data_16614 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16614 _Entry.Title ; 1H, 13C and 15N resonance assignments of a highly-soluble murine interleukin-3 analogue with wild-type bioactivity ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-11-22 _Entry.Accession_date 2009-11-22 _Entry.Last_release_date 2010-05-05 _Entry.Original_release_date 2010-05-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Shenggen Yao . . . 16614 2 James Murphy . M. . 16614 3 Andrew Low . . . 16614 4 Raymond Norton . S. . 16614 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16614 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 460 16614 '15N chemical shifts' 125 16614 '1H chemical shifts' 793 16614 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-05-05 2009-11-22 original author . 16614 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16614 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20174897 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N resonance assignments of a highly-soluble murine interleukin-3 analogue with wild-type bioactivity.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _Citation.Journal_issue 1 _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 73 _Citation.Page_last 77 _Citation.Year 2010 _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 Shenggen Yao . . . 16614 1 2 James Murphy . M. . 16614 1 3 Andrew Low . . . 16614 1 4 Raymond Norton . S. . 16614 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16614 _Assembly.ID 1 _Assembly.Name 'a single polypeptide chain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 14286 _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 mIL3(33-156) 1 $mIL3 A . yes native no no . . . 16614 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID cytokine 16614 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mIL3 _Entity.Sf_category entity _Entity.Sf_framecode mIL3 _Entity.Entry_ID 16614 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name mIL3 _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 ; GAMDTHRLTRTLNCSSIVKE IIGKLPEPELKTDDEGPSLR NKSFRRVNLSKFVESQGEVD PEDRYVIKSNLQKLNACLPT SANDSALPGVFIRDLDDFRK KLRFYMVHLNDLETVLTSRP PQPASGS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '33-156 excluding the first 3 residues' _Entity.Polymer_author_seq_details 'The first 3 residues are cloning artifacts' _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 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'mIL-3 growth factor domain' _Entity.Mutation C105A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14286 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L3O . "Solution Structure Of Murine Interleukin 3" . . . . . 100.00 127 100.00 100.00 1.81e-86 . . . . 16614 1 2 no DBJ BAE32129 . "unnamed protein product [Mus musculus]" . . . . . 97.64 166 99.19 99.19 4.25e-83 . . . . 16614 1 3 no EMBL CAA26514 . "interleukin 3 [Mus musculus]" . . . . . 97.64 166 99.19 99.19 4.25e-83 . . . . 16614 1 4 no GB AAA39291 . "interleukin-3 prepropeptide [Mus musculus]" . . . . . 97.64 166 99.19 99.19 4.25e-83 . . . . 16614 1 5 no GB AAA39293 . "interleukin 3, partial [Mus musculus]" . . . . . 97.64 166 99.19 99.19 4.25e-83 . . . . 16614 1 6 no GB AAA39308 . "interleukin 3, partial [Mus musculus]" . . . . . 97.64 166 98.39 99.19 1.09e-82 . . . . 16614 1 7 no GB AAA39507 . "mast cell growth factor [Mus musculus]" . . . . . 97.64 166 98.39 98.39 2.18e-82 . . . . 16614 1 8 no GB AAB24323 . "interleukin-3, IL-3 [mice, Peptide Recombinant, 140 aa]" . . . . . 97.64 140 99.19 99.19 9.20e-83 . . . . 16614 1 9 no PRF 1002253A . "interleukin 3" . . . . . 97.64 166 99.19 99.19 4.25e-83 . . . . 16614 1 10 no REF NP_034686 . "interleukin-3 precursor [Mus musculus]" . . . . . 97.64 166 99.19 99.19 4.25e-83 . . . . 16614 1 11 no SP P01586 . "RecName: Full=Interleukin-3; Short=IL-3; AltName: Full=Hematopoietic growth factor; AltName: Full=Mast cell growth factor; Shor" . . . . . 97.64 166 99.19 99.19 4.25e-83 . . . . 16614 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID cytokine 16614 1 'haematopoietic growth factor' 16614 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 30 GLY . 16614 1 2 31 ALA . 16614 1 3 32 MET . 16614 1 4 33 ASP . 16614 1 5 34 THR . 16614 1 6 35 HIS . 16614 1 7 36 ARG . 16614 1 8 37 LEU . 16614 1 9 38 THR . 16614 1 10 39 ARG . 16614 1 11 40 THR . 16614 1 12 41 LEU . 16614 1 13 42 ASN . 16614 1 14 43 CYS . 16614 1 15 44 SER . 16614 1 16 45 SER . 16614 1 17 46 ILE . 16614 1 18 47 VAL . 16614 1 19 48 LYS . 16614 1 20 49 GLU . 16614 1 21 50 ILE . 16614 1 22 51 ILE . 16614 1 23 52 GLY . 16614 1 24 53 LYS . 16614 1 25 54 LEU . 16614 1 26 55 PRO . 16614 1 27 56 GLU . 16614 1 28 57 PRO . 16614 1 29 58 GLU . 16614 1 30 59 LEU . 16614 1 31 60 LYS . 16614 1 32 61 THR . 16614 1 33 62 ASP . 16614 1 34 63 ASP . 16614 1 35 64 GLU . 16614 1 36 65 GLY . 16614 1 37 66 PRO . 16614 1 38 67 SER . 16614 1 39 68 LEU . 16614 1 40 69 ARG . 16614 1 41 70 ASN . 16614 1 42 71 LYS . 16614 1 43 72 SER . 16614 1 44 73 PHE . 16614 1 45 74 ARG . 16614 1 46 75 ARG . 16614 1 47 76 VAL . 16614 1 48 77 ASN . 16614 1 49 78 LEU . 16614 1 50 79 SER . 16614 1 51 80 LYS . 16614 1 52 81 PHE . 16614 1 53 82 VAL . 16614 1 54 83 GLU . 16614 1 55 84 SER . 16614 1 56 85 GLN . 16614 1 57 86 GLY . 16614 1 58 87 GLU . 16614 1 59 88 VAL . 16614 1 60 89 ASP . 16614 1 61 90 PRO . 16614 1 62 91 GLU . 16614 1 63 92 ASP . 16614 1 64 93 ARG . 16614 1 65 94 TYR . 16614 1 66 95 VAL . 16614 1 67 96 ILE . 16614 1 68 97 LYS . 16614 1 69 98 SER . 16614 1 70 99 ASN . 16614 1 71 100 LEU . 16614 1 72 101 GLN . 16614 1 73 102 LYS . 16614 1 74 103 LEU . 16614 1 75 104 ASN . 16614 1 76 105 ALA . 16614 1 77 106 CYS . 16614 1 78 107 LEU . 16614 1 79 108 PRO . 16614 1 80 109 THR . 16614 1 81 110 SER . 16614 1 82 111 ALA . 16614 1 83 112 ASN . 16614 1 84 113 ASP . 16614 1 85 114 SER . 16614 1 86 115 ALA . 16614 1 87 116 LEU . 16614 1 88 117 PRO . 16614 1 89 118 GLY . 16614 1 90 119 VAL . 16614 1 91 120 PHE . 16614 1 92 121 ILE . 16614 1 93 122 ARG . 16614 1 94 123 ASP . 16614 1 95 124 LEU . 16614 1 96 125 ASP . 16614 1 97 126 ASP . 16614 1 98 127 PHE . 16614 1 99 128 ARG . 16614 1 100 129 LYS . 16614 1 101 130 LYS . 16614 1 102 131 LEU . 16614 1 103 132 ARG . 16614 1 104 133 PHE . 16614 1 105 134 TYR . 16614 1 106 135 MET . 16614 1 107 136 VAL . 16614 1 108 137 HIS . 16614 1 109 138 LEU . 16614 1 110 139 ASN . 16614 1 111 140 ASP . 16614 1 112 141 LEU . 16614 1 113 142 GLU . 16614 1 114 143 THR . 16614 1 115 144 VAL . 16614 1 116 145 LEU . 16614 1 117 146 THR . 16614 1 118 147 SER . 16614 1 119 148 ARG . 16614 1 120 149 PRO . 16614 1 121 150 PRO . 16614 1 122 151 GLN . 16614 1 123 152 PRO . 16614 1 124 153 ALA . 16614 1 125 154 SER . 16614 1 126 155 GLY . 16614 1 127 156 SER . 16614 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 . GLY 1 1 16614 1 . ALA 2 2 16614 1 . MET 3 3 16614 1 . ASP 4 4 16614 1 . THR 5 5 16614 1 . HIS 6 6 16614 1 . ARG 7 7 16614 1 . LEU 8 8 16614 1 . THR 9 9 16614 1 . ARG 10 10 16614 1 . THR 11 11 16614 1 . LEU 12 12 16614 1 . ASN 13 13 16614 1 . CYS 14 14 16614 1 . SER 15 15 16614 1 . SER 16 16 16614 1 . ILE 17 17 16614 1 . VAL 18 18 16614 1 . LYS 19 19 16614 1 . GLU 20 20 16614 1 . ILE 21 21 16614 1 . ILE 22 22 16614 1 . GLY 23 23 16614 1 . LYS 24 24 16614 1 . LEU 25 25 16614 1 . PRO 26 26 16614 1 . GLU 27 27 16614 1 . PRO 28 28 16614 1 . GLU 29 29 16614 1 . LEU 30 30 16614 1 . LYS 31 31 16614 1 . THR 32 32 16614 1 . ASP 33 33 16614 1 . ASP 34 34 16614 1 . GLU 35 35 16614 1 . GLY 36 36 16614 1 . PRO 37 37 16614 1 . SER 38 38 16614 1 . LEU 39 39 16614 1 . ARG 40 40 16614 1 . ASN 41 41 16614 1 . LYS 42 42 16614 1 . SER 43 43 16614 1 . PHE 44 44 16614 1 . ARG 45 45 16614 1 . ARG 46 46 16614 1 . VAL 47 47 16614 1 . ASN 48 48 16614 1 . LEU 49 49 16614 1 . SER 50 50 16614 1 . LYS 51 51 16614 1 . PHE 52 52 16614 1 . VAL 53 53 16614 1 . GLU 54 54 16614 1 . SER 55 55 16614 1 . GLN 56 56 16614 1 . GLY 57 57 16614 1 . GLU 58 58 16614 1 . VAL 59 59 16614 1 . ASP 60 60 16614 1 . PRO 61 61 16614 1 . GLU 62 62 16614 1 . ASP 63 63 16614 1 . ARG 64 64 16614 1 . TYR 65 65 16614 1 . VAL 66 66 16614 1 . ILE 67 67 16614 1 . LYS 68 68 16614 1 . SER 69 69 16614 1 . ASN 70 70 16614 1 . LEU 71 71 16614 1 . GLN 72 72 16614 1 . LYS 73 73 16614 1 . LEU 74 74 16614 1 . ASN 75 75 16614 1 . ALA 76 76 16614 1 . CYS 77 77 16614 1 . LEU 78 78 16614 1 . PRO 79 79 16614 1 . THR 80 80 16614 1 . SER 81 81 16614 1 . ALA 82 82 16614 1 . ASN 83 83 16614 1 . ASP 84 84 16614 1 . SER 85 85 16614 1 . ALA 86 86 16614 1 . LEU 87 87 16614 1 . PRO 88 88 16614 1 . GLY 89 89 16614 1 . VAL 90 90 16614 1 . PHE 91 91 16614 1 . ILE 92 92 16614 1 . ARG 93 93 16614 1 . ASP 94 94 16614 1 . LEU 95 95 16614 1 . ASP 96 96 16614 1 . ASP 97 97 16614 1 . PHE 98 98 16614 1 . ARG 99 99 16614 1 . LYS 100 100 16614 1 . LYS 101 101 16614 1 . LEU 102 102 16614 1 . ARG 103 103 16614 1 . PHE 104 104 16614 1 . TYR 105 105 16614 1 . MET 106 106 16614 1 . VAL 107 107 16614 1 . HIS 108 108 16614 1 . LEU 109 109 16614 1 . ASN 110 110 16614 1 . ASP 111 111 16614 1 . LEU 112 112 16614 1 . GLU 113 113 16614 1 . THR 114 114 16614 1 . VAL 115 115 16614 1 . LEU 116 116 16614 1 . THR 117 117 16614 1 . SER 118 118 16614 1 . ARG 119 119 16614 1 . PRO 120 120 16614 1 . PRO 121 121 16614 1 . GLN 122 122 16614 1 . PRO 123 123 16614 1 . ALA 124 124 16614 1 . SER 125 125 16614 1 . GLY 126 126 16614 1 . SER 127 127 16614 1 stop_ loop_ _Entity_bond.ID _Entity_bond.Type _Entity_bond.Value_order _Entity_bond.Comp_index_ID_1 _Entity_bond.Comp_ID_1 _Entity_bond.Atom_ID_1 _Entity_bond.Comp_index_ID_2 _Entity_bond.Comp_ID_2 _Entity_bond.Atom_ID_2 _Entity_bond.Details _Entity_bond.Entry_ID _Entity_bond.Entity_ID 1 disulfide single 14 CYS SG 77 CYS SG . 16614 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16614 _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 $mIL3 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 16614 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 16614 _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 $mIL3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pETM60 . . . . . . 16614 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16614 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM potassium phosphate, and 0.02% (wv) sodium azide at pH 6.7' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 mIL3 '[U-100% 15N]' . . 1 $mIL3 . . 0.28 . . mM . . . . 16614 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16614 1 3 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 16614 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16614 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16614 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16614 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM potassium phosphate, and 0.02% (wv) sodium azide at pH 6.7' _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '95% H2O/5% 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 mIL3 '[U-100% 13C; U-100% 15N]' . . 1 $mIL3 . . 0.28 . . mM . . . . 16614 2 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16614 2 3 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 16614 2 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16614 2 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16614 2 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 16614 _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' 0.02 . M 16614 1 pH 6.7 . pH 16614 1 pressure 1 . atm 16614 1 temperature 283 . K 16614 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16614 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16614 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16614 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 16614 _Software.ID 2 _Software.Name XEASY _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 16614 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16614 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 16614 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16614 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16614 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 16614 1 2 spectrometer_2 Bruker Avance . 800 . . . 16614 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 16614 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16614 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16614 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16614 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16614 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16614 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16614 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16614 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16614 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16614 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16614 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16614 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16614 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'The 1H chemical shifts were referenced indirectly to TMS at 0 ppm via the H2O signal, and the 13C and 15N chemical shifts were referenced indirectly using absolute frequency ratios' 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 water protons . . . . ppm 4.9445 na indirect 0.251449453 . . . . . . . . . 16614 1 H 1 water protons . . . . ppm 4.9445 internal direct 1.0 . . . . . . . . . 16614 1 N 15 water protons . . . . ppm 4.9445 na indirect 0.101329118 . . . . . . . . . 16614 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 16614 _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' . . . 16614 1 2 '3D 1H-15N NOESY' . . . 16614 1 4 '3D HNCA' . . . 16614 1 5 '3D CBCA(CO)NH' . . . 16614 1 6 '3D HNCO' . . . 16614 1 7 '3D HCCH-TOCSY' . . . 16614 1 10 '2D 1H-13C HSQC' . . . 16614 1 11 '3D 1H-13C NOESY' . . . 16614 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 4 4 ASP H H 1 8.33 0.01 . 