data_18101 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18101 _Entry.Title ; 1H,15N and 13C backbone and side chain chemical shifts of Human Halo S100A1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-11-23 _Entry.Accession_date 2011-11-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Human S100A1 Ca2+ bound form' _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 Arun Gupta . A. . 18101 2 Chin Yu . . . 18101 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18101 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 371 18101 '15N chemical shifts' 90 18101 '1H chemical shifts' 575 18101 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 2 . . 2013-02-14 2011-11-23 update BMRB 'update entry citation' 18101 1 . . 2012-02-10 2011-11-23 original author 'original release' 18101 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18101 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22311340 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N backbone and side chain resonance assignments of human halo S100A1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 6 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 213 _Citation.Page_last 215 _Citation.Year 2012 _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 Arun Gupta . A. . 18101 1 2 Sepuru Mohan . K. . 18101 1 3 Yu Chin . . . 18101 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Assignment 18101 1 'Calcium binding protein' 18101 1 'Human Halo S100A1' 18101 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18101 _Assembly.ID 1 _Assembly.Name S100A1 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 10545.8 _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 S100A1 1 $S100A1 A . yes native no no . . . 18101 1 2 'Calcium ion' 2 $CA A . no native no no . . . 18101 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_S100A1 _Entity.Sf_category entity _Entity.Sf_framecode S100A1 _Entity.Entry_ID 18101 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name S100A1 _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 ; MGSELETAMETLINVFHAHS GKEGDKYKLSKKELKELLQT ELSGFLDAQKDVDAVDKVMK ELDENGDGEVDFQEYVVLVA ALTVACNNFFWENS ; _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 94 _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 10545.8 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16360 . S100A1(aa)_monomer . . . . . 100.00 94 100.00 100.00 2.00e-59 . . . . 18101 1 2 no BMRB 17857 . S100A1E32Q_calcium_binding_protein . . . . . 98.94 93 98.92 100.00 3.93e-58 . . . . 18101 1 3 no BMRB 18087 . S100A1C85M . . . . . 98.94 93 98.92 98.92 3.40e-57 . . . . 18101 1 4 no BMRB 18088 . "S100A1 with post-translational S-nitrosylation, strand 1" . . . . . 98.94 93 98.92 98.92 5.56e-57 . . . . 18101 1 5 no BMRB 18089 . "S100A1 without Post-translational S-nitrosylation, stand 1" . . . . . 98.94 93 100.00 100.00 1.72e-58 . . . . 18101 1 6 no BMRB 18230 . S100A1_monomer_1 . . . . . 98.94 93 100.00 100.00 1.72e-58 . . . . 18101 1 7 no BMRB 18231 . S100A1_Ca2+ . . . . . 98.94 93 100.00 100.00 1.72e-58 . . . . 18101 1 8 no BMRB 18545 . S100A1C85M . . . . . 98.94 93 98.92 98.92 3.40e-57 . . . . 18101 1 9 no PDB 2JPT . "Structural Changes Induced In Apo-s100a1 Protein By The Disulphide Formation Between Its Cys85 Residue And B- Mercaptoethanol" . . . . . 98.94 93 97.85 98.92 4.72e-57 . . . . 18101 1 10 no PDB 2L0P . "Solution Structure Of Human Apo-S100a1 Protein By Nmr Spectroscopy" . . . . . 100.00 94 100.00 100.00 2.00e-59 . . . . 18101 1 11 no PDB 2LHL . "Chemical Shift Assignments And Solution Structure Of Human Apo-S100a1 E32q Mutant" . . . . . 98.94 93 98.92 100.00 3.93e-58 . . . . 18101 1 12 no PDB 2LLS . "Solution Structure Of Human Apo-S100a1 C85m" . . . . . 98.94 93 98.92 98.92 3.40e-57 . . . . 18101 1 13 no PDB 2LLT . "Post-Translational S-Nitrosylation Is An Endogenous Factor Fine-Tuning Human S100a1 Protein Properties" . . . . . 98.94 93 98.92 98.92 5.56e-57 . . . . 18101 1 14 no PDB 2LLU . "Post-Translational S-Nitrosylation Is An Endogenous Factor Fine-Tuning Human S100a1 Protein Properties" . . . . . 98.94 93 100.00 100.00 1.72e-58 . . . . 18101 1 15 no PDB 2LP2 . "Solution Structure And Dynamics Of Human S100a1 Protein Modified At Cysteine 85 With Homocysteine Disulfide Bond Formation In C" . . . . . 98.94 93 100.00 100.00 1.72e-58 . . . . 18101 1 16 no PDB 2LP3 . "Solution Structure Of S100a1 Ca2+" . . . . . 98.94 93 100.00 100.00 1.72e-58 . . . . 18101 1 17 no PDB 2LUX . "Calcium Saturated Form Of Human C85m S100a1 Mutant" . . . . . 98.94 93 98.92 98.92 3.40e-57 . . . . 18101 1 18 no PDB 2M3W . "Protein Structure Determination From A Set Of 4d Noesy" . . . . . 98.94 93 98.92 100.00 3.93e-58 . . . . 18101 1 19 no DBJ BAE90380 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 94 100.00 100.00 2.00e-59 . . . . 18101 1 20 no DBJ BAG35086 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 94 100.00 100.00 2.00e-59 . . . . 18101 1 21 no DBJ BAG70130 . "S100 calcium binding protein A1 [Homo sapiens]" . . . . . 100.00 94 100.00 100.00 2.00e-59 . . . . 18101 1 22 no DBJ BAG70260 . "S100 calcium binding protein A1 [Homo sapiens]" . . . . . 100.00 94 100.00 100.00 2.00e-59 . . . . 18101 1 23 no EMBL CAA41107 . "S100 alpha protein [Homo sapiens]" . . . . . 100.00 94 100.00 100.00 2.00e-59 . . . . 18101 1 24 no EMBL CAH90674 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 94 100.00 100.00 2.00e-59 . . . . 18101 1 25 no GB AAH14392 . "S100 calcium binding protein A1 [Homo sapiens]" . . . . . 100.00 94 100.00 100.00 2.00e-59 . . . . 18101 1 26 no GB AAI41992 . "S100A1 protein [Bos taurus]" . . . . . 100.00 94 98.94 98.94 8.91e-59 . . . . 18101 1 27 no GB AAI48020 . "S100A1 protein [Bos taurus]" . . . . . 100.00 94 98.94 98.94 8.91e-59 . . . . 18101 1 28 no GB AAP35584 . "S100 calcium binding protein A1 [Homo sapiens]" . . . . . 100.00 94 100.00 100.00 2.00e-59 . . . . 18101 1 29 no GB AAP36328 . "Homo sapiens S100 calcium binding protein A1 [synthetic construct]" . . . . . 100.00 95 100.00 100.00 1.77e-59 . . . . 18101 1 30 no PRF 2003367A . "S-100 protein:SUBUNIT=alpha" . . . . . 100.00 94 100.00 100.00 2.00e-59 . . . . 18101 1 31 no REF NP_001092512 . "protein S100-A1 [Bos taurus]" . . . . . 100.00 94 98.94 98.94 8.91e-59 . . . . 18101 1 32 no REF NP_001127319 . "protein S100-A1 [Pongo abelii]" . . . . . 100.00 94 100.00 100.00 2.00e-59 . . . . 18101 1 33 no REF NP_001270255 . "uncharacterized protein LOC101926181 [Macaca fascicularis]" . . . . . 100.00 94 100.00 100.00 2.00e-59 . . . . 18101 1 34 no REF NP_006262 . "protein S100-A1 [Homo sapiens]" . . . . . 100.00 94 100.00 100.00 2.00e-59 . . . . 18101 1 35 no REF XP_001111015 . "PREDICTED: protein S100-A1 isoform 1 [Macaca mulatta]" . . . . . 100.00 94 100.00 100.00 2.00e-59 . . . . 18101 1 36 no SP P02639 . "RecName: Full=Protein S100-A1; AltName: Full=S-100 protein alpha chain; AltName: Full=S-100 protein subunit alpha; AltName: Ful" . . . . . 100.00 94 98.94 98.94 8.91e-59 . . . . 18101 1 37 no SP P23297 . "RecName: Full=Protein S100-A1; AltName: Full=S-100 protein alpha chain; AltName: Full=S-100 protein subunit alpha; AltName: Ful" . . . . . 100.00 94 100.00 100.00 2.00e-59 . . . . 18101 1 38 no SP Q5RC36 . "RecName: Full=Protein S100-A1; AltName: Full=S-100 protein alpha chain; AltName: Full=S-100 protein subunit alpha; AltName: Ful" . . . . . 100.00 94 100.00 100.00 2.00e-59 . . . . 18101 1 39 no TPG DAA31796 . "TPA: S100 calcium binding protein A1 [Bos taurus]" . . . . . 100.00 94 98.94 98.94 8.91e-59 . . . . 18101 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 . 18101 1 2 . GLY . 18101 1 3 . SER . 18101 1 4 . GLU . 18101 1 5 . LEU . 18101 1 6 . GLU . 18101 1 7 . THR . 18101 1 8 . ALA . 18101 1 9 . MET . 18101 1 10 . GLU . 18101 1 11 . THR . 18101 1 12 . LEU . 18101 1 13 . ILE . 18101 1 14 . ASN . 18101 1 15 . VAL . 18101 1 16 . PHE . 18101 1 17 . HIS . 18101 1 18 . ALA . 18101 1 19 . HIS . 18101 1 20 . SER . 18101 1 21 . GLY . 18101 1 22 . LYS . 18101 1 23 . GLU . 18101 1 24 . GLY . 18101 1 25 . ASP . 18101 1 26 . LYS . 18101 1 27 . TYR . 18101 1 28 . LYS . 18101 1 29 . LEU . 18101 1 30 . SER . 18101 1 31 . LYS . 18101 1 32 . LYS . 18101 1 33 . GLU . 18101 1 34 . LEU . 18101 1 35 . LYS . 18101 1 36 . GLU . 18101 1 37 . LEU . 18101 1 38 . LEU . 18101 1 39 . GLN . 18101 1 40 . THR . 18101 1 41 . GLU . 18101 1 42 . LEU . 18101 1 43 . SER . 18101 1 44 . GLY . 18101 1 45 . PHE . 18101 1 46 . LEU . 18101 1 47 . ASP . 18101 1 48 . ALA . 18101 1 49 . GLN . 18101 1 50 . LYS . 18101 1 51 . ASP . 18101 1 52 . VAL . 18101 1 53 . ASP . 18101 1 54 . ALA . 18101 1 55 . VAL . 18101 1 56 . ASP . 18101 1 57 . LYS . 18101 1 58 . VAL . 18101 1 59 . MET . 18101 1 60 . LYS . 18101 1 61 . GLU . 18101 1 62 . LEU . 18101 1 63 . ASP . 18101 1 64 . GLU . 18101 1 65 . ASN . 18101 1 66 . GLY . 18101 1 67 . ASP . 18101 1 68 . GLY . 18101 1 69 . GLU . 18101 1 70 . VAL . 18101 1 71 . ASP . 18101 1 72 . PHE . 18101 1 73 . GLN . 18101 1 74 . GLU . 18101 1 75 . TYR . 18101 1 76 . VAL . 18101 1 77 . VAL . 18101 1 78 . LEU . 18101 1 79 . VAL . 18101 1 80 . ALA . 18101 1 81 . ALA . 18101 1 82 . LEU . 18101 1 83 . THR . 18101 1 84 . VAL . 18101 1 85 . ALA . 18101 1 86 . CYS . 18101 1 87 . ASN . 18101 1 88 . ASN . 18101 1 89 . PHE . 18101 1 90 . PHE . 18101 1 91 . TRP . 18101 1 92 . GLU . 18101 1 93 . ASN . 18101 1 94 . SER . 18101 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 18101 1 . GLY 2 2 18101 1 . SER 3 3 18101 1 . GLU 4 4 18101 1 . LEU 5 5 18101 1 . GLU 6 6 18101 1 . THR 7 7 18101 1 . ALA 8 8 18101 1 . MET 9 9 18101 1 . GLU 10 10 18101 1 . THR 11 11 18101 1 . LEU 12 12 18101 1 . ILE 13 13 18101 1 . ASN 14 14 18101 1 . VAL 15 15 18101 1 . PHE 16 16 18101 1 . HIS 17 17 18101 1 . ALA 18 18 18101 1 . HIS 19 19 18101 1 . SER 20 20 18101 1 . GLY 21 21 18101 1 . LYS 22 22 18101 1 . GLU 23 23 18101 1 . GLY 24 24 18101 1 . ASP 25 25 18101 1 . LYS 26 26 18101 1 . TYR 27 27 18101 1 . LYS 28 28 18101 1 . LEU 29 29 18101 1 . SER 30 30 18101 1 . LYS 31 31 18101 1 . LYS 32 32 18101 1 . GLU 33 33 18101 1 . LEU 34 34 18101 1 . LYS 35 35 18101 1 . GLU 36 36 18101 1 . LEU 37 37 18101 1 . LEU 38 38 18101 1 . GLN 39 39 18101 1 . THR 40 40 18101 1 . GLU 41 41 18101 1 . LEU 42 42 18101 1 . SER 43 43 18101 1 . GLY 44 44 18101 1 . PHE 45 45 18101 1 . LEU 46 46 18101 1 . ASP 47 47 18101 1 . ALA 48 48 18101 1 . GLN 49 49 18101 1 . LYS 50 50 18101 1 . ASP 51 51 18101 1 . VAL 52 52 18101 1 . ASP 53 53 18101 1 . ALA 54 54 18101 1 . VAL 55 55 18101 1 . ASP 56 56 18101 1 . LYS 57 57 18101 1 . VAL 58 58 18101 1 . MET 59 59 18101 1 . LYS 60 60 18101 1 . GLU 61 61 18101 1 . LEU 62 62 18101 1 . ASP 63 63 18101 1 . GLU 64 64 18101 1 . ASN 65 65 18101 1 . GLY 66 66 18101 1 . ASP 67 67 18101 1 . GLY 68 68 18101 1 . GLU 69 69 18101 1 . VAL 70 70 18101 1 . ASP 71 71 18101 1 . PHE 72 72 18101 1 . GLN 73 73 18101 1 . GLU 74 74 18101 1 . TYR 75 75 18101 1 . VAL 76 76 18101 1 . VAL 77 77 18101 1 . LEU 78 78 18101 1 . VAL 79 79 18101 1 . ALA 80 80 18101 1 . ALA 81 81 18101 1 . LEU 82 82 18101 1 . THR 83 83 18101 1 . VAL 84 84 18101 1 . ALA 85 85 18101 1 . CYS 86 86 18101 1 . ASN 87 87 18101 1 . ASN 88 88 18101 1 . PHE 89 89 18101 1 . PHE 90 90 18101 1 . TRP 91 91 18101 1 . GLU 92 92 18101 1 . ASN 93 93 18101 1 . SER 94 94 18101 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 18101 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 . CA . 