data_16629 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16629 _Entry.Title ; solution structure of Helicobacter pylori SlyD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-12-07 _Entry.Accession_date 2009-12-07 _Entry.Last_release_date 2012-08-03 _Entry.Original_release_date 2012-08-03 _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 Tianfan Cheng . . . 16629 2 Hongyan Li . . . 16629 3 Wei Xia . . . 16629 4 'Kong Hung' Sze . . . 16629 5 Hongzhe Sun . . . 16629 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 16629 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 16629 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16629 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 655 16629 '15N chemical shifts' 161 16629 '1H chemical shifts' 1083 16629 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-08-03 2009-12-07 original author . 16629 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KR7 'BMRB Entry Tracking System' 16629 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16629 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structural and functional study of SlyD from helicobacter pylori' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Tianfan Cheng . . . 16629 1 2 Hongyan Li . . . 16629 1 3 Wei Xia . . . 16629 1 4 'Kong Hung' Sze . . . 16629 1 5 Hongzhe Sun . . . 16629 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16629 _Assembly.ID 1 _Assembly.Name SlyD _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SlyD 1 $entity A . yes native no no . . . 16629 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16629 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SlyD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQNHDLESIKQAALIEYEVR EQGSSIVLDSNISKEPLEFI IGTNQIIAGLEKAVLKAQIG EWEEVVIAPEEAYGVYESSY LQEVPRDQFEGIELEKGMSV FGQTEDNQTIQAIIKDFSAT HVMVDYNHPLAGKTLAFRFK VLGFREVSEEE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 151 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17039.195 _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 2KR7 . "Solution Structure Of Helicobacter Pylori Slyd" . . . . . 100.00 151 100.00 100.00 2.86e-103 . . . . 16629 1 2 no DBJ BAJ58642 . "peptidyl-prolyl cis-trans isomerase [Helicobacter pylori F32]" . . . . . 100.00 185 98.68 99.34 1.35e-102 . . . . 16629 1 3 no DBJ BAM96994 . "peptidyl-prolyl cis-trans isomerase [Helicobacter pylori OK113]" . . . . . 100.00 185 97.35 98.01 7.61e-101 . . . . 16629 1 4 no DBJ BAO97129 . "FKBP-type peptidyl-prolyl cis-trans isomerase slyD [Helicobacter pylori NY40]" . . . . . 100.00 185 97.35 97.35 9.59e-100 . . . . 16629 1 5 no EMBL CBI65934 . "FKBP-type peptidyl-prolyl cis-trans isomerase SlyD [Helicobacter pylori B8]" . . . . . 100.00 185 98.01 98.01 8.97e-101 . . . . 16629 1 6 no GB AAD08168 . "peptidyl-prolyl cis-trans isomerase, FKBP-type rotamase (slyD) [Helicobacter pylori 26695]" . . . . . 100.00 185 100.00 100.00 2.12e-103 . . . . 16629 1 7 no GB ABF85129 . "peptidyl-prolyl cis-trans isomerase [Helicobacter pylori HPAG1]" . . . . . 100.00 185 97.35 98.01 7.61e-101 . . . . 16629 1 8 no GB ACX99620 . "peptidyl-prolyl cis-trans isomerase [Helicobacter pylori 52]" . . . . . 100.00 185 97.35 97.35 9.69e-100 . . . . 16629 1 9 no GB ADO07305 . "FKBP-type peptidyl-prolyl cis-trans isomerase slyD [Helicobacter pylori PeCan4]" . . . . . 100.00 185 97.35 97.35 9.69e-100 . . . . 16629 1 10 no GB ADU80316 . "FKBP-type peptidyl-prolyl cis-trans isomerase slyD [Helicobacter pylori India7]" . . . . . 100.00 185 97.35 98.01 5.93e-100 . . . . 16629 1 11 no REF NP_207914 . "peptidyl-prolyl cis-trans isomerase [Helicobacter pylori 26695]" . . . . . 100.00 185 100.00 100.00 2.12e-103 . . . . 16629 1 12 no REF WP_001179275 . "peptidyl-prolyl cis-trans isomerase [Helicobacter pylori]" . . . . . 100.00 185 97.35 97.35 1.05e-99 . . . . 16629 1 13 no REF WP_001179276 . "peptidyl-prolyl cis-trans isomerase [Helicobacter pylori]" . . . . . 100.00 185 97.35 97.35 4.37e-99 . . . . 16629 1 14 no REF WP_001179277 . "peptidyl-prolyl cis-trans isomerase [Helicobacter pylori]" . . . . . 100.00 185 97.35 97.35 2.27e-99 . . . . 16629 1 15 no REF WP_001179282 . "peptidyl-prolyl cis-trans isomerase [Helicobacter pylori]" . . . . . 100.00 185 97.35 98.01 1.53e-100 . . . . 16629 1 16 no SP O25748 . "RecName: Full=FKBP-type peptidyl-prolyl cis-trans isomerase SlyD; Short=PPIase; AltName: Full=Metallochaperone SlyD" . . . . . 100.00 185 100.00 100.00 2.12e-103 . . . . 16629 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16629 1 2 . GLN . 16629 1 3 . ASN . 16629 1 4 . HIS . 16629 1 5 . ASP . 16629 1 6 . LEU . 16629 1 7 . GLU . 16629 1 8 . SER . 16629 1 9 . ILE . 16629 1 10 . LYS . 16629 1 11 . GLN . 16629 1 12 . ALA . 16629 1 13 . ALA . 16629 1 14 . LEU . 16629 1 15 . ILE . 16629 1 16 . GLU . 16629 1 17 . TYR . 16629 1 18 . GLU . 16629 1 19 . VAL . 16629 1 20 . ARG . 16629 1 21 . GLU . 16629 1 22 . GLN . 16629 1 23 . GLY . 16629 1 24 . SER . 16629 1 25 . SER . 16629 1 26 . ILE . 16629 1 27 . VAL . 16629 1 28 . LEU . 16629 1 29 . ASP . 16629 1 30 . SER . 16629 1 31 . ASN . 16629 1 32 . ILE . 16629 1 33 . SER . 16629 1 34 . LYS . 16629 1 35 . GLU . 16629 1 36 . PRO . 16629 1 37 . LEU . 16629 1 38 . GLU . 16629 1 39 . PHE . 16629 1 40 . ILE . 16629 1 41 . ILE . 16629 1 42 . GLY . 16629 1 43 . THR . 16629 1 44 . ASN . 16629 1 45 . GLN . 16629 1 46 . ILE . 16629 1 47 . ILE . 16629 1 48 . ALA . 16629 1 49 . GLY . 16629 1 50 . LEU . 16629 1 51 . GLU . 16629 1 52 . LYS . 16629 1 53 . ALA . 16629 1 54 . VAL . 16629 1 55 . LEU . 16629 1 56 . LYS . 16629 1 57 . ALA . 16629 1 58 . GLN . 16629 1 59 . ILE . 16629 1 60 . GLY . 16629 1 61 . GLU . 16629 1 62 . TRP . 16629 1 63 . GLU . 16629 1 64 . GLU . 16629 1 65 . VAL . 16629 1 66 . VAL . 16629 1 67 . ILE . 16629 1 68 . ALA . 16629 1 69 . PRO . 16629 1 70 . GLU . 16629 1 71 . GLU . 16629 1 72 . ALA . 16629 1 73 . TYR . 16629 1 74 . GLY . 16629 1 75 . VAL . 16629 1 76 . TYR . 16629 1 77 . GLU . 16629 1 78 . SER . 16629 1 79 . SER . 16629 1 80 . TYR . 16629 1 81 . LEU . 16629 1 82 . GLN . 16629 1 83 . GLU . 16629 1 84 . VAL . 16629 1 85 . PRO . 16629 1 86 . ARG . 16629 1 87 . ASP . 16629 1 88 . GLN . 16629 1 89 . PHE . 16629 1 90 . GLU . 16629 1 91 . GLY . 16629 1 92 . ILE . 16629 1 93 . GLU . 16629 1 94 . LEU . 16629 1 95 . GLU . 16629 1 96 . LYS . 16629 1 97 . GLY . 16629 1 98 . MET . 16629 1 99 . SER . 16629 1 100 . VAL . 16629 1 101 . PHE . 16629 1 102 . GLY . 16629 1 103 . GLN . 16629 1 104 . THR . 16629 1 105 . GLU . 16629 1 106 . ASP . 16629 1 107 . ASN . 16629 1 108 . GLN . 16629 1 109 . THR . 16629 1 110 . ILE . 16629 1 111 . GLN . 16629 1 112 . ALA . 16629 1 113 . ILE . 16629 1 114 . ILE . 16629 1 115 . LYS . 16629 1 116 . ASP . 16629 1 117 . PHE . 16629 1 118 . SER . 16629 1 119 . ALA . 16629 1 120 . THR . 16629 1 121 . HIS . 16629 1 122 . VAL . 16629 1 123 . MET . 16629 1 124 . VAL . 16629 1 125 . ASP . 16629 1 126 . TYR . 16629 1 127 . ASN . 16629 1 128 . HIS . 16629 1 129 . PRO . 16629 1 130 . LEU . 16629 1 131 . ALA . 16629 1 132 . GLY . 16629 1 133 . LYS . 16629 1 134 . THR . 16629 1 135 . LEU . 16629 1 136 . ALA . 16629 1 137 . PHE . 16629 1 138 . ARG . 16629 1 139 . PHE . 16629 1 140 . LYS . 16629 1 141 . VAL . 16629 1 142 . LEU . 16629 1 143 . GLY . 16629 1 144 . PHE . 16629 1 145 . ARG . 16629 1 146 . GLU . 16629 1 147 . VAL . 16629 1 148 . SER . 16629 1 149 . GLU . 16629 1 150 . GLU . 16629 1 151 . GLU . 16629 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16629 1 . GLN 2 2 16629 1 . ASN 3 3 16629 1 . HIS 4 4 16629 1 . ASP 5 5 16629 1 . LEU 6 6 16629 1 . GLU 7 7 16629 1 . SER 8 8 16629 1 . ILE 9 9 16629 1 . LYS 10 10 16629 1 . GLN 11 11 16629 1 . ALA 12 12 16629 1 . ALA 13 13 16629 1 . LEU 14 14 16629 1 . ILE 15 15 16629 1 . GLU 16 16 16629 1 . TYR 17 17 16629 1 . GLU 18 18 16629 1 . VAL 19 19 16629 1 . ARG 20 20 16629 1 . GLU 21 21 16629 1 . GLN 22 22 16629 1 . GLY 23 23 16629 1 . SER 24 24 16629 1 . SER 25 25 16629 1 . ILE 26 26 16629 1 . VAL 27 27 16629 1 . LEU 28 28 16629 1 . ASP 29 29 16629 1 . SER 30 30 16629 1 . ASN 31 31 16629 1 . ILE 32 32 16629 1 . SER 33 33 16629 1 . LYS 34 34 16629 1 . GLU 35 35 16629 1 . PRO 36 36 16629 1 . LEU 37 37 16629 1 . GLU 38 38 16629 1 . PHE 39 39 16629 1 . ILE 40 40 16629 1 . ILE 41 41 16629 1 . GLY 42 42 16629 1 . THR 43 43 16629 1 . ASN 44 44 16629 1 . GLN 45 45 16629 1 . ILE 46 46 16629 1 . ILE 47 47 16629 1 . ALA 48 48 16629 1 . GLY 49 49 16629 1 . LEU 50 50 16629 1 . GLU 51 51 16629 1 . LYS 52 52 16629 1 . ALA 53 53 16629 1 . VAL 54 54 16629 1 . LEU 55 55 16629 1 . LYS 56 56 16629 1 . ALA 57 57 16629 1 . GLN 58 58 16629 1 . ILE 59 59 16629 1 . GLY 60 60 16629 1 . GLU 61 61 16629 1 . TRP 62 62 16629 1 . GLU 63 63 16629 1 . GLU 64 64 16629 1 . VAL 65 65 16629 1 . VAL 66 66 16629 1 . ILE 67 67 16629 1 . ALA 68 68 16629 1 . PRO 69 69 16629 1 . GLU 70 70 16629 1 . GLU 71 71 16629 1 . ALA 72 72 16629 1 . TYR 73 73 16629 1 . GLY 74 74 16629 1 . VAL 75 75 16629 1 . TYR 76 76 16629 1 . GLU 77 77 16629 1 . SER 78 78 16629 1 . SER 79 79 16629 1 . TYR 80 80 16629 1 . LEU 81 81 16629 1 . GLN 82 82 16629 1 . GLU 83 83 16629 1 . VAL 84 84 16629 1 . PRO 85 85 16629 1 . ARG 86 86 16629 1 . ASP 87 87 16629 1 . GLN 88 88 16629 1 . PHE 89 89 16629 1 . GLU 90 90 16629 1 . GLY 91 91 16629 1 . ILE 92 92 16629 1 . GLU 93 93 16629 1 . LEU 94 94 16629 1 . GLU 95 95 16629 1 . LYS 96 96 16629 1 . GLY 97 97 16629 1 . MET 98 98 16629 1 . SER 99 99 16629 1 . VAL 100 100 16629 1 . PHE 101 101 16629 1 . GLY 102 102 16629 1 . GLN 103 103 16629 1 . THR 104 104 16629 1 . GLU 105 105 16629 1 . ASP 106 106 16629 1 . ASN 107 107 16629 1 . GLN 108 108 16629 1 . THR 109 109 16629 1 . ILE 110 110 16629 1 . GLN 111 111 16629 1 . ALA 112 112 16629 1 . ILE 113 113 16629 1 . ILE 114 114 16629 1 . LYS 115 115 16629 1 . ASP 116 116 16629 1 . PHE 117 117 16629 1 . SER 118 118 16629 1 . ALA 119 119 16629 1 . THR 120 120 16629 1 . HIS 121 121 16629 1 . VAL 122 122 16629 1 . MET 123 123 16629 1 . VAL 124 124 16629 1 . ASP 125 125 16629 1 . TYR 126 126 16629 1 . ASN 127 127 16629 1 . HIS 128 128 16629 1 . PRO 129 129 16629 1 . LEU 130 130 16629 1 . ALA 131 131 16629 1 . GLY 132 132 16629 1 . LYS 133 133 16629 1 . THR 134 134 16629 1 . LEU 135 135 16629 1 . ALA 136 136 16629 1 . PHE 137 137 16629 1 . ARG 138 138 16629 1 . PHE 139 139 16629 1 . LYS 140 140 16629 1 . VAL 141 141 16629 1 . LEU 142 142 16629 1 . GLY 143 143 16629 1 . PHE 144 144 16629 1 . ARG 145 145 16629 1 . GLU 146 146 16629 1 . VAL 147 147 16629 1 . SER 148 148 16629 1 . GLU 149 149 16629 1 . GLU 150 150 16629 1 . GLU 151 151 16629 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 16629 _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 $entity . 210 virus . 'Helicobacter pylori' 'Helicobacter pylori' . . Eubacteria . Helicobacter pylori 26695 . . . . . . . . . . . . . . . . . . . . 16629 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 16629 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET-32a(+) . . . . . . 16629 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16629 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.3 mM in 20 mM Tris buffer,100 mM NaCl,0.02% NaN3, pH 6.8' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SlyD '[U-100% 13C; U-100% 15N]' . . 1 $entity . . . 1 1.5 mM . . . . 16629 1 2 'Tris buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 16629 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16629 1 4 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 16629 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16629 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16629 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16629 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SlyD '[U-100% 13C; U-100% 15N]' . . 1 $entity . . . 1 1.5 mM . . . . 16629 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16629 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 16629 _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' 0.1 . M 16629 1 pH 6.8 . pH 16629 1 pressure 1 . atm 16629 1 temperature 298 . K 16629 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16629 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16629 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16629 1 'structure solution' 16629 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 16629 _Software.ID 2 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 16629 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16629 2 'structure solution' 16629 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 16629 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16629 _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 . 600 . . . 16629 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 16629 _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 . . . . . . . . . . . . . . . . 16629 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16629 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16629 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16629 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16629 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16629 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16629 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16629 1 9 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16629 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16629 1 11 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16629 1 12 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16629 1 13 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16629 1 14 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16629 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16629 1 16 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16629 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 16629 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'DSS is used for directly 1H referencing' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.25144953 . . . . . . . . . 16629 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0000 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 16629 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.10132918 . . . . . . . . . 