1 121 . 1 1 9 9 THR HG23 H 1 1.26 0.03 . 1 . . . . 9 THR HG2 . 7002 1 122 . 1 1 9 9 THR C C 13 175.33 0.20 . 1 . . . . 9 THR C . 7002 1 123 . 1 1 9 9 THR CA C 13 61.15 0.20 . 1 . . . . 9 THR CA . 7002 1 124 . 1 1 9 9 THR CB C 13 69.14 0.20 . 1 . . . . 9 THR CB . 7002 1 125 . 1 1 9 9 THR CG2 C 13 21.75 0.20 . 1 . . . . 9 THR CG2 . 7002 1 126 . 1 1 9 9 THR N N 15 105.17 0.30 . 1 . . . . 9 THR N . 7002 1 127 . 1 1 10 10 GLY H H 1 7.80 0.03 . 1 . . . . 10 GLY H . 7002 1 128 . 1 1 10 10 GLY HA2 H 1 3.65 0.03 . 2 . . . . 10 GLY HA2 . 7002 1 129 . 1 1 10 10 GLY HA3 H 1 4.31 0.03 . 2 . . . . 10 GLY HA3 . 7002 1 130 . 1 1 10 10 GLY C C 13 173.97 0.20 . 1 . . . . 10 GLY C . 7002 1 131 . 1 1 10 10 GLY CA C 13 45.47 0.20 . 1 . . . . 10 GLY CA . 7002 1 132 . 1 1 10 10 GLY N N 15 108.00 0.30 . 1 . . . . 10 GLY N . 7002 1 133 . 1 1 11 11 LYS H H 1 7.37 0.03 . 1 . . . . 11 LYS H . 7002 1 134 . 1 1 11 11 LYS HA H 1 4.42 0.03 . 1 . . . . 11 LYS HA . 7002 1 135 . 1 1 11 11 LYS HB2 H 1 1.73 0.03 . 2 . . . . 11 LYS HB2 . 7002 1 136 . 1 1 11 11 LYS HB3 H 1 1.81 0.03 . 2 . . . . 11 LYS HB3 . 7002 1 137 . 1 1 11 11 LYS HG2 H 1 1.24 0.03 . 2 . . . . 11 LYS HG2 . 7002 1 138 . 1 1 11 11 LYS HG3 H 1 1.39 0.03 . 2 . . . . 11 LYS HG3 . 7002 1 139 . 1 1 11 11 LYS HD3 H 1 1.62 0.03 . 2 . . . . 11 LYS HD3 . 7002 1 140 . 1 1 11 11 LYS HE3 H 1 2.91 0.03 . 2 . . . . 11 LYS HE3 . 7002 1 141 . 1 1 11 11 LYS C C 13 175.66 0.20 . 1 . . . . 11 LYS C . 7002 1 142 . 1 1 11 11 LYS CA C 13 56.34 0.20 . 1 . . . . 11 LYS CA . 7002 1 143 . 1 1 11 11 LYS CB C 13 33.60 0.20 . 1 . . . . 11 LYS CB . 7002 1 144 . 1 1 11 11 LYS CG C 13 25.23 0.20 . 1 . . . . 11 LYS CG . 7002 1 145 . 1 1 11 11 LYS CD C 13 29.37 0.20 . 1 . . . . 11 LYS CD . 7002 1 146 . 1 1 11 11 LYS CE C 13 41.77 0.20 . 1 . . . . 11 LYS CE . 7002 1 147 . 1 1 11 11 LYS N N 15 120.77 0.30 . 1 . . . . 11 LYS N . 7002 1 148 . 1 1 12 12 THR H H 1 8.65 0.03 . 1 . . . . 12 THR H . 7002 1 149 . 1 1 12 12 THR HA H 1 5.05 0.03 . 1 . . . . 12 THR HA . 7002 1 150 . 1 1 12 12 THR HB H 1 3.93 0.03 . 1 . . . . 12 THR HB . 7002 1 151 . 1 1 12 12 THR HG21 H 1 1.07 0.03 . 1 . . . . 12 THR HG2 . 7002 1 152 . 1 1 12 12 THR HG22 H 1 1.07 0.03 . 1 . . . . 12 THR HG2 . 7002 1 153 . 1 1 12 12 THR HG23 H 1 1.07 0.03 . 1 . . . . 12 THR HG2 . 7002 1 154 . 1 1 12 12 THR C C 13 174.01 0.20 . 1 . . . . 12 THR C . 7002 1 155 . 1 1 12 12 THR CA C 13 62.45 0.20 . 1 . . . . 12 THR CA . 7002 1 156 . 1 1 12 12 THR CB C 13 69.63 0.20 . 1 . . . . 12 THR CB . 7002 1 157 . 1 1 12 12 THR CG2 C 13 21.50 0.20 . 1 . . . . 12 THR CG2 . 7002 1 158 . 1 1 12 12 THR N N 15 119.49 0.30 . 1 . . . . 12 THR N . 7002 1 159 . 1 1 13 13 ILE H H 1 9.60 0.03 . 1 . . . . 13 ILE H . 7002 1 160 . 1 1 13 13 ILE HA H 1 4.47 0.03 . 1 . . . . 13 ILE HA . 7002 1 161 . 1 1 13 13 ILE HB H 1 1.86 0.03 . 1 . . . . 13 ILE HB . 7002 1 162 . 1 1 13 13 ILE HG12 H 1 1.08 0.03 . 2 . . . . 13 ILE HG12 . 7002 1 163 . 1 1 13 13 ILE HG13 H 1 1.46 0.03 . 2 . . . . 13 ILE HG13 . 7002 1 164 . 1 1 13 13 ILE HG21 H 1 0.88 0.03 . 1 . . . . 13 ILE HG2 . 7002 1 165 . 1 1 13 13 ILE HG22 H 1 0.88 0.03 . 1 . . . . 13 ILE HG2 . 7002 1 166 . 1 1 13 13 ILE HG23 H 1 0.88 0.03 . 1 . . . . 13 ILE HG2 . 7002 1 167 . 1 1 13 13 ILE HD11 H 1 0.72 0.03 . 1 . . . . 13 ILE HD1 . 7002 1 168 . 1 1 13 13 ILE HD12 H 1 0.72 0.03 . 1 . . . . 13 ILE HD1 . 7002 1 169 . 1 1 13 13 ILE HD13 H 1 0.72 0.03 . 1 . . . . 13 ILE HD1 . 7002 1 170 . 1 1 13 13 ILE C C 13 175.19 0.20 . 1 . . . . 13 ILE C . 7002 1 171 . 1 1 13 13 ILE CA C 13 60.15 0.20 . 1 . . . . 13 ILE CA . 7002 1 172 . 1 1 13 13 ILE CB C 13 40.95 0.20 . 1 . . . . 13 ILE CB . 7002 1 173 . 1 1 13 13 ILE CG1 C 13 27.20 0.20 . 1 . . . . 13 ILE CG1 . 7002 1 174 . 1 1 13 13 ILE CG2 C 13 17.82 0.20 . 1 . . . . 13 ILE CG2 . 7002 1 175 . 1 1 13 13 ILE CD1 C 13 14.45 0.20 . 1 . . . . 13 ILE CD1 . 7002 1 176 . 1 1 13 13 ILE N N 15 127.76 0.30 . 1 . . . . 13 ILE N . 7002 1 177 . 1 1 14 14 THR H H 1 8.79 0.03 . 1 . . . . 14 THR H . 7002 1 178 . 1 1 14 14 THR HA H 1 4.93 0.03 . 1 . . . . 14 THR HA . 7002 1 179 . 1 1 14 14 THR HB H 1 4.04 0.03 . 1 . . . . 14 THR HB . 7002 1 180 . 1 1 14 14 THR HG21 H 1 1.13 0.03 . 1 . . . . 14 THR HG2 . 7002 1 181 . 1 1 14 14 THR HG22 H 1 1.13 0.03 . 1 . . . . 14 THR HG2 . 7002 1 182 . 1 1 14 14 THR HG23 H 1 1.13 0.03 . 1 . . . . 14 THR HG2 . 7002 1 183 . 1 1 14 14 THR C C 13 173.64 0.20 . 1 . . . . 14 THR C . 7002 1 184 . 1 1 14 14 THR CA C 13 62.29 0.20 . 1 . . . . 14 THR CA . 7002 1 185 . 1 1 14 14 THR CB C 13 69.42 0.20 . 1 . . . . 14 THR CB . 7002 1 186 . 1 1 14 14 THR CG2 C 13 21.73 0.20 . 1 . . . . 14 THR CG2 . 7002 1 187 . 1 1 14 14 THR N N 15 121.40 0.30 . 1 . . . . 14 THR N . 7002 1 188 . 1 1 15 15 LEU H H 1 8.74 0.03 . 1 . . . . 15 LEU H . 7002 1 189 . 1 1 15 15 LEU HA H 1 4.80 0.03 . 1 . . . . 15 LEU HA . 7002 1 190 . 1 1 15 15 LEU HB2 H 1 1.20 0.03 . 2 . . . . 15 LEU HB2 . 7002 1 191 . 1 1 15 15 LEU HB3 H 1 1.37 0.03 . 2 . . . . 15 LEU HB3 . 7002 1 192 . 1 1 15 15 LEU HG H 1 1.27 0.03 . 1 . . . . 15 LEU HG . 7002 1 193 . 1 1 15 15 LEU HD11 H 1 0.77 0.03 . 2 . . . . 15 LEU HD1 . 7002 1 194 . 1 1 15 15 LEU HD12 H 1 0.77 0.03 . 2 . . . . 15 LEU HD1 . 7002 1 195 . 1 1 15 15 LEU HD13 H 1 0.77 0.03 . 2 . . . . 15 LEU HD1 . 7002 1 196 . 1 1 15 15 LEU HD21 H 1 0.71 0.03 . 2 . . . . 15 LEU HD2 . 7002 1 197 . 1 1 15 15 LEU HD22 H 1 0.71 0.03 . 2 . . . . 15 LEU HD2 . 7002 1 198 . 1 1 15 15 LEU HD23 H 1 0.71 0.03 . 2 . . . . 15 LEU HD2 . 7002 1 199 . 1 1 15 15 LEU C C 13 174.47 0.20 . 1 . . . . 15 LEU C . 7002 1 200 . 1 1 15 15 LEU CA C 13 52.80 0.20 . 1 . . . . 15 LEU CA . 7002 1 201 . 1 1 15 15 LEU CB C 13 46.65 0.20 . 1 . . . . 15 LEU CB . 7002 1 202 . 1 1 15 15 LEU CG C 13 22.23 0.20 . 1 . . . . 15 LEU CG . 7002 1 203 . 1 1 15 15 LEU CD1 C 13 23.88 0.20 . 2 . . . . 15 LEU CD1 . 7002 1 204 . 1 1 15 15 LEU CD2 C 13 27.14 0.20 . 2 . . . . 15 LEU CD2 . 7002 1 205 . 1 1 15 15 LEU N N 15 124.18 0.30 . 1 . . . . 15 LEU N . 7002 1 206 . 1 1 16 16 GLU H H 1 8.16 0.03 . 1 . . . . 16 GLU H . 7002 1 207 . 1 1 16 16 GLU HA H 1 4.89 0.03 . 1 . . . . 16 GLU HA . 7002 1 208 . 1 1 16 16 GLU HB2 H 1 1.83 0.03 . 2 . . . . 16 GLU HB2 . 7002 1 209 . 1 1 16 16 GLU HB3 H 1 1.91 0.03 . 2 . . . . 16 GLU HB3 . 7002 1 210 . 1 1 16 16 GLU HG2 H 1 2.08 0.03 . 2 . . . . 16 GLU HG2 . 7002 1 211 . 1 1 16 16 GLU HG3 H 1 2.24 0.03 . 2 . . . . 16 GLU HG3 . 7002 1 212 . 1 1 16 16 GLU C C 13 175.79 0.20 . 1 . . . . 16 GLU C . 7002 1 213 . 1 1 16 16 GLU CA C 13 54.95 0.20 . 1 . . . . 16 GLU CA . 7002 1 214 . 1 1 16 16 GLU CB C 13 29.87 0.20 . 1 . . . . 16 GLU CB . 7002 1 215 . 1 1 16 16 GLU CG C 13 35.60 0.20 . 1 . . . . 16 GLU CG . 7002 1 216 . 1 1 16 16 GLU N N 15 121.50 0.30 . 1 . . . . 16 GLU N . 7002 1 217 . 1 1 17 17 VAL H H 1 8.95 0.03 . 1 . . . . 17 VAL H . 7002 1 218 . 1 1 17 17 VAL HA H 1 4.72 0.03 . 1 . . . . 17 VAL HA . 7002 1 219 . 1 1 17 17 VAL HB H 1 2.35 0.03 . 1 . . . . 17 VAL HB . 7002 1 220 . 1 1 17 17 VAL HG11 H 1 0.71 0.03 . 2 . . . . 17 VAL HG1 . 7002 1 221 . 1 1 17 17 VAL HG12 H 1 0.71 0.03 . 2 . . . . 17 VAL HG1 . 7002 1 222 . 1 1 17 17 VAL HG13 H 1 0.71 0.03 . 2 . . . . 17 VAL HG1 . 7002 1 223 . 1 1 17 17 VAL HG21 H 1 0.43 0.03 . 2 . . . . 17 VAL HG2 . 7002 1 224 . 1 1 17 17 VAL HG22 H 1 0.43 0.03 . 2 . . . . 17 VAL HG2 . 7002 1 225 . 1 1 17 17 VAL HG23 H 1 0.43 0.03 . 2 . . . . 17 VAL HG2 . 7002 1 226 . 1 1 17 17 VAL C C 13 174.07 0.20 . 1 . . . . 17 VAL C . 7002 1 227 . 1 1 17 17 VAL CA C 13 58.45 0.20 . 1 . . . . 17 VAL CA . 7002 1 228 . 1 1 17 17 VAL CB C 13 36.45 0.20 . 1 . . . . 17 VAL CB . 7002 1 229 . 1 1 17 17 VAL CG1 C 13 22.21 0.20 . 2 . . . . 17 VAL CG1 . 7002 1 230 . 1 1 17 17 VAL CG2 C 13 19.50 0.20 . 2 . . . . 17 VAL CG2 . 7002 1 231 . 1 1 17 17 VAL N N 15 116.43 0.30 . 1 . . . . 17 VAL N . 7002 1 232 . 1 1 18 18 GLU H H 1 8.66 0.03 . 1 . . . . 18 GLU H . 7002 1 233 . 1 1 18 18 GLU HA H 1 4.87 0.03 . 1 . . . . 18 GLU HA . 7002 1 234 . 1 1 18 18 GLU HB2 H 1 1.69 0.03 . 2 . . . . 18 GLU HB2 . 7002 1 235 . 1 1 18 18 GLU HB3 H 1 2.18 0.03 . 2 . . . . 18 GLU HB3 . 7002 1 236 . 1 1 18 18 GLU HG2 H 1 2.23 0.03 . 2 . . . . 18 GLU HG2 . 7002 1 237 . 1 1 18 18 GLU HG3 H 1 2.36 0.03 . 2 . . . . 18 GLU HG3 . 7002 1 238 . 1 1 18 18 GLU C C 13 178.12 0.20 . 1 . . . . 18 GLU C . 7002 1 239 . 1 1 18 18 GLU CA C 13 53.84 0.20 . 1 . . . . 18 GLU CA . 7002 1 240 . 1 1 18 18 GLU CB C 13 32.27 0.20 . 1 . . . . 18 GLU CB . 7002 1 241 . 1 1 18 18 GLU CG C 13 35.72 0.20 . 1 . . . . 18 GLU CG . 7002 1 242 . 1 1 18 18 GLU N N 15 117.23 0.30 . 1 . . . . 18 GLU N . 7002 1 243 . 1 1 19 19 SER H H 1 9.29 0.03 . 1 . . . . 19 SER H . 7002 1 244 . 1 1 19 19 SER HA H 1 3.94 0.03 . 1 . . . . 19 SER HA . 7002 1 245 . 1 1 19 19 SER HB3 H 1 3.90 0.03 . 2 . . . . 19 SER HB3 . 7002 1 246 . 1 1 19 19 SER C C 13 173.19 0.20 . 1 . . . . 19 SER C . 7002 1 247 . 1 1 19 19 SER CA C 13 62.20 0.20 . 1 . . . . 19 SER CA . 7002 1 248 . 1 1 19 19 SER CB C 13 62.90 0.20 . 1 . . . . 19 SER CB . 7002 1 249 . 1 1 19 19 SER N N 15 116.76 0.30 . 1 . . . . 19 SER N . 7002 1 250 . 1 1 20 20 SER H H 1 7.31 0.03 . 1 . . . . 20 SER H . 7002 1 251 . 1 1 20 20 SER HA H 1 4.41 0.03 . 1 . . . . 20 SER HA . 7002 1 252 . 1 1 20 20 SER HB2 H 1 3.78 0.03 . 2 . . . . 20 SER HB2 . 7002 1 253 . 1 1 20 20 SER HB3 H 1 4.16 0.03 . 2 . . . . 20 SER HB3 . 7002 1 254 . 1 1 20 20 SER C C 13 174.61 0.20 . 1 . . . . 20 SER C . 7002 1 255 . 1 1 20 20 SER CA C 13 57.63 0.20 . 1 . . . . 20 SER CA . 7002 1 256 . 1 1 20 20 SER CB C 13 63.48 0.20 . 1 . . . . 20 SER CB . 7002 1 257 . 1 1 20 20 SER N N 15 107.55 0.30 . 1 . . . . 20 SER N . 7002 1 258 . 1 1 21 21 ASP H H 1 7.88 0.03 . 1 . . . . 21 ASP H . 7002 1 259 . 1 1 21 21 ASP HA H 1 4.70 0.03 . 1 . . . . 21 ASP HA . 7002 1 260 . 1 1 21 21 ASP HB2 H 1 2.54 0.03 . 2 . . . . 21 ASP HB2 . 7002 1 261 . 1 1 21 21 ASP HB3 H 1 2.98 0.03 . 2 . . . . 21 ASP HB3 . 7002 1 262 . 1 1 21 21 ASP C C 13 176.25 0.20 . 1 . . . . 21 ASP C . 7002 1 263 . 1 1 21 21 ASP CA C 13 55.77 0.20 . 1 . . . . 21 ASP CA . 7002 1 264 . 1 1 21 21 ASP CB C 13 40.95 0.20 . 1 . . . . 21 ASP CB . 7002 1 265 . 1 1 21 21 ASP N N 15 122.44 0.30 . 1 . . . . 21 ASP N . 7002 1 266 . 1 1 22 22 THR H H 1 7.98 0.03 . 1 . . . . 22 THR H . 7002 1 267 . 1 1 22 22 THR HA H 1 4.98 0.03 . 1 . . . . 22 THR HA . 7002 1 268 . 1 1 22 22 THR HB H 1 4.77 0.03 . 1 . . . . 22 THR HB . 7002 1 269 . 1 1 22 22 THR HG21 H 1 1.26 0.03 . 1 . . . . 22 THR HG2 . 7002 1 270 . 1 1 22 22 THR HG22 H 1 1.26 0.03 . 1 . . . . 22 THR HG2 . 7002 1 271 . 1 1 22 22 THR HG23 H 1 1.26 0.03 . 1 . . . . 22 THR HG2 . 7002 1 272 . 1 1 22 22 THR C C 13 176.73 0.20 . 1 . . . . 22 THR C . 7002 1 273 . 1 1 22 22 THR CA C 13 59.67 0.20 . 1 . . . . 22 THR CA . 7002 1 274 . 1 1 22 22 THR CB C 13 71.40 0.20 . 1 . . . . 22 THR CB . 7002 1 275 . 1 1 22 22 THR CG2 C 13 22.05 0.20 . 1 . . . . 22 THR CG2 . 7002 1 276 . 1 1 22 22 THR N N 15 107.33 0.30 . 1 . . . . 22 THR N . 7002 1 277 . 1 1 23 23 ILE H H 1 8.73 0.03 . 1 . . . . 23 ILE H . 7002 1 278 . 1 1 23 23 ILE HA H 1 3.63 0.03 . 1 . . . . 23 ILE HA . 7002 1 279 . 1 1 23 23 ILE HB H 1 2.48 0.03 . 1 . . . . 23 ILE HB . 7002 1 280 . 1 1 23 23 ILE HG12 H 1 1.29 0.03 . 2 . . . . 23 ILE HG12 . 7002 1 281 . 1 1 23 23 ILE HG13 H 1 1.86 0.03 . 2 . . . . 23 ILE HG13 . 7002 1 282 . 1 1 23 23 ILE HG21 H 1 0.78 0.03 . 1 . . . . 23 ILE HG2 . 7002 1 283 . 1 1 23 23 ILE HG22 H 1 0.78 0.03 . 1 . . . . 23 ILE HG2 . 7002 1 284 . 1 1 23 23 ILE HG23 H 1 0.78 0.03 . 1 . . . . 23 ILE HG2 . 7002 1 285 . 1 1 23 23 ILE HD11 H 1 0.58 0.03 . 1 . . . . 23 ILE HD1 . 7002 1 286 . 1 1 23 23 ILE HD12 H 1 0.58 0.03 . 1 . . . . 23 ILE HD1 . 