18101 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 18101 _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 $S100A1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18101 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 18101 _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 $S100A1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pET(20b)+ . . . . . . 18101 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 18101 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Nov 23 11:01:46 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 18101 CA [Ca++] SMILES CACTVS 3.341 18101 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 18101 CA [Ca+2] SMILES ACDLabs 10.04 18101 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 18101 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18101 CA InChI=1S/Ca/q+2 InChI InChI 1.03 18101 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 18101 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18101 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18101 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18101 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 S100A1 '[U-100% 13C; U-100% 15N]' . . 1 $S100A1 . . 1.5 . . mM . . . . 18101 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18101 1 3 'sodium chloride' 'natural abundance' . . . . . . 15 . . mM . . . . 18101 1 4 'Calcium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 18101 1 5 DTT 'natural abundance' . . . . . . 20 . . mM . . . . 18101 1 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 18101 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18101 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.015 . M 18101 1 pH 7.2 . pH 18101 1 pressure 1 . atm 18101 1 temperature 298 . K 18101 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 18101 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18101 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18101 1 processing 18101 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18101 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18101 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18101 2 'data analysis' 18101 2 'peak picking' 18101 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18101 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18101 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 700 . . . 18101 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18101 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18101 1 2 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18101 1 3 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18101 1 4 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18101 1 5 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18101 1 6 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18101 1 7 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18101 1 8 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18101 1 9 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18101 1 10 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18101 1 11 '3D HCACO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18101 1 12 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18101 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18101 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18101 _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 TSP 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18101 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . . . . . 18101 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18101 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18101 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18101 1 2 '2D 1H-13C HSQC' . . . 18101 1 3 '3D HNCA' . . . 18101 1 4 '3D HN(CO)CA' . . . 18101 1 5 '3D HNCO' . . . 18101 1 6 '3D HNCACB' . . . 18101 1 7 '3D CBCA(CO)NH' . . . 18101 1 9 '3D H(CCO)NH' . . . 18101 1 10 '3D HCCH-TOCSY' . . . 18101 1 11 '3D HCACO' . . . 18101 1 12 '3D C(CO)NH' . . . 18101 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 H H 1 8.533 0.02 . 1 . . . . 1 MET H . 18101 1 2 . 1 1 1 1 MET C C 13 177.175 0.20 . 1 . . . . 1 MET C . 18101 1 3 . 1 1 1 1 MET CA C 13 54.237 0.200 . 1 . . . . 1 MET CA . 18101 1 4 . 1 1 1 1 MET CB C 13 33.497 0.200 . 1 . . . . 1 MET CB . 18101 1 5 . 1 1 1 1 MET N N 15 128.801 0.20 . 1 . . . . 1 MET N . 18101 1 6 . 1 1 2 2 GLY HA2 H 1 3.970 0.020 . 2 . . . . 2 GLY HA2 . 18101 1 7 . 1 1 2 2 GLY HA3 H 1 4.180 0.020 . 2 . . . . 2 GLY HA3 . 18101 1 8 . 1 1 2 2 GLY C C 13 174.797 0.20 . 1 . . . . 2 GLY C . 18101 1 9 . 1 1 2 2 GLY CA C 13 45.300 0.200 . 1 . . . . 2 GLY CA . 18101 1 10 . 1 1 3 3 SER H H 1 8.898 0.02 . 1 . . . . 3 SER H . 18101 1 11 . 1 1 3 3 SER HA H 1 4.740 0.020 . 1 . . . . 3 SER HA . 18101 1 12 . 1 1 3 3 SER HB2 H 1 4.010 0.020 . 2 . . . . 3 SER HB2 . 18101 1 13 . 1 1 3 3 SER HB3 H 1 4.060 0.020 . 2 . . . . 3 SER HB3 . 18101 1 14 . 1 1 3 3 SER C C 13 176.309 0.20 . 1 . . . . 3 SER C . 18101 1 15 . 1 1 3 3 SER CA C 13 57.800 0.200 . 1 . . . . 3 SER CA . 18101 1 16 . 1 1 3 3 SER CB C 13 65.400 0.200 . 1 . . . . 3 SER CB . 18101 1 17 . 1 1 3 3 SER N N 15 118.094 0.20 . 1 . . . . 3 SER N . 18101 1 18 . 1 1 4 4 GLU H H 1 9.482 0.02 . 1 . . . . 4 GLU H . 18101 1 19 . 1 1 4 4 GLU HA H 1 4.140 0.020 . 1 . . . . 4 GLU HA . 18101 1 20 . 1 1 4 4 GLU HB2 H 1 2.170 0.020 . 2 . . . . 4 GLU HB2 . 18101 1 21 . 1 1 4 4 GLU HB3 H 1 2.020 0.020 . 2 . . . . 4 GLU HB3 . 18101 1 22 . 1 1 4 4 GLU HG2 H 1 2.400 0.020 . 2 . . . . 4 GLU HG2 . 18101 1 23 . 1 1 4 4 GLU HG3 H 1 2.400 0.020 . 2 . . . . 4 GLU HG3 . 18101 1 24 . 1 1 4 4 GLU C C 13 180.546 0.20 . 1 . . . . 4 GLU C . 18101 1 25 . 1 1 4 4 GLU CA C 13 60.700 0.200 . 1 . . . . 4 GLU CA . 18101 1 26 . 1 1 4 4 GLU CB C 13 29.700 0.200 . 1 . . . . 4 GLU CB . 18101 1 27 . 1 1 4 4 GLU CG C 13 37.500 0.200 . 1 . . . . 4 GLU CG . 18101 1 28 . 1 1 4 4 GLU N N 15 124.047 0.20 . 1 . . . . 4 GLU N . 18101 1 29 . 1 1 5 5 LEU H H 1 8.917 0.02 . 1 . . . . 5 LEU H . 18101 1 30 . 1 1 5 5 LEU HA H 1 4.100 0.020 . 1 . . . . 5 LEU HA . 18101 1 31 . 1 1 5 5 LEU HB2 H 1 1.750 0.020 . 2 . . . . 5 LEU HB2 . 18101 1 32 . 1 1 5 5 LEU HB3 H 1 1.770 0.020 . 2 . . . . 5 LEU HB3 . 18101 1 33 . 1 1 5 5 LEU HG H 1 0.940 0.020 . 1 . . . . 5 LEU HG . 18101 1 34 . 1 1 5 5 LEU HD11 H 1 0.820 0.020 . 2 . . . . 5 LEU HD1 . 18101 1 35 . 1 1 5 5 LEU HD12 H 1 0.820 0.020 . 2 . . . . 5 LEU HD1 . 18101 1 36 . 1 1 5 5 LEU HD13 H 1 0.820 0.020 . 2 . . . . 5 LEU HD1 . 18101 1 37 . 1 1 5 5 LEU HD21 H 1 0.970 0.020 . 2 . . . . 5 LEU HD2 . 18101 1 38 . 1 1 5 5 LEU HD22 H 1 0.970 0.020 . 2 . . . . 5 LEU HD2 . 18101 1 39 . 1 1 5 5 LEU HD23 H 1 0.970 0.020 . 2 . . . . 5 LEU HD2 . 18101 1 40 . 1 1 5 5 LEU C C 13 179.514 0.20 . 1 . . . . 5 LEU C . 18101 1 41 . 1 1 5 5 LEU CA C 13 58.400 0.200 . 1 . . . . 5 LEU CA . 18101 1 42 . 1 1 5 5 LEU CB C 13 42.900 0.200 . 1 . . . . 5 LEU CB . 18101 1 43 . 1 1 5 5 LEU CG C 13 24.700 0.200 . 1 . . . . 5 LEU CG . 18101 1 44 . 1 1 5 5 LEU CD1 C 13 25.000 0.200 . 2 . . . . 5 LEU CD1 . 18101 1 45 . 1 1 5 5 LEU CD2 C 13 24.700 0.200 . 2 . . . . 5 LEU CD2 . 18101 1 46 . 1 1 5 5 LEU N N 15 120.419 0.20 . 1 . . . . 5 LEU N . 18101 1 47 . 1 1 6 6 GLU H H 1 8.369 0.02 . 1 . . . . 6 GLU H . 18101 1 48 . 1 1 6 6 GLU HA H 1 4.010 0.020 . 1 . . . . 6 GLU HA . 18101 1 49 . 1 1 6 6 GLU HB2 H 1 2.300 0.020 . 2 . . . . 6 GLU HB2 . 18101 1 50 . 1 1 6 6 GLU HB3 H 1 2.170 0.020 . 2 . . . . 6 GLU HB3 . 18101 1 51 . 1 1 6 6 GLU HG2 H 1 2.270 0.020 . 2 . . . . 6 GLU HG2 . 18101 1 52 . 1 1 6 6 GLU HG3 H 1 2.390 0.020 . 2 . . . . 6 GLU HG3 . 18101 1 53 . 1 1 6 6 GLU C C 13 180.551 0.20 . 1 . . . . 6 GLU C . 18101 1 54 . 1 1 6 6 GLU CA C 13 60.300 0.200 . 1 . . . . 6 GLU CA . 18101 1 55 . 1 1 6 6 GLU CB C 13 29.600 0.200 . 1 . . . . 6 GLU CB . 18101 1 56 . 1 1 6 6 GLU CG C 13 36.200 0.200 . 1 . . . . 6 GLU CG . 18101 1 57 . 1 1 6 6 GLU N N 15 119.390 0.20 . 1 . . . . 6 GLU N . 18101 1 58 . 1 1 7 7 THR H H 1 8.360 0.02 . 1 . . . . 7 THR H . 18101 1 59 . 1 1 7 7 THR HA H 1 4.030 0.020 . 1 . . . . 7 THR HA . 18101 1 60 . 1 1 7 7 THR HB H 1 4.410 0.020 . 1 . . . . 7 THR HB . 18101 1 61 . 1 1 7 7 THR HG21 H 1 1.290 0.020 . 1 . . . . 7 THR HG2 . 18101 1 62 . 1 1 7 7 THR HG22 H 1 1.290 0.020 . 1 . . . . 7 THR HG2 . 18101 1 63 . 1 1 7 7 THR HG23 H 1 1.290 0.020 . 1 . . . . 7 THR HG2 . 18101 1 64 . 1 1 7 7 THR C C 13 177.350 0.20 . 1 . . . . 7 THR C . 18101 1 65 . 1 1 7 7 THR CA C 13 66.800 0.200 . 1 . . . . 7 THR CA . 18101 1 66 . 1 1 7 7 THR CB C 13 69.000 0.200 . 1 . . . . 7 THR CB . 18101 1 67 . 1 1 7 7 THR CG2 C 13 21.800 0.200 . 1 . . . . 7 THR CG2 . 18101 1 68 . 1 1 7 7 THR N N 15 117.173 0.20 . 1 . . . . 7 THR N . 18101 1 69 . 1 1 8 8 ALA H H 1 8.158 0.02 . 1 . . . . 8 ALA H . 18101 1 70 . 1 1 8 8 ALA HA H 1 4.220 0.020 . 1 . . . . 8 ALA HA . 18101 1 71 . 1 1 8 8 ALA HB1 H 1 1.620 0.020 . 1 . . . . 8 ALA HB . 18101 1 72 . 1 1 8 8 ALA HB2 H 1 1.620 0.020 . 1 . . . . 8 ALA HB . 18101 1 73 . 1 1 8 8 ALA HB3 H 1 1.620 0.020 . 1 . . . . 8 ALA HB . 18101 1 74 . 1 1 8 8 ALA CA C 13 56.000 0.200 . 1 . . . . 8 ALA CA . 18101 1 75 . 1 1 8 8 ALA CB C 13 18.200 0.200 . 1 . . . . 8 ALA CB . 18101 1 76 . 1 1 8 8 ALA N N 15 126.450 0.20 . 1 . . . . 8 ALA N . 18101 1 77 . 1 1 9 9 MET H H 1 8.252 0.02 . 1 . . . . 9 MET H . 18101 1 78 . 1 1 9 9 MET HA H 1 3.840 0.020 . 1 . . . . 9 MET HA . 18101 1 79 . 1 1 9 9 MET HB2 H 1 2.360 0.020 . 2 . . . . 9 MET HB2 . 18101 1 80 . 1 1 9 9 MET HB3 H 1 2.360 0.020 . 2 . . . . 9 MET HB3 . 18101 1 81 . 1 1 9 9 MET HG2 H 1 2.750 0.020 . 2 . . . . 9 MET HG2 . 18101 1 82 . 1 1 9 9 MET HG3 H 1 2.480 0.020 . 2 . . . . 9 MET HG3 . 18101 1 83 . 1 1 9 9 MET C C 13 178.788 0.20 . 1 . . . . 9 MET C . 18101 1 84 . 1 1 9 9 MET CA C 13 61.200 0.200 . 1 . . . . 9 MET CA . 18101 1 85 . 1 1 9 9 MET CB C 13 34.100 0.200 . 1 . . . . 9 MET CB . 18101 1 86 . 1 1 9 9 MET N N 15 117.253 0.20 . 1 . . . . 9 MET N . 18101 1 87 . 1 1 10 10 GLU H H 1 8.038 0.02 . 1 . . . . 10 GLU H . 18101 1 88 . 1 1 10 10 GLU HA H 1 3.950 0.020 . 1 . . . . 10 GLU HA . 18101 1 89 . 1 1 10 10 GLU HB2 H 1 2.250 0.020 . 2 . . . . 10 GLU HB2 . 18101 1 90 . 1 1 10 10 GLU HB3 H 1 1.530 0.020 . 2 . . . . 10 GLU HB3 . 18101 1 91 . 1 1 10 10 GLU HG2 H 1 2.570 0.020 . 2 . . . . 10 GLU HG2 . 18101 1 92 . 1 1 10 10 GLU HG3 H 1 2.510 0.020 . 2 . . . . 10 GLU HG3 . 18101 1 93 . 1 1 10 10 GLU C C 13 179.779 0.20 . 1 . . . . 10 GLU C . 18101 1 94 . 1 1 10 10 GLU CA C 13 60.100 0.200 . 1 . . . . 10 GLU CA . 18101 1 95 . 1 1 10 10 GLU CB C 13 29.600 0.200 . 1 . . . . 10 GLU CB . 18101 1 96 . 1 1 10 10 GLU CG C 13 37.000 0.200 . 1 . . . . 10 GLU CG . 18101 1 97 . 1 1 10 10 GLU N N 15 118.185 0.20 . 1 . . . . 10 GLU N . 18101 1 98 . 1 1 11 11 THR H H 1 8.404 0.02 . 1 . . . . 11 THR H . 18101 1 99 . 1 1 11 11 THR HA H 1 4.070 0.020 . 1 . . . . 11 THR HA . 18101 1 100 . 1 1 11 11 THR HB H 1 4.120 0.020 . 1 . . . . 11 THR HB . 18101 1 101 . 1 1 11 11 THR HG21 H 1 1.270 0.020 . 1 . . . . 11 THR HG2 . 18101 1 102 . 1 1 11 11 THR HG22 H 1 1.270 0.020 . 1 . . . . 11 THR HG2 . 18101 1 103 . 1 1 11 11 THR HG23 H 1 1.270 0.020 . 1 . . . . 11 THR HG2 . 18101 1 104 . 