1 . . . . 33 ASP H . 16614 1 2 . 1 1 4 4 ASP HA H 1 4.48 0.01 . 1 . . . . 33 ASP HA . 16614 1 3 . 1 1 4 4 ASP HB2 H 1 2.71 0.01 . 2 . . . . 33 ASP HB2 . 16614 1 4 . 1 1 4 4 ASP HB3 H 1 2.65 0.01 . 2 . . . . 33 ASP HB3 . 16614 1 5 . 1 1 4 4 ASP C C 13 177.2 0.2 . 1 . . . . 33 ASP C . 16614 1 6 . 1 1 4 4 ASP CA C 13 54.7 0.2 . 1 . . . . 33 ASP CA . 16614 1 7 . 1 1 4 4 ASP CB C 13 41.3 0.2 . 1 . . . . 33 ASP CB . 16614 1 8 . 1 1 4 4 ASP N N 15 121.9 0.2 . 1 . . . . 33 ASP N . 16614 1 9 . 1 1 5 5 THR H H 1 8.24 0.01 . 1 . . . . 34 THR H . 16614 1 10 . 1 1 5 5 THR HA H 1 4.38 0.01 . 1 . . . . 34 THR HA . 16614 1 11 . 1 1 5 5 THR HB H 1 4.19 0.01 . 1 . . . . 34 THR HB . 16614 1 12 . 1 1 5 5 THR HG21 H 1 1.16 0.01 . 1 . . . . 34 THR MG . 16614 1 13 . 1 1 5 5 THR HG22 H 1 1.16 0.01 . 1 . . . . 34 THR MG . 16614 1 14 . 1 1 5 5 THR HG23 H 1 1.16 0.01 . 1 . . . . 34 THR MG . 16614 1 15 . 1 1 5 5 THR C C 13 175.5 0.2 . 1 . . . . 34 THR C . 16614 1 16 . 1 1 5 5 THR CA C 13 62.8 0.2 . 1 . . . . 34 THR CA . 16614 1 17 . 1 1 5 5 THR CB C 13 69.5 0.2 . 1 . . . . 34 THR CB . 16614 1 18 . 1 1 5 5 THR CG2 C 13 21.8 0.2 . 1 . . . . 34 THR CG2 . 16614 1 19 . 1 1 5 5 THR N N 15 114.8 0.01 . 1 . . . . 34 THR N . 16614 1 20 . 1 1 6 6 HIS H H 1 8.47 0.01 . 1 . . . . 35 HIS H . 16614 1 21 . 1 1 6 6 HIS HA H 1 4.63 0.01 . 1 . . . . 35 HIS HA . 16614 1 22 . 1 1 6 6 HIS HB2 H 1 3.28 0.01 . 2 . . . . 35 HIS HB2 . 16614 1 23 . 1 1 6 6 HIS HB3 H 1 3.19 0.01 . 2 . . . . 35 HIS HB3 . 16614 1 24 . 1 1 6 6 HIS HD2 H 1 7.23 0.01 . 1 . . . . 35 HIS HD2 . 16614 1 25 . 1 1 6 6 HIS C C 13 175.1 0.2 . 1 . . . . 35 HIS C . 16614 1 26 . 1 1 6 6 HIS CA C 13 56.5 0.2 . 1 . . . . 35 HIS CA . 16614 1 27 . 1 1 6 6 HIS CB C 13 28.8 0.2 . 1 . . . . 35 HIS CB . 16614 1 28 . 1 1 6 6 HIS N N 15 121.3 0.2 . 1 . . . . 35 HIS N . 16614 1 29 . 1 1 7 7 ARG H H 1 8.3 0.01 . 1 . . . . 36 ARG H . 16614 1 30 . 1 1 7 7 ARG HA H 1 4.24 0.01 . 1 . . . . 36 ARG HA . 16614 1 31 . 1 1 7 7 ARG HB2 H 1 1.79 0.01 . 2 . . . . 36 ARG HB2 . 16614 1 32 . 1 1 7 7 ARG HB3 H 1 1.79 0.01 . 2 . . . . 36 ARG HB3 . 16614 1 33 . 1 1 7 7 ARG HD2 H 1 3.18 0.01 . 2 . . . . 36 ARG HD2 . 16614 1 34 . 1 1 7 7 ARG HD3 H 1 3.18 0.01 . 2 . . . . 36 ARG HD3 . 16614 1 35 . 1 1 7 7 ARG HE H 1 7.28 0.01 . 1 . . . . 36 ARG HE . 16614 1 36 . 1 1 7 7 ARG HG2 H 1 1.62 0.01 . 2 . . . . 36 ARG HG2 . 16614 1 37 . 1 1 7 7 ARG HG3 H 1 1.62 0.01 . 2 . . . . 36 ARG HG3 . 16614 1 38 . 1 1 7 7 ARG C C 13 176.7 0.2 . 1 . . . . 36 ARG C . 16614 1 39 . 1 1 7 7 ARG CA C 13 56.9 0.2 . 1 . . . . 36 ARG CA . 16614 1 40 . 1 1 7 7 ARG CB C 13 31 0.2 . 1 . . . . 36 ARG CB . 16614 1 41 . 1 1 7 7 ARG CD C 13 43.7 0.2 . 1 . . . . 36 ARG CD . 16614 1 42 . 1 1 7 7 ARG CG C 13 26.9 0.2 . 1 . . . . 36 ARG CG . 16614 1 43 . 1 1 7 7 ARG N N 15 121.6 0.2 . 1 . . . . 36 ARG N . 16614 1 44 . 1 1 8 8 LEU H H 1 8.44 0.01 . 1 . . . . 37 LEU H . 16614 1 45 . 1 1 8 8 LEU HA H 1 4.37 0.01 . 1 . . . . 37 LEU HA . 16614 1 46 . 1 1 8 8 LEU HB2 H 1 1.67 0.01 . 2 . . . . 37 LEU HB2 . 16614 1 47 . 1 1 8 8 LEU HB3 H 1 1.56 0.01 . 2 . . . . 37 LEU HB3 . 16614 1 48 . 1 1 8 8 LEU HD11 H 1 0.89 0.01 . 2 . . . . 37 LEU MD1 . 16614 1 49 . 1 1 8 8 LEU HD12 H 1 0.89 0.01 . 2 . . . . 37 LEU MD1 . 16614 1 50 . 1 1 8 8 LEU HD13 H 1 0.89 0.01 . 2 . . . . 37 LEU MD1 . 16614 1 51 . 1 1 8 8 LEU HD21 H 1 0.89 0.01 . 2 . . . . 37 LEU MD2 . 16614 1 52 . 1 1 8 8 LEU HD22 H 1 0.89 0.01 . 2 . . . . 37 LEU MD2 . 16614 1 53 . 1 1 8 8 LEU HD23 H 1 0.89 0.01 . 2 . . . . 37 LEU MD2 . 16614 1 54 . 1 1 8 8 LEU HG H 1 1.57 0.01 . 1 . . . . 37 LEU HG . 16614 1 55 . 1 1 8 8 LEU C C 13 178 0.2 . 1 . . . . 37 LEU C . 16614 1 56 . 1 1 8 8 LEU CA C 13 55.7 0.2 . 1 . . . . 37 LEU CA . 16614 1 57 . 1 1 8 8 LEU CB C 13 42.5 0.2 . 1 . . . . 37 LEU CB . 16614 1 58 . 1 1 8 8 LEU CD1 C 13 24.6 0.2 . 2 . . . . 37 LEU CD1 . 16614 1 59 . 1 1 8 8 LEU CD2 C 13 23.6 0.2 . 2 . . . . 37 LEU CD2 . 16614 1 60 . 1 1 8 8 LEU CG C 13 26.9 0.2 . 1 . . . . 37 LEU CG . 16614 1 61 . 1 1 8 8 LEU N N 15 123.1 0.2 . 1 . . . . 37 LEU N . 16614 1 62 . 1 1 9 9 THR H H 1 8.22 0.01 . 1 . . . . 38 THR H . 16614 1 63 . 1 1 9 9 THR HA H 1 4.21 0.01 . 1 . . . . 38 THR HA . 16614 1 64 . 1 1 9 9 THR HB H 1 1.2 0.01 . 1 . . . . 38 THR HB . 16614 1 65 . 1 1 9 9 THR HG21 H 1 0.88 0.01 . 1 . . . . 38 THR MG . 16614 1 66 . 1 1 9 9 THR HG22 H 1 0.88 0.01 . 1 . . . . 38 THR MG . 16614 1 67 . 1 1 9 9 THR HG23 H 1 0.88 0.01 . 1 . . . . 38 THR MG . 16614 1 68 . 1 1 9 9 THR C C 13 174.8 0.2 . 1 . . . . 38 THR C . 16614 1 69 . 1 1 9 9 THR CA C 13 62.4 0.2 . 1 . . . . 38 THR CA . 16614 1 70 . 1 1 9 9 THR CB C 13 70.3 0.2 . 1 . . . . 38 THR CB . 16614 1 71 . 1 1 9 9 THR CG2 C 13 21.9 0.2 . 1 . . . . 38 THR CG2 . 16614 1 72 . 1 1 9 9 THR N N 15 115.4 0.2 . 1 . . . . 38 THR N . 16614 1 73 . 1 1 10 10 ARG H H 1 8.51 0.01 . 1 . . . . 39 ARG H . 16614 1 74 . 1 1 10 10 ARG HA H 1 4.41 0.01 . 1 . . . . 39 ARG HA . 16614 1 75 . 1 1 10 10 ARG HB2 H 1 1.86 0.01 . 2 . . . . 39 ARG HB2 . 16614 1 76 . 1 1 10 10 ARG HB3 H 1 1.77 0.01 . 2 . . . . 39 ARG HB3 . 16614 1 77 . 1 1 10 10 ARG HD2 H 1 3.18 0.01 . 2 . . . . 39 ARG HD2 . 16614 1 78 . 1 1 10 10 ARG HD3 H 1 3.18 0.01 . 2 . . . . 39 ARG HD3 . 16614 1 79 . 1 1 10 10 ARG HG2 H 1 1.63 0.01 . 2 . . . . 39 ARG HG2 . 16614 1 80 . 1 1 10 10 ARG HG3 H 1 1.63 0.01 . 2 . . . . 39 ARG HG3 . 16614 1 81 . 1 1 10 10 ARG C C 13 176.6 0.2 . 1 . . . . 39 ARG C . 16614 1 82 . 1 1 10 10 ARG CA C 13 56.4 0.2 . 1 . . . . 39 ARG CA . 16614 1 83 . 1 1 10 10 ARG CB C 13 31.3 0.2 . 1 . . . . 39 ARG CB . 16614 1 84 . 1 1 10 10 ARG CD C 13 43.6 0.2 . 1 . . . . 39 ARG CD . 16614 1 85 . 1 1 10 10 ARG CG C 13 27.4 0.2 . 1 . . . . 39 ARG CG . 16614 1 86 . 1 1 10 10 ARG N N 15 123.6 0.2 . 1 . . . . 39 ARG N . 16614 1 87 . 1 1 10 10 ARG NE N 15 84.5 0.2 . 1 . . . . 39 ARG NE . 16614 1 88 . 1 1 11 11 THR H H 1 8.32 0.01 . 1 . . . . 40 THR H . 16614 1 89 . 1 1 11 11 THR HA H 1 4.44 0.01 . 1 . . . . 40 THR HA . 16614 1 90 . 1 1 11 11 THR HB H 1 4.1 0.01 . 1 . . . . 40 THR HB . 16614 1 91 . 1 1 11 11 THR HG21 H 1 1.17 0.01 . 1 . . . . 40 THR MG . 16614 1 92 . 1 1 11 11 THR HG22 H 1 1.17 0.01 . 1 . . . . 40 THR MG . 16614 1 93 . 1 1 11 11 THR HG23 H 1 1.17 0.01 . 1 . . . . 40 THR MG . 16614 1 94 . 1 1 11 11 THR C C 13 174.6 0.2 . 1 . . . . 40 THR C . 16614 1 95 . 1 1 11 11 THR CA C 13 62.3 0.2 . 1 . . . . 40 THR CA . 16614 1 96 . 1 1 11 11 THR CB C 13 70.2 0.2 . 1 . . . . 40 THR CB . 16614 1 97 . 1 1 11 11 THR CG2 C 13 22 0.2 . 1 . . . . 40 THR CG2 . 16614 1 98 . 1 1 11 11 THR N N 15 116.2 0.2 . 1 . . . . 40 THR N . 16614 1 99 . 1 1 12 12 LEU H H 1 8.63 0.01 . 1 . . . . 41 LEU H . 16614 1 100 . 1 1 12 12 LEU HA H 1 4.38 0.01 . 1 . . . . 41 LEU HA . 16614 1 101 . 1 1 12 12 LEU HB2 H 1 1.54 0.01 . 2 . . . . 41 LEU HB2 . 16614 1 102 . 1 1 12 12 LEU HB3 H 1 1.54 0.01 . 2 . . . . 41 LEU HB3 . 16614 1 103 . 1 1 12 12 LEU HD11 H 1 0.87 0.01 . 2 . . . . 41 LEU MD1 . 16614 1 104 . 1 1 12 12 LEU HD12 H 1 0.87 0.01 . 2 . . . . 41 LEU MD1 . 16614 1 105 . 1 1 12 12 LEU HD13 H 1 0.87 0.01 . 2 . . . . 41 LEU MD1 . 16614 1 106 . 1 1 12 12 LEU HD21 H 1 0.87 0.01 . 2 . . . . 41 LEU MD2 . 16614 1 107 . 1 1 12 12 LEU HD22 H 1 0.87 0.01 . 2 . . . . 41 LEU MD2 . 16614 1 108 . 1 1 12 12 LEU HD23 H 1 0.87 0.01 . 2 . . . . 41 LEU MD2 . 16614 1 109 . 1 1 12 12 LEU C C 13 176.4 0.2 . 1 . . . . 41 LEU C . 16614 1 110 . 1 1 12 12 LEU CA C 13 55.1 0.2 . 1 . . . . 41 LEU CA . 16614 1 111 . 1 1 12 12 LEU CB C 13 43.2 0.2 . 1 . . . . 41 LEU CB . 16614 1 112 . 1 1 12 12 LEU CD1 C 13 25 0.2 . 2 . . . . 41 LEU CD1 . 16614 1 113 . 1 1 12 12 LEU CD2 C 13 25.9 0.2 . 2 . . . . 41 LEU CD2 . 16614 1 114 . 1 1 12 12 LEU CG C 13 27.2 0.2 . 1 . . . . 41 LEU CG . 16614 1 115 . 1 1 12 12 LEU N N 15 126 0.2 . 1 . . . . 41 LEU N . 16614 1 116 . 1 1 13 13 ASN H H 1 8.79 0.01 . 1 . . . . 42 ASN H . 16614 1 117 . 1 1 13 13 ASN HA H 1 4.8 0.01 . 1 . . . . 42 ASN HA . 16614 1 118 . 1 1 13 13 ASN HB2 H 1 3.02 0.01 . 2 . . . . 42 ASN HB2 . 16614 1 119 . 1 1 13 13 ASN HB3 H 1 2.76 0.01 . 2 . . . . 42 ASN HB3 . 16614 1 120 . 1 1 13 13 ASN CA C 13 52.9 0.2 . 1 . . . . 42 ASN CA . 16614 1 121 . 1 1 13 13 ASN CB C 13 38.1 0.2 . 1 . . . . 42 ASN CB . 16614 1 122 . 1 1 13 13 ASN N N 15 121.9 0.2 . 1 . . . . 42 ASN N . 16614 1 123 . 1 1 14 14 CYS H H 1 8.38 0.01 . 1 . . . . 43 CYS H . 16614 1 124 . 1 1 14 14 CYS HA H 1 3.93 0.01 . 1 . . . . 43 CYS HA . 16614 1 125 . 1 1 14 14 CYS HB2 H 1 3.13 0.01 . 2 . . . . 43 CYS HB2 . 16614 1 126 . 1 1 14 14 CYS HB3 H 1 2.74 0.01 . 2 . . . . 43 CYS HB3 . 16614 1 127 . 1 1 14 14 CYS C C 13 179.6 0.2 . 1 . . . . 43 CYS C . 16614 1 128 . 1 1 14 14 CYS CA C 13 59.4 0.2 . 1 . . . . 43 CYS CA . 16614 1 129 . 1 1 14 14 CYS CB C 13 43.2 0.2 . 1 . . . . 43 CYS CB . 16614 1 130 . 1 1 14 14 CYS N N 15 122.2 0.2 . 1 . . . . 43 CYS N . 16614 1 131 . 1 1 15 15 SER H H 1 8.79 0.01 . 1 . . . . 44 SER H . 16614 1 132 . 1 1 15 15 SER HA H 1 4.17 0.01 . 1 . . . . 44 SER HA . 16614 1 133 . 1 1 15 15 SER HB2 H 1 3.93 0.01 . 2 . . . . 44 SER HB2 . 16614 1 134 . 1 1 15 15 SER HB3 H 1 3.93 0.01 . 2 . . . . 44 SER HB3 . 16614 1 135 . 1 1 15 15 SER C C 13 177.6 0.2 . 1 . . . . 44 SER C . 16614 1 136 . 1 1 15 15 SER CA C 13 62 0.2 . 1 . . . . 44 SER CA . 16614 1 137 . 1 1 15 15 SER CB C 13 61.9 0.2 . 1 . . . . 44 SER CB . 16614 1 138 . 1 1 15 15 SER N N 15 115 0.2 . 1 . . . . 44 SER N . 16614 1 139 . 1 1 16 16 SER H H 1 7.9 0.01 . 1 . . . . 45 SER H . 16614 1 140 . 1 1 16 16 SER HA H 1 4.18 0.01 . 1 . . . . 45 SER HA . 16614 1 141 . 1 1 16 16 SER HB2 H 1 3.92 0.01 . 2 . . . . 45 SER HB2 . 16614 1 142 . 1 1 16 16 SER HB3 H 1 3.92 0.01 . 2 . . . . 45 SER HB3 . 16614 1 143 . 1 1 16 16 SER C C 13 176.9 0.2 . 1 . . . . 45 SER C . 16614 1 144 . 1 1 16 16 SER CA C 13 62 0.2 . 1 . . . . 45 SER CA . 16614 1 145 . 1 1 16 16 SER CB C 13 61.5 0.2 . 1 . . . . 45 SER CB . 16614 1 146 . 1 1 16 16 SER N N 15 118 0.2 . 1 . . . . 45 SER N . 16614 1 147 . 1 1 17 17 ILE H H 1 7.69 0.01 . 1 . . . . 46 ILE H . 16614 1 148 . 1 1 17 17 ILE HA H 1 3.62 0.01 . 1 . . . . 46 ILE HA . 16614 1 149 . 1 1 17 17 ILE HB H 1 1.96 0.01 . 1 . . . . 46 ILE HB . 16614 1 150 . 1 1 17 17 ILE HD11 H 1 0.8 0.01 . 1 . . . . 46 ILE MD . 16614 1 151 . 1 1 17 17 ILE HD12 H 1 0.8 0.01 . 1 . . . . 46 ILE MD . 16614 1 152 . 1 1 17 17 ILE HD13 H 1 0.8 0.01 . 1 . . . . 46 ILE MD . 16614 1 153 . 1 1 17 17 ILE HG12 H 1 1.74 0.01 . 2 . . . . 46 ILE HG12 . 16614 1 154 . 1 1 17 17 ILE HG13 H 1 1.74 0.01 . 2 . . . . 46 ILE HG13 . 16614 1 155 . 1 1 17 17 ILE HG21 H 1 0.85 0.01 . 1 . . . . 46 ILE MG . 16614 1 156 . 1 1 17 17 ILE HG22 H 1 0.85 0.01 . 1 . . . . 46 ILE MG . 16614 1 157 . 1 1 17 17 ILE HG23 H 1 0.85 0.01 . 1 . . . . 46 ILE MG . 16614 1 158 . 1 1 17 17 ILE C C 13 177.9 0.2 . 1 . . . . 46 ILE C . 16614 1 159 . 1 1 17 17 ILE CA C 13 65.6 0.2 . 1 . . . . 46 ILE CA . 16614 1 160 . 1 1 17 17 ILE CB C 13 38.6 0.2 . 1 . . . . 46 ILE CB . 16614 1 161 . 1 1 17 17 ILE CD1 C 13 14.4 0.2 . 1 . . . . 46 ILE CD1 . 16614 1 162 . 1 1 17 17 ILE CG1 C 13 28.6 0.2 . 1 . . . . 46 ILE CG1 . 16614 1 163 . 1 1 17 17 ILE CG2 C 13 17.6 0.2 . 1 . . . . 46 ILE CG2 . 16614 1 164 . 1 1 17 17 ILE N N 15 123.9 0.2 . 1 . . . . 46 ILE N . 16614 1 165 . 1 1 18 18 VAL H H 1 7.49 0.01 . 1 . . . . 47 VAL H . 16614 1 166 . 1 1 18 18 VAL HA H 1 3.48 0.01 . 1 . . . . 47 VAL HA . 16614 1 167 . 1 1 18 18 VAL HB H 1 2.13 0.01 . 1 . . . . 47 VAL HB . 16614 1 168 . 1 1 18 18 VAL HG11 H 1 1.06 0.01 . 2 . . . . 47 VAL MG1 . 16614 1 169 . 1 1 18 18 VAL HG12 H 1 1.06 0.01 . 2 . . . . 47 VAL MG1 . 16614 1 170 . 1 1 18 18 VAL HG13 H 1 1.06 0.01 . 2 . . . . 47 VAL MG1 . 16614 1 171 . 1 1 18 18 VAL HG21 H 1 0.9 0.01 . 2 . . . . 47 VAL MG2 . 16614 1 172 . 1 1 18 18 VAL HG22 H 1 0.9 0.01 . 2 . . . . 47 VAL MG2 . 16614 1 173 . 1 1 18 18 VAL HG23 H 1 0.9 0.01 . 2 . . . . 47 VAL MG2 . 16614 1 174 . 1 1 18 18 VAL C C 13 178.1 0.2 . 1 . . . . 47 VAL C . 16614 1 175 . 1 1 18 18 VAL CA C 13 67.4 0.2 . 1 . . . . 47 VAL CA . 16614 1 176 . 1 1 18 18 VAL CB C 13 32.8 0.2 . 1 . . . . 47 VAL CB . 16614 1 177 . 1 1 18 18 VAL CG1 C 13 24.2 0.2 . 2 . . . . 47 VAL CG1 . 16614 1 178 . 1 1 18 18 VAL CG2 C 13 21.1 0.2 . 2 . . . . 47 VAL CG2 . 16614 1 179 . 1 1 18 18 VAL N N 15 119.1 0.2 . 1 . . . . 47 VAL N . 16614 1 180 . 1 1 19 19 LYS H H 1 7.69 0.01 . 1 . . . . 48 LYS H . 16614 1 181 . 1 1 19 19 LYS HA H 1 3.81 0.01 . 1 . . . . 48 LYS HA . 16614 1 182 . 1 1 19 19 LYS HB2 H 1 1.87 0.01 . 2 . . . . 48 LYS HB2 . 16614 1 183 . 1 1 19 19 LYS HB3 H 1 1.87 0.01 . 2 . . . . 48 LYS HB3 . 16614 1 184 . 1 1 19 19 LYS HD2 H 1 1.62 0.01 . 2 . . . . 48 LYS HD2 . 16614 1 185 . 1 1 19 19 LYS HD3 H 1 1.62 0.01 . 2 . . . . 48 LYS HD3 . 16614 1 186 . 1 1 19 19 LYS HE2 H 1 2.93 0.01 . 2 . . . . 48 LYS HE2 . 16614 1 187 . 1 1 19 19 LYS HE3 H 1 2.93 0.01 . 2 . . . . 48 LYS HE3 . 16614 1 188 . 1 1 19 19 LYS HG2 H 1 1.39 0.01 . 2 . . . . 48 LYS HG2 . 16614 1 189 . 1 1 19 19 LYS HG3 H 1 1.39 0.01 . 2 . . . . 48 LYS HG3 . 16614 1 190 . 1 1 19 19 LYS C C 13 179.9 0.2 . 1 . . . . 48 LYS C . 16614 1 191 . 1 1 19 19 LYS CA C 13 60.2 0.2 . 1 . . . . 48 LYS CA . 16614 1 192 . 1 1 19 19 LYS CB C 13 32.6 0.2 . 1 . . . . 48 LYS CB . 16614 1 193 . 1 1 19 19 LYS CD C 13 29.7 0.2 . 1 . . . . 48 LYS CD . 16614 1 194 . 1 1 19 19 LYS CE C 13 43.7 0.2 . 1 . . . . 48 LYS CE . 16614 1 195 . 1 1 19 19 LYS CG C 13 25.8 0.2 . 1 . . . . 48 LYS CG . 16614 1 196 . 1 1 19 19 LYS N N 15 116.8 0.2 . 1 . . . . 48 LYS N . 16614 1 197 . 1 1 20 20 GLU H H 1 8.19 0.01 . 1 . . . . 49 GLU H . 16614 1 198 . 1 1 20 20 GLU HA H 1 3.99 0.01 . 1 . . . . 49 GLU HA . 16614 1 199 . 1 1 20 20 GLU HB2 H 1 2.17 0.01 . 2 . . . . 49 GLU HB2 . 16614 1 200 . 1 1 20 20 GLU HB3 H 1 2.05 0.01 . 2 . . . . 49 GLU HB3 . 16614 1 201 . 1 1 20 20 GLU HG2 H 1 2.42 0.01 . 2 . . . . 49 GLU HG2 . 16614 1 202 . 1 1 20 20 GLU HG3 H 1 2.11 0.01 . 2 . . . . 49 GLU HG3 . 16614 1 203 . 1 1 20 20 GLU C C 13 179.9 0.2 . 1 . . . . 49 GLU C . 16614 1 204 . 