7002 1 287 . 1 1 23 23 ILE HD13 H 1 0.58 0.03 . 1 . . . . 23 ILE HD1 . 7002 1 288 . 1 1 23 23 ILE C C 13 178.35 0.20 . 1 . . . . 23 ILE C . 7002 1 289 . 1 1 23 23 ILE CA C 13 62.09 0.20 . 1 . . . . 23 ILE CA . 7002 1 290 . 1 1 23 23 ILE CB C 13 34.74 0.20 . 1 . . . . 23 ILE CB . 7002 1 291 . 1 1 23 23 ILE CG1 C 13 27.98 0.20 . 1 . . . . 23 ILE CG1 . 7002 1 292 . 1 1 23 23 ILE CG2 C 13 18.00 0.20 . 1 . . . . 23 ILE CG2 . 7002 1 293 . 1 1 23 23 ILE CD1 C 13 9.46 0.20 . 1 . . . . 23 ILE CD1 . 7002 1 294 . 1 1 23 23 ILE N N 15 120.33 0.30 . 1 . . . . 23 ILE N . 7002 1 295 . 1 1 24 24 ASP H H 1 9.48 0.03 . 1 . . . . 24 ASP H . 7002 1 296 . 1 1 24 24 ASP HA H 1 4.20 0.03 . 1 . . . . 24 ASP HA . 7002 1 297 . 1 1 24 24 ASP HB3 H 1 2.62 0.03 . 2 . . . . 24 ASP HB3 . 7002 1 298 . 1 1 24 24 ASP C C 13 178.56 0.20 . 1 . . . . 24 ASP C . 7002 1 299 . 1 1 24 24 ASP CA C 13 57.09 0.20 . 1 . . . . 24 ASP CA . 7002 1 300 . 1 1 24 24 ASP CB C 13 39.98 0.20 . 1 . . . . 24 ASP CB . 7002 1 301 . 1 1 24 24 ASP N N 15 117.22 0.30 . 1 . . . . 24 ASP N . 7002 1 302 . 1 1 25 25 ASN H H 1 8.03 0.03 . 1 . . . . 25 ASN H . 7002 1 303 . 1 1 25 25 ASN HA H 1 4.51 0.03 . 1 . . . . 25 ASN HA . 7002 1 304 . 1 1 25 25 ASN HB2 H 1 2.90 0.03 . 2 . . . . 25 ASN HB2 . 7002 1 305 . 1 1 25 25 ASN HB3 H 1 3.21 0.03 . 2 . . . . 25 ASN HB3 . 7002 1 306 . 1 1 25 25 ASN HD21 H 1 7.86 0.03 . 2 . . . . 25 ASN HD21 . 7002 1 307 . 1 1 25 25 ASN HD22 H 1 6.92 0.03 . 2 . . . . 25 ASN HD22 . 7002 1 308 . 1 1 25 25 ASN C C 13 178.38 0.20 . 1 . . . . 25 ASN C . 7002 1 309 . 1 1 25 25 ASN CA C 13 55.99 0.20 . 1 . . . . 25 ASN CA . 7002 1 310 . 1 1 25 25 ASN CB C 13 38.65 0.20 . 1 . . . . 25 ASN CB . 7002 1 311 . 1 1 25 25 ASN N N 15 118.41 0.30 . 1 . . . . 25 ASN N . 7002 1 312 . 1 1 25 25 ASN ND2 N 15 108.68 0.30 . 1 . . . . 25 ASN ND2 . 7002 1 313 . 1 1 26 26 VAL H H 1 8.14 0.03 . 1 . . . . 26 VAL H . 7002 1 314 . 1 1 26 26 VAL HA H 1 3.37 0.03 . 1 . . . . 26 VAL HA . 7002 1 315 . 1 1 26 26 VAL HB H 1 2.36 0.03 . 1 . . . . 26 VAL HB . 7002 1 316 . 1 1 26 26 VAL HG11 H 1 0.98 0.03 . 2 . . . . 26 VAL HG1 . 7002 1 317 . 1 1 26 26 VAL HG12 H 1 0.98 0.03 . 2 . . . . 26 VAL HG1 . 7002 1 318 . 1 1 26 26 VAL HG13 H 1 0.98 0.03 . 2 . . . . 26 VAL HG1 . 7002 1 319 . 1 1 26 26 VAL HG21 H 1 0.69 0.03 . 2 . . . . 26 VAL HG2 . 7002 1 320 . 1 1 26 26 VAL HG22 H 1 0.69 0.03 . 2 . . . . 26 VAL HG2 . 7002 1 321 . 1 1 26 26 VAL HG23 H 1 0.69 0.03 . 2 . . . . 26 VAL HG2 . 7002 1 322 . 1 1 26 26 VAL C C 13 177.66 0.20 . 1 . . . . 26 VAL C . 7002 1 323 . 1 1 26 26 VAL CA C 13 68.02 0.20 . 1 . . . . 26 VAL CA . 7002 1 324 . 1 1 26 26 VAL CB C 13 30.75 0.20 . 1 . . . . 26 VAL CB . 7002 1 325 . 1 1 26 26 VAL CG1 C 13 23.64 0.20 . 2 . . . . 26 VAL CG1 . 7002 1 326 . 1 1 26 26 VAL CG2 C 13 21.46 0.20 . 2 . . . . 26 VAL CG2 . 7002 1 327 . 1 1 26 26 VAL N N 15 120.94 0.30 . 1 . . . . 26 VAL N . 7002 1 328 . 1 1 27 27 LYS H H 1 8.59 0.03 . 1 . . . . 27 LYS H . 7002 1 329 . 1 1 27 27 LYS HA H 1 4.62 0.03 . 1 . . . . 27 LYS HA . 7002 1 330 . 1 1 27 27 LYS HB2 H 1 1.44 0.03 . 2 . . . . 27 LYS HB2 . 7002 1 331 . 1 1 27 27 LYS HB3 H 1 2.08 0.03 . 2 . . . . 27 LYS HB3 . 7002 1 332 . 1 1 27 27 LYS HG3 H 1 1.58 0.03 . 2 . . . . 27 LYS HG3 . 7002 1 333 . 1 1 27 27 LYS HD3 H 1 1.72 0.03 . 2 . . . . 27 LYS HD3 . 7002 1 334 . 1 1 27 27 LYS HE3 H 1 2.62 0.03 . 2 . . . . 27 LYS HE3 . 7002 1 335 . 1 1 27 27 LYS C C 13 180.91 0.20 . 1 . . . . 27 LYS C . 7002 1 336 . 1 1 27 27 LYS CA C 13 59.33 0.20 . 1 . . . . 27 LYS CA . 7002 1 337 . 1 1 27 27 LYS CB C 13 33.32 0.20 . 1 . . . . 27 LYS CB . 7002 1 338 . 1 1 27 27 LYS CG C 13 26.02 0.20 . 1 . . . . 27 LYS CG . 7002 1 339 . 1 1 27 27 LYS CD C 13 29.89 0.20 . 1 . . . . 27 LYS CD . 7002 1 340 . 1 1 27 27 LYS CE C 13 42.34 0.20 . 1 . . . . 27 LYS CE . 7002 1 341 . 1 1 27 27 LYS N N 15 117.56 0.30 . 1 . . . . 27 LYS N . 7002 1 342 . 1 1 28 28 SER H H 1 8.19 0.03 . 1 . . . . 28 SER H . 7002 1 343 . 1 1 28 28 SER HA H 1 4.21 0.03 . 1 . . . . 28 SER HA . 7002 1 344 . 1 1 28 28 SER HB3 H 1 4.13 0.03 . 2 . . . . 28 SER HB3 . 7002 1 345 . 1 1 28 28 SER C C 13 176.44 0.20 . 1 . . . . 28 SER C . 7002 1 346 . 1 1 28 28 SER CA C 13 62.41 0.20 . 1 . . . . 28 SER CA . 7002 1 347 . 1 1 28 28 SER CB C 13 62.54 0.20 . 1 . . . . 28 SER CB . 7002 1 348 . 1 1 28 28 SER N N 15 116.30 0.30 . 1 . . . . 28 SER N . 7002 1 349 . 1 1 29 29 LYS H H 1 8.04 0.03 . 1 . . . . 29 LYS H . 7002 1 350 . 1 1 29 29 LYS HA H 1 4.23 0.03 . 1 . . . . 29 LYS HA . 7002 1 351 . 1 1 29 29 LYS HB2 H 1 1.93 0.03 . 2 . . . . 29 LYS HB2 . 7002 1 352 . 1 1 29 29 LYS HB3 H 1 2.13 0.03 . 2 . . . . 29 LYS HB3 . 7002 1 353 . 1 1 29 29 LYS HG2 H 1 1.59 0.03 . 2 . . . . 29 LYS HG2 . 7002 1 354 . 1 1 29 29 LYS HG3 H 1 1.76 0.03 . 2 . . . . 29 LYS HG3 . 7002 1 355 . 1 1 29 29 LYS HD2 H 1 1.44 0.03 . 2 . . . . 29 LYS HD2 . 7002 1 356 . 1 1 29 29 LYS HD3 H 1 1.79 0.03 . 2 . . . . 29 LYS HD3 . 7002 1 357 . 1 1 29 29 LYS HE2 H 1 2.97 0.03 . 2 . . . . 29 LYS HE2 . 7002 1 358 . 1 1 29 29 LYS HE3 H 1 3.17 0.03 . 2 . . . . 29 LYS HE3 . 7002 1 359 . 1 1 29 29 LYS C C 13 180.20 0.20 . 1 . . . . 29 LYS C . 7002 1 360 . 1 1 29 29 LYS CA C 13 59.90 0.20 . 1 . . . . 29 LYS CA . 7002 1 361 . 1 1 29 29 LYS CB C 13 33.35 0.20 . 1 . . . . 29 LYS CB . 7002 1 362 . 1 1 29 29 LYS CG C 13 26.70 0.20 . 1 . . . . 29 LYS CG . 7002 1 363 . 1 1 29 29 LYS CD C 13 30.21 0.20 . 1 . . . . 29 LYS CD . 7002 1 364 . 1 1 29 29 LYS CE C 13 42.33 0.20 . 1 . . . . 29 LYS CE . 7002 1 365 . 1 1 29 29 LYS N N 15 122.25 0.30 . 1 . . . . 29 LYS N . 7002 1 366 . 1 1 30 30 ILE H H 1 8.33 0.03 . 1 . . . . 30 ILE H . 7002 1 367 . 1 1 30 30 ILE HA H 1 3.48 0.03 . 1 . . . . 30 ILE HA . 7002 1 368 . 1 1 30 30 ILE HB H 1 2.34 0.03 . 1 . . . . 30 ILE HB . 7002 1 369 . 1 1 30 30 ILE HG12 H 1 0.70 0.03 . 2 . . . . 30 ILE HG12 . 7002 1 370 . 1 1 30 30 ILE HG13 H 1 2.03 0.03 . 2 . . . . 30 ILE HG13 . 7002 1 371 . 1 1 30 30 ILE HG21 H 1 0.71 0.03 . 1 . . . . 30 ILE HG2 . 7002 1 372 . 1 1 30 30 ILE HG22 H 1 0.71 0.03 . 1 . . . . 30 ILE HG2 . 7002 1 373 . 1 1 30 30 ILE HG23 H 1 0.71 0.03 . 1 . . . . 30 ILE HG2 . 7002 1 374 . 1 1 30 30 ILE HD11 H 1 0.90 0.03 . 1 . . . . 30 ILE HD1 . 7002 1 375 . 1 1 30 30 ILE HD12 H 1 0.90 0.03 . 1 . . . . 30 ILE HD1 . 7002 1 376 . 1 1 30 30 ILE HD13 H 1 0.90 0.03 . 1 . . . . 30 ILE HD1 . 7002 1 377 . 1 1 30 30 ILE C C 13 178.14 0.20 . 1 . . . . 30 ILE C . 7002 1 378 . 1 1 30 30 ILE CA C 13 65.98 0.20 . 1 . . . . 30 ILE CA . 7002 1 379 . 1 1 30 30 ILE CB C 13 36.90 0.20 . 1 . . . . 30 ILE CB . 7002 1 380 . 1 1 30 30 ILE CG1 C 13 31.09 0.20 . 1 . . . . 30 ILE CG1 . 7002 1 381 . 1 1 30 30 ILE CG2 C 13 17.18 0.20 . 1 . . . . 30 ILE CG2 . 7002 1 382 . 1 1 30 30 ILE CD1 C 13 15.11 0.20 . 1 . . . . 30 ILE CD1 . 7002 1 383 . 1 1 30 30 ILE N N 15 120.21 0.30 . 1 . . . . 30 ILE N . 7002 1 384 . 1 1 31 31 GLN H H 1 8.51 0.03 . 1 . . . . 31 GLN H . 7002 1 385 . 1 1 31 31 GLN HA H 1 3.83 0.03 . 1 . . . . 31 GLN HA . 7002 1 386 . 1 1 31 31 GLN HB2 H 1 1.96 0.03 . 2 . . . . 31 GLN HB2 . 7002 1 387 . 1 1 31 31 GLN HB3 H 1 2.56 0.03 . 2 . . . . 31 GLN HB3 . 7002 1 388 . 1 1 31 31 GLN HG2 H 1 1.94 0.03 . 2 . . . . 31 GLN HG2 . 7002 1 389 . 1 1 31 31 GLN HG3 H 1 2.30 0.03 . 2 . . . . 31 GLN HG3 . 7002 1 390 . 1 1 31 31 GLN HE21 H 1 7.72 0.03 . 2 . . . . 31 GLN HE21 . 7002 1 391 . 1 1 31 31 GLN HE22 H 1 6.87 0.03 . 2 . . . . 31 GLN HE22 . 7002 1 392 . 1 1 31 31 GLN C C 13 178.91 0.20 . 1 . . . . 31 GLN C . 7002 1 393 . 1 1 31 31 GLN CA C 13 60.06 0.20 . 1 . . . . 31 GLN CA . 7002 1 394 . 1 1 31 31 GLN CB C 13 27.52 0.20 . 1 . . . . 31 GLN CB . 7002 1 395 . 1 1 31 31 GLN CG C 13 33.84 0.20 . 1 . . . . 31 GLN CG . 7002 1 396 . 1 1 31 31 GLN N N 15 122.44 0.30 . 1 . . . . 31 GLN N . 7002 1 397 . 1 1 31 31 GLN NE2 N 15 109.36 0.30 . 1 . . . . 31 GLN NE2 . 7002 1 398 . 1 1 32 32 ASP H H 1 8.19 0.03 . 1 . . . . 32 ASP H . 7002 1 399 . 1 1 32 32 ASP HA H 1 4.33 0.03 . 1 . . . . 32 ASP HA . 7002 1 400 . 1 1 32 32 ASP HB2 H 1 2.75 0.03 . 2 . . . . 32 ASP HB2 . 7002 1 401 . 1 1 32 32 ASP HB3 H 1 2.86 0.03 . 2 . . . . 32 ASP HB3 . 7002 1 402 . 1 1 32 32 ASP C C 13 177.41 0.20 . 1 . . . . 32 ASP C . 7002 1 403 . 1 1 32 32 ASP CA C 13 57.17 0.20 . 1 . . . . 32 ASP CA . 7002 1 404 . 1 1 32 32 ASP CB C 13 40.90 0.20 . 1 . . . . 32 ASP CB . 7002 1 405 . 1 1 32 32 ASP N N 15 119.11 0.30 . 1 . . . . 32 ASP N . 7002 1 406 . 1 1 33 33 LYS H H 1 7.51 0.03 . 1 . . . . 33 LYS H . 7002 1 407 . 1 1 33 33 LYS HA H 1 4.30 0.03 . 1 . . . . 33 LYS HA . 7002 1 408 . 1 1 33 33 LYS HB2 H 1 1.85 0.03 . 2 . . . . 33 LYS HB2 . 7002 1 409 . 1 1 33 33 LYS HB3 H 1 2.03 0.03 . 2 . . . . 33 LYS HB3 . 7002 1 410 . 1 1 33 33 LYS HG3 H 1 1.60 0.03 . 2 . . . . 33 LYS HG3 . 7002 1 411 . 1 1 33 33 LYS HD3 H 1 1.71 0.03 . 2 . . . . 33 LYS HD3 . 7002 1 412 . 1 1 33 33 LYS HE2 H 1 3.12 0.03 . 2 . . . . 33 LYS HE2 . 7002 1 413 . 1 1 33 33 LYS HE3 H 1 3.18 0.03 . 2 . . . . 33 LYS HE3 . 7002 1 414 . 1 1 33 33 LYS C C 13 177.81 0.20 . 1 . . . . 33 LYS C . 7002 1 415 . 1 1 33 33 LYS CA C 13 58.48 0.20 . 1 . . . . 33 LYS CA . 7002 1 416 . 1 1 33 33 LYS CB C 13 34.12 0.20 . 1 . . . . 33 LYS CB . 7002 1 417 . 1 1 33 33 LYS CG C 13 25.52 0.20 . 1 . . . . 33 LYS CG . 7002 1 418 . 1 1 33 33 LYS CD C 13 29.05 0.20 . 1 . . . . 33 LYS CD . 7002 1 419 . 1 1 33 33 LYS CE C 13 42.05 0.20 . 1 . . . . 33 LYS CE . 7002 1 420 . 1 1 33 33 LYS N N 15 114.69 0.30 . 1 . . . . 33 LYS N . 7002 1 421 . 1 1 34 34 GLU H H 1 8.73 0.03 . 1 . . . . 34 GLU H . 7002 1 422 . 1 1 34 34 GLU HA H 1 4.58 0.03 . 1 . . . . 34 GLU HA . 7002 1 423 . 1 1 34 34 GLU HB2 H 1 1.67 0.03 . 2 . . . . 34 GLU HB2 . 7002 1 424 . 1 1 34 34 GLU HB3 H 1 2.30 0.03 . 2 . . . . 34 GLU HB3 . 7002 1 425 . 1 1 34 34 GLU HG2 H 1 2.08 0.03 . 2 . . . . 34 GLU HG2 . 7002 1 426 . 1 1 34 34 GLU HG3 H 1 2.16 0.03 . 2 . . . . 34 GLU HG3 . 7002 1 427 . 1 1 34 34 GLU C C 13 177.91 0.20 . 1 . . . . 34 GLU C . 7002 1 428 . 1 1 34 34 GLU CA C 13 55.02 0.20 . 1 . . . . 34 GLU CA . 7002 1 429 . 1 1 34 34 GLU CB C 13 33.42 0.20 . 1 . . . . 34 GLU CB . 7002 1 430 . 1 1 34 34 GLU CG C 13 36.20 0.20 . 1 . . . . 34 GLU CG . 7002 1 431 . 1 1 34 34 GLU N N 15 112.83 0.30 . 1 . . . . 34 GLU N . 7002 1 432 . 1 1 35 35 GLY H H 1 8.56 0.03 . 1 . . . . 35 GLY H . 7002 1 433 . 1 1 35 35 GLY HA2 H 1 3.92 0.03 . 2 . . . . 35 GLY HA2 . 7002 1 434 . 1 1 35 35 GLY HA3 H 1 4.14 0.03 . 2 . . . . 35 GLY HA3 . 7002 1 435 . 1 1 35 35 GLY C C 13 173.91 0.20 . 1 . . . . 35 GLY C . 7002 1 436 . 1 1 35 35 GLY CA C 13 46.05 0.20 . 1 . . . . 35 GLY CA . 7002 1 437 . 1 1 35 35 GLY N N 15 107.95 0.30 . 1 . . . . 35 GLY N . 7002 1 438 . 1 1 36 36 ILE H H 1 6.16 0.03 . 1 . . . . 36 ILE H . 7002 1 439 . 1 1 36 36 ILE HA H 1 4.42 0.03 . 1 . . . . 36 ILE HA . 7002 1 440 . 1 1 36 36 ILE HB H 1 1.41 0.03 . 1 . . . . 36 ILE HB . 7002 1 441 . 1 1 36 36 ILE HG12 H 1 1.10 0.03 . 2 . . . . 36 ILE HG12 . 7002 1 442 . 1 1 36 36 ILE HG13 H 1 1.38 0.03 . 2 . . . . 36 ILE HG13 . 7002 1 443 . 1 1 36 36 ILE HG21 H 1 0.94 0.03 . 1 . . . . 36 ILE HG2 . 7002 1 444 . 1 1 36 36 ILE HG22 H 1 0.94 0.03 . 1 . . . . 36 ILE HG2 . 7002 1 445 . 1 1 36 36 ILE HG23 H 1 0.94 0.03 . 1 . . . . 36 ILE HG2 . 7002 1 446 . 1 1 36 36 ILE HD11 H 1 0.78 0.03 . 1 . . . . 36 ILE HD1 . 7002 1 447 . 1 1 36 36 ILE HD12 H 1 0.78 0.03 . 1 . . . . 36 ILE HD1 . 7002 1 448 . 1 1 36 36 ILE HD13 H 1 0.78 0.03 . 1 . . . . 36 ILE HD1 . 7002 1 449 . 1 1 36 36 ILE CA C 13 58.16 0.20 . 1 . . . . 36 ILE CA . 7002 1 450 . 1 1 36 36 ILE CB C 13 40.62 0.20 . 1 . . . . 36 ILE CB . 7002 1 451 . 1 1 36 36 ILE CG1 C 13 27.00 0.20 . 1 . . . . 36 ILE CG1 . 7002 1 452 . 1 1 36 36 ILE CG2 C 13 18.02 0.20 . 