16629 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 16629 _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' . . . 16629 1 2 '2D 1H-13C HSQC' . . . 16629 1 3 '3D CBCA(CO)NH' . . . 16629 1 4 '3D HNCACB' . . . 16629 1 5 '3D HNCO' . . . 16629 1 6 '3D HN(CA)CO' . . . 16629 1 9 '3D HNCA' . . . 16629 1 10 '3D HCCH-TOCSY' . . . 16629 1 11 '3D HCCH-COSY' . . . 16629 1 12 '3D HBHA(CO)NH' . . . 16629 1 13 '3D HNHA' . . . 16629 1 14 '3D HN(CO)CA' . . . 16629 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 3.963 0.005 . 1 . . . . 1 MET HA . 16629 1 2 . 1 1 1 1 MET HB2 H 1 2.074 0.005 . 2 . . . . 1 MET QB . 16629 1 3 . 1 1 1 1 MET HB3 H 1 2.074 0.005 . 2 . . . . 1 MET QB . 16629 1 4 . 1 1 1 1 MET HE1 H 1 2.086 0.000 . . . . . . 1 MET QE . 16629 1 5 . 1 1 1 1 MET HE2 H 1 2.086 0.000 . . . . . . 1 MET QE . 16629 1 6 . 1 1 1 1 MET HE3 H 1 2.086 0.000 . . . . . . 1 MET QE . 16629 1 7 . 1 1 1 1 MET HG2 H 1 2.568 0.005 . 2 . . . . 1 MET QG . 16629 1 8 . 1 1 1 1 MET HG3 H 1 2.568 0.005 . 2 . . . . 1 MET QG . 16629 1 9 . 1 1 1 1 MET CA C 13 55.267 0.021 . 1 . . . . 1 MET CA . 16629 1 10 . 1 1 1 1 MET CB C 13 33.813 0.088 . 1 . . . . 1 MET CB . 16629 1 11 . 1 1 1 1 MET CE C 13 16.797 0.000 . 1 . . . . 1 MET CE . 16629 1 12 . 1 1 1 1 MET CG C 13 31.130 0.078 . 1 . . . . 1 MET CG . 16629 1 13 . 1 1 2 2 GLN HA H 1 4.370 0.008 . 1 . . . . 2 GLN HA . 16629 1 14 . 1 1 2 2 GLN HB2 H 1 1.942 0.011 . 2 . . . . 2 GLN HB2 . 16629 1 15 . 1 1 2 2 GLN HB3 H 1 2.011 0.008 . 2 . . . . 2 GLN HB3 . 16629 1 16 . 1 1 2 2 GLN HE21 H 1 7.574 0.006 . 2 . . . . 2 GLN HE21 . 16629 1 17 . 1 1 2 2 GLN HE22 H 1 6.891 0.008 . 2 . . . . 2 GLN HE22 . 16629 1 18 . 1 1 2 2 GLN HG2 H 1 2.318 0.005 . 2 . . . . 2 GLN QG . 16629 1 19 . 1 1 2 2 GLN HG3 H 1 2.318 0.005 . 2 . . . . 2 GLN QG . 16629 1 20 . 1 1 2 2 GLN C C 13 175.186 0.004 . 1 . . . . 2 GLN C . 16629 1 21 . 1 1 2 2 GLN CA C 13 55.779 0.093 . 1 . . . . 2 GLN CA . 16629 1 22 . 1 1 2 2 GLN CB C 13 29.693 0.143 . 1 . . . . 2 GLN CB . 16629 1 23 . 1 1 2 2 GLN CD C 13 180.378 0.019 . 1 . . . . 2 GLN CD . 16629 1 24 . 1 1 2 2 GLN CG C 13 33.757 0.092 . 1 . . . . 2 GLN CG . 16629 1 25 . 1 1 2 2 GLN NE2 N 15 112.455 0.147 . 1 . . . . 2 GLN NE2 . 16629 1 26 . 1 1 3 3 ASN H H 1 8.610 0.007 . 1 . . . . 3 ASN H . 16629 1 27 . 1 1 3 3 ASN HA H 1 4.641 0.014 . 1 . . . . 3 ASN HA . 16629 1 28 . 1 1 3 3 ASN HB2 H 1 2.718 0.010 . 2 . . . . 3 ASN HB2 . 16629 1 29 . 1 1 3 3 ASN HB3 H 1 2.775 0.021 . 2 . . . . 3 ASN HB3 . 16629 1 30 . 1 1 3 3 ASN HD21 H 1 7.632 0.003 . 2 . . . . 3 ASN HD21 . 16629 1 31 . 1 1 3 3 ASN HD22 H 1 6.924 0.007 . 2 . . . . 3 ASN HD22 . 16629 1 32 . 1 1 3 3 ASN C C 13 175.072 0.021 . 1 . . . . 3 ASN C . 16629 1 33 . 1 1 3 3 ASN CA C 13 53.416 0.161 . 1 . . . . 3 ASN CA . 16629 1 34 . 1 1 3 3 ASN CB C 13 38.937 0.154 . 1 . . . . 3 ASN CB . 16629 1 35 . 1 1 3 3 ASN CG C 13 176.822 0.014 . 1 . . . . 3 ASN CG . 16629 1 36 . 1 1 3 3 ASN N N 15 120.614 0.191 . 1 . . . . 3 ASN N . 16629 1 37 . 1 1 3 3 ASN ND2 N 15 112.836 0.148 . 1 . . . . 3 ASN ND2 . 16629 1 38 . 1 1 4 4 HIS H H 1 8.447 0.008 . 1 . . . . 4 HIS H . 16629 1 39 . 1 1 4 4 HIS HA H 1 4.608 0.006 . 1 . . . . 4 HIS HA . 16629 1 40 . 1 1 4 4 HIS HB2 H 1 3.054 0.004 . 2 . . . . 4 HIS HB2 . 16629 1 41 . 1 1 4 4 HIS HB3 H 1 3.162 0.012 . 2 . . . . 4 HIS HB3 . 16629 1 42 . 1 1 4 4 HIS HD2 H 1 7.100 0.030 . 1 . . . . 4 HIS HD2 . 16629 1 43 . 1 1 4 4 HIS HE1 H 1 8.138 0.000 . 1 . . . . 4 HIS HE1 . 16629 1 44 . 1 1 4 4 HIS C C 13 174.709 0.017 . 1 . . . . 4 HIS C . 16629 1 45 . 1 1 4 4 HIS CA C 13 56.212 0.080 . 1 . . . . 4 HIS CA . 16629 1 46 . 1 1 4 4 HIS CB C 13 30.263 0.150 . 1 . . . . 4 HIS CB . 16629 1 47 . 1 1 4 4 HIS CD2 C 13 120.125 0.086 . 1 . . . . 4 HIS CD2 . 16629 1 48 . 1 1 4 4 HIS CE1 C 13 137.457 0.000 . 1 . . . . 4 HIS CE1 . 16629 1 49 . 1 1 4 4 HIS N N 15 119.971 0.206 . 1 . . . . 4 HIS N . 16629 1 50 . 1 1 5 5 ASP H H 1 8.367 0.008 . 1 . . . . 5 ASP H . 16629 1 51 . 1 1 5 5 ASP HA H 1 4.570 0.014 . 1 . . . . 5 ASP HA . 16629 1 52 . 1 1 5 5 ASP HB2 H 1 2.604 0.005 . 2 . . . . 5 ASP HB2 . 16629 1 53 . 1 1 5 5 ASP HB3 H 1 2.710 0.005 . 2 . . . . 5 ASP HB3 . 16629 1 54 . 1 1 5 5 ASP C C 13 176.352 0.011 . 1 . . . . 5 ASP C . 16629 1 55 . 1 1 5 5 ASP CA C 13 54.655 0.124 . 1 . . . . 5 ASP CA . 16629 1 56 . 1 1 5 5 ASP CB C 13 40.965 0.121 . 1 . . . . 5 ASP CB . 16629 1 57 . 1 1 5 5 ASP N N 15 121.281 0.137 . 1 . . . . 5 ASP N . 16629 1 58 . 1 1 6 6 LEU H H 1 8.182 0.011 . 1 . . . . 6 LEU H . 16629 1 59 . 1 1 6 6 LEU HA H 1 4.287 0.009 . 1 . . . . 6 LEU HA . 16629 1 60 . 1 1 6 6 LEU HB2 H 1 1.600 0.009 . 2 . . . . 6 LEU HB2 . 16629 1 61 . 1 1 6 6 LEU HB3 H 1 1.666 0.009 . 2 . . . . 6 LEU HB3 . 16629 1 62 . 1 1 6 6 LEU HD11 H 1 0.918 0.005 . . . . . . 6 LEU QD1 . 16629 1 63 . 1 1 6 6 LEU HD12 H 1 0.918 0.005 . . . . . . 6 LEU QD1 . 16629 1 64 . 1 1 6 6 LEU HD13 H 1 0.918 0.005 . . . . . . 6 LEU QD1 . 16629 1 65 . 1 1 6 6 LEU HD21 H 1 0.851 0.004 . . . . . . 6 LEU QD2 . 16629 1 66 . 1 1 6 6 LEU HD22 H 1 0.851 0.004 . . . . . . 6 LEU QD2 . 16629 1 67 . 1 1 6 6 LEU HD23 H 1 0.851 0.004 . . . . . . 6 LEU QD2 . 16629 1 68 . 1 1 6 6 LEU HG H 1 1.617 0.004 . 1 . . . . 6 LEU HG . 16629 1 69 . 1 1 6 6 LEU C C 13 177.664 0.005 . 1 . . . . 6 LEU C . 16629 1 70 . 1 1 6 6 LEU CA C 13 55.531 0.141 . 1 . . . . 6 LEU CA . 16629 1 71 . 1 1 6 6 LEU CB C 13 42.260 0.072 . 1 . . . . 6 LEU CB . 16629 1 72 . 1 1 6 6 LEU CD1 C 13 25.008 0.078 . 2 . . . . 6 LEU CD1 . 16629 1 73 . 1 1 6 6 LEU CD2 C 13 23.346 0.068 . 2 . . . . 6 LEU CD2 . 16629 1 74 . 1 1 6 6 LEU CG C 13 27.020 0.028 . 1 . . . . 6 LEU CG . 16629 1 75 . 1 1 6 6 LEU N N 15 121.944 0.162 . 1 . . . . 6 LEU N . 16629 1 76 . 1 1 7 7 GLU H H 1 8.307 0.010 . 1 . . . . 7 GLU H . 16629 1 77 . 1 1 7 7 GLU HA H 1 4.261 0.005 . 1 . . . . 7 GLU HA . 16629 1 78 . 1 1 7 7 GLU HB2 H 1 1.961 0.005 . 2 . . . . 7 GLU HB2 . 16629 1 79 . 1 1 7 7 GLU HB3 H 1 2.076 0.015 . 2 . . . . 7 GLU HB3 . 16629 1 80 . 1 1 7 7 GLU HG2 H 1 2.263 0.010 . 2 . . . . 7 GLU QG . 16629 1 81 . 1 1 7 7 GLU HG3 H 1 2.263 0.010 . 2 . . . . 7 GLU QG . 16629 1 82 . 1 1 7 7 GLU C C 13 176.569 0.007 . 1 . . . . 7 GLU C . 16629 1 83 . 1 1 7 7 GLU CA C 13 56.952 0.105 . 1 . . . . 7 GLU CA . 16629 1 84 . 1 1 7 7 GLU CB C 13 30.253 0.094 . 1 . . . . 7 GLU CB . 16629 1 85 . 1 1 7 7 GLU CG C 13 36.350 0.078 . 1 . . . . 7 GLU CG . 16629 1 86 . 1 1 7 7 GLU N N 15 120.375 0.193 . 1 . . . . 7 GLU N . 16629 1 87 . 1 1 8 8 SER H H 1 8.142 0.011 . 1 . . . . 8 SER H . 16629 1 88 . 1 1 8 8 SER HA H 1 4.441 0.010 . 1 . . . . 8 SER HA . 16629 1 89 . 1 1 8 8 SER HB2 H 1 3.838 0.010 . 2 . . . . 8 SER QB . 16629 1 90 . 1 1 8 8 SER HB3 H 1 3.838 0.010 . 2 . . . . 8 SER QB . 16629 1 91 . 1 1 8 8 SER C C 13 174.012 0.007 . 1 . . . . 8 SER C . 16629 1 92 . 1 1 8 8 SER CA C 13 58.268 0.150 . 1 . . . . 8 SER CA . 16629 1 93 . 1 1 8 8 SER CB C 13 63.952 0.169 . 1 . . . . 8 SER CB . 16629 1 94 . 1 1 8 8 SER N N 15 116.048 0.132 . 1 . . . . 8 SER N . 16629 1 95 . 1 1 9 9 ILE H H 1 7.950 0.008 . 1 . . . . 9 ILE H . 16629 1 96 . 1 1 9 9 ILE HA H 1 4.233 0.011 . 1 . . . . 9 ILE HA . 16629 1 97 . 1 1 9 9 ILE HB H 1 1.803 0.009 . 1 . . . . 9 ILE HB . 16629 1 98 . 1 1 9 9 ILE HD11 H 1 0.800 0.016 . . . . . . 9 ILE QD1 . 16629 1 99 . 1 1 9 9 ILE HD12 H 1 0.800 0.016 . . . . . . 9 ILE QD1 . 16629 1 100 . 1 1 9 9 ILE HD13 H 1 0.800 0.016 . . . . . . 9 ILE QD1 . 16629 1 101 . 1 1 9 9 ILE HG12 H 1 1.448 0.010 . 2 . . . . 9 ILE HG12 . 16629 1 102 . 1 1 9 9 ILE HG13 H 1 1.149 0.009 . 2 . . . . 9 ILE HG13 . 16629 1 103 . 1 1 9 9 ILE HG21 H 1 0.874 0.004 . . . . . . 9 ILE QG2 . 16629 1 104 . 1 1 9 9 ILE HG22 H 1 0.874 0.004 . . . . . . 9 ILE QG2 . 16629 1 105 . 1 1 9 9 ILE HG23 H 1 0.874 0.004 . . . . . . 9 ILE QG2 . 16629 1 106 . 1 1 9 9 ILE C C 13 175.808 0.003 . 1 . . . . 9 ILE C . 16629 1 107 . 1 1 9 9 ILE CA C 13 60.863 0.118 . 1 . . . . 9 ILE CA . 16629 1 108 . 1 1 9 9 ILE CB C 13 39.025 0.075 . 1 . . . . 9 ILE CB . 16629 1 109 . 1 1 9 9 ILE CD1 C 13 12.928 0.037 . 1 . . . . 9 ILE CD1 . 16629 1 110 . 1 1 9 9 ILE CG1 C 13 27.301 0.076 . 1 . . . . 9 ILE CG1 . 16629 1 111 . 1 1 9 9 ILE CG2 C 13 17.589 0.048 . 1 . . . . 9 ILE CG2 . 16629 1 112 . 1 1 9 9 ILE N N 15 122.817 0.188 . 1 . . . . 9 ILE N . 16629 1 113 . 1 1 10 10 LYS H H 1 8.623 0.004 . 1 . . . . 10 LYS H . 16629 1 114 . 1 1 10 10 LYS HA H 1 4.508 0.011 . 1 . . . . 10 LYS HA . 16629 1 115 . 1 1 10 10 LYS HB2 H 1 1.734 0.010 . 2 . . . . 10 LYS QB . 16629 1 116 . 1 1 10 10 LYS HB3 H 1 1.734 0.010 . 2 . . . . 10 LYS QB . 16629 1 117 . 1 1 10 10 LYS HD2 H 1 1.624 0.006 . 2 . . . . 10 LYS QD . 16629 1 118 . 1 1 10 10 LYS HD3 H 1 1.624 0.006 . 2 . . . . 10 LYS QD . 16629 1 119 . 1 1 10 10 LYS HE2 H 1 2.917 0.007 . 2 . . . . 10 LYS QE . 16629 1 120 . 1 1 10 10 LYS HE3 H 1 2.917 0.007 . 2 . . . . 10 LYS QE . 16629 1 121 . 1 1 10 10 LYS HG2 H 1 1.346 0.007 . 2 . . . . 10 LYS HG2 . 16629 1 122 . 1 1 10 10 LYS HG3 H 1 1.474 0.003 . 2 . . . . 10 LYS HG3 . 16629 1 123 . 1 1 10 10 LYS C C 13 175.144 0.009 . 1 . . . . 10 LYS C . 16629 1 124 . 1 1 10 10 LYS CA C 13 55.651 0.145 . 1 . . . . 10 LYS CA . 16629 1 125 . 1 1 10 10 LYS CB C 13 33.787 0.131 . 1 . . . . 10 LYS CB . 16629 1 126 . 1 1 10 10 LYS CD C 13 29.054 0.065 . 1 . . . . 10 LYS CD . 16629 1 127 . 1 1 10 10 LYS CE C 13 41.834 0.223 . 1 . . . . 10 LYS CE . 16629 1 128 . 1 1 10 10 LYS CG C 13 25.098 0.069 . 1 . . . . 10 LYS CG . 16629 1 129 . 1 1 10 10 LYS N N 15 127.185 0.130 . 1 . . . . 10 LYS N . 16629 1 130 . 1 1 11 11 GLN H H 1 8.765 0.004 . 1 . . . . 11 GLN H . 16629 1 131 . 1 1 11 11 GLN HA H 1 5.043 0.014 . 1 . . . . 11 GLN HA . 16629 1 132 . 1 1 11 11 GLN HB2 H 1 1.816 0.011 . 2 . . . . 11 GLN HB2 . 16629 1 133 . 1 1 11 11 GLN HB3 H 1 1.961 0.012 . 2 . . . . 11 GLN HB3 . 16629 1 134 . 1 1 11 11 GLN HE21 H 1 6.487 0.002 . 2 . . . . 11 GLN HE21 . 16629 1 135 . 1 1 11 11 GLN HE22 H 1 7.240 0.003 . 2 . . . . 11 GLN HE22 . 16629 1 136 . 1 1 11 11 GLN HG2 H 1 2.225 0.009 . 2 . . . . 11 GLN HG2 . 16629 1 137 . 1 1 11 11 GLN HG3 H 1 2.137 0.013 . 2 . . . . 11 GLN HG3 . 16629 1 138 . 1 1 11 11 GLN C C 13 173.532 0.004 . 1 . . . . 11 GLN C . 16629 1 139 . 1 1 11 11 GLN CA C 13 54.552 0.079 . 1 . . . . 11 GLN CA . 16629 1 140 . 1 1 11 11 GLN CB C 13 32.943 0.128 . 1 . . . . 11 GLN CB . 16629 1 141 . 1 1 11 11 GLN CD C 13 179.415 0.010 . 1 . . . . 11 GLN CD . 16629 1 142 . 1 1 11 11 GLN CG C 13 34.244 0.064 . 1 . . . . 11 GLN CG . 16629 1 143 . 1 1 11 11 GLN N N 15 121.244 0.121 . 1 . . . . 11 GLN N . 16629 1 144 . 1 1 11 11 GLN NE2 N 15 110.157 0.105 . 1 . . . . 11 GLN NE2 . 16629 1 145 . 1 1 12 12 ALA H H 1 9.123 0.008 . 1 . . . . 12 ALA H . 16629 1 146 . 1 1 12 12 ALA HA H 1 5.193 0.015 . 1 . . . . 12 ALA HA . 16629 1 147 . 1 1 12 12 ALA HB1 H 1 1.013 0.016 . . . . . . 12 ALA QB . 16629 1 148 . 1 1 12 12 ALA HB2 H 1 1.013 0.016 . . . . . . 12 ALA QB . 16629 1 149 . 1 1 12 12 ALA HB3 H 1 1.013 0.016 . . . . . . 12 ALA QB . 16629 1 150 . 1 1 12 12 ALA C C 13 176.067 0.012 . 1 . . . . 12 ALA C . 16629 1 151 . 1 1 12 12 ALA CA C 13 49.616 0.078 . 1 . . . . 12 ALA CA . 16629 1 152 . 1 1 12 12 ALA CB C 13 21.734 0.116 . 1 . . . . 12 ALA CB . 16629 1 153 . 1 1 12 12 ALA N N 15 124.187 0.122 . 1 . . . . 12 ALA N . 16629 1 154 . 1 1 13 13 ALA H H 1 8.284 0.007 . 1 . . . . 13 ALA H . 16629 1 155 . 1 1 13 13 ALA HA H 1 4.624 0.008 . 1 . . . . 13 ALA HA . 16629 1 156 . 1 1 13 13 ALA HB1 H 1 0.580 0.032 . . . . . . 13 ALA QB . 16629 1 157 . 1 1 13 13 ALA HB2 H 1 0.580 0.032 . . . . . . 13 ALA QB . 16629 1 158 . 1 1 13 13 ALA HB3 H 1 0.580 0.032 . . . . . . 13 ALA QB . 16629 1 159 . 1 1 13 13 ALA C C 13 174.834 1.052 . 1 . . . . 13 ALA C . 16629 1 160 . 1 1 13 13 ALA CA C 13 50.040 0.142 . 1 . . . . 13 ALA CA . 16629 1 161 . 1 1 13 13 ALA CB C 13 22.536 0.083 . 1 . . . . 13 ALA CB . 16629 1 162 . 1 1 13 13 ALA N N 15 123.289 0.153 . 1 . . . . 13 ALA N . 16629 1 163 . 1 1 14 14 LEU H H 1 7.538 0.008 . 1 . . . . 14 LEU H . 16629 1 164 . 1 1 14 14 LEU HA H 1 5.399 0.010 . 1 . . . . 14 LEU HA . 16629 1 165 . 1 1 14 14 LEU HB2 H 1 1.399 0.012 . 2 . . . . 14 LEU QB . 16629 1 166 . 1 1 14 14 LEU HB3 H 1 1.399 0.012 . 2 . . . . 14 LEU QB . 16629 1 167 . 1 1 14 14 LEU HD11 H 1 0.702 0.005 . . . . . . 14 LEU QD1 . 16629 1 168 . 1 1 14 14 LEU HD12 H 1 0.702 0.005 . . . . . . 14 LEU QD1 . 16629 1 169 . 1 1 14 14 LEU HD13 H 1 0.702 0.005 . . . . . . 14 LEU QD1 . 16629 1 170 . 1 1 14 14 LEU HD21 H 1 0.742 0.003 . . . . . . 14 LEU QD2 . 16629 1 171 . 1 1 14 14 LEU HD22 H 1 0.742 0.003 . . . . . . 14 LEU QD2 . 16629 1 172 . 1 1 14 14 LEU HD23 H 1 0.742 0.003 . . . . . . 14 LEU QD2 . 16629 1 173 . 1 1 14 14 LEU HG H 1 1.375 0.005 . 1 . . . . 14 LEU HG . 16629 1 174 . 1 1 14 14 LEU C C 13 177.245 0.030 . 1 . . . . 14 LEU C . 16629 1 175 . 1 1 14 14 LEU CA C 13 53.457 0.111 . 1 . . . . 14 LEU CA . 16629 1 176 . 1 1 14 14 LEU CB C 13 45.353 0.074 . 1 . . . . 14 LEU CB . 16629 1 177 . 1 1 14 14 LEU CD1 C 13 24.487 0.011 . 2 . . . . 14 LEU CD1 . 16629 1 178 . 1 1 14 14 LEU CD2 C 13 25.538 0.053 . 2 . . . . 14 LEU CD2 . 16629 1 179 . 1 1 14 14 LEU CG C 13 27.694 0.142 . 1 . . . . 14 LEU CG . 16629 1 180 . 1 1 14 14 LEU N N 15 120.842 0.117 . 1 . . . . 14 LEU N . 16629 1 181 . 1 1 15 15 ILE H H 1 9.405 0.005 . 1 . . . . 15 ILE H . 16629 1 182 . 1 1 15 15 ILE HA H 1 5.769 0.013 . 1 . . . . 15 ILE HA . 16629 1 183 . 1 1 15 15 ILE HB H 1 2.062 0.008 . 1 . . . . 15 ILE HB . 16629 1 184 . 1 1 15 15 ILE HD11 H 1 0.641 0.004 . . . . . . 15 ILE QD1 . 16629 1 185 . 1 1 15 15 ILE HD12 H 1 0.641 0.004 . . . . . . 15 ILE QD1 . 16629 1 186 . 1 1 15 15 ILE HD13 H 1 0.641 0.004 . . . . . . 15 ILE QD1 . 16629 1 187 . 1 1 15 15 ILE HG12 H 1 1.367 0.011 . 2 . . . . 15 ILE HG12 . 16629 1 188 . 1 1 15 15 ILE HG13 H 1 1.704 0.008 . 2 . . . . 15 ILE HG13 . 16629 1 189 . 1 1 15 15 ILE HG21 H 1 1.067 0.007 . . . . . . 15 ILE QG2 . 16629 1 190 . 1 1 15 15 ILE HG22 H 1 1.067 0.007 . . . . . . 15 ILE QG2 . 16629 1 191 . 1 1 15 15 ILE HG23 H 1 1.067 0.007 . . . . . . 15 ILE QG2 . 16629 1 192 . 1 1 15 15 ILE C C 13 175.040 0.011 . 1 . . . . 