1 1 11 11 THR C C 13 176.597 0.20 . 1 . . . . 11 THR C . 18101 1 105 . 1 1 11 11 THR CA C 13 67.600 0.200 . 1 . . . . 11 THR CA . 18101 1 106 . 1 1 11 11 THR CB C 13 67.900 0.200 . 1 . . . . 11 THR CB . 18101 1 107 . 1 1 11 11 THR CG2 C 13 21.900 0.200 . 1 . . . . 11 THR CG2 . 18101 1 108 . 1 1 11 11 THR N N 15 118.619 0.20 . 1 . . . . 11 THR N . 18101 1 109 . 1 1 12 12 LEU H H 1 8.139 0.02 . 1 . . . . 12 LEU H . 18101 1 110 . 1 1 12 12 LEU HA H 1 3.950 0.020 . 1 . . . . 12 LEU HA . 18101 1 111 . 1 1 12 12 LEU HB2 H 1 1.460 0.020 . 2 . . . . 12 LEU HB2 . 18101 1 112 . 1 1 12 12 LEU HB3 H 1 1.460 0.020 . 2 . . . . 12 LEU HB3 . 18101 1 113 . 1 1 12 12 LEU HG H 1 1.640 0.020 . 1 . . . . 12 LEU HG . 18101 1 114 . 1 1 12 12 LEU HD11 H 1 0.810 0.020 . 2 . . . . 12 LEU HD1 . 18101 1 115 . 1 1 12 12 LEU HD12 H 1 0.810 0.020 . 2 . . . . 12 LEU HD1 . 18101 1 116 . 1 1 12 12 LEU HD13 H 1 0.810 0.020 . 2 . . . . 12 LEU HD1 . 18101 1 117 . 1 1 12 12 LEU HD21 H 1 0.870 0.020 . 2 . . . . 12 LEU HD2 . 18101 1 118 . 1 1 12 12 LEU HD22 H 1 0.870 0.020 . 2 . . . . 12 LEU HD2 . 18101 1 119 . 1 1 12 12 LEU HD23 H 1 0.870 0.020 . 2 . . . . 12 LEU HD2 . 18101 1 120 . 1 1 12 12 LEU C C 13 181.970 0.20 . 1 . . . . 12 LEU C . 18101 1 121 . 1 1 12 12 LEU CA C 13 59.600 0.200 . 1 . . . . 12 LEU CA . 18101 1 122 . 1 1 12 12 LEU CB C 13 42.000 0.200 . 1 . . . . 12 LEU CB . 18101 1 123 . 1 1 12 12 LEU CD1 C 13 25.000 0.200 . 2 . . . . 12 LEU CD1 . 18101 1 124 . 1 1 12 12 LEU CD2 C 13 24.800 0.200 . 2 . . . . 12 LEU CD2 . 18101 1 125 . 1 1 12 12 LEU N N 15 119.963 0.20 . 1 . . . . 12 LEU N . 18101 1 126 . 1 1 13 13 ILE H H 1 7.747 0.02 . 1 . . . . 13 ILE H . 18101 1 127 . 1 1 13 13 ILE HA H 1 3.820 0.020 . 1 . . . . 13 ILE HA . 18101 1 128 . 1 1 13 13 ILE HB H 1 1.980 0.020 . 1 . . . . 13 ILE HB . 18101 1 129 . 1 1 13 13 ILE HG12 H 1 1.510 0.020 . 2 . . . . 13 ILE HG12 . 18101 1 130 . 1 1 13 13 ILE HG13 H 1 1.480 0.020 . 2 . . . . 13 ILE HG13 . 18101 1 131 . 1 1 13 13 ILE HG21 H 1 0.730 0.020 . 1 . . . . 13 ILE HG2 . 18101 1 132 . 1 1 13 13 ILE HG22 H 1 0.730 0.020 . 1 . . . . 13 ILE HG2 . 18101 1 133 . 1 1 13 13 ILE HG23 H 1 0.730 0.020 . 1 . . . . 13 ILE HG2 . 18101 1 134 . 1 1 13 13 ILE HD11 H 1 0.830 0.020 . 1 . . . . 13 ILE HD1 . 18101 1 135 . 1 1 13 13 ILE HD12 H 1 0.830 0.020 . 1 . . . . 13 ILE HD1 . 18101 1 136 . 1 1 13 13 ILE HD13 H 1 0.830 0.020 . 1 . . . . 13 ILE HD1 . 18101 1 137 . 1 1 13 13 ILE C C 13 178.997 0.20 . 1 . . . . 13 ILE C . 18101 1 138 . 1 1 13 13 ILE CA C 13 66.000 0.200 . 1 . . . . 13 ILE CA . 18101 1 139 . 1 1 13 13 ILE CB C 13 39.500 0.200 . 1 . . . . 13 ILE CB . 18101 1 140 . 1 1 13 13 ILE CG1 C 13 27.300 0.200 . 1 . . . . 13 ILE CG1 . 18101 1 141 . 1 1 13 13 ILE CG2 C 13 17.700 0.200 . 1 . . . . 13 ILE CG2 . 18101 1 142 . 1 1 13 13 ILE CD1 C 13 14.200 0.200 . 1 . . . . 13 ILE CD1 . 18101 1 143 . 1 1 13 13 ILE N N 15 119.915 0.20 . 1 . . . . 13 ILE N . 18101 1 144 . 1 1 14 14 ASN H H 1 9.056 0.02 . 1 . . . . 14 ASN H . 18101 1 145 . 1 1 14 14 ASN HA H 1 4.000 0.020 . 1 . . . . 14 ASN HA . 18101 1 146 . 1 1 14 14 ASN HB2 H 1 2.160 0.020 . 2 . . . . 14 ASN HB2 . 18101 1 147 . 1 1 14 14 ASN HB3 H 1 2.140 0.020 . 2 . . . . 14 ASN HB3 . 18101 1 148 . 1 1 14 14 ASN C C 13 178.244 0.20 . 1 . . . . 14 ASN C . 18101 1 149 . 1 1 14 14 ASN CA C 13 58.000 0.200 . 1 . . . . 14 ASN CA . 18101 1 150 . 1 1 14 14 ASN CB C 13 40.600 0.200 . 1 . . . . 14 ASN CB . 18101 1 151 . 1 1 14 14 ASN N N 15 122.101 0.20 . 1 . . . . 14 ASN N . 18101 1 152 . 1 1 15 15 VAL H H 1 8.982 0.02 . 1 . . . . 15 VAL H . 18101 1 153 . 1 1 15 15 VAL HA H 1 3.830 0.020 . 1 . . . . 15 VAL HA . 18101 1 154 . 1 1 15 15 VAL HB H 1 2.169 0.020 . 1 . . . . 15 VAL HB . 18101 1 155 . 1 1 15 15 VAL HG11 H 1 1.140 0.020 . 2 . . . . 15 VAL HG1 . 18101 1 156 . 1 1 15 15 VAL HG12 H 1 1.140 0.020 . 2 . . . . 15 VAL HG1 . 18101 1 157 . 1 1 15 15 VAL HG13 H 1 1.140 0.020 . 2 . . . . 15 VAL HG1 . 18101 1 158 . 1 1 15 15 VAL HG21 H 1 1.140 0.020 . 2 . . . . 15 VAL HG2 . 18101 1 159 . 1 1 15 15 VAL HG22 H 1 1.140 0.020 . 2 . . . . 15 VAL HG2 . 18101 1 160 . 1 1 15 15 VAL HG23 H 1 1.140 0.020 . 2 . . . . 15 VAL HG2 . 18101 1 161 . 1 1 15 15 VAL C C 13 180.197 0.20 . 1 . . . . 15 VAL C . 18101 1 162 . 1 1 15 15 VAL CA C 13 66.696 0.200 . 1 . . . . 15 VAL CA . 18101 1 163 . 1 1 15 15 VAL CB C 13 31.975 0.200 . 1 . . . . 15 VAL CB . 18101 1 164 . 1 1 15 15 VAL N N 15 121.100 0.20 . 1 . . . . 15 VAL N . 18101 1 165 . 1 1 16 16 PHE H H 1 6.944 0.02 . 1 . . . . 16 PHE H . 18101 1 166 . 1 1 16 16 PHE HA H 1 3.489 0.020 . 1 . . . . 16 PHE HA . 18101 1 167 . 1 1 16 16 PHE HB2 H 1 2.994 0.020 . 2 . . . . 16 PHE HB2 . 18101 1 168 . 1 1 16 16 PHE HB3 H 1 2.994 0.020 . 2 . . . . 16 PHE HB3 . 18101 1 169 . 1 1 16 16 PHE C C 13 178.286 0.20 . 1 . . . . 16 PHE C . 18101 1 170 . 1 1 16 16 PHE CA C 13 58.389 0.200 . 1 . . . . 16 PHE CA . 18101 1 171 . 1 1 16 16 PHE CB C 13 39.458 0.200 . 1 . . . . 16 PHE CB . 18101 1 172 . 1 1 16 16 PHE N N 15 117.540 0.20 . 1 . . . . 16 PHE N . 18101 1 173 . 1 1 17 17 HIS H H 1 7.704 0.02 . 1 . . . . 17 HIS H . 18101 1 174 . 1 1 17 17 HIS HB2 H 1 2.709 0.020 . 2 . . . . 17 HIS HB2 . 18101 1 175 . 1 1 17 17 HIS HB3 H 1 2.877 0.020 . 2 . . . . 17 HIS HB3 . 18101 1 176 . 1 1 17 17 HIS C C 13 177.342 0.20 . 1 . . . . 17 HIS C . 18101 1 177 . 1 1 17 17 HIS CA C 13 58.928 0.200 . 1 . . . . 17 HIS CA . 18101 1 178 . 1 1 17 17 HIS CB C 13 29.295 0.200 . 1 . . . . 17 HIS CB . 18101 1 179 . 1 1 17 17 HIS N N 15 115.322 0.20 . 1 . . . . 17 HIS N . 18101 1 180 . 1 1 18 18 ALA H H 1 8.078 0.02 . 1 . . . . 18 ALA H . 18101 1 181 . 1 1 18 18 ALA HA H 1 4.045 0.020 . 1 . . . . 18 ALA HA . 18101 1 182 . 1 1 18 18 ALA HB1 H 1 1.327 0.020 . 1 . . . . 18 ALA HB . 18101 1 183 . 1 1 18 18 ALA HB2 H 1 1.327 0.020 . 1 . . . . 18 ALA HB . 18101 1 184 . 1 1 18 18 ALA HB3 H 1 1.327 0.020 . 1 . . . . 18 ALA HB . 18101 1 185 . 1 1 18 18 ALA C C 13 179.905 0.20 . 1 . . . . 18 ALA C . 18101 1 186 . 1 1 18 18 ALA CA C 13 54.513 0.200 . 1 . . . . 18 ALA CA . 18101 1 187 . 1 1 18 18 ALA CB C 13 18.172 0.200 . 1 . . . . 18 ALA CB . 18101 1 188 . 1 1 18 18 ALA N N 15 123.700 0.20 . 1 . . . . 18 ALA N . 18101 1 189 . 1 1 19 19 HIS H H 1 7.021 0.02 . 1 . . . . 19 HIS H . 18101 1 190 . 1 1 19 19 HIS HA H 1 4.390 0.020 . 1 . . . . 19 HIS HA . 18101 1 191 . 1 1 19 19 HIS HB2 H 1 3.750 0.020 . 2 . . . . 19 HIS HB2 . 18101 1 192 . 1 1 19 19 HIS HB3 H 1 2.960 0.020 . 2 . . . . 19 HIS HB3 . 18101 1 193 . 1 1 19 19 HIS C C 13 176.625 0.20 . 1 . . . . 19 HIS C . 18101 1 194 . 1 1 19 19 HIS CA C 13 57.700 0.200 . 1 . . . . 19 HIS CA . 18101 1 195 . 1 1 19 19 HIS CB C 13 34.200 0.200 . 1 . . . . 19 HIS CB . 18101 1 196 . 1 1 19 19 HIS N N 15 114.388 0.20 . 1 . . . . 19 HIS N . 18101 1 197 . 1 1 20 20 SER H H 1 8.528 0.02 . 1 . . . . 20 SER H . 18101 1 198 . 1 1 20 20 SER HA H 1 4.720 0.020 . 1 . . . . 20 SER HA . 18101 1 199 . 1 1 20 20 SER HB2 H 1 3.670 0.020 . 2 . . . . 20 SER HB2 . 18101 1 200 . 1 1 20 20 SER HB3 H 1 3.670 0.020 . 2 . . . . 20 SER HB3 . 18101 1 201 . 1 1 20 20 SER C C 13 177.839 0.20 . 1 . . . . 20 SER C . 18101 1 202 . 1 1 20 20 SER CA C 13 61.600 0.200 . 1 . . . . 20 SER CA . 18101 1 203 . 1 1 20 20 SER CB C 13 61.600 0.200 . 1 . . . . 20 SER CB . 18101 1 204 . 1 1 20 20 SER N N 15 114.220 0.20 . 1 . . . . 20 SER N . 18101 1 205 . 1 1 21 21 GLY H H 1 7.713 0.02 . 1 . . . . 21 GLY H . 18101 1 206 . 1 1 21 21 GLY HA2 H 1 4.090 0.020 . 2 . . . . 21 GLY HA2 . 18101 1 207 . 1 1 21 21 GLY HA3 H 1 3.790 0.020 . 2 . . . . 21 GLY HA3 . 18101 1 208 . 1 1 21 21 GLY C C 13 174.559 0.20 . 1 . . . . 21 GLY C . 18101 1 209 . 1 1 21 21 GLY CA C 13 45.700 0.200 . 1 . . . . 21 GLY CA . 18101 1 210 . 1 1 21 21 GLY N N 15 111.841 0.20 . 1 . . . . 21 GLY N . 18101 1 211 . 1 1 22 22 LYS H H 1 7.170 0.02 . 1 . . . . 22 LYS H . 18101 1 212 . 1 1 22 22 LYS HA H 1 3.920 0.020 . 1 . . . . 22 LYS HA . 18101 1 213 . 1 1 22 22 LYS HB2 H 1 1.860 0.020 . 2 . . . . 22 LYS HB2 . 18101 1 214 . 1 1 22 22 LYS HB3 H 1 1.880 0.020 . 2 . . . . 22 LYS HB3 . 18101 1 215 . 1 1 22 22 LYS HG2 H 1 1.350 0.020 . 2 . . . . 22 LYS HG2 . 18101 1 216 . 1 1 22 22 LYS HG3 H 1 1.380 0.020 . 2 . . . . 22 LYS HG3 . 18101 1 217 . 1 1 22 22 LYS HD2 H 1 1.640 0.020 . 2 . . . . 22 LYS HD2 . 18101 1 218 . 1 1 22 22 LYS HD3 H 1 1.590 0.020 . 2 . . . . 22 LYS HD3 . 18101 1 219 . 1 1 22 22 LYS HE2 H 1 2.960 0.020 . 2 . . . . 22 LYS HE2 . 18101 1 220 . 1 1 22 22 LYS HE3 H 1 2.930 0.020 . 2 . . . . 22 LYS HE3 . 18101 1 221 . 1 1 22 22 LYS C C 13 178.230 0.20 . 1 . . . . 22 LYS C . 18101 1 222 . 1 1 22 22 LYS CA C 13 59.600 0.200 . 1 . . . . 22 LYS CA . 18101 1 223 . 1 1 22 22 LYS CB C 13 33.000 0.200 . 1 . . . . 22 LYS CB . 18101 1 224 . 1 1 22 22 LYS CG C 13 25.000 0.200 . 1 . . . . 22 LYS CG . 18101 1 225 . 1 1 22 22 LYS CD C 13 29.700 0.200 . 1 . . . . 22 LYS CD . 18101 1 226 . 1 1 22 22 LYS CE C 13 42.300 0.200 . 1 . . . . 22 LYS CE . 18101 1 227 . 1 1 22 22 LYS N N 15 122.630 0.20 . 1 . . . . 22 LYS N . 18101 1 228 . 1 1 23 23 GLU H H 1 9.364 0.02 . 1 . . . . 23 GLU H . 18101 1 229 . 1 1 23 23 GLU HA H 1 4.610 0.020 . 1 . . . . 23 GLU HA . 18101 1 230 . 1 1 23 23 GLU HB2 H 1 2.110 0.020 . 2 . . . . 23 GLU HB2 . 18101 1 231 . 1 1 23 23 GLU HB3 H 1 2.070 0.020 . 2 . . . . 23 GLU HB3 . 18101 1 232 . 1 1 23 23 GLU HG2 H 1 2.600 0.020 . 2 . . . . 23 GLU HG2 . 18101 1 233 . 1 1 23 23 GLU HG3 H 1 2.550 0.020 . 2 . . . . 23 GLU HG3 . 18101 1 234 . 1 1 23 23 GLU C C 13 177.211 0.20 . 1 . . . . 23 GLU C . 18101 1 235 . 1 1 23 23 GLU CA C 13 54.200 0.200 . 1 . . . . 23 GLU CA . 18101 1 236 . 1 1 23 23 GLU CB C 13 33.400 0.200 . 1 . . . . 23 GLU CB . 18101 1 237 . 1 1 23 23 GLU CG C 13 37.100 0.200 . 1 . . . . 23 GLU CG . 18101 1 238 . 1 1 23 23 GLU N N 15 116.142 0.20 . 1 . . . . 23 GLU N . 18101 1 239 . 1 1 24 24 GLY H H 1 8.535 0.02 . 1 . . . . 24 GLY H . 18101 1 240 . 1 1 24 24 GLY HA2 H 1 4.100 0.020 . 2 . . . . 24 GLY HA2 . 18101 1 241 . 1 1 24 24 GLY HA3 H 1 3.970 0.020 . 2 . . . . 24 GLY HA3 . 18101 1 242 . 1 1 24 24 GLY C C 13 174.742 0.20 . 1 . . . . 24 GLY C . 18101 1 243 . 1 1 24 24 GLY CA C 13 45.400 0.200 . 1 . . . . 24 GLY CA . 18101 1 244 . 1 1 24 24 GLY N N 15 111.264 0.20 . 1 . . . . 24 GLY N . 18101 1 245 . 1 1 25 25 ASP H H 1 8.705 0.02 . 1 . . . . 25 ASP H . 18101 1 246 . 1 1 25 25 ASP HA H 1 4.405 0.020 . 1 . . . . 25 ASP HA . 18101 1 247 . 1 1 25 25 ASP HB2 H 1 2.709 0.020 . 2 . . . . 25 ASP HB2 . 18101 1 248 . 1 1 25 25 ASP C C 13 180.463 0.20 . 1 . . . . 25 ASP C . 18101 1 249 . 1 1 25 25 ASP CA C 13 55.299 0.200 . 1 . . . . 25 ASP CA . 18101 1 250 . 1 1 25 25 ASP CB C 13 42.110 0.200 . 1 . . . . 25 ASP CB . 18101 1 251 . 1 1 25 25 ASP N N 15 126.773 0.20 . 1 . . . . 25 ASP N . 18101 1 252 . 1 1 26 26 LYS H H 1 9.337 0.02 . 1 . . . . 26 LYS H . 18101 1 253 . 1 1 26 26 LYS HA H 1 4.301 0.020 . 1 . . . . 26 LYS HA . 18101 1 254 . 1 1 26 26 LYS HB2 H 1 1.407 0.020 . 2 . . . . 26 LYS HB2 . 18101 1 255 . 1 1 26 26 LYS HB3 H 1 1.440 0.020 . 2 . . . . 26 LYS HB3 . 18101 1 256 . 1 1 26 26 LYS HG2 H 1 1.112 0.020 . 2 . . . . 26 LYS HG2 . 18101 1 257 . 1 1 26 26 LYS HD2 H 1 1.497 0.020 . 2 . . . . 26 LYS HD2 . 18101 1 258 . 1 1 26 26 LYS HE2 H 1 2.922 0.020 . 2 . . . . 26 LYS HE2 . 18101 1 259 . 1 1 26 26 LYS HE3 H 1 2.930 0.020 . 2 . . . . 26 LYS HE3 . 