1 . . . . 36 ILE CG2 . 7002 1 453 . 1 1 36 36 ILE CD1 C 13 13.62 0.20 . 1 . . . . 36 ILE CD1 . 7002 1 454 . 1 1 36 36 ILE N N 15 119.37 0.30 . 1 . . . . 36 ILE N . 7002 1 455 . 1 1 37 37 PRO HA H 1 4.63 0.03 . 1 . . . . 37 PRO HA . 7002 1 456 . 1 1 37 37 PRO HB2 H 1 1.97 0.03 . 2 . . . . 37 PRO HB2 . 7002 1 457 . 1 1 37 37 PRO HB3 H 1 2.42 0.03 . 2 . . . . 37 PRO HB3 . 7002 1 458 . 1 1 37 37 PRO HG2 H 1 2.04 0.03 . 2 . . . . 37 PRO HG2 . 7002 1 459 . 1 1 37 37 PRO HG3 H 1 2.11 0.03 . 2 . . . . 37 PRO HG3 . 7002 1 460 . 1 1 37 37 PRO HD2 H 1 3.57 0.03 . 2 . . . . 37 PRO HD2 . 7002 1 461 . 1 1 37 37 PRO HD3 H 1 4.20 0.03 . 2 . . . . 37 PRO HD3 . 7002 1 462 . 1 1 37 37 PRO CA C 13 61.66 0.20 . 1 . . . . 37 PRO CA . 7002 1 463 . 1 1 37 37 PRO CB C 13 31.95 0.20 . 1 . . . . 37 PRO CB . 7002 1 464 . 1 1 37 37 PRO CG C 13 28.25 0.20 . 1 . . . . 37 PRO CG . 7002 1 465 . 1 1 37 37 PRO CD C 13 51.20 0.20 . 1 . . . . 37 PRO CD . 7002 1 466 . 1 1 38 38 PRO HA H 1 4.12 0.03 . 1 . . . . 38 PRO HA . 7002 1 467 . 1 1 38 38 PRO HB2 H 1 2.02 0.03 . 2 . . . . 38 PRO HB2 . 7002 1 468 . 1 1 38 38 PRO HB3 H 1 2.26 0.03 . 2 . . . . 38 PRO HB3 . 7002 1 469 . 1 1 38 38 PRO HG2 H 1 1.62 0.03 . 2 . . . . 38 PRO HG2 . 7002 1 470 . 1 1 38 38 PRO HG3 H 1 2.18 0.03 . 2 . . . . 38 PRO HG3 . 7002 1 471 . 1 1 38 38 PRO HD3 H 1 3.77 0.03 . 2 . . . . 38 PRO HD3 . 7002 1 472 . 1 1 38 38 PRO C C 13 178.19 0.20 . 1 . . . . 38 PRO C . 7002 1 473 . 1 1 38 38 PRO CA C 13 66.23 0.20 . 1 . . . . 38 PRO CA . 7002 1 474 . 1 1 38 38 PRO CB C 13 32.91 0.20 . 1 . . . . 38 PRO CB . 7002 1 475 . 1 1 38 38 PRO CG C 13 27.77 0.20 . 1 . . . . 38 PRO CG . 7002 1 476 . 1 1 38 38 PRO CD C 13 51.41 0.20 . 1 . . . . 38 PRO CD . 7002 1 477 . 1 1 39 39 ASP H H 1 8.54 0.03 . 1 . . . . 39 ASP H . 7002 1 478 . 1 1 39 39 ASP HA H 1 4.41 0.03 . 1 . . . . 39 ASP HA . 7002 1 479 . 1 1 39 39 ASP HB2 H 1 2.68 0.03 . 2 . . . . 39 ASP HB2 . 7002 1 480 . 1 1 39 39 ASP HB3 H 1 2.77 0.03 . 2 . . . . 39 ASP HB3 . 7002 1 481 . 1 1 39 39 ASP C C 13 177.12 0.20 . 1 . . . . 39 ASP C . 7002 1 482 . 1 1 39 39 ASP CA C 13 55.80 0.20 . 1 . . . . 39 ASP CA . 7002 1 483 . 1 1 39 39 ASP CB C 13 39.85 0.20 . 1 . . . . 39 ASP CB . 7002 1 484 . 1 1 39 39 ASP N N 15 112.24 0.30 . 1 . . . . 39 ASP N . 7002 1 485 . 1 1 40 40 GLN H H 1 7.82 0.03 . 1 . . . . 40 GLN H . 7002 1 486 . 1 1 40 40 GLN HA H 1 4.41 0.03 . 1 . . . . 40 GLN HA . 7002 1 487 . 1 1 40 40 GLN HB2 H 1 1.86 0.03 . 2 . . . . 40 GLN HB2 . 7002 1 488 . 1 1 40 40 GLN HB3 H 1 2.45 0.03 . 2 . . . . 40 GLN HB3 . 7002 1 489 . 1 1 40 40 GLN HG3 H 1 2.43 0.03 . 2 . . . . 40 GLN HG3 . 7002 1 490 . 1 1 40 40 GLN HE21 H 1 7.64 0.03 . 2 . . . . 40 GLN HE21 . 7002 1 491 . 1 1 40 40 GLN HE22 H 1 6.74 0.03 . 2 . . . . 40 GLN HE22 . 7002 1 492 . 1 1 40 40 GLN C C 13 175.22 0.20 . 1 . . . . 40 GLN C . 7002 1 493 . 1 1 40 40 GLN CA C 13 55.62 0.20 . 1 . . . . 40 GLN CA . 7002 1 494 . 1 1 40 40 GLN CB C 13 30.32 0.20 . 1 . . . . 40 GLN CB . 7002 1 495 . 1 1 40 40 GLN CG C 13 34.41 0.20 . 1 . . . . 40 GLN CG . 7002 1 496 . 1 1 40 40 GLN N N 15 115.94 0.30 . 1 . . . . 40 GLN N . 7002 1 497 . 1 1 40 40 GLN NE2 N 15 109.96 0.30 . 1 . . . . 40 GLN NE2 . 7002 1 498 . 1 1 41 41 GLN H H 1 7.47 0.03 . 1 . . . . 41 GLN H . 7002 1 499 . 1 1 41 41 GLN HA H 1 4.13 0.03 . 1 . . . . 41 GLN HA . 7002 1 500 . 1 1 41 41 GLN HB2 H 1 1.81 0.03 . 2 . . . . 41 GLN HB2 . 7002 1 501 . 1 1 41 41 GLN HB3 H 1 1.97 0.03 . 2 . . . . 41 GLN HB3 . 7002 1 502 . 1 1 41 41 GLN HG2 H 1 1.66 0.03 . 2 . . . . 41 GLN HG2 . 7002 1 503 . 1 1 41 41 GLN HG3 H 1 2.56 0.03 . 2 . . . . 41 GLN HG3 . 7002 1 504 . 1 1 41 41 GLN HE21 H 1 6.47 0.03 . 2 . . . . 41 GLN HE21 . 7002 1 505 . 1 1 41 41 GLN HE22 H 1 6.11 0.03 . 2 . . . . 41 GLN HE22 . 7002 1 506 . 1 1 41 41 GLN C C 13 176.28 0.20 . 1 . . . . 41 GLN C . 7002 1 507 . 1 1 41 41 GLN CA C 13 56.76 0.20 . 1 . . . . 41 GLN CA . 7002 1 508 . 1 1 41 41 GLN CB C 13 31.46 0.20 . 1 . . . . 41 GLN CB . 7002 1 509 . 1 1 41 41 GLN CG C 13 33.53 0.20 . 1 . . . . 41 GLN CG . 7002 1 510 . 1 1 41 41 GLN N N 15 116.39 0.30 . 1 . . . . 41 GLN N . 7002 1 511 . 1 1 41 41 GLN NE2 N 15 102.78 0.30 . 1 . . . . 41 GLN NE2 . 7002 1 512 . 1 1 42 42 ARG H H 1 8.55 0.03 . 1 . . . . 42 ARG H . 7002 1 513 . 1 1 42 42 ARG HA H 1 4.57 0.03 . 1 . . . . 42 ARG HA . 7002 1 514 . 1 1 42 42 ARG HB2 H 1 1.58 0.03 . 2 . . . . 42 ARG HB2 . 7002 1 515 . 1 1 42 42 ARG HB3 H 1 1.82 0.03 . 2 . . . . 42 ARG HB3 . 7002 1 516 . 1 1 42 42 ARG HG2 H 1 1.43 0.03 . 2 . . . . 42 ARG HG2 . 7002 1 517 . 1 1 42 42 ARG HG3 H 1 1.60 0.03 . 2 . . . . 42 ARG HG3 . 7002 1 518 . 1 1 42 42 ARG HD2 H 1 2.95 0.03 . 2 . . . . 42 ARG HD2 . 7002 1 519 . 1 1 42 42 ARG HD3 H 1 3.06 0.03 . 2 . . . . 42 ARG HD3 . 7002 1 520 . 1 1 42 42 ARG C C 13 174.03 0.20 . 1 . . . . 42 ARG C . 7002 1 521 . 1 1 42 42 ARG CA C 13 55.24 0.20 . 1 . . . . 42 ARG CA . 7002 1 522 . 1 1 42 42 ARG CB C 13 31.82 0.20 . 1 . . . . 42 ARG CB . 7002 1 523 . 1 1 42 42 ARG CG C 13 26.64 0.20 . 1 . . . . 42 ARG CG . 7002 1 524 . 1 1 42 42 ARG CD C 13 44.27 0.20 . 1 . . . . 42 ARG CD . 7002 1 525 . 1 1 42 42 ARG N N 15 120.65 0.30 . 1 . . . . 42 ARG N . 7002 1 526 . 1 1 43 43 LEU H H 1 8.80 0.03 . 1 . . . . 43 LEU H . 7002 1 527 . 1 1 43 43 LEU HA H 1 5.42 0.03 . 1 . . . . 43 LEU HA . 7002 1 528 . 1 1 43 43 LEU HB2 H 1 1.18 0.03 . 2 . . . . 43 LEU HB2 . 7002 1 529 . 1 1 43 43 LEU HB3 H 1 1.60 0.03 . 2 . . . . 43 LEU HB3 . 7002 1 530 . 1 1 43 43 LEU HG H 1 1.51 0.03 . 1 . . . . 43 LEU HG . 7002 1 531 . 1 1 43 43 LEU HD11 H 1 0.81 0.03 . 2 . . . . 43 LEU HD1 . 7002 1 532 . 1 1 43 43 LEU HD12 H 1 0.81 0.03 . 2 . . . . 43 LEU HD1 . 7002 1 533 . 1 1 43 43 LEU HD13 H 1 0.81 0.03 . 2 . . . . 43 LEU HD1 . 7002 1 534 . 1 1 43 43 LEU HD21 H 1 0.77 0.03 . 2 . . . . 43 LEU HD2 . 7002 1 535 . 1 1 43 43 LEU HD22 H 1 0.77 0.03 . 2 . . . . 43 LEU HD2 . 7002 1 536 . 1 1 43 43 LEU HD23 H 1 0.77 0.03 . 2 . . . . 43 LEU HD2 . 7002 1 537 . 1 1 43 43 LEU C C 13 175.69 0.20 . 1 . . . . 43 LEU C . 7002 1 538 . 1 1 43 43 LEU CA C 13 53.04 0.20 . 1 . . . . 43 LEU CA . 7002 1 539 . 1 1 43 43 LEU CB C 13 45.95 0.20 . 1 . . . . 43 LEU CB . 7002 1 540 . 1 1 43 43 LEU CG C 13 26.37 0.20 . 1 . . . . 43 LEU CG . 7002 1 541 . 1 1 43 43 LEU CD1 C 13 24.34 0.20 . 2 . . . . 43 LEU CD1 . 7002 1 542 . 1 1 43 43 LEU CD2 C 13 26.73 0.20 . 2 . . . . 43 LEU CD2 . 7002 1 543 . 1 1 43 43 LEU N N 15 122.27 0.30 . 1 . . . . 43 LEU N . 7002 1 544 . 1 1 44 44 ILE H H 1 9.20 0.03 . 1 . . . . 44 ILE H . 7002 1 545 . 1 1 44 44 ILE HA H 1 5.01 0.03 . 1 . . . . 44 ILE HA . 7002 1 546 . 1 1 44 44 ILE HB H 1 1.70 0.03 . 1 . . . . 44 ILE HB . 7002 1 547 . 1 1 44 44 ILE HG12 H 1 0.96 0.03 . 2 . . . . 44 ILE HG12 . 7002 1 548 . 1 1 44 44 ILE HG13 H 1 1.44 0.03 . 2 . . . . 44 ILE HG13 . 7002 1 549 . 1 1 44 44 ILE HG21 H 1 0.71 0.03 . 1 . . . . 44 ILE HG2 . 7002 1 550 . 1 1 44 44 ILE HG22 H 1 0.71 0.03 . 1 . . . . 44 ILE HG2 . 7002 1 551 . 1 1 44 44 ILE HG23 H 1 0.71 0.03 . 1 . . . . 44 ILE HG2 . 7002 1 552 . 1 1 44 44 ILE HD11 H 1 0.82 0.03 . 1 . . . . 44 ILE HD1 . 7002 1 553 . 1 1 44 44 ILE HD12 H 1 0.82 0.03 . 1 . . . . 44 ILE HD1 . 7002 1 554 . 1 1 44 44 ILE HD13 H 1 0.82 0.03 . 1 . . . . 44 ILE HD1 . 7002 1 555 . 1 1 44 44 ILE C C 13 175.82 0.20 . 1 . . . . 44 ILE C . 7002 1 556 . 1 1 44 44 ILE CA C 13 59.55 0.20 . 1 . . . . 44 ILE CA . 7002 1 557 . 1 1 44 44 ILE CB C 13 42.09 0.20 . 1 . . . . 44 ILE CB . 7002 1 558 . 1 1 44 44 ILE CG1 C 13 28.41 0.20 . 1 . . . . 44 ILE CG1 . 7002 1 559 . 1 1 44 44 ILE CG2 C 13 17.95 0.20 . 1 . . . . 44 ILE CG2 . 7002 1 560 . 1 1 44 44 ILE CD1 C 13 14.84 0.20 . 1 . . . . 44 ILE CD1 . 7002 1 561 . 1 1 44 44 ILE N N 15 120.50 0.30 . 1 . . . . 44 ILE N . 7002 1 562 . 1 1 45 45 PHE H H 1 8.70 0.03 . 1 . . . . 45 PHE H . 7002 1 563 . 1 1 45 45 PHE HA H 1 4.97 0.03 . 1 . . . . 45 PHE HA . 7002 1 564 . 1 1 45 45 PHE HB2 H 1 2.80 0.03 . 2 . . . . 45 PHE HB2 . 7002 1 565 . 1 1 45 45 PHE HB3 H 1 3.11 0.03 . 2 . . . . 45 PHE HB3 . 7002 1 566 . 1 1 45 45 PHE HD1 H 1 7.39 0.03 . 3 . . . . 45 PHE HD1 . 7002 1 567 . 1 1 45 45 PHE HE1 H 1 7.53 0.03 . 3 . . . . 45 PHE HE1 . 7002 1 568 . 1 1 45 45 PHE HZ H 1 7.46 0.03 . 1 . . . . 45 PHE HZ . 7002 1 569 . 1 1 45 45 PHE C C 13 174.50 0.20 . 1 . . . . 45 PHE C . 7002 1 570 . 1 1 45 45 PHE CA C 13 57.38 0.20 . 1 . . . . 45 PHE CA . 7002 1 571 . 1 1 45 45 PHE CB C 13 44.15 0.20 . 1 . . . . 45 PHE CB . 7002 1 572 . 1 1 45 45 PHE N N 15 123.59 0.30 . 1 . . . . 45 PHE N . 7002 1 573 . 1 1 46 46 ALA H H 1 8.83 0.03 . 1 . . . . 46 ALA H . 7002 1 574 . 1 1 46 46 ALA HA H 1 3.63 0.03 . 1 . . . . 46 ALA HA . 7002 1 575 . 1 1 46 46 ALA HB1 H 1 0.95 0.03 . 1 . . . . 46 ALA HB . 7002 1 576 . 1 1 46 46 ALA HB2 H 1 0.95 0.03 . 1 . . . . 46 ALA HB . 7002 1 577 . 1 1 46 46 ALA HB3 H 1 0.95 0.03 . 1 . . . . 46 ALA HB . 7002 1 578 . 1 1 46 46 ALA C C 13 177.10 0.20 . 1 . . . . 46 ALA C . 7002 1 579 . 1 1 46 46 ALA CA C 13 52.81 0.20 . 1 . . . . 46 ALA CA . 7002 1 580 . 1 1 46 46 ALA CB C 13 16.70 0.20 . 1 . . . . 46 ALA CB . 7002 1 581 . 1 1 46 46 ALA N N 15 104.64 0.30 . 1 . . . . 46 ALA N . 7002 1 582 . 1 1 47 47 GLY H H 1 8.09 0.03 . 1 . . . . 47 GLY H . 7002 1 583 . 1 1 47 47 GLY HA3 H 1 3.59 0.03 . 2 . . . . 47 GLY HA3 . 7002 1 584 . 1 1 47 47 GLY C C 13 172.56 0.20 . 1 . . . . 47 GLY C . 7002 1 585 . 1 1 47 47 GLY CA C 13 45.02 0.20 . 1 . . . . 47 GLY CA . 7002 1 586 . 1 1 47 47 GLY N N 15 127.24 0.30 . 1 . . . . 47 GLY N . 7002 1 587 . 1 1 48 48 LYS H H 1 7.65 0.03 . 1 . . . . 48 LYS H . 7002 1 588 . 1 1 48 48 LYS HA H 1 4.62 0.03 . 1 . . . . 48 LYS HA . 7002 1 589 . 1 1 48 48 LYS HB3 H 1 1.86 0.03 . 2 . . . . 48 LYS HB3 . 7002 1 590 . 1 1 48 48 LYS HG3 H 1 1.51 0.03 . 2 . . . . 48 LYS HG3 . 7002 1 591 . 1 1 48 48 LYS HD3 H 1 1.85 0.03 . 2 . . . . 48 LYS HD3 . 7002 1 592 . 1 1 48 48 LYS HE3 H 1 3.15 0.03 . 2 . . . . 48 LYS HE3 . 7002 1 593 . 1 1 48 48 LYS C C 13 174.50 0.20 . 1 . . . . 48 LYS C . 7002 1 594 . 1 1 48 48 LYS CA C 13 54.16 0.20 . 1 . . . . 48 LYS CA . 7002 1 595 . 1 1 48 48 LYS CB C 13 35.16 0.20 . 1 . . . . 48 LYS CB . 7002 1 596 . 1 1 48 48 LYS CG C 13 24.16 0.20 . 1 . . . . 48 LYS CG . 7002 1 597 . 1 1 48 48 LYS CD C 13 28.93 0.20 . 1 . . . . 48 LYS CD . 7002 1 598 . 1 1 48 48 LYS CE C 13 42.16 0.20 . 1 . . . . 48 LYS CE . 7002 1 599 . 1 1 48 48 LYS N N 15 117.78 0.30 . 1 . . . . 48 LYS N . 7002 1 600 . 1 1 49 49 GLN H H 1 8.74 0.03 . 1 . . . . 49 GLN H . 7002 1 601 . 1 1 49 49 GLN HA H 1 4.67 0.03 . 1 . . . . 49 GLN HA . 7002 1 602 . 1 1 49 49 GLN HB3 H 1 2.02 0.03 . 2 . . . . 49 GLN HB3 . 7002 1 603 . 1 1 49 49 GLN HG2 H 1 2.25 0.03 . 2 . . . . 49 GLN HG2 . 7002 1 604 . 1 1 49 49 GLN HG3 H 1 2.31 0.03 . 2 . . . . 49 GLN HG3 . 7002 1 605 . 1 1 49 49 GLN HE21 H 1 7.76 0.03 . 2 . . . . 49 GLN HE21 . 7002 1 606 . 1 1 49 49 GLN HE22 H 1 7.08 0.03 . 2 . . . . 49 GLN HE22 . 7002 1 607 . 1 1 49 49 GLN C C 13 175.48 0.20 . 1 . . . . 49 GLN C . 7002 1 608 . 1 1 49 49 GLN CA C 13 55.35 0.20 . 1 . . . . 49 GLN CA . 7002 1 609 . 1 1 49 49 GLN CB C 13 29.50 0.20 . 1 . . . . 49 GLN CB . 7002 1 610 . 1 1 49 49 GLN CG C 13 35.02 0.20 . 1 . . . . 49 GLN CG . 7002 1 611 . 1 1 49 49 GLN N N 15 119.89 0.30 . 1 . . . . 49 GLN N . 7002 1 612 . 1 1 49 49 GLN NE2 N 15 111.43 0.30 . 1 . . . . 49 GLN NE2 . 7002 1 613 . 1 1 50 50 LEU H H 1 8.58 0.03 . 1 . . . . 50 LEU H . 7002 1 614 . 1 1 50 50 LEU HA H 1 4.08 0.03 . 1 . . . . 50 LEU HA . 7002 1 615 . 1 1 50 50 LEU HB2 H 1 0.99 0.03 . 2 . . . . 50 LEU HB2 . 7002 1 616 . 1 1 50 50 LEU HB3 H 1 1.48 0.03 . 2 . . . . 50 LEU HB3 . 7002 1 617 . 1 1 50 50 LEU HG H 1 1.43 0.03 . 1 . . . . 50 LEU HG . 7002 1 618 . 