15 ILE C . 16629 1 193 . 1 1 15 15 ILE CA C 13 59.124 0.118 . 1 . . . . 15 ILE CA . 16629 1 194 . 1 1 15 15 ILE CB C 13 43.625 0.081 . 1 . . . . 15 ILE CB . 16629 1 195 . 1 1 15 15 ILE CD1 C 13 13.947 0.037 . 1 . . . . 15 ILE CD1 . 16629 1 196 . 1 1 15 15 ILE CG1 C 13 26.468 0.114 . 1 . . . . 15 ILE CG1 . 16629 1 197 . 1 1 15 15 ILE CG2 C 13 18.124 0.048 . 1 . . . . 15 ILE CG2 . 16629 1 198 . 1 1 15 15 ILE N N 15 116.078 0.117 . 1 . . . . 15 ILE N . 16629 1 199 . 1 1 16 16 GLU H H 1 8.822 0.004 . 1 . . . . 16 GLU H . 16629 1 200 . 1 1 16 16 GLU HA H 1 5.263 0.014 . 1 . . . . 16 GLU HA . 16629 1 201 . 1 1 16 16 GLU HB2 H 1 1.899 0.015 . 2 . . . . 16 GLU HB2 . 16629 1 202 . 1 1 16 16 GLU HB3 H 1 2.042 0.006 . 2 . . . . 16 GLU HB3 . 16629 1 203 . 1 1 16 16 GLU HG2 H 1 2.218 0.006 . 2 . . . . 16 GLU QG . 16629 1 204 . 1 1 16 16 GLU HG3 H 1 2.218 0.006 . 2 . . . . 16 GLU QG . 16629 1 205 . 1 1 16 16 GLU C C 13 175.595 0.016 . 1 . . . . 16 GLU C . 16629 1 206 . 1 1 16 16 GLU CA C 13 54.682 0.105 . 1 . . . . 16 GLU CA . 16629 1 207 . 1 1 16 16 GLU CB C 13 34.099 0.076 . 1 . . . . 16 GLU CB . 16629 1 208 . 1 1 16 16 GLU CG C 13 36.909 0.084 . 1 . . . . 16 GLU CG . 16629 1 209 . 1 1 16 16 GLU N N 15 123.419 0.119 . 1 . . . . 16 GLU N . 16629 1 210 . 1 1 17 17 TYR H H 1 9.649 0.006 . 1 . . . . 17 TYR H . 16629 1 211 . 1 1 17 17 TYR HA H 1 6.236 0.014 . 1 . . . . 17 TYR HA . 16629 1 212 . 1 1 17 17 TYR HB2 H 1 3.133 0.014 . 2 . . . . 17 TYR HB2 . 16629 1 213 . 1 1 17 17 TYR HB3 H 1 3.308 0.011 . 2 . . . . 17 TYR HB3 . 16629 1 214 . 1 1 17 17 TYR HD1 H 1 6.775 0.005 . 3 . . . . 17 TYR QD . 16629 1 215 . 1 1 17 17 TYR HD2 H 1 6.775 0.005 . 3 . . . . 17 TYR QD . 16629 1 216 . 1 1 17 17 TYR HE1 H 1 6.700 0.009 . 3 . . . . 17 TYR QE . 16629 1 217 . 1 1 17 17 TYR HE2 H 1 6.700 0.009 . 3 . . . . 17 TYR QE . 16629 1 218 . 1 1 17 17 TYR C C 13 172.451 0.004 . 1 . . . . 17 TYR C . 16629 1 219 . 1 1 17 17 TYR CA C 13 57.391 0.133 . 1 . . . . 17 TYR CA . 16629 1 220 . 1 1 17 17 TYR CB C 13 43.052 0.126 . 1 . . . . 17 TYR CB . 16629 1 221 . 1 1 17 17 TYR CD1 C 13 132.587 0.056 . 3 . . . . 17 TYR CD1 . 16629 1 222 . 1 1 17 17 TYR CE1 C 13 117.231 0.051 . 3 . . . . 17 TYR CE1 . 16629 1 223 . 1 1 17 17 TYR N N 15 118.169 0.124 . 1 . . . . 17 TYR N . 16629 1 224 . 1 1 18 18 GLU H H 1 9.380 0.004 . 1 . . . . 18 GLU H . 16629 1 225 . 1 1 18 18 GLU HA H 1 5.071 0.014 . 1 . . . . 18 GLU HA . 16629 1 226 . 1 1 18 18 GLU HB2 H 1 2.152 0.010 . 2 . . . . 18 GLU QB . 16629 1 227 . 1 1 18 18 GLU HB3 H 1 2.152 0.010 . 2 . . . . 18 GLU QB . 16629 1 228 . 1 1 18 18 GLU HG2 H 1 2.279 0.004 . 2 . . . . 18 GLU QG . 16629 1 229 . 1 1 18 18 GLU HG3 H 1 2.279 0.004 . 2 . . . . 18 GLU QG . 16629 1 230 . 1 1 18 18 GLU C C 13 174.165 0.003 . 1 . . . . 18 GLU C . 16629 1 231 . 1 1 18 18 GLU CA C 13 55.553 0.140 . 1 . . . . 18 GLU CA . 16629 1 232 . 1 1 18 18 GLU CB C 13 34.054 0.041 . 1 . . . . 18 GLU CB . 16629 1 233 . 1 1 18 18 GLU CG C 13 36.603 0.044 . 1 . . . . 18 GLU CG . 16629 1 234 . 1 1 18 18 GLU N N 15 116.448 0.152 . 1 . . . . 18 GLU N . 16629 1 235 . 1 1 19 19 VAL H H 1 8.603 0.004 . 1 . . . . 19 VAL H . 16629 1 236 . 1 1 19 19 VAL HA H 1 5.092 0.012 . 1 . . . . 19 VAL HA . 16629 1 237 . 1 1 19 19 VAL HB H 1 1.290 0.009 . 1 . . . . 19 VAL HB . 16629 1 238 . 1 1 19 19 VAL HG11 H 1 0.861 0.006 . . . . . . 19 VAL QG1 . 16629 1 239 . 1 1 19 19 VAL HG12 H 1 0.861 0.006 . . . . . . 19 VAL QG1 . 16629 1 240 . 1 1 19 19 VAL HG13 H 1 0.861 0.006 . . . . . . 19 VAL QG1 . 16629 1 241 . 1 1 19 19 VAL HG21 H 1 0.307 0.005 . . . . . . 19 VAL QG2 . 16629 1 242 . 1 1 19 19 VAL HG22 H 1 0.307 0.005 . . . . . . 19 VAL QG2 . 16629 1 243 . 1 1 19 19 VAL HG23 H 1 0.307 0.005 . . . . . . 19 VAL QG2 . 16629 1 244 . 1 1 19 19 VAL C C 13 172.373 0.002 . 1 . . . . 19 VAL C . 16629 1 245 . 1 1 19 19 VAL CA C 13 59.109 0.125 . 1 . . . . 19 VAL CA . 16629 1 246 . 1 1 19 19 VAL CB C 13 34.942 0.063 . 1 . . . . 19 VAL CB . 16629 1 247 . 1 1 19 19 VAL CG1 C 13 20.082 0.086 . 2 . . . . 19 VAL CG1 . 16629 1 248 . 1 1 19 19 VAL CG2 C 13 23.773 0.020 . 2 . . . . 19 VAL CG2 . 16629 1 249 . 1 1 19 19 VAL N N 15 121.035 0.098 . 1 . . . . 19 VAL N . 16629 1 250 . 1 1 20 20 ARG H H 1 8.436 0.012 . 1 . . . . 20 ARG H . 16629 1 251 . 1 1 20 20 ARG HA H 1 4.771 0.014 . 1 . . . . 20 ARG HA . 16629 1 252 . 1 1 20 20 ARG HB2 H 1 1.473 0.011 . 2 . . . . 20 ARG HB2 . 16629 1 253 . 1 1 20 20 ARG HB3 H 1 1.881 0.013 . 2 . . . . 20 ARG HB3 . 16629 1 254 . 1 1 20 20 ARG HD2 H 1 3.169 0.011 . 2 . . . . 20 ARG QD . 16629 1 255 . 1 1 20 20 ARG HD3 H 1 3.169 0.011 . 2 . . . . 20 ARG QD . 16629 1 256 . 1 1 20 20 ARG HE H 1 6.764 0.006 . 1 . . . . 20 ARG HE . 16629 1 257 . 1 1 20 20 ARG HG2 H 1 1.465 0.009 . 2 . . . . 20 ARG QG . 16629 1 258 . 1 1 20 20 ARG HG3 H 1 1.465 0.009 . 2 . . . . 20 ARG QG . 16629 1 259 . 1 1 20 20 ARG C C 13 174.845 0.007 . 1 . . . . 20 ARG C . 16629 1 260 . 1 1 20 20 ARG CA C 13 53.847 0.110 . 1 . . . . 20 ARG CA . 16629 1 261 . 1 1 20 20 ARG CB C 13 34.778 0.102 . 1 . . . . 20 ARG CB . 16629 1 262 . 1 1 20 20 ARG CD C 13 43.124 0.127 . 1 . . . . 20 ARG CD . 16629 1 263 . 1 1 20 20 ARG CG C 13 27.131 0.164 . 1 . . . . 20 ARG CG . 16629 1 264 . 1 1 20 20 ARG N N 15 125.965 0.174 . 1 . . . . 20 ARG N . 16629 1 265 . 1 1 20 20 ARG NE N 15 84.808 0.086 . 1 . . . . 20 ARG NE . 16629 1 266 . 1 1 21 21 GLU H H 1 9.616 0.004 . 1 . . . . 21 GLU H . 16629 1 267 . 1 1 21 21 GLU HA H 1 4.514 0.010 . 1 . . . . 21 GLU HA . 16629 1 268 . 1 1 21 21 GLU HB2 H 1 1.894 0.011 . 2 . . . . 21 GLU HB2 . 16629 1 269 . 1 1 21 21 GLU HB3 H 1 2.016 0.006 . 2 . . . . 21 GLU HB3 . 16629 1 270 . 1 1 21 21 GLU HG2 H 1 2.463 0.011 . 2 . . . . 21 GLU QG . 16629 1 271 . 1 1 21 21 GLU HG3 H 1 2.463 0.011 . 2 . . . . 21 GLU QG . 16629 1 272 . 1 1 21 21 GLU C C 13 176.258 0.002 . 1 . . . . 21 GLU C . 16629 1 273 . 1 1 21 21 GLU CA C 13 56.999 0.109 . 1 . . . . 21 GLU CA . 16629 1 274 . 1 1 21 21 GLU CB C 13 29.938 0.064 . 1 . . . . 21 GLU CB . 16629 1 275 . 1 1 21 21 GLU CG C 13 36.926 0.031 . 1 . . . . 21 GLU CG . 16629 1 276 . 1 1 21 21 GLU N N 15 123.412 0.131 . 1 . . . . 21 GLU N . 16629 1 277 . 1 1 22 22 GLN H H 1 8.531 0.007 . 1 . . . . 22 GLN H . 16629 1 278 . 1 1 22 22 GLN HA H 1 4.163 0.011 . 1 . . . . 22 GLN HA . 16629 1 279 . 1 1 22 22 GLN HB2 H 1 1.923 0.004 . 2 . . . . 22 GLN HB2 . 16629 1 280 . 1 1 22 22 GLN HB3 H 1 1.616 0.008 . 2 . . . . 22 GLN HB3 . 16629 1 281 . 1 1 22 22 GLN HE21 H 1 7.505 0.003 . 2 . . . . 22 GLN HE21 . 16629 1 282 . 1 1 22 22 GLN HE22 H 1 6.767 0.004 . 2 . . . . 22 GLN HE22 . 16629 1 283 . 1 1 22 22 GLN HG2 H 1 2.316 0.007 . 2 . . . . 22 GLN QG . 16629 1 284 . 1 1 22 22 GLN HG3 H 1 2.316 0.007 . 2 . . . . 22 GLN QG . 16629 1 285 . 1 1 22 22 GLN C C 13 177.098 0.006 . 1 . . . . 22 GLN C . 16629 1 286 . 1 1 22 22 GLN CA C 13 58.262 0.142 . 1 . . . . 22 GLN CA . 16629 1 287 . 1 1 22 22 GLN CB C 13 28.343 0.072 . 1 . . . . 22 GLN CB . 16629 1 288 . 1 1 22 22 GLN CD C 13 178.647 0.011 . 1 . . . . 22 GLN CD . 16629 1 289 . 1 1 22 22 GLN CG C 13 32.771 0.083 . 1 . . . . 22 GLN CG . 16629 1 290 . 1 1 22 22 GLN N N 15 126.007 0.176 . 1 . . . . 22 GLN N . 16629 1 291 . 1 1 22 22 GLN NE2 N 15 110.302 0.112 . 1 . . . . 22 GLN NE2 . 16629 1 292 . 1 1 23 23 GLY H H 1 8.811 0.005 . 1 . . . . 23 GLY H . 16629 1 293 . 1 1 23 23 GLY HA2 H 1 4.267 0.002 . 2 . . . . 23 GLY HA2 . 16629 1 294 . 1 1 23 23 GLY HA3 H 1 3.674 0.004 . 2 . . . . 23 GLY HA3 . 16629 1 295 . 1 1 23 23 GLY C C 13 173.493 0.028 . 1 . . . . 23 GLY C . 16629 1 296 . 1 1 23 23 GLY CA C 13 45.299 0.117 . 1 . . . . 23 GLY CA . 16629 1 297 . 1 1 23 23 GLY N N 15 116.182 0.124 . 1 . . . . 23 GLY N . 16629 1 298 . 1 1 24 24 SER H H 1 8.233 0.003 . 1 . . . . 24 SER H . 16629 1 299 . 1 1 24 24 SER HA H 1 4.832 0.011 . 1 . . . . 24 SER HA . 16629 1 300 . 1 1 24 24 SER HB2 H 1 4.081 0.010 . 2 . . . . 24 SER HB2 . 16629 1 301 . 1 1 24 24 SER HB3 H 1 3.783 0.018 . 2 . . . . 24 SER HB3 . 16629 1 302 . 1 1 24 24 SER C C 13 174.529 0.009 . 1 . . . . 24 SER C . 16629 1 303 . 1 1 24 24 SER CA C 13 55.773 0.121 . 1 . . . . 24 SER CA . 16629 1 304 . 1 1 24 24 SER CB C 13 64.537 0.142 . 1 . . . . 24 SER CB . 16629 1 305 . 1 1 24 24 SER N N 15 114.998 0.143 . 1 . . . . 24 SER N . 16629 1 306 . 1 1 25 25 SER H H 1 8.685 0.006 . 1 . . . . 25 SER H . 16629 1 307 . 1 1 25 25 SER HA H 1 4.498 0.009 . 1 . . . . 25 SER HA . 16629 1 308 . 1 1 25 25 SER HB2 H 1 3.970 0.003 . 2 . . . . 25 SER HB2 . 16629 1 309 . 1 1 25 25 SER HB3 H 1 3.841 0.000 . 2 . . . . 25 SER HB3 . 16629 1 310 . 1 1 25 25 SER C C 13 174.674 0.019 . 1 . . . . 25 SER C . 16629 1 311 . 1 1 25 25 SER CA C 13 58.861 0.160 . 1 . . . . 25 SER CA . 16629 1 312 . 1 1 25 25 SER CB C 13 64.178 0.070 . 1 . . . . 25 SER CB . 16629 1 313 . 1 1 25 25 SER N N 15 119.280 0.111 . 1 . . . . 25 SER N . 16629 1 314 . 1 1 26 26 ILE H H 1 7.884 0.004 . 1 . . . . 26 ILE H . 16629 1 315 . 1 1 26 26 ILE HA H 1 3.935 0.010 . 1 . . . . 26 ILE HA . 16629 1 316 . 1 1 26 26 ILE HB H 1 1.752 0.009 . 1 . . . . 26 ILE HB . 16629 1 317 . 1 1 26 26 ILE HD11 H 1 0.841 0.009 . . . . . . 26 ILE QD1 . 16629 1 318 . 1 1 26 26 ILE HD12 H 1 0.841 0.009 . . . . . . 26 ILE QD1 . 16629 1 319 . 1 1 26 26 ILE HD13 H 1 0.841 0.009 . . . . . . 26 ILE QD1 . 16629 1 320 . 1 1 26 26 ILE HG12 H 1 1.524 0.014 . 2 . . . . 26 ILE HG12 . 16629 1 321 . 1 1 26 26 ILE HG13 H 1 1.177 0.008 . 2 . . . . 26 ILE HG13 . 16629 1 322 . 1 1 26 26 ILE HG21 H 1 0.809 0.008 . . . . . . 26 ILE QG2 . 16629 1 323 . 1 1 26 26 ILE HG22 H 1 0.809 0.008 . . . . . . 26 ILE QG2 . 16629 1 324 . 1 1 26 26 ILE HG23 H 1 0.809 0.008 . . . . . . 26 ILE QG2 . 16629 1 325 . 1 1 26 26 ILE C C 13 175.805 0.001 . 1 . . . . 26 ILE C . 16629 1 326 . 1 1 26 26 ILE CA C 13 61.133 0.130 . 1 . . . . 26 ILE CA . 16629 1 327 . 1 1 26 26 ILE CB C 13 38.317 0.075 . 1 . . . . 26 ILE CB . 16629 1 328 . 1 1 26 26 ILE CD1 C 13 12.061 0.065 . 1 . . . . 26 ILE CD1 . 16629 1 329 . 1 1 26 26 ILE CG1 C 13 27.599 0.027 . 1 . . . . 26 ILE CG1 . 16629 1 330 . 1 1 26 26 ILE CG2 C 13 16.974 0.044 . 1 . . . . 26 ILE CG2 . 16629 1 331 . 1 1 26 26 ILE N N 15 123.598 0.141 . 1 . . . . 26 ILE N . 16629 1 332 . 1 1 27 27 VAL H H 1 8.708 0.004 . 1 . . . . 27 VAL H . 16629 1 333 . 1 1 27 27 VAL HA H 1 3.895 0.012 . 1 . . . . 27 VAL HA . 16629 1 334 . 1 1 27 27 VAL HB H 1 1.985 0.009 . 1 . . . . 27 VAL HB . 16629 1 335 . 1 1 27 27 VAL HG11 H 1 0.932 0.009 . . . . . . 27 VAL QQG . 16629 1 336 . 1 1 27 27 VAL HG12 H 1 0.932 0.009 . . . . . . 27 VAL QQG . 16629 1 337 . 1 1 27 27 VAL HG13 H 1 0.932 0.009 . . . . . . 27 VAL QQG . 16629 1 338 . 1 1 27 27 VAL HG21 H 1 0.932 0.009 . . . . . . 27 VAL QQG . 16629 1 339 . 1 1 27 27 VAL HG22 H 1 0.932 0.009 . . . . . . 27 VAL QQG . 16629 1 340 . 1 1 27 27 VAL HG23 H 1 0.932 0.009 . . . . . . 27 VAL QQG . 16629 1 341 . 1 1 27 27 VAL C C 13 176.664 0.021 . 1 . . . . 27 VAL C . 16629 1 342 . 1 1 27 27 VAL CA C 13 63.665 0.124 . 1 . . . . 27 VAL CA . 16629 1 343 . 1 1 27 27 VAL CB C 13 31.868 0.064 . 1 . . . . 27 VAL CB . 16629 1 344 . 1 1 27 27 VAL CG1 C 13 22.399 0.028 . 2 . . . . 27 VAL CG1 . 16629 1 345 . 1 1 27 27 VAL CG2 C 13 22.370 0.016 . 2 . . . . 27 VAL CG2 . 16629 1 346 . 1 1 27 27 VAL N N 15 129.394 0.129 . 1 . . . . 27 VAL N . 16629 1 347 . 1 1 28 28 LEU H H 1 9.182 0.004 . 1 . . . . 28 LEU H . 16629 1 348 . 1 1 28 28 LEU HA H 1 4.270 0.016 . 1 . . . . 28 LEU HA . 16629 1 349 . 1 1 28 28 LEU HB2 H 1 1.485 0.007 . 2 . . . . 28 LEU QB . 16629 1 350 . 1 1 28 28 LEU HB3 H 1 1.485 0.007 . 2 . . . . 28 LEU QB . 16629 1 351 . 1 1 28 28 LEU HD11 H 1 0.834 0.015 . . . . . . 28 LEU QQD . 16629 1 352 . 1 1 28 28 LEU HD12 H 1 0.834 0.015 . . . . . . 28 LEU QQD . 16629 1 353 . 1 1 28 28 LEU HD13 H 1 0.834 0.015 . . . . . . 28 LEU QQD . 16629 1 354 . 1 1 28 28 LEU HD21 H 1 0.834 0.015 . . . . . . 28 LEU QQD . 16629 1 355 . 1 1 28 28 LEU HD22 H 1 0.834 0.015 . . . . . . 28 LEU QQD . 16629 1 356 . 1 1 28 28 LEU HD23 H 1 0.834 0.015 . . . . . . 28 LEU QQD . 16629 1 357 . 1 1 28 28 LEU HG H 1 1.854 0.007 . 1 . . . . 28 LEU HG . 16629 1 358 . 1 1 28 28 LEU C C 13 176.955 0.018 . 1 . . . . 28 LEU C . 16629 1 359 . 1 1 28 28 LEU CA C 13 56.153 0.103 . 1 . . . . 28 LEU CA . 16629 1 360 . 1 1 28 28 LEU CB C 13 43.181 0.048 . 1 . . . . 28 LEU CB . 16629 1 361 . 1 1 28 28 LEU CD1 C 13 26.094 0.000 . 2 . . . . 28 LEU CD1 . 16629 1 362 . 1 1 28 28 LEU CD2 C 13 25.974 0.002 . 2 . . . . 28 LEU CD2 . 16629 1 363 . 1 1 28 28 LEU CG C 13 26.846 0.034 . 1 . . . . 28 LEU CG . 16629 1 364 . 1 1 28 28 LEU N N 15 129.985 0.110 . 1 . . . . 28 LEU N . 16629 1 365 . 1 1 29 29 ASP H H 1 7.378 0.011 . 1 . . . . 29 ASP H . 16629 1 366 . 1 1 29 29 ASP HA H 1 4.801 0.014 . 1 . . . . 29 ASP HA . 16629 1 367 . 1 1 29 29 ASP HB2 H 1 2.930 0.013 . 2 . . . . 29 ASP HB2 . 16629 1 368 . 1 1 29 29 ASP HB3 H 1 2.401 0.016 . 2 . . . . 29 ASP HB3 . 16629 1 369 . 1 1 29 29 ASP C C 13 173.798 0.000 . 1 . . . . 29 ASP C . 16629 1 370 . 1 1 29 29 ASP CA C 13 53.814 0.136 . 1 . . . . 29 ASP CA . 16629 1 371 . 1 1 29 29 ASP CB C 13 43.558 0.089 . 1 . . . . 29 ASP CB . 16629 1 372 . 1 1 29 29 ASP N N 15 114.925 0.175 . 1 . . . . 29 ASP N . 16629 1 373 . 1 1 30 30 SER H H 1 8.037 0.008 . 1 . . . . 30 SER H . 16629 1 374 . 1 1 30 30 SER HA H 1 4.892 0.009 . 1 . . . . 30 SER HA . 16629 1 375 . 1 1 30 30 SER HB2 H 1 3.567 0.006 . 2 . . . . 30 SER HB2 . 16629 1 376 . 1 1 30 30 SER HB3 H 1 4.177 0.008 . 2 . . . . 30 SER HB3 . 16629 1 377 . 1 1 30 30 SER C C 13 174.106 0.004 . 1 . . . . 30 SER C . 16629 1 378 . 1 1 30 30 SER CA C 13 56.555 0.114 . 1 . . . . 30 SER CA . 16629 1 379 . 1 1 30 30 SER CB C 13 64.987 0.137 . 1 . . . . 30 SER CB . 16629 1 380 . 1 1 30 30 SER N N 15 116.584 0.155 . 1 . . . . 30 SER N . 16629 1 381 . 1 1 31 31 ASN H H 1 8.292 0.008 . 1 . . . . 31 ASN H . 16629 1 382 . 1 1 31 31 ASN HA H 1 4.716 0.018 . 1 . . . . 31 ASN HA . 16629 1 383 . 1 1 31 31 ASN HB2 H 1 3.454 0.014 . 2 . . . . 31 ASN HB2 . 16629 1 384 . 1 1 31 31 ASN HB3 H 1 2.605 0.012 . 2 . . . . 31 ASN HB3 . 16629 1 385 . 1 1 31 31 ASN HD21 H 1 7.632 0.004 . 2 . . . . 31 ASN HD21 . 16629 1 386 . 1 1 31 31 ASN HD22 H 1 6.636 0.013 . 2 . . . . 