18101 1 260 . 1 1 26 26 LYS C C 13 177.449 0.20 . 1 . . . . 26 LYS C . 18101 1 261 . 1 1 26 26 LYS CA C 13 58.281 0.200 . 1 . . . . 26 LYS CA . 18101 1 262 . 1 1 26 26 LYS CB C 13 31.564 0.200 . 1 . . . . 26 LYS CB . 18101 1 263 . 1 1 26 26 LYS CG C 13 25.041 0.200 . 1 . . . . 26 LYS CG . 18101 1 264 . 1 1 26 26 LYS CD C 13 27.267 0.200 . 1 . . . . 26 LYS CD . 18101 1 265 . 1 1 26 26 LYS CE C 13 42.006 0.200 . 1 . . . . 26 LYS CE . 18101 1 266 . 1 1 26 26 LYS N N 15 132.600 0.20 . 1 . . . . 26 LYS N . 18101 1 267 . 1 1 27 27 TYR H H 1 9.424 0.02 . 1 . . . . 27 TYR H . 18101 1 268 . 1 1 27 27 TYR HA H 1 4.700 0.020 . 1 . . . . 27 TYR HA . 18101 1 269 . 1 1 27 27 TYR HB2 H 1 2.960 0.020 . 2 . . . . 27 TYR HB2 . 18101 1 270 . 1 1 27 27 TYR HB3 H 1 3.560 0.020 . 2 . . . . 27 TYR HB3 . 18101 1 271 . 1 1 27 27 TYR C C 13 174.601 0.20 . 1 . . . . 27 TYR C . 18101 1 272 . 1 1 27 27 TYR CA C 13 56.500 0.200 . 1 . . . . 27 TYR CA . 18101 1 273 . 1 1 27 27 TYR CB C 13 38.200 0.200 . 1 . . . . 27 TYR CB . 18101 1 274 . 1 1 27 27 TYR N N 15 120.179 0.20 . 1 . . . . 27 TYR N . 18101 1 275 . 1 1 28 28 LYS H H 1 7.086 0.02 . 1 . . . . 28 LYS H . 18101 1 276 . 1 1 28 28 LYS HA H 1 5.130 0.020 . 1 . . . . 28 LYS HA . 18101 1 277 . 1 1 28 28 LYS HB2 H 1 1.510 0.020 . 2 . . . . 28 LYS HB2 . 18101 1 278 . 1 1 28 28 LYS HB3 H 1 1.710 0.020 . 2 . . . . 28 LYS HB3 . 18101 1 279 . 1 1 28 28 LYS HG2 H 1 1.370 0.020 . 2 . . . . 28 LYS HG2 . 18101 1 280 . 1 1 28 28 LYS HG3 H 1 1.530 0.020 . 2 . . . . 28 LYS HG3 . 18101 1 281 . 1 1 28 28 LYS HD2 H 1 1.450 0.020 . 2 . . . . 28 LYS HD2 . 18101 1 282 . 1 1 28 28 LYS HD3 H 1 1.700 0.020 . 2 . . . . 28 LYS HD3 . 18101 1 283 . 1 1 28 28 LYS HE2 H 1 2.960 0.020 . 2 . . . . 28 LYS HE2 . 18101 1 284 . 1 1 28 28 LYS HE3 H 1 2.930 0.020 . 2 . . . . 28 LYS HE3 . 18101 1 285 . 1 1 28 28 LYS C C 13 175.620 0.20 . 1 . . . . 28 LYS C . 18101 1 286 . 1 1 28 28 LYS CA C 13 55.300 0.200 . 1 . . . . 28 LYS CA . 18101 1 287 . 1 1 28 28 LYS CB C 13 39.000 0.200 . 1 . . . . 28 LYS CB . 18101 1 288 . 1 1 28 28 LYS CG C 13 26.400 0.200 . 1 . . . . 28 LYS CG . 18101 1 289 . 1 1 28 28 LYS CD C 13 30.300 0.200 . 1 . . . . 28 LYS CD . 18101 1 290 . 1 1 28 28 LYS CE C 13 42.200 0.200 . 1 . . . . 28 LYS CE . 18101 1 291 . 1 1 28 28 LYS N N 15 115.205 0.20 . 1 . . . . 28 LYS N . 18101 1 292 . 1 1 29 29 LEU H H 1 9.765 0.02 . 1 . . . . 29 LEU H . 18101 1 293 . 1 1 29 29 LEU HA H 1 5.170 0.020 . 1 . . . . 29 LEU HA . 18101 1 294 . 1 1 29 29 LEU HB2 H 1 2.070 0.020 . 2 . . . . 29 LEU HB2 . 18101 1 295 . 1 1 29 29 LEU HB3 H 1 1.230 0.020 . 2 . . . . 29 LEU HB3 . 18101 1 296 . 1 1 29 29 LEU HG H 1 1.740 0.020 . 1 . . . . 29 LEU HG . 18101 1 297 . 1 1 29 29 LEU HD11 H 1 0.170 0.020 . 2 . . . . 29 LEU HD1 . 18101 1 298 . 1 1 29 29 LEU HD12 H 1 0.170 0.020 . 2 . . . . 29 LEU HD1 . 18101 1 299 . 1 1 29 29 LEU HD13 H 1 0.170 0.020 . 2 . . . . 29 LEU HD1 . 18101 1 300 . 1 1 29 29 LEU HD21 H 1 0.650 0.020 . 2 . . . . 29 LEU HD2 . 18101 1 301 . 1 1 29 29 LEU HD22 H 1 0.650 0.020 . 2 . . . . 29 LEU HD2 . 18101 1 302 . 1 1 29 29 LEU HD23 H 1 0.650 0.020 . 2 . . . . 29 LEU HD2 . 18101 1 303 . 1 1 29 29 LEU C C 13 176.897 0.20 . 1 . . . . 29 LEU C . 18101 1 304 . 1 1 29 29 LEU CA C 13 53.000 0.200 . 1 . . . . 29 LEU CA . 18101 1 305 . 1 1 29 29 LEU CB C 13 43.200 0.200 . 1 . . . . 29 LEU CB . 18101 1 306 . 1 1 29 29 LEU CG C 13 27.800 0.200 . 1 . . . . 29 LEU CG . 18101 1 307 . 1 1 29 29 LEU CD1 C 13 24.300 0.200 . 2 . . . . 29 LEU CD1 . 18101 1 308 . 1 1 29 29 LEU CD2 C 13 27.500 0.200 . 2 . . . . 29 LEU CD2 . 18101 1 309 . 1 1 29 29 LEU N N 15 126.258 0.20 . 1 . . . . 29 LEU N . 18101 1 310 . 1 1 30 30 SER H H 1 9.902 0.02 . 1 . . . . 30 SER H . 18101 1 311 . 1 1 30 30 SER HA H 1 4.560 0.020 . 1 . . . . 30 SER HA . 18101 1 312 . 1 1 30 30 SER HB2 H 1 4.290 0.020 . 2 . . . . 30 SER HB2 . 18101 1 313 . 1 1 30 30 SER HB3 H 1 4.590 0.020 . 2 . . . . 30 SER HB3 . 18101 1 314 . 1 1 30 30 SER C C 13 175.355 0.20 . 1 . . . . 30 SER C . 18101 1 315 . 1 1 30 30 SER CA C 13 56.500 0.200 . 1 . . . . 30 SER CA . 18101 1 316 . 1 1 30 30 SER CB C 13 65.700 0.200 . 1 . . . . 30 SER CB . 18101 1 317 . 1 1 30 30 SER N N 15 121.332 0.20 . 1 . . . . 30 SER N . 18101 1 318 . 1 1 31 31 LYS H H 1 8.876 0.02 . 1 . . . . 31 LYS H . 18101 1 319 . 1 1 31 31 LYS HA H 1 3.840 0.020 . 1 . . . . 31 LYS HA . 18101 1 320 . 1 1 31 31 LYS HB2 H 1 1.780 0.020 . 2 . . . . 31 LYS HB2 . 18101 1 321 . 1 1 31 31 LYS HB3 H 1 1.760 0.020 . 2 . . . . 31 LYS HB3 . 18101 1 322 . 1 1 31 31 LYS HG2 H 1 1.380 0.020 . 2 . . . . 31 LYS HG2 . 18101 1 323 . 1 1 31 31 LYS HG3 H 1 1.440 0.020 . 2 . . . . 31 LYS HG3 . 18101 1 324 . 1 1 31 31 LYS HD2 H 1 1.620 0.020 . 2 . . . . 31 LYS HD2 . 18101 1 325 . 1 1 31 31 LYS HD3 H 1 1.640 0.020 . 2 . . . . 31 LYS HD3 . 18101 1 326 . 1 1 31 31 LYS HE2 H 1 2.960 0.020 . 2 . . . . 31 LYS HE2 . 18101 1 327 . 1 1 31 31 LYS HE3 H 1 2.930 0.020 . 2 . . . . 31 LYS HE3 . 18101 1 328 . 1 1 31 31 LYS C C 13 178.840 0.20 . 1 . . . . 31 LYS C . 18101 1 329 . 1 1 31 31 LYS CA C 13 57.100 0.200 . 1 . . . . 31 LYS CA . 18101 1 330 . 1 1 31 31 LYS CB C 13 32.200 0.200 . 1 . . . . 31 LYS CB . 18101 1 331 . 1 1 31 31 LYS CG C 13 26.500 0.200 . 1 . . . . 31 LYS CG . 18101 1 332 . 1 1 31 31 LYS CD C 13 29.400 0.200 . 1 . . . . 31 LYS CD . 18101 1 333 . 1 1 31 31 LYS CE C 13 42.300 0.200 . 1 . . . . 31 LYS CE . 18101 1 334 . 1 1 31 31 LYS N N 15 120.707 0.20 . 1 . . . . 31 LYS N . 18101 1 335 . 1 1 32 32 LYS H H 1 7.948 0.02 . 1 . . . . 32 LYS H . 18101 1 336 . 1 1 32 32 LYS HA H 1 3.920 0.020 . 1 . . . . 32 LYS HA . 18101 1 337 . 1 1 32 32 LYS HB2 H 1 1.900 0.020 . 2 . . . . 32 LYS HB2 . 18101 1 338 . 1 1 32 32 LYS HB3 H 1 1.900 0.020 . 2 . . . . 32 LYS HB3 . 18101 1 339 . 1 1 32 32 LYS HG2 H 1 1.220 0.020 . 2 . . . . 32 LYS HG2 . 18101 1 340 . 1 1 32 32 LYS HG3 H 1 1.380 0.020 . 2 . . . . 32 LYS HG3 . 18101 1 341 . 1 1 32 32 LYS HD2 H 1 1.640 0.020 . 2 . . . . 32 LYS HD2 . 18101 1 342 . 1 1 32 32 LYS HD3 H 1 1.620 0.020 . 2 . . . . 32 LYS HD3 . 18101 1 343 . 1 1 32 32 LYS HE2 H 1 2.960 0.020 . 2 . . . . 32 LYS HE2 . 18101 1 344 . 1 1 32 32 LYS HE3 H 1 2.930 0.020 . 2 . . . . 32 LYS HE3 . 18101 1 345 . 1 1 32 32 LYS C C 13 179.681 0.20 . 1 . . . . 32 LYS C . 18101 1 346 . 1 1 32 32 LYS CA C 13 60.000 0.200 . 1 . . . . 32 LYS CA . 18101 1 347 . 1 1 32 32 LYS CB C 13 33.400 0.200 . 1 . . . . 32 LYS CB . 18101 1 348 . 1 1 32 32 LYS CG C 13 25.200 0.200 . 1 . . . . 32 LYS CG . 18101 1 349 . 1 1 32 32 LYS CD C 13 29.300 0.200 . 1 . . . . 32 LYS CD . 18101 1 350 . 1 1 32 32 LYS CE C 13 42.300 0.200 . 1 . . . . 32 LYS CE . 18101 1 351 . 1 1 32 32 LYS N N 15 118.871 0.20 . 1 . . . . 32 LYS N . 18101 1 352 . 1 1 33 33 GLU H H 1 7.524 0.02 . 1 . . . . 33 GLU H . 18101 1 353 . 1 1 33 33 GLU HA H 1 3.910 0.020 . 1 . . . . 33 GLU HA . 18101 1 354 . 1 1 33 33 GLU HB2 H 1 1.950 0.020 . 2 . . . . 33 GLU HB2 . 18101 1 355 . 1 1 33 33 GLU HB3 H 1 2.170 0.020 . 2 . . . . 33 GLU HB3 . 18101 1 356 . 1 1 33 33 GLU HG2 H 1 2.170 0.020 . 2 . . . . 33 GLU HG2 . 18101 1 357 . 1 1 33 33 GLU HG3 H 1 2.570 0.020 . 2 . . . . 33 GLU HG3 . 18101 1 358 . 1 1 33 33 GLU C C 13 179.514 0.20 . 1 . . . . 33 GLU C . 18101 1 359 . 1 1 33 33 GLU CA C 13 59.100 0.200 . 1 . . . . 33 GLU CA . 18101 1 360 . 1 1 33 33 GLU CB C 13 30.800 0.200 . 1 . . . . 33 GLU CB . 18101 1 361 . 1 1 33 33 GLU CG C 13 37.000 0.200 . 1 . . . . 33 GLU CG . 18101 1 362 . 1 1 33 33 GLU N N 15 119.626 0.20 . 1 . . . . 33 GLU N . 18101 1 363 . 1 1 34 34 LEU H H 1 9.102 0.02 . 1 . . . . 34 LEU H . 18101 1 364 . 1 1 34 34 LEU HA H 1 3.900 0.020 . 1 . . . . 34 LEU HA . 18101 1 365 . 1 1 34 34 LEU HB2 H 1 2.020 0.020 . 2 . . . . 34 LEU HB2 . 18101 1 366 . 1 1 34 34 LEU HB3 H 1 1.330 0.020 . 2 . . . . 34 LEU HB3 . 18101 1 367 . 1 1 34 34 LEU HG H 1 1.630 0.020 . 1 . . . . 34 LEU HG . 18101 1 368 . 1 1 34 34 LEU HD11 H 1 0.880 0.020 . 2 . . . . 34 LEU HD1 . 18101 1 369 . 1 1 34 34 LEU HD12 H 1 0.880 0.020 . 2 . . . . 34 LEU HD1 . 18101 1 370 . 1 1 34 34 LEU HD13 H 1 0.880 0.020 . 2 . . . . 34 LEU HD1 . 18101 1 371 . 1 1 34 34 LEU HD21 H 1 0.700 0.020 . 2 . . . . 34 LEU HD2 . 18101 1 372 . 1 1 34 34 LEU HD22 H 1 0.700 0.020 . 2 . . . . 34 LEU HD2 . 18101 1 373 . 1 1 34 34 LEU HD23 H 1 0.700 0.020 . 2 . . . . 34 LEU HD2 . 18101 1 374 . 1 1 34 34 LEU C C 13 178.579 0.20 . 1 . . . . 34 LEU C . 18101 1 375 . 1 1 34 34 LEU CA C 13 58.000 0.200 . 1 . . . . 34 LEU CA . 18101 1 376 . 1 1 34 34 LEU CB C 13 41.700 0.200 . 1 . . . . 34 LEU CB . 18101 1 377 . 1 1 34 34 LEU CG C 13 26.900 0.200 . 1 . . . . 34 LEU CG . 18101 1 378 . 1 1 34 34 LEU CD1 C 13 26.700 0.200 . 2 . . . . 34 LEU CD1 . 18101 1 379 . 1 1 34 34 LEU CD2 C 13 22.500 0.200 . 2 . . . . 34 LEU CD2 . 18101 1 380 . 1 1 34 34 LEU N N 15 119.746 0.20 . 1 . . . . 34 LEU N . 18101 1 381 . 1 1 35 35 LYS H H 1 8.261 0.02 . 1 . . . . 35 LYS H . 18101 1 382 . 1 1 35 35 LYS HA H 1 3.660 0.020 . 1 . . . . 35 LYS HA . 18101 1 383 . 1 1 35 35 LYS HB2 H 1 2.160 0.020 . 2 . . . . 35 LYS HB2 . 18101 1 384 . 1 1 35 35 LYS HB3 H 1 1.890 0.020 . 2 . . . . 35 LYS HB3 . 18101 1 385 . 1 1 35 35 LYS HG2 H 1 1.300 0.020 . 2 . . . . 35 LYS HG2 . 18101 1 386 . 1 1 35 35 LYS HG3 H 1 1.380 0.020 . 2 . . . . 35 LYS HG3 . 18101 1 387 . 1 1 35 35 LYS HD2 H 1 1.670 0.020 . 2 . . . . 35 LYS HD2 . 18101 1 388 . 1 1 35 35 LYS HD3 H 1 1.690 0.020 . 2 . . . . 35 LYS HD3 . 18101 1 389 . 1 1 35 35 LYS HE2 H 1 2.960 0.020 . 2 . . . . 35 LYS HE2 . 18101 1 390 . 1 1 35 35 LYS HE3 H 1 2.930 0.020 . 2 . . . . 35 LYS HE3 . 18101 1 391 . 1 1 35 35 LYS C C 13 178.397 0.20 . 1 . . . . 35 LYS C . 18101 1 392 . 1 1 35 35 LYS CA C 13 60.900 0.200 . 1 . . . . 35 LYS CA . 18101 1 393 . 1 1 35 35 LYS CB C 13 32.300 0.200 . 1 . . . . 35 LYS CB . 18101 1 394 . 1 1 35 35 LYS CG C 13 25.000 0.200 . 1 . . . . 35 LYS CG . 18101 1 395 . 1 1 35 35 LYS CD C 13 30.000 0.200 . 1 . . . . 35 LYS CD . 18101 1 396 . 1 1 35 35 LYS CE C 13 42.300 0.200 . 1 . . . . 35 LYS CE . 18101 1 397 . 1 1 35 35 LYS N N 15 119.530 0.20 . 1 . . . . 35 LYS N . 18101 1 398 . 1 1 36 36 GLU H H 1 7.733 0.02 . 1 . . . . 36 GLU H . 18101 1 399 . 1 1 36 36 GLU HA H 1 4.010 0.020 . 1 . . . . 36 GLU HA . 18101 1 400 . 1 1 36 36 GLU HB2 H 1 2.180 0.020 . 2 . . . . 36 GLU HB2 . 18101 1 401 . 1 1 36 36 GLU HB3 H 1 2.090 0.020 . 2 . . . . 36 GLU HB3 . 18101 1 402 . 1 1 36 36 GLU HG2 H 1 2.560 0.020 . 2 . . . . 36 GLU HG2 . 18101 1 403 . 1 1 36 36 GLU HG3 H 1 2.210 0.020 . 2 . . . . 36 GLU HG3 . 18101 1 404 . 1 1 36 36 GLU C C 13 179.890 0.20 . 1 . . . . 36 GLU C . 18101 1 405 . 1 1 36 36 GLU CA C 13 59.900 0.200 . 1 . . . . 36 GLU CA . 18101 1 406 . 1 1 36 36 GLU CB C 13 29.300 0.200 . 1 . . . . 36 GLU CB . 18101 1 407 . 1 1 36 36 GLU CG C 13 37.100 0.200 . 1 . . . . 36 GLU CG . 18101 1 408 . 1 1 36 36 GLU N N 15 117.872 0.20 . 1 . . . . 36 GLU N . 18101 1 409 . 1 1 37 37 LEU H H 1 8.350 0.02 . 1 . . . . 37 LEU H . 18101 1 410 . 1 1 37 37 LEU HB2 H 1 1.690 0.020 . 2 . . . . 37 LEU HB2 . 18101 1 411 . 1 1 37 37 LEU HB3 H 1 1.710 0.020 . 2 . . . . 37 LEU HB3 . 18101 1 412 . 1 1 37 37 LEU HG H 1 1.140 0.020 . 1 . . . . 37 LEU HG . 18101 1 413 . 1 1 37 37 LEU HD11 H 1 0.700 0.020 . 2 . . . . 37 LEU HD1 . 18101 1 414 . 1 1 37 37 LEU HD12 H 1 0.700 0.020 . 2 . . . . 37 LEU HD1 . 18101 1 415 . 