1 1 50 50 LEU HD11 H 1 0.53 0.03 . 2 . . . . 50 LEU HD1 . 7002 1 619 . 1 1 50 50 LEU HD12 H 1 0.53 0.03 . 2 . . . . 50 LEU HD1 . 7002 1 620 . 1 1 50 50 LEU HD13 H 1 0.53 0.03 . 2 . . . . 50 LEU HD1 . 7002 1 621 . 1 1 50 50 LEU HD21 H 1 -0.14 0.03 . 2 . . . . 50 LEU HD2 . 7002 1 622 . 1 1 50 50 LEU HD22 H 1 -0.14 0.03 . 2 . . . . 50 LEU HD2 . 7002 1 623 . 1 1 50 50 LEU HD23 H 1 -0.14 0.03 . 2 . . . . 50 LEU HD2 . 7002 1 624 . 1 1 50 50 LEU C C 13 176.33 0.20 . 1 . . . . 50 LEU C . 7002 1 625 . 1 1 50 50 LEU CA C 13 54.09 0.20 . 1 . . . . 50 LEU CA . 7002 1 626 . 1 1 50 50 LEU CB C 13 41.40 0.20 . 1 . . . . 50 LEU CB . 7002 1 627 . 1 1 50 50 LEU CG C 13 25.96 0.20 . 1 . . . . 50 LEU CG . 7002 1 628 . 1 1 50 50 LEU CD1 C 13 26.16 0.20 . 2 . . . . 50 LEU CD1 . 7002 1 629 . 1 1 50 50 LEU CD2 C 13 19.77 0.20 . 2 . . . . 50 LEU CD2 . 7002 1 630 . 1 1 50 50 LEU N N 15 124.91 0.30 . 1 . . . . 50 LEU N . 7002 1 631 . 1 1 51 51 GLU H H 1 8.44 0.03 . 1 . . . . 51 GLU H . 7002 1 632 . 1 1 51 51 GLU HA H 1 4.43 0.03 . 1 . . . . 51 GLU HA . 7002 1 633 . 1 1 51 51 GLU HB2 H 1 1.99 0.03 . 2 . . . . 51 GLU HB2 . 7002 1 634 . 1 1 51 51 GLU HB3 H 1 2.23 0.03 . 2 . . . . 51 GLU HB3 . 7002 1 635 . 1 1 51 51 GLU HG2 H 1 2.35 0.03 . 2 . . . . 51 GLU HG2 . 7002 1 636 . 1 1 51 51 GLU HG3 H 1 2.44 0.03 . 2 . . . . 51 GLU HG3 . 7002 1 637 . 1 1 51 51 GLU C C 13 175.69 0.20 . 1 . . . . 51 GLU C . 7002 1 638 . 1 1 51 51 GLU CA C 13 56.33 0.20 . 1 . . . . 51 GLU CA . 7002 1 639 . 1 1 51 51 GLU CB C 13 31.71 0.20 . 1 . . . . 51 GLU CB . 7002 1 640 . 1 1 51 51 GLU CG C 13 36.66 0.20 . 1 . . . . 51 GLU CG . 7002 1 641 . 1 1 51 51 GLU N N 15 122.47 0.30 . 1 . . . . 51 GLU N . 7002 1 642 . 1 1 52 52 ASP H H 1 8.11 0.03 . 1 . . . . 52 ASP H . 7002 1 643 . 1 1 52 52 ASP HA H 1 4.32 0.03 . 1 . . . . 52 ASP HA . 7002 1 644 . 1 1 52 52 ASP HB2 H 1 2.49 0.03 . 2 . . . . 52 ASP HB2 . 7002 1 645 . 1 1 52 52 ASP HB3 H 1 2.79 0.03 . 2 . . . . 52 ASP HB3 . 7002 1 646 . 1 1 52 52 ASP CA C 13 56.84 0.20 . 1 . . . . 52 ASP CA . 7002 1 647 . 1 1 52 52 ASP CB C 13 40.90 0.20 . 1 . . . . 52 ASP CB . 7002 1 648 . 1 1 52 52 ASP N N 15 119.30 0.30 . 1 . . . . 52 ASP N . 7002 1 649 . 1 1 53 53 GLY HA3 H 1 4.02 0.03 . 2 . . . . 53 GLY HA3 . 7002 1 650 . 1 1 53 53 GLY C C 13 174.75 0.20 . 1 . . . . 53 GLY C . 7002 1 651 . 1 1 53 53 GLY CA C 13 45.29 0.20 . 1 . . . . 53 GLY CA . 7002 1 652 . 1 1 54 54 ARG H H 1 7.48 0.03 . 1 . . . . 54 ARG H . 7002 1 653 . 1 1 54 54 ARG HA H 1 4.70 0.03 . 1 . . . . 54 ARG HA . 7002 1 654 . 1 1 54 54 ARG HB2 H 1 2.12 0.03 . 2 . . . . 54 ARG HB2 . 7002 1 655 . 1 1 54 54 ARG HB3 H 1 2.23 0.03 . 2 . . . . 54 ARG HB3 . 7002 1 656 . 1 1 54 54 ARG HG2 H 1 1.62 0.03 . 2 . . . . 54 ARG HG2 . 7002 1 657 . 1 1 54 54 ARG HG3 H 1 1.85 0.03 . 2 . . . . 54 ARG HG3 . 7002 1 658 . 1 1 54 54 ARG HD2 H 1 3.09 0.03 . 2 . . . . 54 ARG HD2 . 7002 1 659 . 1 1 54 54 ARG HD3 H 1 3.16 0.03 . 2 . . . . 54 ARG HD3 . 7002 1 660 . 1 1 54 54 ARG C C 13 175.38 0.20 . 1 . . . . 54 ARG C . 7002 1 661 . 1 1 54 54 ARG CA C 13 54.38 0.20 . 1 . . . . 54 ARG CA . 7002 1 662 . 1 1 54 54 ARG CB C 13 32.45 0.20 . 1 . . . . 54 ARG CB . 7002 1 663 . 1 1 54 54 ARG CG C 13 27.62 0.20 . 1 . . . . 54 ARG CG . 7002 1 664 . 1 1 54 54 ARG CD C 13 42.56 0.20 . 1 . . . . 54 ARG CD . 7002 1 665 . 1 1 54 54 ARG N N 15 118.23 0.30 . 1 . . . . 54 ARG N . 7002 1 666 . 1 1 55 55 THR H H 1 8.85 0.03 . 1 . . . . 55 THR H . 7002 1 667 . 1 1 55 55 THR HA H 1 5.22 0.03 . 1 . . . . 55 THR HA . 7002 1 668 . 1 1 55 55 THR HB H 1 4.50 0.03 . 1 . . . . 55 THR HB . 7002 1 669 . 1 1 55 55 THR HG21 H 1 1.14 0.03 . 1 . . . . 55 THR HG2 . 7002 1 670 . 1 1 55 55 THR HG22 H 1 1.14 0.03 . 1 . . . . 55 THR HG2 . 7002 1 671 . 1 1 55 55 THR HG23 H 1 1.14 0.03 . 1 . . . . 55 THR HG2 . 7002 1 672 . 1 1 55 55 THR C C 13 176.42 0.20 . 1 . . . . 55 THR C . 7002 1 673 . 1 1 55 55 THR CA C 13 59.87 0.20 . 1 . . . . 55 THR CA . 7002 1 674 . 1 1 55 55 THR CB C 13 72.42 0.20 . 1 . . . . 55 THR CB . 7002 1 675 . 1 1 55 55 THR CG2 C 13 21.87 0.20 . 1 . . . . 55 THR CG2 . 7002 1 676 . 1 1 55 55 THR N N 15 107.80 0.30 . 1 . . . . 55 THR N . 7002 1 677 . 1 1 56 56 LEU H H 1 8.17 0.03 . 1 . . . . 56 LEU H . 7002 1 678 . 1 1 56 56 LEU HA H 1 4.06 0.03 . 1 . . . . 56 LEU HA . 7002 1 679 . 1 1 56 56 LEU HB2 H 1 1.24 0.03 . 2 . . . . 56 LEU HB2 . 7002 1 680 . 1 1 56 56 LEU HB3 H 1 2.08 0.03 . 2 . . . . 56 LEU HB3 . 7002 1 681 . 1 1 56 56 LEU HG H 1 1.70 0.03 . 1 . . . . 56 LEU HG . 7002 1 682 . 1 1 56 56 LEU HD11 H 1 0.75 0.03 . 2 . . . . 56 LEU HD1 . 7002 1 683 . 1 1 56 56 LEU HD12 H 1 0.75 0.03 . 2 . . . . 56 LEU HD1 . 7002 1 684 . 1 1 56 56 LEU HD13 H 1 0.75 0.03 . 2 . . . . 56 LEU HD1 . 7002 1 685 . 1 1 56 56 LEU HD21 H 1 0.62 0.03 . 2 . . . . 56 LEU HD2 . 7002 1 686 . 1 1 56 56 LEU HD22 H 1 0.62 0.03 . 2 . . . . 56 LEU HD2 . 7002 1 687 . 1 1 56 56 LEU HD23 H 1 0.62 0.03 . 2 . . . . 56 LEU HD2 . 7002 1 688 . 1 1 56 56 LEU C C 13 180.67 0.20 . 1 . . . . 56 LEU C . 7002 1 689 . 1 1 56 56 LEU CA C 13 58.88 0.20 . 1 . . . . 56 LEU CA . 7002 1 690 . 1 1 56 56 LEU CB C 13 40.29 0.20 . 1 . . . . 56 LEU CB . 7002 1 691 . 1 1 56 56 LEU CG C 13 27.00 0.20 . 1 . . . . 56 LEU CG . 7002 1 692 . 1 1 56 56 LEU CD1 C 13 26.64 0.20 . 2 . . . . 56 LEU CD1 . 7002 1 693 . 1 1 56 56 LEU CD2 C 13 23.30 0.20 . 2 . . . . 56 LEU CD2 . 7002 1 694 . 1 1 56 56 LEU N N 15 117.11 0.30 . 1 . . . . 56 LEU N . 7002 1 695 . 1 1 57 57 SER H H 1 8.30 0.03 . 1 . . . . 57 SER H . 7002 1 696 . 1 1 57 57 SER HA H 1 4.26 0.03 . 1 . . . . 57 SER HA . 7002 1 697 . 1 1 57 57 SER HB2 H 1 3.77 0.03 . 2 . . . . 57 SER HB2 . 7002 1 698 . 1 1 57 57 SER HB3 H 1 3.87 0.03 . 2 . . . . 57 SER HB3 . 7002 1 699 . 1 1 57 57 SER C C 13 178.26 0.20 . 1 . . . . 57 SER C . 7002 1 700 . 1 1 57 57 SER CA C 13 61.05 0.20 . 1 . . . . 57 SER CA . 7002 1 701 . 1 1 57 57 SER CB C 13 62.66 0.20 . 1 . . . . 57 SER CB . 7002 1 702 . 1 1 57 57 SER N N 15 112.04 0.30 . 1 . . . . 57 SER N . 7002 1 703 . 1 1 58 58 ASP H H 1 7.94 0.03 . 1 . . . . 58 ASP H . 7002 1 704 . 1 1 58 58 ASP HA H 1 4.29 0.03 . 1 . . . . 58 ASP HA . 7002 1 705 . 1 1 58 58 ASP HB2 H 1 2.26 0.03 . 2 . . . . 58 ASP HB2 . 7002 1 706 . 1 1 58 58 ASP HB3 H 1 3.00 0.03 . 2 . . . . 58 ASP HB3 . 7002 1 707 . 1 1 58 58 ASP C C 13 177.28 0.20 . 1 . . . . 58 ASP C . 7002 1 708 . 1 1 58 58 ASP CA C 13 57.47 0.20 . 1 . . . . 58 ASP CA . 7002 1 709 . 1 1 58 58 ASP CB C 13 40.35 0.20 . 1 . . . . 58 ASP CB . 7002 1 710 . 1 1 58 58 ASP N N 15 123.14 0.30 . 1 . . . . 58 ASP N . 7002 1 711 . 1 1 59 59 TYR H H 1 7.25 0.03 . 1 . . . . 59 TYR H . 7002 1 712 . 1 1 59 59 TYR HA H 1 4.67 0.03 . 1 . . . . 59 TYR HA . 7002 1 713 . 1 1 59 59 TYR HB2 H 1 2.51 0.03 . 2 . . . . 59 TYR HB2 . 7002 1 714 . 1 1 59 59 TYR HB3 H 1 3.46 0.03 . 2 . . . . 59 TYR HB3 . 7002 1 715 . 1 1 59 59 TYR HD1 H 1 7.24 0.03 . 3 . . . . 59 TYR HD1 . 7002 1 716 . 1 1 59 59 TYR HE1 H 1 6.87 0.03 . 3 . . . . 59 TYR HE1 . 7002 1 717 . 1 1 59 59 TYR C C 13 174.53 0.20 . 1 . . . . 59 TYR C . 7002 1 718 . 1 1 59 59 TYR CA C 13 58.31 0.20 . 1 . . . . 59 TYR CA . 7002 1 719 . 1 1 59 59 TYR CB C 13 40.12 0.20 . 1 . . . . 59 TYR CB . 7002 1 720 . 1 1 59 59 TYR N N 15 114.47 0.30 . 1 . . . . 59 TYR N . 7002 1 721 . 1 1 60 60 ASN H H 1 8.16 0.03 . 1 . . . . 60 ASN H . 7002 1 722 . 1 1 60 60 ASN HA H 1 4.34 0.03 . 1 . . . . 60 ASN HA . 7002 1 723 . 1 1 60 60 ASN HB2 H 1 2.79 0.03 . 2 . . . . 60 ASN HB2 . 7002 1 724 . 1 1 60 60 ASN HB3 H 1 3.30 0.03 . 2 . . . . 60 ASN HB3 . 7002 1 725 . 1 1 60 60 ASN HD21 H 1 7.59 0.03 . 2 . . . . 60 ASN HD21 . 7002 1 726 . 1 1 60 60 ASN HD22 H 1 6.83 0.03 . 2 . . . . 60 ASN HD22 . 7002 1 727 . 1 1 60 60 ASN C C 13 174.28 0.20 . 1 . . . . 60 ASN C . 7002 1 728 . 1 1 60 60 ASN CA C 13 54.19 0.20 . 1 . . . . 60 ASN CA . 7002 1 729 . 1 1 60 60 ASN CB C 13 37.41 0.20 . 1 . . . . 60 ASN CB . 7002 1 730 . 1 1 60 60 ASN N N 15 115.00 0.30 . 1 . . . . 60 ASN N . 7002 1 731 . 1 1 60 60 ASN ND2 N 15 110.51 0.30 . 1 . . . . 60 ASN ND2 . 7002 1 732 . 1 1 61 61 ILE H H 1 7.28 0.03 . 1 . . . . 61 ILE H . 7002 1 733 . 1 1 61 61 ILE HA H 1 3.43 0.03 . 1 . . . . 61 ILE HA . 7002 1 734 . 1 1 61 61 ILE HB H 1 1.42 0.03 . 1 . . . . 61 ILE HB . 7002 1 735 . 1 1 61 61 ILE HG12 H 1 -0.16 0.03 . 2 . . . . 61 ILE HG12 . 7002 1 736 . 1 1 61 61 ILE HG13 H 1 1.12 0.03 . 2 . . . . 61 ILE HG13 . 7002 1 737 . 1 1 61 61 ILE HG21 H 1 0.49 0.03 . 1 . . . . 61 ILE HG2 . 7002 1 738 . 1 1 61 61 ILE HG22 H 1 0.49 0.03 . 1 . . . . 61 ILE HG2 . 7002 1 739 . 1 1 61 61 ILE HG23 H 1 0.49 0.03 . 1 . . . . 61 ILE HG2 . 7002 1 740 . 1 1 61 61 ILE HD11 H 1 0.38 0.03 . 1 . . . . 61 ILE HD1 . 7002 1 741 . 1 1 61 61 ILE HD12 H 1 0.38 0.03 . 1 . . . . 61 ILE HD1 . 7002 1 742 . 1 1 61 61 ILE HD13 H 1 0.38 0.03 . 1 . . . . 61 ILE HD1 . 7002 1 743 . 1 1 61 61 ILE C C 13 174.67 0.20 . 1 . . . . 61 ILE C . 7002 1 744 . 1 1 61 61 ILE CA C 13 62.31 0.20 . 1 . . . . 61 ILE CA . 7002 1 745 . 1 1 61 61 ILE CB C 13 36.74 0.20 . 1 . . . . 61 ILE CB . 7002 1 746 . 1 1 61 61 ILE CG1 C 13 28.25 0.20 . 1 . . . . 61 ILE CG1 . 7002 1 747 . 1 1 61 61 ILE CG2 C 13 17.41 0.20 . 1 . . . . 61 ILE CG2 . 7002 1 748 . 1 1 61 61 ILE CD1 C 13 14.04 0.20 . 1 . . . . 61 ILE CD1 . 7002 1 749 . 1 1 61 61 ILE N N 15 117.53 0.30 . 1 . . . . 61 ILE N . 7002 1 750 . 1 1 62 62 GLN H H 1 7.73 0.03 . 1 . . . . 62 GLN H . 7002 1 751 . 1 1 62 62 GLN HA H 1 4.48 0.03 . 1 . . . . 62 GLN HA . 7002 1 752 . 1 1 62 62 GLN HB2 H 1 1.89 0.03 . 2 . . . . 62 GLN HB2 . 7002 1 753 . 1 1 62 62 GLN HB3 H 1 2.25 0.03 . 2 . . . . 62 GLN HB3 . 7002 1 754 . 1 1 62 62 GLN HG2 H 1 2.31 0.03 . 2 . . . . 62 GLN HG2 . 7002 1 755 . 1 1 62 62 GLN HG3 H 1 2.36 0.03 . 2 . . . . 62 GLN HG3 . 7002 1 756 . 1 1 62 62 GLN HE21 H 1 7.30 0.03 . 2 . . . . 62 GLN HE21 . 7002 1 757 . 1 1 62 62 GLN HE22 H 1 6.84 0.03 . 2 . . . . 62 GLN HE22 . 7002 1 758 . 1 1 62 62 GLN C C 13 175.66 0.20 . 1 . . . . 62 GLN C . 7002 1 759 . 1 1 62 62 GLN CA C 13 53.72 0.20 . 1 . . . . 62 GLN CA . 7002 1 760 . 1 1 62 62 GLN CB C 13 31.75 0.20 . 1 . . . . 62 GLN CB . 7002 1 761 . 1 1 62 62 GLN CG C 13 33.46 0.20 . 1 . . . . 62 GLN CG . 7002 1 762 . 1 1 62 62 GLN N N 15 124.01 0.30 . 1 . . . . 62 GLN N . 7002 1 763 . 1 1 62 62 GLN NE2 N 15 111.30 0.30 . 1 . . . . 62 GLN NE2 . 7002 1 764 . 1 1 63 63 LYS H H 1 8.48 0.03 . 1 . . . . 63 LYS H . 7002 1 765 . 1 1 63 63 LYS HA H 1 3.98 0.03 . 1 . . . . 63 LYS HA . 7002 1 766 . 1 1 63 63 LYS HB2 H 1 1.89 0.03 . 2 . . . . 63 LYS HB2 . 7002 1 767 . 1 1 63 63 LYS HB3 H 1 2.05 0.03 . 2 . . . . 63 LYS HB3 . 7002 1 768 . 1 1 63 63 LYS HG3 H 1 1.50 0.03 . 2 . . . . 63 LYS HG3 . 7002 1 769 . 1 1 63 63 LYS HD3 H 1 1.75 0.03 . 2 . . . . 63 LYS HD3 . 7002 1 770 . 1 1 63 63 LYS HE3 H 1 3.03 0.03 . 2 . . . . 63 LYS HE3 . 7002 1 771 . 1 1 63 63 LYS C C 13 175.64 0.20 . 1 . . . . 63 LYS C . 7002 1 772 . 1 1 63 63 LYS CA C 13 57.95 0.20 . 1 . . . . 63 LYS CA . 7002 1 773 . 1 1 63 63 LYS CB C 13 32.63 0.20 . 1 . . . . 63 LYS CB . 7002 1 774 . 1 1 63 63 LYS CG C 13 24.07 0.20 . 1 . . . . 63 LYS CG . 7002 1 775 . 1 1 63 63 LYS CD C 13 29.68 0.20 . 1 . . . . 63 LYS CD . 7002 1 776 . 1 1 63 63 LYS CE C 13 41.98 0.20 . 1 . . . . 63 LYS CE . 7002 1 777 . 1 1 63 63 LYS N N 15 119.39 0.30 . 1 . . . . 63 LYS N . 7002 1 778 . 1 1 64 64 GLU H H 1 9.31 0.03 . 1 . . . . 64 GLU H . 7002 1 779 . 1 1 64 64 GLU HA H 1 3.37 0.03 . 1 . . . . 64 GLU HA . 7002 1 780 . 1 1 64 64 GLU HB2 H 1 2.40 0.03 . 2 . . . . 64 GLU HB2 . 7002 1 781 . 1 1 64 64 GLU HB3 H 1 2.54 0.03 . 2 . . . . 64 GLU HB3 . 7002 1 782 . 1 1 64 64 GLU HG3 H 1 2.25 0.03 . 2 . . . . 64 GLU HG3 . 7002 1 783 . 1 1 64 64 GLU C C 13 175.14 0.20 . 1 . . . . 64 GLU C . 