31 ASN HD22 . 16629 1 387 . 1 1 31 31 ASN C C 13 175.689 0.037 . 1 . . . . 31 ASN C . 16629 1 388 . 1 1 31 31 ASN CA C 13 51.879 0.135 . 1 . . . . 31 ASN CA . 16629 1 389 . 1 1 31 31 ASN CB C 13 38.565 0.122 . 1 . . . . 31 ASN CB . 16629 1 390 . 1 1 31 31 ASN N N 15 123.555 0.175 . 1 . . . . 31 ASN N . 16629 1 391 . 1 1 31 31 ASN ND2 N 15 108.251 0.119 . 1 . . . . 31 ASN ND2 . 16629 1 392 . 1 1 32 32 ILE H H 1 7.926 0.009 . 1 . . . . 32 ILE H . 16629 1 393 . 1 1 32 32 ILE HA H 1 3.879 0.013 . 1 . . . . 32 ILE HA . 16629 1 394 . 1 1 32 32 ILE HB H 1 1.655 0.006 . 1 . . . . 32 ILE HB . 16629 1 395 . 1 1 32 32 ILE HD11 H 1 0.811 0.005 . . . . . . 32 ILE QD1 . 16629 1 396 . 1 1 32 32 ILE HD12 H 1 0.811 0.005 . . . . . . 32 ILE QD1 . 16629 1 397 . 1 1 32 32 ILE HD13 H 1 0.811 0.005 . . . . . . 32 ILE QD1 . 16629 1 398 . 1 1 32 32 ILE HG12 H 1 1.316 0.008 . . . . . . 32 ILE QG1 . 16629 1 399 . 1 1 32 32 ILE HG13 H 1 1.316 0.008 . . . . . . 32 ILE QG1 . 16629 1 400 . 1 1 32 32 ILE HG21 H 1 1.017 0.005 . . . . . . 32 ILE QG2 . 16629 1 401 . 1 1 32 32 ILE HG22 H 1 1.017 0.005 . . . . . . 32 ILE QG2 . 16629 1 402 . 1 1 32 32 ILE HG23 H 1 1.017 0.005 . . . . . . 32 ILE QG2 . 16629 1 403 . 1 1 32 32 ILE C C 13 178.353 0.012 . 1 . . . . 32 ILE C . 16629 1 404 . 1 1 32 32 ILE CA C 13 64.060 0.096 . 1 . . . . 32 ILE CA . 16629 1 405 . 1 1 32 32 ILE CB C 13 37.370 0.089 . 1 . . . . 32 ILE CB . 16629 1 406 . 1 1 32 32 ILE CD1 C 13 13.700 0.028 . 1 . . . . 32 ILE CD1 . 16629 1 407 . 1 1 32 32 ILE CG1 C 13 28.614 0.035 . 1 . . . . 32 ILE CG1 . 16629 1 408 . 1 1 32 32 ILE CG2 C 13 17.083 0.022 . 1 . . . . 32 ILE CG2 . 16629 1 409 . 1 1 32 32 ILE N N 15 122.026 0.126 . 1 . . . . 32 ILE N . 16629 1 410 . 1 1 33 33 SER H H 1 9.124 0.009 . 1 . . . . 33 SER H . 16629 1 411 . 1 1 33 33 SER HA H 1 4.264 0.011 . 1 . . . . 33 SER HA . 16629 1 412 . 1 1 33 33 SER HB2 H 1 4.108 0.008 . 2 . . . . 33 SER QB . 16629 1 413 . 1 1 33 33 SER HB3 H 1 4.108 0.008 . 2 . . . . 33 SER QB . 16629 1 414 . 1 1 33 33 SER C C 13 173.512 0.000 . 1 . . . . 33 SER C . 16629 1 415 . 1 1 33 33 SER CA C 13 60.360 0.095 . 1 . . . . 33 SER CA . 16629 1 416 . 1 1 33 33 SER CB C 13 63.039 0.069 . 1 . . . . 33 SER CB . 16629 1 417 . 1 1 33 33 SER N N 15 120.447 0.157 . 1 . . . . 33 SER N . 16629 1 418 . 1 1 34 34 LYS H H 1 7.919 0.003 . 1 . . . . 34 LYS H . 16629 1 419 . 1 1 34 34 LYS HA H 1 4.665 0.012 . 1 . . . . 34 LYS HA . 16629 1 420 . 1 1 34 34 LYS HB2 H 1 2.078 0.010 . 2 . . . . 34 LYS HB2 . 16629 1 421 . 1 1 34 34 LYS HB3 H 1 1.565 0.011 . 2 . . . . 34 LYS HB3 . 16629 1 422 . 1 1 34 34 LYS HD2 H 1 1.726 0.006 . 2 . . . . 34 LYS QD . 16629 1 423 . 1 1 34 34 LYS HD3 H 1 1.726 0.006 . 2 . . . . 34 LYS QD . 16629 1 424 . 1 1 34 34 LYS HE2 H 1 3.030 0.006 . 2 . . . . 34 LYS QE . 16629 1 425 . 1 1 34 34 LYS HE3 H 1 3.030 0.006 . 2 . . . . 34 LYS QE . 16629 1 426 . 1 1 34 34 LYS HG2 H 1 1.306 0.006 . 2 . . . . 34 LYS HG2 . 16629 1 427 . 1 1 34 34 LYS HG3 H 1 1.381 0.003 . 2 . . . . 34 LYS HG3 . 16629 1 428 . 1 1 34 34 LYS C C 13 175.084 0.008 . 1 . . . . 34 LYS C . 16629 1 429 . 1 1 34 34 LYS CA C 13 54.669 0.071 . 1 . . . . 34 LYS CA . 16629 1 430 . 1 1 34 34 LYS CB C 13 32.820 0.069 . 1 . . . . 34 LYS CB . 16629 1 431 . 1 1 34 34 LYS CD C 13 29.081 0.083 . 1 . . . . 34 LYS CD . 16629 1 432 . 1 1 34 34 LYS CE C 13 41.901 0.143 . 1 . . . . 34 LYS CE . 16629 1 433 . 1 1 34 34 LYS CG C 13 24.622 0.075 . 1 . . . . 34 LYS CG . 16629 1 434 . 1 1 34 34 LYS N N 15 122.058 0.226 . 1 . . . . 34 LYS N . 16629 1 435 . 1 1 35 35 GLU H H 1 7.990 0.008 . 1 . . . . 35 GLU H . 16629 1 436 . 1 1 35 35 GLU HA H 1 4.666 0.013 . 1 . . . . 35 GLU HA . 16629 1 437 . 1 1 35 35 GLU HB2 H 1 2.056 0.010 . 2 . . . . 35 GLU QB . 16629 1 438 . 1 1 35 35 GLU HB3 H 1 2.056 0.010 . 2 . . . . 35 GLU QB . 16629 1 439 . 1 1 35 35 GLU HG2 H 1 2.388 0.010 . 2 . . . . 35 GLU QG . 16629 1 440 . 1 1 35 35 GLU HG3 H 1 2.388 0.010 . 2 . . . . 35 GLU QG . 16629 1 441 . 1 1 35 35 GLU C C 13 174.281 0.000 . 1 . . . . 35 GLU C . 16629 1 442 . 1 1 35 35 GLU CA C 13 54.868 0.174 . 1 . . . . 35 GLU CA . 16629 1 443 . 1 1 35 35 GLU CB C 13 29.630 0.067 . 1 . . . . 35 GLU CB . 16629 1 444 . 1 1 35 35 GLU CG C 13 35.926 0.026 . 1 . . . . 35 GLU CG . 16629 1 445 . 1 1 35 35 GLU N N 15 121.588 0.196 . 1 . . . . 35 GLU N . 16629 1 446 . 1 1 36 36 PRO HA H 1 4.404 0.006 . 1 . . . . 36 PRO HA . 16629 1 447 . 1 1 36 36 PRO HB2 H 1 2.047 0.010 . 2 . . . . 36 PRO HB2 . 16629 1 448 . 1 1 36 36 PRO HB3 H 1 1.688 0.009 . 2 . . . . 36 PRO HB3 . 16629 1 449 . 1 1 36 36 PRO HD2 H 1 3.684 0.008 . 2 . . . . 36 PRO HD2 . 16629 1 450 . 1 1 36 36 PRO HD3 H 1 3.882 0.008 . 2 . . . . 36 PRO HD3 . 16629 1 451 . 1 1 36 36 PRO HG2 H 1 1.962 0.006 . 2 . . . . 36 PRO QG . 16629 1 452 . 1 1 36 36 PRO HG3 H 1 1.962 0.006 . 2 . . . . 36 PRO QG . 16629 1 453 . 1 1 36 36 PRO C C 13 175.248 0.001 . 1 . . . . 36 PRO C . 16629 1 454 . 1 1 36 36 PRO CA C 13 62.967 0.097 . 1 . . . . 36 PRO CA . 16629 1 455 . 1 1 36 36 PRO CB C 13 32.268 0.050 . 1 . . . . 36 PRO CB . 16629 1 456 . 1 1 36 36 PRO CD C 13 50.607 0.101 . 1 . . . . 36 PRO CD . 16629 1 457 . 1 1 36 36 PRO CG C 13 27.352 0.040 . 1 . . . . 36 PRO CG . 16629 1 458 . 1 1 37 37 LEU H H 1 8.536 0.004 . 1 . . . . 37 LEU H . 16629 1 459 . 1 1 37 37 LEU HA H 1 4.646 0.010 . 1 . . . . 37 LEU HA . 16629 1 460 . 1 1 37 37 LEU HB2 H 1 1.975 0.007 . 2 . . . . 37 LEU HB2 . 16629 1 461 . 1 1 37 37 LEU HB3 H 1 1.764 0.012 . 2 . . . . 37 LEU HB3 . 16629 1 462 . 1 1 37 37 LEU HD11 H 1 0.830 0.008 . . . . . . 37 LEU QD1 . 16629 1 463 . 1 1 37 37 LEU HD12 H 1 0.830 0.008 . . . . . . 37 LEU QD1 . 16629 1 464 . 1 1 37 37 LEU HD13 H 1 0.830 0.008 . . . . . . 37 LEU QD1 . 16629 1 465 . 1 1 37 37 LEU HD21 H 1 1.076 0.009 . . . . . . 37 LEU QD2 . 16629 1 466 . 1 1 37 37 LEU HD22 H 1 1.076 0.009 . . . . . . 37 LEU QD2 . 16629 1 467 . 1 1 37 37 LEU HD23 H 1 1.076 0.009 . . . . . . 37 LEU QD2 . 16629 1 468 . 1 1 37 37 LEU HG H 1 1.573 0.009 . 1 . . . . 37 LEU HG . 16629 1 469 . 1 1 37 37 LEU C C 13 174.556 0.012 . 1 . . . . 37 LEU C . 16629 1 470 . 1 1 37 37 LEU CA C 13 54.570 0.068 . 1 . . . . 37 LEU CA . 16629 1 471 . 1 1 37 37 LEU CB C 13 43.594 0.097 . 1 . . . . 37 LEU CB . 16629 1 472 . 1 1 37 37 LEU CD1 C 13 25.817 0.140 . 2 . . . . 37 LEU CD1 . 16629 1 473 . 1 1 37 37 LEU CD2 C 13 23.838 0.018 . 2 . . . . 37 LEU CD2 . 16629 1 474 . 1 1 37 37 LEU CG C 13 27.925 0.044 . 1 . . . . 37 LEU CG . 16629 1 475 . 1 1 37 37 LEU N N 15 123.981 0.105 . 1 . . . . 37 LEU N . 16629 1 476 . 1 1 38 38 GLU H H 1 8.804 0.007 . 1 . . . . 38 GLU H . 16629 1 477 . 1 1 38 38 GLU HA H 1 5.728 0.011 . 1 . . . . 38 GLU HA . 16629 1 478 . 1 1 38 38 GLU HB2 H 1 1.755 0.002 . 2 . . . . 38 GLU HB2 . 16629 1 479 . 1 1 38 38 GLU HB3 H 1 2.013 0.013 . 2 . . . . 38 GLU HB3 . 16629 1 480 . 1 1 38 38 GLU HG2 H 1 1.865 0.001 . 2 . . . . 38 GLU HG2 . 16629 1 481 . 1 1 38 38 GLU HG3 H 1 1.964 0.009 . 2 . . . . 38 GLU HG3 . 16629 1 482 . 1 1 38 38 GLU C C 13 175.505 0.000 . 1 . . . . 38 GLU C . 16629 1 483 . 1 1 38 38 GLU CA C 13 53.963 0.058 . 1 . . . . 38 GLU CA . 16629 1 484 . 1 1 38 38 GLU CB C 13 32.316 0.039 . 1 . . . . 38 GLU CB . 16629 1 485 . 1 1 38 38 GLU CG C 13 38.203 0.048 . 1 . . . . 38 GLU CG . 16629 1 486 . 1 1 38 38 GLU N N 15 129.109 0.175 . 1 . . . . 38 GLU N . 16629 1 487 . 1 1 39 39 PHE HD1 H 1 6.879 0.000 . 3 . . . . 39 PHE QD . 16629 1 488 . 1 1 39 39 PHE HD2 H 1 6.879 0.000 . 3 . . . . 39 PHE QD . 16629 1 489 . 1 1 39 39 PHE HE1 H 1 6.993 0.000 . 3 . . . . 39 PHE QE . 16629 1 490 . 1 1 39 39 PHE HE2 H 1 6.993 0.000 . 3 . . . . 39 PHE QE . 16629 1 491 . 1 1 39 39 PHE CB C 13 42.109 0.033 . 1 . . . . 39 PHE CB . 16629 1 492 . 1 1 40 40 ILE HA H 1 4.332 0.012 . 1 . . . . 40 ILE HA . 16629 1 493 . 1 1 40 40 ILE HB H 1 1.849 0.007 . 1 . . . . 40 ILE HB . 16629 1 494 . 1 1 40 40 ILE HD11 H 1 0.802 0.004 . . . . . . 40 ILE QD1 . 16629 1 495 . 1 1 40 40 ILE HD12 H 1 0.802 0.004 . . . . . . 40 ILE QD1 . 16629 1 496 . 1 1 40 40 ILE HD13 H 1 0.802 0.004 . . . . . . 40 ILE QD1 . 16629 1 497 . 1 1 40 40 ILE HG12 H 1 1.642 0.001 . 2 . . . . 40 ILE HG12 . 16629 1 498 . 1 1 40 40 ILE HG13 H 1 1.153 0.004 . 2 . . . . 40 ILE HG13 . 16629 1 499 . 1 1 40 40 ILE HG21 H 1 0.940 0.015 . . . . . . 40 ILE QG2 . 16629 1 500 . 1 1 40 40 ILE HG22 H 1 0.940 0.015 . . . . . . 40 ILE QG2 . 16629 1 501 . 1 1 40 40 ILE HG23 H 1 0.940 0.015 . . . . . . 40 ILE QG2 . 16629 1 502 . 1 1 40 40 ILE C C 13 177.500 0.003 . 1 . . . . 40 ILE C . 16629 1 503 . 1 1 40 40 ILE CA C 13 60.227 0.086 . 1 . . . . 40 ILE CA . 16629 1 504 . 1 1 40 40 ILE CB C 13 36.673 0.051 . 1 . . . . 40 ILE CB . 16629 1 505 . 1 1 40 40 ILE CD1 C 13 11.850 0.026 . 1 . . . . 40 ILE CD1 . 16629 1 506 . 1 1 40 40 ILE CG1 C 13 28.100 0.000 . 1 . . . . 40 ILE CG1 . 16629 1 507 . 1 1 40 40 ILE CG2 C 13 18.050 0.000 . 1 . . . . 40 ILE CG2 . 16629 1 508 . 1 1 41 41 ILE H H 1 8.837 0.003 . 1 . . . . 41 ILE H . 16629 1 509 . 1 1 41 41 ILE HA H 1 3.998 0.012 . 1 . . . . 41 ILE HA . 16629 1 510 . 1 1 41 41 ILE HB H 1 2.011 0.011 . 1 . . . . 41 ILE HB . 16629 1 511 . 1 1 41 41 ILE HD11 H 1 0.779 0.005 . . . . . . 41 ILE QD1 . 16629 1 512 . 1 1 41 41 ILE HD12 H 1 0.779 0.005 . . . . . . 41 ILE QD1 . 16629 1 513 . 1 1 41 41 ILE HD13 H 1 0.779 0.005 . . . . . . 41 ILE QD1 . 16629 1 514 . 1 1 41 41 ILE HG12 H 1 1.282 0.010 . 2 . . . . 41 ILE HG12 . 16629 1 515 . 1 1 41 41 ILE HG13 H 1 1.466 0.003 . 2 . . . . 41 ILE HG13 . 16629 1 516 . 1 1 41 41 ILE HG21 H 1 1.020 0.007 . . . . . . 41 ILE QG2 . 16629 1 517 . 1 1 41 41 ILE HG22 H 1 1.020 0.007 . . . . . . 41 ILE QG2 . 16629 1 518 . 1 1 41 41 ILE HG23 H 1 1.020 0.007 . . . . . . 41 ILE QG2 . 16629 1 519 . 1 1 41 41 ILE C C 13 178.001 0.013 . 1 . . . . 41 ILE C . 16629 1 520 . 1 1 41 41 ILE CA C 13 62.103 0.095 . 1 . . . . 41 ILE CA . 16629 1 521 . 1 1 41 41 ILE CB C 13 37.568 0.059 . 1 . . . . 41 ILE CB . 16629 1 522 . 1 1 41 41 ILE CD1 C 13 12.821 0.010 . 1 . . . . 41 ILE CD1 . 16629 1 523 . 1 1 41 41 ILE CG1 C 13 28.946 0.061 . 1 . . . . 41 ILE CG1 . 16629 1 524 . 1 1 41 41 ILE CG2 C 13 17.838 0.049 . 1 . . . . 41 ILE CG2 . 16629 1 525 . 1 1 41 41 ILE N N 15 133.601 0.124 . 1 . . . . 41 ILE N . 16629 1 526 . 1 1 42 42 GLY H H 1 10.392 0.003 . 1 . . . . 42 GLY H . 16629 1 527 . 1 1 42 42 GLY HA2 H 1 4.226 0.007 . 2 . . . . 42 GLY HA2 . 16629 1 528 . 1 1 42 42 GLY HA3 H 1 4.013 0.012 . 2 . . . . 42 GLY HA3 . 16629 1 529 . 1 1 42 42 GLY C C 13 176.211 0.022 . 1 . . . . 42 GLY C . 16629 1 530 . 1 1 42 42 GLY CA C 13 46.117 0.156 . 1 . . . . 42 GLY CA . 16629 1 531 . 1 1 42 42 GLY N N 15 116.751 0.108 . 1 . . . . 42 GLY N . 16629 1 532 . 1 1 43 43 THR H H 1 7.912 0.004 . 1 . . . . 43 THR H . 16629 1 533 . 1 1 43 43 THR HA H 1 4.624 0.010 . 1 . . . . 43 THR HA . 16629 1 534 . 1 1 43 43 THR HB H 1 4.535 0.011 . 1 . . . . 43 THR HB . 16629 1 535 . 1 1 43 43 THR HG21 H 1 1.114 0.012 . . . . . . 43 THR QG2 . 16629 1 536 . 1 1 43 43 THR HG22 H 1 1.114 0.012 . . . . . . 43 THR QG2 . 16629 1 537 . 1 1 43 43 THR HG23 H 1 1.114 0.012 . . . . . . 43 THR QG2 . 16629 1 538 . 1 1 43 43 THR C C 13 174.508 0.007 . 1 . . . . 43 THR C . 16629 1 539 . 1 1 43 43 THR CA C 13 60.809 0.167 . 1 . . . . 43 THR CA . 16629 1 540 . 1 1 43 43 THR CB C 13 69.847 0.120 . 1 . . . . 43 THR CB . 16629 1 541 . 1 1 43 43 THR CG2 C 13 21.882 0.140 . 1 . . . . 43 THR CG2 . 16629 1 542 . 1 1 43 43 THR N N 15 108.373 0.119 . 1 . . . . 43 THR N . 16629 1 543 . 1 1 44 44 ASN H H 1 9.587 0.007 . 1 . . . . 44 ASN H . 16629 1 544 . 1 1 44 44 ASN HA H 1 4.579 0.012 . 1 . . . . 44 ASN HA . 16629 1 545 . 1 1 44 44 ASN HB2 H 1 3.023 0.012 . 2 . . . . 44 ASN HB2 . 16629 1 546 . 1 1 44 44 ASN HB3 H 1 2.851 0.008 . 2 . . . . 44 ASN HB3 . 16629 1 547 . 1 1 44 44 ASN HD21 H 1 7.546 0.006 . 2 . . . . 44 ASN HD21 . 16629 1 548 . 1 1 44 44 ASN HD22 H 1 6.815 0.007 . 2 . . . . 44 ASN HD22 . 16629 1 549 . 1 1 44 44 ASN C C 13 175.501 0.013 . 1 . . . . 44 ASN C . 16629 1 550 . 1 1 44 44 ASN CA C 13 54.445 0.090 . 1 . . . . 44 ASN CA . 16629 1 551 . 1 1 44 44 ASN CB C 13 37.341 0.132 . 1 . . . . 44 ASN CB . 16629 1 552 . 1 1 44 44 ASN CG C 13 178.653 0.008 . 1 . . . . 44 ASN CG . 16629 1 553 . 1 1 44 44 ASN N N 15 121.512 0.153 . 1 . . . . 44 ASN N . 16629 1 554 . 1 1 44 44 ASN ND2 N 15 112.813 0.159 . 1 . . . . 44 ASN ND2 . 16629 1 555 . 1 1 45 45 GLN H H 1 9.146 0.006 . 1 . . . . 45 GLN H . 16629 1 556 . 1 1 45 45 GLN HA H 1 4.096 0.012 . 1 . . . . 45 GLN HA . 16629 1 557 . 1 1 45 45 GLN HB2 H 1 2.208 0.015 . 2 . . . . 45 GLN HB2 . 16629 1 558 . 1 1 45 45 GLN HB3 H 1 2.038 0.012 . 2 . . . . 45 GLN HB3 . 16629 1 559 . 1 1 45 45 GLN HE21 H 1 7.625 0.003 . 2 . . . . 45 GLN HE21 . 16629 1 560 . 1 1 45 45 GLN HE22 H 1 6.785 0.005 . 2 . . . . 45 GLN HE22 . 16629 1 561 . 1 1 45 45 GLN HG2 H 1 2.512 0.011 . 2 . . . . 45 GLN HG2 . 16629 1 562 . 1 1 45 45 GLN HG3 H 1 2.737 0.008 . 2 . . . . 45 GLN HG3 . 16629 1 563 . 1 1 45 45 GLN C C 13 176.426 0.012 . 1 . . . . 45 GLN C . 16629 1 564 . 1 1 45 45 GLN CA C 13 58.055 0.087 . 1 . . . . 45 GLN CA . 16629 1 565 . 1 1 45 45 GLN CB C 13 30.207 0.105 . 1 . . . . 45 GLN CB . 16629 1 566 . 1 1 45 45 GLN CD C 13 180.454 0.010 . 1 . . . . 45 GLN CD . 16629 1 567 . 1 1 45 45 GLN CG C 13 34.543 0.055 . 1 . . . . 45 GLN CG . 16629 1 568 . 1 1 45 45 GLN N N 15 118.289 0.150 . 1 . . . . 45 GLN N . 16629 1 569 . 1 1 45 45 GLN NE2 N 15 111.532 0.149 . 1 . . . . 45 GLN NE2 . 16629 1 570 . 1 1 46 46 ILE H H 1 6.930 0.004 . 1 . . . . 46 ILE H . 16629 1 571 . 1 1 46 46 ILE HA H 1 4.444 0.011 . 1 . . . . 46 ILE HA . 16629 1 572 . 1 1 46 46 ILE HB H 1 1.248 0.007 . 1 . . . . 46 ILE HB . 16629 1 573 . 1 1 46 46 ILE HD11 H 1 -0.364 0.008 . . . . . . 46 ILE QD1 . 16629 1 574 . 1 1 46 46 ILE HD12 H 1 -0.364 0.008 . . . . . . 46 ILE QD1 . 16629 1 575 . 1 1 46 46 ILE HD13 H 1 -0.364 0.008 . . . . . . 46 ILE QD1 . 16629 1 576 . 1 1 46 46 ILE HG12 H 1 0.106 0.011 . 2 . . . . 46 ILE HG12 . 16629 1 577 . 1 1 46 46 ILE HG13 H 1 0.848 0.008 . 2 . . . . 46 ILE HG13 . 16629 1 578 . 1 1 46 46 ILE HG21 H 1 0.199 0.003 . . . . . . 46 ILE QG2 . 16629 1 579 . 1 1 46 46 ILE HG22 H 1 0.199 0.003 . . . . . . 46 ILE QG2 . 