1 1 20 20 GLU CA C 13 59.5 0.2 . 1 . . . . 49 GLU CA . 16614 1 205 . 1 1 20 20 GLU CB C 13 29.8 0.2 . 1 . . . . 49 GLU CB . 16614 1 206 . 1 1 20 20 GLU CG C 13 37 0.2 . 1 . . . . 49 GLU CG . 16614 1 207 . 1 1 20 20 GLU N N 15 120.9 0.2 . 1 . . . . 49 GLU N . 16614 1 208 . 1 1 21 21 ILE H H 1 8 0.01 . 1 . . . . 50 ILE H . 16614 1 209 . 1 1 21 21 ILE HA H 1 3.61 0.01 . 1 . . . . 50 ILE HA . 16614 1 210 . 1 1 21 21 ILE HB H 1 1.93 0.01 . 1 . . . . 50 ILE HB . 16614 1 211 . 1 1 21 21 ILE HD11 H 1 0.78 0.01 . 1 . . . . 50 ILE MD . 16614 1 212 . 1 1 21 21 ILE HD12 H 1 0.78 0.01 . 1 . . . . 50 ILE MD . 16614 1 213 . 1 1 21 21 ILE HD13 H 1 0.78 0.01 . 1 . . . . 50 ILE MD . 16614 1 214 . 1 1 21 21 ILE HG21 H 1 0.8 0.01 . 1 . . . . 50 ILE MG . 16614 1 215 . 1 1 21 21 ILE HG22 H 1 0.8 0.01 . 1 . . . . 50 ILE MG . 16614 1 216 . 1 1 21 21 ILE HG23 H 1 0.8 0.01 . 1 . . . . 50 ILE MG . 16614 1 217 . 1 1 21 21 ILE C C 13 178 0.2 . 1 . . . . 50 ILE C . 16614 1 218 . 1 1 21 21 ILE CA C 13 66.6 0.2 . 1 . . . . 50 ILE CA . 16614 1 219 . 1 1 21 21 ILE CB C 13 38.1 0.2 . 1 . . . . 50 ILE CB . 16614 1 220 . 1 1 21 21 ILE CD1 C 13 14.7 0.2 . 1 . . . . 50 ILE CD1 . 16614 1 221 . 1 1 21 21 ILE CG1 C 13 29.83 0.2 . 1 . . . . 50 ILE CG1 . 16614 1 222 . 1 1 21 21 ILE CG2 C 13 17.4 0.2 . 1 . . . . 50 ILE CG2 . 16614 1 223 . 1 1 21 21 ILE N N 15 119.4 0.2 . 1 . . . . 50 ILE N . 16614 1 224 . 1 1 22 22 ILE H H 1 8.16 0.01 . 1 . . . . 51 ILE H . 16614 1 225 . 1 1 22 22 ILE HA H 1 3.26 0.01 . 1 . . . . 51 ILE HA . 16614 1 226 . 1 1 22 22 ILE HB H 1 1.68 0.01 . 1 . . . . 51 ILE HB . 16614 1 227 . 1 1 22 22 ILE HD11 H 1 0.63 0.01 . 1 . . . . 51 ILE MD . 16614 1 228 . 1 1 22 22 ILE HD12 H 1 0.63 0.01 . 1 . . . . 51 ILE MD . 16614 1 229 . 1 1 22 22 ILE HD13 H 1 0.63 0.01 . 1 . . . . 51 ILE MD . 16614 1 230 . 1 1 22 22 ILE HG12 H 1 0.59 0.01 . 2 . . . . 51 ILE HG12 . 16614 1 231 . 1 1 22 22 ILE HG13 H 1 0.59 0.01 . 2 . . . . 51 ILE HG13 . 16614 1 232 . 1 1 22 22 ILE HG21 H 1 0.77 0.01 . 1 . . . . 51 ILE MG . 16614 1 233 . 1 1 22 22 ILE HG22 H 1 0.77 0.01 . 1 . . . . 51 ILE MG . 16614 1 234 . 1 1 22 22 ILE HG23 H 1 0.77 0.01 . 1 . . . . 51 ILE MG . 16614 1 235 . 1 1 22 22 ILE C C 13 179.2 0.2 . 1 . . . . 51 ILE C . 16614 1 236 . 1 1 22 22 ILE CA C 13 67.2 0.2 . 1 . . . . 51 ILE CA . 16614 1 237 . 1 1 22 22 ILE CB C 13 38.5 0.2 . 1 . . . . 51 ILE CB . 16614 1 238 . 1 1 22 22 ILE CD1 C 13 14.7 0.2 . 1 . . . . 51 ILE CD1 . 16614 1 239 . 1 1 22 22 ILE CG1 C 13 31.3 0.2 . 1 . . . . 51 ILE CG1 . 16614 1 240 . 1 1 22 22 ILE CG2 C 13 17.4 0.2 . 1 . . . . 51 ILE CG2 . 16614 1 241 . 1 1 22 22 ILE N N 15 117.6 0.2 . 1 . . . . 51 ILE N . 16614 1 242 . 1 1 23 23 GLY H H 1 8 0.01 . 1 . . . . 52 GLY H . 16614 1 243 . 1 1 23 23 GLY HA2 H 1 3.91 0.01 . 2 . . . . 52 GLY HA2 . 16614 1 244 . 1 1 23 23 GLY HA3 H 1 3.85 0.01 . 2 . . . . 52 GLY HA3 . 16614 1 245 . 1 1 23 23 GLY C C 13 175.5 0.2 . 1 . . . . 52 GLY C . 16614 1 246 . 1 1 23 23 GLY CA C 13 46.7 0.2 . 1 . . . . 52 GLY CA . 16614 1 247 . 1 1 23 23 GLY N N 15 103.5 0.2 . 1 . . . . 52 GLY N . 16614 1 248 . 1 1 24 24 LYS H H 1 7.44 0.01 . 1 . . . . 53 LYS H . 16614 1 249 . 1 1 24 24 LYS HA H 1 4.25 0.01 . 1 . . . . 53 LYS HA . 16614 1 250 . 1 1 24 24 LYS HB2 H 1 1.78 0.01 . 2 . . . . 53 LYS HB2 . 16614 1 251 . 1 1 24 24 LYS HB3 H 1 1.78 0.01 . 2 . . . . 53 LYS HB3 . 16614 1 252 . 1 1 24 24 LYS C C 13 177.1 0.2 . 1 . . . . 53 LYS C . 16614 1 253 . 1 1 24 24 LYS CA C 13 56.4 0.2 . 1 . . . . 53 LYS CA . 16614 1 254 . 1 1 24 24 LYS CB C 13 33.6 0.2 . 1 . . . . 53 LYS CB . 16614 1 255 . 1 1 24 24 LYS CD C 13 28.6 0.2 . 1 . . . . 53 LYS CD . 16614 1 256 . 1 1 24 24 LYS CE C 13 42.5 0.2 . 1 . . . . 53 LYS CE . 16614 1 257 . 1 1 24 24 LYS CG C 13 25.6 0.2 . 1 . . . . 53 LYS CG . 16614 1 258 . 1 1 24 24 LYS N N 15 119.1 0.2 . 1 . . . . 53 LYS N . 16614 1 259 . 1 1 25 25 LEU H H 1 7.35 0.01 . 1 . . . . 54 LEU H . 16614 1 260 . 1 1 25 25 LEU HA H 1 4.32 0.01 . 1 . . . . 54 LEU HA . 16614 1 261 . 1 1 25 25 LEU HB2 H 1 1.7 0.01 . 2 . . . . 54 LEU HB2 . 16614 1 262 . 1 1 25 25 LEU HB3 H 1 1.08 0.01 . 2 . . . . 54 LEU HB3 . 16614 1 263 . 1 1 25 25 LEU HD21 H 1 0.48 0.01 . 2 . . . . 54 LEU MD2 . 16614 1 264 . 1 1 25 25 LEU HD22 H 1 0.48 0.01 . 2 . . . . 54 LEU MD2 . 16614 1 265 . 1 1 25 25 LEU HD23 H 1 0.48 0.01 . 2 . . . . 54 LEU MD2 . 16614 1 266 . 1 1 25 25 LEU HG H 1 0.54 0.01 . 1 . . . . 54 LEU HG . 16614 1 267 . 1 1 25 25 LEU CA C 13 51.9 0.2 . 1 . . . . 54 LEU CA . 16614 1 268 . 1 1 25 25 LEU CB C 13 42.3 0.2 . 1 . . . . 54 LEU CB . 16614 1 269 . 1 1 25 25 LEU CD2 C 13 22.39 0.2 . 2 . . . . 54 LEU CD2 . 16614 1 270 . 1 1 25 25 LEU CG C 13 25.8 0.2 . 1 . . . . 54 LEU CG . 16614 1 271 . 1 1 25 25 LEU N N 15 120.3 0.2 . 1 . . . . 54 LEU N . 16614 1 272 . 1 1 26 26 PRO HA H 1 4.32 0.01 . 1 . . . . 55 PRO HA . 16614 1 273 . 1 1 26 26 PRO HB2 H 1 2.25 0.01 . 2 . . . . 55 PRO HB2 . 16614 1 274 . 1 1 26 26 PRO HB3 H 1 2.25 0.01 . 2 . . . . 55 PRO HB3 . 16614 1 275 . 1 1 26 26 PRO HD2 H 1 3.63 0.01 . 2 . . . . 55 PRO HD2 . 16614 1 276 . 1 1 26 26 PRO HD3 H 1 3.63 0.01 . 2 . . . . 55 PRO HD3 . 16614 1 277 . 1 1 26 26 PRO HG2 H 1 1.91 0.01 . 2 . . . . 55 PRO HG2 . 16614 1 278 . 1 1 26 26 PRO HG3 H 1 1.91 0.01 . 2 . . . . 55 PRO HG3 . 16614 1 279 . 1 1 26 26 PRO C C 13 176.8 0.2 . 1 . . . . 55 PRO C . 16614 1 280 . 1 1 26 26 PRO CA C 13 62.9 0.2 . 1 . . . . 55 PRO CA . 16614 1 281 . 1 1 26 26 PRO CB C 13 32.1 0.2 . 1 . . . . 55 PRO CB . 16614 1 282 . 1 1 26 26 PRO CD C 13 50.5 0.2 . 1 . . . . 55 PRO CD . 16614 1 283 . 1 1 26 26 PRO CG C 13 27.7 0.2 . 1 . . . . 55 PRO CG . 16614 1 284 . 1 1 27 27 GLU H H 1 8.74 0.01 . 1 . . . . 56 GLU H . 16614 1 285 . 1 1 27 27 GLU HA H 1 4.2 0.01 . 1 . . . . 56 GLU HA . 16614 1 286 . 1 1 27 27 GLU HB2 H 1 1.87 0.01 . 2 . . . . 56 GLU HB2 . 16614 1 287 . 1 1 27 27 GLU HB3 H 1 1.87 0.01 . 2 . . . . 56 GLU HB3 . 16614 1 288 . 1 1 27 27 GLU HG2 H 1 2.23 0.01 . 2 . . . . 56 GLU HG2 . 16614 1 289 . 1 1 27 27 GLU HG3 H 1 2.23 0.01 . 2 . . . . 56 GLU HG3 . 16614 1 290 . 1 1 27 27 GLU CA C 13 55.2 0.2 . 1 . . . . 56 GLU CA . 16614 1 291 . 1 1 27 27 GLU CB C 13 29.8 0.2 . 1 . . . . 56 GLU CB . 16614 1 292 . 1 1 27 27 GLU CG C 13 36.3 0.2 . 1 . . . . 56 GLU CG . 16614 1 293 . 1 1 27 27 GLU N N 15 121.3 0.2 . 1 . . . . 56 GLU N . 16614 1 294 . 1 1 28 28 PRO HA H 1 4.41 0.01 . 1 . . . . 57 PRO HA . 16614 1 295 . 1 1 28 28 PRO C C 13 177 0.2 . 1 . . . . 57 PRO C . 16614 1 296 . 1 1 28 28 PRO CA C 13 63.1 0.2 . 1 . . . . 57 PRO CA . 16614 1 297 . 1 1 28 28 PRO CB C 13 32.4 0.2 . 1 . . . . 57 PRO CB . 16614 1 298 . 1 1 29 29 GLU H H 1 8.68 0.01 . 1 . . . . 58 GLU H . 16614 1 299 . 1 1 29 29 GLU HA H 1 4.14 0.01 . 1 . . . . 58 GLU HA . 16614 1 300 . 1 1 29 29 GLU HB2 H 1 1.97 0.01 . 2 . . . . 58 GLU HB2 . 16614 1 301 . 1 1 29 29 GLU HB3 H 1 1.97 0.01 . 2 . . . . 58 GLU HB3 . 16614 1 302 . 1 1 29 29 GLU HG2 H 1 2.26 0.01 . 2 . . . . 58 GLU HG2 . 16614 1 303 . 1 1 29 29 GLU HG3 H 1 2.26 0.01 . 2 . . . . 58 GLU HG3 . 16614 1 304 . 1 1 29 29 GLU C C 13 177 0.2 . 1 . . . . 58 GLU C . 16614 1 305 . 1 1 29 29 GLU CA C 13 58 0.2 . 1 . . . . 58 GLU CA . 16614 1 306 . 1 1 29 29 GLU CB C 13 30.2 0.2 . 1 . . . . 58 GLU CB . 16614 1 307 . 1 1 29 29 GLU CG C 13 36.6 0.2 . 1 . . . . 58 GLU CG . 16614 1 308 . 1 1 29 29 GLU N N 15 121.3 0.2 . 1 . . . . 58 GLU N . 16614 1 309 . 1 1 30 30 LEU H H 1 8.17 0.01 . 1 . . . . 59 LEU H . 16614 1 310 . 1 1 30 30 LEU HA H 1 4.41 0.01 . 1 . . . . 59 LEU HA . 16614 1 311 . 1 1 30 30 LEU HB2 H 1 1.67 0.01 . 2 . . . . 59 LEU HB2 . 16614 1 312 . 1 1 30 30 LEU HB3 H 1 1.67 0.01 . 2 . . . . 59 LEU HB3 . 16614 1 313 . 1 1 30 30 LEU HD11 H 1 0.86 0.01 . 2 . . . . 59 LEU MD1 . 16614 1 314 . 1 1 30 30 LEU HD12 H 1 0.86 0.01 . 2 . . . . 59 LEU MD1 . 16614 1 315 . 1 1 30 30 LEU HD13 H 1 0.86 0.01 . 2 . . . . 59 LEU MD1 . 16614 1 316 . 1 1 30 30 LEU HD21 H 1 0.86 0.01 . 2 . . . . 59 LEU MD2 . 16614 1 317 . 1 1 30 30 LEU HD22 H 1 0.86 0.01 . 2 . . . . 59 LEU MD2 . 16614 1 318 . 1 1 30 30 LEU HD23 H 1 0.86 0.01 . 2 . . . . 59 LEU MD2 . 16614 1 319 . 1 1 30 30 LEU C C 13 177.4 0.2 . 1 . . . . 59 LEU C . 16614 1 320 . 1 1 30 30 LEU CA C 13 55.2 0.2 . 1 . . . . 59 LEU CA . 16614 1 321 . 1 1 30 30 LEU CB C 13 42.9 0.2 . 1 . . . . 59 LEU CB . 16614 1 322 . 1 1 30 30 LEU N N 15 120.2 0.2 . 1 . . . . 59 LEU N . 16614 1 323 . 1 1 31 31 LYS H H 1 8.5 0.01 . 1 . . . . 60 LYS H . 16614 1 324 . 1 1 31 31 LYS HA H 1 4.36 0.01 . 1 . . . . 60 LYS HA . 16614 1 325 . 1 1 31 31 LYS HB2 H 1 1.8 0.01 . 2 . . . . 60 LYS HB2 . 16614 1 326 . 1 1 31 31 LYS HB3 H 1 1.8 0.01 . 2 . . . . 60 LYS HB3 . 16614 1 327 . 1 1 31 31 LYS HE2 H 1 2.99 0.01 . 2 . . . . 60 LYS HE2 . 16614 1 328 . 1 1 31 31 LYS HE3 H 1 2.99 0.01 . 2 . . . . 60 LYS HE3 . 16614 1 329 . 1 1 31 31 LYS HG2 H 1 1.41 0.01 . 2 . . . . 60 LYS HG2 . 16614 1 330 . 1 1 31 31 LYS HG3 H 1 1.41 0.01 . 2 . . . . 60 LYS HG3 . 16614 1 331 . 1 1 31 31 LYS C C 13 176.9 0.2 . 1 . . . . 60 LYS C . 16614 1 332 . 1 1 31 31 LYS CA C 13 57 0.2 . 1 . . . . 60 LYS CA . 16614 1 333 . 1 1 31 31 LYS CB C 13 32.8 0.2 . 1 . . . . 60 LYS CB . 16614 1 334 . 1 1 31 31 LYS CG C 13 25 0.2 . 1 . . . . 60 LYS CG . 16614 1 335 . 1 1 31 31 LYS N N 15 121.8 0.2 . 1 . . . . 60 LYS N . 16614 1 336 . 1 1 32 32 THR H H 1 7.99 0.01 . 1 . . . . 61 THR H . 16614 1 337 . 1 1 32 32 THR HA H 1 4.35 0.01 . 1 . . . . 61 THR HA . 16614 1 338 . 1 1 32 32 THR HB H 1 4.22 0.01 . 1 . . . . 61 THR HB . 16614 1 339 . 1 1 32 32 THR HG21 H 1 1.19 0.01 . 1 . . . . 61 THR MG . 16614 1 340 . 1 1 32 32 THR HG22 H 1 1.19 0.01 . 1 . . . . 61 THR MG . 16614 1 341 . 1 1 32 32 THR HG23 H 1 1.19 0.01 . 1 . . . . 61 THR MG . 16614 1 342 . 1 1 32 32 THR C C 13 174.6 0.2 . 1 . . . . 61 THR C . 16614 1 343 . 1 1 32 32 THR CA C 13 61.6 0.2 . 1 . . . . 61 THR CA . 16614 1 344 . 1 1 32 32 THR CB C 13 70.1 0.2 . 1 . . . . 61 THR CB . 16614 1 345 . 1 1 32 32 THR CG2 C 13 21.8 0.2 . 1 . . . . 61 THR CG2 . 16614 1 346 . 1 1 32 32 THR N N 15 114 0.2 . 1 . . . . 61 THR N . 16614 1 347 . 1 1 33 33 ASP H H 1 8.36 0.01 . 1 . . . . 62 ASP H . 16614 1 348 . 1 1 33 33 ASP HA H 1 4.56 0.01 . 1 . . . . 62 ASP HA . 16614 1 349 . 1 1 33 33 ASP HB2 H 1 2.53 0.01 . 2 . . . . 62 ASP HB2 . 16614 1 350 . 1 1 33 33 ASP HB3 H 1 2.53 0.01 . 2 . . . . 62 ASP HB3 . 16614 1 351 . 1 1 33 33 ASP C C 13 177 0.2 . 1 . . . . 62 ASP C . 16614 1 352 . 1 1 33 33 ASP CA C 13 54.9 0.2 . 1 . . . . 62 ASP CA . 16614 1 353 . 1 1 33 33 ASP CB C 13 41.6 0.2 . 1 . . . . 62 ASP CB . 16614 1 354 . 1 1 33 33 ASP N N 15 123.4 0.2 . 1 . . . . 62 ASP N . 16614 1 355 . 1 1 34 34 ASP H H 1 8.57 0.01 . 1 . . . . 63 ASP H . 16614 1 356 . 1 1 34 34 ASP HA H 1 4.51 0.01 . 1 . . . . 63 ASP HA . 16614 1 357 . 1 1 34 34 ASP HB2 H 1 2.61 0.01 . 2 . . . . 63 ASP HB2 . 16614 1 358 . 1 1 34 34 ASP HB3 H 1 2.61 0.01 . 2 . . . . 63 ASP HB3 . 16614 1 359 . 1 1 34 34 ASP C C 13 177.9 0.2 . 1 . . . . 63 ASP C . 16614 1 360 . 1 1 34 34 ASP CA C 13 53.9 0.2 . 1 . . . . 63 ASP CA . 16614 1 361 . 1 1 34 34 ASP CB C 13 41.7 0.2 . 1 . . . . 63 ASP CB . 16614 1 362 . 1 1 34 34 ASP N N 15 121.5 0.2 . 1 . . . . 63 ASP N . 16614 1 363 . 1 1 35 35 GLU H H 1 5.95 0.01 . 1 . . . . 64 GLU H . 16614 1 364 . 1 1 35 35 GLU HA H 1 4.51 0.01 . 1 . . . . 64 GLU HA . 16614 1 365 . 1 1 35 35 GLU HB2 H 1 2.59 0.01 . 2 . . . . 64 GLU HB2 . 16614 1 366 . 1 1 35 35 GLU HB3 H 1 2.59 0.01 . 2 . . . . 64 GLU HB3 . 16614 1 367 . 1 1 35 35 GLU HG2 H 1 1.83 0.01 . 2 . . . . 64 GLU HG2 . 16614 1 368 . 1 1 35 35 GLU HG3 H 1 1.83 0.01 . 2 . . . . 64 GLU HG3 . 16614 1 369 . 1 1 35 35 GLU C C 13 178 0.2 . 1 . . . . 64 GLU C . 16614 1 370 . 1 1 35 35 GLU N N 15 108.2 0.2 . 1 . . . . 64 GLU N . 16614 1 371 . 1 1 36 36 GLY H H 1 8.1 0.01 . 1 . . . . 65 GLY H . 16614 1 372 . 1 1 36 36 GLY HA2 H 1 4.07 0.01 . 2 . . . . 65 GLY HA2 . 16614 1 373 . 1 1 36 36 GLY HA3 H 1 3.84 0.01 . 2 . . . . 65 GLY HA3 . 16614 1 374 . 1 1 36 36 GLY C C 13 173.6 0.2 . 1 . . . . 65 GLY C . 16614 1 375 . 1 1 36 36 GLY CA C 13 45.7 0.2 . 1 . . . . 65 GLY CA . 16614 1 376 . 1 1 36 36 GLY N N 15 108.7 0.2 . 1 . . . . 65 GLY N . 16614 1 377 . 1 1 37 37 PRO C C 13 180.5 0.2 . 1 . . . . 66 PRO C . 16614 1 378 . 1 1 38 38 SER H H 1 8.53 0.01 . 1 . . . . 67 SER H . 16614 1 379 . 1 1 38 38 SER HA H 1 4.04 0.01 . 1 . . . . 67 SER HA . 16614 1 380 . 1 1 38 38 SER HB2 H 1 3.52 0.01 . 2 . . . . 67 SER HB2 . 16614 1 381 . 1 1 38 38 SER HB3 H 1 3.52 0.01 . 2 . . . . 67 SER HB3 . 16614 1 382 . 1 1 38 38 SER C C 13 176.6 0.2 . 1 . . . . 67 SER C . 16614 1 383 . 1 1 38 38 SER CA C 13 62.1 0.2 . 1 . . . . 67 SER CA . 16614 1 384 . 1 1 38 38 SER CB C 13 62.7 0.2 . 1 . . . . 67 SER CB . 16614 1 385 . 1 1 38 38 SER N N 15 114.7 0.2 . 1 . . . . 67 SER N . 16614 1 386 . 1 1 39 39 LEU H H 1 7.74 0.01 . 1 . . . . 68 LEU H . 16614 1 387 . 1 1 39 39 LEU HA H 1 4.44 0.01 . 1 . . . . 68 LEU HA . 16614 1 388 . 1 1 39 39 LEU HB2 H 1 1.77 0.01 . 2 . . . . 68 LEU HB2 . 16614 1 389 . 1 1 39 39 LEU HB3 H 1 1.77 0.01 . 2 . . . . 68 LEU HB3 . 16614 1 390 . 1 1 39 39 LEU HD11 H 1 1.04 0.01 . 2 . . . . 68 LEU MD1 . 16614 1 391 . 1 1 39 39 LEU HD12 H 1 1.04 0.01 . 2 . . . . 68 LEU MD1 . 16614 1 392 . 1 1 39 39 LEU HD13 H 1 1.04 0.01 . 2 . . . . 68 LEU MD1 . 16614 1 393 . 1 1 39 39 LEU HD21 H 1 1.04 0.01 . 2 . . . . 68 LEU MD2 . 16614 1 394 . 1 1 39 39 LEU HD22 H 1 1.04 0.01 . 2 . . . . 68 LEU MD2 . 16614 1 395 . 1 1 39 39 LEU HD23 H 1 1.04 0.01 . 2 . . . . 68 LEU MD2 . 16614 1 396 . 1 1 39 39 LEU HG H 1 2.04 0.01 . 1 . . . . 68 LEU HG . 16614 1 397 . 1 1 39 39 LEU C C 13 178.2 0.2 . 1 . . . . 68 LEU C . 16614 1 398 . 1 1 39 39 LEU CA C 13 56.7 0.2 . 1 . . . . 68 LEU CA . 16614 1 399 . 1 1 39 39 LEU CB C 13 43.2 0.2 . 1 . . . . 68 LEU CB . 16614 1 400 . 1 1 39 39 LEU N N 15 118.4 0.2 . 1 . . . . 68 LEU N . 16614 1 401 . 1 1 40 40 ARG H H 1 7.64 0.01 . 1 . . . . 69 ARG H . 16614 1 402 . 1 1 40 40 ARG HA H 1 4.31 0.01 . 1 . . . . 69 ARG HA . 16614 1 403 . 1 1 40 40 ARG HB2 H 1 1.96 0.01 . 