7002 1 784 . 1 1 64 64 GLU CA C 13 58.24 0.20 . 1 . . . . 64 GLU CA . 7002 1 785 . 1 1 64 64 GLU CB C 13 26.12 0.20 . 1 . . . . 64 GLU CB . 7002 1 786 . 1 1 64 64 GLU CG C 13 37.38 0.20 . 1 . . . . 64 GLU CG . 7002 1 787 . 1 1 64 64 GLU N N 15 113.69 0.30 . 1 . . . . 64 GLU N . 7002 1 788 . 1 1 65 65 SER H H 1 7.69 0.03 . 1 . . . . 65 SER H . 7002 1 789 . 1 1 65 65 SER HA H 1 4.63 0.03 . 1 . . . . 65 SER HA . 7002 1 790 . 1 1 65 65 SER HB2 H 1 3.63 0.03 . 2 . . . . 65 SER HB2 . 7002 1 791 . 1 1 65 65 SER HB3 H 1 3.86 0.03 . 2 . . . . 65 SER HB3 . 7002 1 792 . 1 1 65 65 SER HG H 1 5.95 0.03 . 1 . . . . 65 SER HG . 7002 1 793 . 1 1 65 65 SER C C 13 171.95 0.20 . 1 . . . . 65 SER C . 7002 1 794 . 1 1 65 65 SER CA C 13 60.95 0.20 . 1 . . . . 65 SER CA . 7002 1 795 . 1 1 65 65 SER CB C 13 64.99 0.20 . 1 . . . . 65 SER CB . 7002 1 796 . 1 1 65 65 SER N N 15 113.77 0.30 . 1 . . . . 65 SER N . 7002 1 797 . 1 1 66 66 THR H H 1 8.74 0.03 . 1 . . . . 66 THR H . 7002 1 798 . 1 1 66 66 THR HA H 1 5.25 0.03 . 1 . . . . 66 THR HA . 7002 1 799 . 1 1 66 66 THR HB H 1 4.06 0.03 . 1 . . . . 66 THR HB . 7002 1 800 . 1 1 66 66 THR HG21 H 1 0.87 0.03 . 1 . . . . 66 THR HG2 . 7002 1 801 . 1 1 66 66 THR HG22 H 1 0.87 0.03 . 1 . . . . 66 THR HG2 . 7002 1 802 . 1 1 66 66 THR HG23 H 1 0.87 0.03 . 1 . . . . 66 THR HG2 . 7002 1 803 . 1 1 66 66 THR C C 13 173.72 0.20 . 1 . . . . 66 THR C . 7002 1 804 . 1 1 66 66 THR CA C 13 62.44 0.20 . 1 . . . . 66 THR CA . 7002 1 805 . 1 1 66 66 THR CB C 13 70.13 0.20 . 1 . . . . 66 THR CB . 7002 1 806 . 1 1 66 66 THR CG2 C 13 21.41 0.20 . 1 . . . . 66 THR CG2 . 7002 1 807 . 1 1 66 66 THR N N 15 116.54 0.30 . 1 . . . . 66 THR N . 7002 1 808 . 1 1 67 67 LEU H H 1 9.40 0.03 . 1 . . . . 67 LEU H . 7002 1 809 . 1 1 67 67 LEU HA H 1 5.09 0.03 . 1 . . . . 67 LEU HA . 7002 1 810 . 1 1 67 67 LEU HB3 H 1 1.64 0.03 . 2 . . . . 67 LEU HB3 . 7002 1 811 . 1 1 67 67 LEU HG H 1 1.76 0.03 . 1 . . . . 67 LEU HG . 7002 1 812 . 1 1 67 67 LEU HD11 H 1 0.69 0.03 . 2 . . . . 67 LEU HD1 . 7002 1 813 . 1 1 67 67 LEU HD12 H 1 0.69 0.03 . 2 . . . . 67 LEU HD1 . 7002 1 814 . 1 1 67 67 LEU HD13 H 1 0.69 0.03 . 2 . . . . 67 LEU HD1 . 7002 1 815 . 1 1 67 67 LEU HD21 H 1 0.64 0.03 . 2 . . . . 67 LEU HD2 . 7002 1 816 . 1 1 67 67 LEU HD22 H 1 0.64 0.03 . 2 . . . . 67 LEU HD2 . 7002 1 817 . 1 1 67 67 LEU HD23 H 1 0.64 0.03 . 2 . . . . 67 LEU HD2 . 7002 1 818 . 1 1 67 67 LEU C C 13 175.44 0.20 . 1 . . . . 67 LEU C . 7002 1 819 . 1 1 67 67 LEU CA C 13 53.65 0.20 . 1 . . . . 67 LEU CA . 7002 1 820 . 1 1 67 67 LEU CB C 13 44.37 0.20 . 1 . . . . 67 LEU CB . 7002 1 821 . 1 1 67 67 LEU CG C 13 29.41 0.20 . 1 . . . . 67 LEU CG . 7002 1 822 . 1 1 67 67 LEU CD1 C 13 24.91 0.20 . 2 . . . . 67 LEU CD1 . 7002 1 823 . 1 1 67 67 LEU CD2 C 13 25.11 0.20 . 2 . . . . 67 LEU CD2 . 7002 1 824 . 1 1 67 67 LEU N N 15 126.16 0.30 . 1 . . . . 67 LEU N . 7002 1 825 . 1 1 68 68 HIS H H 1 9.09 0.03 . 1 . . . . 68 HIS H . 7002 1 826 . 1 1 68 68 HIS HA H 1 5.35 0.03 . 1 . . . . 68 HIS HA . 7002 1 827 . 1 1 68 68 HIS HB2 H 1 2.98 0.03 . 2 . . . . 68 HIS HB2 . 7002 1 828 . 1 1 68 68 HIS HB3 H 1 3.16 0.03 . 2 . . . . 68 HIS HB3 . 7002 1 829 . 1 1 68 68 HIS HD2 H 1 7.17 0.03 . 1 . . . . 68 HIS HD2 . 7002 1 830 . 1 1 68 68 HIS HE1 H 1 8.26 0.03 . 1 . . . . 68 HIS HE1 . 7002 1 831 . 1 1 68 68 HIS C C 13 173.47 0.20 . 1 . . . . 68 HIS C . 7002 1 832 . 1 1 68 68 HIS CA C 13 55.55 0.20 . 1 . . . . 68 HIS CA . 7002 1 833 . 1 1 68 68 HIS CB C 13 31.91 0.20 . 1 . . . . 68 HIS CB . 7002 1 834 . 1 1 68 68 HIS N N 15 117.44 0.30 . 1 . . . . 68 HIS N . 7002 1 835 . 1 1 69 69 LEU H H 1 8.40 0.03 . 1 . . . . 69 LEU H . 7002 1 836 . 1 1 69 69 LEU HA H 1 5.22 0.03 . 1 . . . . 69 LEU HA . 7002 1 837 . 1 1 69 69 LEU HB2 H 1 1.08 0.03 . 2 . . . . 69 LEU HB2 . 7002 1 838 . 1 1 69 69 LEU HB3 H 1 1.51 0.03 . 2 . . . . 69 LEU HB3 . 7002 1 839 . 1 1 69 69 LEU HG H 1 1.31 0.03 . 1 . . . . 69 LEU HG . 7002 1 840 . 1 1 69 69 LEU HD11 H 1 0.85 0.03 . 2 . . . . 69 LEU HD1 . 7002 1 841 . 1 1 69 69 LEU HD12 H 1 0.85 0.03 . 2 . . . . 69 LEU HD1 . 7002 1 842 . 1 1 69 69 LEU HD13 H 1 0.85 0.03 . 2 . . . . 69 LEU HD1 . 7002 1 843 . 1 1 69 69 LEU HD21 H 1 0.71 0.03 . 2 . . . . 69 LEU HD2 . 7002 1 844 . 1 1 69 69 LEU HD22 H 1 0.71 0.03 . 2 . . . . 69 LEU HD2 . 7002 1 845 . 1 1 69 69 LEU HD23 H 1 0.71 0.03 . 2 . . . . 69 LEU HD2 . 7002 1 846 . 1 1 69 69 LEU C C 13 174.72 0.20 . 1 . . . . 69 LEU C . 7002 1 847 . 1 1 69 69 LEU CA C 13 53.80 0.20 . 1 . . . . 69 LEU CA . 7002 1 848 . 1 1 69 69 LEU CB C 13 44.92 0.20 . 1 . . . . 69 LEU CB . 7002 1 849 . 1 1 69 69 LEU CG C 13 27.61 0.20 . 1 . . . . 69 LEU CG . 7002 1 850 . 1 1 69 69 LEU CD1 C 13 23.89 0.20 . 2 . . . . 69 LEU CD1 . 7002 1 851 . 1 1 69 69 LEU CD2 C 13 26.21 0.20 . 2 . . . . 69 LEU CD2 . 7002 1 852 . 1 1 69 69 LEU N N 15 123.17 0.30 . 1 . . . . 69 LEU N . 7002 1 853 . 1 1 70 70 VAL H H 1 9.17 0.03 . 1 . . . . 70 VAL H . 7002 1 854 . 1 1 70 70 VAL HA H 1 4.41 0.03 . 1 . . . . 70 VAL HA . 7002 1 855 . 1 1 70 70 VAL HB H 1 2.01 0.03 . 1 . . . . 70 VAL HB . 7002 1 856 . 1 1 70 70 VAL HG11 H 1 0.94 0.03 . 2 . . . . 70 VAL HG1 . 7002 1 857 . 1 1 70 70 VAL HG12 H 1 0.94 0.03 . 2 . . . . 70 VAL HG1 . 7002 1 858 . 1 1 70 70 VAL HG13 H 1 0.94 0.03 . 2 . . . . 70 VAL HG1 . 7002 1 859 . 1 1 70 70 VAL HG21 H 1 0.94 0.03 . 2 . . . . 70 VAL HG2 . 7002 1 860 . 1 1 70 70 VAL HG22 H 1 0.94 0.03 . 2 . . . . 70 VAL HG2 . 7002 1 861 . 1 1 70 70 VAL HG23 H 1 0.94 0.03 . 2 . . . . 70 VAL HG2 . 7002 1 862 . 1 1 70 70 VAL C C 13 175.72 0.20 . 1 . . . . 70 VAL C . 7002 1 863 . 1 1 70 70 VAL CA C 13 60.47 0.20 . 1 . . . . 70 VAL CA . 7002 1 864 . 1 1 70 70 VAL CB C 13 35.19 0.20 . 1 . . . . 70 VAL CB . 7002 1 865 . 1 1 70 70 VAL CG1 C 13 21.30 0.20 . 1 . . . . 70 VAL CG1 . 7002 1 866 . 1 1 70 70 VAL CG2 C 13 21.30 0.20 . 1 . . . . 70 VAL CG2 . 7002 1 867 . 1 1 70 70 VAL N N 15 125.68 0.30 . 1 . . . . 70 VAL N . 7002 1 868 . 1 1 71 71 LEU H H 1 8.27 0.03 . 1 . . . . 71 LEU H . 7002 1 869 . 1 1 71 71 LEU HA H 1 5.14 0.03 . 1 . . . . 71 LEU HA . 7002 1 870 . 1 1 71 71 LEU HB2 H 1 1.51 0.03 . 2 . . . . 71 LEU HB2 . 7002 1 871 . 1 1 71 71 LEU HB3 H 1 1.77 0.03 . 2 . . . . 71 LEU HB3 . 7002 1 872 . 1 1 71 71 LEU HG H 1 1.72 0.03 . 1 . . . . 71 LEU HG . 7002 1 873 . 1 1 71 71 LEU HD11 H 1 0.97 0.03 . 2 . . . . 71 LEU HD1 . 7002 1 874 . 1 1 71 71 LEU HD12 H 1 0.97 0.03 . 2 . . . . 71 LEU HD1 . 7002 1 875 . 1 1 71 71 LEU HD13 H 1 0.97 0.03 . 2 . . . . 71 LEU HD1 . 7002 1 876 . 1 1 71 71 LEU HD21 H 1 0.84 0.03 . 2 . . . . 71 LEU HD2 . 7002 1 877 . 1 1 71 71 LEU HD22 H 1 0.84 0.03 . 2 . . . . 71 LEU HD2 . 7002 1 878 . 1 1 71 71 LEU HD23 H 1 0.84 0.03 . 2 . . . . 71 LEU HD2 . 7002 1 879 . 1 1 71 71 LEU C C 13 177.91 0.20 . 1 . . . . 71 LEU C . 7002 1 880 . 1 1 71 71 LEU CA C 13 53.59 0.20 . 1 . . . . 71 LEU CA . 7002 1 881 . 1 1 71 71 LEU CB C 13 42.34 0.20 . 1 . . . . 71 LEU CB . 7002 1 882 . 1 1 71 71 LEU CG C 13 27.93 0.20 . 1 . . . . 71 LEU CG . 7002 1 883 . 1 1 71 71 LEU CD1 C 13 25.11 0.20 . 2 . . . . 71 LEU CD1 . 7002 1 884 . 1 1 71 71 LEU CD2 C 13 23.95 0.20 . 2 . . . . 71 LEU CD2 . 7002 1 885 . 1 1 71 71 LEU N N 15 122.64 0.30 . 1 . . . . 71 LEU N . 7002 1 886 . 1 1 72 72 ARG H H 1 8.55 0.03 . 1 . . . . 72 ARG H . 7002 1 887 . 1 1 72 72 ARG HA H 1 4.30 0.03 . 1 . . . . 72 ARG HA . 7002 1 888 . 1 1 72 72 ARG HB2 H 1 1.59 0.03 . 2 . . . . 72 ARG HB2 . 7002 1 889 . 1 1 72 72 ARG HB3 H 1 1.78 0.03 . 2 . . . . 72 ARG HB3 . 7002 1 890 . 1 1 72 72 ARG HG3 H 1 1.56 0.03 . 2 . . . . 72 ARG HG3 . 7002 1 891 . 1 1 72 72 ARG HD3 H 1 3.18 0.03 . 2 . . . . 72 ARG HD3 . 7002 1 892 . 1 1 72 72 ARG C C 13 173.64 0.20 . 1 . . . . 72 ARG C . 7002 1 893 . 1 1 72 72 ARG CA C 13 56.02 0.20 . 1 . . . . 72 ARG CA . 7002 1 894 . 1 1 72 72 ARG CB C 13 31.37 0.20 . 1 . . . . 72 ARG CB . 7002 1 895 . 1 1 72 72 ARG CG C 13 27.75 0.20 . 1 . . . . 72 ARG CG . 7002 1 896 . 1 1 72 72 ARG CD C 13 43.42 0.20 . 1 . . . . 72 ARG CD . 7002 1 897 . 1 1 72 72 ARG N N 15 121.09 0.30 . 1 . . . . 72 ARG N . 7002 1 898 . 1 1 73 73 LEU H H 1 8.68 0.03 . 1 . . . . 73 LEU H . 7002 1 899 . 1 1 73 73 LEU HA H 1 4.36 0.03 . 1 . . . . 73 LEU HA . 7002 1 900 . 1 1 73 73 LEU HB2 H 1 1.55 0.03 . 2 . . . . 73 LEU HB2 . 7002 1 901 . 1 1 73 73 LEU HB3 H 1 1.61 0.03 . 2 . . . . 73 LEU HB3 . 7002 1 902 . 1 1 73 73 LEU HG H 1 1.62 0.03 . 1 . . . . 73 LEU HG . 7002 1 903 . 1 1 73 73 LEU HD11 H 1 0.93 0.03 . 2 . . . . 73 LEU HD1 . 7002 1 904 . 1 1 73 73 LEU HD12 H 1 0.93 0.03 . 2 . . . . 73 LEU HD1 . 7002 1 905 . 1 1 73 73 LEU HD13 H 1 0.93 0.03 . 2 . . . . 73 LEU HD1 . 7002 1 906 . 1 1 73 73 LEU HD21 H 1 0.86 0.03 . 2 . . . . 73 LEU HD2 . 7002 1 907 . 1 1 73 73 LEU HD22 H 1 0.86 0.03 . 2 . . . . 73 LEU HD2 . 7002 1 908 . 1 1 73 73 LEU HD23 H 1 0.86 0.03 . 2 . . . . 73 LEU HD2 . 7002 1 909 . 1 1 73 73 LEU C C 13 177.41 0.20 . 1 . . . . 73 LEU C . 7002 1 910 . 1 1 73 73 LEU CA C 13 55.05 0.20 . 1 . . . . 73 LEU CA . 7002 1 911 . 1 1 73 73 LEU CB C 13 42.42 0.20 . 1 . . . . 73 LEU CB . 7002 1 912 . 1 1 73 73 LEU CG C 13 27.16 0.20 . 1 . . . . 73 LEU CG . 7002 1 913 . 1 1 73 73 LEU CD1 C 13 25.05 0.20 . 2 . . . . 73 LEU CD1 . 7002 1 914 . 1 1 73 73 LEU CD2 C 13 23.09 0.20 . 2 . . . . 73 LEU CD2 . 7002 1 915 . 1 1 73 73 LEU N N 15 124.08 0.30 . 1 . . . . 73 LEU N . 7002 1 916 . 1 1 74 74 ARG H H 1 8.47 0.03 . 1 . . . . 74 ARG H . 7002 1 917 . 1 1 74 74 ARG HA H 1 4.35 0.03 . 1 . . . . 74 ARG HA . 7002 1 918 . 1 1 74 74 ARG HB2 H 1 1.88 0.03 . 2 . . . . 74 ARG HB2 . 7002 1 919 . 1 1 74 74 ARG HB3 H 1 1.80 0.03 . 2 . . . . 74 ARG HB3 . 7002 1 920 . 1 1 74 74 ARG HG3 H 1 1.64 0.03 . 2 . . . . 74 ARG HG3 . 7002 1 921 . 1 1 74 74 ARG HD3 H 1 3.21 0.03 . 2 . . . . 74 ARG HD3 . 7002 1 922 . 1 1 74 74 ARG C C 13 176.69 0.20 . 1 . . . . 74 ARG C . 7002 1 923 . 1 1 74 74 ARG CA C 13 55.65 0.20 . 1 . . . . 74 ARG CA . 7002 1 924 . 1 1 74 74 ARG CB C 13 30.96 0.20 . 1 . . . . 74 ARG CB . 7002 1 925 . 1 1 74 74 ARG CG C 13 27.11 0.20 . 1 . . . . 74 ARG CG . 7002 1 926 . 1 1 74 74 ARG CD C 13 43.35 0.20 . 1 . . . . 74 ARG CD . 7002 1 927 . 1 1 74 74 ARG N N 15 121.09 0.30 . 1 . . . . 74 ARG N . 7002 1 928 . 1 1 75 75 GLY H H 1 8.47 0.03 . 1 . . . . 75 GLY H . 7002 1 929 . 1 1 75 75 GLY HA2 H 1 3.78 0.03 . 2 . . . . 75 GLY HA2 . 7002 1 930 . 1 1 75 75 GLY HA3 H 1 3.76 0.03 . 2 . . . . 75 GLY HA3 . 7002 1 931 . 1 1 75 75 GLY C C 13 173.60 0.20 . 1 . . . . 75 GLY C . 7002 1 932 . 1 1 75 75 GLY CA C 13 45.51 0.20 . 1 . . . . 75 GLY CA . 7002 1 933 . 1 1 75 75 GLY N N 15 109.66 0.30 . 1 . . . . 75 GLY N . 7002 1 934 . 1 1 76 76 GLY H H 1 7.97 0.03 . 1 . . . . 76 GLY H . 7002 1 935 . 1 1 76 76 GLY HA3 H 1 3.94 0.03 . 2 . . . . 76 GLY HA3 . 7002 1 936 . 1 1 76 76 GLY CA C 13 45.26 0.20 . 1 . . . . 76 GLY CA . 7002 1 937 . 1 1 76 76 GLY N N 15 114.01 0.30 . 1 . . . . 76 GLY N . 7002 1 938 . 2 2 1 1 THR HA H 1 3.94 0.03 . 1 . . . . 1339 THR HA . 7002 1 939 . 2 2 1 1 THR HB H 1 4.09 0.03 . 1 . . . . 1339 THR HB . 7002 1 940 . 2 2 1 1 THR HG21 H 1 1.30 0.03 . 1 . . . . 1339 THR HG2 . 7002 1 941 . 2 2 1 1 THR HG22 H 1 1.30 0.03 . 1 . . . . 1339 THR HG2 . 7002 1 942 . 2 2 1 1 THR HG23 H 1 1.30 0.03 . 1 . . . . 1339 THR HG2 . 7002 1 943 . 2 2 1 1 THR CA C 13 61.29 0.20 . 1 . . . . 1339 THR CA . 7002 1 944 . 2 2 1 1 THR CB C 13 68.99 0.20 . 1 . . . . 1339 THR CB . 7002 1 945 . 2 2 2 2 THR HA H 1 4.72 0.03 . 1 . . . . 1340 THR HA . 7002 1 946 . 2 2 2 2 THR HB H 1 4.33 0.03 . 1 . . . . 1340 THR HB . 7002 1 947 . 2 2 2 2 THR HG21 H 1 1.29 0.03 . 1 . . . . 1340 THR HG2 . 7002 1 948 . 2 2 2 2 THR HG22 H 1 1.29 0.03 . 1 . . . . 1340 THR HG2 . 7002 1 949 . 2 2 2 2 THR HG23 H 1 1.29 0.03 . 