16629 1 580 . 1 1 46 46 ILE HG23 H 1 0.199 0.003 . . . . . . 46 ILE QG2 . 16629 1 581 . 1 1 46 46 ILE C C 13 175.275 0.006 . 1 . . . . 46 ILE C . 16629 1 582 . 1 1 46 46 ILE CA C 13 57.902 0.132 . 1 . . . . 46 ILE CA . 16629 1 583 . 1 1 46 46 ILE CB C 13 42.245 0.048 . 1 . . . . 46 ILE CB . 16629 1 584 . 1 1 46 46 ILE CD1 C 13 13.780 0.018 . 1 . . . . 46 ILE CD1 . 16629 1 585 . 1 1 46 46 ILE CG1 C 13 25.382 0.029 . 1 . . . . 46 ILE CG1 . 16629 1 586 . 1 1 46 46 ILE CG2 C 13 17.044 0.019 . 1 . . . . 46 ILE CG2 . 16629 1 587 . 1 1 46 46 ILE N N 15 109.950 0.116 . 1 . . . . 46 ILE N . 16629 1 588 . 1 1 47 47 ILE H H 1 7.366 0.007 . 1 . . . . 47 ILE H . 16629 1 589 . 1 1 47 47 ILE HA H 1 3.794 0.010 . 1 . . . . 47 ILE HA . 16629 1 590 . 1 1 47 47 ILE HB H 1 1.876 0.014 . 1 . . . . 47 ILE HB . 16629 1 591 . 1 1 47 47 ILE HD11 H 1 0.592 0.006 . . . . . . 47 ILE QD1 . 16629 1 592 . 1 1 47 47 ILE HD12 H 1 0.592 0.006 . . . . . . 47 ILE QD1 . 16629 1 593 . 1 1 47 47 ILE HD13 H 1 0.592 0.006 . . . . . . 47 ILE QD1 . 16629 1 594 . 1 1 47 47 ILE HG12 H 1 0.829 0.006 . 2 . . . . 47 ILE HG12 . 16629 1 595 . 1 1 47 47 ILE HG13 H 1 1.150 0.006 . 2 . . . . 47 ILE HG13 . 16629 1 596 . 1 1 47 47 ILE HG21 H 1 0.033 0.007 . . . . . . 47 ILE QG2 . 16629 1 597 . 1 1 47 47 ILE HG22 H 1 0.033 0.007 . . . . . . 47 ILE QG2 . 16629 1 598 . 1 1 47 47 ILE HG23 H 1 0.033 0.007 . . . . . . 47 ILE QG2 . 16629 1 599 . 1 1 47 47 ILE C C 13 177.263 0.036 . 1 . . . . 47 ILE C . 16629 1 600 . 1 1 47 47 ILE CA C 13 62.308 0.137 . 1 . . . . 47 ILE CA . 16629 1 601 . 1 1 47 47 ILE CB C 13 37.936 0.083 . 1 . . . . 47 ILE CB . 16629 1 602 . 1 1 47 47 ILE CD1 C 13 15.035 0.022 . 1 . . . . 47 ILE CD1 . 16629 1 603 . 1 1 47 47 ILE CG1 C 13 25.430 0.013 . 1 . . . . 47 ILE CG1 . 16629 1 604 . 1 1 47 47 ILE CG2 C 13 18.013 0.017 . 1 . . . . 47 ILE CG2 . 16629 1 605 . 1 1 47 47 ILE N N 15 115.035 0.159 . 1 . . . . 47 ILE N . 16629 1 606 . 1 1 48 48 ALA H H 1 8.631 0.006 . 1 . . . . 48 ALA H . 16629 1 607 . 1 1 48 48 ALA HA H 1 4.084 0.008 . 1 . . . . 48 ALA HA . 16629 1 608 . 1 1 48 48 ALA HB1 H 1 1.380 0.012 . . . . . . 48 ALA QB . 16629 1 609 . 1 1 48 48 ALA HB2 H 1 1.380 0.012 . . . . . . 48 ALA QB . 16629 1 610 . 1 1 48 48 ALA HB3 H 1 1.380 0.012 . . . . . . 48 ALA QB . 16629 1 611 . 1 1 48 48 ALA C C 13 181.550 0.016 . 1 . . . . 48 ALA C . 16629 1 612 . 1 1 48 48 ALA CA C 13 55.453 0.201 . 1 . . . . 48 ALA CA . 16629 1 613 . 1 1 48 48 ALA CB C 13 18.844 0.222 . 1 . . . . 48 ALA CB . 16629 1 614 . 1 1 48 48 ALA N N 15 127.160 0.109 . 1 . . . . 48 ALA N . 16629 1 615 . 1 1 49 49 GLY H H 1 9.462 0.003 . 1 . . . . 49 GLY H . 16629 1 616 . 1 1 49 49 GLY HA2 H 1 3.563 0.011 . 2 . . . . 49 GLY HA2 . 16629 1 617 . 1 1 49 49 GLY HA3 H 1 3.783 0.012 . 2 . . . . 49 GLY HA3 . 16629 1 618 . 1 1 49 49 GLY C C 13 175.772 0.016 . 1 . . . . 49 GLY C . 16629 1 619 . 1 1 49 49 GLY CA C 13 46.799 0.200 . 1 . . . . 49 GLY CA . 16629 1 620 . 1 1 49 49 GLY N N 15 102.053 0.131 . 1 . . . . 49 GLY N . 16629 1 621 . 1 1 50 50 LEU H H 1 6.786 0.004 . 1 . . . . 50 LEU H . 16629 1 622 . 1 1 50 50 LEU HA H 1 3.761 0.013 . 1 . . . . 50 LEU HA . 16629 1 623 . 1 1 50 50 LEU HB2 H 1 1.270 0.011 . 2 . . . . 50 LEU HB2 . 16629 1 624 . 1 1 50 50 LEU HB3 H 1 0.059 0.009 . 2 . . . . 50 LEU HB3 . 16629 1 625 . 1 1 50 50 LEU HD11 H 1 -0.145 0.004 . . . . . . 50 LEU QD1 . 16629 1 626 . 1 1 50 50 LEU HD12 H 1 -0.145 0.004 . . . . . . 50 LEU QD1 . 16629 1 627 . 1 1 50 50 LEU HD13 H 1 -0.145 0.004 . . . . . . 50 LEU QD1 . 16629 1 628 . 1 1 50 50 LEU HD21 H 1 -0.329 0.005 . . . . . . 50 LEU QD2 . 16629 1 629 . 1 1 50 50 LEU HD22 H 1 -0.329 0.005 . . . . . . 50 LEU QD2 . 16629 1 630 . 1 1 50 50 LEU HD23 H 1 -0.329 0.005 . . . . . . 50 LEU QD2 . 16629 1 631 . 1 1 50 50 LEU HG H 1 0.602 0.008 . 1 . . . . 50 LEU HG . 16629 1 632 . 1 1 50 50 LEU C C 13 176.329 0.036 . 1 . . . . 50 LEU C . 16629 1 633 . 1 1 50 50 LEU CA C 13 55.850 0.079 . 1 . . . . 50 LEU CA . 16629 1 634 . 1 1 50 50 LEU CB C 13 41.168 0.084 . 1 . . . . 50 LEU CB . 16629 1 635 . 1 1 50 50 LEU CD1 C 13 24.330 0.041 . 2 . . . . 50 LEU CD1 . 16629 1 636 . 1 1 50 50 LEU CD2 C 13 21.114 0.019 . 2 . . . . 50 LEU CD2 . 16629 1 637 . 1 1 50 50 LEU CG C 13 25.966 0.011 . 1 . . . . 50 LEU CG . 16629 1 638 . 1 1 50 50 LEU N N 15 120.384 0.161 . 1 . . . . 50 LEU N . 16629 1 639 . 1 1 51 51 GLU H H 1 7.380 0.007 . 1 . . . . 51 GLU H . 16629 1 640 . 1 1 51 51 GLU HA H 1 3.422 0.008 . 1 . . . . 51 GLU HA . 16629 1 641 . 1 1 51 51 GLU HB2 H 1 1.920 0.008 . 2 . . . . 51 GLU HB2 . 16629 1 642 . 1 1 51 51 GLU HB3 H 1 1.800 0.006 . 2 . . . . 51 GLU HB3 . 16629 1 643 . 1 1 51 51 GLU HG2 H 1 2.123 0.004 . 2 . . . . 51 GLU HG2 . 16629 1 644 . 1 1 51 51 GLU HG3 H 1 2.319 0.011 . 2 . . . . 51 GLU HG3 . 16629 1 645 . 1 1 51 51 GLU C C 13 177.189 0.002 . 1 . . . . 51 GLU C . 16629 1 646 . 1 1 51 51 GLU CA C 13 61.366 0.107 . 1 . . . . 51 GLU CA . 16629 1 647 . 1 1 51 51 GLU CB C 13 28.774 0.048 . 1 . . . . 51 GLU CB . 16629 1 648 . 1 1 51 51 GLU CG C 13 37.144 0.139 . 1 . . . . 51 GLU CG . 16629 1 649 . 1 1 51 51 GLU N N 15 120.955 0.151 . 1 . . . . 51 GLU N . 16629 1 650 . 1 1 52 52 LYS H H 1 7.729 0.005 . 1 . . . . 52 LYS H . 16629 1 651 . 1 1 52 52 LYS HA H 1 3.880 0.016 . 1 . . . . 52 LYS HA . 16629 1 652 . 1 1 52 52 LYS HB2 H 1 1.758 0.009 . 2 . . . . 52 LYS QB . 16629 1 653 . 1 1 52 52 LYS HB3 H 1 1.758 0.009 . 2 . . . . 52 LYS QB . 16629 1 654 . 1 1 52 52 LYS HD2 H 1 1.683 0.002 . 2 . . . . 52 LYS QD . 16629 1 655 . 1 1 52 52 LYS HD3 H 1 1.683 0.002 . 2 . . . . 52 LYS QD . 16629 1 656 . 1 1 52 52 LYS HE2 H 1 2.919 0.004 . 2 . . . . 52 LYS QE . 16629 1 657 . 1 1 52 52 LYS HE3 H 1 2.919 0.004 . 2 . . . . 52 LYS QE . 16629 1 658 . 1 1 52 52 LYS HG2 H 1 1.606 0.002 . 2 . . . . 52 LYS HG2 . 16629 1 659 . 1 1 52 52 LYS HG3 H 1 1.405 0.008 . 2 . . . . 52 LYS HG3 . 16629 1 660 . 1 1 52 52 LYS C C 13 178.680 0.007 . 1 . . . . 52 LYS C . 16629 1 661 . 1 1 52 52 LYS CA C 13 59.704 0.147 . 1 . . . . 52 LYS CA . 16629 1 662 . 1 1 52 52 LYS CB C 13 32.663 0.099 . 1 . . . . 52 LYS CB . 16629 1 663 . 1 1 52 52 LYS CD C 13 29.392 0.080 . 1 . . . . 52 LYS CD . 16629 1 664 . 1 1 52 52 LYS CE C 13 41.653 0.000 . 1 . . . . 52 LYS CE . 16629 1 665 . 1 1 52 52 LYS CG C 13 25.289 0.029 . 1 . . . . 52 LYS CG . 16629 1 666 . 1 1 52 52 LYS N N 15 114.387 0.135 . 1 . . . . 52 LYS N . 16629 1 667 . 1 1 53 53 ALA H H 1 6.818 0.009 . 1 . . . . 53 ALA H . 16629 1 668 . 1 1 53 53 ALA HA H 1 4.128 0.014 . 1 . . . . 53 ALA HA . 16629 1 669 . 1 1 53 53 ALA HB1 H 1 1.470 0.010 . . . . . . 53 ALA QB . 16629 1 670 . 1 1 53 53 ALA HB2 H 1 1.470 0.010 . . . . . . 53 ALA QB . 16629 1 671 . 1 1 53 53 ALA HB3 H 1 1.470 0.010 . . . . . . 53 ALA QB . 16629 1 672 . 1 1 53 53 ALA C C 13 180.693 0.010 . 1 . . . . 53 ALA C . 16629 1 673 . 1 1 53 53 ALA CA C 13 54.758 0.101 . 1 . . . . 53 ALA CA . 16629 1 674 . 1 1 53 53 ALA CB C 13 18.705 0.080 . 1 . . . . 53 ALA CB . 16629 1 675 . 1 1 53 53 ALA N N 15 120.158 0.147 . 1 . . . . 53 ALA N . 16629 1 676 . 1 1 54 54 VAL H H 1 8.367 0.010 . 1 . . . . 54 VAL H . 16629 1 677 . 1 1 54 54 VAL HA H 1 3.547 0.009 . 1 . . . . 54 VAL HA . 16629 1 678 . 1 1 54 54 VAL HB H 1 2.367 0.009 . 1 . . . . 54 VAL HB . 16629 1 679 . 1 1 54 54 VAL HG11 H 1 0.982 0.005 . . . . . . 54 VAL QG1 . 16629 1 680 . 1 1 54 54 VAL HG12 H 1 0.982 0.005 . . . . . . 54 VAL QG1 . 16629 1 681 . 1 1 54 54 VAL HG13 H 1 0.982 0.005 . . . . . . 54 VAL QG1 . 16629 1 682 . 1 1 54 54 VAL HG21 H 1 0.604 0.003 . . . . . . 54 VAL QG2 . 16629 1 683 . 1 1 54 54 VAL HG22 H 1 0.604 0.003 . . . . . . 54 VAL QG2 . 16629 1 684 . 1 1 54 54 VAL HG23 H 1 0.604 0.003 . . . . . . 54 VAL QG2 . 16629 1 685 . 1 1 54 54 VAL C C 13 177.570 0.021 . 1 . . . . 54 VAL C . 16629 1 686 . 1 1 54 54 VAL CA C 13 66.138 0.123 . 1 . . . . 54 VAL CA . 16629 1 687 . 1 1 54 54 VAL CB C 13 31.435 0.090 . 1 . . . . 54 VAL CB . 16629 1 688 . 1 1 54 54 VAL CG1 C 13 20.600 0.016 . 2 . . . . 54 VAL CG1 . 16629 1 689 . 1 1 54 54 VAL CG2 C 13 23.778 0.016 . 2 . . . . 54 VAL CG2 . 16629 1 690 . 1 1 54 54 VAL N N 15 121.288 0.122 . 1 . . . . 54 VAL N . 16629 1 691 . 1 1 55 55 LEU H H 1 7.669 0.007 . 1 . . . . 55 LEU H . 16629 1 692 . 1 1 55 55 LEU HA H 1 4.178 0.013 . 1 . . . . 55 LEU HA . 16629 1 693 . 1 1 55 55 LEU HB2 H 1 1.875 0.010 . 2 . . . . 55 LEU HB2 . 16629 1 694 . 1 1 55 55 LEU HB3 H 1 1.574 0.003 . 2 . . . . 55 LEU HB3 . 16629 1 695 . 1 1 55 55 LEU HD11 H 1 0.989 0.004 . . . . . . 55 LEU QD1 . 16629 1 696 . 1 1 55 55 LEU HD12 H 1 0.989 0.004 . . . . . . 55 LEU QD1 . 16629 1 697 . 1 1 55 55 LEU HD13 H 1 0.989 0.004 . . . . . . 55 LEU QD1 . 16629 1 698 . 1 1 55 55 LEU HD21 H 1 0.959 0.010 . . . . . . 55 LEU QD2 . 16629 1 699 . 1 1 55 55 LEU HD22 H 1 0.959 0.010 . . . . . . 55 LEU QD2 . 16629 1 700 . 1 1 55 55 LEU HD23 H 1 0.959 0.010 . . . . . . 55 LEU QD2 . 16629 1 701 . 1 1 55 55 LEU HG H 1 2.004 0.011 . 1 . . . . 55 LEU HG . 16629 1 702 . 1 1 55 55 LEU C C 13 177.819 0.014 . 1 . . . . 55 LEU C . 16629 1 703 . 1 1 55 55 LEU CA C 13 57.298 0.123 . 1 . . . . 55 LEU CA . 16629 1 704 . 1 1 55 55 LEU CB C 13 41.854 0.058 . 1 . . . . 55 LEU CB . 16629 1 705 . 1 1 55 55 LEU CD1 C 13 25.420 0.105 . 2 . . . . 55 LEU CD1 . 16629 1 706 . 1 1 55 55 LEU CD2 C 13 22.438 0.006 . 2 . . . . 55 LEU CD2 . 16629 1 707 . 1 1 55 55 LEU CG C 13 27.268 0.013 . 1 . . . . 55 LEU CG . 16629 1 708 . 1 1 55 55 LEU N N 15 116.340 0.118 . 1 . . . . 55 LEU N . 16629 1 709 . 1 1 56 56 LYS H H 1 7.161 0.006 . 1 . . . . 56 LYS H . 16629 1 710 . 1 1 56 56 LYS HA H 1 4.604 0.013 . 1 . . . . 56 LYS HA . 16629 1 711 . 1 1 56 56 LYS HB2 H 1 2.013 0.017 . 2 . . . . 56 LYS HB2 . 16629 1 712 . 1 1 56 56 LYS HB3 H 1 1.879 0.009 . 2 . . . . 56 LYS HB3 . 16629 1 713 . 1 1 56 56 LYS HD2 H 1 1.733 0.003 . 2 . . . . 56 LYS QD . 16629 1 714 . 1 1 56 56 LYS HD3 H 1 1.733 0.003 . 2 . . . . 56 LYS QD . 16629 1 715 . 1 1 56 56 LYS HE2 H 1 3.039 0.006 . 2 . . . . 56 LYS QE . 16629 1 716 . 1 1 56 56 LYS HE3 H 1 3.039 0.006 . 2 . . . . 56 LYS QE . 16629 1 717 . 1 1 56 56 LYS HG2 H 1 1.591 0.009 . 2 . . . . 56 LYS QG . 16629 1 718 . 1 1 56 56 LYS HG3 H 1 1.591 0.009 . 2 . . . . 56 LYS QG . 16629 1 719 . 1 1 56 56 LYS C C 13 175.930 0.003 . 1 . . . . 56 LYS C . 16629 1 720 . 1 1 56 56 LYS CA C 13 55.623 0.118 . 1 . . . . 56 LYS CA . 16629 1 721 . 1 1 56 56 LYS CB C 13 33.838 0.117 . 1 . . . . 56 LYS CB . 16629 1 722 . 1 1 56 56 LYS CD C 13 29.064 0.112 . 1 . . . . 56 LYS CD . 16629 1 723 . 1 1 56 56 LYS CE C 13 42.075 0.156 . 1 . . . . 56 LYS CE . 16629 1 724 . 1 1 56 56 LYS CG C 13 24.470 0.042 . 1 . . . . 56 LYS CG . 16629 1 725 . 1 1 56 56 LYS N N 15 115.776 0.126 . 1 . . . . 56 LYS N . 16629 1 726 . 1 1 57 57 ALA H H 1 7.312 0.004 . 1 . . . . 57 ALA H . 16629 1 727 . 1 1 57 57 ALA HA H 1 4.547 0.021 . 1 . . . . 57 ALA HA . 16629 1 728 . 1 1 57 57 ALA HB1 H 1 1.747 0.009 . . . . . . 57 ALA QB . 16629 1 729 . 1 1 57 57 ALA HB2 H 1 1.747 0.009 . . . . . . 57 ALA QB . 16629 1 730 . 1 1 57 57 ALA HB3 H 1 1.747 0.009 . . . . . . 57 ALA QB . 16629 1 731 . 1 1 57 57 ALA C C 13 177.940 0.007 . 1 . . . . 57 ALA C . 16629 1 732 . 1 1 57 57 ALA CA C 13 52.530 0.153 . 1 . . . . 57 ALA CA . 16629 1 733 . 1 1 57 57 ALA CB C 13 21.191 0.084 . 1 . . . . 57 ALA CB . 16629 1 734 . 1 1 57 57 ALA N N 15 124.339 0.121 . 1 . . . . 57 ALA N . 16629 1 735 . 1 1 58 58 GLN H H 1 8.729 0.007 . 1 . . . . 58 GLN H . 16629 1 736 . 1 1 58 58 GLN HA H 1 4.474 0.010 . 1 . . . . 58 GLN HA . 16629 1 737 . 1 1 58 58 GLN HB2 H 1 1.945 0.006 . 2 . . . . 58 GLN HB2 . 16629 1 738 . 1 1 58 58 GLN HB3 H 1 2.015 0.011 . 2 . . . . 58 GLN HB3 . 16629 1 739 . 1 1 58 58 GLN HE21 H 1 7.767 0.003 . 2 . . . . 58 GLN HE21 . 16629 1 740 . 1 1 58 58 GLN HE22 H 1 6.901 0.004 . 2 . . . . 58 GLN HE22 . 16629 1 741 . 1 1 58 58 GLN HG2 H 1 2.440 0.011 . 2 . . . . 58 GLN QG . 16629 1 742 . 1 1 58 58 GLN HG3 H 1 2.440 0.011 . 2 . . . . 58 GLN QG . 16629 1 743 . 1 1 58 58 GLN C C 13 176.549 0.013 . 1 . . . . 58 GLN C . 16629 1 744 . 1 1 58 58 GLN CA C 13 54.674 0.073 . 1 . . . . 58 GLN CA . 16629 1 745 . 1 1 58 58 GLN CB C 13 29.229 0.055 . 1 . . . . 58 GLN CB . 16629 1 746 . 1 1 58 58 GLN CD C 13 180.654 0.015 . 1 . . . . 58 GLN CD . 16629 1 747 . 1 1 58 58 GLN CG C 13 33.773 0.094 . 1 . . . . 58 GLN CG . 16629 1 748 . 1 1 58 58 GLN N N 15 120.755 0.136 . 1 . . . . 58 GLN N . 16629 1 749 . 1 1 58 58 GLN NE2 N 15 113.329 0.157 . 1 . . . . 58 GLN NE2 . 16629 1 750 . 1 1 59 59 ILE H H 1 8.780 0.007 . 1 . . . . 59 ILE H . 16629 1 751 . 1 1 59 59 ILE HA H 1 3.760 0.013 . 1 . . . . 59 ILE HA . 16629 1 752 . 1 1 59 59 ILE HB H 1 1.787 0.011 . 1 . . . . 59 ILE HB . 16629 1 753 . 1 1 59 59 ILE HD11 H 1 1.039 0.006 . . . . . . 59 ILE QD1 . 16629 1 754 . 1 1 59 59 ILE HD12 H 1 1.039 0.006 . . . . . . 59 ILE QD1 . 16629 1 755 . 1 1 59 59 ILE HD13 H 1 1.039 0.006 . . . . . . 59 ILE QD1 . 16629 1 756 . 1 1 59 59 ILE HG12 H 1 1.126 0.005 . 2 . . . . 59 ILE HG12 . 16629 1 757 . 1 1 59 59 ILE HG13 H 1 1.794 0.001 . 2 . . . . 59 ILE HG13 . 16629 1 758 . 1 1 59 59 ILE HG21 H 1 0.854 0.007 . . . . . . 59 ILE QG2 . 16629 1 759 . 1 1 59 59 ILE HG22 H 1 0.854 0.007 . . . . . . 59 ILE QG2 . 16629 1 760 . 1 1 59 59 ILE HG23 H 1 0.854 0.007 . . . . . . 59 ILE QG2 . 16629 1 761 . 1 1 59 59 ILE C C 13 178.153 0.010 . 1 . . . . 59 ILE C . 16629 1 762 . 1 1 59 59 ILE CA C 13 63.471 0.114 . 1 . . . . 59 ILE CA . 16629 1 763 . 1 1 59 59 ILE CB C 13 37.766 0.102 . 1 . . . . 59 ILE CB . 16629 1 764 . 1 1 59 59 ILE CD1 C 13 13.186 0.029 . 1 . . . . 59 ILE CD1 . 16629 1 765 . 1 1 59 59 ILE CG1 C 13 29.036 0.038 . 1 . . . . 59 ILE CG1 . 16629 1 766 . 1 1 59 59 ILE CG2 C 13 16.992 0.009 . 1 . . . . 59 ILE CG2 . 16629 1 767 . 1 1 59 59 ILE N N 15 127.573 0.171 . 1 . . . . 59 ILE N . 16629 1 768 . 1 1 60 60 GLY H H 1 9.067 0.003 . 1 . . . . 60 GLY H . 16629 1 769 . 1 1 60 60 GLY HA2 H 1 4.198 0.008 . 2 . . . . 60 GLY HA2 . 16629 1 770 . 1 1 60 60 GLY HA3 H 1 3.399 0.008 . 2 . . . . 60 GLY HA3 . 16629 1 771 . 1 1 60 60 GLY C C 13 172.904 0.020 . 1 . . . . 60 GLY C . 16629 1 772 . 1 1 60 60 GLY CA C 13 45.601 0.152 . 1 . . . . 60 GLY CA . 16629 1 773 . 1 1 60 60 GLY N N 15 113.619 0.105 . 