2 . . . . 69 ARG HB2 . 16614 1 404 . 1 1 40 40 ARG HB3 H 1 1.96 0.01 . 2 . . . . 69 ARG HB3 . 16614 1 405 . 1 1 40 40 ARG HD2 H 1 2.94 0.01 . 2 . . . . 69 ARG HD2 . 16614 1 406 . 1 1 40 40 ARG HD3 H 1 2.94 0.01 . 2 . . . . 69 ARG HD3 . 16614 1 407 . 1 1 40 40 ARG HG2 H 1 1.75 0.01 . 2 . . . . 69 ARG HG2 . 16614 1 408 . 1 1 40 40 ARG HG3 H 1 1.75 0.01 . 2 . . . . 69 ARG HG3 . 16614 1 409 . 1 1 40 40 ARG C C 13 175.4 0.2 . 1 . . . . 69 ARG C . 16614 1 410 . 1 1 40 40 ARG CA C 13 55.5 0.2 . 1 . . . . 69 ARG CA . 16614 1 411 . 1 1 40 40 ARG N N 15 115 0.2 . 1 . . . . 69 ARG N . 16614 1 412 . 1 1 41 41 ASN H H 1 7.23 0.01 . 1 . . . . 70 ASN H . 16614 1 413 . 1 1 41 41 ASN HA H 1 4.64 0.01 . 1 . . . . 70 ASN HA . 16614 1 414 . 1 1 41 41 ASN HB2 H 1 2.96 0.01 . 2 . . . . 70 ASN HB2 . 16614 1 415 . 1 1 41 41 ASN HB3 H 1 2.82 0.01 . 2 . . . . 70 ASN HB3 . 16614 1 416 . 1 1 41 41 ASN HD21 H 1 7.12 0.01 . 2 . . . . 70 ASN HD21 . 16614 1 417 . 1 1 41 41 ASN HD22 H 1 7.7 0.01 . 2 . . . . 70 ASN HD22 . 16614 1 418 . 1 1 41 41 ASN C C 13 178.1 0.2 . 1 . . . . 70 ASN C . 16614 1 419 . 1 1 41 41 ASN CA C 13 53.9 0.2 . 1 . . . . 70 ASN CA . 16614 1 420 . 1 1 41 41 ASN CB C 13 39.5 0.2 . 1 . . . . 70 ASN CB . 16614 1 421 . 1 1 41 41 ASN N N 15 120.8 0.2 . 1 . . . . 70 ASN N . 16614 1 422 . 1 1 41 41 ASN ND2 N 15 114.3 0.2 . 1 . . . . 70 ASN ND2 . 16614 1 423 . 1 1 42 42 LYS H H 1 9.56 0.01 . 1 . . . . 71 LYS H . 16614 1 424 . 1 1 42 42 LYS HA H 1 4.65 0.01 . 1 . . . . 71 LYS HA . 16614 1 425 . 1 1 42 42 LYS HB2 H 1 2.35 0.01 . 2 . . . . 71 LYS HB2 . 16614 1 426 . 1 1 42 42 LYS HB3 H 1 1.89 0.01 . 2 . . . . 71 LYS HB3 . 16614 1 427 . 1 1 42 42 LYS HE2 H 1 3.78 0.01 . 2 . . . . 71 LYS HE2 . 16614 1 428 . 1 1 42 42 LYS HE3 H 1 3.64 0.01 . 2 . . . . 71 LYS HE3 . 16614 1 429 . 1 1 42 42 LYS HG2 H 1 2.04 0.01 . 2 . . . . 71 LYS HG2 . 16614 1 430 . 1 1 42 42 LYS HG3 H 1 1.88 0.01 . 2 . . . . 71 LYS HG3 . 16614 1 431 . 1 1 42 42 LYS C C 13 179.4 0.2 . 1 . . . . 71 LYS C . 16614 1 432 . 1 1 42 42 LYS CA C 13 60.5 0.2 . 1 . . . . 71 LYS CA . 16614 1 433 . 1 1 42 42 LYS CB C 13 30.4 0.2 . 1 . . . . 71 LYS CB . 16614 1 434 . 1 1 42 42 LYS N N 15 130.7 0.2 . 1 . . . . 71 LYS N . 16614 1 435 . 1 1 43 43 SER H H 1 8.78 0.01 . 1 . . . . 72 SER H . 16614 1 436 . 1 1 43 43 SER HA H 1 4.41 0.01 . 1 . . . . 72 SER HA . 16614 1 437 . 1 1 43 43 SER HB2 H 1 3.86 0.01 . 2 . . . . 72 SER HB2 . 16614 1 438 . 1 1 43 43 SER HB3 H 1 3.86 0.01 . 2 . . . . 72 SER HB3 . 16614 1 439 . 1 1 43 43 SER C C 13 175.7 0.2 . 1 . . . . 72 SER C . 16614 1 440 . 1 1 43 43 SER CA C 13 61.3 0.2 . 1 . . . . 72 SER CA . 16614 1 441 . 1 1 43 43 SER CB C 13 62.9 0.2 . 1 . . . . 72 SER CB . 16614 1 442 . 1 1 43 43 SER N N 15 115.5 0.2 . 1 . . . . 72 SER N . 16614 1 443 . 1 1 44 44 PHE H H 1 7.8 0.01 . 1 . . . . 73 PHE H . 16614 1 444 . 1 1 44 44 PHE HA H 1 4.85 0.01 . 1 . . . . 73 PHE HA . 16614 1 445 . 1 1 44 44 PHE HB2 H 1 3.58 0.01 . 2 . . . . 73 PHE HB2 . 16614 1 446 . 1 1 44 44 PHE HB3 H 1 3.14 0.01 . 2 . . . . 73 PHE HB3 . 16614 1 447 . 1 1 44 44 PHE HD1 H 1 7.19 0.01 . 3 . . . . 73 PHE HD1 . 16614 1 448 . 1 1 44 44 PHE HD2 H 1 7.19 0.01 . 3 . . . . 73 PHE HD2 . 16614 1 449 . 1 1 44 44 PHE C C 13 176 0.2 . 1 . . . . 73 PHE C . 16614 1 450 . 1 1 44 44 PHE CA C 13 56.7 0.2 . 1 . . . . 73 PHE CA . 16614 1 451 . 1 1 44 44 PHE CB C 13 39.6 0.2 . 1 . . . . 73 PHE CB . 16614 1 452 . 1 1 44 44 PHE N N 15 119.2 0.2 . 1 . . . . 73 PHE N . 16614 1 453 . 1 1 45 45 ARG H H 1 7.71 0.01 . 1 . . . . 74 ARG H . 16614 1 454 . 1 1 45 45 ARG HA H 1 4.64 0.01 . 1 . . . . 74 ARG HA . 16614 1 455 . 1 1 45 45 ARG HB2 H 1 2.01 0.01 . 2 . . . . 74 ARG HB2 . 16614 1 456 . 1 1 45 45 ARG HB3 H 1 2.01 0.01 . 2 . . . . 74 ARG HB3 . 16614 1 457 . 1 1 45 45 ARG HD2 H 1 3.36 0.01 . 2 . . . . 74 ARG HD2 . 16614 1 458 . 1 1 45 45 ARG HD3 H 1 2.86 0.01 . 2 . . . . 74 ARG HD3 . 16614 1 459 . 1 1 45 45 ARG C C 13 180.4 0.2 . 1 . . . . 74 ARG C . 16614 1 460 . 1 1 45 45 ARG CA C 13 61.9 0.2 . 1 . . . . 74 ARG CA . 16614 1 461 . 1 1 45 45 ARG N N 15 120 0.2 . 1 . . . . 74 ARG N . 16614 1 462 . 1 1 46 46 ARG H H 1 8.96 0.01 . 1 . . . . 75 ARG H . 16614 1 463 . 1 1 46 46 ARG HA H 1 4.05 0.01 . 1 . . . . 75 ARG HA . 16614 1 464 . 1 1 46 46 ARG HB2 H 1 1.98 0.01 . 2 . . . . 75 ARG HB2 . 16614 1 465 . 1 1 46 46 ARG HB3 H 1 1.98 0.01 . 2 . . . . 75 ARG HB3 . 16614 1 466 . 1 1 46 46 ARG HD2 H 1 3.25 0.01 . 2 . . . . 75 ARG HD2 . 16614 1 467 . 1 1 46 46 ARG HD3 H 1 3.25 0.01 . 2 . . . . 75 ARG HD3 . 16614 1 468 . 1 1 46 46 ARG HE H 1 7.31 0.01 . 1 . . . . 75 ARG HE . 16614 1 469 . 1 1 46 46 ARG HG2 H 1 1.72 0.01 . 2 . . . . 75 ARG HG2 . 16614 1 470 . 1 1 46 46 ARG HG3 H 1 1.72 0.01 . 2 . . . . 75 ARG HG3 . 16614 1 471 . 1 1 46 46 ARG C C 13 179 0.2 . 1 . . . . 75 ARG C . 16614 1 472 . 1 1 46 46 ARG CA C 13 61 0.2 . 1 . . . . 75 ARG CA . 16614 1 473 . 1 1 46 46 ARG CB C 13 29.4 0.2 . 1 . . . . 75 ARG CB . 16614 1 474 . 1 1 46 46 ARG CD C 13 43 0.2 . 1 . . . . 75 ARG CD . 16614 1 475 . 1 1 46 46 ARG N N 15 121.3 0.2 . 1 . . . . 75 ARG N . 16614 1 476 . 1 1 46 46 ARG NE N 15 82.8 0.2 . 1 . . . . 75 ARG NE . 16614 1 477 . 1 1 47 47 VAL H H 1 8.52 0.01 . 1 . . . . 76 VAL H . 16614 1 478 . 1 1 47 47 VAL HA H 1 4.01 0.01 . 1 . . . . 76 VAL HA . 16614 1 479 . 1 1 47 47 VAL HB H 1 2.04 0.01 . 1 . . . . 76 VAL HB . 16614 1 480 . 1 1 47 47 VAL HG11 H 1 0.96 0.01 . 2 . . . . 76 VAL MG1 . 16614 1 481 . 1 1 47 47 VAL HG12 H 1 0.96 0.01 . 2 . . . . 76 VAL MG1 . 16614 1 482 . 1 1 47 47 VAL HG13 H 1 0.96 0.01 . 2 . . . . 76 VAL MG1 . 16614 1 483 . 1 1 47 47 VAL HG21 H 1 0.96 0.01 . 2 . . . . 76 VAL MG2 . 16614 1 484 . 1 1 47 47 VAL HG22 H 1 0.96 0.01 . 2 . . . . 76 VAL MG2 . 16614 1 485 . 1 1 47 47 VAL HG23 H 1 0.96 0.01 . 2 . . . . 76 VAL MG2 . 16614 1 486 . 1 1 47 47 VAL C C 13 175.5 0.2 . 1 . . . . 76 VAL C . 16614 1 487 . 1 1 47 47 VAL CA C 13 65.5 0.2 . 1 . . . . 76 VAL CA . 16614 1 488 . 1 1 47 47 VAL CB C 13 32.7 0.2 . 1 . . . . 76 VAL CB . 16614 1 489 . 1 1 47 47 VAL CG1 C 13 21.7 0.2 . 2 . . . . 76 VAL CG1 . 16614 1 490 . 1 1 47 47 VAL CG2 C 13 21.7 0.2 . 2 . . . . 76 VAL CG2 . 16614 1 491 . 1 1 47 47 VAL N N 15 120.8 0.2 . 1 . . . . 76 VAL N . 16614 1 492 . 1 1 48 48 ASN H H 1 8.63 0.01 . 1 . . . . 77 ASN H . 16614 1 493 . 1 1 48 48 ASN HA H 1 4.33 0.01 . 1 . . . . 77 ASN HA . 16614 1 494 . 1 1 48 48 ASN HB2 H 1 2.93 0.01 . 2 . . . . 77 ASN HB2 . 16614 1 495 . 1 1 48 48 ASN HB3 H 1 2.93 0.01 . 2 . . . . 77 ASN HB3 . 16614 1 496 . 1 1 48 48 ASN C C 13 177 0.2 . 1 . . . . 77 ASN C . 16614 1 497 . 1 1 48 48 ASN CA C 13 56.4 0.2 . 1 . . . . 77 ASN CA . 16614 1 498 . 1 1 48 48 ASN N N 15 120.4 0.2 . 1 . . . . 77 ASN N . 16614 1 499 . 1 1 49 49 LEU H H 1 7.79 0.01 . 1 . . . . 78 LEU H . 16614 1 500 . 1 1 49 49 LEU HA H 1 4.09 0.01 . 1 . . . . 78 LEU HA . 16614 1 501 . 1 1 49 49 LEU HB2 H 1 2.02 0.01 . 2 . . . . 78 LEU HB2 . 16614 1 502 . 1 1 49 49 LEU HB3 H 1 2.02 0.01 . 2 . . . . 78 LEU HB3 . 16614 1 503 . 1 1 49 49 LEU HD11 H 1 0.97 0.01 . 2 . . . . 78 LEU MD1 . 16614 1 504 . 1 1 49 49 LEU HD12 H 1 0.97 0.01 . 2 . . . . 78 LEU MD1 . 16614 1 505 . 1 1 49 49 LEU HD13 H 1 0.97 0.01 . 2 . . . . 78 LEU MD1 . 16614 1 506 . 1 1 49 49 LEU HD21 H 1 0.97 0.01 . 2 . . . . 78 LEU MD2 . 16614 1 507 . 1 1 49 49 LEU HD22 H 1 0.97 0.01 . 2 . . . . 78 LEU MD2 . 16614 1 508 . 1 1 49 49 LEU HD23 H 1 0.97 0.01 . 2 . . . . 78 LEU MD2 . 16614 1 509 . 1 1 49 49 LEU HG H 1 1.72 0.01 . 1 . . . . 78 LEU HG . 16614 1 510 . 1 1 49 49 LEU C C 13 178.7 0.2 . 1 . . . . 78 LEU C . 16614 1 511 . 1 1 49 49 LEU CA C 13 59.6 0.2 . 1 . . . . 78 LEU CA . 16614 1 512 . 1 1 49 49 LEU CB C 13 40.3 0.2 . 1 . . . . 78 LEU CB . 16614 1 513 . 1 1 49 49 LEU N N 15 120.9 0.2 . 1 . . . . 78 LEU N . 16614 1 514 . 1 1 50 50 SER H H 1 8.06 0.01 . 1 . . . . 79 SER H . 16614 1 515 . 1 1 50 50 SER HA H 1 4.14 0.01 . 1 . . . . 79 SER HA . 16614 1 516 . 1 1 50 50 SER HB2 H 1 3.99 0.01 . 2 . . . . 79 SER HB2 . 16614 1 517 . 1 1 50 50 SER HB3 H 1 3.99 0.01 . 2 . . . . 79 SER HB3 . 16614 1 518 . 1 1 50 50 SER C C 13 177.2 0.2 . 1 . . . . 79 SER C . 16614 1 519 . 1 1 50 50 SER CA C 13 62.2 0.2 . 1 . . . . 79 SER CA . 16614 1 520 . 1 1 50 50 SER CB C 13 63 0.2 . 1 . . . . 79 SER CB . 16614 1 521 . 1 1 50 50 SER N N 15 112.7 0.2 . 1 . . . . 79 SER N . 16614 1 522 . 1 1 51 51 LYS H H 1 7.69 0.01 . 1 . . . . 80 LYS H . 16614 1 523 . 1 1 51 51 LYS HA H 1 4.22 0.01 . 1 . . . . 80 LYS HA . 16614 1 524 . 1 1 51 51 LYS HB2 H 1 1.69 0.01 . 2 . . . . 80 LYS HB2 . 16614 1 525 . 1 1 51 51 LYS HB3 H 1 1.69 0.01 . 2 . . . . 80 LYS HB3 . 16614 1 526 . 1 1 51 51 LYS HD2 H 1 1.48 0.01 . 2 . . . . 80 LYS HD2 . 16614 1 527 . 1 1 51 51 LYS HD3 H 1 1.48 0.01 . 2 . . . . 80 LYS HD3 . 16614 1 528 . 1 1 51 51 LYS HG2 H 1 1.02 0.01 . 2 . . . . 80 LYS HG2 . 16614 1 529 . 1 1 51 51 LYS HG3 H 1 1.02 0.01 . 2 . . . . 80 LYS HG3 . 16614 1 530 . 1 1 51 51 LYS C C 13 177.8 0.2 . 1 . . . . 80 LYS C . 16614 1 531 . 1 1 51 51 LYS CA C 13 57.6 0.2 . 1 . . . . 80 LYS CA . 16614 1 532 . 1 1 51 51 LYS CB C 13 30.8 0.2 . 1 . . . . 80 LYS CB . 16614 1 533 . 1 1 51 51 LYS CG C 13 23.8 0.2 . 1 . . . . 80 LYS CG . 16614 1 534 . 1 1 51 51 LYS N N 15 122.2 0.2 . 1 . . . . 80 LYS N . 16614 1 535 . 1 1 52 52 PHE H H 1 8.34 0.01 . 1 . . . . 81 PHE H . 16614 1 536 . 1 1 52 52 PHE HA H 1 4.16 0.01 . 1 . . . . 81 PHE HA . 16614 1 537 . 1 1 52 52 PHE HB2 H 1 3.68 0.01 . 2 . . . . 81 PHE HB2 . 16614 1 538 . 1 1 52 52 PHE HB3 H 1 3.03 0.01 . 2 . . . . 81 PHE HB3 . 16614 1 539 . 1 1 52 52 PHE HD1 H 1 6.7 0.01 . 3 . . . . 81 PHE HD1 . 16614 1 540 . 1 1 52 52 PHE HD2 H 1 6.7 0.01 . 3 . . . . 81 PHE HD2 . 16614 1 541 . 1 1 52 52 PHE HE1 H 1 7.28 0.01 . 3 . . . . 81 PHE HE1 . 16614 1 542 . 1 1 52 52 PHE HE2 H 1 7.28 0.01 . 3 . . . . 81 PHE HE2 . 16614 1 543 . 1 1 52 52 PHE HZ H 1 6.49 0.01 . 1 . . . . 81 PHE HZ . 16614 1 544 . 1 1 52 52 PHE C C 13 178.3 0.2 . 1 . . . . 81 PHE C . 16614 1 545 . 1 1 52 52 PHE CA C 13 63.8 0.2 . 1 . . . . 81 PHE CA . 16614 1 546 . 1 1 52 52 PHE CB C 13 38.9 0.2 . 1 . . . . 81 PHE CB . 16614 1 547 . 1 1 52 52 PHE N N 15 120.9 0.2 . 1 . . . . 81 PHE N . 16614 1 548 . 1 1 53 53 VAL H H 1 8.73 0.01 . 1 . . . . 82 VAL H . 16614 1 549 . 1 1 53 53 VAL HA H 1 3.76 0.01 . 1 . . . . 82 VAL HA . 16614 1 550 . 1 1 53 53 VAL HB H 1 2.24 0.01 . 1 . . . . 82 VAL HB . 16614 1 551 . 1 1 53 53 VAL HG11 H 1 0.97 0.01 . 2 . . . . 82 VAL MG1 . 16614 1 552 . 1 1 53 53 VAL HG12 H 1 0.97 0.01 . 2 . . . . 82 VAL MG1 . 16614 1 553 . 1 1 53 53 VAL HG13 H 1 0.97 0.01 . 2 . . . . 82 VAL MG1 . 16614 1 554 . 1 1 53 53 VAL HG21 H 1 1.08 0.01 . 2 . . . . 82 VAL MG2 . 16614 1 555 . 1 1 53 53 VAL HG22 H 1 1.08 0.01 . 2 . . . . 82 VAL MG2 . 16614 1 556 . 1 1 53 53 VAL HG23 H 1 1.08 0.01 . 2 . . . . 82 VAL MG2 . 16614 1 557 . 1 1 53 53 VAL C C 13 179.9 0.2 . 1 . . . . 82 VAL C . 16614 1 558 . 1 1 53 53 VAL CA C 13 67.1 0.2 . 1 . . . . 82 VAL CA . 16614 1 559 . 1 1 53 53 VAL CB C 13 32.3 0.2 . 1 . . . . 82 VAL CB . 16614 1 560 . 1 1 53 53 VAL CG1 C 13 21.1 0.2 . 2 . . . . 82 VAL CG1 . 16614 1 561 . 1 1 53 53 VAL CG2 C 13 23.6 0.2 . 2 . . . . 82 VAL CG2 . 16614 1 562 . 1 1 53 53 VAL N N 15 119.9 0.2 . 1 . . . . 82 VAL N . 16614 1 563 . 1 1 54 54 GLU H H 1 8.19 0.01 . 1 . . . . 83 GLU H . 16614 1 564 . 1 1 54 54 GLU HA H 1 4.08 0.01 . 1 . . . . 83 GLU HA . 16614 1 565 . 1 1 54 54 GLU HB2 H 1 2.15 0.01 . 2 . . . . 83 GLU HB2 . 16614 1 566 . 1 1 54 54 GLU HB3 H 1 2.15 0.01 . 2 . . . . 83 GLU HB3 . 16614 1 567 . 1 1 54 54 GLU HG2 H 1 2.38 0.01 . 2 . . . . 83 GLU HG2 . 16614 1 568 . 1 1 54 54 GLU HG3 H 1 2.22 0.01 . 2 . . . . 83 GLU HG3 . 16614 1 569 . 1 1 54 54 GLU C C 13 176.2 0.2 . 1 . . . . 83 GLU C . 16614 1 570 . 1 1 54 54 GLU CA C 13 59.4 0.2 . 1 . . . . 83 GLU CA . 16614 1 571 . 1 1 54 54 GLU CB C 13 30.5 0.2 . 1 . . . . 83 GLU CB . 16614 1 572 . 1 1 54 54 GLU CG C 13 35.7 0.2 . 1 . . . . 83 GLU CG . 16614 1 573 . 1 1 54 54 GLU N N 15 119.8 0.2 . 1 . . . . 83 GLU N . 16614 1 574 . 1 1 55 55 SER H H 1 8.78 0.01 . 1 . . . . 84 SER H . 16614 1 575 . 1 1 55 55 SER HA H 1 4.23 0.01 . 1 . . . . 84 SER HA . 16614 1 576 . 1 1 55 55 SER HB2 H 1 4.02 0.01 . 2 . . . . 84 SER HB2 . 16614 1 577 . 1 1 55 55 SER HB3 H 1 4.02 0.01 . 2 . . . . 84 SER HB3 . 16614 1 578 . 1 1 55 55 SER C C 13 177.4 0.2 . 1 . . . . 84 SER C . 16614 1 579 . 1 1 55 55 SER CA C 13 62.1 0.2 . 1 . . . . 84 SER CA . 16614 1 580 . 1 1 55 55 SER CB C 13 63.9 0.2 . 1 . . . . 84 SER CB . 16614 1 581 . 1 1 55 55 SER N N 15 114.7 0.2 . 1 . . . . 84 SER N . 16614 1 582 . 1 1 56 56 GLN H H 1 8.4 0.01 . 1 . . . . 85 GLN H . 16614 1 583 . 1 1 56 56 GLN HA H 1 3.03 0.01 . 1 . . . . 85 GLN HA . 16614 1 584 . 1 1 56 56 GLN HB2 H 1 2.2 0.01 . 2 . . . . 85 GLN HB2 . 16614 1 585 . 1 1 56 56 GLN HB3 H 1 2.05 0.01 . 2 . . . . 85 GLN HB3 . 16614 1 586 . 1 1 56 56 GLN HG2 H 1 2.44 0.01 . 2 . . . . 85 GLN HG2 . 16614 1 587 . 1 1 56 56 GLN HG3 H 1 2.44 0.01 . 2 . . . . 85 GLN HG3 . 16614 1 588 . 1 1 56 56 GLN C C 13 177.8 0.2 . 1 . . . . 85 GLN C . 16614 1 589 . 1 1 56 56 GLN CA C 13 60.2 0.2 . 1 . . . . 85 GLN CA . 16614 1 590 . 1 1 56 56 GLN CB C 13 27 0.2 . 1 . . . . 85 GLN CB . 16614 1 591 . 1 1 56 56 GLN CG C 13 34.5 0.2 . 1 . . . . 85 GLN CG . 16614 1 592 . 1 1 56 56 GLN N N 15 121.9 0.2 . 1 . . . . 85 GLN N . 16614 1 593 . 1 1 57 57 GLY H H 1 7.52 0.01 . 1 . . . . 86 GLY H . 16614 1 594 . 1 1 57 57 GLY HA2 H 1 3.85 0.01 . 2 . . . . 86 GLY HA2 . 16614 1 595 . 1 1 57 57 GLY HA3 H 1 3.75 0.01 . 2 . . . . 86 GLY HA3 . 16614 1 596 . 1 1 57 57 GLY C C 13 174.6 0.2 . 1 . . . . 86 GLY C . 16614 1 597 . 1 1 57 57 GLY CA C 13 47.2 0.2 . 1 . . . . 86 GLY CA . 16614 1 598 . 1 1 57 57 GLY N N 15 101.8 0.2 . 1 . . . . 86 GLY N . 16614 1 599 . 1 1 58 58 GLU H H 1 7.38 0.01 . 1 . . . . 87 GLU H . 16614 1 600 . 1 1 58 58 GLU HA H 1 4.28 0.01 . 1 . . . . 87 GLU HA . 16614 1 601 . 1 1 58 58 GLU HB2 H 1 2.17 0.01 . 2 . . . . 87 GLU HB2 . 16614 1 602 . 1 1 58 58 GLU HB3 H 1 2.09 0.01 . 2 . . . . 87 GLU HB3 . 