1 . . . . 1340 THR HG2 . 7002 1 950 . 2 2 2 2 THR CA C 13 60.05 0.20 . 1 . . . . 1340 THR CA . 7002 1 951 . 2 2 2 2 THR CB C 13 69.89 0.20 . 1 . . . . 1340 THR CB . 7002 1 952 . 2 2 2 2 THR CG2 C 13 21.55 0.20 . 1 . . . . 1340 THR CG2 . 7002 1 953 . 2 2 3 3 PRO HA H 1 4.33 0.03 . 1 . . . . 1341 PRO HA . 7002 1 954 . 2 2 3 3 PRO HB2 H 1 1.90 0.03 . 2 . . . . 1341 PRO HB2 . 7002 1 955 . 2 2 3 3 PRO HB3 H 1 2.40 0.03 . 2 . . . . 1341 PRO HB3 . 7002 1 956 . 2 2 3 3 PRO HG2 H 1 2.02 0.03 . 2 . . . . 1341 PRO HG2 . 7002 1 957 . 2 2 3 3 PRO HG3 H 1 2.13 0.03 . 2 . . . . 1341 PRO HG3 . 7002 1 958 . 2 2 3 3 PRO HD2 H 1 3.80 0.03 . 2 . . . . 1341 PRO HD2 . 7002 1 959 . 2 2 3 3 PRO HD3 H 1 3.95 0.03 . 2 . . . . 1341 PRO HD3 . 7002 1 960 . 2 2 3 3 PRO C C 13 178.44 0.20 . 1 . . . . 1341 PRO C . 7002 1 961 . 2 2 3 3 PRO CA C 13 64.27 0.20 . 1 . . . . 1341 PRO CA . 7002 1 962 . 2 2 3 3 PRO CB C 13 32.16 0.20 . 1 . . . . 1341 PRO CB . 7002 1 963 . 2 2 3 3 PRO CG C 13 27.80 0.20 . 1 . . . . 1341 PRO CG . 7002 1 964 . 2 2 3 3 PRO CD C 13 50.95 0.20 . 1 . . . . 1341 PRO CD . 7002 1 965 . 2 2 4 4 LYS H H 1 8.07 0.03 . 1 . . . . 1342 LYS H . 7002 1 966 . 2 2 4 4 LYS HA H 1 4.05 0.03 . 1 . . . . 1342 LYS HA . 7002 1 967 . 2 2 4 4 LYS HB2 H 1 1.42 0.03 . 2 . . . . 1342 LYS HB2 . 7002 1 968 . 2 2 4 4 LYS HB3 H 1 1.47 0.03 . 2 . . . . 1342 LYS HB3 . 7002 1 969 . 2 2 4 4 LYS HG2 H 1 0.34 0.03 . 2 . . . . 1342 LYS HG2 . 7002 1 970 . 2 2 4 4 LYS HG3 H 1 1.16 0.03 . 2 . . . . 1342 LYS HG3 . 7002 1 971 . 2 2 4 4 LYS HD2 H 1 0.68 0.03 . 2 . . . . 1342 LYS HD2 . 7002 1 972 . 2 2 4 4 LYS HD3 H 1 1.12 0.03 . 2 . . . . 1342 LYS HD3 . 7002 1 973 . 2 2 4 4 LYS HE2 H 1 2.01 0.03 . 2 . . . . 1342 LYS HE2 . 7002 1 974 . 2 2 4 4 LYS HE3 H 1 2.16 0.03 . 2 . . . . 1342 LYS HE3 . 7002 1 975 . 2 2 4 4 LYS C C 13 178.16 0.20 . 1 . . . . 1342 LYS C . 7002 1 976 . 2 2 4 4 LYS CA C 13 59.48 0.20 . 1 . . . . 1342 LYS CA . 7002 1 977 . 2 2 4 4 LYS CB C 13 32.66 0.20 . 1 . . . . 1342 LYS CB . 7002 1 978 . 2 2 4 4 LYS CG C 13 25.68 0.20 . 1 . . . . 1342 LYS CG . 7002 1 979 . 2 2 4 4 LYS CD C 13 29.05 0.20 . 1 . . . . 1342 LYS CD . 7002 1 980 . 2 2 4 4 LYS CE C 13 41.35 0.20 . 1 . . . . 1342 LYS CE . 7002 1 981 . 2 2 4 4 LYS N N 15 118.95 0.30 . 1 . . . . 1342 LYS N . 7002 1 982 . 2 2 5 5 SER H H 1 8.16 0.03 . 1 . . . . 1343 SER H . 7002 1 983 . 2 2 5 5 SER HA H 1 4.23 0.03 . 1 . . . . 1343 SER HA . 7002 1 984 . 2 2 5 5 SER HB2 H 1 3.90 0.03 . 2 . . . . 1343 SER HB2 . 7002 1 985 . 2 2 5 5 SER HB3 H 1 4.01 0.03 . 2 . . . . 1343 SER HB3 . 7002 1 986 . 2 2 5 5 SER C C 13 176.88 0.20 . 1 . . . . 1343 SER C . 7002 1 987 . 2 2 5 5 SER CA C 13 60.91 0.20 . 1 . . . . 1343 SER CA . 7002 1 988 . 2 2 5 5 SER CB C 13 62.30 0.20 . 1 . . . . 1343 SER CB . 7002 1 989 . 2 2 5 5 SER N N 15 113.84 0.30 . 1 . . . . 1343 SER N . 7002 1 990 . 2 2 6 6 LEU H H 1 7.93 0.03 . 1 . . . . 1344 LEU H . 7002 1 991 . 2 2 6 6 LEU HA H 1 4.25 0.03 . 1 . . . . 1344 LEU HA . 7002 1 992 . 2 2 6 6 LEU HB2 H 1 1.70 0.03 . 2 . . . . 1344 LEU HB2 . 7002 1 993 . 2 2 6 6 LEU HB3 H 1 1.73 0.03 . 2 . . . . 1344 LEU HB3 . 7002 1 994 . 2 2 6 6 LEU HG H 1 1.68 0.03 . 1 . . . . 1344 LEU HG . 7002 1 995 . 2 2 6 6 LEU HD11 H 1 0.92 0.03 . 2 . . . . 1344 LEU HD1 . 7002 1 996 . 2 2 6 6 LEU HD12 H 1 0.92 0.03 . 2 . . . . 1344 LEU HD1 . 7002 1 997 . 2 2 6 6 LEU HD13 H 1 0.92 0.03 . 2 . . . . 1344 LEU HD1 . 7002 1 998 . 2 2 6 6 LEU HD21 H 1 0.91 0.03 . 2 . . . . 1344 LEU HD2 . 7002 1 999 . 2 2 6 6 LEU HD22 H 1 0.91 0.03 . 2 . . . . 1344 LEU HD2 . 7002 1 1000 . 2 2 6 6 LEU HD23 H 1 0.91 0.03 . 2 . . . . 1344 LEU HD2 . 7002 1 1001 . 2 2 6 6 LEU C C 13 178.81 0.20 . 1 . . . . 1344 LEU C . 7002 1 1002 . 2 2 6 6 LEU CA C 13 57.17 0.20 . 1 . . . . 1344 LEU CA . 7002 1 1003 . 2 2 6 6 LEU CB C 13 41.79 0.20 . 1 . . . . 1344 LEU CB . 7002 1 1004 . 2 2 6 6 LEU CG C 13 27.11 0.20 . 1 . . . . 1344 LEU CG . 7002 1 1005 . 2 2 6 6 LEU CD1 C 13 24.71 0.20 . 2 . . . . 1344 LEU CD1 . 7002 1 1006 . 2 2 6 6 LEU CD2 C 13 23.75 0.20 . 2 . . . . 1344 LEU CD2 . 7002 1 1007 . 2 2 6 6 LEU N N 15 122.65 0.30 . 1 . . . . 1344 LEU N . 7002 1 1008 . 2 2 7 7 ALA H H 1 7.93 0.03 . 1 . . . . 1345 ALA H . 7002 1 1009 . 2 2 7 7 ALA HA H 1 4.20 0.03 . 1 . . . . 1345 ALA HA . 7002 1 1010 . 2 2 7 7 ALA HB1 H 1 1.74 0.03 . 1 . . . . 1345 ALA HB . 7002 1 1011 . 2 2 7 7 ALA HB2 H 1 1.74 0.03 . 1 . . . . 1345 ALA HB . 7002 1 1012 . 2 2 7 7 ALA HB3 H 1 1.74 0.03 . 1 . . . . 1345 ALA HB . 7002 1 1013 . 2 2 7 7 ALA C C 13 178.98 0.20 . 1 . . . . 1345 ALA C . 7002 1 1014 . 2 2 7 7 ALA CA C 13 55.41 0.20 . 1 . . . . 1345 ALA CA . 7002 1 1015 . 2 2 7 7 ALA CB C 13 18.84 0.20 . 1 . . . . 1345 ALA CB . 7002 1 1016 . 2 2 7 7 ALA N N 15 121.39 0.30 . 1 . . . . 1345 ALA N . 7002 1 1017 . 2 2 8 8 VAL H H 1 7.81 0.03 . 1 . . . . 1346 VAL H . 7002 1 1018 . 2 2 8 8 VAL HA H 1 3.34 0.03 . 1 . . . . 1346 VAL HA . 7002 1 1019 . 2 2 8 8 VAL HB H 1 2.26 0.03 . 1 . . . . 1346 VAL HB . 7002 1 1020 . 2 2 8 8 VAL HG11 H 1 1.15 0.03 . 2 . . . . 1346 VAL HG1 . 7002 1 1021 . 2 2 8 8 VAL HG12 H 1 1.15 0.03 . 2 . . . . 1346 VAL HG1 . 7002 1 1022 . 2 2 8 8 VAL HG13 H 1 1.15 0.03 . 2 . . . . 1346 VAL HG1 . 7002 1 1023 . 2 2 8 8 VAL HG21 H 1 1.04 0.03 . 2 . . . . 1346 VAL HG2 . 7002 1 1024 . 2 2 8 8 VAL HG22 H 1 1.04 0.03 . 2 . . . . 1346 VAL HG2 . 7002 1 1025 . 2 2 8 8 VAL HG23 H 1 1.04 0.03 . 2 . . . . 1346 VAL HG2 . 7002 1 1026 . 2 2 8 8 VAL C C 13 178.47 0.20 . 1 . . . . 1346 VAL C . 7002 1 1027 . 2 2 8 8 VAL CA C 13 66.86 0.20 . 1 . . . . 1346 VAL CA . 7002 1 1028 . 2 2 8 8 VAL CB C 13 31.71 0.20 . 1 . . . . 1346 VAL CB . 7002 1 1029 . 2 2 8 8 VAL CG1 C 13 23.46 0.20 . 2 . . . . 1346 VAL CG1 . 7002 1 1030 . 2 2 8 8 VAL CG2 C 13 21.68 0.20 . 2 . . . . 1346 VAL CG2 . 7002 1 1031 . 2 2 8 8 VAL N N 15 115.46 0.30 . 1 . . . . 1346 VAL N . 7002 1 1032 . 2 2 9 9 GLU H H 1 8.06 0.03 . 1 . . . . 1347 GLU H . 7002 1 1033 . 2 2 9 9 GLU HA H 1 4.05 0.03 . 1 . . . . 1347 GLU HA . 7002 1 1034 . 2 2 9 9 GLU HB2 H 1 2.06 0.03 . 2 . . . . 1347 GLU HB2 . 7002 1 1035 . 2 2 9 9 GLU HB3 H 1 2.22 0.03 . 2 . . . . 1347 GLU HB3 . 7002 1 1036 . 2 2 9 9 GLU HG2 H 1 2.15 0.03 . 2 . . . . 1347 GLU HG2 . 7002 1 1037 . 2 2 9 9 GLU HG3 H 1 2.43 0.03 . 2 . . . . 1347 GLU HG3 . 7002 1 1038 . 2 2 9 9 GLU C C 13 179.70 0.20 . 1 . . . . 1347 GLU C . 7002 1 1039 . 2 2 9 9 GLU CA C 13 59.38 0.20 . 1 . . . . 1347 GLU CA . 7002 1 1040 . 2 2 9 9 GLU CB C 13 29.41 0.20 . 1 . . . . 1347 GLU CB . 7002 1 1041 . 2 2 9 9 GLU CG C 13 36.27 0.20 . 1 . . . . 1347 GLU CG . 7002 1 1042 . 2 2 9 9 GLU N N 15 119.32 0.30 . 1 . . . . 1347 GLU N . 7002 1 1043 . 2 2 10 10 GLU H H 1 8.42 0.03 . 1 . . . . 1348 GLU H . 7002 1 1044 . 2 2 10 10 GLU HA H 1 4.08 0.03 . 1 . . . . 1348 GLU HA . 7002 1 1045 . 2 2 10 10 GLU HB2 H 1 2.06 0.03 . 2 . . . . 1348 GLU HB2 . 7002 1 1046 . 2 2 10 10 GLU HB3 H 1 2.26 0.03 . 2 . . . . 1348 GLU HB3 . 7002 1 1047 . 2 2 10 10 GLU HG3 H 1 2.34 0.03 . 2 . . . . 1348 GLU HG3 . 7002 1 1048 . 2 2 10 10 GLU C C 13 179.28 0.20 . 1 . . . . 1348 GLU C . 7002 1 1049 . 2 2 10 10 GLU CA C 13 59.05 0.20 . 1 . . . . 1348 GLU CA . 7002 1 1050 . 2 2 10 10 GLU CB C 13 29.05 0.20 . 1 . . . . 1348 GLU CB . 7002 1 1051 . 2 2 10 10 GLU CG C 13 35.23 0.20 . 1 . . . . 1348 GLU CG . 7002 1 1052 . 2 2 10 10 GLU N N 15 120.00 0.30 . 1 . . . . 1348 GLU N . 7002 1 1053 . 2 2 11 11 LEU H H 1 7.88 0.03 . 1 . . . . 1349 LEU H . 7002 1 1054 . 2 2 11 11 LEU HA H 1 4.32 0.03 . 1 . . . . 1349 LEU HA . 7002 1 1055 . 2 2 11 11 LEU HB2 H 1 1.45 0.03 . 2 . . . . 1349 LEU HB2 . 7002 1 1056 . 2 2 11 11 LEU HB3 H 1 1.70 0.03 . 2 . . . . 1349 LEU HB3 . 7002 1 1057 . 2 2 11 11 LEU HG H 1 1.60 0.03 . 1 . . . . 1349 LEU HG . 7002 1 1058 . 2 2 11 11 LEU HD11 H 1 0.77 0.03 . 2 . . . . 1349 LEU HD1 . 7002 1 1059 . 2 2 11 11 LEU HD12 H 1 0.77 0.03 . 2 . . . . 1349 LEU HD1 . 7002 1 1060 . 2 2 11 11 LEU HD13 H 1 0.77 0.03 . 2 . . . . 1349 LEU HD1 . 7002 1 1061 . 2 2 11 11 LEU HD21 H 1 0.75 0.03 . 2 . . . . 1349 LEU HD2 . 7002 1 1062 . 2 2 11 11 LEU HD22 H 1 0.75 0.03 . 2 . . . . 1349 LEU HD2 . 7002 1 1063 . 2 2 11 11 LEU HD23 H 1 0.75 0.03 . 2 . . . . 1349 LEU HD2 . 7002 1 1064 . 2 2 11 11 LEU C C 13 179.94 0.20 . 1 . . . . 1349 LEU C . 7002 1 1065 . 2 2 11 11 LEU CA C 13 58.88 0.20 . 1 . . . . 1349 LEU CA . 7002 1 1066 . 2 2 11 11 LEU CB C 13 42.06 0.20 . 1 . . . . 1349 LEU CB . 7002 1 1067 . 2 2 11 11 LEU CG C 13 27.68 0.20 . 1 . . . . 1349 LEU CG . 7002 1 1068 . 2 2 11 11 LEU CD1 C 13 25.30 0.20 . 2 . . . . 1349 LEU CD1 . 7002 1 1069 . 2 2 11 11 LEU CD2 C 13 24.95 0.20 . 2 . . . . 1349 LEU CD2 . 7002 1 1070 . 2 2 11 11 LEU N N 15 117.89 0.30 . 1 . . . . 1349 LEU N . 7002 1 1071 . 2 2 12 12 SER H H 1 8.86 0.03 . 1 . . . . 1350 SER H . 7002 1 1072 . 2 2 12 12 SER HA H 1 4.75 0.03 . 1 . . . . 1350 SER HA . 7002 1 1073 . 2 2 12 12 SER HB2 H 1 3.84 0.03 . 2 . . . . 1350 SER HB2 . 7002 1 1074 . 2 2 12 12 SER HB3 H 1 4.00 0.03 . 2 . . . . 1350 SER HB3 . 7002 1 1075 . 2 2 12 12 SER C C 13 179.10 0.20 . 1 . . . . 1350 SER C . 7002 1 1076 . 2 2 12 12 SER CA C 13 60.90 0.20 . 1 . . . . 1350 SER CA . 7002 1 1077 . 2 2 12 12 SER CB C 13 62.62 0.20 . 1 . . . . 1350 SER CB . 7002 1 1078 . 2 2 12 12 SER N N 15 115.01 0.30 . 1 . . . . 1350 SER N . 7002 1 1079 . 2 2 13 13 GLY H H 1 8.19 0.03 . 1 . . . . 1351 GLY H . 7002 1 1080 . 2 2 13 13 GLY HA2 H 1 3.96 0.03 . 2 . . . . 1351 GLY HA2 . 7002 1 1081 . 2 2 13 13 GLY HA3 H 1 4.00 0.03 . 2 . . . . 1351 GLY HA3 . 7002 1 1082 . 2 2 13 13 GLY C C 13 175.03 0.20 . 1 . . . . 1351 GLY C . 7002 1 1083 . 2 2 13 13 GLY CA C 13 46.26 0.20 . 1 . . . . 1351 GLY CA . 7002 1 1084 . 2 2 13 13 GLY N N 15 109.35 0.30 . 1 . . . . 1351 GLY N . 7002 1 1085 . 2 2 14 14 MET H H 1 7.42 0.03 . 1 . . . . 1352 MET H . 7002 1 1086 . 2 2 14 14 MET HA H 1 4.30 0.03 . 1 . . . . 1352 MET HA . 7002 1 1087 . 2 2 14 14 MET HB2 H 1 1.90 0.03 . 2 . . . . 1352 MET HB2 . 7002 1 1088 . 2 2 14 14 MET HB3 H 1 2.33 0.03 . 2 . . . . 1352 MET HB3 . 7002 1 1089 . 2 2 14 14 MET HG3 H 1 2.59 0.03 . 2 . . . . 1352 MET HG3 . 7002 1 1090 . 2 2 14 14 MET HE1 H 1 2.03 0.03 . 1 . . . . 1352 MET HE . 7002 1 1091 . 2 2 14 14 MET HE2 H 1 2.03 0.03 . 1 . . . . 1352 MET HE . 7002 1 1092 . 2 2 14 14 MET HE3 H 1 2.03 0.03 . 1 . . . . 1352 MET HE . 7002 1 1093 . 2 2 14 14 MET C C 13 175.25 0.20 . 1 . . . . 1352 MET C . 7002 1 1094 . 2 2 14 14 MET CA C 13 57.91 0.20 . 1 . . . . 1352 MET CA . 7002 1 1095 . 2 2 14 14 MET CB C 13 33.43 0.20 . 1 . . . . 1352 MET CB . 7002 1 1096 . 2 2 14 14 MET CG C 13 32.34 0.20 . 1 . . . . 1352 MET CG . 7002 1 1097 . 2 2 14 14 MET CE C 13 18.00 0.20 . 1 . . . . 1352 MET CE . 7002 1 1098 . 2 2 14 14 MET N N 15 116.43 0.30 . 1 . . . . 1352 MET N . 7002 1 1099 . 2 2 15 15 GLY H H 1 7.82 0.03 . 1 . . . . 1353 GLY H . 7002 1 1100 . 2 2 15 15 GLY HA2 H 1 3.52 0.03 . 2 . . . . 1353 GLY HA2 . 7002 1 1101 . 2 2 15 15 GLY HA3 H 1 3.79 0.03 . 2 . . . . 1353 GLY HA3 . 7002 1 1102 . 2 2 15 15 GLY C C 13 173.35 0.20 . 1 . . . . 1353 GLY C . 7002 1 1103 . 2 2 15 15 GLY CA C 13 44.67 0.20 . 1 . . . . 1353 GLY CA . 7002 1 1104 . 2 2 15 15 GLY N N 15 103.29 0.30 . 1 . . . . 1353 GLY N . 7002 1 1105 . 2 2 16 16 PHE H H 1 7.15 0.03 . 1 . . . . 1354 PHE H . 7002 1 1106 . 2 2 16 16 PHE HA H 1 4.87 0.03 . 1 . . . . 1354 PHE HA . 7002 1 1107 . 2 2 16 16 PHE HB2 H 1 2.33 0.03 . 2 . . . . 1354 PHE HB2 . 7002 1 1108 . 2 2 16 16 PHE HB3 H 1 3.30 0.03 . 2 . . . . 1354 PHE HB3 . 7002 1 1109 . 2 2 16 16 PHE HD1 H 1 7.37 0.03 . 3 . . . . 1354 PHE HD1 . 7002 1 1110 . 2 2 16 16 PHE HE1 H 1 7.19 0.03 . 3 . . . . 1354 PHE HE1 . 7002 1 1111 . 2 2 16 16 PHE HZ H 1 6.90 0.03 . 1 . . . . 1354 PHE HZ . 7002 1 1112 . 