1 1 37 37 LEU HD13 H 1 0.700 0.020 . 2 . . . . 37 LEU HD1 . 18101 1 416 . 1 1 37 37 LEU HD21 H 1 0.470 0.020 . 2 . . . . 37 LEU HD2 . 18101 1 417 . 1 1 37 37 LEU HD22 H 1 0.470 0.020 . 2 . . . . 37 LEU HD2 . 18101 1 418 . 1 1 37 37 LEU HD23 H 1 0.470 0.020 . 2 . . . . 37 LEU HD2 . 18101 1 419 . 1 1 37 37 LEU C C 13 179.611 0.20 . 1 . . . . 37 LEU C . 18101 1 420 . 1 1 37 37 LEU CA C 13 60.000 0.200 . 1 . . . . 37 LEU CA . 18101 1 421 . 1 1 37 37 LEU CB C 13 42.200 0.200 . 1 . . . . 37 LEU CB . 18101 1 422 . 1 1 37 37 LEU CG C 13 27.800 0.200 . 1 . . . . 37 LEU CG . 18101 1 423 . 1 1 37 37 LEU CD1 C 13 27.800 0.200 . 2 . . . . 37 LEU CD1 . 18101 1 424 . 1 1 37 37 LEU CD2 C 13 24.700 0.200 . 2 . . . . 37 LEU CD2 . 18101 1 425 . 1 1 37 37 LEU N N 15 125.177 0.20 . 1 . . . . 37 LEU N . 18101 1 426 . 1 1 38 38 LEU H H 1 8.689 0.02 . 1 . . . . 38 LEU H . 18101 1 427 . 1 1 38 38 LEU HA H 1 3.740 0.020 . 1 . . . . 38 LEU HA . 18101 1 428 . 1 1 38 38 LEU HB2 H 1 1.990 0.020 . 2 . . . . 38 LEU HB2 . 18101 1 429 . 1 1 38 38 LEU HB3 H 1 1.310 0.020 . 2 . . . . 38 LEU HB3 . 18101 1 430 . 1 1 38 38 LEU HG H 1 1.630 0.020 . 1 . . . . 38 LEU HG . 18101 1 431 . 1 1 38 38 LEU HD11 H 1 0.880 0.020 . 2 . . . . 38 LEU HD1 . 18101 1 432 . 1 1 38 38 LEU HD12 H 1 0.880 0.020 . 2 . . . . 38 LEU HD1 . 18101 1 433 . 1 1 38 38 LEU HD13 H 1 0.880 0.020 . 2 . . . . 38 LEU HD1 . 18101 1 434 . 1 1 38 38 LEU HD21 H 1 0.790 0.020 . 2 . . . . 38 LEU HD2 . 18101 1 435 . 1 1 38 38 LEU HD22 H 1 0.790 0.020 . 2 . . . . 38 LEU HD2 . 18101 1 436 . 1 1 38 38 LEU HD23 H 1 0.790 0.020 . 2 . . . . 38 LEU HD2 . 18101 1 437 . 1 1 38 38 LEU C C 13 179.538 0.20 . 1 . . . . 38 LEU C . 18101 1 438 . 1 1 38 38 LEU CA C 13 58.600 0.200 . 1 . . . . 38 LEU CA . 18101 1 439 . 1 1 38 38 LEU CB C 13 42.200 0.200 . 1 . . . . 38 LEU CB . 18101 1 440 . 1 1 38 38 LEU CG C 13 26.900 0.200 . 1 . . . . 38 LEU CG . 18101 1 441 . 1 1 38 38 LEU CD1 C 13 26.700 0.200 . 2 . . . . 38 LEU CD1 . 18101 1 442 . 1 1 38 38 LEU CD2 C 13 25.200 0.200 . 2 . . . . 38 LEU CD2 . 18101 1 443 . 1 1 38 38 LEU N N 15 119.362 0.20 . 1 . . . . 38 LEU N . 18101 1 444 . 1 1 39 39 GLN H H 1 8.542 0.02 . 1 . . . . 39 GLN H . 18101 1 445 . 1 1 39 39 GLN HA H 1 3.940 0.020 . 1 . . . . 39 GLN HA . 18101 1 446 . 1 1 39 39 GLN HB2 H 1 1.970 0.020 . 2 . . . . 39 GLN HB2 . 18101 1 447 . 1 1 39 39 GLN HB3 H 1 2.170 0.020 . 2 . . . . 39 GLN HB3 . 18101 1 448 . 1 1 39 39 GLN HG2 H 1 2.350 0.020 . 2 . . . . 39 GLN HG2 . 18101 1 449 . 1 1 39 39 GLN HG3 H 1 2.470 0.020 . 2 . . . . 39 GLN HG3 . 18101 1 450 . 1 1 39 39 GLN C C 13 178.648 0.20 . 1 . . . . 39 GLN C . 18101 1 451 . 1 1 39 39 GLN CA C 13 58.800 0.200 . 1 . . . . 39 GLN CA . 18101 1 452 . 1 1 39 39 GLN CB C 13 29.500 0.200 . 1 . . . . 39 GLN CB . 18101 1 453 . 1 1 39 39 GLN CG C 13 34.900 0.200 . 1 . . . . 39 GLN CG . 18101 1 454 . 1 1 39 39 GLN N N 15 114.965 0.20 . 1 . . . . 39 GLN N . 18101 1 455 . 1 1 40 40 THR H H 1 7.853 0.02 . 1 . . . . 40 THR H . 18101 1 456 . 1 1 40 40 THR HA H 1 4.250 0.020 . 1 . . . . 40 THR HA . 18101 1 457 . 1 1 40 40 THR HB H 1 4.240 0.020 . 1 . . . . 40 THR HB . 18101 1 458 . 1 1 40 40 THR HG21 H 1 1.430 0.020 . 1 . . . . 40 THR HG2 . 18101 1 459 . 1 1 40 40 THR HG22 H 1 1.430 0.020 . 1 . . . . 40 THR HG2 . 18101 1 460 . 1 1 40 40 THR HG23 H 1 1.430 0.020 . 1 . . . . 40 THR HG2 . 18101 1 461 . 1 1 40 40 THR C C 13 177.420 0.20 . 1 . . . . 40 THR C . 18101 1 462 . 1 1 40 40 THR CA C 13 65.200 0.200 . 1 . . . . 40 THR CA . 18101 1 463 . 1 1 40 40 THR CB C 13 70.400 0.200 . 1 . . . . 40 THR CB . 18101 1 464 . 1 1 40 40 THR CG2 C 13 22.000 0.200 . 1 . . . . 40 THR CG2 . 18101 1 465 . 1 1 40 40 THR N N 15 110.736 0.20 . 1 . . . . 40 THR N . 18101 1 466 . 1 1 41 41 GLU H H 1 8.492 0.02 . 1 . . . . 41 GLU H . 18101 1 467 . 1 1 41 41 GLU HA H 1 4.120 0.020 . 1 . . . . 41 GLU HA . 18101 1 468 . 1 1 41 41 GLU HB2 H 1 1.860 0.020 . 2 . . . . 41 GLU HB2 . 18101 1 469 . 1 1 41 41 GLU HB3 H 1 2.100 0.020 . 2 . . . . 41 GLU HB3 . 18101 1 470 . 1 1 41 41 GLU HG2 H 1 2.270 0.020 . 2 . . . . 41 GLU HG2 . 18101 1 471 . 1 1 41 41 GLU HG3 H 1 2.020 0.020 . 2 . . . . 41 GLU HG3 . 18101 1 472 . 1 1 41 41 GLU C C 13 177.029 0.20 . 1 . . . . 41 GLU C . 18101 1 473 . 1 1 41 41 GLU CA C 13 57.100 0.200 . 1 . . . . 41 GLU CA . 18101 1 474 . 1 1 41 41 GLU CB C 13 32.300 0.200 . 1 . . . . 41 GLU CB . 18101 1 475 . 1 1 41 41 GLU CG C 13 33.200 0.200 . 1 . . . . 41 GLU CG . 18101 1 476 . 1 1 41 41 GLU N N 15 117.992 0.20 . 1 . . . . 41 GLU N . 18101 1 477 . 1 1 42 42 LEU H H 1 7.933 0.02 . 1 . . . . 42 LEU H . 18101 1 478 . 1 1 42 42 LEU HA H 1 5.050 0.020 . 1 . . . . 42 LEU HA . 18101 1 479 . 1 1 42 42 LEU HB2 H 1 1.840 0.020 . 2 . . . . 42 LEU HB2 . 18101 1 480 . 1 1 42 42 LEU HB3 H 1 1.620 0.020 . 2 . . . . 42 LEU HB3 . 18101 1 481 . 1 1 42 42 LEU HG H 1 1.870 0.020 . 1 . . . . 42 LEU HG . 18101 1 482 . 1 1 42 42 LEU HD11 H 1 0.550 0.020 . 2 . . . . 42 LEU HD1 . 18101 1 483 . 1 1 42 42 LEU HD12 H 1 0.550 0.020 . 2 . . . . 42 LEU HD1 . 18101 1 484 . 1 1 42 42 LEU HD13 H 1 0.550 0.020 . 2 . . . . 42 LEU HD1 . 18101 1 485 . 1 1 42 42 LEU HD21 H 1 0.830 0.020 . 2 . . . . 42 LEU HD2 . 18101 1 486 . 1 1 42 42 LEU HD22 H 1 0.830 0.020 . 2 . . . . 42 LEU HD2 . 18101 1 487 . 1 1 42 42 LEU HD23 H 1 0.830 0.020 . 2 . . . . 42 LEU HD2 . 18101 1 488 . 1 1 42 42 LEU C C 13 180.356 0.20 . 1 . . . . 42 LEU C . 18101 1 489 . 1 1 42 42 LEU CA C 13 53.000 0.200 . 1 . . . . 42 LEU CA . 18101 1 490 . 1 1 42 42 LEU CB C 13 43.900 0.200 . 1 . . . . 42 LEU CB . 18101 1 491 . 1 1 42 42 LEU CG C 13 26.300 0.200 . 1 . . . . 42 LEU CG . 18101 1 492 . 1 1 42 42 LEU CD1 C 13 24.000 0.200 . 2 . . . . 42 LEU CD1 . 18101 1 493 . 1 1 42 42 LEU CD2 C 13 25.100 0.200 . 2 . . . . 42 LEU CD2 . 18101 1 494 . 1 1 42 42 LEU N N 15 119.213 0.20 . 1 . . . . 42 LEU N . 18101 1 495 . 1 1 43 43 SER H H 1 8.280 0.02 . 1 . . . . 43 SER H . 18101 1 496 . 1 1 43 43 SER HA H 1 4.020 0.020 . 1 . . . . 43 SER HA . 18101 1 497 . 1 1 43 43 SER HB2 H 1 3.950 0.020 . 2 . . . . 43 SER HB2 . 18101 1 498 . 1 1 43 43 SER HB3 H 1 4.050 0.020 . 2 . . . . 43 SER HB3 . 18101 1 499 . 1 1 43 43 SER C C 13 177.657 0.20 . 1 . . . . 43 SER C . 18101 1 500 . 1 1 43 43 SER CA C 13 62.100 0.200 . 1 . . . . 43 SER CA . 18101 1 501 . 1 1 43 43 SER CB C 13 63.100 0.200 . 1 . . . . 43 SER CB . 18101 1 502 . 1 1 43 43 SER N N 15 117.175 0.20 . 1 . . . . 43 SER N . 18101 1 503 . 1 1 44 44 GLY H H 1 8.874 0.02 . 1 . . . . 44 GLY H . 18101 1 504 . 1 1 44 44 GLY HA2 H 1 3.910 0.020 . 2 . . . . 44 GLY HA2 . 18101 1 505 . 1 1 44 44 GLY HA3 H 1 3.890 0.020 . 2 . . . . 44 GLY HA3 . 18101 1 506 . 1 1 44 44 GLY C C 13 176.792 0.20 . 1 . . . . 44 GLY C . 18101 1 507 . 1 1 44 44 GLY CA C 13 46.500 0.200 . 1 . . . . 44 GLY CA . 18101 1 508 . 1 1 44 44 GLY N N 15 111.917 0.20 . 1 . . . . 44 GLY N . 18101 1 509 . 1 1 45 45 PHE H H 1 7.958 0.02 . 1 . . . . 45 PHE H . 18101 1 510 . 1 1 45 45 PHE HA H 1 4.350 0.020 . 1 . . . . 45 PHE HA . 18101 1 511 . 1 1 45 45 PHE HB2 H 1 3.180 0.020 . 2 . . . . 45 PHE HB2 . 18101 1 512 . 1 1 45 45 PHE HB3 H 1 3.160 0.020 . 2 . . . . 45 PHE HB3 . 18101 1 513 . 1 1 45 45 PHE C C 13 177.923 0.20 . 1 . . . . 45 PHE C . 18101 1 514 . 1 1 45 45 PHE CA C 13 60.200 0.200 . 1 . . . . 45 PHE CA . 18101 1 515 . 1 1 45 45 PHE CB C 13 39.900 0.200 . 1 . . . . 45 PHE CB . 18101 1 516 . 1 1 45 45 PHE N N 15 122.846 0.20 . 1 . . . . 45 PHE N . 18101 1 517 . 1 1 46 46 LEU H H 1 8.199 0.02 . 1 . . . . 46 LEU H . 18101 1 518 . 1 1 46 46 LEU HA H 1 3.870 0.020 . 1 . . . . 46 LEU HA . 18101 1 519 . 1 1 46 46 LEU HB2 H 1 1.610 0.020 . 2 . . . . 46 LEU HB2 . 18101 1 520 . 1 1 46 46 LEU HB3 H 1 1.550 0.020 . 2 . . . . 46 LEU HB3 . 18101 1 521 . 1 1 46 46 LEU HG H 1 1.180 0.020 . 1 . . . . 46 LEU HG . 18101 1 522 . 1 1 46 46 LEU HD11 H 1 0.840 0.020 . 2 . . . . 46 LEU HD1 . 18101 1 523 . 1 1 46 46 LEU HD12 H 1 0.840 0.020 . 2 . . . . 46 LEU HD1 . 18101 1 524 . 1 1 46 46 LEU HD13 H 1 0.840 0.020 . 2 . . . . 46 LEU HD1 . 18101 1 525 . 1 1 46 46 LEU HD21 H 1 0.650 0.020 . 2 . . . . 46 LEU HD2 . 18101 1 526 . 1 1 46 46 LEU HD22 H 1 0.650 0.020 . 2 . . . . 46 LEU HD2 . 18101 1 527 . 1 1 46 46 LEU HD23 H 1 0.650 0.020 . 2 . . . . 46 LEU HD2 . 18101 1 528 . 1 1 46 46 LEU C C 13 179.430 0.20 . 1 . . . . 46 LEU C . 18101 1 529 . 1 1 46 46 LEU CA C 13 56.900 0.200 . 1 . . . . 46 LEU CA . 18101 1 530 . 1 1 46 46 LEU CB C 13 42.000 0.200 . 1 . . . . 46 LEU CB . 18101 1 531 . 1 1 46 46 LEU CG C 13 24.300 0.200 . 1 . . . . 46 LEU CG . 18101 1 532 . 1 1 46 46 LEU CD1 C 13 25.000 0.200 . 2 . . . . 46 LEU CD1 . 18101 1 533 . 1 1 46 46 LEU CD2 C 13 25.500 0.200 . 2 . . . . 46 LEU CD2 . 18101 1 534 . 1 1 46 46 LEU N N 15 119.890 0.20 . 1 . . . . 46 LEU N . 18101 1 535 . 1 1 47 47 ASP H H 1 8.386 0.02 . 1 . . . . 47 ASP H . 18101 1 536 . 1 1 47 47 ASP HA H 1 4.370 0.020 . 1 . . . . 47 ASP HA . 18101 1 537 . 1 1 47 47 ASP HB2 H 1 2.630 0.020 . 2 . . . . 47 ASP HB2 . 18101 1 538 . 1 1 47 47 ASP HB3 H 1 2.650 0.020 . 2 . . . . 47 ASP HB3 . 18101 1 539 . 1 1 47 47 ASP C C 13 177.909 0.20 . 1 . . . . 47 ASP C . 18101 1 540 . 1 1 47 47 ASP CA C 13 56.000 0.200 . 1 . . . . 47 ASP CA . 18101 1 541 . 1 1 47 47 ASP CB C 13 41.000 0.200 . 1 . . . . 47 ASP CB . 18101 1 542 . 1 1 47 47 ASP N N 15 120.323 0.20 . 1 . . . . 47 ASP N . 18101 1 543 . 1 1 48 48 ALA H H 1 7.564 0.02 . 1 . . . . 48 ALA H . 18101 1 544 . 1 1 48 48 ALA HA H 1 4.170 0.020 . 1 . . . . 48 ALA HA . 18101 1 545 . 1 1 48 48 ALA HB1 H 1 1.370 0.020 . 1 . . . . 48 ALA HB . 18101 1 546 . 1 1 48 48 ALA HB2 H 1 1.370 0.020 . 1 . . . . 48 ALA HB . 18101 1 547 . 1 1 48 48 ALA HB3 H 1 1.370 0.020 . 1 . . . . 48 ALA HB . 18101 1 548 . 1 1 48 48 ALA C C 13 178.830 0.20 . 1 . . . . 48 ALA C . 18101 1 549 . 1 1 48 48 ALA CA C 13 53.200 0.200 . 1 . . . . 48 ALA CA . 18101 1 550 . 1 1 48 48 ALA CB C 13 18.900 0.200 . 1 . . . . 48 ALA CB . 18101 1 551 . 1 1 48 48 ALA N N 15 121.188 0.20 . 1 . . . . 48 ALA N . 18101 1 552 . 1 1 49 49 GLN H H 1 7.598 0.02 . 1 . . . . 49 GLN H . 18101 1 553 . 1 1 49 49 GLN HA H 1 4.120 0.020 . 1 . . . . 49 GLN HA . 18101 1 554 . 1 1 49 49 GLN HB2 H 1 1.920 0.020 . 2 . . . . 49 GLN HB2 . 18101 1 555 . 1 1 49 49 GLN HB3 H 1 2.090 0.020 . 2 . . . . 49 GLN HB3 . 18101 1 556 . 1 1 49 49 GLN HG2 H 1 2.270 0.020 . 2 . . . . 49 GLN HG2 . 18101 1 557 . 1 1 49 49 GLN HG3 H 1 2.130 0.020 . 2 . . . . 49 GLN HG3 . 18101 1 558 . 1 1 49 49 GLN C C 13 176.895 0.20 . 1 . . . . 49 GLN C . 18101 1 559 . 1 1 49 49 GLN CA C 13 55.600 0.200 . 1 . . . . 49 GLN CA . 18101 1 560 . 1 1 49 49 GLN CB C 13 28.600 0.200 . 1 . . . . 49 GLN CB . 18101 1 561 . 1 1 49 49 GLN CG C 13 33.200 0.200 . 1 . . . . 49 GLN CG . 18101 1 562 . 1 1 49 49 GLN N N 15 116.675 0.20 . 1 . . . . 49 GLN N . 18101 1 563 . 1 1 50 50 LYS H H 1 7.934 0.02 . 1 . . . . 50 LYS H . 18101 1 564 . 1 1 50 50 LYS HA H 1 4.120 0.020 . 1 . . . . 50 LYS HA . 18101 1 565 . 1 1 50 50 LYS HB2 H 1 1.760 0.020 . 2 . . . . 50 LYS HB2 . 18101 1 566 . 1 1 50 50 LYS HB3 H 1 1.780 0.020 . 2 . . . . 50 LYS HB3 . 18101 1 567 . 1 1 50 50 LYS HG2 H 1 1.350 0.020 . 2 . . . . 50 LYS HG2 . 18101 1 568 . 1 1 50 50 LYS HG3 H 1 1.380 0.020 . 2 . . . . 50 LYS HG3 . 18101 1 569 . 1 1 50 50 LYS HD2 H 1 1.630 0.020 . 2 . . . . 50 LYS HD2 . 18101 1 570 . 1 1 50 50 LYS HD3 H 1 1.510 0.020 . 2 . . . . 