16614 1 603 . 1 1 58 58 GLU HG2 H 1 2.34 0.01 . 2 . . . . 87 GLU HG2 . 16614 1 604 . 1 1 58 58 GLU HG3 H 1 2.18 0.01 . 2 . . . . 87 GLU HG3 . 16614 1 605 . 1 1 58 58 GLU C C 13 178.5 0.2 . 1 . . . . 87 GLU C . 16614 1 606 . 1 1 58 58 GLU CA C 13 58 0.2 . 1 . . . . 87 GLU CA . 16614 1 607 . 1 1 58 58 GLU CB C 13 30.8 0.2 . 1 . . . . 87 GLU CB . 16614 1 608 . 1 1 58 58 GLU CG C 13 35.9 0.2 . 1 . . . . 87 GLU CG . 16614 1 609 . 1 1 58 58 GLU N N 15 117.3 0.2 . 1 . . . . 87 GLU N . 16614 1 610 . 1 1 59 59 VAL H H 1 7.7 0.01 . 1 . . . . 88 VAL H . 16614 1 611 . 1 1 59 59 VAL HA H 1 4.32 0.01 . 1 . . . . 88 VAL HA . 16614 1 612 . 1 1 59 59 VAL HB H 1 2.03 0.01 . 1 . . . . 88 VAL HB . 16614 1 613 . 1 1 59 59 VAL HG11 H 1 0.35 0.01 . 2 . . . . 88 VAL MG1 . 16614 1 614 . 1 1 59 59 VAL HG12 H 1 0.35 0.01 . 2 . . . . 88 VAL MG1 . 16614 1 615 . 1 1 59 59 VAL HG13 H 1 0.35 0.01 . 2 . . . . 88 VAL MG1 . 16614 1 616 . 1 1 59 59 VAL HG21 H 1 0.72 0.01 . 2 . . . . 88 VAL MG2 . 16614 1 617 . 1 1 59 59 VAL HG22 H 1 0.72 0.01 . 2 . . . . 88 VAL MG2 . 16614 1 618 . 1 1 59 59 VAL HG23 H 1 0.72 0.01 . 2 . . . . 88 VAL MG2 . 16614 1 619 . 1 1 59 59 VAL C C 13 175.3 0.2 . 1 . . . . 88 VAL C . 16614 1 620 . 1 1 59 59 VAL CA C 13 61.5 0.2 . 1 . . . . 88 VAL CA . 16614 1 621 . 1 1 59 59 VAL CB C 13 32.8 0.2 . 1 . . . . 88 VAL CB . 16614 1 622 . 1 1 59 59 VAL CG1 C 13 18.3 0.2 . 2 . . . . 88 VAL CG1 . 16614 1 623 . 1 1 59 59 VAL CG2 C 13 21.4 0.2 . 2 . . . . 88 VAL CG2 . 16614 1 624 . 1 1 59 59 VAL N N 15 107.9 0.2 . 1 . . . . 88 VAL N . 16614 1 625 . 1 1 60 60 ASP H H 1 8.37 0.01 . 1 . . . . 89 ASP H . 16614 1 626 . 1 1 60 60 ASP HA H 1 5.09 0.01 . 1 . . . . 89 ASP HA . 16614 1 627 . 1 1 60 60 ASP HB2 H 1 2.45 0.01 . 2 . . . . 89 ASP HB2 . 16614 1 628 . 1 1 60 60 ASP HB3 H 1 2.24 0.01 . 2 . . . . 89 ASP HB3 . 16614 1 629 . 1 1 60 60 ASP CA C 13 53.02 0.2 . 1 . . . . 89 ASP CA . 16614 1 630 . 1 1 60 60 ASP CB C 13 42.7 0.2 . 1 . . . . 89 ASP CB . 16614 1 631 . 1 1 60 60 ASP N N 15 120.9 0.2 . 1 . . . . 89 ASP N . 16614 1 632 . 1 1 61 61 PRO HA H 1 4.22 0.01 . 1 . . . . 90 PRO HA . 16614 1 633 . 1 1 61 61 PRO HB2 H 1 2.38 0.01 . 2 . . . . 90 PRO HB2 . 16614 1 634 . 1 1 61 61 PRO HB3 H 1 1.99 0.01 . 2 . . . . 90 PRO HB3 . 16614 1 635 . 1 1 61 61 PRO HD2 H 1 3.66 0.01 . 2 . . . . 90 PRO HD2 . 16614 1 636 . 1 1 61 61 PRO HD3 H 1 3.16 0.01 . 2 . . . . 90 PRO HD3 . 16614 1 637 . 1 1 61 61 PRO HG2 H 1 2 0.01 . 2 . . . . 90 PRO HG2 . 16614 1 638 . 1 1 61 61 PRO HG3 H 1 2 0.01 . 2 . . . . 90 PRO HG3 . 16614 1 639 . 1 1 61 61 PRO C C 13 178.4 0.2 . 1 . . . . 90 PRO C . 16614 1 640 . 1 1 61 61 PRO CA C 13 65.3 0.2 . 1 . . . . 90 PRO CA . 16614 1 641 . 1 1 61 61 PRO CB C 13 31.8 0.2 . 1 . . . . 90 PRO CB . 16614 1 642 . 1 1 61 61 PRO CD C 13 50.4 0.2 . 1 . . . . 90 PRO CD . 16614 1 643 . 1 1 61 61 PRO CG C 13 27.7 0.2 . 1 . . . . 90 PRO CG . 16614 1 644 . 1 1 62 62 GLU H H 1 8.86 0.01 . 1 . . . . 91 GLU H . 16614 1 645 . 1 1 62 62 GLU HA H 1 4.25 0.01 . 1 . . . . 91 GLU HA . 16614 1 646 . 1 1 62 62 GLU HB2 H 1 2.11 0.01 . 2 . . . . 91 GLU HB2 . 16614 1 647 . 1 1 62 62 GLU HB3 H 1 1.89 0.01 . 2 . . . . 91 GLU HB3 . 16614 1 648 . 1 1 62 62 GLU HG2 H 1 2.12 0.01 . 2 . . . . 91 GLU HG2 . 16614 1 649 . 1 1 62 62 GLU HG3 H 1 2.12 0.01 . 2 . . . . 91 GLU HG3 . 16614 1 650 . 1 1 62 62 GLU C C 13 176.7 0.2 . 1 . . . . 91 GLU C . 16614 1 651 . 1 1 62 62 GLU CA C 13 56.3 0.2 . 1 . . . . 91 GLU CA . 16614 1 652 . 1 1 62 62 GLU CB C 13 29.1 0.2 . 1 . . . . 91 GLU CB . 16614 1 653 . 1 1 62 62 GLU CG C 13 36.5 0.2 . 1 . . . . 91 GLU CG . 16614 1 654 . 1 1 62 62 GLU N N 15 117 0.2 . 1 . . . . 91 GLU N . 16614 1 655 . 1 1 63 63 ASP H H 1 7.98 0.01 . 1 . . . . 92 ASP H . 16614 1 656 . 1 1 63 63 ASP HA H 1 4.49 0.01 . 1 . . . . 92 ASP HA . 16614 1 657 . 1 1 63 63 ASP HB2 H 1 3.17 0.01 . 2 . . . . 92 ASP HB2 . 16614 1 658 . 1 1 63 63 ASP HB3 H 1 2.18 0.01 . 2 . . . . 92 ASP HB3 . 16614 1 659 . 1 1 63 63 ASP C C 13 178.7 0.2 . 1 . . . . 92 ASP C . 16614 1 660 . 1 1 63 63 ASP CA C 13 54.8 0.2 . 1 . . . . 92 ASP CA . 16614 1 661 . 1 1 63 63 ASP CB C 13 39.5 0.2 . 1 . . . . 92 ASP CB . 16614 1 662 . 1 1 63 63 ASP N N 15 121 0.2 . 1 . . . . 92 ASP N . 16614 1 663 . 1 1 64 64 ARG H H 1 10.21 0.01 . 1 . . . . 93 ARG H . 16614 1 664 . 1 1 64 64 ARG HA H 1 3.82 0.01 . 1 . . . . 93 ARG HA . 16614 1 665 . 1 1 64 64 ARG HB2 H 1 1.57 0.01 . 2 . . . . 93 ARG HB2 . 16614 1 666 . 1 1 64 64 ARG HB3 H 1 1.38 0.01 . 2 . . . . 93 ARG HB3 . 16614 1 667 . 1 1 64 64 ARG HD2 H 1 2.89 0.01 . 2 . . . . 93 ARG HD2 . 16614 1 668 . 1 1 64 64 ARG HD3 H 1 2.89 0.01 . 2 . . . . 93 ARG HD3 . 16614 1 669 . 1 1 64 64 ARG HE H 1 7.12 0.01 . 1 . . . . 93 ARG HE . 16614 1 670 . 1 1 64 64 ARG HG2 H 1 1.22 0.01 . 2 . . . . 93 ARG HG2 . 16614 1 671 . 1 1 64 64 ARG HG3 H 1 0.66 0.01 . 2 . . . . 93 ARG HG3 . 16614 1 672 . 1 1 64 64 ARG C C 13 178.4 0.2 . 1 . . . . 93 ARG C . 16614 1 673 . 1 1 64 64 ARG CA C 13 59.3 0.2 . 1 . . . . 93 ARG CA . 16614 1 674 . 1 1 64 64 ARG CB C 13 30 0.2 . 1 . . . . 93 ARG CB . 16614 1 675 . 1 1 64 64 ARG CD C 13 43.5 0.2 . 1 . . . . 93 ARG CD . 16614 1 676 . 1 1 64 64 ARG CG C 13 25.6 0.2 . 1 . . . . 93 ARG CG . 16614 1 677 . 1 1 64 64 ARG N N 15 123.3 0.2 . 1 . . . . 93 ARG N . 16614 1 678 . 1 1 64 64 ARG NE N 15 84.4 0.2 . 1 . . . . 93 ARG NE . 16614 1 679 . 1 1 65 65 TYR H H 1 10.26 0.01 . 1 . . . . 94 TYR H . 16614 1 680 . 1 1 65 65 TYR HA H 1 4.54 0.01 . 1 . . . . 94 TYR HA . 16614 1 681 . 1 1 65 65 TYR HB2 H 1 3.3 0.01 . 2 . . . . 94 TYR HB2 . 16614 1 682 . 1 1 65 65 TYR HB3 H 1 2.87 0.01 . 2 . . . . 94 TYR HB3 . 16614 1 683 . 1 1 65 65 TYR HD1 H 1 7.22 0.01 . 3 . . . . 94 TYR HD1 . 16614 1 684 . 1 1 65 65 TYR HD2 H 1 7.22 0.01 . 3 . . . . 94 TYR HD2 . 16614 1 685 . 1 1 65 65 TYR HE1 H 1 6.76 0.01 . 3 . . . . 94 TYR HE1 . 16614 1 686 . 1 1 65 65 TYR HE2 H 1 6.76 0.01 . 3 . . . . 94 TYR HE2 . 16614 1 687 . 1 1 65 65 TYR C C 13 175.5 0.2 . 1 . . . . 94 TYR C . 16614 1 688 . 1 1 65 65 TYR CA C 13 58 0.2 . 1 . . . . 94 TYR CA . 16614 1 689 . 1 1 65 65 TYR CB C 13 37.7 0.2 . 1 . . . . 94 TYR CB . 16614 1 690 . 1 1 65 65 TYR N N 15 120.9 0.2 . 1 . . . . 94 TYR N . 16614 1 691 . 1 1 66 66 VAL H H 1 8.07 0.01 . 1 . . . . 95 VAL H . 16614 1 692 . 1 1 66 66 VAL HA H 1 3.7 0.01 . 1 . . . . 95 VAL HA . 16614 1 693 . 1 1 66 66 VAL HB H 1 2.47 0.01 . 1 . . . . 95 VAL HB . 16614 1 694 . 1 1 66 66 VAL HG11 H 1 0.85 0.01 . 2 . . . . 95 VAL MG1 . 16614 1 695 . 1 1 66 66 VAL HG12 H 1 0.85 0.01 . 2 . . . . 95 VAL MG1 . 16614 1 696 . 1 1 66 66 VAL HG13 H 1 0.85 0.01 . 2 . . . . 95 VAL MG1 . 16614 1 697 . 1 1 66 66 VAL HG21 H 1 1 0.01 . 2 . . . . 95 VAL MG2 . 16614 1 698 . 1 1 66 66 VAL HG22 H 1 1 0.01 . 2 . . . . 95 VAL MG2 . 16614 1 699 . 1 1 66 66 VAL HG23 H 1 1 0.01 . 2 . . . . 95 VAL MG2 . 16614 1 700 . 1 1 66 66 VAL C C 13 176.1 0.2 . 1 . . . . 95 VAL C . 16614 1 701 . 1 1 66 66 VAL CA C 13 63.5 0.2 . 1 . . . . 95 VAL CA . 16614 1 702 . 1 1 66 66 VAL CB C 13 28.4 0.2 . 1 . . . . 95 VAL CB . 16614 1 703 . 1 1 66 66 VAL CG1 C 13 21.1 0.2 . 2 . . . . 95 VAL CG1 . 16614 1 704 . 1 1 66 66 VAL CG2 C 13 24 0.2 . 2 . . . . 95 VAL CG2 . 16614 1 705 . 1 1 66 66 VAL N N 15 120.6 0.2 . 1 . . . . 95 VAL N . 16614 1 706 . 1 1 67 67 ILE H H 1 9.35 0.01 . 1 . . . . 96 ILE H . 16614 1 707 . 1 1 67 67 ILE HA H 1 3.69 0.01 . 1 . . . . 96 ILE HA . 16614 1 708 . 1 1 67 67 ILE HB H 1 2.05 0.01 . 1 . . . . 96 ILE HB . 16614 1 709 . 1 1 67 67 ILE HD11 H 1 0.9 0.01 . 1 . . . . 96 ILE MD . 16614 1 710 . 1 1 67 67 ILE HD12 H 1 0.9 0.01 . 1 . . . . 96 ILE MD . 16614 1 711 . 1 1 67 67 ILE HD13 H 1 0.9 0.01 . 1 . . . . 96 ILE MD . 16614 1 712 . 1 1 67 67 ILE HG12 H 1 1.4 0.01 . 2 . . . . 96 ILE HG12 . 16614 1 713 . 1 1 67 67 ILE HG13 H 1 1.4 0.01 . 2 . . . . 96 ILE HG13 . 16614 1 714 . 1 1 67 67 ILE C C 13 176.7 0.2 . 1 . . . . 96 ILE C . 16614 1 715 . 1 1 67 67 ILE CA C 13 61.8 0.2 . 1 . . . . 96 ILE CA . 16614 1 716 . 1 1 67 67 ILE CB C 13 41 0.2 . 1 . . . . 96 ILE CB . 16614 1 717 . 1 1 67 67 ILE CD1 C 13 15.5 0.2 . 1 . . . . 96 ILE CD1 . 16614 1 718 . 1 1 67 67 ILE N N 15 114.4 0.2 . 1 . . . . 96 ILE N . 16614 1 719 . 1 1 68 68 LYS H H 1 9.05 0.01 . 1 . . . . 97 LYS H . 16614 1 720 . 1 1 68 68 LYS HA H 1 3.96 0.01 . 1 . . . . 97 LYS HA . 16614 1 721 . 1 1 68 68 LYS HB2 H 1 1.73 0.01 . 2 . . . . 97 LYS HB2 . 16614 1 722 . 1 1 68 68 LYS HB3 H 1 1.73 0.01 . 2 . . . . 97 LYS HB3 . 16614 1 723 . 1 1 68 68 LYS C C 13 179.1 0.2 . 1 . . . . 97 LYS C . 16614 1 724 . 1 1 68 68 LYS CA C 13 61.8 0.2 . 1 . . . . 97 LYS CA . 16614 1 725 . 1 1 68 68 LYS N N 15 127.6 0.2 . 1 . . . . 97 LYS NZ . 16614 1 726 . 1 1 69 69 SER H H 1 9.13 0.01 . 1 . . . . 98 SER H . 16614 1 727 . 1 1 69 69 SER HA H 1 4.21 0.01 . 1 . . . . 98 SER HA . 16614 1 728 . 1 1 69 69 SER HB2 H 1 3.84 0.01 . 2 . . . . 98 SER HB2 . 16614 1 729 . 1 1 69 69 SER HB3 H 1 3.84 0.01 . 2 . . . . 98 SER HB3 . 16614 1 730 . 1 1 69 69 SER C C 13 177.9 0.2 . 1 . . . . 98 SER C . 16614 1 731 . 1 1 69 69 SER CA C 13 61.9 0.2 . 1 . . . . 98 SER CA . 16614 1 732 . 1 1 69 69 SER CB C 13 62.4 0.2 . 1 . . . . 98 SER CB . 16614 1 733 . 1 1 69 69 SER N N 15 113.9 0.2 . 1 . . . . 98 SER N . 16614 1 734 . 1 1 70 70 ASN H H 1 8.22 0.01 . 1 . . . . 99 ASN H . 16614 1 735 . 1 1 70 70 ASN HA H 1 4.51 0.01 . 1 . . . . 99 ASN HA . 16614 1 736 . 1 1 70 70 ASN HB2 H 1 2.08 0.01 . 2 . . . . 99 ASN HB2 . 16614 1 737 . 1 1 70 70 ASN HB3 H 1 2.08 0.01 . 2 . . . . 99 ASN HB3 . 16614 1 738 . 1 1 70 70 ASN HD21 H 1 7.12 0.01 . 2 . . . . 99 ASN HD21 . 16614 1 739 . 1 1 70 70 ASN HD22 H 1 7.37 0.01 . 2 . . . . 99 ASN HD22 . 16614 1 740 . 1 1 70 70 ASN C C 13 177.7 0.2 . 1 . . . . 99 ASN C . 16614 1 741 . 1 1 70 70 ASN CA C 13 56.3 0.2 . 1 . . . . 99 ASN CA . 16614 1 742 . 1 1 70 70 ASN CB C 13 39.2 0.2 . 1 . . . . 99 ASN CB . 16614 1 743 . 1 1 70 70 ASN N N 15 121.2 0.2 . 1 . . . . 99 ASN N . 16614 1 744 . 1 1 70 70 ASN ND2 N 15 110.1 0.2 . 1 . . . . 99 ASN ND2 . 16614 1 745 . 1 1 71 71 LEU H H 1 8.75 0.01 . 1 . . . . 100 LEU H . 16614 1 746 . 1 1 71 71 LEU HA H 1 3.9 0.01 . 1 . . . . 100 LEU HA . 16614 1 747 . 1 1 71 71 LEU HB2 H 1 2.11 0.01 . 2 . . . . 100 LEU HB2 . 16614 1 748 . 1 1 71 71 LEU HB3 H 1 1.43 0.01 . 2 . . . . 100 LEU HB3 . 16614 1 749 . 1 1 71 71 LEU HD11 H 1 0.76 0.01 . 2 . . . . 100 LEU MD1 . 16614 1 750 . 1 1 71 71 LEU HD12 H 1 0.76 0.01 . 2 . . . . 100 LEU MD1 . 16614 1 751 . 1 1 71 71 LEU HD13 H 1 0.76 0.01 . 2 . . . . 100 LEU MD1 . 16614 1 752 . 1 1 71 71 LEU HD21 H 1 0.76 0.01 . 2 . . . . 100 LEU MD2 . 16614 1 753 . 1 1 71 71 LEU HD22 H 1 0.76 0.01 . 2 . . . . 100 LEU MD2 . 16614 1 754 . 1 1 71 71 LEU HD23 H 1 0.76 0.01 . 2 . . . . 100 LEU MD2 . 16614 1 755 . 1 1 71 71 LEU HG H 1 1.82 0.01 . 1 . . . . 100 LEU HG . 16614 1 756 . 1 1 71 71 LEU C C 13 179.4 0.2 . 1 . . . . 100 LEU C . 16614 1 757 . 1 1 71 71 LEU CA C 13 58.7 0.2 . 1 . . . . 100 LEU CA . 16614 1 758 . 1 1 71 71 LEU CB C 13 42 0.2 . 1 . . . . 100 LEU CB . 16614 1 759 . 1 1 71 71 LEU CD1 C 13 24 0.2 . 2 . . . . 100 LEU CD1 . 16614 1 760 . 1 1 71 71 LEU CD2 C 13 24 0.2 . 2 . . . . 100 LEU CD2 . 16614 1 761 . 1 1 71 71 LEU CG C 13 26.3 0.2 . 1 . . . . 100 LEU CG . 16614 1 762 . 1 1 71 71 LEU N N 15 120.1 0.2 . 1 . . . . 100 LEU N . 16614 1 763 . 1 1 72 72 GLN H H 1 7.69 0.01 . 1 . . . . 101 GLN H . 16614 1 764 . 1 1 72 72 GLN HA H 1 4.05 0.01 . 1 . . . . 101 GLN HA . 16614 1 765 . 1 1 72 72 GLN HB2 H 1 2.29 0.01 . 2 . . . . 101 GLN HB2 . 16614 1 766 . 1 1 72 72 GLN HB3 H 1 2.22 0.01 . 2 . . . . 101 GLN HB3 . 16614 1 767 . 1 1 72 72 GLN HE21 H 1 6.97 0.01 . 2 . . . . 101 GLN HE21 . 16614 1 768 . 1 1 72 72 GLN HE22 H 1 7.25 0.01 . 2 . . . . 101 GLN HE22 . 16614 1 769 . 1 1 72 72 GLN HG2 H 1 2.6 0.01 . 2 . . . . 101 GLN HG2 . 16614 1 770 . 1 1 72 72 GLN HG3 H 1 2.4 0.01 . 2 . . . . 101 GLN HG3 . 16614 1 771 . 1 1 72 72 GLN C C 13 180.3 0.2 . 1 . . . . 101 GLN C . 16614 1 772 . 1 1 72 72 GLN CA C 13 58.9 0.2 . 1 . . . . 101 GLN CA . 16614 1 773 . 1 1 72 72 GLN CB C 13 28.4 0.2 . 1 . . . . 101 GLN CB . 16614 1 774 . 1 1 72 72 GLN CG C 13 34.2 0.2 . 1 . . . . 101 GLN CG . 16614 1 775 . 1 1 72 72 GLN N N 15 116 0.2 . 1 . . . . 101 GLN N . 16614 1 776 . 1 1 72 72 GLN NE2 N 15 113.8 0.2 . 1 . . . . 101 GLN NE2 . 16614 1 777 . 1 1 73 73 LYS H H 1 8.04 0.01 . 1 . . . . 102 LYS H . 16614 1 778 . 1 1 73 73 LYS HA H 1 4.06 0.01 . 1 . . . . 102 LYS HA . 16614 1 779 . 1 1 73 73 LYS C C 13 178.8 0.2 . 1 . . . . 102 LYS C . 16614 1 780 . 1 1 73 73 LYS CA C 13 59.3 0.2 . 1 . . . . 102 LYS CA . 16614 1 781 . 1 1 73 73 LYS CB C 13 33.3 0.2 . 1 . . . . 102 LYS CB . 16614 1 782 . 1 1 73 73 LYS CD C 13 29.3 0.2 . 1 . . . . 102 LYS CD . 16614 1 783 . 1 1 73 73 LYS CE C 13 42.1 0.2 . 1 . . . . 102 LYS CE . 16614 1 784 . 1 1 73 73 LYS CG C 13 25.8 0.2 . 1 . . . . 102 LYS CG . 16614 1 785 . 1 1 73 73 LYS N N 15 120.7 0.2 . 1 . . . . 102 LYS N . 16614 1 786 . 1 1 74 74 LEU H H 1 7.97 0.01 . 1 . . . . 103 LEU H . 16614 1 787 . 1 1 74 74 LEU HA H 1 3.9 0.01 . 1 . . . . 103 LEU HA . 16614 1 788 . 1 1 74 74 LEU HB2 H 1 1.84 0.01 . 2 . . . . 103 LEU HB2 . 16614 1 789 . 1 1 74 74 LEU HB3 H 1 1.73 0.01 . 2 . . . . 103 LEU HB3 . 16614 1 790 . 1 1 74 74 LEU HD11 H 1 0.86 0.01 . 2 . . . . 103 LEU MD1 . 16614 1 791 . 1 1 74 74 LEU HD12 H 1 0.86 0.01 . 2 . . . . 103 LEU MD1 . 16614 1 792 . 1 1 74 74 LEU HD13 H 1 0.86 0.01 . 2 . . . . 103 LEU MD1 . 16614 1 793 . 1 1 74 74 LEU HD21 H 1 0.86 0.01 . 2 . . . . 103 LEU MD2 . 16614 1 794 . 1 1 74 74 LEU HD22 H 1 0.86 0.01 . 2 . . . . 103 LEU MD2 . 16614 1 795 . 1 1 74 74 LEU HD23 H 1 0.86 0.01 . 2 . . . . 103 LEU MD2 . 16614 1 796 . 1 1 74 74 LEU C C 13 178.4 0.2 . 1 . . . . 103 LEU C . 16614 1 797 . 1 1 74 74 LEU CA C 13 57.1 0.2 . 1 . . . . 103 LEU CA . 16614 1 798 . 1 1 74 74 LEU CB C 13 42 0.2 . 1 . . . . 103 LEU CB . 16614 1 799 . 1 1 74 74 LEU CD1 C 13 24.7 0.2 . 2 . . . . 103 LEU CD1 . 16614 1 800 . 1 1 74 74 LEU CD2 C 13 24.7 0.2 . 2 . . . . 103 LEU CD2 . 16614 1 801 . 1 1 74 74 LEU CG C 13 26.3 0.2 . 