1 . . . . 60 GLY N . 16629 1 774 . 1 1 61 61 GLU H H 1 7.293 0.004 . 1 . . . . 61 GLU H . 16629 1 775 . 1 1 61 61 GLU HA H 1 4.623 0.014 . 1 . . . . 61 GLU HA . 16629 1 776 . 1 1 61 61 GLU HB2 H 1 1.741 0.008 . 2 . . . . 61 GLU HB2 . 16629 1 777 . 1 1 61 61 GLU HB3 H 1 2.047 0.011 . 2 . . . . 61 GLU HB3 . 16629 1 778 . 1 1 61 61 GLU HG2 H 1 2.059 0.010 . 2 . . . . 61 GLU HG2 . 16629 1 779 . 1 1 61 61 GLU HG3 H 1 2.257 0.006 . 2 . . . . 61 GLU HG3 . 16629 1 780 . 1 1 61 61 GLU C C 13 175.501 0.004 . 1 . . . . 61 GLU C . 16629 1 781 . 1 1 61 61 GLU CA C 13 53.775 0.109 . 1 . . . . 61 GLU CA . 16629 1 782 . 1 1 61 61 GLU CB C 13 32.021 0.115 . 1 . . . . 61 GLU CB . 16629 1 783 . 1 1 61 61 GLU CG C 13 35.353 0.067 . 1 . . . . 61 GLU CG . 16629 1 784 . 1 1 61 61 GLU N N 15 118.391 0.121 . 1 . . . . 61 GLU N . 16629 1 785 . 1 1 62 62 TRP H H 1 8.656 0.006 . 1 . . . . 62 TRP H . 16629 1 786 . 1 1 62 62 TRP HA H 1 4.574 0.020 . 1 . . . . 62 TRP HA . 16629 1 787 . 1 1 62 62 TRP HB2 H 1 3.051 0.010 . 2 . . . . 62 TRP HB2 . 16629 1 788 . 1 1 62 62 TRP HB3 H 1 2.973 0.008 . 2 . . . . 62 TRP HB3 . 16629 1 789 . 1 1 62 62 TRP HD1 H 1 7.288 0.008 . 1 . . . . 62 TRP HD1 . 16629 1 790 . 1 1 62 62 TRP HE1 H 1 10.037 0.006 . 1 . . . . 62 TRP HE1 . 16629 1 791 . 1 1 62 62 TRP HE3 H 1 7.006 0.002 . 1 . . . . 62 TRP HE3 . 16629 1 792 . 1 1 62 62 TRP HH2 H 1 7.050 0.006 . 1 . . . . 62 TRP HH2 . 16629 1 793 . 1 1 62 62 TRP HZ2 H 1 7.451 0.007 . 1 . . . . 62 TRP HZ2 . 16629 1 794 . 1 1 62 62 TRP HZ3 H 1 6.799 0.007 . 1 . . . . 62 TRP HZ3 . 16629 1 795 . 1 1 62 62 TRP C C 13 176.458 0.010 . 1 . . . . 62 TRP C . 16629 1 796 . 1 1 62 62 TRP CA C 13 58.168 0.175 . 1 . . . . 62 TRP CA . 16629 1 797 . 1 1 62 62 TRP CB C 13 29.578 0.142 . 1 . . . . 62 TRP CB . 16629 1 798 . 1 1 62 62 TRP CD1 C 13 127.043 0.087 . 1 . . . . 62 TRP CD1 . 16629 1 799 . 1 1 62 62 TRP CE3 C 13 128.925 0.000 . 1 . . . . 62 TRP CE3 . 16629 1 800 . 1 1 62 62 TRP CH2 C 13 124.898 0.030 . 1 . . . . 62 TRP CH2 . 16629 1 801 . 1 1 62 62 TRP CZ2 C 13 114.257 0.192 . 1 . . . . 62 TRP CZ2 . 16629 1 802 . 1 1 62 62 TRP CZ3 C 13 128.284 0.083 . 1 . . . . 62 TRP CZ3 . 16629 1 803 . 1 1 62 62 TRP N N 15 123.176 0.139 . 1 . . . . 62 TRP N . 16629 1 804 . 1 1 62 62 TRP NE1 N 15 127.762 0.019 . 1 . . . . 62 TRP NE1 . 16629 1 805 . 1 1 63 63 GLU H H 1 9.344 0.004 . 1 . . . . 63 GLU H . 16629 1 806 . 1 1 63 63 GLU HA H 1 4.628 0.009 . 1 . . . . 63 GLU HA . 16629 1 807 . 1 1 63 63 GLU HB2 H 1 0.866 0.013 . 2 . . . . 63 GLU HB2 . 16629 1 808 . 1 1 63 63 GLU HB3 H 1 1.646 0.012 . 2 . . . . 63 GLU HB3 . 16629 1 809 . 1 1 63 63 GLU HG2 H 1 2.104 0.006 . 2 . . . . 63 GLU HG2 . 16629 1 810 . 1 1 63 63 GLU HG3 H 1 2.205 0.004 . 2 . . . . 63 GLU HG3 . 16629 1 811 . 1 1 63 63 GLU C C 13 174.322 0.017 . 1 . . . . 63 GLU C . 16629 1 812 . 1 1 63 63 GLU CA C 13 54.920 0.071 . 1 . . . . 63 GLU CA . 16629 1 813 . 1 1 63 63 GLU CB C 13 33.294 0.114 . 1 . . . . 63 GLU CB . 16629 1 814 . 1 1 63 63 GLU CG C 13 35.818 0.037 . 1 . . . . 63 GLU CG . 16629 1 815 . 1 1 63 63 GLU N N 15 126.782 0.138 . 1 . . . . 63 GLU N . 16629 1 816 . 1 1 64 64 GLU H H 1 8.473 0.005 . 1 . . . . 64 GLU H . 16629 1 817 . 1 1 64 64 GLU HA H 1 5.797 0.014 . 1 . . . . 64 GLU HA . 16629 1 818 . 1 1 64 64 GLU HB2 H 1 1.944 0.009 . 2 . . . . 64 GLU HB2 . 16629 1 819 . 1 1 64 64 GLU HB3 H 1 2.114 0.011 . 2 . . . . 64 GLU HB3 . 16629 1 820 . 1 1 64 64 GLU HG2 H 1 2.204 0.002 . 2 . . . . 64 GLU HG2 . 16629 1 821 . 1 1 64 64 GLU HG3 H 1 2.291 0.001 . 2 . . . . 64 GLU HG3 . 16629 1 822 . 1 1 64 64 GLU C C 13 176.220 0.005 . 1 . . . . 64 GLU C . 16629 1 823 . 1 1 64 64 GLU CA C 13 54.744 0.102 . 1 . . . . 64 GLU CA . 16629 1 824 . 1 1 64 64 GLU CB C 13 33.509 0.086 . 1 . . . . 64 GLU CB . 16629 1 825 . 1 1 64 64 GLU CG C 13 37.102 0.041 . 1 . . . . 64 GLU CG . 16629 1 826 . 1 1 64 64 GLU N N 15 118.981 0.147 . 1 . . . . 64 GLU N . 16629 1 827 . 1 1 65 65 VAL H H 1 9.100 0.003 . 1 . . . . 65 VAL H . 16629 1 828 . 1 1 65 65 VAL HA H 1 4.814 0.010 . 1 . . . . 65 VAL HA . 16629 1 829 . 1 1 65 65 VAL HB H 1 2.328 0.013 . 1 . . . . 65 VAL HB . 16629 1 830 . 1 1 65 65 VAL HG11 H 1 1.058 0.002 . . . . . . 65 VAL QG1 . 16629 1 831 . 1 1 65 65 VAL HG12 H 1 1.058 0.002 . . . . . . 65 VAL QG1 . 16629 1 832 . 1 1 65 65 VAL HG13 H 1 1.058 0.002 . . . . . . 65 VAL QG1 . 16629 1 833 . 1 1 65 65 VAL HG21 H 1 1.013 0.007 . . . . . . 65 VAL QG2 . 16629 1 834 . 1 1 65 65 VAL HG22 H 1 1.013 0.007 . . . . . . 65 VAL QG2 . 16629 1 835 . 1 1 65 65 VAL HG23 H 1 1.013 0.007 . . . . . . 65 VAL QG2 . 16629 1 836 . 1 1 65 65 VAL C C 13 172.113 0.006 . 1 . . . . 65 VAL C . 16629 1 837 . 1 1 65 65 VAL CA C 13 60.213 0.128 . 1 . . . . 65 VAL CA . 16629 1 838 . 1 1 65 65 VAL CB C 13 35.576 0.084 . 1 . . . . 65 VAL CB . 16629 1 839 . 1 1 65 65 VAL CG1 C 13 21.167 0.060 . 2 . . . . 65 VAL CG1 . 16629 1 840 . 1 1 65 65 VAL CG2 C 13 20.803 0.059 . 2 . . . . 65 VAL CG2 . 16629 1 841 . 1 1 65 65 VAL N N 15 120.937 0.113 . 1 . . . . 65 VAL N . 16629 1 842 . 1 1 66 66 VAL H H 1 8.563 0.014 . 1 . . . . 66 VAL H . 16629 1 843 . 1 1 66 66 VAL HA H 1 5.050 0.011 . 1 . . . . 66 VAL HA . 16629 1 844 . 1 1 66 66 VAL HB H 1 1.946 0.008 . 1 . . . . 66 VAL HB . 16629 1 845 . 1 1 66 66 VAL HG11 H 1 0.985 0.008 . . . . . . 66 VAL QG1 . 16629 1 846 . 1 1 66 66 VAL HG12 H 1 0.985 0.008 . . . . . . 66 VAL QG1 . 16629 1 847 . 1 1 66 66 VAL HG13 H 1 0.985 0.008 . . . . . . 66 VAL QG1 . 16629 1 848 . 1 1 66 66 VAL HG21 H 1 0.777 0.007 . . . . . . 66 VAL QG2 . 16629 1 849 . 1 1 66 66 VAL HG22 H 1 0.777 0.007 . . . . . . 66 VAL QG2 . 16629 1 850 . 1 1 66 66 VAL HG23 H 1 0.777 0.007 . . . . . . 66 VAL QG2 . 16629 1 851 . 1 1 66 66 VAL C C 13 176.028 0.007 . 1 . . . . 66 VAL C . 16629 1 852 . 1 1 66 66 VAL CA C 13 61.784 0.089 . 1 . . . . 66 VAL CA . 16629 1 853 . 1 1 66 66 VAL CB C 13 32.698 0.054 . 1 . . . . 66 VAL CB . 16629 1 854 . 1 1 66 66 VAL CG1 C 13 21.340 0.009 . 2 . . . . 66 VAL CG1 . 16629 1 855 . 1 1 66 66 VAL CG2 C 13 21.790 0.014 . 2 . . . . 66 VAL CG2 . 16629 1 856 . 1 1 66 66 VAL N N 15 128.350 0.199 . 1 . . . . 66 VAL N . 16629 1 857 . 1 1 67 67 ILE H H 1 9.708 0.004 . 1 . . . . 67 ILE H . 16629 1 858 . 1 1 67 67 ILE HA H 1 4.338 0.009 . 1 . . . . 67 ILE HA . 16629 1 859 . 1 1 67 67 ILE HB H 1 1.746 0.009 . 1 . . . . 67 ILE HB . 16629 1 860 . 1 1 67 67 ILE HD11 H 1 0.372 0.008 . . . . . . 67 ILE QD1 . 16629 1 861 . 1 1 67 67 ILE HD12 H 1 0.372 0.008 . . . . . . 67 ILE QD1 . 16629 1 862 . 1 1 67 67 ILE HD13 H 1 0.372 0.008 . . . . . . 67 ILE QD1 . 16629 1 863 . 1 1 67 67 ILE HG12 H 1 0.853 0.005 . 2 . . . . 67 ILE HG12 . 16629 1 864 . 1 1 67 67 ILE HG13 H 1 1.592 0.009 . 2 . . . . 67 ILE HG13 . 16629 1 865 . 1 1 67 67 ILE HG21 H 1 1.024 0.004 . . . . . . 67 ILE QG2 . 16629 1 866 . 1 1 67 67 ILE HG22 H 1 1.024 0.004 . . . . . . 67 ILE QG2 . 16629 1 867 . 1 1 67 67 ILE HG23 H 1 1.024 0.004 . . . . . . 67 ILE QG2 . 16629 1 868 . 1 1 67 67 ILE C C 13 173.855 0.011 . 1 . . . . 67 ILE C . 16629 1 869 . 1 1 67 67 ILE CA C 13 60.582 0.130 . 1 . . . . 67 ILE CA . 16629 1 870 . 1 1 67 67 ILE CB C 13 40.486 0.056 . 1 . . . . 67 ILE CB . 16629 1 871 . 1 1 67 67 ILE CD1 C 13 13.513 0.026 . 1 . . . . 67 ILE CD1 . 16629 1 872 . 1 1 67 67 ILE CG1 C 13 27.826 0.020 . 1 . . . . 67 ILE CG1 . 16629 1 873 . 1 1 67 67 ILE CG2 C 13 19.836 0.051 . 1 . . . . 67 ILE CG2 . 16629 1 874 . 1 1 67 67 ILE N N 15 129.613 0.121 . 1 . . . . 67 ILE N . 16629 1 875 . 1 1 68 68 ALA H H 1 8.659 0.006 . 1 . . . . 68 ALA H . 16629 1 876 . 1 1 68 68 ALA HA H 1 4.602 0.007 . 1 . . . . 68 ALA HA . 16629 1 877 . 1 1 68 68 ALA HB1 H 1 1.522 0.009 . . . . . . 68 ALA QB . 16629 1 878 . 1 1 68 68 ALA HB2 H 1 1.522 0.009 . . . . . . 68 ALA QB . 16629 1 879 . 1 1 68 68 ALA HB3 H 1 1.522 0.009 . . . . . . 68 ALA QB . 16629 1 880 . 1 1 68 68 ALA C C 13 176.121 0.000 . 1 . . . . 68 ALA C . 16629 1 881 . 1 1 68 68 ALA CA C 13 51.002 0.090 . 1 . . . . 68 ALA CA . 16629 1 882 . 1 1 68 68 ALA CB C 13 17.906 0.094 . 1 . . . . 68 ALA CB . 16629 1 883 . 1 1 68 68 ALA N N 15 130.268 0.148 . 1 . . . . 68 ALA N . 16629 1 884 . 1 1 69 69 PRO HA H 1 4.364 0.007 . 1 . . . . 69 PRO HA . 16629 1 885 . 1 1 69 69 PRO HB2 H 1 2.148 0.008 . 2 . . . . 69 PRO HB2 . 16629 1 886 . 1 1 69 69 PRO HB3 H 1 1.700 0.013 . 2 . . . . 69 PRO HB3 . 16629 1 887 . 1 1 69 69 PRO HD2 H 1 3.741 0.011 . 2 . . . . 69 PRO HD2 . 16629 1 888 . 1 1 69 69 PRO HD3 H 1 3.850 0.005 . 2 . . . . 69 PRO HD3 . 16629 1 889 . 1 1 69 69 PRO HG2 H 1 2.062 0.006 . 2 . . . . 69 PRO QG . 16629 1 890 . 1 1 69 69 PRO HG3 H 1 2.062 0.006 . 2 . . . . 69 PRO QG . 16629 1 891 . 1 1 69 69 PRO C C 13 179.515 0.007 . 1 . . . . 69 PRO C . 16629 1 892 . 1 1 69 69 PRO CA C 13 66.023 0.049 . 1 . . . . 69 PRO CA . 16629 1 893 . 1 1 69 69 PRO CB C 13 31.557 0.138 . 1 . . . . 69 PRO CB . 16629 1 894 . 1 1 69 69 PRO CD C 13 49.859 0.014 . 1 . . . . 69 PRO CD . 16629 1 895 . 1 1 69 69 PRO CG C 13 27.360 0.017 . 1 . . . . 69 PRO CG . 16629 1 896 . 1 1 70 70 GLU H H 1 9.725 0.004 . 1 . . . . 70 GLU H . 16629 1 897 . 1 1 70 70 GLU HA H 1 3.989 0.008 . 1 . . . . 70 GLU HA . 16629 1 898 . 1 1 70 70 GLU HB2 H 1 2.025 0.011 . 2 . . . . 70 GLU QB . 16629 1 899 . 1 1 70 70 GLU HB3 H 1 2.025 0.011 . 2 . . . . 70 GLU QB . 16629 1 900 . 1 1 70 70 GLU HG2 H 1 2.283 0.004 . 2 . . . . 70 GLU HG2 . 16629 1 901 . 1 1 70 70 GLU HG3 H 1 2.393 0.007 . 2 . . . . 70 GLU HG3 . 16629 1 902 . 1 1 70 70 GLU C C 13 177.846 0.008 . 1 . . . . 70 GLU C . 16629 1 903 . 1 1 70 70 GLU CA C 13 60.193 0.104 . 1 . . . . 70 GLU CA . 16629 1 904 . 1 1 70 70 GLU CB C 13 28.508 0.062 . 1 . . . . 70 GLU CB . 16629 1 905 . 1 1 70 70 GLU CG C 13 36.877 0.035 . 1 . . . . 70 GLU CG . 16629 1 906 . 1 1 70 70 GLU N N 15 116.386 0.125 . 1 . . . . 70 GLU N . 16629 1 907 . 1 1 71 71 GLU H H 1 7.603 0.005 . 1 . . . . 71 GLU H . 16629 1 908 . 1 1 71 71 GLU HA H 1 4.495 0.013 . 1 . . . . 71 GLU HA . 16629 1 909 . 1 1 71 71 GLU HB2 H 1 1.854 0.006 . 2 . . . . 71 GLU HB2 . 16629 1 910 . 1 1 71 71 GLU HB3 H 1 2.093 0.006 . 2 . . . . 71 GLU HB3 . 16629 1 911 . 1 1 71 71 GLU HG2 H 1 2.053 0.005 . 2 . . . . 71 GLU HG2 . 16629 1 912 . 1 1 71 71 GLU HG3 H 1 2.225 0.002 . 2 . . . . 71 GLU HG3 . 16629 1 913 . 1 1 71 71 GLU C C 13 173.321 0.011 . 1 . . . . 71 GLU C . 16629 1 914 . 1 1 71 71 GLU CA C 13 55.695 0.121 . 1 . . . . 71 GLU CA . 16629 1 915 . 1 1 71 71 GLU CB C 13 30.894 0.096 . 1 . . . . 71 GLU CB . 16629 1 916 . 1 1 71 71 GLU CG C 13 37.214 0.041 . 1 . . . . 71 GLU CG . 16629 1 917 . 1 1 71 71 GLU N N 15 117.340 0.099 . 1 . . . . 71 GLU N . 16629 1 918 . 1 1 72 72 ALA H H 1 7.724 0.006 . 1 . . . . 72 ALA H . 16629 1 919 . 1 1 72 72 ALA HA H 1 4.455 0.009 . 1 . . . . 72 ALA HA . 16629 1 920 . 1 1 72 72 ALA HB1 H 1 1.342 0.012 . . . . . . 72 ALA QB . 16629 1 921 . 1 1 72 72 ALA HB2 H 1 1.342 0.012 . . . . . . 72 ALA QB . 16629 1 922 . 1 1 72 72 ALA HB3 H 1 1.342 0.012 . . . . . . 72 ALA QB . 16629 1 923 . 1 1 72 72 ALA C C 13 176.037 0.000 . 1 . . . . 72 ALA C . 16629 1 924 . 1 1 72 72 ALA CA C 13 50.603 0.087 . 1 . . . . 72 ALA CA . 16629 1 925 . 1 1 72 72 ALA CB C 13 18.674 0.000 . 1 . . . . 72 ALA CB . 16629 1 926 . 1 1 72 72 ALA N N 15 125.081 0.121 . 1 . . . . 72 ALA N . 16629 1 927 . 1 1 73 73 TYR HA H 1 4.222 0.009 . 1 . . . . 73 TYR HA . 16629 1 928 . 1 1 73 73 TYR HB2 H 1 2.818 0.013 . 2 . . . . 73 TYR HB2 . 16629 1 929 . 1 1 73 73 TYR HB3 H 1 2.082 0.005 . 2 . . . . 73 TYR HB3 . 16629 1 930 . 1 1 73 73 TYR HD1 H 1 6.691 0.011 . 3 . . . . 73 TYR QD . 16629 1 931 . 1 1 73 73 TYR HD2 H 1 6.691 0.011 . 3 . . . . 73 TYR QD . 16629 1 932 . 1 1 73 73 TYR C C 13 174.370 0.034 . 1 . . . . 73 TYR C . 16629 1 933 . 1 1 73 73 TYR CA C 13 59.950 0.094 . 1 . . . . 73 TYR CA . 16629 1 934 . 1 1 73 73 TYR CB C 13 37.178 0.047 . 1 . . . . 73 TYR CB . 16629 1 935 . 1 1 73 73 TYR CD1 C 13 132.552 0.072 . 3 . . . . 73 TYR CD1 . 16629 1 936 . 1 1 74 74 GLY H H 1 8.254 0.004 . 1 . . . . 74 GLY H . 16629 1 937 . 1 1 74 74 GLY HA2 H 1 4.415 0.006 . 2 . . . . 74 GLY HA2 . 16629 1 938 . 1 1 74 74 GLY HA3 H 1 3.665 0.010 . 2 . . . . 74 GLY HA3 . 16629 1 939 . 1 1 74 74 GLY C C 13 173.215 0.010 . 1 . . . . 74 GLY C . 16629 1 940 . 1 1 74 74 GLY CA C 13 44.247 0.159 . 1 . . . . 74 GLY CA . 16629 1 941 . 1 1 74 74 GLY N N 15 108.903 0.112 . 1 . . . . 74 GLY N . 16629 1 942 . 1 1 75 75 VAL H H 1 8.212 0.004 . 1 . . . . 75 VAL H . 16629 1 943 . 1 1 75 75 VAL HA H 1 4.041 0.010 . 1 . . . . 75 VAL HA . 16629 1 944 . 1 1 75 75 VAL HB H 1 2.250 0.008 . 1 . . . . 75 VAL HB . 16629 1 945 . 1 1 75 75 VAL HG11 H 1 1.004 0.005 . . . . . . 75 VAL QG1 . 16629 1 946 . 1 1 75 75 VAL HG12 H 1 1.004 0.005 . . . . . . 75 VAL QG1 . 16629 1 947 . 1 1 75 75 VAL HG13 H 1 1.004 0.005 . . . . . . 75 VAL QG1 . 16629 1 948 . 1 1 75 75 VAL HG21 H 1 0.864 0.004 . . . . . . 75 VAL QG2 . 16629 1 949 . 1 1 75 75 VAL HG22 H 1 0.864 0.004 . . . . . . 75 VAL QG2 . 16629 1 950 . 1 1 75 75 VAL HG23 H 1 0.864 0.004 . . . . . . 75 VAL QG2 . 16629 1 951 . 1 1 75 75 VAL C C 13 175.443 0.012 . 1 . . . . 75 VAL C . 16629 1 952 . 1 1 75 75 VAL CA C 13 61.755 0.110 . 1 . . . . 75 VAL CA . 16629 1 953 . 1 1 75 75 VAL CB C 13 32.555 0.071 . 1 . . . . 75 VAL CB . 16629 1 954 . 1 1 75 75 VAL CG1 C 13 21.678 0.016 . 2 . . . . 75 VAL CG1 . 16629 1 955 . 1 1 75 75 VAL CG2 C 13 18.948 0.025 . 2 . . . . 75 VAL CG2 . 16629 1 956 . 1 1 75 75 VAL N N 15 113.753 0.143 . 1 . . . . 75 VAL N . 16629 1 957 . 1 1 76 76 TYR H H 1 8.713 0.007 . 1 . . . . 76 TYR H . 16629 1 958 . 1 1 76 76 TYR HA H 1 3.918 0.013 . 1 . . . . 76 TYR HA . 16629 1 959 . 1 1 76 76 TYR HB2 H 1 2.957 0.012 . 2 . . . . 76 TYR HB2 . 16629 1 960 . 1 1 76 76 TYR HB3 H 1 2.499 0.020 . 2 . . . . 76 TYR HB3 . 16629 1 961 . 1 1 76 76 TYR HD1 H 1 6.846 0.008 . 3 . . . . 76 TYR QD . 16629 1 962 . 1 1 76 76 TYR HD2 H 1 6.846 0.008 . 3 . . . . 76 TYR QD . 16629 1 963 . 1 1 76 76 TYR HE1 H 1 7.321 0.000 . 3 . . . . 76 TYR QE . 16629 1 964 . 1 1 76 76 TYR HE2 H 1 7.321 0.000 . 3 . . . . 76 TYR QE . 16629 1 965 . 1 1 76 76 TYR C C 13 175.204 0.030 . 1 . . . . 76 TYR C . 16629 1 966 . 1 1 76 76 TYR CA C 13 59.650 0.107 . 1 . . . . 76 TYR CA . 16629 1 967 . 