50 LYS HD3 . 18101 1 571 . 1 1 50 50 LYS HE2 H 1 2.960 0.020 . 2 . . . . 50 LYS HE2 . 18101 1 572 . 1 1 50 50 LYS HE3 H 1 2.930 0.020 . 2 . . . . 50 LYS HE3 . 18101 1 573 . 1 1 50 50 LYS C C 13 177.029 0.20 . 1 . . . . 50 LYS C . 18101 1 574 . 1 1 50 50 LYS CA C 13 57.000 0.200 . 1 . . . . 50 LYS CA . 18101 1 575 . 1 1 50 50 LYS CB C 13 32.300 0.200 . 1 . . . . 50 LYS CB . 18101 1 576 . 1 1 50 50 LYS CG C 13 25.000 0.200 . 1 . . . . 50 LYS CG . 18101 1 577 . 1 1 50 50 LYS CD C 13 29.200 0.200 . 1 . . . . 50 LYS CD . 18101 1 578 . 1 1 50 50 LYS CE C 13 42.300 0.200 . 1 . . . . 50 LYS CE . 18101 1 579 . 1 1 50 50 LYS N N 15 119.645 0.20 . 1 . . . . 50 LYS N . 18101 1 580 . 1 1 51 51 ASP H H 1 7.992 0.02 . 1 . . . . 51 ASP H . 18101 1 581 . 1 1 51 51 ASP HA H 1 4.650 0.020 . 1 . . . . 51 ASP HA . 18101 1 582 . 1 1 51 51 ASP HB2 H 1 2.530 0.020 . 2 . . . . 51 ASP HB2 . 18101 1 583 . 1 1 51 51 ASP HB3 H 1 2.510 0.020 . 2 . . . . 51 ASP HB3 . 18101 1 584 . 1 1 51 51 ASP C C 13 179.734 0.20 . 1 . . . . 51 ASP C . 18101 1 585 . 1 1 51 51 ASP CA C 13 54.100 0.200 . 1 . . . . 51 ASP CA . 18101 1 586 . 1 1 51 51 ASP CB C 13 42.300 0.200 . 1 . . . . 51 ASP CB . 18101 1 587 . 1 1 51 51 ASP N N 15 118.953 0.20 . 1 . . . . 51 ASP N . 18101 1 588 . 1 1 52 52 VAL H H 1 8.326 0.02 . 1 . . . . 52 VAL H . 18101 1 589 . 1 1 52 52 VAL HA H 1 3.980 0.020 . 1 . . . . 52 VAL HA . 18101 1 590 . 1 1 52 52 VAL HB H 1 2.120 0.020 . 1 . . . . 52 VAL HB . 18101 1 591 . 1 1 52 52 VAL HG11 H 1 0.930 0.020 . 2 . . . . 52 VAL HG1 . 18101 1 592 . 1 1 52 52 VAL HG12 H 1 0.930 0.020 . 2 . . . . 52 VAL HG1 . 18101 1 593 . 1 1 52 52 VAL HG13 H 1 0.930 0.020 . 2 . . . . 52 VAL HG1 . 18101 1 594 . 1 1 52 52 VAL HG21 H 1 0.950 0.020 . 2 . . . . 52 VAL HG2 . 18101 1 595 . 1 1 52 52 VAL HG22 H 1 0.950 0.020 . 2 . . . . 52 VAL HG2 . 18101 1 596 . 1 1 52 52 VAL HG23 H 1 0.950 0.020 . 2 . . . . 52 VAL HG2 . 18101 1 597 . 1 1 52 52 VAL C C 13 177.197 0.20 . 1 . . . . 52 VAL C . 18101 1 598 . 1 1 52 52 VAL CA C 13 64.100 0.200 . 1 . . . . 52 VAL CA . 18101 1 599 . 1 1 52 52 VAL CB C 13 32.200 0.200 . 1 . . . . 52 VAL CB . 18101 1 600 . 1 1 52 52 VAL CG1 C 13 20.900 0.200 . 2 . . . . 52 VAL CG1 . 18101 1 601 . 1 1 52 52 VAL CG2 C 13 20.700 0.200 . 2 . . . . 52 VAL CG2 . 18101 1 602 . 1 1 52 52 VAL N N 15 122.125 0.20 . 1 . . . . 52 VAL N . 18101 1 603 . 1 1 53 53 ASP H H 1 8.463 0.02 . 1 . . . . 53 ASP H . 18101 1 604 . 1 1 53 53 ASP HA H 1 4.830 0.020 . 1 . . . . 53 ASP HA . 18101 1 605 . 1 1 53 53 ASP HB2 H 1 2.570 0.020 . 2 . . . . 53 ASP HB2 . 18101 1 606 . 1 1 53 53 ASP HB3 H 1 2.870 0.020 . 2 . . . . 53 ASP HB3 . 18101 1 607 . 1 1 53 53 ASP C C 13 177.350 0.20 . 1 . . . . 53 ASP C . 18101 1 608 . 1 1 53 53 ASP CA C 13 54.000 0.200 . 1 . . . . 53 ASP CA . 18101 1 609 . 1 1 53 53 ASP CB C 13 40.600 0.200 . 1 . . . . 53 ASP CB . 18101 1 610 . 1 1 53 53 ASP N N 15 121.524 0.20 . 1 . . . . 53 ASP N . 18101 1 611 . 1 1 54 54 ALA H H 1 7.737 0.02 . 1 . . . . 54 ALA H . 18101 1 612 . 1 1 54 54 ALA HA H 1 3.930 0.020 . 1 . . . . 54 ALA HA . 18101 1 613 . 1 1 54 54 ALA HB1 H 1 1.430 0.020 . 1 . . . . 54 ALA HB . 18101 1 614 . 1 1 54 54 ALA HB2 H 1 1.430 0.020 . 1 . . . . 54 ALA HB . 18101 1 615 . 1 1 54 54 ALA HB3 H 1 1.430 0.020 . 1 . . . . 54 ALA HB . 18101 1 616 . 1 1 54 54 ALA C C 13 180.207 0.20 . 1 . . . . 54 ALA C . 18101 1 617 . 1 1 54 54 ALA CA C 13 55.700 0.200 . 1 . . . . 54 ALA CA . 18101 1 618 . 1 1 54 54 ALA CB C 13 19.500 0.200 . 1 . . . . 54 ALA CB . 18101 1 619 . 1 1 54 54 ALA N N 15 123.663 0.20 . 1 . . . . 54 ALA N . 18101 1 620 . 1 1 55 55 VAL H H 1 8.384 0.02 . 1 . . . . 55 VAL H . 18101 1 621 . 1 1 55 55 VAL HA H 1 3.430 0.020 . 1 . . . . 55 VAL HA . 18101 1 622 . 1 1 55 55 VAL HB H 1 2.080 0.020 . 1 . . . . 55 VAL HB . 18101 1 623 . 1 1 55 55 VAL HG11 H 1 0.880 0.020 . 2 . . . . 55 VAL HG1 . 18101 1 624 . 1 1 55 55 VAL HG12 H 1 0.880 0.020 . 2 . . . . 55 VAL HG1 . 18101 1 625 . 1 1 55 55 VAL HG13 H 1 0.880 0.020 . 2 . . . . 55 VAL HG1 . 18101 1 626 . 1 1 55 55 VAL HG21 H 1 0.920 0.020 . 2 . . . . 55 VAL HG2 . 18101 1 627 . 1 1 55 55 VAL HG22 H 1 0.920 0.020 . 2 . . . . 55 VAL HG2 . 18101 1 628 . 1 1 55 55 VAL HG23 H 1 0.920 0.020 . 2 . . . . 55 VAL HG2 . 18101 1 629 . 1 1 55 55 VAL C C 13 177.406 0.20 . 1 . . . . 55 VAL C . 18101 1 630 . 1 1 55 55 VAL CA C 13 66.600 0.200 . 1 . . . . 55 VAL CA . 18101 1 631 . 1 1 55 55 VAL CB C 13 31.200 0.200 . 1 . . . . 55 VAL CB . 18101 1 632 . 1 1 55 55 VAL CG1 C 13 21.600 0.200 . 2 . . . . 55 VAL CG1 . 18101 1 633 . 1 1 55 55 VAL CG2 C 13 20.900 0.200 . 2 . . . . 55 VAL CG2 . 18101 1 634 . 1 1 55 55 VAL N N 15 116.430 0.20 . 1 . . . . 55 VAL N . 18101 1 635 . 1 1 56 56 ASP H H 1 7.664 0.02 . 1 . . . . 56 ASP H . 18101 1 636 . 1 1 56 56 ASP HA H 1 4.170 0.020 . 1 . . . . 56 ASP HA . 18101 1 637 . 1 1 56 56 ASP HB2 H 1 2.600 0.020 . 2 . . . . 56 ASP HB2 . 18101 1 638 . 1 1 56 56 ASP HB3 H 1 2.570 0.020 . 2 . . . . 56 ASP HB3 . 18101 1 639 . 1 1 56 56 ASP C C 13 179.458 0.20 . 1 . . . . 56 ASP C . 18101 1 640 . 1 1 56 56 ASP CA C 13 57.900 0.200 . 1 . . . . 56 ASP CA . 18101 1 641 . 1 1 56 56 ASP CB C 13 41.000 0.200 . 1 . . . . 56 ASP CB . 18101 1 642 . 1 1 56 56 ASP N N 15 120.860 0.20 . 1 . . . . 56 ASP N . 18101 1 643 . 1 1 57 57 LYS H H 1 7.639 0.02 . 1 . . . . 57 LYS H . 18101 1 644 . 1 1 57 57 LYS HA H 1 3.940 0.020 . 1 . . . . 57 LYS HA . 18101 1 645 . 1 1 57 57 LYS HB2 H 1 1.880 0.020 . 2 . . . . 57 LYS HB2 . 18101 1 646 . 1 1 57 57 LYS HB3 H 1 1.880 0.020 . 2 . . . . 57 LYS HB3 . 18101 1 647 . 1 1 57 57 LYS HG2 H 1 1.340 0.020 . 2 . . . . 57 LYS HG2 . 18101 1 648 . 1 1 57 57 LYS HG3 H 1 1.490 0.020 . 2 . . . . 57 LYS HG3 . 18101 1 649 . 1 1 57 57 LYS HD2 H 1 1.630 0.020 . 2 . . . . 57 LYS HD2 . 18101 1 650 . 1 1 57 57 LYS HD3 H 1 1.590 0.020 . 2 . . . . 57 LYS HD3 . 18101 1 651 . 1 1 57 57 LYS HE2 H 1 2.960 0.020 . 2 . . . . 57 LYS HE2 . 18101 1 652 . 1 1 57 57 LYS HE3 H 1 2.930 0.020 . 2 . . . . 57 LYS HE3 . 18101 1 653 . 1 1 57 57 LYS C C 13 179.821 0.20 . 1 . . . . 57 LYS C . 18101 1 654 . 1 1 57 57 LYS CA C 13 59.800 0.200 . 1 . . . . 57 LYS CA . 18101 1 655 . 1 1 57 57 LYS CB C 13 32.600 0.200 . 1 . . . . 57 LYS CB . 18101 1 656 . 1 1 57 57 LYS CG C 13 25.500 0.200 . 1 . . . . 57 LYS CG . 18101 1 657 . 1 1 57 57 LYS CD C 13 29.600 0.200 . 1 . . . . 57 LYS CD . 18101 1 658 . 1 1 57 57 LYS CE C 13 42.300 0.200 . 1 . . . . 57 LYS CE . 18101 1 659 . 1 1 57 57 LYS N N 15 119.674 0.20 . 1 . . . . 57 LYS N . 18101 1 660 . 1 1 58 58 VAL H H 1 7.987 0.02 . 1 . . . . 58 VAL H . 18101 1 661 . 1 1 58 58 VAL HA H 1 3.690 0.020 . 1 . . . . 58 VAL HA . 18101 1 662 . 1 1 58 58 VAL HB H 1 2.070 0.020 . 1 . . . . 58 VAL HB . 18101 1 663 . 1 1 58 58 VAL HG11 H 1 1.030 0.020 . 2 . . . . 58 VAL HG1 . 18101 1 664 . 1 1 58 58 VAL HG12 H 1 1.030 0.020 . 2 . . . . 58 VAL HG1 . 18101 1 665 . 1 1 58 58 VAL HG13 H 1 1.030 0.020 . 2 . . . . 58 VAL HG1 . 18101 1 666 . 1 1 58 58 VAL HG21 H 1 0.980 0.020 . 2 . . . . 58 VAL HG2 . 18101 1 667 . 1 1 58 58 VAL HG22 H 1 0.980 0.020 . 2 . . . . 58 VAL HG2 . 18101 1 668 . 1 1 58 58 VAL HG23 H 1 0.980 0.020 . 2 . . . . 58 VAL HG2 . 18101 1 669 . 1 1 58 58 VAL C C 13 178.467 0.20 . 1 . . . . 58 VAL C . 18101 1 670 . 1 1 58 58 VAL CA C 13 66.400 0.200 . 1 . . . . 58 VAL CA . 18101 1 671 . 1 1 58 58 VAL CB C 13 32.000 0.200 . 1 . . . . 58 VAL CB . 18101 1 672 . 1 1 58 58 VAL CG1 C 13 21.500 0.200 . 2 . . . . 58 VAL CG1 . 18101 1 673 . 1 1 58 58 VAL CG2 C 13 22.400 0.200 . 2 . . . . 58 VAL CG2 . 18101 1 674 . 1 1 58 58 VAL N N 15 120.419 0.20 . 1 . . . . 58 VAL N . 18101 1 675 . 1 1 59 59 MET H H 1 8.465 0.02 . 1 . . . . 59 MET H . 18101 1 676 . 1 1 59 59 MET HA H 1 4.170 0.020 . 1 . . . . 59 MET HA . 18101 1 677 . 1 1 59 59 MET HB2 H 1 2.180 0.020 . 2 . . . . 59 MET HB2 . 18101 1 678 . 1 1 59 59 MET HB3 H 1 1.370 0.020 . 2 . . . . 59 MET HB3 . 18101 1 679 . 1 1 59 59 MET HG2 H 1 2.470 0.020 . 2 . . . . 59 MET HG2 . 18101 1 680 . 1 1 59 59 MET HG3 H 1 1.910 0.020 . 2 . . . . 59 MET HG3 . 18101 1 681 . 1 1 59 59 MET C C 13 177.867 0.20 . 1 . . . . 59 MET C . 18101 1 682 . 1 1 59 59 MET CA C 13 53.200 0.200 . 1 . . . . 59 MET CA . 18101 1 683 . 1 1 59 59 MET CB C 13 31.400 0.200 . 1 . . . . 59 MET CB . 18101 1 684 . 1 1 59 59 MET CG C 13 32.560 0.200 . 1 . . . . 59 MET CG . 18101 1 685 . 1 1 59 59 MET N N 15 118.953 0.20 . 1 . . . . 59 MET N . 18101 1 686 . 1 1 60 60 LYS H H 1 7.627 0.02 . 1 . . . . 60 LYS H . 18101 1 687 . 1 1 60 60 LYS HA H 1 3.970 0.020 . 1 . . . . 60 LYS HA . 18101 1 688 . 1 1 60 60 LYS HB2 H 1 1.890 0.020 . 2 . . . . 60 LYS HB2 . 18101 1 689 . 1 1 60 60 LYS HB3 H 1 1.870 0.020 . 2 . . . . 60 LYS HB3 . 18101 1 690 . 1 1 60 60 LYS HG2 H 1 1.420 0.020 . 2 . . . . 60 LYS HG2 . 18101 1 691 . 1 1 60 60 LYS HG3 H 1 1.490 0.020 . 2 . . . . 60 LYS HG3 . 18101 1 692 . 1 1 60 60 LYS HD2 H 1 1.630 0.020 . 2 . . . . 60 LYS HD2 . 18101 1 693 . 1 1 60 60 LYS HD3 H 1 1.610 0.020 . 2 . . . . 60 LYS HD3 . 18101 1 694 . 1 1 60 60 LYS HE2 H 1 2.960 0.020 . 2 . . . . 60 LYS HE2 . 18101 1 695 . 1 1 60 60 LYS HE3 H 1 2.930 0.020 . 2 . . . . 60 LYS HE3 . 18101 1 696 . 1 1 60 60 LYS C C 13 179.932 0.20 . 1 . . . . 60 LYS C . 18101 1 697 . 1 1 60 60 LYS CA C 13 59.200 0.200 . 1 . . . . 60 LYS CA . 18101 1 698 . 1 1 60 60 LYS CB C 13 32.500 0.200 . 1 . . . . 60 LYS CB . 18101 1 699 . 1 1 60 60 LYS CG C 13 25.400 0.200 . 1 . . . . 60 LYS CG . 18101 1 700 . 1 1 60 60 LYS CD C 13 29.300 0.200 . 1 . . . . 60 LYS CD . 18101 1 701 . 1 1 60 60 LYS CE C 13 42.300 0.200 . 1 . . . . 60 LYS CE . 18101 1 702 . 1 1 60 60 LYS N N 15 116.503 0.20 . 1 . . . . 60 LYS N . 18101 1 703 . 1 1 61 61 GLU H H 1 7.612 0.02 . 1 . . . . 61 GLU H . 18101 1 704 . 1 1 61 61 GLU HA H 1 4.050 0.020 . 1 . . . . 61 GLU HA . 18101 1 705 . 1 1 61 61 GLU HB2 H 1 2.070 0.020 . 2 . . . . 61 GLU HB2 . 18101 1 706 . 1 1 61 61 GLU HB3 H 1 2.030 0.020 . 2 . . . . 61 GLU HB3 . 18101 1 707 . 1 1 61 61 GLU HG2 H 1 2.300 0.020 . 2 . . . . 61 GLU HG2 . 18101 1 708 . 1 1 61 61 GLU HG3 H 1 2.280 0.020 . 2 . . . . 61 GLU HG3 . 18101 1 709 . 1 1 61 61 GLU C C 13 179.267 0.20 . 1 . . . . 61 GLU C . 18101 1 710 . 1 1 61 61 GLU CA C 13 58.400 0.200 . 1 . . . . 61 GLU CA . 18101 1 711 . 1 1 61 61 GLU CB C 13 30.000 0.200 . 1 . . . . 61 GLU CB . 18101 1 712 . 1 1 61 61 GLU CG C 13 36.100 0.200 . 1 . . . . 61 GLU CG . 18101 1 713 . 1 1 61 61 GLU N N 15 117.512 0.20 . 1 . . . . 61 GLU N . 18101 1 714 . 1 1 62 62 LEU H H 1 8.091 0.02 . 1 . . . . 62 LEU H . 18101 1 715 . 1 1 62 62 LEU HA H 1 4.380 0.020 . 1 . . . . 62 LEU HA . 18101 1 716 . 1 1 62 62 LEU HB2 H 1 1.350 0.020 . 2 . . . . 62 LEU HB2 . 18101 1 717 . 1 1 62 62 LEU HB3 H 1 1.710 0.020 . 2 . . . . 62 LEU HB3 . 18101 1 718 . 1 1 62 62 LEU HG H 1 1.490 0.020 . 1 . . . . 62 LEU HG . 18101 1 719 . 1 1 62 62 LEU HD11 H 1 0.860 0.020 . 2 . . . . 62 LEU HD1 . 18101 1 720 . 1 1 62 62 LEU HD12 H 1 0.860 0.020 . 2 . . . . 62 LEU HD1 . 18101 1 721 . 1 1 62 62 LEU HD13 H 1 0.860 0.020 . 2 . . . . 62 LEU HD1 . 18101 1 722 . 1 1 62 62 LEU HD21 H 1 0.860 0.020 . 2 . . . . 62 LEU HD2 . 18101 1 723 . 1 1 62 62 LEU HD22 H 1 0.860 0.020 . 2 . . . . 62 LEU HD2 . 18101 1 724 . 1 1 62 62 LEU HD23 H 1 0.860 0.020 . 2 . . . . 62 LEU HD2 . 18101 1 725 . 1 1 62 62 LEU C C 13 179.974 0.20 . 1 . . . . 62 LEU C . 18101 1 726 . 