2 2 16 16 PHE C C 13 175.64 0.20 . 1 . . . . 1354 PHE C . 7002 1 1113 . 2 2 16 16 PHE CA C 13 57.42 0.20 . 1 . . . . 1354 PHE CA . 7002 1 1114 . 2 2 16 16 PHE CB C 13 40.30 0.20 . 1 . . . . 1354 PHE CB . 7002 1 1115 . 2 2 16 16 PHE N N 15 118.01 0.30 . 1 . . . . 1354 PHE N . 7002 1 1116 . 2 2 17 17 THR H H 1 9.66 0.03 . 1 . . . . 1355 THR H . 7002 1 1117 . 2 2 17 17 THR HA H 1 4.40 0.03 . 1 . . . . 1355 THR HA . 7002 1 1118 . 2 2 17 17 THR HB H 1 4.77 0.03 . 1 . . . . 1355 THR HB . 7002 1 1119 . 2 2 17 17 THR HG21 H 1 1.41 0.03 . 1 . . . . 1355 THR HG2 . 7002 1 1120 . 2 2 17 17 THR HG22 H 1 1.41 0.03 . 1 . . . . 1355 THR HG2 . 7002 1 1121 . 2 2 17 17 THR HG23 H 1 1.41 0.03 . 1 . . . . 1355 THR HG2 . 7002 1 1122 . 2 2 17 17 THR C C 13 175.32 0.20 . 1 . . . . 1355 THR C . 7002 1 1123 . 2 2 17 17 THR CA C 13 61.34 0.20 . 1 . . . . 1355 THR CA . 7002 1 1124 . 2 2 17 17 THR CB C 13 70.53 0.20 . 1 . . . . 1355 THR CB . 7002 1 1125 . 2 2 17 17 THR CG2 C 13 21.95 0.20 . 1 . . . . 1355 THR CG2 . 7002 1 1126 . 2 2 17 17 THR N N 15 112.62 0.30 . 1 . . . . 1355 THR N . 7002 1 1127 . 2 2 18 18 GLU H H 1 8.98 0.03 . 1 . . . . 1356 GLU H . 7002 1 1128 . 2 2 18 18 GLU HA H 1 3.84 0.03 . 1 . . . . 1356 GLU HA . 7002 1 1129 . 2 2 18 18 GLU HB2 H 1 2.05 0.03 . 2 . . . . 1356 GLU HB2 . 7002 1 1130 . 2 2 18 18 GLU HB3 H 1 2.10 0.03 . 2 . . . . 1356 GLU HB3 . 7002 1 1131 . 2 2 18 18 GLU HG2 H 1 2.25 0.03 . 2 . . . . 1356 GLU HG2 . 7002 1 1132 . 2 2 18 18 GLU HG3 H 1 2.40 0.03 . 2 . . . . 1356 GLU HG3 . 7002 1 1133 . 2 2 18 18 GLU C C 13 178.67 0.20 . 1 . . . . 1356 GLU C . 7002 1 1134 . 2 2 18 18 GLU CA C 13 60.55 0.20 . 1 . . . . 1356 GLU CA . 7002 1 1135 . 2 2 18 18 GLU CB C 13 29.18 0.20 . 1 . . . . 1356 GLU CB . 7002 1 1136 . 2 2 18 18 GLU CG C 13 36.70 0.20 . 1 . . . . 1356 GLU CG . 7002 1 1137 . 2 2 18 18 GLU N N 15 120.32 0.30 . 1 . . . . 1356 GLU N . 7002 1 1138 . 2 2 19 19 GLU H H 1 8.60 0.03 . 1 . . . . 1357 GLU H . 7002 1 1139 . 2 2 19 19 GLU HA H 1 4.10 0.03 . 1 . . . . 1357 GLU HA . 7002 1 1140 . 2 2 19 19 GLU HB2 H 1 1.95 0.03 . 2 . . . . 1357 GLU HB2 . 7002 1 1141 . 2 2 19 19 GLU HB3 H 1 2.10 0.03 . 2 . . . . 1357 GLU HB3 . 7002 1 1142 . 2 2 19 19 GLU HG3 H 1 2.30 0.03 . 2 . . . . 1357 GLU HG3 . 7002 1 1143 . 2 2 19 19 GLU C C 13 179.22 0.20 . 1 . . . . 1357 GLU C . 7002 1 1144 . 2 2 19 19 GLU CA C 13 59.87 0.20 . 1 . . . . 1357 GLU CA . 7002 1 1145 . 2 2 19 19 GLU CB C 13 29.41 0.20 . 1 . . . . 1357 GLU CB . 7002 1 1146 . 2 2 19 19 GLU CG C 13 36.37 0.20 . 1 . . . . 1357 GLU CG . 7002 1 1147 . 2 2 19 19 GLU N N 15 117.21 0.30 . 1 . . . . 1357 GLU N . 7002 1 1148 . 2 2 20 20 GLU H H 1 8.00 0.03 . 1 . . . . 1358 GLU H . 7002 1 1149 . 2 2 20 20 GLU HA H 1 4.12 0.03 . 1 . . . . 1358 GLU HA . 7002 1 1150 . 2 2 20 20 GLU HB2 H 1 1.89 0.03 . 2 . . . . 1358 GLU HB2 . 7002 1 1151 . 2 2 20 20 GLU HB3 H 1 2.40 0.03 . 2 . . . . 1358 GLU HB3 . 7002 1 1152 . 2 2 20 20 GLU HG2 H 1 2.35 0.03 . 2 . . . . 1358 GLU HG2 . 7002 1 1153 . 2 2 20 20 GLU HG3 H 1 2.52 0.03 . 2 . . . . 1358 GLU HG3 . 7002 1 1154 . 2 2 20 20 GLU C C 13 179.56 0.20 . 1 . . . . 1358 GLU C . 7002 1 1155 . 2 2 20 20 GLU CA C 13 58.70 0.20 . 1 . . . . 1358 GLU CA . 7002 1 1156 . 2 2 20 20 GLU CB C 13 29.37 0.20 . 1 . . . . 1358 GLU CB . 7002 1 1157 . 2 2 20 20 GLU CG C 13 36.79 0.20 . 1 . . . . 1358 GLU CG . 7002 1 1158 . 2 2 20 20 GLU N N 15 118.99 0.30 . 1 . . . . 1358 GLU N . 7002 1 1159 . 2 2 21 21 ALA H H 1 8.67 0.03 . 1 . . . . 1359 ALA H . 7002 1 1160 . 2 2 21 21 ALA HA H 1 3.83 0.03 . 1 . . . . 1359 ALA HA . 7002 1 1161 . 2 2 21 21 ALA HB1 H 1 1.44 0.03 . 1 . . . . 1359 ALA HB . 7002 1 1162 . 2 2 21 21 ALA HB2 H 1 1.44 0.03 . 1 . . . . 1359 ALA HB . 7002 1 1163 . 2 2 21 21 ALA HB3 H 1 1.44 0.03 . 1 . . . . 1359 ALA HB . 7002 1 1164 . 2 2 21 21 ALA C C 13 178.22 0.20 . 1 . . . . 1359 ALA C . 7002 1 1165 . 2 2 21 21 ALA CA C 13 55.02 0.20 . 1 . . . . 1359 ALA CA . 7002 1 1166 . 2 2 21 21 ALA CB C 13 19.64 0.20 . 1 . . . . 1359 ALA CB . 7002 1 1167 . 2 2 21 21 ALA N N 15 120.95 0.30 . 1 . . . . 1359 ALA N . 7002 1 1168 . 2 2 22 22 HIS H H 1 8.86 0.03 . 1 . . . . 1360 HIS H . 7002 1 1169 . 2 2 22 22 HIS HA H 1 3.79 0.03 . 1 . . . . 1360 HIS HA . 7002 1 1170 . 2 2 22 22 HIS HB2 H 1 3.35 0.03 . 2 . . . . 1360 HIS HB2 . 7002 1 1171 . 2 2 22 22 HIS HB3 H 1 3.38 0.03 . 2 . . . . 1360 HIS HB3 . 7002 1 1172 . 2 2 22 22 HIS HD2 H 1 7.36 0.03 . 1 . . . . 1360 HIS HD2 . 7002 1 1173 . 2 2 22 22 HIS HE1 H 1 8.60 0.03 . 1 . . . . 1360 HIS HE1 . 7002 1 1174 . 2 2 22 22 HIS C C 13 176.41 0.20 . 1 . . . . 1360 HIS C . 7002 1 1175 . 2 2 22 22 HIS CA C 13 60.09 0.20 . 1 . . . . 1360 HIS CA . 7002 1 1176 . 2 2 22 22 HIS CB C 13 28.68 0.20 . 1 . . . . 1360 HIS CB . 7002 1 1177 . 2 2 22 22 HIS CD2 C 13 119.99 0.20 . 1 . . . . 1360 HIS CD2 . 7002 1 1178 . 2 2 22 22 HIS CE1 C 13 136.64 0.20 . 1 . . . . 1360 HIS CE1 . 7002 1 1179 . 2 2 22 22 HIS N N 15 114.87 0.30 . 1 . . . . 1360 HIS N . 7002 1 1180 . 2 2 23 23 ASN H H 1 8.12 0.03 . 1 . . . . 1361 ASN H . 7002 1 1181 . 2 2 23 23 ASN HA H 1 4.27 0.03 . 1 . . . . 1361 ASN HA . 7002 1 1182 . 2 2 23 23 ASN HB2 H 1 2.75 0.03 . 2 . . . . 1361 ASN HB2 . 7002 1 1183 . 2 2 23 23 ASN HB3 H 1 2.86 0.03 . 2 . . . . 1361 ASN HB3 . 7002 1 1184 . 2 2 23 23 ASN HD21 H 1 8.07 0.03 . 2 . . . . 1361 ASN HD21 . 7002 1 1185 . 2 2 23 23 ASN HD22 H 1 7.10 0.03 . 2 . . . . 1361 ASN HD22 . 7002 1 1186 . 2 2 23 23 ASN C C 13 176.66 0.20 . 1 . . . . 1361 ASN C . 7002 1 1187 . 2 2 23 23 ASN CA C 13 56.45 0.20 . 1 . . . . 1361 ASN CA . 7002 1 1188 . 2 2 23 23 ASN CB C 13 38.42 0.20 . 1 . . . . 1361 ASN CB . 7002 1 1189 . 2 2 23 23 ASN N N 15 115.04 0.30 . 1 . . . . 1361 ASN N . 7002 1 1190 . 2 2 23 23 ASN ND2 N 15 112.78 0.30 . 1 . . . . 1361 ASN ND2 . 7002 1 1191 . 2 2 24 24 ALA H H 1 7.86 0.03 . 1 . . . . 1362 ALA H . 7002 1 1192 . 2 2 24 24 ALA HA H 1 3.49 0.03 . 1 . . . . 1362 ALA HA . 7002 1 1193 . 2 2 24 24 ALA HB1 H 1 1.39 0.03 . 1 . . . . 1362 ALA HB . 7002 1 1194 . 2 2 24 24 ALA HB2 H 1 1.39 0.03 . 1 . . . . 1362 ALA HB . 7002 1 1195 . 2 2 24 24 ALA HB3 H 1 1.39 0.03 . 1 . . . . 1362 ALA HB . 7002 1 1196 . 2 2 24 24 ALA C C 13 178.82 0.20 . 1 . . . . 1362 ALA C . 7002 1 1197 . 2 2 24 24 ALA CA C 13 54.85 0.20 . 1 . . . . 1362 ALA CA . 7002 1 1198 . 2 2 24 24 ALA CB C 13 19.16 0.20 . 1 . . . . 1362 ALA CB . 7002 1 1199 . 2 2 24 24 ALA N N 15 119.80 0.30 . 1 . . . . 1362 ALA N . 7002 1 1200 . 2 2 25 25 LEU H H 1 7.78 0.03 . 1 . . . . 1363 LEU H . 7002 1 1201 . 2 2 25 25 LEU HA H 1 2.98 0.03 . 1 . . . . 1363 LEU HA . 7002 1 1202 . 2 2 25 25 LEU HB2 H 1 -0.51 0.03 . 2 . . . . 1363 LEU HB2 . 7002 1 1203 . 2 2 25 25 LEU HB3 H 1 0.76 0.03 . 2 . . . . 1363 LEU HB3 . 7002 1 1204 . 2 2 25 25 LEU HG H 1 1.02 0.03 . 1 . . . . 1363 LEU HG . 7002 1 1205 . 2 2 25 25 LEU HD11 H 1 0.55 0.03 . 2 . . . . 1363 LEU HD1 . 7002 1 1206 . 2 2 25 25 LEU HD12 H 1 0.55 0.03 . 2 . . . . 1363 LEU HD1 . 7002 1 1207 . 2 2 25 25 LEU HD13 H 1 0.55 0.03 . 2 . . . . 1363 LEU HD1 . 7002 1 1208 . 2 2 25 25 LEU HD21 H 1 0.40 0.03 . 2 . . . . 1363 LEU HD2 . 7002 1 1209 . 2 2 25 25 LEU HD22 H 1 0.40 0.03 . 2 . . . . 1363 LEU HD2 . 7002 1 1210 . 2 2 25 25 LEU HD23 H 1 0.40 0.03 . 2 . . . . 1363 LEU HD2 . 7002 1 1211 . 2 2 25 25 LEU C C 13 178.42 0.20 . 1 . . . . 1363 LEU C . 7002 1 1212 . 2 2 25 25 LEU CA C 13 58.22 0.20 . 1 . . . . 1363 LEU CA . 7002 1 1213 . 2 2 25 25 LEU CB C 13 39.16 0.20 . 1 . . . . 1363 LEU CB . 7002 1 1214 . 2 2 25 25 LEU CG C 13 27.57 0.20 . 1 . . . . 1363 LEU CG . 7002 1 1215 . 2 2 25 25 LEU CD1 C 13 26.12 0.20 . 2 . . . . 1363 LEU CD1 . 7002 1 1216 . 2 2 25 25 LEU CD2 C 13 23.02 0.20 . 2 . . . . 1363 LEU CD2 . 7002 1 1217 . 2 2 25 25 LEU N N 15 116.50 0.30 . 1 . . . . 1363 LEU N . 7002 1 1218 . 2 2 26 26 GLU H H 1 7.71 0.03 . 1 . . . . 1364 GLU H . 7002 1 1219 . 2 2 26 26 GLU HA H 1 3.55 0.03 . 1 . . . . 1364 GLU HA . 7002 1 1220 . 2 2 26 26 GLU HB3 H 1 1.92 0.03 . 2 . . . . 1364 GLU HB3 . 7002 1 1221 . 2 2 26 26 GLU HG2 H 1 2.21 0.03 . 2 . . . . 1364 GLU HG2 . 7002 1 1222 . 2 2 26 26 GLU HG3 H 1 2.24 0.03 . 2 . . . . 1364 GLU HG3 . 7002 1 1223 . 2 2 26 26 GLU C C 13 180.08 0.20 . 1 . . . . 1364 GLU C . 7002 1 1224 . 2 2 26 26 GLU CA C 13 59.33 0.20 . 1 . . . . 1364 GLU CA . 7002 1 1225 . 2 2 26 26 GLU CB C 13 29.41 0.20 . 1 . . . . 1364 GLU CB . 7002 1 1226 . 2 2 26 26 GLU CG C 13 36.20 0.20 . 1 . . . . 1364 GLU CG . 7002 1 1227 . 2 2 26 26 GLU N N 15 117.58 0.30 . 1 . . . . 1364 GLU N . 7002 1 1228 . 2 2 27 27 LYS H H 1 7.62 0.03 . 1 . . . . 1365 LYS H . 7002 1 1229 . 2 2 27 27 LYS HA H 1 3.92 0.03 . 1 . . . . 1365 LYS HA . 7002 1 1230 . 2 2 27 27 LYS HB3 H 1 1.45 0.03 . 2 . . . . 1365 LYS HB3 . 7002 1 1231 . 2 2 27 27 LYS HG2 H 1 1.20 0.03 . 2 . . . . 1365 LYS HG2 . 7002 1 1232 . 2 2 27 27 LYS HG3 H 1 1.30 0.03 . 2 . . . . 1365 LYS HG3 . 7002 1 1233 . 2 2 27 27 LYS HD3 H 1 1.31 0.03 . 2 . . . . 1365 LYS HD3 . 7002 1 1234 . 2 2 27 27 LYS HE3 H 1 2.87 0.03 . 2 . . . . 1365 LYS HE3 . 7002 1 1235 . 2 2 27 27 LYS C C 13 177.91 0.20 . 1 . . . . 1365 LYS C . 7002 1 1236 . 2 2 27 27 LYS CA C 13 58.02 0.20 . 1 . . . . 1365 LYS CA . 7002 1 1237 . 2 2 27 27 LYS CB C 13 32.39 0.20 . 1 . . . . 1365 LYS CB . 7002 1 1238 . 2 2 27 27 LYS CG C 13 25.02 0.20 . 1 . . . . 1365 LYS CG . 7002 1 1239 . 2 2 27 27 LYS CD C 13 28.46 0.20 . 1 . . . . 1365 LYS CD . 7002 1 1240 . 2 2 27 27 LYS CE C 13 41.98 0.20 . 1 . . . . 1365 LYS CE . 7002 1 1241 . 2 2 27 27 LYS N N 15 117.19 0.30 . 1 . . . . 1365 LYS N . 7002 1 1242 . 2 2 28 28 CYS H H 1 7.12 0.03 . 1 . . . . 1366 CYS H . 7002 1 1243 . 2 2 28 28 CYS HA H 1 4.46 0.03 . 1 . . . . 1366 CYS HA . 7002 1 1244 . 2 2 28 28 CYS HB2 H 1 2.40 0.03 . 2 . . . . 1366 CYS HB2 . 7002 1 1245 . 2 2 28 28 CYS HB3 H 1 3.09 0.03 . 2 . . . . 1366 CYS HB3 . 7002 1 1246 . 2 2 28 28 CYS C C 13 174.58 0.20 . 1 . . . . 1366 CYS C . 7002 1 1247 . 2 2 28 28 CYS CA C 13 58.19 0.20 . 1 . . . . 1366 CYS CA . 7002 1 1248 . 2 2 28 28 CYS CB C 13 27.59 0.20 . 1 . . . . 1366 CYS CB . 7002 1 1249 . 2 2 28 28 CYS N N 15 112.55 0.30 . 1 . . . . 1366 CYS N . 7002 1 1250 . 2 2 29 29 ASN H H 1 7.67 0.03 . 1 . . . . 1367 ASN H . 7002 1 1251 . 2 2 29 29 ASN HA H 1 4.46 0.03 . 1 . . . . 1367 ASN HA . 7002 1 1252 . 2 2 29 29 ASN HB2 H 1 2.67 0.03 . 2 . . . . 1367 ASN HB2 . 7002 1 1253 . 2 2 29 29 ASN HB3 H 1 3.11 0.03 . 2 . . . . 1367 ASN HB3 . 7002 1 1254 . 2 2 29 29 ASN HD21 H 1 7.61 0.03 . 2 . . . . 1367 ASN HD21 . 7002 1 1255 . 2 2 29 29 ASN HD22 H 1 6.83 0.03 . 2 . . . . 1367 ASN HD22 . 7002 1 1256 . 2 2 29 29 ASN C C 13 174.00 0.20 . 1 . . . . 1367 ASN C . 7002 1 1257 . 2 2 29 29 ASN CA C 13 54.97 0.20 . 1 . . . . 1367 ASN CA . 7002 1 1258 . 2 2 29 29 ASN CB C 13 37.12 0.20 . 1 . . . . 1367 ASN CB . 7002 1 1259 . 2 2 29 29 ASN N N 15 116.44 0.30 . 1 . . . . 1367 ASN N . 7002 1 1260 . 2 2 29 29 ASN ND2 N 15 111.29 0.30 . 1 . . . . 1367 ASN ND2 . 7002 1 1261 . 2 2 30 30 TRP H H 1 9.07 0.03 . 1 . . . . 1368 TRP H . 7002 1 1262 . 2 2 30 30 TRP HA H 1 3.10 0.03 . 1 . . . . 1368 TRP HA . 7002 1 1263 . 2 2 30 30 TRP HB2 H 1 3.17 0.03 . 2 . . . . 1368 TRP HB2 . 7002 1 1264 . 2 2 30 30 TRP HB3 H 1 3.55 0.03 . 2 . . . . 1368 TRP HB3 . 7002 1 1265 . 2 2 30 30 TRP HD1 H 1 7.10 0.03 . 1 . . . . 1368 TRP HD1 . 7002 1 1266 . 2 2 30 30 TRP HE1 H 1 10.21 0.03 . 1 . . . . 1368 TRP HE1 . 7002 1 1267 . 2 2 30 30 TRP HE3 H 1 7.45 0.03 . 1 . . . . 1368 TRP HE3 . 7002 1 1268 . 2 2 30 30 TRP HZ2 H 1 7.35 0.03 . 1 . . . . 1368 TRP HZ2 . 7002 1 1269 . 2 2 30 30 TRP HZ3 H 1 7.25 0.03 . 1 . . . . 1368 TRP HZ3 . 7002 1 1270 . 2 2 30 30 TRP HH2 H 1 6.84 0.03 . 1 . . . . 1368 TRP HH2 . 7002 1 1271 . 