1 1 76 76 TYR CB C 13 39.134 0.108 . 1 . . . . 76 TYR CB . 16629 1 968 . 1 1 76 76 TYR CD1 C 13 132.644 0.118 . 3 . . . . 76 TYR CD1 . 16629 1 969 . 1 1 76 76 TYR N N 15 123.957 0.121 . 1 . . . . 76 TYR N . 16629 1 970 . 1 1 77 77 GLU H H 1 8.566 0.006 . 1 . . . . 77 GLU H . 16629 1 971 . 1 1 77 77 GLU HA H 1 4.647 0.009 . 1 . . . . 77 GLU HA . 16629 1 972 . 1 1 77 77 GLU HB2 H 1 1.354 0.002 . 2 . . . . 77 GLU HB2 . 16629 1 973 . 1 1 77 77 GLU HB3 H 1 1.414 0.005 . 2 . . . . 77 GLU HB3 . 16629 1 974 . 1 1 77 77 GLU HG2 H 1 1.882 0.010 . 2 . . . . 77 GLU HG2 . 16629 1 975 . 1 1 77 77 GLU HG3 H 1 1.647 0.006 . 2 . . . . 77 GLU HG3 . 16629 1 976 . 1 1 77 77 GLU C C 13 177.439 0.003 . 1 . . . . 77 GLU C . 16629 1 977 . 1 1 77 77 GLU CA C 13 54.061 0.123 . 1 . . . . 77 GLU CA . 16629 1 978 . 1 1 77 77 GLU CB C 13 30.036 0.093 . 1 . . . . 77 GLU CB . 16629 1 979 . 1 1 77 77 GLU CG C 13 33.932 0.069 . 1 . . . . 77 GLU CG . 16629 1 980 . 1 1 77 77 GLU N N 15 130.086 0.145 . 1 . . . . 77 GLU N . 16629 1 981 . 1 1 78 78 SER H H 1 9.244 0.004 . 1 . . . . 78 SER H . 16629 1 982 . 1 1 78 78 SER HA H 1 4.151 0.006 . 1 . . . . 78 SER HA . 16629 1 983 . 1 1 78 78 SER HB2 H 1 4.072 0.008 . 2 . . . . 78 SER QB . 16629 1 984 . 1 1 78 78 SER HB3 H 1 4.072 0.008 . 2 . . . . 78 SER QB . 16629 1 985 . 1 1 78 78 SER C C 13 176.503 0.006 . 1 . . . . 78 SER C . 16629 1 986 . 1 1 78 78 SER CA C 13 61.818 0.075 . 1 . . . . 78 SER CA . 16629 1 987 . 1 1 78 78 SER CB C 13 62.467 0.054 . 1 . . . . 78 SER CB . 16629 1 988 . 1 1 78 78 SER N N 15 126.314 0.179 . 1 . . . . 78 SER N . 16629 1 989 . 1 1 79 79 SER H H 1 8.753 0.005 . 1 . . . . 79 SER H . 16629 1 990 . 1 1 79 79 SER HA H 1 4.395 0.015 . 1 . . . . 79 SER HA . 16629 1 991 . 1 1 79 79 SER HB2 H 1 3.956 0.007 . 2 . . . . 79 SER HB2 . 16629 1 992 . 1 1 79 79 SER HB3 H 1 3.866 0.007 . 2 . . . . 79 SER HB3 . 16629 1 993 . 1 1 79 79 SER C C 13 175.312 0.013 . 1 . . . . 79 SER C . 16629 1 994 . 1 1 79 79 SER CA C 13 60.402 0.133 . 1 . . . . 79 SER CA . 16629 1 995 . 1 1 79 79 SER CB C 13 62.892 0.144 . 1 . . . . 79 SER CB . 16629 1 996 . 1 1 79 79 SER N N 15 116.115 0.145 . 1 . . . . 79 SER N . 16629 1 997 . 1 1 80 80 TYR H H 1 7.390 0.006 . 1 . . . . 80 TYR H . 16629 1 998 . 1 1 80 80 TYR HA H 1 4.896 0.007 . 1 . . . . 80 TYR HA . 16629 1 999 . 1 1 80 80 TYR HB2 H 1 3.299 0.019 . 2 . . . . 80 TYR HB2 . 16629 1 1000 . 1 1 80 80 TYR HB3 H 1 3.086 0.013 . 2 . . . . 80 TYR HB3 . 16629 1 1001 . 1 1 80 80 TYR HD1 H 1 6.823 0.011 . 3 . . . . 80 TYR QD . 16629 1 1002 . 1 1 80 80 TYR HD2 H 1 6.823 0.011 . 3 . . . . 80 TYR QD . 16629 1 1003 . 1 1 80 80 TYR C C 13 173.984 0.013 . 1 . . . . 80 TYR C . 16629 1 1004 . 1 1 80 80 TYR CA C 13 55.477 0.124 . 1 . . . . 80 TYR CA . 16629 1 1005 . 1 1 80 80 TYR CB C 13 37.091 0.091 . 1 . . . . 80 TYR CB . 16629 1 1006 . 1 1 80 80 TYR CD1 C 13 118.228 0.033 . 3 . . . . 80 TYR CD1 . 16629 1 1007 . 1 1 80 80 TYR N N 15 120.555 0.124 . 1 . . . . 80 TYR N . 16629 1 1008 . 1 1 81 81 LEU H H 1 7.415 0.006 . 1 . . . . 81 LEU H . 16629 1 1009 . 1 1 81 81 LEU HA H 1 5.321 0.014 . 1 . . . . 81 LEU HA . 16629 1 1010 . 1 1 81 81 LEU HB2 H 1 1.983 0.009 . 2 . . . . 81 LEU HB2 . 16629 1 1011 . 1 1 81 81 LEU HB3 H 1 1.608 0.014 . 2 . . . . 81 LEU HB3 . 16629 1 1012 . 1 1 81 81 LEU HD11 H 1 0.954 0.010 . . . . . . 81 LEU QQD . 16629 1 1013 . 1 1 81 81 LEU HD12 H 1 0.954 0.010 . . . . . . 81 LEU QQD . 16629 1 1014 . 1 1 81 81 LEU HD13 H 1 0.954 0.010 . . . . . . 81 LEU QQD . 16629 1 1015 . 1 1 81 81 LEU HD21 H 1 0.954 0.010 . . . . . . 81 LEU QQD . 16629 1 1016 . 1 1 81 81 LEU HD22 H 1 0.954 0.010 . . . . . . 81 LEU QQD . 16629 1 1017 . 1 1 81 81 LEU HD23 H 1 0.954 0.010 . . . . . . 81 LEU QQD . 16629 1 1018 . 1 1 81 81 LEU HG H 1 1.545 0.004 . 1 . . . . 81 LEU HG . 16629 1 1019 . 1 1 81 81 LEU C C 13 176.122 0.020 . 1 . . . . 81 LEU C . 16629 1 1020 . 1 1 81 81 LEU CA C 13 54.625 0.070 . 1 . . . . 81 LEU CA . 16629 1 1021 . 1 1 81 81 LEU CB C 13 42.100 0.083 . 1 . . . . 81 LEU CB . 16629 1 1022 . 1 1 81 81 LEU CD1 C 13 24.374 0.034 . 2 . . . . 81 LEU CD1 . 16629 1 1023 . 1 1 81 81 LEU CD2 C 13 24.437 0.040 . 2 . . . . 81 LEU CD2 . 16629 1 1024 . 1 1 81 81 LEU CG C 13 27.816 0.033 . 1 . . . . 81 LEU CG . 16629 1 1025 . 1 1 81 81 LEU N N 15 123.294 0.134 . 1 . . . . 81 LEU N . 16629 1 1026 . 1 1 82 82 GLN H H 1 9.242 0.006 . 1 . . . . 82 GLN H . 16629 1 1027 . 1 1 82 82 GLN HA H 1 4.740 0.015 . 1 . . . . 82 GLN HA . 16629 1 1028 . 1 1 82 82 GLN HB2 H 1 2.201 0.009 . 2 . . . . 82 GLN HB2 . 16629 1 1029 . 1 1 82 82 GLN HB3 H 1 1.977 0.005 . 2 . . . . 82 GLN HB3 . 16629 1 1030 . 1 1 82 82 GLN HE21 H 1 7.373 0.004 . 2 . . . . 82 GLN HE21 . 16629 1 1031 . 1 1 82 82 GLN HE22 H 1 6.803 0.004 . 2 . . . . 82 GLN HE22 . 16629 1 1032 . 1 1 82 82 GLN HG2 H 1 2.409 0.010 . 2 . . . . 82 GLN QG . 16629 1 1033 . 1 1 82 82 GLN HG3 H 1 2.409 0.010 . 2 . . . . 82 GLN QG . 16629 1 1034 . 1 1 82 82 GLN C C 13 173.655 0.015 . 1 . . . . 82 GLN C . 16629 1 1035 . 1 1 82 82 GLN CA C 13 54.480 0.095 . 1 . . . . 82 GLN CA . 16629 1 1036 . 1 1 82 82 GLN CB C 13 32.914 0.063 . 1 . . . . 82 GLN CB . 16629 1 1037 . 1 1 82 82 GLN CD C 13 179.882 0.006 . 1 . . . . 82 GLN CD . 16629 1 1038 . 1 1 82 82 GLN CG C 13 33.752 0.171 . 1 . . . . 82 GLN CG . 16629 1 1039 . 1 1 82 82 GLN N N 15 124.887 0.124 . 1 . . . . 82 GLN N . 16629 1 1040 . 1 1 82 82 GLN NE2 N 15 110.886 0.087 . 1 . . . . 82 GLN NE2 . 16629 1 1041 . 1 1 83 83 GLU H H 1 8.677 0.009 . 1 . . . . 83 GLU H . 16629 1 1042 . 1 1 83 83 GLU HA H 1 5.228 0.012 . 1 . . . . 83 GLU HA . 16629 1 1043 . 1 1 83 83 GLU HB2 H 1 1.937 0.010 . 2 . . . . 83 GLU HB2 . 16629 1 1044 . 1 1 83 83 GLU HB3 H 1 1.847 0.007 . 2 . . . . 83 GLU HB3 . 16629 1 1045 . 1 1 83 83 GLU HG2 H 1 2.002 0.002 . 2 . . . . 83 GLU HG2 . 16629 1 1046 . 1 1 83 83 GLU HG3 H 1 2.165 0.008 . 2 . . . . 83 GLU HG3 . 16629 1 1047 . 1 1 83 83 GLU C C 13 176.402 0.012 . 1 . . . . 83 GLU C . 16629 1 1048 . 1 1 83 83 GLU CA C 13 55.582 0.142 . 1 . . . . 83 GLU CA . 16629 1 1049 . 1 1 83 83 GLU CB C 13 31.474 0.069 . 1 . . . . 83 GLU CB . 16629 1 1050 . 1 1 83 83 GLU CG C 13 37.691 0.050 . 1 . . . . 83 GLU CG . 16629 1 1051 . 1 1 83 83 GLU N N 15 124.086 0.204 . 1 . . . . 83 GLU N . 16629 1 1052 . 1 1 84 84 VAL H H 1 9.643 0.006 . 1 . . . . 84 VAL H . 16629 1 1053 . 1 1 84 84 VAL HA H 1 5.006 0.009 . 1 . . . . 84 VAL HA . 16629 1 1054 . 1 1 84 84 VAL HB H 1 2.306 0.004 . 1 . . . . 84 VAL HB . 16629 1 1055 . 1 1 84 84 VAL HG11 H 1 1.123 0.006 . . . . . . 84 VAL QG1 . 16629 1 1056 . 1 1 84 84 VAL HG12 H 1 1.123 0.006 . . . . . . 84 VAL QG1 . 16629 1 1057 . 1 1 84 84 VAL HG13 H 1 1.123 0.006 . . . . . . 84 VAL QG1 . 16629 1 1058 . 1 1 84 84 VAL HG21 H 1 1.171 0.004 . . . . . . 84 VAL QG2 . 16629 1 1059 . 1 1 84 84 VAL HG22 H 1 1.171 0.004 . . . . . . 84 VAL QG2 . 16629 1 1060 . 1 1 84 84 VAL HG23 H 1 1.171 0.004 . . . . . . 84 VAL QG2 . 16629 1 1061 . 1 1 84 84 VAL C C 13 173.553 0.000 . 1 . . . . 84 VAL C . 16629 1 1062 . 1 1 84 84 VAL CA C 13 58.962 0.116 . 1 . . . . 84 VAL CA . 16629 1 1063 . 1 1 84 84 VAL CB C 13 35.012 0.060 . 1 . . . . 84 VAL CB . 16629 1 1064 . 1 1 84 84 VAL CG1 C 13 20.854 0.021 . 2 . . . . 84 VAL CG1 . 16629 1 1065 . 1 1 84 84 VAL CG2 C 13 21.517 0.010 . 2 . . . . 84 VAL CG2 . 16629 1 1066 . 1 1 84 84 VAL N N 15 126.310 0.132 . 1 . . . . 84 VAL N . 16629 1 1067 . 1 1 85 85 PRO HA H 1 4.289 0.009 . 1 . . . . 85 PRO HA . 16629 1 1068 . 1 1 85 85 PRO HB2 H 1 2.390 0.005 . 2 . . . . 85 PRO HB2 . 16629 1 1069 . 1 1 85 85 PRO HB3 H 1 2.101 0.011 . 2 . . . . 85 PRO HB3 . 16629 1 1070 . 1 1 85 85 PRO HD2 H 1 3.763 0.009 . 2 . . . . 85 PRO HD2 . 16629 1 1071 . 1 1 85 85 PRO HD3 H 1 4.112 0.010 . 2 . . . . 85 PRO HD3 . 16629 1 1072 . 1 1 85 85 PRO HG2 H 1 2.262 0.009 . 2 . . . . 85 PRO HG2 . 16629 1 1073 . 1 1 85 85 PRO HG3 H 1 2.063 0.008 . 2 . . . . 85 PRO HG3 . 16629 1 1074 . 1 1 85 85 PRO C C 13 177.382 0.006 . 1 . . . . 85 PRO C . 16629 1 1075 . 1 1 85 85 PRO CA C 13 63.534 0.056 . 1 . . . . 85 PRO CA . 16629 1 1076 . 1 1 85 85 PRO CB C 13 32.419 0.000 . 1 . . . . 85 PRO CB . 16629 1 1077 . 1 1 85 85 PRO CD C 13 51.310 0.058 . 1 . . . . 85 PRO CD . 16629 1 1078 . 1 1 85 85 PRO CG C 13 28.410 0.077 . 1 . . . . 85 PRO CG . 16629 1 1079 . 1 1 86 86 ARG H H 1 7.985 0.009 . 1 . . . . 86 ARG H . 16629 1 1080 . 1 1 86 86 ARG HA H 1 4.009 0.010 . 1 . . . . 86 ARG HA . 16629 1 1081 . 1 1 86 86 ARG HB2 H 1 1.802 0.013 . 2 . . . . 86 ARG HB2 . 16629 1 1082 . 1 1 86 86 ARG HB3 H 1 1.334 0.012 . 2 . . . . 86 ARG HB3 . 16629 1 1083 . 1 1 86 86 ARG HD2 H 1 3.024 0.015 . 2 . . . . 86 ARG QD . 16629 1 1084 . 1 1 86 86 ARG HD3 H 1 3.024 0.015 . 2 . . . . 86 ARG QD . 16629 1 1085 . 1 1 86 86 ARG HE H 1 6.844 0.001 . 1 . . . . 86 ARG HE . 16629 1 1086 . 1 1 86 86 ARG HG2 H 1 1.497 0.007 . 2 . . . . 86 ARG HG2 . 16629 1 1087 . 1 1 86 86 ARG HG3 H 1 1.633 0.007 . 2 . . . . 86 ARG HG3 . 16629 1 1088 . 1 1 86 86 ARG C C 13 177.730 0.016 . 1 . . . . 86 ARG C . 16629 1 1089 . 1 1 86 86 ARG CA C 13 58.516 0.057 . 1 . . . . 86 ARG CA . 16629 1 1090 . 1 1 86 86 ARG CB C 13 29.902 0.056 . 1 . . . . 86 ARG CB . 16629 1 1091 . 1 1 86 86 ARG CD C 13 43.162 0.123 . 1 . . . . 86 ARG CD . 16629 1 1092 . 1 1 86 86 ARG CG C 13 27.811 0.044 . 1 . . . . 86 ARG CG . 16629 1 1093 . 1 1 86 86 ARG N N 15 122.307 0.121 . 1 . . . . 86 ARG N . 16629 1 1094 . 1 1 86 86 ARG NE N 15 83.810 0.050 . 1 . . . . 86 ARG NE . 16629 1 1095 . 1 1 87 87 ASP H H 1 8.522 0.004 . 1 . . . . 87 ASP H . 16629 1 1096 . 1 1 87 87 ASP HA H 1 4.380 0.016 . 1 . . . . 87 ASP HA . 16629 1 1097 . 1 1 87 87 ASP HB2 H 1 2.793 0.006 . 2 . . . . 87 ASP HB2 . 16629 1 1098 . 1 1 87 87 ASP HB3 H 1 2.676 0.014 . 2 . . . . 87 ASP HB3 . 16629 1 1099 . 1 1 87 87 ASP C C 13 177.564 0.021 . 1 . . . . 87 ASP C . 16629 1 1100 . 1 1 87 87 ASP CA C 13 56.083 0.137 . 1 . . . . 87 ASP CA . 16629 1 1101 . 1 1 87 87 ASP CB C 13 39.525 0.077 . 1 . . . . 87 ASP CB . 16629 1 1102 . 1 1 87 87 ASP N N 15 118.430 0.144 . 1 . . . . 87 ASP N . 16629 1 1103 . 1 1 88 88 GLN H H 1 7.669 0.005 . 1 . . . . 88 GLN H . 16629 1 1104 . 1 1 88 88 GLN HA H 1 4.093 0.007 . 1 . . . . 88 GLN HA . 16629 1 1105 . 1 1 88 88 GLN HB2 H 1 1.817 0.010 . 2 . . . . 88 GLN QB . 16629 1 1106 . 1 1 88 88 GLN HB3 H 1 1.817 0.010 . 2 . . . . 88 GLN QB . 16629 1 1107 . 1 1 88 88 GLN HE21 H 1 7.491 0.003 . 2 . . . . 88 GLN HE21 . 16629 1 1108 . 1 1 88 88 GLN HE22 H 1 6.835 0.002 . 2 . . . . 88 GLN HE22 . 16629 1 1109 . 1 1 88 88 GLN HG2 H 1 2.167 0.009 . 2 . . . . 88 GLN QG . 16629 1 1110 . 1 1 88 88 GLN HG3 H 1 2.167 0.009 . 2 . . . . 88 GLN QG . 16629 1 1111 . 1 1 88 88 GLN C C 13 175.827 0.010 . 1 . . . . 88 GLN C . 16629 1 1112 . 1 1 88 88 GLN CA C 13 57.130 0.121 . 1 . . . . 88 GLN CA . 16629 1 1113 . 1 1 88 88 GLN CB C 13 28.101 0.082 . 1 . . . . 88 GLN CB . 16629 1 1114 . 1 1 88 88 GLN CD C 13 179.571 0.011 . 1 . . . . 88 GLN CD . 16629 1 1115 . 1 1 88 88 GLN CG C 13 34.356 0.104 . 1 . . . . 88 GLN CG . 16629 1 1116 . 1 1 88 88 GLN N N 15 118.281 0.239 . 1 . . . . 88 GLN N . 16629 1 1117 . 1 1 88 88 GLN NE2 N 15 111.854 0.091 . 1 . . . . 88 GLN NE2 . 16629 1 1118 . 1 1 89 89 PHE H H 1 7.965 0.007 . 1 . . . . 89 PHE H . 16629 1 1119 . 1 1 89 89 PHE HA H 1 4.604 0.014 . 1 . . . . 89 PHE HA . 16629 1 1120 . 1 1 89 89 PHE HB2 H 1 3.399 0.009 . 2 . . . . 89 PHE HB2 . 16629 1 1121 . 1 1 89 89 PHE HB3 H 1 2.664 0.016 . 2 . . . . 89 PHE HB3 . 16629 1 1122 . 1 1 89 89 PHE HD1 H 1 7.104 0.007 . 3 . . . . 89 PHE QD . 16629 1 1123 . 1 1 89 89 PHE HD2 H 1 7.104 0.007 . 3 . . . . 89 PHE QD . 16629 1 1124 . 1 1 89 89 PHE C C 13 174.884 0.007 . 1 . . . . 89 PHE C . 16629 1 1125 . 1 1 89 89 PHE CA C 13 56.782 0.210 . 1 . . . . 89 PHE CA . 16629 1 1126 . 1 1 89 89 PHE CB C 13 39.368 0.079 . 1 . . . . 89 PHE CB . 16629 1 1127 . 1 1 89 89 PHE N N 15 117.873 0.124 . 1 . . . . 89 PHE N . 16629 1 1128 . 1 1 90 90 GLU H H 1 7.378 0.003 . 1 . . . . 90 GLU H . 16629 1 1129 . 1 1 90 90 GLU HA H 1 4.104 0.011 . 1 . . . . 90 GLU HA . 16629 1 1130 . 1 1 90 90 GLU HB2 H 1 2.083 0.007 . 2 . . . . 90 GLU HB2 . 16629 1 1131 . 1 1 90 90 GLU HB3 H 1 1.964 0.005 . 2 . . . . 90 GLU HB3 . 16629 1 1132 . 1 1 90 90 GLU HG2 H 1 2.264 0.006 . 2 . . . . 90 GLU QG . 16629 1 1133 . 1 1 90 90 GLU HG3 H 1 2.264 0.006 . 2 . . . . 90 GLU QG . 16629 1 1134 . 1 1 90 90 GLU C C 13 177.571 0.005 . 1 . . . . 90 GLU C . 16629 1 1135 . 1 1 90 90 GLU CA C 13 58.380 0.089 . 1 . . . . 90 GLU CA . 16629 1 1136 . 1 1 90 90 GLU CB C 13 29.581 0.103 . 1 . . . . 90 GLU CB . 16629 1 1137 . 1 1 90 90 GLU CG C 13 36.022 0.097 . 1 . . . . 90 GLU CG . 16629 1 1138 . 1 1 90 90 GLU N N 15 121.272 0.145 . 1 . . . . 90 GLU N . 16629 1 1139 . 1 1 91 91 GLY H H 1 8.924 0.005 . 1 . . . . 91 GLY H . 16629 1 1140 . 1 1 91 91 GLY HA2 H 1 4.144 0.013 . 2 . . . . 91 GLY HA2 . 16629 1 1141 . 1 1 91 91 GLY HA3 H 1 3.731 0.005 . 2 . . . . 91 GLY HA3 . 16629 1 1142 . 1 1 91 91 GLY C C 13 173.864 0.006 . 1 . . . . 91 GLY C . 16629 1 1143 . 1 1 91 91 GLY CA C 13 45.387 0.173 . 1 . . . . 91 GLY CA . 16629 1 1144 . 1 1 91 91 GLY N N 15 112.973 0.111 . 1 . . . . 91 GLY N . 16629 1 1145 . 1 1 92 92 ILE H H 1 7.680 0.007 . 1 . . . . 92 ILE H . 16629 1 1146 . 1 1 92 92 ILE HA H 1 4.253 0.007 . 1 . . . . 92 ILE HA . 16629 1 1147 . 1 1 92 92 ILE HB H 1 1.980 0.007 . 1 . . . . 92 ILE HB . 16629 1 1148 . 1 1 92 92 ILE HD11 H 1 0.903 0.006 . . . . . . 92 ILE QD1 . 16629 1 1149 . 1 1 92 92 ILE HD12 H 1 0.903 0.006 . . . . . . 92 ILE QD1 . 16629 1 1150 . 1 1 92 92 ILE HD13 H 1 0.903 0.006 . . . . . . 92 ILE QD1 . 16629 1 1151 . 1 1 92 92 ILE HG12 H 1 1.409 0.007 . 2 . . . . 92 ILE HG12 . 16629 1 1152 . 1 1 92 92 ILE HG13 H 1 1.134 0.014 . 2 . . . . 92 ILE HG13 . 16629 1 1153 . 1 1 92 92 ILE HG21 H 1 0.845 0.006 . . . . . . 92 ILE QG2 . 16629 1 1154 . 1 1 92 92 ILE HG22 H 1 0.845 0.006 . . . . . . 92 ILE QG2 . 16629 1 1155 . 1 1 92 92 ILE HG23 H 1 0.845 0.006 . . . . . . 92 ILE QG2 . 16629 1 1156 . 1 1 92 92 ILE C C 13 175.436 0.009 . 1 . . . . 92 ILE C . 16629 1 1157 . 1 1 92 92 ILE CA C 13 59.915 0.099 . 1 . . . . 92 ILE CA . 16629 1 1158 . 1 1 92 92 ILE CB C 13 39.451 0.073 . 1 . . . . 92 ILE CB . 16629 1 1159 . 