1 . . . . 103 LEU CG . 16614 1 802 . 1 1 74 74 LEU N N 15 117.4 0.2 . 1 . . . . 103 LEU N . 16614 1 803 . 1 1 75 75 ASN H H 1 7.47 0.01 . 1 . . . . 104 ASN H . 16614 1 804 . 1 1 75 75 ASN HA H 1 4.19 0.01 . 1 . . . . 104 ASN HA . 16614 1 805 . 1 1 75 75 ASN HB2 H 1 3.03 0.01 . 2 . . . . 104 ASN HB2 . 16614 1 806 . 1 1 75 75 ASN HB3 H 1 2.88 0.01 . 2 . . . . 104 ASN HB3 . 16614 1 807 . 1 1 75 75 ASN C C 13 177.4 0.2 . 1 . . . . 104 ASN C . 16614 1 808 . 1 1 75 75 ASN CA C 13 57.5 0.2 . 1 . . . . 104 ASN CA . 16614 1 809 . 1 1 75 75 ASN CB C 13 39.2 0.2 . 1 . . . . 104 ASN CB . 16614 1 810 . 1 1 75 75 ASN N N 15 117.3 0.2 . 1 . . . . 104 ASN N . 16614 1 811 . 1 1 76 76 ALA H H 1 7.49 0.01 . 1 . . . . 105 ALA H . 16614 1 812 . 1 1 76 76 ALA HA H 1 4.23 0.01 . 1 . . . . 105 ALA HA . 16614 1 813 . 1 1 76 76 ALA HB1 H 1 1.46 0.01 . 1 . . . . 105 ALA MB . 16614 1 814 . 1 1 76 76 ALA HB2 H 1 1.46 0.01 . 1 . . . . 105 ALA MB . 16614 1 815 . 1 1 76 76 ALA HB3 H 1 1.46 0.01 . 1 . . . . 105 ALA MB . 16614 1 816 . 1 1 76 76 ALA C C 13 178.6 0.2 . 1 . . . . 105 ALA C . 16614 1 817 . 1 1 76 76 ALA CA C 13 53.8 0.2 . 1 . . . . 105 ALA CA . 16614 1 818 . 1 1 76 76 ALA CB C 13 19.1 0.2 . 1 . . . . 105 ALA CB . 16614 1 819 . 1 1 76 76 ALA N N 15 117.5 0.2 . 1 . . . . 105 ALA N . 16614 1 820 . 1 1 77 77 CYS H H 1 7.89 0.01 . 1 . . . . 106 CYS H . 16614 1 821 . 1 1 77 77 CYS HA H 1 4.43 0.01 . 1 . . . . 106 CYS HA . 16614 1 822 . 1 1 77 77 CYS HB2 H 1 3.51 0.01 . 2 . . . . 106 CYS HB2 . 16614 1 823 . 1 1 77 77 CYS HB3 H 1 3.07 0.01 . 2 . . . . 106 CYS HB3 . 16614 1 824 . 1 1 77 77 CYS C C 13 173.7 0.2 . 1 . . . . 106 CYS C . 16614 1 825 . 1 1 77 77 CYS CA C 13 57.9 0.2 . 1 . . . . 106 CYS CA . 16614 1 826 . 1 1 77 77 CYS CB C 13 45.3 0.2 . 1 . . . . 106 CYS CB . 16614 1 827 . 1 1 77 77 CYS N N 15 114.4 0.2 . 1 . . . . 106 CYS N . 16614 1 828 . 1 1 78 78 LEU H H 1 7.22 0.01 . 1 . . . . 107 LEU H . 16614 1 829 . 1 1 78 78 LEU HA H 1 4.19 0.01 . 1 . . . . 107 LEU HA . 16614 1 830 . 1 1 78 78 LEU HB2 H 1 1.79 0.01 . 2 . . . . 107 LEU HB2 . 16614 1 831 . 1 1 78 78 LEU HB3 H 1 1.79 0.01 . 2 . . . . 107 LEU HB3 . 16614 1 832 . 1 1 78 78 LEU HD11 H 1 0.88 0.01 . 2 . . . . 107 LEU MD1 . 16614 1 833 . 1 1 78 78 LEU HD12 H 1 0.88 0.01 . 2 . . . . 107 LEU MD1 . 16614 1 834 . 1 1 78 78 LEU HD13 H 1 0.88 0.01 . 2 . . . . 107 LEU MD1 . 16614 1 835 . 1 1 78 78 LEU HD21 H 1 0.88 0.01 . 2 . . . . 107 LEU MD2 . 16614 1 836 . 1 1 78 78 LEU HD22 H 1 0.88 0.01 . 2 . . . . 107 LEU MD2 . 16614 1 837 . 1 1 78 78 LEU HD23 H 1 0.88 0.01 . 2 . . . . 107 LEU MD2 . 16614 1 838 . 1 1 78 78 LEU HG H 1 1.42 0.01 . 1 . . . . 107 LEU HG . 16614 1 839 . 1 1 78 78 LEU CA C 13 51.9 0.2 . 1 . . . . 107 LEU CA . 16614 1 840 . 1 1 78 78 LEU CB C 13 42.6 0.2 . 1 . . . . 107 LEU CB . 16614 1 841 . 1 1 78 78 LEU CD1 C 13 24.2 0.2 . 2 . . . . 107 LEU CD1 . 16614 1 842 . 1 1 78 78 LEU CD2 C 13 24.2 0.2 . 2 . . . . 107 LEU CD2 . 16614 1 843 . 1 1 78 78 LEU CG C 13 27.4 0.2 . 1 . . . . 107 LEU CG . 16614 1 844 . 1 1 78 78 LEU N N 15 120 0.2 . 1 . . . . 107 LEU N . 16614 1 845 . 1 1 79 79 PRO HA H 1 4.58 0.01 . 1 . . . . 108 PRO HA . 16614 1 846 . 1 1 79 79 PRO HB2 H 1 2.37 0.01 . 2 . . . . 108 PRO HB2 . 16614 1 847 . 1 1 79 79 PRO HB3 H 1 2.06 0.01 . 2 . . . . 108 PRO HB3 . 16614 1 848 . 1 1 79 79 PRO HD2 H 1 3.61 0.01 . 2 . . . . 108 PRO HD2 . 16614 1 849 . 1 1 79 79 PRO HD3 H 1 3.77 0.01 . 2 . . . . 108 PRO HD3 . 16614 1 850 . 1 1 79 79 PRO HG2 H 1 2.01 0.01 . 2 . . . . 108 PRO HG2 . 16614 1 851 . 1 1 79 79 PRO HG3 H 1 1.87 0.01 . 2 . . . . 108 PRO HG3 . 16614 1 852 . 1 1 79 79 PRO C C 13 177.7 0.2 . 1 . . . . 108 PRO C . 16614 1 853 . 1 1 79 79 PRO CA C 13 62.9 0.2 . 1 . . . . 108 PRO CA . 16614 1 854 . 1 1 79 79 PRO CB C 13 32.7 0.2 . 1 . . . . 108 PRO CB . 16614 1 855 . 1 1 79 79 PRO CD C 13 50 0.2 . 1 . . . . 108 PRO CD . 16614 1 856 . 1 1 79 79 PRO CG C 13 27.5 0.2 . 1 . . . . 108 PRO CG . 16614 1 857 . 1 1 80 80 THR H H 1 8.59 0.01 . 1 . . . . 109 THR H . 16614 1 858 . 1 1 80 80 THR HA H 1 4.44 0.01 . 1 . . . . 109 THR HA . 16614 1 859 . 1 1 80 80 THR HB H 1 4.15 0.01 . 1 . . . . 109 THR HB . 16614 1 860 . 1 1 80 80 THR HG21 H 1 1.2 0.01 . 1 . . . . 109 THR MG . 16614 1 861 . 1 1 80 80 THR HG22 H 1 1.2 0.01 . 1 . . . . 109 THR MG . 16614 1 862 . 1 1 80 80 THR HG23 H 1 1.2 0.01 . 1 . . . . 109 THR MG . 16614 1 863 . 1 1 80 80 THR C C 13 174.7 0.2 . 1 . . . . 109 THR C . 16614 1 864 . 1 1 80 80 THR CA C 13 62.3 0.2 . 1 . . . . 109 THR CA . 16614 1 865 . 1 1 80 80 THR CB C 13 70.4 0.2 . 1 . . . . 109 THR CB . 16614 1 866 . 1 1 80 80 THR CG2 C 13 21.6 0.2 . 1 . . . . 109 THR CG2 . 16614 1 867 . 1 1 80 80 THR N N 15 115.7 0.2 . 1 . . . . 109 THR N . 16614 1 868 . 1 1 81 81 SER H H 1 8.68 0.01 . 1 . . . . 110 SER H . 16614 1 869 . 1 1 81 81 SER HA H 1 4.71 0.01 . 1 . . . . 110 SER HA . 16614 1 870 . 1 1 81 81 SER HB2 H 1 3.88 0.01 . 2 . . . . 110 SER HB2 . 16614 1 871 . 1 1 81 81 SER HB3 H 1 3.88 0.01 . 2 . . . . 110 SER HB3 . 16614 1 872 . 1 1 81 81 SER C C 13 175 0.2 . 1 . . . . 110 SER C . 16614 1 873 . 1 1 81 81 SER CA C 13 57.8 0.2 . 1 . . . . 110 SER CA . 16614 1 874 . 1 1 81 81 SER CB C 13 65.7 0.2 . 1 . . . . 110 SER CB . 16614 1 875 . 1 1 81 81 SER N N 15 118.2 0.2 . 1 . . . . 110 SER N . 16614 1 876 . 1 1 82 82 ALA H H 1 8.89 0.01 . 1 . . . . 111 ALA H . 16614 1 877 . 1 1 82 82 ALA HA H 1 4.22 0.01 . 1 . . . . 111 ALA HA . 16614 1 878 . 1 1 82 82 ALA HB1 H 1 1.39 0.01 . 1 . . . . 111 ALA MB . 16614 1 879 . 1 1 82 82 ALA HB2 H 1 1.39 0.01 . 1 . . . . 111 ALA MB . 16614 1 880 . 1 1 82 82 ALA HB3 H 1 1.39 0.01 . 1 . . . . 111 ALA MB . 16614 1 881 . 1 1 82 82 ALA C C 13 178.3 0.2 . 1 . . . . 111 ALA C . 16614 1 882 . 1 1 82 82 ALA CA C 13 54.2 0.2 . 1 . . . . 111 ALA CA . 16614 1 883 . 1 1 82 82 ALA CB C 13 18.9 0.2 . 1 . . . . 111 ALA CB . 16614 1 884 . 1 1 82 82 ALA N N 15 126.6 0.2 . 1 . . . . 111 ALA N . 16614 1 885 . 1 1 83 83 ASN H H 1 8.29 0.01 . 1 . . . . 112 ASN H . 16614 1 886 . 1 1 83 83 ASN HA H 1 4.7 0.01 . 1 . . . . 112 ASN HA . 16614 1 887 . 1 1 83 83 ASN HB2 H 1 2.85 0.01 . 2 . . . . 112 ASN HB2 . 16614 1 888 . 1 1 83 83 ASN HB3 H 1 2.85 0.01 . 2 . . . . 112 ASN HB3 . 16614 1 889 . 1 1 83 83 ASN HD21 H 1 6.93 0.01 . 2 . . . . 112 ASN HD21 . 16614 1 890 . 1 1 83 83 ASN HD22 H 1 7.62 0.01 . 2 . . . . 112 ASN HD22 . 16614 1 891 . 1 1 83 83 ASN C C 13 175.5 0.2 . 1 . . . . 112 ASN C . 16614 1 892 . 1 1 83 83 ASN CA C 13 53.4 0.2 . 1 . . . . 112 ASN CA . 16614 1 893 . 1 1 83 83 ASN CB C 13 38.8 0.2 . 1 . . . . 112 ASN CB . 16614 1 894 . 1 1 83 83 ASN N N 15 114.7 0.2 . 1 . . . . 112 ASN N . 16614 1 895 . 1 1 84 84 ASP H H 1 7.77 0.01 . 1 . . . . 113 ASP H . 16614 1 896 . 1 1 84 84 ASP HA H 1 4.54 0.01 . 1 . . . . 113 ASP HA . 16614 1 897 . 1 1 84 84 ASP HB2 H 1 2.69 0.01 . 2 . . . . 113 ASP HB2 . 16614 1 898 . 1 1 84 84 ASP HB3 H 1 2.69 0.01 . 2 . . . . 113 ASP HB3 . 16614 1 899 . 1 1 84 84 ASP C C 13 177.1 0.2 . 1 . . . . 113 ASP C . 16614 1 900 . 1 1 84 84 ASP CA C 13 56 0.2 . 1 . . . . 113 ASP CA . 16614 1 901 . 1 1 84 84 ASP CB C 13 41 0.2 . 1 . . . . 113 ASP CB . 16614 1 902 . 1 1 84 84 ASP N N 15 120.3 0.2 . 1 . . . . 113 ASP N . 16614 1 903 . 1 1 85 85 SER H H 1 8.08 0.01 . 1 . . . . 114 SER H . 16614 1 904 . 1 1 85 85 SER HA H 1 4.24 0.01 . 1 . . . . 114 SER HA . 16614 1 905 . 1 1 85 85 SER HB2 H 1 3.48 0.01 . 2 . . . . 114 SER HB2 . 16614 1 906 . 1 1 85 85 SER HB3 H 1 3.48 0.01 . 2 . . . . 114 SER HB3 . 16614 1 907 . 1 1 85 85 SER C C 13 175 0.2 . 1 . . . . 114 SER C . 16614 1 908 . 1 1 85 85 SER CA C 13 58.8 0.2 . 1 . . . . 114 SER CA . 16614 1 909 . 1 1 85 85 SER CB C 13 63.7 0.2 . 1 . . . . 114 SER CB . 16614 1 910 . 1 1 85 85 SER N N 15 114.4 0.2 . 1 . . . . 114 SER N . 16614 1 911 . 1 1 86 86 ALA H H 1 8.33 0.01 . 1 . . . . 115 ALA H . 16614 1 912 . 1 1 86 86 ALA HA H 1 4.3 0.01 . 1 . . . . 115 ALA HA . 16614 1 913 . 1 1 86 86 ALA HB1 H 1 1.33 0.01 . 1 . . . . 115 ALA MB . 16614 1 914 . 1 1 86 86 ALA HB2 H 1 1.33 0.01 . 1 . . . . 115 ALA MB . 16614 1 915 . 1 1 86 86 ALA HB3 H 1 1.33 0.01 . 1 . . . . 115 ALA MB . 16614 1 916 . 1 1 86 86 ALA C C 13 177.2 0.2 . 1 . . . . 115 ALA C . 16614 1 917 . 1 1 86 86 ALA CA C 13 52.4 0.2 . 1 . . . . 115 ALA CA . 16614 1 918 . 1 1 86 86 ALA CB C 13 19.6 0.2 . 1 . . . . 115 ALA CB . 16614 1 919 . 1 1 86 86 ALA N N 15 126.3 0.2 . 1 . . . . 115 ALA N . 16614 1 920 . 1 1 87 87 LEU H H 1 7.83 0.01 . 1 . . . . 116 LEU H . 16614 1 921 . 1 1 87 87 LEU HA H 1 4.58 0.01 . 1 . . . . 116 LEU HA . 16614 1 922 . 1 1 87 87 LEU HB2 H 1 1.522 0.01 . 2 . . . . 116 LEU HB2 . 16614 1 923 . 1 1 87 87 LEU HB3 H 1 1.35 0.01 . 2 . . . . 116 LEU HB3 . 16614 1 924 . 1 1 87 87 LEU HD11 H 1 0.8 0.01 . 2 . . . . 116 LEU MD1 . 16614 1 925 . 1 1 87 87 LEU HD12 H 1 0.8 0.01 . 2 . . . . 116 LEU MD1 . 16614 1 926 . 1 1 87 87 LEU HD13 H 1 0.8 0.01 . 2 . . . . 116 LEU MD1 . 16614 1 927 . 1 1 87 87 LEU HD21 H 1 0.8 0.01 . 2 . . . . 116 LEU MD2 . 16614 1 928 . 1 1 87 87 LEU HD22 H 1 0.8 0.01 . 2 . . . . 116 LEU MD2 . 16614 1 929 . 1 1 87 87 LEU HD23 H 1 0.8 0.01 . 2 . . . . 116 LEU MD2 . 16614 1 930 . 1 1 87 87 LEU HG H 1 0.74 0.01 . 1 . . . . 116 LEU HG . 16614 1 931 . 1 1 87 87 LEU CA C 13 52.7 0.2 . 1 . . . . 116 LEU CA . 16614 1 932 . 1 1 87 87 LEU CB C 13 42.3 0.2 . 1 . . . . 116 LEU CB . 16614 1 933 . 1 1 87 87 LEU CD1 C 13 22.8 0.2 . 2 . . . . 116 LEU CD1 . 16614 1 934 . 1 1 87 87 LEU CD2 C 13 23.4 0.2 . 2 . . . . 116 LEU CD2 . 16614 1 935 . 1 1 87 87 LEU CG C 13 25.6 0.2 . 1 . . . . 116 LEU CG . 16614 1 936 . 1 1 87 87 LEU N N 15 121.4 0.2 . 1 . . . . 116 LEU N . 16614 1 937 . 1 1 88 88 PRO HA H 1 4.02 0.01 . 1 . . . . 117 PRO HA . 16614 1 938 . 1 1 88 88 PRO HB2 H 1 2.05 0.01 . 2 . . . . 117 PRO HB2 . 16614 1 939 . 1 1 88 88 PRO HB3 H 1 2.05 0.01 . 2 . . . . 117 PRO HB3 . 16614 1 940 . 1 1 88 88 PRO HD2 H 1 3.69 0.01 . 2 . . . . 117 PRO HD2 . 16614 1 941 . 1 1 88 88 PRO HD3 H 1 3.69 0.01 . 2 . . . . 117 PRO HD3 . 16614 1 942 . 1 1 88 88 PRO HG2 H 1 0.91 0.01 . 2 . . . . 117 PRO HG2 . 16614 1 943 . 1 1 88 88 PRO HG3 H 1 0.91 0.01 . 2 . . . . 117 PRO HG3 . 16614 1 944 . 1 1 88 88 PRO C C 13 177.4 0.2 . 1 . . . . 117 PRO C . 16614 1 945 . 1 1 88 88 PRO CA C 13 63 0.2 . 1 . . . . 117 PRO CA . 16614 1 946 . 1 1 88 88 PRO CB C 13 32.4 0.2 . 1 . . . . 117 PRO CB . 16614 1 947 . 1 1 88 88 PRO CD C 13 51.5 0.2 . 1 . . . . 117 PRO CD . 16614 1 948 . 1 1 88 88 PRO CG C 13 26.9 0.2 . 1 . . . . 117 PRO CG . 16614 1 949 . 1 1 89 89 GLY H H 1 8.53 0.01 . 1 . . . . 118 GLY H . 16614 1 950 . 1 1 89 89 GLY HA2 H 1 4.09 0.01 . 2 . . . . 118 GLY HA2 . 16614 1 951 . 1 1 89 89 GLY HA3 H 1 3.41 0.01 . 2 . . . . 118 GLY HA3 . 16614 1 952 . 1 1 89 89 GLY C C 13 173.5 0.2 . 1 . . . . 118 GLY C . 16614 1 953 . 1 1 89 89 GLY CA C 13 44.9 0.2 . 1 . . . . 118 GLY CA . 16614 1 954 . 1 1 89 89 GLY N N 15 108.3 0.2 . 1 . . . . 118 GLY N . 16614 1 955 . 1 1 90 90 VAL H H 1 7.2 0.01 . 1 . . . . 119 VAL H . 16614 1 956 . 1 1 90 90 VAL HA H 1 4.08 0.01 . 1 . . . . 119 VAL HA . 16614 1 957 . 1 1 90 90 VAL HB H 1 1.68 0.01 . 1 . . . . 119 VAL HB . 16614 1 958 . 1 1 90 90 VAL HG11 H 1 0.33 0.01 . 2 . . . . 119 VAL MG1 . 16614 1 959 . 1 1 90 90 VAL HG12 H 1 0.33 0.01 . 2 . . . . 119 VAL MG1 . 16614 1 960 . 1 1 90 90 VAL HG13 H 1 0.33 0.01 . 2 . . . . 119 VAL MG1 . 16614 1 961 . 1 1 90 90 VAL HG21 H 1 0.63 0.01 . 2 . . . . 119 VAL MG2 . 16614 1 962 . 1 1 90 90 VAL HG22 H 1 0.63 0.01 . 2 . . . . 119 VAL MG2 . 16614 1 963 . 1 1 90 90 VAL HG23 H 1 0.63 0.01 . 2 . . . . 119 VAL MG2 . 16614 1 964 . 1 1 90 90 VAL C C 13 172.9 0.2 . 1 . . . . 119 VAL C . 16614 1 965 . 1 1 90 90 VAL CA C 13 61 0.2 . 1 . . . . 119 VAL CA . 16614 1 966 . 1 1 90 90 VAL CB C 13 33.6 0.2 . 1 . . . . 119 VAL CB . 16614 1 967 . 1 1 90 90 VAL CG1 C 13 19.5 0.2 . 2 . . . . 119 VAL CG1 . 16614 1 968 . 1 1 90 90 VAL CG2 C 13 21.5 0.2 . 2 . . . . 119 VAL CG2 . 16614 1 969 . 1 1 90 90 VAL N N 15 118.1 0.2 . 1 . . . . 119 VAL N . 16614 1 970 . 1 1 91 91 PHE H H 1 8.35 0.01 . 1 . . . . 120 PHE H . 16614 1 971 . 1 1 91 91 PHE HA H 1 4.46 0.01 . 1 . . . . 120 PHE HA . 16614 1 972 . 1 1 91 91 PHE HB2 H 1 2.96 0.01 . 2 . . . . 120 PHE HB2 . 16614 1 973 . 1 1 91 91 PHE HB3 H 1 2.84 0.01 . 2 . . . . 120 PHE HB3 . 16614 1 974 . 1 1 91 91 PHE HD1 H 1 6.82 0.01 . 3 . . . . 120 PHE HD1 . 16614 1 975 . 1 1 91 91 PHE HD2 H 1 6.82 0.01 . 3 . . . . 120 PHE HD2 . 16614 1 976 . 1 1 91 91 PHE HE1 H 1 6.48 0.01 . 3 . . . . 120 PHE HE1 . 16614 1 977 . 1 1 91 91 PHE HE2 H 1 6.48 0.01 . 3 . . . . 120 PHE HE2 . 16614 1 978 . 1 1 91 91 PHE C C 13 174.2 0.2 . 1 . . . . 120 PHE C . 16614 1 979 . 1 1 91 91 PHE CA C 13 57.1 0.2 . 1 . . . . 120 PHE CA . 16614 1 980 . 1 1 91 91 PHE CB C 13 40.8 0.2 . 1 . . . . 120 PHE CB . 16614 1 981 . 1 1 91 91 PHE N N 15 125.9 0.2 . 1 . . . . 120 PHE N . 16614 1 982 . 1 1 92 92 ILE H H 1 8.17 0.01 . 1 . . . . 121 ILE H . 16614 1 983 . 1 1 92 92 ILE HA H 1 4.36 0.01 . 1 . . . . 121 ILE HA . 16614 1 984 . 1 1 92 92 ILE HB H 1 1.73 0.01 . 1 . . . . 121 ILE HB . 16614 1 985 . 1 1 92 92 ILE HD11 H 1 0.59 0.01 . 1 . . . . 121 ILE MD . 16614 1 986 . 1 1 92 92 ILE HD12 H 1 0.59 0.01 . 1 . . . . 121 ILE MD . 16614 1 987 . 1 1 92 92 ILE HD13 H 1 0.59 0.01 . 1 . . . . 121 ILE MD . 16614 1 988 . 1 1 92 92 ILE HG12 H 1 1.34 0.01 . 2 . . . . 121 ILE HG12 . 16614 1 989 . 1 1 92 92 ILE HG13 H 1 1.34 0.01 . 2 . . . . 121 ILE HG13 . 16614 1 990 . 1 1 92 92 ILE HG21 H 1 0.97 0.01 . 1 . . . . 121 ILE MG . 16614 1 991 . 1 1 92 92 ILE HG22 H 1 0.97 0.01 . 1 . . . . 121 ILE MG . 16614 1 992 . 1 1 92 92 ILE HG23 H 1 0.97 0.01 . 1 . . . . 121 ILE MG . 16614 1 993 . 1 1 92 92 ILE C C 13 176.4 0.2 . 1 . . . . 121 ILE C . 16614 1 994 . 1 1 92 92 ILE CA C 13 59.3 0.2 . 1 . . . . 121 ILE CA . 16614 1 995 . 1 1 92 92 ILE CB C 13 39.3 0.2 . 1 . . . . 121 ILE CB . 16614 1 996 . 1 1 92 92 ILE CD1 C 13 13.8 0.2 . 1 . . . . 121 ILE CD1 . 16614 1 997 . 1 1 92 92 ILE CG1 C 13 27.8 0.2 . 1 . . . . 121 ILE CG1 . 