1 1 62 62 LEU CA C 13 55.500 0.200 . 1 . . . . 62 LEU CA . 18101 1 727 . 1 1 62 62 LEU CB C 13 44.200 0.200 . 1 . . . . 62 LEU CB . 18101 1 728 . 1 1 62 62 LEU CG C 13 27.300 0.200 . 1 . . . . 62 LEU CG . 18101 1 729 . 1 1 62 62 LEU CD1 C 13 27.100 0.200 . 2 . . . . 62 LEU CD1 . 18101 1 730 . 1 1 62 62 LEU CD2 C 13 22.500 0.200 . 2 . . . . 62 LEU CD2 . 18101 1 731 . 1 1 62 62 LEU N N 15 116.334 0.20 . 1 . . . . 62 LEU N . 18101 1 732 . 1 1 63 63 ASP H H 1 8.079 0.02 . 1 . . . . 63 ASP H . 18101 1 733 . 1 1 63 63 ASP HA H 1 4.710 0.020 . 1 . . . . 63 ASP HA . 18101 1 734 . 1 1 63 63 ASP HB2 H 1 2.410 0.020 . 2 . . . . 63 ASP HB2 . 18101 1 735 . 1 1 63 63 ASP HB3 H 1 2.830 0.020 . 2 . . . . 63 ASP HB3 . 18101 1 736 . 1 1 63 63 ASP C C 13 177.516 0.20 . 1 . . . . 63 ASP C . 18101 1 737 . 1 1 63 63 ASP CA C 13 53.700 0.200 . 1 . . . . 63 ASP CA . 18101 1 738 . 1 1 63 63 ASP CB C 13 39.000 0.200 . 1 . . . . 63 ASP CB . 18101 1 739 . 1 1 63 63 ASP N N 15 117.311 0.20 . 1 . . . . 63 ASP N . 18101 1 740 . 1 1 64 64 GLU H H 1 8.350 0.02 . 1 . . . . 64 GLU H . 18101 1 741 . 1 1 64 64 GLU HA H 1 4.070 0.020 . 1 . . . . 64 GLU HA . 18101 1 742 . 1 1 64 64 GLU HB2 H 1 2.090 0.020 . 2 . . . . 64 GLU HB2 . 18101 1 743 . 1 1 64 64 GLU HB3 H 1 2.110 0.020 . 2 . . . . 64 GLU HB3 . 18101 1 744 . 1 1 64 64 GLU HG2 H 1 2.350 0.020 . 2 . . . . 64 GLU HG2 . 18101 1 745 . 1 1 64 64 GLU HG3 H 1 2.390 0.020 . 2 . . . . 64 GLU HG3 . 18101 1 746 . 1 1 64 64 GLU C C 13 178.537 0.20 . 1 . . . . 64 GLU C . 18101 1 747 . 1 1 64 64 GLU CA C 13 58.800 0.200 . 1 . . . . 64 GLU CA . 18101 1 748 . 1 1 64 64 GLU CB C 13 30.800 0.200 . 1 . . . . 64 GLU CB . 18101 1 749 . 1 1 64 64 GLU CG C 13 36.100 0.200 . 1 . . . . 64 GLU CG . 18101 1 750 . 1 1 64 64 GLU N N 15 129.718 0.20 . 1 . . . . 64 GLU N . 18101 1 751 . 1 1 65 65 ASN H H 1 7.975 0.02 . 1 . . . . 65 ASN H . 18101 1 752 . 1 1 65 65 ASN HA H 1 4.750 0.020 . 1 . . . . 65 ASN HA . 18101 1 753 . 1 1 65 65 ASN HB2 H 1 2.940 0.020 . 2 . . . . 65 ASN HB2 . 18101 1 754 . 1 1 65 65 ASN HB3 H 1 2.920 0.020 . 2 . . . . 65 ASN HB3 . 18101 1 755 . 1 1 65 65 ASN C C 13 177.476 0.20 . 1 . . . . 65 ASN C . 18101 1 756 . 1 1 65 65 ASN CA C 13 52.200 0.200 . 1 . . . . 65 ASN CA . 18101 1 757 . 1 1 65 65 ASN CB C 13 37.500 0.200 . 1 . . . . 65 ASN CB . 18101 1 758 . 1 1 65 65 ASN N N 15 112.970 0.20 . 1 . . . . 65 ASN N . 18101 1 759 . 1 1 66 66 GLY H H 1 7.533 0.02 . 1 . . . . 66 GLY H . 18101 1 760 . 1 1 66 66 GLY HA2 H 1 3.850 0.020 . 2 . . . . 66 GLY HA2 . 18101 1 761 . 1 1 66 66 GLY HA3 H 1 3.850 0.020 . 2 . . . . 66 GLY HA3 . 18101 1 762 . 1 1 66 66 GLY C C 13 175.913 0.20 . 1 . . . . 66 GLY C . 18101 1 763 . 1 1 66 66 GLY CA C 13 47.700 0.200 . 1 . . . . 66 GLY CA . 18101 1 764 . 1 1 66 66 GLY N N 15 109.559 0.20 . 1 . . . . 66 GLY N . 18101 1 765 . 1 1 67 67 ASP H H 1 8.103 0.02 . 1 . . . . 67 ASP H . 18101 1 766 . 1 1 67 67 ASP HA H 1 4.560 0.020 . 1 . . . . 67 ASP HA . 18101 1 767 . 1 1 67 67 ASP HB2 H 1 2.460 0.020 . 2 . . . . 67 ASP HB2 . 18101 1 768 . 1 1 67 67 ASP HB3 H 1 3.150 0.020 . 2 . . . . 67 ASP HB3 . 18101 1 769 . 1 1 67 67 ASP C C 13 178.331 0.20 . 1 . . . . 67 ASP C . 18101 1 770 . 1 1 67 67 ASP CA C 13 53.500 0.200 . 1 . . . . 67 ASP CA . 18101 1 771 . 1 1 67 67 ASP CB C 13 40.400 0.200 . 1 . . . . 67 ASP CB . 18101 1 772 . 1 1 67 67 ASP N N 15 119.650 0.20 . 1 . . . . 67 ASP N . 18101 1 773 . 1 1 68 68 GLY H H 1 10.298 0.02 . 1 . . . . 68 GLY H . 18101 1 774 . 1 1 68 68 GLY HA2 H 1 4.090 0.020 . 2 . . . . 68 GLY HA2 . 18101 1 775 . 1 1 68 68 GLY HA3 H 1 3.450 0.020 . 2 . . . . 68 GLY HA3 . 18101 1 776 . 1 1 68 68 GLY C C 13 173.568 0.20 . 1 . . . . 68 GLY C . 18101 1 777 . 1 1 68 68 GLY CA C 13 45.900 0.200 . 1 . . . . 68 GLY CA . 18101 1 778 . 1 1 68 68 GLY N N 15 113.696 0.20 . 1 . . . . 68 GLY N . 18101 1 779 . 1 1 69 69 GLU H H 1 7.709 0.02 . 1 . . . . 69 GLU H . 18101 1 780 . 1 1 69 69 GLU HA H 1 4.830 0.020 . 1 . . . . 69 GLU HA . 18101 1 781 . 1 1 69 69 GLU HB2 H 1 1.980 0.020 . 2 . . . . 69 GLU HB2 . 18101 1 782 . 1 1 69 69 GLU HB3 H 1 1.980 0.020 . 2 . . . . 69 GLU HB3 . 18101 1 783 . 1 1 69 69 GLU HG2 H 1 2.010 0.020 . 2 . . . . 69 GLU HG2 . 18101 1 784 . 1 1 69 69 GLU HG3 H 1 2.330 0.020 . 2 . . . . 69 GLU HG3 . 18101 1 785 . 1 1 69 69 GLU C C 13 176.192 0.20 . 1 . . . . 69 GLU C . 18101 1 786 . 1 1 69 69 GLU CA C 13 54.800 0.200 . 1 . . . . 69 GLU CA . 18101 1 787 . 1 1 69 69 GLU CB C 13 36.500 0.200 . 1 . . . . 69 GLU CB . 18101 1 788 . 1 1 69 69 GLU CG C 13 37.600 0.200 . 1 . . . . 69 GLU CG . 18101 1 789 . 1 1 69 69 GLU N N 15 117.368 0.20 . 1 . . . . 69 GLU N . 18101 1 790 . 1 1 70 70 VAL H H 1 9.388 0.02 . 1 . . . . 70 VAL H . 18101 1 791 . 1 1 70 70 VAL HA H 1 5.250 0.020 . 1 . . . . 70 VAL HA . 18101 1 792 . 1 1 70 70 VAL HB H 1 2.170 0.020 . 1 . . . . 70 VAL HB . 18101 1 793 . 1 1 70 70 VAL HG11 H 1 0.980 0.020 . 2 . . . . 70 VAL HG1 . 18101 1 794 . 1 1 70 70 VAL HG12 H 1 0.980 0.020 . 2 . . . . 70 VAL HG1 . 18101 1 795 . 1 1 70 70 VAL HG13 H 1 0.980 0.020 . 2 . . . . 70 VAL HG1 . 18101 1 796 . 1 1 70 70 VAL HG21 H 1 0.960 0.020 . 2 . . . . 70 VAL HG2 . 18101 1 797 . 1 1 70 70 VAL HG22 H 1 0.960 0.020 . 2 . . . . 70 VAL HG2 . 18101 1 798 . 1 1 70 70 VAL HG23 H 1 0.960 0.020 . 2 . . . . 70 VAL HG2 . 18101 1 799 . 1 1 70 70 VAL C C 13 176.932 0.20 . 1 . . . . 70 VAL C . 18101 1 800 . 1 1 70 70 VAL CA C 13 61.400 0.200 . 1 . . . . 70 VAL CA . 18101 1 801 . 1 1 70 70 VAL CB C 13 34.200 0.200 . 1 . . . . 70 VAL CB . 18101 1 802 . 1 1 70 70 VAL CG1 C 13 22.600 0.200 . 2 . . . . 70 VAL CG1 . 18101 1 803 . 1 1 70 70 VAL CG2 C 13 23.700 0.200 . 2 . . . . 70 VAL CG2 . 18101 1 804 . 1 1 70 70 VAL N N 15 125.465 0.20 . 1 . . . . 70 VAL N . 18101 1 805 . 1 1 71 71 ASP H H 1 9.095 0.02 . 1 . . . . 71 ASP H . 18101 1 806 . 1 1 71 71 ASP HA H 1 5.180 0.020 . 1 . . . . 71 ASP HA . 18101 1 807 . 1 1 71 71 ASP HB2 H 1 3.420 0.020 . 2 . . . . 71 ASP HB2 . 18101 1 808 . 1 1 71 71 ASP HB3 H 1 2.630 0.020 . 2 . . . . 71 ASP HB3 . 18101 1 809 . 1 1 71 71 ASP C C 13 175.941 0.20 . 1 . . . . 71 ASP C . 18101 1 810 . 1 1 71 71 ASP CA C 13 52.700 0.200 . 1 . . . . 71 ASP CA . 18101 1 811 . 1 1 71 71 ASP CB C 13 41.700 0.200 . 1 . . . . 71 ASP CB . 18101 1 812 . 1 1 71 71 ASP N N 15 129.550 0.20 . 1 . . . . 71 ASP N . 18101 1 813 . 1 1 72 72 PHE H H 1 8.963 0.02 . 1 . . . . 72 PHE H . 18101 1 814 . 1 1 72 72 PHE HA H 1 2.900 0.020 . 1 . . . . 72 PHE HA . 18101 1 815 . 1 1 72 72 PHE HB2 H 1 2.590 0.020 . 2 . . . . 72 PHE HB2 . 18101 1 816 . 1 1 72 72 PHE HB3 H 1 2.950 0.020 . 2 . . . . 72 PHE HB3 . 18101 1 817 . 1 1 72 72 PHE C C 13 177.552 0.20 . 1 . . . . 72 PHE C . 18101 1 818 . 1 1 72 72 PHE CA C 13 63.800 0.200 . 1 . . . . 72 PHE CA . 18101 1 819 . 1 1 72 72 PHE CB C 13 39.500 0.200 . 1 . . . . 72 PHE CB . 18101 1 820 . 1 1 72 72 PHE N N 15 118.713 0.20 . 1 . . . . 72 PHE N . 18101 1 821 . 1 1 73 73 GLN H H 1 8.052 0.02 . 1 . . . . 73 GLN H . 18101 1 822 . 1 1 73 73 GLN HA H 1 3.700 0.020 . 1 . . . . 73 GLN HA . 18101 1 823 . 1 1 73 73 GLN HB2 H 1 2.170 0.020 . 2 . . . . 73 GLN HB2 . 18101 1 824 . 1 1 73 73 GLN HB3 H 1 2.170 0.020 . 2 . . . . 73 GLN HB3 . 18101 1 825 . 1 1 73 73 GLN HG2 H 1 2.450 0.020 . 2 . . . . 73 GLN HG2 . 18101 1 826 . 1 1 73 73 GLN HG3 H 1 2.470 0.020 . 2 . . . . 73 GLN HG3 . 18101 1 827 . 1 1 73 73 GLN C C 13 179.123 0.20 . 1 . . . . 73 GLN C . 18101 1 828 . 1 1 73 73 GLN CA C 13 60.000 0.200 . 1 . . . . 73 GLN CA . 18101 1 829 . 1 1 73 73 GLN CB C 13 28.400 0.200 . 1 . . . . 73 GLN CB . 18101 1 830 . 1 1 73 73 GLN CG C 13 35.200 0.200 . 1 . . . . 73 GLN CG . 18101 1 831 . 1 1 73 73 GLN N N 15 117.295 0.20 . 1 . . . . 73 GLN N . 18101 1 832 . 1 1 74 74 GLU H H 1 8.321 0.02 . 1 . . . . 74 GLU H . 18101 1 833 . 1 1 74 74 GLU HA H 1 4.230 0.020 . 1 . . . . 74 GLU HA . 18101 1 834 . 1 1 74 74 GLU HB2 H 1 1.920 0.020 . 2 . . . . 74 GLU HB2 . 18101 1 835 . 1 1 74 74 GLU HB3 H 1 2.210 0.020 . 2 . . . . 74 GLU HB3 . 18101 1 836 . 1 1 74 74 GLU HG2 H 1 2.160 0.020 . 2 . . . . 74 GLU HG2 . 18101 1 837 . 1 1 74 74 GLU HG3 H 1 2.280 0.020 . 2 . . . . 74 GLU HG3 . 18101 1 838 . 1 1 74 74 GLU C C 13 178.997 0.20 . 1 . . . . 74 GLU C . 18101 1 839 . 1 1 74 74 GLU CA C 13 57.500 0.200 . 1 . . . . 74 GLU CA . 18101 1 840 . 1 1 74 74 GLU CB C 13 30.300 0.200 . 1 . . . . 74 GLU CB . 18101 1 841 . 1 1 74 74 GLU CG C 13 36.300 0.200 . 1 . . . . 74 GLU CG . 18101 1 842 . 1 1 74 74 GLU N N 15 120.587 0.20 . 1 . . . . 74 GLU N . 18101 1 843 . 1 1 75 75 TYR HA H 1 4.540 0.020 . 1 . . . . 75 TYR HA . 18101 1 844 . 1 1 75 75 TYR HB2 H 1 2.630 0.020 . 2 . . . . 75 TYR HB2 . 18101 1 845 . 1 1 75 75 TYR HB3 H 1 2.960 0.020 . 2 . . . . 75 TYR HB3 . 18101 1 846 . 1 1 75 75 TYR C C 13 179.932 0.20 . 1 . . . . 75 TYR C . 18101 1 847 . 1 1 75 75 TYR CA C 13 56.700 0.200 . 1 . . . . 75 TYR CA . 18101 1 848 . 1 1 75 75 TYR CB C 13 38.400 0.200 . 1 . . . . 75 TYR CB . 18101 1 849 . 1 1 76 76 VAL H H 1 8.097 0.02 . 1 . . . . 76 VAL H . 18101 1 850 . 1 1 76 76 VAL HA H 1 4.096 0.020 . 1 . . . . 76 VAL HA . 18101 1 851 . 1 1 76 76 VAL HB H 1 2.955 0.020 . 1 . . . . 76 VAL HB . 18101 1 852 . 1 1 76 76 VAL HG11 H 1 0.744 0.020 . 2 . . . . 76 VAL HG1 . 18101 1 853 . 1 1 76 76 VAL HG12 H 1 0.744 0.020 . 2 . . . . 76 VAL HG1 . 18101 1 854 . 1 1 76 76 VAL HG13 H 1 0.744 0.020 . 2 . . . . 76 VAL HG1 . 18101 1 855 . 1 1 76 76 VAL HG21 H 1 0.463 0.020 . 2 . . . . 76 VAL HG2 . 18101 1 856 . 1 1 76 76 VAL HG22 H 1 0.463 0.020 . 2 . . . . 76 VAL HG2 . 18101 1 857 . 1 1 76 76 VAL HG23 H 1 0.463 0.020 . 2 . . . . 76 VAL HG2 . 18101 1 858 . 1 1 76 76 VAL C C 13 177.602 0.20 . 1 . . . . 76 VAL C . 18101 1 859 . 1 1 76 76 VAL CA C 13 66.617 0.200 . 1 . . . . 76 VAL CA . 18101 1 860 . 1 1 76 76 VAL CB C 13 30.921 0.200 . 1 . . . . 76 VAL CB . 18101 1 861 . 1 1 76 76 VAL CG1 C 13 22.129 0.200 . 2 . . . . 76 VAL CG1 . 18101 1 862 . 1 1 76 76 VAL CG2 C 13 24.671 0.200 . 2 . . . . 76 VAL CG2 . 18101 1 863 . 1 1 76 76 VAL N N 15 121.467 0.20 . 1 . . . . 76 VAL N . 18101 1 864 . 1 1 77 77 VAL H H 1 7.103 0.02 . 1 . . . . 77 VAL H . 18101 1 865 . 1 1 77 77 VAL HA H 1 3.430 0.020 . 1 . . . . 77 VAL HA . 18101 1 866 . 1 1 77 77 VAL HB H 1 2.250 0.020 . 1 . . . . 77 VAL HB . 18101 1 867 . 1 1 77 77 VAL HG11 H 1 0.880 0.020 . 2 . . . . 77 VAL HG1 . 18101 1 868 . 1 1 77 77 VAL HG12 H 1 0.880 0.020 . 2 . . . . 77 VAL HG1 . 18101 1 869 . 1 1 77 77 VAL HG13 H 1 0.880 0.020 . 2 . . . . 77 VAL HG1 . 18101 1 870 . 1 1 77 77 VAL HG21 H 1 0.940 0.020 . 2 . . . . 77 VAL HG2 . 18101 1 871 . 1 1 77 77 VAL HG22 H 1 0.940 0.020 . 2 . . . . 77 VAL HG2 . 18101 1 872 . 1 1 77 77 VAL HG23 H 1 0.940 0.020 . 2 . . . . 77 VAL HG2 . 18101 1 873 . 1 1 77 77 VAL C C 13 179.723 0.20 . 1 . . . . 77 VAL C . 18101 1 874 . 1 1 77 77 VAL CA C 13 67.100 0.200 . 1 . . . . 77 VAL CA . 18101 1 875 . 1 1 77 77 VAL CB C 13 31.500 0.200 . 1 . . . . 77 VAL CB . 18101 1 876 . 1 1 77 77 VAL CG1 C 13 21.300 0.200 . 2 . . . . 77 VAL CG1 . 18101 1 877 . 1 1 77 77 VAL CG2 C 13 20.900 0.200 . 2 . . . . 77 VAL CG2 . 18101 1 878 . 1 1 77 77 VAL N N 15 120.443 0.20 . 1 . . . . 77 VAL N . 18101 1 879 . 1 1 78 78 LEU H H 1 6.819 0.02 . 1 . . . . 78 LEU H . 18101 1 880 . 1 1 78 78 LEU HA H 1 4.470 0.020 . 1 . . . . 78 LEU HA . 18101 1 881 . 1 1 78 78 LEU HB2 H 1 1.600 0.020 . 2 . . . . 78 LEU HB2 . 