2 2 30 30 TRP C C 13 172.92 0.20 . 1 . . . . 1368 TRP C . 7002 1 1272 . 2 2 30 30 TRP CA C 13 59.80 0.20 . 1 . . . . 1368 TRP CA . 7002 1 1273 . 2 2 30 30 TRP CB C 13 24.32 0.20 . 1 . . . . 1368 TRP CB . 7002 1 1274 . 2 2 30 30 TRP CD1 C 13 127.00 0.20 . 1 . . . . 1368 TRP CD1 . 7002 1 1275 . 2 2 30 30 TRP CE3 C 13 120.14 0.20 . 1 . . . . 1368 TRP CE3 . 7002 1 1276 . 2 2 30 30 TRP CZ2 C 13 114.32 0.20 . 1 . . . . 1368 TRP CZ2 . 7002 1 1277 . 2 2 30 30 TRP CZ3 C 13 123.31 0.20 . 1 . . . . 1368 TRP CZ3 . 7002 1 1278 . 2 2 30 30 TRP CH2 C 13 123.50 0.20 . 1 . . . . 1368 TRP CH2 . 7002 1 1279 . 2 2 30 30 TRP N N 15 109.03 0.30 . 1 . . . . 1368 TRP N . 7002 1 1280 . 2 2 30 30 TRP NE1 N 15 112.06 0.30 . 1 . . . . 1368 TRP NE1 . 7002 1 1281 . 2 2 31 31 ASP H H 1 7.11 0.03 . 1 . . . . 1369 ASP H . 7002 1 1282 . 2 2 31 31 ASP HA H 1 4.80 0.03 . 1 . . . . 1369 ASP HA . 7002 1 1283 . 2 2 31 31 ASP HB2 H 1 2.59 0.03 . 2 . . . . 1369 ASP HB2 . 7002 1 1284 . 2 2 31 31 ASP HB3 H 1 3.04 0.03 . 2 . . . . 1369 ASP HB3 . 7002 1 1285 . 2 2 31 31 ASP C C 13 175.82 0.20 . 1 . . . . 1369 ASP C . 7002 1 1286 . 2 2 31 31 ASP CA C 13 52.90 0.20 . 1 . . . . 1369 ASP CA . 7002 1 1287 . 2 2 31 31 ASP CB C 13 42.27 0.20 . 1 . . . . 1369 ASP CB . 7002 1 1288 . 2 2 31 31 ASP N N 15 118.05 0.30 . 1 . . . . 1369 ASP N . 7002 1 1289 . 2 2 32 32 LEU H H 1 8.72 0.03 . 1 . . . . 1370 LEU H . 7002 1 1290 . 2 2 32 32 LEU HA H 1 3.84 0.03 . 1 . . . . 1370 LEU HA . 7002 1 1291 . 2 2 32 32 LEU HB2 H 1 1.68 0.03 . 2 . . . . 1370 LEU HB2 . 7002 1 1292 . 2 2 32 32 LEU HB3 H 1 1.78 0.03 . 2 . . . . 1370 LEU HB3 . 7002 1 1293 . 2 2 32 32 LEU HG H 1 1.59 0.03 . 1 . . . . 1370 LEU HG . 7002 1 1294 . 2 2 32 32 LEU HD11 H 1 0.97 0.03 . 2 . . . . 1370 LEU HD1 . 7002 1 1295 . 2 2 32 32 LEU HD12 H 1 0.97 0.03 . 2 . . . . 1370 LEU HD1 . 7002 1 1296 . 2 2 32 32 LEU HD13 H 1 0.97 0.03 . 2 . . . . 1370 LEU HD1 . 7002 1 1297 . 2 2 32 32 LEU HD21 H 1 0.97 0.03 . 2 . . . . 1370 LEU HD2 . 7002 1 1298 . 2 2 32 32 LEU HD22 H 1 0.97 0.03 . 2 . . . . 1370 LEU HD2 . 7002 1 1299 . 2 2 32 32 LEU HD23 H 1 0.97 0.03 . 2 . . . . 1370 LEU HD2 . 7002 1 1300 . 2 2 32 32 LEU C C 13 179.10 0.20 . 1 . . . . 1370 LEU C . 7002 1 1301 . 2 2 32 32 LEU CA C 13 58.83 0.20 . 1 . . . . 1370 LEU CA . 7002 1 1302 . 2 2 32 32 LEU CB C 13 42.52 0.20 . 1 . . . . 1370 LEU CB . 7002 1 1303 . 2 2 32 32 LEU CG C 13 27.98 0.20 . 1 . . . . 1370 LEU CG . 7002 1 1304 . 2 2 32 32 LEU CD1 C 13 26.02 0.20 . 2 . . . . 1370 LEU CD1 . 7002 1 1305 . 2 2 32 32 LEU CD2 C 13 24.70 0.20 . 2 . . . . 1370 LEU CD2 . 7002 1 1306 . 2 2 32 32 LEU N N 15 127.13 0.30 . 1 . . . . 1370 LEU N . 7002 1 1307 . 2 2 33 33 GLU H H 1 8.51 0.03 . 1 . . . . 1371 GLU H . 7002 1 1308 . 2 2 33 33 GLU HA H 1 3.88 0.03 . 1 . . . . 1371 GLU HA . 7002 1 1309 . 2 2 33 33 GLU HB3 H 1 2.16 0.03 . 2 . . . . 1371 GLU HB3 . 7002 1 1310 . 2 2 33 33 GLU HG2 H 1 2.26 0.03 . 2 . . . . 1371 GLU HG2 . 7002 1 1311 . 2 2 33 33 GLU HG3 H 1 2.43 0.03 . 2 . . . . 1371 GLU HG3 . 7002 1 1312 . 2 2 33 33 GLU C C 13 178.84 0.20 . 1 . . . . 1371 GLU C . 7002 1 1313 . 2 2 33 33 GLU CA C 13 60.45 0.20 . 1 . . . . 1371 GLU CA . 7002 1 1314 . 2 2 33 33 GLU CB C 13 29.43 0.20 . 1 . . . . 1371 GLU CB . 7002 1 1315 . 2 2 33 33 GLU CG C 13 36.90 0.20 . 1 . . . . 1371 GLU CG . 7002 1 1316 . 2 2 33 33 GLU N N 15 121.38 0.30 . 1 . . . . 1371 GLU N . 7002 1 1317 . 2 2 34 34 ALA H H 1 8.48 0.03 . 1 . . . . 1372 ALA H . 7002 1 1318 . 2 2 34 34 ALA HA H 1 4.17 0.03 . 1 . . . . 1372 ALA HA . 7002 1 1319 . 2 2 34 34 ALA HB1 H 1 1.52 0.03 . 1 . . . . 1372 ALA HB . 7002 1 1320 . 2 2 34 34 ALA HB2 H 1 1.52 0.03 . 1 . . . . 1372 ALA HB . 7002 1 1321 . 2 2 34 34 ALA HB3 H 1 1.52 0.03 . 1 . . . . 1372 ALA HB . 7002 1 1322 . 2 2 34 34 ALA C C 13 180.78 0.20 . 1 . . . . 1372 ALA C . 7002 1 1323 . 2 2 34 34 ALA CA C 13 55.13 0.20 . 1 . . . . 1372 ALA CA . 7002 1 1324 . 2 2 34 34 ALA CB C 13 17.91 0.20 . 1 . . . . 1372 ALA CB . 7002 1 1325 . 2 2 34 34 ALA N N 15 122.49 0.30 . 1 . . . . 1372 ALA N . 7002 1 1326 . 2 2 35 35 ALA H H 1 8.82 0.03 . 1 . . . . 1373 ALA H . 7002 1 1327 . 2 2 35 35 ALA HA H 1 4.18 0.03 . 1 . . . . 1373 ALA HA . 7002 1 1328 . 2 2 35 35 ALA HB1 H 1 1.06 0.03 . 1 . . . . 1373 ALA HB . 7002 1 1329 . 2 2 35 35 ALA HB2 H 1 1.06 0.03 . 1 . . . . 1373 ALA HB . 7002 1 1330 . 2 2 35 35 ALA HB3 H 1 1.06 0.03 . 1 . . . . 1373 ALA HB . 7002 1 1331 . 2 2 35 35 ALA C C 13 178.53 0.20 . 1 . . . . 1373 ALA C . 7002 1 1332 . 2 2 35 35 ALA CA C 13 54.98 0.20 . 1 . . . . 1373 ALA CA . 7002 1 1333 . 2 2 35 35 ALA CB C 13 18.89 0.20 . 1 . . . . 1373 ALA CB . 7002 1 1334 . 2 2 35 35 ALA N N 15 120.21 0.30 . 1 . . . . 1373 ALA N . 7002 1 1335 . 2 2 36 36 THR H H 1 8.09 0.03 . 1 . . . . 1374 THR H . 7002 1 1336 . 2 2 36 36 THR HA H 1 3.51 0.03 . 1 . . . . 1374 THR HA . 7002 1 1337 . 2 2 36 36 THR HB H 1 4.17 0.03 . 1 . . . . 1374 THR HB . 7002 1 1338 . 2 2 36 36 THR HG1 H 1 4.37 0.03 . 1 . . . . 1374 THR HG1 . 7002 1 1339 . 2 2 36 36 THR HG21 H 1 1.12 0.03 . 1 . . . . 1374 THR HG2 . 7002 1 1340 . 2 2 36 36 THR HG22 H 1 1.12 0.03 . 1 . . . . 1374 THR HG2 . 7002 1 1341 . 2 2 36 36 THR HG23 H 1 1.12 0.03 . 1 . . . . 1374 THR HG2 . 7002 1 1342 . 2 2 36 36 THR C C 13 176.00 0.20 . 1 . . . . 1374 THR C . 7002 1 1343 . 2 2 36 36 THR CA C 13 67.83 0.20 . 1 . . . . 1374 THR CA . 7002 1 1344 . 2 2 36 36 THR CB C 13 67.83 0.20 . 1 . . . . 1374 THR CB . 7002 1 1345 . 2 2 36 36 THR CG2 C 13 22.18 0.20 . 1 . . . . 1374 THR CG2 . 7002 1 1346 . 2 2 36 36 THR N N 15 113.46 0.30 . 1 . . . . 1374 THR N . 7002 1 1347 . 2 2 37 37 ASN H H 1 7.67 0.03 . 1 . . . . 1375 ASN H . 7002 1 1348 . 2 2 37 37 ASN HA H 1 4.18 0.03 . 1 . . . . 1375 ASN HA . 7002 1 1349 . 2 2 37 37 ASN HB3 H 1 2.74 0.03 . 2 . . . . 1375 ASN HB3 . 7002 1 1350 . 2 2 37 37 ASN HD21 H 1 7.31 0.03 . 1 . . . . 1375 ASN HD21 . 7002 1 1351 . 2 2 37 37 ASN HD22 H 1 7.31 0.03 . 1 . . . . 1375 ASN HD22 . 7002 1 1352 . 2 2 37 37 ASN C C 13 176.25 0.20 . 1 . . . . 1375 ASN C . 7002 1 1353 . 2 2 37 37 ASN CA C 13 57.23 0.20 . 1 . . . . 1375 ASN CA . 7002 1 1354 . 2 2 37 37 ASN CB C 13 38.84 0.20 . 1 . . . . 1375 ASN CB . 7002 1 1355 . 2 2 37 37 ASN N N 15 117.53 0.30 . 1 . . . . 1375 ASN N . 7002 1 1356 . 2 2 37 37 ASN ND2 N 15 112.64 0.30 . 1 . . . . 1375 ASN ND2 . 7002 1 1357 . 2 2 38 38 PHE H H 1 8.30 0.03 . 1 . . . . 1376 PHE H . 7002 1 1358 . 2 2 38 38 PHE HA H 1 4.15 0.03 . 1 . . . . 1376 PHE HA . 7002 1 1359 . 2 2 38 38 PHE HB2 H 1 3.13 0.03 . 2 . . . . 1376 PHE HB2 . 7002 1 1360 . 2 2 38 38 PHE HB3 H 1 3.21 0.03 . 2 . . . . 1376 PHE HB3 . 7002 1 1361 . 2 2 38 38 PHE HD1 H 1 6.99 0.03 . 3 . . . . 1376 PHE HD1 . 7002 1 1362 . 2 2 38 38 PHE HE1 H 1 7.20 0.03 . 3 . . . . 1376 PHE HE1 . 7002 1 1363 . 2 2 38 38 PHE HZ H 1 7.20 0.03 . 1 . . . . 1376 PHE HZ . 7002 1 1364 . 2 2 38 38 PHE C C 13 178.38 0.20 . 1 . . . . 1376 PHE C . 7002 1 1365 . 2 2 38 38 PHE CA C 13 61.02 0.20 . 1 . . . . 1376 PHE CA . 7002 1 1366 . 2 2 38 38 PHE CB C 13 39.52 0.20 . 1 . . . . 1376 PHE CB . 7002 1 1367 . 2 2 38 38 PHE CD1 C 13 131.41 0.20 . 1 . . . . 1376 PHE CD1 . 7002 1 1368 . 2 2 38 38 PHE CE1 C 13 131.50 0.20 . 1 . . . . 1376 PHE CE1 . 7002 1 1369 . 2 2 38 38 PHE N N 15 119.05 0.30 . 1 . . . . 1376 PHE N . 7002 1 1370 . 2 2 39 39 LEU H H 1 7.85 0.03 . 1 . . . . 1377 LEU H . 7002 1 1371 . 2 2 39 39 LEU HA H 1 3.66 0.03 . 1 . . . . 1377 LEU HA . 7002 1 1372 . 2 2 39 39 LEU HB2 H 1 0.68 0.03 . 2 . . . . 1377 LEU HB2 . 7002 1 1373 . 2 2 39 39 LEU HB3 H 1 1.41 0.03 . 2 . . . . 1377 LEU HB3 . 7002 1 1374 . 2 2 39 39 LEU HG H 1 1.41 0.03 . 1 . . . . 1377 LEU HG . 7002 1 1375 . 2 2 39 39 LEU HD11 H 1 0.57 0.03 . 2 . . . . 1377 LEU HD1 . 7002 1 1376 . 2 2 39 39 LEU HD12 H 1 0.57 0.03 . 2 . . . . 1377 LEU HD1 . 7002 1 1377 . 2 2 39 39 LEU HD13 H 1 0.57 0.03 . 2 . . . . 1377 LEU HD1 . 7002 1 1378 . 2 2 39 39 LEU HD21 H 1 -0.08 0.03 . 2 . . . . 1377 LEU HD2 . 7002 1 1379 . 2 2 39 39 LEU HD22 H 1 -0.08 0.03 . 2 . . . . 1377 LEU HD2 . 7002 1 1380 . 2 2 39 39 LEU HD23 H 1 -0.08 0.03 . 2 . . . . 1377 LEU HD2 . 7002 1 1381 . 2 2 39 39 LEU C C 13 179.54 0.20 . 1 . . . . 1377 LEU C . 7002 1 1382 . 2 2 39 39 LEU CA C 13 57.35 0.20 . 1 . . . . 1377 LEU CA . 7002 1 1383 . 2 2 39 39 LEU CB C 13 41.34 0.20 . 1 . . . . 1377 LEU CB . 7002 1 1384 . 2 2 39 39 LEU CG C 13 26.57 0.20 . 1 . . . . 1377 LEU CG . 7002 1 1385 . 2 2 39 39 LEU CD1 C 13 22.79 0.20 . 2 . . . . 1377 LEU CD1 . 7002 1 1386 . 2 2 39 39 LEU CD2 C 13 24.86 0.20 . 2 . . . . 1377 LEU CD2 . 7002 1 1387 . 2 2 39 39 LEU N N 15 119.63 0.30 . 1 . . . . 1377 LEU N . 7002 1 1388 . 2 2 40 40 LEU H H 1 7.87 0.03 . 1 . . . . 1378 LEU H . 7002 1 1389 . 2 2 40 40 LEU HA H 1 4.18 0.03 . 1 . . . . 1378 LEU HA . 7002 1 1390 . 2 2 40 40 LEU HB2 H 1 1.44 0.03 . 2 . . . . 1378 LEU HB2 . 7002 1 1391 . 2 2 40 40 LEU HB3 H 1 1.83 0.03 . 2 . . . . 1378 LEU HB3 . 7002 1 1392 . 2 2 40 40 LEU HG H 1 1.95 0.03 . 1 . . . . 1378 LEU HG . 7002 1 1393 . 2 2 40 40 LEU HD11 H 1 0.91 0.03 . 2 . . . . 1378 LEU HD1 . 7002 1 1394 . 2 2 40 40 LEU HD12 H 1 0.91 0.03 . 2 . . . . 1378 LEU HD1 . 7002 1 1395 . 2 2 40 40 LEU HD13 H 1 0.91 0.03 . 2 . . . . 1378 LEU HD1 . 7002 1 1396 . 2 2 40 40 LEU HD21 H 1 0.77 0.03 . 2 . . . . 1378 LEU HD2 . 7002 1 1397 . 2 2 40 40 LEU HD22 H 1 0.77 0.03 . 2 . . . . 1378 LEU HD2 . 7002 1 1398 . 2 2 40 40 LEU HD23 H 1 0.77 0.03 . 2 . . . . 1378 LEU HD2 . 7002 1 1399 . 2 2 40 40 LEU C C 13 178.88 0.20 . 1 . . . . 1378 LEU C . 7002 1 1400 . 2 2 40 40 LEU CA C 13 56.79 0.20 . 1 . . . . 1378 LEU CA . 7002 1 1401 . 2 2 40 40 LEU CB C 13 41.48 0.20 . 1 . . . . 1378 LEU CB . 7002 1 1402 . 2 2 40 40 LEU CG C 13 26.38 0.20 . 1 . . . . 1378 LEU CG . 7002 1 1403 . 2 2 40 40 LEU CD1 C 13 22.32 0.20 . 2 . . . . 1378 LEU CD1 . 7002 1 1404 . 2 2 40 40 LEU CD2 C 13 25.59 0.20 . 2 . . . . 1378 LEU CD2 . 7002 1 1405 . 2 2 40 40 LEU N N 15 117.00 0.30 . 1 . . . . 1378 LEU N . 7002 1 1406 . 2 2 41 41 ASP H H 1 8.07 0.03 . 1 . . . . 1379 ASP H . 7002 1 1407 . 2 2 41 41 ASP HA H 1 4.58 0.03 . 1 . . . . 1379 ASP HA . 7002 1 1408 . 2 2 41 41 ASP HB2 H 1 2.61 0.03 . 2 . . . . 1379 ASP HB2 . 7002 1 1409 . 2 2 41 41 ASP HB3 H 1 2.69 0.03 . 2 . . . . 1379 ASP HB3 . 7002 1 1410 . 2 2 41 41 ASP C C 13 176.76 0.20 . 1 . . . . 1379 ASP C . 7002 1 1411 . 2 2 41 41 ASP CA C 13 55.40 0.20 . 1 . . . . 1379 ASP CA . 7002 1 1412 . 2 2 41 41 ASP CB C 13 40.54 0.20 . 1 . . . . 1379 ASP CB . 7002 1 1413 . 2 2 41 41 ASP N N 15 117.51 0.30 . 1 . . . . 1379 ASP N . 7002 1 1414 . 2 2 42 42 SER H H 1 7.53 0.03 . 1 . . . . 1380 SER H . 7002 1 1415 . 2 2 42 42 SER HA H 1 4.30 0.03 . 1 . . . . 1380 SER HA . 7002 1 1416 . 2 2 42 42 SER HB2 H 1 3.63 0.03 . 2 . . . . 1380 SER HB2 . 7002 1 1417 . 2 2 42 42 SER HB3 H 1 3.69 0.03 . 2 . . . . 1380 SER HB3 . 7002 1 1418 . 2 2 42 42 SER C C 13 173.10 0.20 . 1 . . . . 1380 SER C . 7002 1 1419 . 2 2 42 42 SER CA C 13 58.47 0.20 . 1 . . . . 1380 SER CA . 7002 1 1420 . 2 2 42 42 SER CB C 13 63.76 0.20 . 1 . . . . 1380 SER CB . 7002 1 1421 . 2 2 42 42 SER N N 15 113.35 0.30 . 1 . . . . 1380 SER N . 7002 1 1422 . 2 2 43 43 ALA H H 1 7.42 0.03 . 1 . . . . 1381 ALA H . 7002 1 1423 . 2 2 43 43 ALA HA H 1 4.11 0.03 . 1 . . . . 1381 ALA HA . 7002 1 1424 . 2 2 43 43 ALA HB1 H 1 1.40 0.03 . 1 . . . . 1381 ALA HB . 7002 1 1425 . 2 2 43 43 ALA HB2 H 1 1.40 0.03 . 1 . . . . 1381 ALA HB . 7002 1 1426 . 2 2 43 43 ALA HB3 H 1 1.40 0.03 . 1 . . . . 1381 ALA HB . 7002 1 1427 . 2 2 43 43 ALA CA C 13 53.98 0.20 . 1 . . . . 1381 ALA CA . 7002 1 1428 . 2 2 43 43 ALA CB C 13 19.96 0.20 . 1 . . . . 1381 ALA CB . 7002 1 1429 . 2 2 43 43 ALA N N 15 129.53 0.30 . 1 . . . . 1381 ALA N . 7002 1 stop_ save_