16614 1 998 . 1 1 92 92 ILE CG2 C 13 19.4 0.2 . 1 . . . . 121 ILE CG2 . 16614 1 999 . 1 1 92 92 ILE N N 15 125.1 0.2 . 1 . . . . 121 ILE N . 16614 1 1000 . 1 1 93 93 ARG H H 1 10.22 0.01 . 1 . . . . 122 ARG H . 16614 1 1001 . 1 1 93 93 ARG HA H 1 4.02 0.01 . 1 . . . . 122 ARG HA . 16614 1 1002 . 1 1 93 93 ARG HB2 H 1 1.74 0.01 . 2 . . . . 122 ARG HB2 . 16614 1 1003 . 1 1 93 93 ARG HB3 H 1 1.74 0.01 . 2 . . . . 122 ARG HB3 . 16614 1 1004 . 1 1 93 93 ARG HD2 H 1 3.11 0.01 . 2 . . . . 122 ARG HD2 . 16614 1 1005 . 1 1 93 93 ARG HD3 H 1 3.11 0.01 . 2 . . . . 122 ARG HD3 . 16614 1 1006 . 1 1 93 93 ARG HE H 1 7.31 0.01 . 1 . . . . 122 ARG HE . 16614 1 1007 . 1 1 93 93 ARG HG2 H 1 1.7 0.01 . 2 . . . . 122 ARG HG2 . 16614 1 1008 . 1 1 93 93 ARG HG3 H 1 1.7 0.01 . 2 . . . . 122 ARG HG3 . 16614 1 1009 . 1 1 93 93 ARG C C 13 176.1 0.2 . 1 . . . . 122 ARG C . 16614 1 1010 . 1 1 93 93 ARG CA C 13 59.2 0.2 . 1 . . . . 122 ARG CA . 16614 1 1011 . 1 1 93 93 ARG CB C 13 32.5 0.2 . 1 . . . . 122 ARG CB . 16614 1 1012 . 1 1 93 93 ARG CD C 13 43.4 0.2 . 1 . . . . 122 ARG CD . 16614 1 1013 . 1 1 93 93 ARG CG C 13 27.8 0.2 . 1 . . . . 122 ARG CG . 16614 1 1014 . 1 1 93 93 ARG N N 15 128.2 0.2 . 1 . . . . 122 ARG N . 16614 1 1015 . 1 1 93 93 ARG NE N 15 84 0.2 . 1 . . . . 122 ARG NE . 16614 1 1016 . 1 1 94 94 ASP H H 1 7.44 0.01 . 1 . . . . 123 ASP H . 16614 1 1017 . 1 1 94 94 ASP HA H 1 4.45 0.01 . 1 . . . . 123 ASP HA . 16614 1 1018 . 1 1 94 94 ASP HB2 H 1 3.19 0.01 . 2 . . . . 123 ASP HB2 . 16614 1 1019 . 1 1 94 94 ASP HB3 H 1 3.1 0.01 . 2 . . . . 123 ASP HB3 . 16614 1 1020 . 1 1 94 94 ASP C C 13 175.6 0.2 . 1 . . . . 123 ASP C . 16614 1 1021 . 1 1 94 94 ASP CA C 13 53.4 0.2 . 1 . . . . 123 ASP CA . 16614 1 1022 . 1 1 94 94 ASP CB C 13 41 0.2 . 1 . . . . 123 ASP CB . 16614 1 1023 . 1 1 94 94 ASP N N 15 113.4 0.2 . 1 . . . . 123 ASP N . 16614 1 1024 . 1 1 95 95 LEU H H 1 8.86 0.01 . 1 . . . . 124 LEU H . 16614 1 1025 . 1 1 95 95 LEU HA H 1 4.04 0.01 . 1 . . . . 124 LEU HA . 16614 1 1026 . 1 1 95 95 LEU HB2 H 1 1.94 0.01 . 2 . . . . 124 LEU HB2 . 16614 1 1027 . 1 1 95 95 LEU HB3 H 1 1.76 0.01 . 2 . . . . 124 LEU HB3 . 16614 1 1028 . 1 1 95 95 LEU HD11 H 1 1.06 0.01 . 2 . . . . 124 LEU MD1 . 16614 1 1029 . 1 1 95 95 LEU HD12 H 1 1.06 0.01 . 2 . . . . 124 LEU MD1 . 16614 1 1030 . 1 1 95 95 LEU HD13 H 1 1.06 0.01 . 2 . . . . 124 LEU MD1 . 16614 1 1031 . 1 1 95 95 LEU HD21 H 1 1.11 0.01 . 2 . . . . 124 LEU MD2 . 16614 1 1032 . 1 1 95 95 LEU HD22 H 1 1.11 0.01 . 2 . . . . 124 LEU MD2 . 16614 1 1033 . 1 1 95 95 LEU HD23 H 1 1.11 0.01 . 2 . . . . 124 LEU MD2 . 16614 1 1034 . 1 1 95 95 LEU C C 13 177.8 0.2 . 1 . . . . 124 LEU C . 16614 1 1035 . 1 1 95 95 LEU CA C 13 58.9 0.2 . 1 . . . . 124 LEU CA . 16614 1 1036 . 1 1 95 95 LEU CB C 13 41.5 0.2 . 1 . . . . 124 LEU CB . 16614 1 1037 . 1 1 95 95 LEU CD1 C 13 22.9 0.2 . 2 . . . . 124 LEU CD1 . 16614 1 1038 . 1 1 95 95 LEU CD2 C 13 22.8 0.2 . 2 . . . . 124 LEU CD2 . 16614 1 1039 . 1 1 95 95 LEU CG C 13 26.4 0.2 . 1 . . . . 124 LEU CG . 16614 1 1040 . 1 1 95 95 LEU N N 15 120.5 0.2 . 1 . . . . 124 LEU N . 16614 1 1041 . 1 1 96 96 ASP H H 1 8.4 0.01 . 1 . . . . 125 ASP H . 16614 1 1042 . 1 1 96 96 ASP HA H 1 4.42 0.01 . 1 . . . . 125 ASP HA . 16614 1 1043 . 1 1 96 96 ASP HB2 H 1 2.75 0.01 . 2 . . . . 125 ASP HB2 . 16614 1 1044 . 1 1 96 96 ASP HB3 H 1 2.63 0.01 . 2 . . . . 125 ASP HB3 . 16614 1 1045 . 1 1 96 96 ASP C C 13 178.3 0.2 . 1 . . . . 125 ASP C . 16614 1 1046 . 1 1 96 96 ASP CA C 13 58.4 0.2 . 1 . . . . 125 ASP CA . 16614 1 1047 . 1 1 96 96 ASP CB C 13 41.4 0.2 . 1 . . . . 125 ASP CB . 16614 1 1048 . 1 1 96 96 ASP N N 15 119.8 0.2 . 1 . . . . 125 ASP N . 16614 1 1049 . 1 1 97 97 ASP H H 1 8.59 0.01 . 1 . . . . 126 ASP H . 16614 1 1050 . 1 1 97 97 ASP HA H 1 4.52 0.01 . 1 . . . . 126 ASP HA . 16614 1 1051 . 1 1 97 97 ASP HB2 H 1 3.08 0.01 . 2 . . . . 126 ASP HB2 . 16614 1 1052 . 1 1 97 97 ASP HB3 H 1 2.75 0.01 . 2 . . . . 126 ASP HB3 . 16614 1 1053 . 1 1 97 97 ASP C C 13 178.4 0.2 . 1 . . . . 126 ASP C . 16614 1 1054 . 1 1 97 97 ASP CA C 13 57.5 0.2 . 1 . . . . 126 ASP CA . 16614 1 1055 . 1 1 97 97 ASP CB C 13 43.5 0.2 . 1 . . . . 126 ASP CB . 16614 1 1056 . 1 1 97 97 ASP N N 15 119.6 0.2 . 1 . . . . 126 ASP N . 16614 1 1057 . 1 1 98 98 PHE H H 1 8.78 0.01 . 1 . . . . 127 PHE H . 16614 1 1058 . 1 1 98 98 PHE HA H 1 4.03 0.01 . 1 . . . . 127 PHE HA . 16614 1 1059 . 1 1 98 98 PHE HB2 H 1 3.02 0.01 . 2 . . . . 127 PHE HB2 . 16614 1 1060 . 1 1 98 98 PHE HB3 H 1 2.77 0.01 . 2 . . . . 127 PHE HB3 . 16614 1 1061 . 1 1 98 98 PHE HD1 H 1 7.22 0.01 . 3 . . . . 127 PHE HD1 . 16614 1 1062 . 1 1 98 98 PHE HD2 H 1 7.22 0.01 . 3 . . . . 127 PHE HD2 . 16614 1 1063 . 1 1 98 98 PHE HE1 H 1 7.66 0.01 . 3 . . . . 127 PHE HE1 . 16614 1 1064 . 1 1 98 98 PHE HE2 H 1 7.66 0.01 . 3 . . . . 127 PHE HE2 . 16614 1 1065 . 1 1 98 98 PHE C C 13 176.1 0.2 . 1 . . . . 127 PHE C . 16614 1 1066 . 1 1 98 98 PHE CA C 13 62.7 0.2 . 1 . . . . 127 PHE CA . 16614 1 1067 . 1 1 98 98 PHE CB C 13 38.3 0.2 . 1 . . . . 127 PHE CB . 16614 1 1068 . 1 1 98 98 PHE N N 15 118.2 0.2 . 1 . . . . 127 PHE N . 16614 1 1069 . 1 1 99 99 ARG H H 1 8.78 0.01 . 1 . . . . 128 ARG H . 16614 1 1070 . 1 1 99 99 ARG HA H 1 3.68 0.01 . 1 . . . . 128 ARG HA . 16614 1 1071 . 1 1 99 99 ARG HB2 H 1 2.07 0.01 . 2 . . . . 128 ARG HB2 . 16614 1 1072 . 1 1 99 99 ARG HB3 H 1 2.07 0.01 . 2 . . . . 128 ARG HB3 . 16614 1 1073 . 1 1 99 99 ARG HD2 H 1 3.07 0.01 . 2 . . . . 128 ARG HD2 . 16614 1 1074 . 1 1 99 99 ARG HD3 H 1 3.07 0.01 . 2 . . . . 128 ARG HD3 . 16614 1 1075 . 1 1 99 99 ARG HG2 H 1 1.9 0.01 . 2 . . . . 128 ARG HG2 . 16614 1 1076 . 1 1 99 99 ARG HG3 H 1 1.9 0.01 . 2 . . . . 128 ARG HG3 . 16614 1 1077 . 1 1 99 99 ARG C C 13 178.6 0.2 . 1 . . . . 128 ARG C . 16614 1 1078 . 1 1 99 99 ARG CA C 13 60.5 0.2 . 1 . . . . 128 ARG CA . 16614 1 1079 . 1 1 99 99 ARG CB C 13 30.4 0.2 . 1 . . . . 128 ARG CB . 16614 1 1080 . 1 1 99 99 ARG CD C 13 43.6 0.2 . 1 . . . . 128 ARG CD . 16614 1 1081 . 1 1 99 99 ARG CG C 13 27.8 0.2 . 1 . . . . 128 ARG CG . 16614 1 1082 . 1 1 99 99 ARG N N 15 117.2 0.2 . 1 . . . . 128 ARG N . 16614 1 1083 . 1 1 100 100 LYS H H 1 8.1 0.01 . 1 . . . . 129 LYS H . 16614 1 1084 . 1 1 100 100 LYS HA H 1 4.05 0.01 . 1 . . . . 129 LYS HA . 16614 1 1085 . 1 1 100 100 LYS HB2 H 1 2 0.01 . 2 . . . . 129 LYS HB2 . 16614 1 1086 . 1 1 100 100 LYS HB3 H 1 2 0.01 . 2 . . . . 129 LYS HB3 . 16614 1 1087 . 1 1 100 100 LYS HD2 H 1 1.69 0.01 . 2 . . . . 129 LYS HD2 . 16614 1 1088 . 1 1 100 100 LYS HD3 H 1 1.69 0.01 . 2 . . . . 129 LYS HD3 . 16614 1 1089 . 1 1 100 100 LYS C C 13 181 0.2 . 1 . . . . 129 LYS C . 16614 1 1090 . 1 1 100 100 LYS CA C 13 60.3 0.2 . 1 . . . . 129 LYS CA . 16614 1 1091 . 1 1 100 100 LYS CB C 13 33.4 0.2 . 1 . . . . 129 LYS CB . 16614 1 1092 . 1 1 100 100 LYS CD C 13 29.7 0.2 . 1 . . . . 129 LYS CD . 16614 1 1093 . 1 1 100 100 LYS CG C 13 26.21 0.2 . 1 . . . . 129 LYS CG . 16614 1 1094 . 1 1 100 100 LYS N N 15 119.8 0.2 . 1 . . . . 129 LYS N . 16614 1 1095 . 1 1 101 101 LYS H H 1 8.86 0.01 . 1 . . . . 130 LYS H . 16614 1 1096 . 1 1 101 101 LYS HA H 1 3.85 0.01 . 1 . . . . 130 LYS HA . 16614 1 1097 . 1 1 101 101 LYS C C 13 178.1 0.2 . 1 . . . . 130 LYS C . 16614 1 1098 . 1 1 101 101 LYS CA C 13 61.2 0.2 . 1 . . . . 130 LYS CA . 16614 1 1099 . 1 1 101 101 LYS CB C 13 32.4 0.2 . 1 . . . . 130 LYS CB . 16614 1 1100 . 1 1 101 101 LYS N N 15 120.4 0.2 . 1 . . . . 130 LYS N . 16614 1 1101 . 1 1 102 102 LEU H H 1 8.78 0.01 . 1 . . . . 131 LEU H . 16614 1 1102 . 1 1 102 102 LEU HA H 1 3.05 0.01 . 1 . . . . 131 LEU HA . 16614 1 1103 . 1 1 102 102 LEU HB2 H 1 1.11 0.01 . 2 . . . . 131 LEU HB2 . 16614 1 1104 . 1 1 102 102 LEU HB3 H 1 0.29 0.01 . 2 . . . . 131 LEU HB3 . 16614 1 1105 . 1 1 102 102 LEU HD11 H 1 -0.18 0.01 . 2 . . . . 131 LEU MD1 . 16614 1 1106 . 1 1 102 102 LEU HD12 H 1 -0.18 0.01 . 2 . . . . 131 LEU MD1 . 16614 1 1107 . 1 1 102 102 LEU HD13 H 1 -0.18 0.01 . 2 . . . . 131 LEU MD1 . 16614 1 1108 . 1 1 102 102 LEU HD21 H 1 0.36 0.01 . 2 . . . . 131 LEU MD2 . 16614 1 1109 . 1 1 102 102 LEU HD22 H 1 0.36 0.01 . 2 . . . . 131 LEU MD2 . 16614 1 1110 . 1 1 102 102 LEU HD23 H 1 0.36 0.01 . 2 . . . . 131 LEU MD2 . 16614 1 1111 . 1 1 102 102 LEU HG H 1 0.79 0.01 . 1 . . . . 131 LEU HG . 16614 1 1112 . 1 1 102 102 LEU C C 13 178.9 0.2 . 1 . . . . 131 LEU C . 16614 1 1113 . 1 1 102 102 LEU CA C 13 57.6 0.2 . 1 . . . . 131 LEU CA . 16614 1 1114 . 1 1 102 102 LEU CB C 13 40.2 0.2 . 1 . . . . 131 LEU CB . 16614 1 1115 . 1 1 102 102 LEU CD1 C 13 22.4 0.2 . 2 . . . . 131 LEU CD1 . 16614 1 1116 . 1 1 102 102 LEU CD2 C 13 28.3 0.2 . 2 . . . . 131 LEU CD2 . 16614 1 1117 . 1 1 102 102 LEU CG C 13 25.6 0.2 . 1 . . . . 131 LEU CG . 16614 1 1118 . 1 1 102 102 LEU N N 15 120.6 0.2 . 1 . . . . 131 LEU N . 16614 1 1119 . 1 1 103 103 ARG H H 1 7.92 0.01 . 1 . . . . 132 ARG H . 16614 1 1120 . 1 1 103 103 ARG HA H 1 4.06 0.01 . 1 . . . . 132 ARG HA . 16614 1 1121 . 1 1 103 103 ARG HB2 H 1 1.79 0.01 . 2 . . . . 132 ARG HB2 . 16614 1 1122 . 1 1 103 103 ARG HB3 H 1 1.79 0.01 . 2 . . . . 132 ARG HB3 . 16614 1 1123 . 1 1 103 103 ARG HD2 H 1 3.05 0.01 . 2 . . . . 132 ARG HD2 . 16614 1 1124 . 1 1 103 103 ARG HD3 H 1 3.05 0.01 . 2 . . . . 132 ARG HD3 . 16614 1 1125 . 1 1 103 103 ARG HE H 1 7.5 0.01 . 1 . . . . 132 ARG HE . 16614 1 1126 . 1 1 103 103 ARG HG2 H 1 1.79 0.01 . 2 . . . . 132 ARG HG2 . 16614 1 1127 . 1 1 103 103 ARG HG3 H 1 1.79 0.01 . 2 . . . . 132 ARG HG3 . 16614 1 1128 . 1 1 103 103 ARG C C 13 177.1 0.2 . 1 . . . . 132 ARG C . 16614 1 1129 . 1 1 103 103 ARG CA C 13 61.3 0.2 . 1 . . . . 132 ARG CA . 16614 1 1130 . 1 1 103 103 ARG CB C 13 29.3 0.2 . 1 . . . . 132 ARG CB . 16614 1 1131 . 1 1 103 103 ARG CD C 13 43.6 0.2 . 1 . . . . 132 ARG CD . 16614 1 1132 . 1 1 103 103 ARG N N 15 118.6 0.2 . 1 . . . . 132 ARG N . 16614 1 1133 . 1 1 103 103 ARG NE N 15 84.4 0.2 . 1 . . . . 132 ARG NE . 16614 1 1134 . 1 1 104 104 PHE H H 1 7.62 0.01 . 1 . . . . 133 PHE H . 16614 1 1135 . 1 1 104 104 PHE HA H 1 4.15 0.01 . 1 . . . . 133 PHE HA . 16614 1 1136 . 1 1 104 104 PHE HB2 H 1 3.22 0.01 . 2 . . . . 133 PHE HB2 . 16614 1 1137 . 1 1 104 104 PHE HB3 H 1 3.22 0.01 . 2 . . . . 133 PHE HB3 . 16614 1 1138 . 1 1 104 104 PHE HD1 H 1 7.21 0.01 . 3 . . . . 133 PHE HD1 . 16614 1 1139 . 1 1 104 104 PHE HD2 H 1 7.21 0.01 . 3 . . . . 133 PHE HD2 . 16614 1 1140 . 1 1 104 104 PHE C C 13 175.5 0.2 . 1 . . . . 133 PHE C . 16614 1 1141 . 1 1 104 104 PHE CA C 13 62.3 0.2 . 1 . . . . 133 PHE CA . 16614 1 1142 . 1 1 104 104 PHE CB C 13 39.3 0.2 . 1 . . . . 133 PHE CB . 16614 1 1143 . 1 1 104 104 PHE N N 15 117.7 0.2 . 1 . . . . 133 PHE N . 16614 1 1144 . 1 1 105 105 TYR H H 1 8.76 0.01 . 1 . . . . 134 TYR H . 16614 1 1145 . 1 1 105 105 TYR HA H 1 3.31 0.01 . 1 . . . . 134 TYR HA . 16614 1 1146 . 1 1 105 105 TYR HB2 H 1 1.77 0.01 . 2 . . . . 134 TYR HB2 . 16614 1 1147 . 1 1 105 105 TYR HB3 H 1 1.77 0.01 . 2 . . . . 134 TYR HB3 . 16614 1 1148 . 1 1 105 105 TYR HD1 H 1 7.22 0.01 . 3 . . . . 134 TYR HD1 . 16614 1 1149 . 1 1 105 105 TYR HD2 H 1 7.22 0.01 . 3 . . . . 134 TYR HD2 . 16614 1 1150 . 1 1 105 105 TYR HE1 H 1 6.73 0.01 . 3 . . . . 134 TYR HE1 . 16614 1 1151 . 1 1 105 105 TYR HE2 H 1 6.73 0.01 . 3 . . . . 134 TYR HE2 . 16614 1 1152 . 1 1 105 105 TYR C C 13 178.1 0.2 . 1 . . . . 134 TYR C . 16614 1 1153 . 1 1 105 105 TYR CA C 13 61.2 0.2 . 1 . . . . 134 TYR CA . 16614 1 1154 . 1 1 105 105 TYR CB C 13 39.7 0.2 . 1 . . . . 134 TYR CB . 16614 1 1155 . 1 1 105 105 TYR N N 15 119.9 0.2 . 1 . . . . 134 TYR N . 16614 1 1156 . 1 1 106 106 MET H H 1 8.58 0.01 . 1 . . . . 135 MET H . 16614 1 1157 . 1 1 106 106 MET HA H 1 4.11 0.01 . 1 . . . . 135 MET HA . 16614 1 1158 . 1 1 106 106 MET HB2 H 1 1.7 0.01 . 2 . . . . 135 MET HB2 . 16614 1 1159 . 1 1 106 106 MET HB3 H 1 1.7 0.01 . 2 . . . . 135 MET HB3 . 16614 1 1160 . 1 1 106 106 MET HG2 H 1 2.72 0.01 . 2 . . . . 135 MET HG2 . 16614 1 1161 . 1 1 106 106 MET HG3 H 1 2.45 0.01 . 2 . . . . 135 MET HG3 . 16614 1 1162 . 1 1 106 106 MET C C 13 179.8 0.2 . 1 . . . . 135 MET C . 16614 1 1163 . 1 1 106 106 MET CA C 13 56.5 0.2 . 1 . . . . 135 MET CA . 16614 1 1164 . 1 1 106 106 MET CB C 13 31.6 0.2 . 1 . . . . 135 MET CB . 16614 1 1165 . 1 1 106 106 MET N N 15 117.4 0.2 . 1 . . . . 135 MET N . 16614 1 1166 . 1 1 107 107 VAL H H 1 8.51 0.01 . 1 . . . . 136 VAL H . 16614 1 1167 . 1 1 107 107 VAL HA H 1 3.52 0.01 . 1 . . . . 136 VAL HA . 16614 1 1168 . 1 1 107 107 VAL HB H 1 1.94 0.01 . 1 . . . . 136 VAL HB . 16614 1 1169 . 1 1 107 107 VAL HG11 H 1 0.5 0.01 . 2 . . . . 136 VAL MG1 . 16614 1 1170 . 1 1 107 107 VAL HG12 H 1 0.5 0.01 . 2 . . . . 136 VAL MG1 . 16614 1 1171 . 1 1 107 107 VAL HG13 H 1 0.5 0.01 . 2 . . . . 136 VAL MG1 . 16614 1 1172 . 1 1 107 107 VAL HG21 H 1 0.86 0.01 . 2 . . . . 136 VAL MG2 . 16614 1 1173 . 1 1 107 107 VAL HG22 H 1 0.86 0.01 . 2 . . . . 136 VAL MG2 . 16614 1 1174 . 1 1 107 107 VAL HG23 H 1 0.86 0.01 . 2 . . . . 136 VAL MG2 . 16614 1 1175 . 1 1 107 107 VAL C C 13 177.6 0.2 . 1 . . . . 136 VAL C . 16614 1 1176 . 1 1 107 107 VAL CA C 13 65.4 0.2 . 1 . . . . 136 VAL CA . 16614 1 1177 . 1 1 107 107 VAL CB C 13 31 0.2 . 1 . . . . 136 VAL CB . 16614 1 1178 . 1 1 107 107 VAL CG1 C 13 20.8 0.2 . 2 . . . . 136 VAL CG1 . 16614 1 1179 . 1 1 107 107 VAL CG2 C 13 21.7 0.2 . 2 . . . . 136 VAL CG2 . 16614 1 1180 . 1 1 107 107 VAL N N 15 117.4 0.2 . 1 . . . . 136 VAL N . 16614 1 1181 . 1 1 108 108 HIS H H 1 7 0.01 . 1 . . . . 137 HIS H . 16614 1 1182 . 1 1 108 108 HIS HA H 1 4.37 0.01 . 1 . . . . 137 HIS HA . 16614 1 1183 . 1 1 108 108 HIS HB2 H 1 3.38 0.01 . 2 . . . . 137 HIS HB2 . 16614 1 1184 . 1 1 108 108 HIS HB3 H 1 2.76 0.01 . 2 . . . . 137 HIS HB3 . 16614 1 1185 . 1 1 108 108 HIS HD2 H 1 6.38 0.01 . 1 . . . . 137 HIS HD2 . 16614 1 1186 . 1 1 108 108 HIS C C 13 174.3 0.2 . 1 . . . . 137 HIS C . 16614 1 1187 . 1 1 108 108 HIS CA C 13 56.8 0.2 . 1 . . . . 137 HIS CA . 16614 1 1188 . 1 1 108 108 HIS CB C 13 28.1 0.2 . 1 . . . . 