18101 1 882 . 1 1 78 78 LEU HB3 H 1 1.550 0.020 . 2 . . . . 78 LEU HB3 . 18101 1 883 . 1 1 78 78 LEU HG H 1 1.640 0.020 . 1 . . . . 78 LEU HG . 18101 1 884 . 1 1 78 78 LEU HD11 H 1 0.880 0.020 . 2 . . . . 78 LEU HD1 . 18101 1 885 . 1 1 78 78 LEU HD12 H 1 0.880 0.020 . 2 . . . . 78 LEU HD1 . 18101 1 886 . 1 1 78 78 LEU HD13 H 1 0.880 0.020 . 2 . . . . 78 LEU HD1 . 18101 1 887 . 1 1 78 78 LEU CA C 13 58.100 0.200 . 1 . . . . 78 LEU CA . 18101 1 888 . 1 1 78 78 LEU CB C 13 42.000 0.200 . 1 . . . . 78 LEU CB . 18101 1 889 . 1 1 78 78 LEU CG C 13 26.800 0.200 . 1 . . . . 78 LEU CG . 18101 1 890 . 1 1 78 78 LEU CD1 C 13 25.000 0.200 . 2 . . . . 78 LEU CD1 . 18101 1 891 . 1 1 78 78 LEU CD2 C 13 25.200 0.200 . 2 . . . . 78 LEU CD2 . 18101 1 892 . 1 1 78 78 LEU N N 15 120.996 0.20 . 1 . . . . 78 LEU N . 18101 1 893 . 1 1 79 79 VAL H H 1 7.512 0.02 . 1 . . . . 79 VAL H . 18101 1 894 . 1 1 79 79 VAL HA H 1 3.131 0.020 . 1 . . . . 79 VAL HA . 18101 1 895 . 1 1 79 79 VAL HB H 1 1.573 0.020 . 1 . . . . 79 VAL HB . 18101 1 896 . 1 1 79 79 VAL HG11 H 1 0.298 0.020 . 2 . . . . 79 VAL HG1 . 18101 1 897 . 1 1 79 79 VAL HG12 H 1 0.298 0.020 . 2 . . . . 79 VAL HG1 . 18101 1 898 . 1 1 79 79 VAL HG13 H 1 0.298 0.020 . 2 . . . . 79 VAL HG1 . 18101 1 899 . 1 1 79 79 VAL HG21 H 1 0.656 0.020 . 2 . . . . 79 VAL HG2 . 18101 1 900 . 1 1 79 79 VAL HG22 H 1 0.656 0.020 . 2 . . . . 79 VAL HG2 . 18101 1 901 . 1 1 79 79 VAL HG23 H 1 0.656 0.020 . 2 . . . . 79 VAL HG2 . 18101 1 902 . 1 1 79 79 VAL C C 13 180.197 0.20 . 1 . . . . 79 VAL C . 18101 1 903 . 1 1 79 79 VAL CA C 13 67.000 0.200 . 1 . . . . 79 VAL CA . 18101 1 904 . 1 1 79 79 VAL CB C 13 31.752 0.200 . 1 . . . . 79 VAL CB . 18101 1 905 . 1 1 79 79 VAL CG1 C 13 20.991 0.200 . 2 . . . . 79 VAL CG1 . 18101 1 906 . 1 1 79 79 VAL CG2 C 13 22.8086 0.200 . 2 . . . . 79 VAL CG2 . 18101 1 907 . 1 1 79 79 VAL N N 15 117.275 0.20 . 1 . . . . 79 VAL N . 18101 1 908 . 1 1 80 80 ALA H H 1 8.994 0.02 . 1 . . . . 80 ALA H . 18101 1 909 . 1 1 80 80 ALA HA H 1 3.660 0.020 . 1 . . . . 80 ALA HA . 18101 1 910 . 1 1 80 80 ALA HB1 H 1 1.238 0.020 . 1 . . . . 80 ALA HB . 18101 1 911 . 1 1 80 80 ALA HB2 H 1 1.238 0.020 . 1 . . . . 80 ALA HB . 18101 1 912 . 1 1 80 80 ALA HB3 H 1 1.238 0.020 . 1 . . . . 80 ALA HB . 18101 1 913 . 1 1 80 80 ALA C C 13 179.179 0.20 . 1 . . . . 80 ALA C . 18101 1 914 . 1 1 80 80 ALA CA C 13 56.131 0.200 . 1 . . . . 80 ALA CA . 18101 1 915 . 1 1 80 80 ALA CB C 13 18.181 0.200 . 1 . . . . 80 ALA CB . 18101 1 916 . 1 1 80 80 ALA N N 15 124.910 0.20 . 1 . . . . 80 ALA N . 18101 1 917 . 1 1 81 81 ALA H H 1 7.781 0.02 . 1 . . . . 81 ALA H . 18101 1 918 . 1 1 81 81 ALA HA H 1 4.045 0.020 . 1 . . . . 81 ALA HA . 18101 1 919 . 1 1 81 81 ALA HB1 H 1 1.476 0.020 . 1 . . . . 81 ALA HB . 18101 1 920 . 1 1 81 81 ALA HB2 H 1 1.476 0.020 . 1 . . . . 81 ALA HB . 18101 1 921 . 1 1 81 81 ALA HB3 H 1 1.476 0.020 . 1 . . . . 81 ALA HB . 18101 1 922 . 1 1 81 81 ALA C C 13 182.864 0.20 . 1 . . . . 81 ALA C . 18101 1 923 . 1 1 81 81 ALA CA C 13 55.531 0.200 . 1 . . . . 81 ALA CA . 18101 1 924 . 1 1 81 81 ALA CB C 13 18.278 0.200 . 1 . . . . 81 ALA CB . 18101 1 925 . 1 1 81 81 ALA N N 15 120.500 0.20 . 1 . . . . 81 ALA N . 18101 1 926 . 1 1 82 82 LEU H H 1 8.538 0.02 . 1 . . . . 82 LEU H . 18101 1 927 . 1 1 82 82 LEU HA H 1 4.470 0.020 . 1 . . . . 82 LEU HA . 18101 1 928 . 1 1 82 82 LEU HB2 H 1 1.260 0.020 . 2 . . . . 82 LEU HB2 . 18101 1 929 . 1 1 82 82 LEU HB3 H 1 1.300 0.020 . 2 . . . . 82 LEU HB3 . 18101 1 930 . 1 1 82 82 LEU HG H 1 1.596 0.020 . 1 . . . . 82 LEU HG . 18101 1 931 . 1 1 82 82 LEU HD11 H 1 0.889 0.020 . 2 . . . . 82 LEU HD1 . 18101 1 932 . 1 1 82 82 LEU HD12 H 1 0.889 0.020 . 2 . . . . 82 LEU HD1 . 18101 1 933 . 1 1 82 82 LEU HD13 H 1 0.889 0.020 . 2 . . . . 82 LEU HD1 . 18101 1 934 . 1 1 82 82 LEU C C 13 180.212 0.20 . 1 . . . . 82 LEU C . 18101 1 935 . 1 1 82 82 LEU CA C 13 57.612 0.200 . 1 . . . . 82 LEU CA . 18101 1 936 . 1 1 82 82 LEU CB C 13 41.854 0.200 . 1 . . . . 82 LEU CB . 18101 1 937 . 1 1 82 82 LEU CG C 13 26.579 0.200 . 1 . . . . 82 LEU CG . 18101 1 938 . 1 1 82 82 LEU CD1 C 13 25.560 0.200 . 2 . . . . 82 LEU CD1 . 18101 1 939 . 1 1 82 82 LEU CD2 C 13 25.500 0.200 . 2 . . . . 82 LEU CD2 . 18101 1 940 . 1 1 82 82 LEU N N 15 119.551 0.20 . 1 . . . . 82 LEU N . 18101 1 941 . 1 1 83 83 THR H H 1 8.455 0.02 . 1 . . . . 83 THR H . 18101 1 942 . 1 1 83 83 THR HA H 1 4.313 0.020 . 1 . . . . 83 THR HA . 18101 1 943 . 1 1 83 83 THR HB H 1 4.120 0.020 . 1 . . . . 83 THR HB . 18101 1 944 . 1 1 83 83 THR HG21 H 1 1.449 0.020 . 1 . . . . 83 THR HG2 . 18101 1 945 . 1 1 83 83 THR HG22 H 1 1.449 0.020 . 1 . . . . 83 THR HG2 . 18101 1 946 . 1 1 83 83 THR HG23 H 1 1.449 0.020 . 1 . . . . 83 THR HG2 . 18101 1 947 . 1 1 83 83 THR C C 13 177.560 0.20 . 1 . . . . 83 THR C . 18101 1 948 . 1 1 83 83 THR CA C 13 68.901 0.200 . 1 . . . . 83 THR CA . 18101 1 949 . 1 1 83 83 THR CB C 13 69.105 0.200 . 1 . . . . 83 THR CB . 18101 1 950 . 1 1 83 83 THR N N 15 120.400 0.20 . 1 . . . . 83 THR N . 18101 1 951 . 1 1 84 84 VAL H H 1 8.085 0.02 . 1 . . . . 84 VAL H . 18101 1 952 . 1 1 84 84 VAL HA H 1 3.732 0.020 . 1 . . . . 84 VAL HA . 18101 1 953 . 1 1 84 84 VAL HB H 1 2.215 0.020 . 1 . . . . 84 VAL HB . 18101 1 954 . 1 1 84 84 VAL HG11 H 1 1.184 0.020 . 2 . . . . 84 VAL HG1 . 18101 1 955 . 1 1 84 84 VAL HG12 H 1 1.184 0.020 . 2 . . . . 84 VAL HG1 . 18101 1 956 . 1 1 84 84 VAL HG13 H 1 1.184 0.020 . 2 . . . . 84 VAL HG1 . 18101 1 957 . 1 1 84 84 VAL HG21 H 1 1.184 0.020 . 2 . . . . 84 VAL HG2 . 18101 1 958 . 1 1 84 84 VAL HG22 H 1 1.184 0.020 . 2 . . . . 84 VAL HG2 . 18101 1 959 . 1 1 84 84 VAL HG23 H 1 1.184 0.020 . 2 . . . . 84 VAL HG2 . 18101 1 960 . 1 1 84 84 VAL C C 13 178.751 0.20 . 1 . . . . 84 VAL C . 18101 1 961 . 1 1 84 84 VAL CA C 13 67.631 0.200 . 1 . . . . 84 VAL CA . 18101 1 962 . 1 1 84 84 VAL CB C 13 32.436 0.200 . 1 . . . . 84 VAL CB . 18101 1 963 . 1 1 84 84 VAL CG1 C 13 21.470 0.200 . 2 . . . . 84 VAL CG1 . 18101 1 964 . 1 1 84 84 VAL CG2 C 13 24.163 0.200 . 2 . . . . 84 VAL CG2 . 18101 1 965 . 1 1 84 84 VAL N N 15 122.500 0.20 . 1 . . . . 84 VAL N . 18101 1 966 . 1 1 85 85 ALA H H 1 7.862 0.02 . 1 . . . . 85 ALA H . 18101 1 967 . 1 1 85 85 ALA HA H 1 4.176 0.020 . 1 . . . . 85 ALA HA . 18101 1 968 . 1 1 85 85 ALA HB1 H 1 1.525 0.020 . 1 . . . . 85 ALA HB . 18101 1 969 . 1 1 85 85 ALA HB2 H 1 1.525 0.020 . 1 . . . . 85 ALA HB . 18101 1 970 . 1 1 85 85 ALA HB3 H 1 1.525 0.020 . 1 . . . . 85 ALA HB . 18101 1 971 . 1 1 85 85 ALA C C 13 180.994 0.20 . 1 . . . . 85 ALA C . 18101 1 972 . 1 1 85 85 ALA CA C 13 55.573 0.200 . 1 . . . . 85 ALA CA . 18101 1 973 . 1 1 85 85 ALA CB C 13 18.329 0.200 . 1 . . . . 85 ALA CB . 18101 1 974 . 1 1 85 85 ALA N N 15 121.700 0.20 . 1 . . . . 85 ALA N . 18101 1 975 . 1 1 86 86 CYS H H 1 8.357 0.02 . 1 . . . . 86 CYS H . 18101 1 976 . 1 1 86 86 CYS HA H 1 5.180 0.020 . 1 . . . . 86 CYS HA . 18101 1 977 . 1 1 86 86 CYS HB2 H 1 3.420 0.020 . 2 . . . . 86 CYS HB2 . 18101 1 978 . 1 1 86 86 CYS HB3 H 1 2.630 0.020 . 2 . . . . 86 CYS HB3 . 18101 1 979 . 1 1 86 86 CYS C C 13 174.500 0.20 . 1 . . . . 86 CYS C . 18101 1 980 . 1 1 86 86 CYS CA C 13 55.476 0.200 . 1 . . . . 86 CYS CA . 18101 1 981 . 1 1 86 86 CYS CB C 13 41.700 0.200 . 1 . . . . 86 CYS CB . 18101 1 982 . 1 1 86 86 CYS N N 15 118.600 0.20 . 1 . . . . 86 CYS N . 18101 1 983 . 1 1 87 87 ASN HA H 1 4.193 0.020 . 1 . . . . 87 ASN HA . 18101 1 984 . 1 1 87 87 ASN HB2 H 1 2.585 0.020 . 2 . . . . 87 ASN HB2 . 18101 1 985 . 1 1 87 87 ASN HB3 H 1 2.585 0.020 . 2 . . . . 87 ASN HB3 . 18101 1 986 . 1 1 87 87 ASN C C 13 177.225 0.20 . 1 . . . . 87 ASN C . 18101 1 987 . 1 1 87 87 ASN CA C 13 57.391 0.200 . 1 . . . . 87 ASN CA . 18101 1 988 . 1 1 87 87 ASN CB C 13 40.069 0.200 . 1 . . . . 87 ASN CB . 18101 1 989 . 1 1 88 88 ASN H H 1 8.189 0.02 . 1 . . . . 88 ASN H . 18101 1 990 . 1 1 88 88 ASN C C 13 177.560 0.20 . 1 . . . . 88 ASN C . 18101 1 991 . 1 1 88 88 ASN CA C 13 55.422 0.200 . 1 . . . . 88 ASN CA . 18101 1 992 . 1 1 88 88 ASN CB C 13 38.125 0.200 . 1 . . . . 88 ASN CB . 18101 1 993 . 1 1 88 88 ASN N N 15 117.590 0.20 . 1 . . . . 88 ASN N . 18101 1 994 . 1 1 89 89 PHE HA H 1 4.646 0.020 . 1 . . . . 89 PHE HA . 18101 1 995 . 1 1 89 89 PHE HB2 H 1 2.544 0.020 . 2 . . . . 89 PHE HB2 . 18101 1 996 . 1 1 89 89 PHE HB3 H 1 2.507 0.020 . 2 . . . . 89 PHE HB3 . 18101 1 997 . 1 1 89 89 PHE C C 13 177.481 0.20 . 1 . . . . 89 PHE C . 18101 1 998 . 1 1 89 89 PHE CA C 13 50.783 0.200 . 1 . . . . 89 PHE CA . 18101 1 999 . 1 1 89 89 PHE CB C 13 30.540 0.200 . 1 . . . . 89 PHE CB . 18101 1 1000 . 1 1 90 90 PHE H H 1 8.339 0.02 . 1 . . . . 90 PHE H . 18101 1 1001 . 1 1 90 90 PHE C C 13 174.230 0.20 . 1 . . . . 90 PHE C . 18101 1 1002 . 1 1 90 90 PHE CA C 13 59.873 0.200 . 1 . . . . 90 PHE CA . 18101 1 1003 . 1 1 90 90 PHE CB C 13 38.416 0.200 . 1 . . . . 90 PHE CB . 18101 1 1004 . 1 1 90 90 PHE N N 15 122.030 0.20 . 1 . . . . 90 PHE N . 18101 1 1005 . 1 1 91 91 TRP H H 1 7.807 0.02 . 1 . . . . 91 TRP H . 18101 1 1006 . 1 1 91 91 TRP HA H 1 4.519 0.020 . 1 . . . . 91 TRP HA . 18101 1 1007 . 1 1 91 91 TRP HB2 H 1 3.152 0.020 . 2 . . . . 91 TRP HB2 . 18101 1 1008 . 1 1 91 91 TRP HB3 H 1 3.116 0.020 . 2 . . . . 91 TRP HB3 . 18101 1 1009 . 1 1 91 91 TRP C C 13 177.644 0.20 . 1 . . . . 91 TRP C . 18101 1 1010 . 1 1 91 91 TRP CA C 13 58.011 0.200 . 1 . . . . 91 TRP CA . 18101 1 1011 . 1 1 91 91 TRP CB C 13 29.869 0.200 . 1 . . . . 91 TRP CB . 18101 1 1012 . 1 1 91 91 TRP N N 15 119.500 0.20 . 1 . . . . 91 TRP N . 18101 1 1013 . 1 1 92 92 GLU H H 1 7.849 0.02 . 1 . . . . 92 GLU H . 18101 1 1014 . 1 1 92 92 GLU HA H 1 4.127 0.020 . 1 . . . . 92 GLU HA . 18101 1 1015 . 1 1 92 92 GLU HB2 H 1 1.863 0.020 . 2 . . . . 92 GLU HB2 . 18101 1 1016 . 1 1 92 92 GLU HB3 H 1 1.863 0.020 . 2 . . . . 92 GLU HB3 . 18101 1 1017 . 1 1 92 92 GLU HG2 H 1 2.795 0.020 . 2 . . . . 92 GLU HG2 . 18101 1 1018 . 1 1 92 92 GLU HG3 H 1 2.795 0.020 . 2 . . . . 92 GLU HG3 . 18101 1 1019 . 1 1 92 92 GLU C C 13 177.029 0.20 . 1 . . . . 92 GLU C . 18101 1 1020 . 1 1 92 92 GLU CA C 13 57.394 0.200 . 1 . . . . 92 GLU CA . 18101 1 1021 . 1 1 92 92 GLU CB C 13 30.075 0.200 . 1 . . . . 92 GLU CB . 18101 1 1022 . 1 1 92 92 GLU CG C 13 33.283 0.200 . 1 . . . . 92 GLU CG . 18101 1 1023 . 1 1 92 92 GLU N N 15 120.777 0.20 . 1 . . . . 92 GLU N . 18101 1 1024 . 1 1 93 93 ASN H H 1 7.941 0.02 . 1 . . . . 93 ASN H . 18101 1 1025 . 1 1 93 93 ASN HA H 1 4.678 0.020 . 1 . . . . 93 ASN HA . 18101 1 1026 . 1 1 93 93 ASN HB2 H 1 2.709 0.020 . 2 . . . . 93 ASN HB2 . 18101 1 1027 . 1 1 93 93 ASN HB3 H 1 2.632 0.020 . 2 . . . . 93 ASN HB3 . 18101 1 1028 . 1 1 93 93 ASN C C 13 175.006 0.20 . 1 . . . . 93 ASN C . 18101 1 1029 . 1 1 93 93 ASN CA C 13 53.481 0.200 . 1 . . . . 93 ASN CA . 18101 1 1030 . 1 1 93 93 ASN CB C 13 39.406 0.200 . 1 . . . . 93 ASN CB . 18101 1 1031 . 1 1 93 93 ASN N N 15 119.200 0.20 . 1 . . . . 93 ASN N . 18101 1 1032 . 1 1 94 94 SER H H 1 7.657 0.02 . 1 . . . . 94 SER H . 18101 1 1033 . 1 1 94 94 SER C C 13 179.570 0.20 . 1 . . . . 94 SER C . 18101 1 1034 . 1 1 94 94 SER CA C 13 60.321 0.200 . 1 . . . . 94 SER CA . 18101 1 1035 . 1 1 94 94 SER CB C 13 64.966 0.200 . 1 . . . . 94 SER CB . 18101 1 1036 . 1 1 94 94 SER N N 15 121.730 0.20 . 1 . . . . 94 SER N . 18101 1 stop_ save_