137 HIS CB . 16614 1 1189 . 1 1 108 108 HIS N N 15 113.9 0.2 . 1 . . . . 137 HIS N . 16614 1 1190 . 1 1 109 109 LEU H H 1 7.27 0.01 . 1 . . . . 138 LEU H . 16614 1 1191 . 1 1 109 109 LEU HA H 1 4.31 0.01 . 1 . . . . 138 LEU HA . 16614 1 1192 . 1 1 109 109 LEU HB2 H 1 1.74 0.01 . 2 . . . . 138 LEU HB2 . 16614 1 1193 . 1 1 109 109 LEU HB3 H 1 1.51 0.01 . 2 . . . . 138 LEU HB3 . 16614 1 1194 . 1 1 109 109 LEU HD11 H 1 0.59 0.01 . 2 . . . . 138 LEU MD1 . 16614 1 1195 . 1 1 109 109 LEU HD12 H 1 0.59 0.01 . 2 . . . . 138 LEU MD1 . 16614 1 1196 . 1 1 109 109 LEU HD13 H 1 0.59 0.01 . 2 . . . . 138 LEU MD1 . 16614 1 1197 . 1 1 109 109 LEU HD21 H 1 0.87 0.01 . 2 . . . . 138 LEU MD2 . 16614 1 1198 . 1 1 109 109 LEU HD22 H 1 0.87 0.01 . 2 . . . . 138 LEU MD2 . 16614 1 1199 . 1 1 109 109 LEU HD23 H 1 0.87 0.01 . 2 . . . . 138 LEU MD2 . 16614 1 1200 . 1 1 109 109 LEU HG H 1 1.73 0.01 . 1 . . . . 138 LEU HG . 16614 1 1201 . 1 1 109 109 LEU C C 13 176.8 0.2 . 1 . . . . 138 LEU C . 16614 1 1202 . 1 1 109 109 LEU CA C 13 55 0.2 . 1 . . . . 138 LEU CA . 16614 1 1203 . 1 1 109 109 LEU CB C 13 41 0.2 . 1 . . . . 138 LEU CB . 16614 1 1204 . 1 1 109 109 LEU CD1 C 13 23.9 0.2 . 2 . . . . 138 LEU CD1 . 16614 1 1205 . 1 1 109 109 LEU N N 15 123.2 0.2 . 1 . . . . 138 LEU N . 16614 1 1206 . 1 1 110 110 ASN H H 1 7.63 0.01 . 1 . . . . 139 ASN H . 16614 1 1207 . 1 1 110 110 ASN HA H 1 4.58 0.01 . 1 . . . . 139 ASN HA . 16614 1 1208 . 1 1 110 110 ASN HB2 H 1 2.75 0.01 . 2 . . . . 139 ASN HB2 . 16614 1 1209 . 1 1 110 110 ASN HB3 H 1 2.75 0.01 . 2 . . . . 139 ASN HB3 . 16614 1 1210 . 1 1 110 110 ASN HD21 H 1 6.77 0.01 . 2 . . . . 139 ASN HD21 . 16614 1 1211 . 1 1 110 110 ASN HD22 H 1 7.59 0.01 . 2 . . . . 139 ASN HD22 . 16614 1 1212 . 1 1 110 110 ASN C C 13 175.9 0.2 . 1 . . . . 139 ASN C . 16614 1 1213 . 1 1 110 110 ASN CA C 13 54 0.2 . 1 . . . . 139 ASN CA . 16614 1 1214 . 1 1 110 110 ASN CB C 13 38.9 0.2 . 1 . . . . 139 ASN CB . 16614 1 1215 . 1 1 110 110 ASN N N 15 115.4 0.2 . 1 . . . . 139 ASN N . 16614 1 1216 . 1 1 110 110 ASN ND2 N 15 112.7 0.2 . 1 . . . . 139 ASN ND2 . 16614 1 1217 . 1 1 111 111 ASP H H 1 8.23 0.01 . 1 . . . . 140 ASP H . 16614 1 1218 . 1 1 111 111 ASP HA H 1 4.58 0.01 . 1 . . . . 140 ASP HA . 16614 1 1219 . 1 1 111 111 ASP HB2 H 1 2.8 0.01 . 2 . . . . 140 ASP HB2 . 16614 1 1220 . 1 1 111 111 ASP HB3 H 1 2.53 0.01 . 2 . . . . 140 ASP HB3 . 16614 1 1221 . 1 1 111 111 ASP C C 13 177.2 0.2 . 1 . . . . 140 ASP C . 16614 1 1222 . 1 1 111 111 ASP CA C 13 55.8 0.2 . 1 . . . . 140 ASP CA . 16614 1 1223 . 1 1 111 111 ASP N N 15 119.2 0.2 . 1 . . . . 140 ASP N . 16614 1 1224 . 1 1 112 112 LEU H H 1 8.2 0.01 . 1 . . . . 141 LEU H . 16614 1 1225 . 1 1 112 112 LEU HA H 1 4.24 0.01 . 1 . . . . 141 LEU HA . 16614 1 1226 . 1 1 112 112 LEU HB2 H 1 1.62 0.01 . 2 . . . . 141 LEU HB2 . 16614 1 1227 . 1 1 112 112 LEU HB3 H 1 1.62 0.01 . 2 . . . . 141 LEU HB3 . 16614 1 1228 . 1 1 112 112 LEU C C 13 176.6 0.2 . 1 . . . . 141 LEU C . 16614 1 1229 . 1 1 112 112 LEU CA C 13 54.6 0.2 . 1 . . . . 141 LEU CA . 16614 1 1230 . 1 1 112 112 LEU CB C 13 41.6 0.2 . 1 . . . . 141 LEU CB . 16614 1 1231 . 1 1 112 112 LEU N N 15 120.2 0.2 . 1 . . . . 141 LEU N . 16614 1 1232 . 1 1 113 113 GLU H H 1 8.47 0.01 . 1 . . . . 142 GLU H . 16614 1 1233 . 1 1 113 113 GLU HA H 1 4.37 0.01 . 1 . . . . 142 GLU HA . 16614 1 1234 . 1 1 113 113 GLU HB2 H 1 2.17 0.01 . 2 . . . . 142 GLU HB2 . 16614 1 1235 . 1 1 113 113 GLU HB3 H 1 1.91 0.01 . 2 . . . . 142 GLU HB3 . 16614 1 1236 . 1 1 113 113 GLU C C 13 176.8 0.2 . 1 . . . . 142 GLU C . 16614 1 1237 . 1 1 113 113 GLU CA C 13 56.7 0.2 . 1 . . . . 142 GLU CA . 16614 1 1238 . 1 1 113 113 GLU CB C 13 31 0.2 . 1 . . . . 142 GLU CB . 16614 1 1239 . 1 1 113 113 GLU N N 15 121.7 0.2 . 1 . . . . 142 GLU N . 16614 1 1240 . 1 1 114 114 THR H H 1 8.25 0.01 . 1 . . . . 143 THR H . 16614 1 1241 . 1 1 114 114 THR HA H 1 4.4 0.01 . 1 . . . . 143 THR HA . 16614 1 1242 . 1 1 114 114 THR HB H 1 4.15 0.01 . 1 . . . . 143 THR HB . 16614 1 1243 . 1 1 114 114 THR HG21 H 1 1.18 0.01 . 1 . . . . 143 THR MG . 16614 1 1244 . 1 1 114 114 THR HG22 H 1 1.18 0.01 . 1 . . . . 143 THR MG . 16614 1 1245 . 1 1 114 114 THR HG23 H 1 1.18 0.01 . 1 . . . . 143 THR MG . 16614 1 1246 . 1 1 114 114 THR C C 13 174.6 0.2 . 1 . . . . 143 THR C . 16614 1 1247 . 1 1 114 114 THR CA C 13 63.1 0.2 . 1 . . . . 143 THR CA . 16614 1 1248 . 1 1 114 114 THR CB C 13 70.1 0.2 . 1 . . . . 143 THR CB . 16614 1 1249 . 1 1 114 114 THR CG2 C 13 22.1 0.2 . 1 . . . . 143 THR CG2 . 16614 1 1250 . 1 1 114 114 THR N N 15 116.5 0.2 . 1 . . . . 143 THR N . 16614 1 1251 . 1 1 115 115 VAL H H 1 8.36 0.01 . 1 . . . . 144 VAL H . 16614 1 1252 . 1 1 115 115 VAL HA H 1 4.3 0.01 . 1 . . . . 144 VAL HA . 16614 1 1253 . 1 1 115 115 VAL HB H 1 2.06 0.01 . 1 . . . . 144 VAL HB . 16614 1 1254 . 1 1 115 115 VAL HG11 H 1 0.91 0.01 . 2 . . . . 144 VAL MG1 . 16614 1 1255 . 1 1 115 115 VAL HG12 H 1 0.91 0.01 . 2 . . . . 144 VAL MG1 . 16614 1 1256 . 1 1 115 115 VAL HG13 H 1 0.91 0.01 . 2 . . . . 144 VAL MG1 . 16614 1 1257 . 1 1 115 115 VAL HG21 H 1 1.17 0.01 . 2 . . . . 144 VAL MG2 . 16614 1 1258 . 1 1 115 115 VAL HG22 H 1 1.17 0.01 . 2 . . . . 144 VAL MG2 . 16614 1 1259 . 1 1 115 115 VAL HG23 H 1 1.17 0.01 . 2 . . . . 144 VAL MG2 . 16614 1 1260 . 1 1 115 115 VAL C C 13 175.9 0.2 . 1 . . . . 144 VAL C . 16614 1 1261 . 1 1 115 115 VAL CA C 13 62.3 0.2 . 1 . . . . 144 VAL CA . 16614 1 1262 . 1 1 115 115 VAL CB C 13 33.7 0.2 . 1 . . . . 144 VAL CB . 16614 1 1263 . 1 1 115 115 VAL CG1 C 13 21.1 0.2 . 2 . . . . 144 VAL CG1 . 16614 1 1264 . 1 1 115 115 VAL CG2 C 13 22.1 0.2 . 2 . . . . 144 VAL CG2 . 16614 1 1265 . 1 1 115 115 VAL N N 15 123.6 0.2 . 1 . . . . 144 VAL N . 16614 1 1266 . 1 1 116 116 LEU H H 1 8.58 0.01 . 1 . . . . 145 LEU H . 16614 1 1267 . 1 1 116 116 LEU HA H 1 4.57 0.01 . 1 . . . . 145 LEU HA . 16614 1 1268 . 1 1 116 116 LEU HB2 H 1 1.64 0.01 . 2 . . . . 145 LEU HB2 . 16614 1 1269 . 1 1 116 116 LEU HB3 H 1 1.64 0.01 . 2 . . . . 145 LEU HB3 . 16614 1 1270 . 1 1 116 116 LEU HD11 H 1 0.93 0.01 . 2 . . . . 145 LEU MD1 . 16614 1 1271 . 1 1 116 116 LEU HD12 H 1 0.93 0.01 . 2 . . . . 145 LEU MD1 . 16614 1 1272 . 1 1 116 116 LEU HD13 H 1 0.93 0.01 . 2 . . . . 145 LEU MD1 . 16614 1 1273 . 1 1 116 116 LEU HD21 H 1 0.93 0.01 . 2 . . . . 145 LEU MD2 . 16614 1 1274 . 1 1 116 116 LEU HD22 H 1 0.93 0.01 . 2 . . . . 145 LEU MD2 . 16614 1 1275 . 1 1 116 116 LEU HD23 H 1 0.93 0.01 . 2 . . . . 145 LEU MD2 . 16614 1 1276 . 1 1 116 116 LEU HG H 1 1.12 0.01 . 1 . . . . 145 LEU HG . 16614 1 1277 . 1 1 116 116 LEU C C 13 177.9 0.2 . 1 . . . . 145 LEU C . 16614 1 1278 . 1 1 116 116 LEU CA C 13 55.2 0.2 . 1 . . . . 145 LEU CA . 16614 1 1279 . 1 1 116 116 LEU CB C 13 42.8 0.2 . 1 . . . . 145 LEU CB . 16614 1 1280 . 1 1 116 116 LEU CD1 C 13 23.8 0.2 . 2 . . . . 145 LEU CD1 . 16614 1 1281 . 1 1 116 116 LEU CD2 C 13 25.2 0.2 . 2 . . . . 145 LEU CD2 . 16614 1 1282 . 1 1 116 116 LEU CG C 13 27.2 0.2 . 1 . . . . 145 LEU CG . 16614 1 1283 . 1 1 116 116 LEU N N 15 126 0.2 . 1 . . . . 145 LEU N . 16614 1 1284 . 1 1 117 117 THR H H 1 8.37 0.01 . 1 . . . . 146 THR H . 16614 1 1285 . 1 1 117 117 THR HA H 1 4.39 0.01 . 1 . . . . 146 THR HA . 16614 1 1286 . 1 1 117 117 THR HB H 1 4.21 0.01 . 1 . . . . 146 THR HB . 16614 1 1287 . 1 1 117 117 THR HG21 H 1 1.16 0.01 . 1 . . . . 146 THR MG . 16614 1 1288 . 1 1 117 117 THR HG22 H 1 1.16 0.01 . 1 . . . . 146 THR MG . 16614 1 1289 . 1 1 117 117 THR HG23 H 1 1.16 0.01 . 1 . . . . 146 THR MG . 16614 1 1290 . 1 1 117 117 THR C C 13 174.7 0.2 . 1 . . . . 146 THR C . 16614 1 1291 . 1 1 117 117 THR CA C 13 61.9 0.2 . 1 . . . . 146 THR CA . 16614 1 1292 . 1 1 117 117 THR CB C 13 70.1 0.2 . 1 . . . . 146 THR CB . 16614 1 1293 . 1 1 117 117 THR CG2 C 13 21.7 0.2 . 1 . . . . 146 THR CG2 . 16614 1 1294 . 1 1 117 117 THR N N 15 115.5 0.2 . 1 . . . . 146 THR N . 16614 1 1295 . 1 1 118 118 SER H H 1 8.37 0.01 . 1 . . . . 147 SER H . 16614 1 1296 . 1 1 118 118 SER HA H 1 4.49 0.01 . 1 . . . . 147 SER HA . 16614 1 1297 . 1 1 118 118 SER HB2 H 1 3.84 0.01 . 2 . . . . 147 SER HB2 . 16614 1 1298 . 1 1 118 118 SER HB3 H 1 3.84 0.01 . 2 . . . . 147 SER HB3 . 16614 1 1299 . 1 1 118 118 SER C C 13 174.3 0.2 . 1 . . . . 147 SER C . 16614 1 1300 . 1 1 118 118 SER CA C 13 58.5 0.2 . 1 . . . . 147 SER CA . 16614 1 1301 . 1 1 118 118 SER CB C 13 64.2 0.2 . 1 . . . . 147 SER CB . 16614 1 1302 . 1 1 118 118 SER N N 15 118.2 0.2 . 1 . . . . 147 SER N . 16614 1 1303 . 1 1 119 119 ARG H H 1 8.43 0.01 . 1 . . . . 148 ARG H . 16614 1 1304 . 1 1 119 119 ARG HA H 1 4.63 0.01 . 1 . . . . 148 ARG HA . 16614 1 1305 . 1 1 119 119 ARG HB2 H 1 1.79 0.01 . 2 . . . . 148 ARG HB2 . 16614 1 1306 . 1 1 119 119 ARG HB3 H 1 1.79 0.01 . 2 . . . . 148 ARG HB3 . 16614 1 1307 . 1 1 119 119 ARG HD2 H 1 3.16 0.01 . 2 . . . . 148 ARG HD2 . 16614 1 1308 . 1 1 119 119 ARG HD3 H 1 3.16 0.01 . 2 . . . . 148 ARG HD3 . 16614 1 1309 . 1 1 119 119 ARG HE H 1 7.23 0.01 . 1 . . . . 148 ARG HE . 16614 1 1310 . 1 1 119 119 ARG HG2 H 1 1.67 0.01 . 2 . . . . 148 ARG HG2 . 16614 1 1311 . 1 1 119 119 ARG HG3 H 1 1.67 0.01 . 2 . . . . 148 ARG HG3 . 16614 1 1312 . 1 1 119 119 ARG CA C 13 54.3 0.2 . 1 . . . . 148 ARG CA . 16614 1 1313 . 1 1 119 119 ARG CB C 13 30.5 0.2 . 1 . . . . 148 ARG CB . 16614 1 1314 . 1 1 119 119 ARG CD C 13 43.8 0.2 . 1 . . . . 148 ARG CD . 16614 1 1315 . 1 1 119 119 ARG CG C 13 26.9 0.2 . 1 . . . . 148 ARG CG . 16614 1 1316 . 1 1 119 119 ARG N N 15 124.1 0.2 . 1 . . . . 148 ARG N . 16614 1 1317 . 1 1 119 119 ARG NE N 15 84.5 0.2 . 1 . . . . 148 ARG NE . 16614 1 1318 . 1 1 121 121 PRO HA H 1 4.66 0.01 . 1 . . . . 150 PRO HA . 16614 1 1319 . 1 1 121 121 PRO HB2 H 1 2.35 0.01 . 2 . . . . 150 PRO HB2 . 16614 1 1320 . 1 1 121 121 PRO HB3 H 1 2.03 0.01 . 2 . . . . 150 PRO HB3 . 16614 1 1321 . 1 1 121 121 PRO HD2 H 1 3.84 0.01 . 2 . . . . 150 PRO HD2 . 16614 1 1322 . 1 1 121 121 PRO HD3 H 1 3.61 0.01 . 2 . . . . 150 PRO HD3 . 16614 1 1323 . 1 1 121 121 PRO HG2 H 1 1.87 0.01 . 2 . . . . 150 PRO HG2 . 16614 1 1324 . 1 1 121 121 PRO HG3 H 1 1.69 0.01 . 2 . . . . 150 PRO HG3 . 16614 1 1325 . 1 1 121 121 PRO C C 13 177 0.2 . 1 . . . . 150 PRO C . 16614 1 1326 . 1 1 121 121 PRO CA C 13 64 0.2 . 1 . . . . 150 PRO CA . 16614 1 1327 . 1 1 121 121 PRO CB C 13 31.2 0.2 . 1 . . . . 150 PRO CB . 16614 1 1328 . 1 1 121 121 PRO CD C 13 50.9 0.2 . 1 . . . . 150 PRO CD . 16614 1 1329 . 1 1 122 122 GLN H H 1 8.54 0.01 . 1 . . . . 151 GLN H . 16614 1 1330 . 1 1 122 122 GLN HA H 1 4.55 0.01 . 1 . . . . 151 GLN HA . 16614 1 1331 . 1 1 122 122 GLN HB2 H 1 2.07 0.01 . 2 . . . . 151 GLN HB2 . 16614 1 1332 . 1 1 122 122 GLN HB3 H 1 1.89 0.01 . 2 . . . . 151 GLN HB3 . 16614 1 1333 . 1 1 122 122 GLN HE21 H 1 6.98 0.01 . 2 . . . . 151 GLN HE21 . 16614 1 1334 . 1 1 122 122 GLN HE22 H 1 7.65 0.01 . 2 . . . . 151 GLN HE22 . 16614 1 1335 . 1 1 122 122 GLN HG2 H 1 2.37 0.01 . 2 . . . . 151 GLN HG2 . 16614 1 1336 . 1 1 122 122 GLN HG3 H 1 2.37 0.01 . 2 . . . . 151 GLN HG3 . 16614 1 1337 . 1 1 122 122 GLN CA C 13 53.8 0.2 . 1 . . . . 151 GLN CA . 16614 1 1338 . 1 1 122 122 GLN CB C 13 29.3 0.2 . 1 . . . . 151 GLN CB . 16614 1 1339 . 1 1 122 122 GLN CG C 13 33.6 0.2 . 1 . . . . 151 GLN CG . 16614 1 1340 . 1 1 122 122 GLN N N 15 121.8 0.2 . 1 . . . . 151 GLN N . 16614 1 1341 . 1 1 122 122 GLN NE2 N 15 113.4 0.2 . 1 . . . . 151 GLN NE2 . 16614 1 1342 . 1 1 123 123 PRO HB2 H 1 2.28 0.01 . 2 . . . . 152 PRO HB2 . 16614 1 1343 . 1 1 123 123 PRO HB3 H 1 1.91 0.01 . 2 . . . . 152 PRO HB3 . 16614 1 1344 . 1 1 123 123 PRO C C 13 177.1 0.2 . 1 . . . . 152 PRO C . 16614 1 1345 . 1 1 123 123 PRO CA C 13 63.2 0.2 . 1 . . . . 152 PRO CA . 16614 1 1346 . 1 1 123 123 PRO CB C 13 32.1 0.2 . 1 . . . . 152 PRO CB . 16614 1 1347 . 1 1 124 124 ALA H H 1 8.64 0.01 . 1 . . . . 153 ALA H . 16614 1 1348 . 1 1 124 124 ALA HA H 1 4.31 0.01 . 1 . . . . 153 ALA HA . 16614 1 1349 . 1 1 124 124 ALA HB1 H 1 1.4 0.01 . 1 . . . . 153 ALA MB . 16614 1 1350 . 1 1 124 124 ALA HB2 H 1 1.4 0.01 . 1 . . . . 153 ALA MB . 16614 1 1351 . 1 1 124 124 ALA HB3 H 1 1.4 0.01 . 1 . . . . 153 ALA MB . 16614 1 1352 . 1 1 124 124 ALA C C 13 178.3 0.2 . 1 . . . . 153 ALA C . 16614 1 1353 . 1 1 124 124 ALA CA C 13 52.9 0.2 . 1 . . . . 153 ALA CA . 16614 1 1354 . 1 1 124 124 ALA CB C 13 19.3 0.2 . 1 . . . . 153 ALA CB . 16614 1 1355 . 1 1 124 124 ALA N N 15 125.2 0.2 . 1 . . . . 153 ALA N . 16614 1 1356 . 1 1 125 125 SER H H 1 8.46 0.01 . 1 . . . . 154 SER H . 16614 1 1357 . 1 1 125 125 SER HA H 1 4.39 0.01 . 1 . . . . 154 SER HA . 16614 1 1358 . 1 1 125 125 SER HB2 H 1 3.87 0.01 . 2 . . . . 154 SER HB2 . 16614 1 1359 . 1 1 125 125 SER HB3 H 1 3.87 0.01 . 2 . . . . 154 SER HB3 . 16614 1 1360 . 1 1 125 125 SER C C 13 175.5 0.2 . 1 . . . . 154 SER C . 16614 1 1361 . 1 1 125 125 SER CA C 13 58.8 0.2 . 1 . . . . 154 SER CA . 16614 1 1362 . 1 1 125 125 SER CB C 13 63.9 0.2 . 1 . . . . 154 SER CB . 16614 1 1363 . 1 1 125 125 SER N N 15 115.5 0.2 . 1 . . . . 154 SER N . 16614 1 1364 . 1 1 126 126 GLY H H 1 8.55 0.01 . 1 . . . . 155 GLY H . 16614 1 1365 . 1 1 126 126 GLY HA2 H 1 4.04 0.01 . 2 . . . . 155 GLY HA2 . 16614 1 1366 . 1 1 126 126 GLY HA3 H 1 3.95 0.01 . 2 . . . . 155 GLY HA3 . 16614 1 1367 . 1 1 126 126 GLY C C 13 173.7 0.2 . 1 . . . . 155 GLY C . 16614 1 1368 . 1 1 126 126 GLY CA C 13 45.7 0.2 . 1 . . . . 155 GLY CA . 16614 1 1369 . 1 1 126 126 GLY N N 15 111.9 0.2 . 1 . . . . 155 GLY N . 16614 1 1370 . 1 1 127 127 SER H H 1 8 0.01 . 1 . . . . 156 SER H . 16614 1 1371 . 1 1 127 127 SER HA H 1 4.27 0.01 . 1 . . . . 156 SER HA . 16614 1 1372 . 1 1 127 127 SER HB2 H 1 3.82 0.01 . 2 . . . . 156 SER HB2 . 16614 1 1373 . 1 1 127 127 SER HB3 H 1 3.82 0.01 . 2 . . . . 156 SER HB3 . 16614 1 1374 . 1 1 127 127 SER CA C 13 60.3 0.2 . 1 . . . . 156 SER CA . 16614 1 1375 . 1 1 127 127 SER CB C 13 65.2 0.2 . 1 . . . . 156 SER CB . 16614 1 1376 . 1 1 127 127 SER N N 15 121.5 0.2 . 1 . . . . 156 SER N . 16614 1 stop_ save_