1 1 92 92 ILE CD1 C 13 12.895 0.025 . 1 . . . . 92 ILE CD1 . 16629 1 1160 . 1 1 92 92 ILE CG1 C 13 26.950 0.010 . 1 . . . . 92 ILE CG1 . 16629 1 1161 . 1 1 92 92 ILE CG2 C 13 17.447 0.039 . 1 . . . . 92 ILE CG2 . 16629 1 1162 . 1 1 92 92 ILE N N 15 119.781 0.167 . 1 . . . . 92 ILE N . 16629 1 1163 . 1 1 93 93 GLU H H 1 8.537 0.007 . 1 . . . . 93 GLU H . 16629 1 1164 . 1 1 93 93 GLU HA H 1 4.240 0.009 . 1 . . . . 93 GLU HA . 16629 1 1165 . 1 1 93 93 GLU HB2 H 1 1.955 0.006 . 2 . . . . 93 GLU HB2 . 16629 1 1166 . 1 1 93 93 GLU HB3 H 1 1.876 0.011 . 2 . . . . 93 GLU HB3 . 16629 1 1167 . 1 1 93 93 GLU HG2 H 1 2.181 0.008 . 2 . . . . 93 GLU QG . 16629 1 1168 . 1 1 93 93 GLU HG3 H 1 2.181 0.008 . 2 . . . . 93 GLU QG . 16629 1 1169 . 1 1 93 93 GLU C C 13 175.094 0.015 . 1 . . . . 93 GLU C . 16629 1 1170 . 1 1 93 93 GLU CA C 13 55.470 0.131 . 1 . . . . 93 GLU CA . 16629 1 1171 . 1 1 93 93 GLU CB C 13 28.646 0.120 . 1 . . . . 93 GLU CB . 16629 1 1172 . 1 1 93 93 GLU CG C 13 35.919 0.013 . 1 . . . . 93 GLU CG . 16629 1 1173 . 1 1 93 93 GLU N N 15 127.294 0.132 . 1 . . . . 93 GLU N . 16629 1 1174 . 1 1 94 94 LEU H H 1 7.706 0.008 . 1 . . . . 94 LEU H . 16629 1 1175 . 1 1 94 94 LEU HA H 1 4.044 0.010 . 1 . . . . 94 LEU HA . 16629 1 1176 . 1 1 94 94 LEU HB2 H 1 0.214 0.006 . 2 . . . . 94 LEU HB2 . 16629 1 1177 . 1 1 94 94 LEU HB3 H 1 0.679 0.009 . 2 . . . . 94 LEU HB3 . 16629 1 1178 . 1 1 94 94 LEU HD11 H 1 0.351 0.004 . . . . . . 94 LEU QD1 . 16629 1 1179 . 1 1 94 94 LEU HD12 H 1 0.351 0.004 . . . . . . 94 LEU QD1 . 16629 1 1180 . 1 1 94 94 LEU HD13 H 1 0.351 0.004 . . . . . . 94 LEU QD1 . 16629 1 1181 . 1 1 94 94 LEU HD21 H 1 0.285 0.005 . . . . . . 94 LEU QD2 . 16629 1 1182 . 1 1 94 94 LEU HD22 H 1 0.285 0.005 . . . . . . 94 LEU QD2 . 16629 1 1183 . 1 1 94 94 LEU HD23 H 1 0.285 0.005 . . . . . . 94 LEU QD2 . 16629 1 1184 . 1 1 94 94 LEU HG H 1 1.360 0.004 . 1 . . . . 94 LEU HG . 16629 1 1185 . 1 1 94 94 LEU C C 13 175.610 0.011 . 1 . . . . 94 LEU C . 16629 1 1186 . 1 1 94 94 LEU CA C 13 54.848 0.063 . 1 . . . . 94 LEU CA . 16629 1 1187 . 1 1 94 94 LEU CB C 13 42.527 0.056 . 1 . . . . 94 LEU CB . 16629 1 1188 . 1 1 94 94 LEU CD1 C 13 22.817 0.023 . 2 . . . . 94 LEU CD1 . 16629 1 1189 . 1 1 94 94 LEU CD2 C 13 26.321 0.030 . 2 . . . . 94 LEU CD2 . 16629 1 1190 . 1 1 94 94 LEU CG C 13 26.231 0.057 . 1 . . . . 94 LEU CG . 16629 1 1191 . 1 1 94 94 LEU N N 15 125.052 0.142 . 1 . . . . 94 LEU N . 16629 1 1192 . 1 1 95 95 GLU H H 1 7.061 0.005 . 1 . . . . 95 GLU H . 16629 1 1193 . 1 1 95 95 GLU HA H 1 4.616 0.003 . 1 . . . . 95 GLU HA . 16629 1 1194 . 1 1 95 95 GLU HB2 H 1 1.974 0.003 . 2 . . . . 95 GLU HB2 . 16629 1 1195 . 1 1 95 95 GLU HB3 H 1 1.847 0.005 . 2 . . . . 95 GLU HB3 . 16629 1 1196 . 1 1 95 95 GLU HG2 H 1 2.235 0.006 . 2 . . . . 95 GLU QG . 16629 1 1197 . 1 1 95 95 GLU HG3 H 1 2.235 0.006 . 2 . . . . 95 GLU QG . 16629 1 1198 . 1 1 95 95 GLU C C 13 175.542 0.023 . 1 . . . . 95 GLU C . 16629 1 1199 . 1 1 95 95 GLU CA C 13 54.828 0.151 . 1 . . . . 95 GLU CA . 16629 1 1200 . 1 1 95 95 GLU CB C 13 33.705 0.144 . 1 . . . . 95 GLU CB . 16629 1 1201 . 1 1 95 95 GLU CG C 13 35.984 0.000 . 1 . . . . 95 GLU CG . 16629 1 1202 . 1 1 95 95 GLU N N 15 119.147 0.135 . 1 . . . . 95 GLU N . 16629 1 1203 . 1 1 96 96 LYS H H 1 9.173 0.005 . 1 . . . . 96 LYS H . 16629 1 1204 . 1 1 96 96 LYS HA H 1 3.789 0.013 . 1 . . . . 96 LYS HA . 16629 1 1205 . 1 1 96 96 LYS HB2 H 1 1.772 0.011 . 2 . . . . 96 LYS QB . 16629 1 1206 . 1 1 96 96 LYS HB3 H 1 1.772 0.011 . 2 . . . . 96 LYS QB . 16629 1 1207 . 1 1 96 96 LYS HD2 H 1 1.721 0.005 . 2 . . . . 96 LYS QD . 16629 1 1208 . 1 1 96 96 LYS HD3 H 1 1.721 0.005 . 2 . . . . 96 LYS QD . 16629 1 1209 . 1 1 96 96 LYS HE2 H 1 2.901 0.011 . 2 . . . . 96 LYS QE . 16629 1 1210 . 1 1 96 96 LYS HE3 H 1 2.901 0.011 . 2 . . . . 96 LYS QE . 16629 1 1211 . 1 1 96 96 LYS HG2 H 1 1.205 0.004 . 2 . . . . 96 LYS HG2 . 16629 1 1212 . 1 1 96 96 LYS HG3 H 1 1.567 0.009 . 2 . . . . 96 LYS HG3 . 16629 1 1213 . 1 1 96 96 LYS C C 13 177.668 0.008 . 1 . . . . 96 LYS C . 16629 1 1214 . 1 1 96 96 LYS CA C 13 59.359 0.132 . 1 . . . . 96 LYS CA . 16629 1 1215 . 1 1 96 96 LYS CB C 13 32.049 0.107 . 1 . . . . 96 LYS CB . 16629 1 1216 . 1 1 96 96 LYS CD C 13 29.444 0.035 . 1 . . . . 96 LYS CD . 16629 1 1217 . 1 1 96 96 LYS CE C 13 41.654 0.006 . 1 . . . . 96 LYS CE . 16629 1 1218 . 1 1 96 96 LYS CG C 13 26.605 0.027 . 1 . . . . 96 LYS CG . 16629 1 1219 . 1 1 96 96 LYS N N 15 124.229 0.115 . 1 . . . . 96 LYS N . 16629 1 1220 . 1 1 97 97 GLY H H 1 9.387 0.004 . 1 . . . . 97 GLY H . 16629 1 1221 . 1 1 97 97 GLY HA2 H 1 4.330 0.018 . 2 . . . . 97 GLY HA2 . 16629 1 1222 . 1 1 97 97 GLY HA3 H 1 3.521 0.011 . 2 . . . . 97 GLY HA3 . 16629 1 1223 . 1 1 97 97 GLY C C 13 173.799 0.023 . 1 . . . . 97 GLY C . 16629 1 1224 . 1 1 97 97 GLY CA C 13 45.083 0.134 . 1 . . . . 97 GLY CA . 16629 1 1225 . 1 1 97 97 GLY N N 15 112.936 0.105 . 1 . . . . 97 GLY N . 16629 1 1226 . 1 1 98 98 MET H H 1 7.463 0.006 . 1 . . . . 98 MET H . 16629 1 1227 . 1 1 98 98 MET HA H 1 4.401 0.012 . 1 . . . . 98 MET HA . 16629 1 1228 . 1 1 98 98 MET HB2 H 1 2.298 0.012 . 2 . . . . 98 MET HB2 . 16629 1 1229 . 1 1 98 98 MET HB3 H 1 1.992 0.011 . 2 . . . . 98 MET HB3 . 16629 1 1230 . 1 1 98 98 MET HE1 H 1 2.115 0.000 . . . . . . 98 MET QE . 16629 1 1231 . 1 1 98 98 MET HE2 H 1 2.115 0.000 . . . . . . 98 MET QE . 16629 1 1232 . 1 1 98 98 MET HE3 H 1 2.115 0.000 . . . . . . 98 MET QE . 16629 1 1233 . 1 1 98 98 MET HG2 H 1 2.674 0.010 . 2 . . . . 98 MET HG2 . 16629 1 1234 . 1 1 98 98 MET HG3 H 1 2.352 0.006 . 2 . . . . 98 MET HG3 . 16629 1 1235 . 1 1 98 98 MET C C 13 174.332 0.005 . 1 . . . . 98 MET C . 16629 1 1236 . 1 1 98 98 MET CA C 13 56.030 0.084 . 1 . . . . 98 MET CA . 16629 1 1237 . 1 1 98 98 MET CB C 13 34.673 0.094 . 1 . . . . 98 MET CB . 16629 1 1238 . 1 1 98 98 MET CE C 13 17.287 0.000 . 1 . . . . 98 MET CE . 16629 1 1239 . 1 1 98 98 MET CG C 13 31.398 0.047 . 1 . . . . 98 MET CG . 16629 1 1240 . 1 1 98 98 MET N N 15 119.943 0.137 . 1 . . . . 98 MET N . 16629 1 1241 . 1 1 99 99 SER H H 1 8.483 0.004 . 1 . . . . 99 SER H . 16629 1 1242 . 1 1 99 99 SER HA H 1 5.205 0.014 . 1 . . . . 99 SER HA . 16629 1 1243 . 1 1 99 99 SER HB2 H 1 3.693 0.006 . 2 . . . . 99 SER HB2 . 16629 1 1244 . 1 1 99 99 SER HB3 H 1 3.541 0.008 . 2 . . . . 99 SER HB3 . 16629 1 1245 . 1 1 99 99 SER C C 13 174.058 0.010 . 1 . . . . 99 SER C . 16629 1 1246 . 1 1 99 99 SER CA C 13 58.005 0.111 . 1 . . . . 99 SER CA . 16629 1 1247 . 1 1 99 99 SER CB C 13 64.587 0.096 . 1 . . . . 99 SER CB . 16629 1 1248 . 1 1 99 99 SER N N 15 118.303 0.171 . 1 . . . . 99 SER N . 16629 1 1249 . 1 1 100 100 VAL H H 1 8.611 0.006 . 1 . . . . 100 VAL H . 16629 1 1250 . 1 1 100 100 VAL HA H 1 4.427 0.012 . 1 . . . . 100 VAL HA . 16629 1 1251 . 1 1 100 100 VAL HB H 1 2.060 0.006 . 1 . . . . 100 VAL HB . 16629 1 1252 . 1 1 100 100 VAL HG11 H 1 0.793 0.003 . . . . . . 100 VAL QG1 . 16629 1 1253 . 1 1 100 100 VAL HG12 H 1 0.793 0.003 . . . . . . 100 VAL QG1 . 16629 1 1254 . 1 1 100 100 VAL HG13 H 1 0.793 0.003 . . . . . . 100 VAL QG1 . 16629 1 1255 . 1 1 100 100 VAL HG21 H 1 0.631 0.003 . . . . . . 100 VAL QG2 . 16629 1 1256 . 1 1 100 100 VAL HG22 H 1 0.631 0.003 . . . . . . 100 VAL QG2 . 16629 1 1257 . 1 1 100 100 VAL HG23 H 1 0.631 0.003 . . . . . . 100 VAL QG2 . 16629 1 1258 . 1 1 100 100 VAL C C 13 174.172 0.007 . 1 . . . . 100 VAL C . 16629 1 1259 . 1 1 100 100 VAL CA C 13 59.996 0.097 . 1 . . . . 100 VAL CA . 16629 1 1260 . 1 1 100 100 VAL CB C 13 35.182 0.072 . 1 . . . . 100 VAL CB . 16629 1 1261 . 1 1 100 100 VAL CG1 C 13 21.887 0.017 . 2 . . . . 100 VAL CG1 . 16629 1 1262 . 1 1 100 100 VAL CG2 C 13 19.249 0.023 . 2 . . . . 100 VAL CG2 . 16629 1 1263 . 1 1 100 100 VAL N N 15 119.564 0.175 . 1 . . . . 100 VAL N . 16629 1 1264 . 1 1 101 101 PHE H H 1 8.633 0.007 . 1 . . . . 101 PHE H . 16629 1 1265 . 1 1 101 101 PHE HA H 1 5.248 0.014 . 1 . . . . 101 PHE HA . 16629 1 1266 . 1 1 101 101 PHE HB2 H 1 3.107 0.008 . 2 . . . . 101 PHE HB2 . 16629 1 1267 . 1 1 101 101 PHE HB3 H 1 2.963 0.010 . 2 . . . . 101 PHE HB3 . 16629 1 1268 . 1 1 101 101 PHE HD1 H 1 7.208 0.010 . 3 . . . . 101 PHE QD . 16629 1 1269 . 1 1 101 101 PHE HD2 H 1 7.208 0.010 . 3 . . . . 101 PHE QD . 16629 1 1270 . 1 1 101 101 PHE HE1 H 1 7.305 0.010 . 3 . . . . 101 PHE QE . 16629 1 1271 . 1 1 101 101 PHE HE2 H 1 7.305 0.010 . 3 . . . . 101 PHE QE . 16629 1 1272 . 1 1 101 101 PHE C C 13 176.301 0.015 . 1 . . . . 101 PHE C . 16629 1 1273 . 1 1 101 101 PHE CA C 13 57.251 0.096 . 1 . . . . 101 PHE CA . 16629 1 1274 . 1 1 101 101 PHE CB C 13 40.846 0.081 . 1 . . . . 101 PHE CB . 16629 1 1275 . 1 1 101 101 PHE CD1 C 13 131.555 0.005 . 3 . . . . 101 PHE CD1 . 16629 1 1276 . 1 1 101 101 PHE CE1 C 13 131.468 0.048 . 3 . . . . 101 PHE CE1 . 16629 1 1277 . 1 1 101 101 PHE N N 15 121.007 0.145 . 1 . . . . 101 PHE N . 16629 1 1278 . 1 1 102 102 GLY H H 1 8.807 0.004 . 1 . . . . 102 GLY H . 16629 1 1279 . 1 1 102 102 GLY HA2 H 1 4.464 0.006 . 2 . . . . 102 GLY HA2 . 16629 1 1280 . 1 1 102 102 GLY HA3 H 1 3.889 0.009 . 2 . . . . 102 GLY HA3 . 16629 1 1281 . 1 1 102 102 GLY C C 13 172.717 0.004 . 1 . . . . 102 GLY C . 16629 1 1282 . 1 1 102 102 GLY CA C 13 44.470 0.168 . 1 . . . . 102 GLY CA . 16629 1 1283 . 1 1 102 102 GLY N N 15 110.270 0.147 . 1 . . . . 102 GLY N . 16629 1 1284 . 1 1 103 103 GLN H H 1 8.488 0.005 . 1 . . . . 103 GLN H . 16629 1 1285 . 1 1 103 103 GLN HA H 1 5.246 0.013 . 1 . . . . 103 GLN HA . 16629 1 1286 . 1 1 103 103 GLN HB2 H 1 2.101 0.009 . 2 . . . . 103 GLN HB2 . 16629 1 1287 . 1 1 103 103 GLN HB3 H 1 1.956 0.007 . 2 . . . . 103 GLN HB3 . 16629 1 1288 . 1 1 103 103 GLN HE21 H 1 6.721 0.005 . 2 . . . . 103 GLN HE21 . 16629 1 1289 . 1 1 103 103 GLN HE22 H 1 7.422 0.004 . 2 . . . . 103 GLN HE22 . 16629 1 1290 . 1 1 103 103 GLN HG2 H 1 2.320 0.009 . 2 . . . . 103 GLN QG . 16629 1 1291 . 1 1 103 103 GLN HG3 H 1 2.320 0.009 . 2 . . . . 103 GLN QG . 16629 1 1292 . 1 1 103 103 GLN C C 13 176.746 0.005 . 1 . . . . 103 GLN C . 16629 1 1293 . 1 1 103 103 GLN CA C 13 54.767 0.109 . 1 . . . . 103 GLN CA . 16629 1 1294 . 1 1 103 103 GLN CB C 13 31.850 0.082 . 1 . . . . 103 GLN CB . 16629 1 1295 . 1 1 103 103 GLN CD C 13 180.516 0.011 . 1 . . . . 103 GLN CD . 16629 1 1296 . 1 1 103 103 GLN CG C 13 34.076 0.130 . 1 . . . . 103 GLN CG . 16629 1 1297 . 1 1 103 103 GLN N N 15 119.190 0.153 . 1 . . . . 103 GLN N . 16629 1 1298 . 1 1 103 103 GLN NE2 N 15 111.555 0.124 . 1 . . . . 103 GLN NE2 . 16629 1 1299 . 1 1 104 104 THR H H 1 8.698 0.008 . 1 . . . . 104 THR H . 16629 1 1300 . 1 1 104 104 THR HA H 1 4.554 0.009 . 1 . . . . 104 THR HA . 16629 1 1301 . 1 1 104 104 THR HB H 1 4.554 0.005 . 1 . . . . 104 THR HB . 16629 1 1302 . 1 1 104 104 THR HG21 H 1 1.150 0.006 . . . . . . 104 THR QG2 . 16629 1 1303 . 1 1 104 104 THR HG22 H 1 1.150 0.006 . . . . . . 104 THR QG2 . 16629 1 1304 . 1 1 104 104 THR HG23 H 1 1.150 0.006 . . . . . . 104 THR QG2 . 16629 1 1305 . 1 1 104 104 THR C C 13 176.397 0.047 . 1 . . . . 104 THR C . 16629 1 1306 . 1 1 104 104 THR CA C 13 60.838 0.184 . 1 . . . . 104 THR CA . 16629 1 1307 . 1 1 104 104 THR CB C 13 71.107 0.098 . 1 . . . . 104 THR CB . 16629 1 1308 . 1 1 104 104 THR CG2 C 13 22.018 0.038 . 1 . . . . 104 THR CG2 . 16629 1 1309 . 1 1 104 104 THR N N 15 114.292 0.145 . 1 . . . . 104 THR N . 16629 1 1310 . 1 1 105 105 GLU H H 1 9.031 0.006 . 1 . . . . 105 GLU H . 16629 1 1311 . 1 1 105 105 GLU HA H 1 4.175 0.009 . 1 . . . . 105 GLU HA . 16629 1 1312 . 1 1 105 105 GLU HB2 H 1 2.062 0.010 . 2 . . . . 105 GLU QB . 16629 1 1313 . 1 1 105 105 GLU HB3 H 1 2.062 0.010 . 2 . . . . 105 GLU QB . 16629 1 1314 . 1 1 105 105 GLU HG2 H 1 2.302 0.015 . 2 . . . . 105 GLU QG . 16629 1 1315 . 1 1 105 105 GLU HG3 H 1 2.302 0.015 . 2 . . . . 105 GLU QG . 16629 1 1316 . 1 1 105 105 GLU C C 13 176.488 0.034 . 1 . . . . 105 GLU C . 16629 1 1317 . 1 1 105 105 GLU CA C 13 58.578 0.125 . 1 . . . . 105 GLU CA . 16629 1 1318 . 1 1 105 105 GLU CB C 13 29.576 0.096 . 1 . . . . 105 GLU CB . 16629 1 1319 . 1 1 105 105 GLU CG C 13 36.341 0.063 . 1 . . . . 105 GLU CG . 16629 1 1320 . 1 1 105 105 GLU N N 15 121.295 0.130 . 1 . . . . 105 GLU N . 16629 1 1321 . 1 1 106 106 ASP H H 1 8.081 0.007 . 1 . . . . 106 ASP H . 16629 1 1322 . 1 1 106 106 ASP HA H 1 4.665 0.012 . 1 . . . . 106 ASP HA . 16629 1 1323 . 1 1 106 106 ASP HB2 H 1 2.746 0.013 . 2 . . . . 106 ASP HB2 . 16629 1 1324 . 1 1 106 106 ASP HB3 H 1 2.665 0.008 . 2 . . . . 106 ASP HB3 . 16629 1 1325 . 1 1 106 106 ASP C C 13 175.312 0.003 . 1 . . . . 106 ASP C . 16629 1 1326 . 1 1 106 106 ASP CA C 13 53.684 0.137 . 1 . . . . 106 ASP CA . 16629 1 1327 . 1 1 106 106 ASP CB C 13 39.952 0.053 . 1 . . . . 106 ASP CB . 16629 1 1328 . 1 1 106 106 ASP N N 15 116.516 0.139 . 1 . . . . 106 ASP N . 16629 1 1329 . 1 1 107 107 ASN H H 1 8.106 0.007 . 1 . . . . 107 ASN H . 16629 1 1330 . 1 1 107 107 ASN HA H 1 4.362 0.010 . 1 . . . . 107 ASN HA . 16629 1 1331 . 1 1 107 107 ASN HB2 H 1 3.020 0.009 . 2 . . . . 107 ASN HB2 . 16629 1 1332 . 1 1 107 107 ASN HB3 H 1 2.830 0.012 . 2 . . . . 107 ASN HB3 . 16629 1 1333 . 1 1 107 107 ASN HD21 H 1 7.521 0.004 . 2 . . . . 107 ASN HD21 . 16629 1 1334 . 1 1 107 107 ASN HD22 H 1 6.817 0.003 . 2 . . . . 107 ASN HD22 . 16629 1 1335 . 1 1 107 107 ASN C C 13 174.643 0.009 . 1 . . . . 107 ASN C . 16629 1 1336 . 1 1 107 107 ASN CA C 13 54.593 0.110 . 1 . . . . 107 ASN CA . 16629 1 1337 . 1 1 107 107 ASN CB C 13 37.353 0.125 . 1 . . . . 107 ASN CB . 16629 1 1338 . 1 1 107 107 ASN CG C 13 178.046 0.017 . 1 . . . . 107 ASN CG . 16629 1 1339 . 1 1 107 107 ASN N N 15 114.586 0.126 . 1 . . . . 107 ASN N . 16629 1 1340 . 1 1 107 107 ASN ND2 N 15 112.321 0.096 . 1 . . . . 107 ASN ND2 . 16629 1 1341 . 1 1 108 108 GLN H H 1 7.888 0.005 . 1 . . . . 108 GLN H . 16629 1 1342 . 1 1 108 108 GLN HA H 1 4.557 0.013 . 1 . . . . 108 GLN HA . 16629 1 1343 . 1 1 108 108 GLN HB2 H 1 2.113 0.008 . 2 . . . . 108 GLN HB2 . 16629 1 1344 . 1 1 108 108 GLN HB3 H 1 1.966 0.009 . 2 . . . . 108 GLN HB3 . 16629 1 1345 . 1 1 108 108 GLN HE21 H 1 7.635 0.003 . 2 . . . . 108 GLN HE21 . 16629 1 1346 . 1 1 108 108 GLN HE22 H 1 6.846 0.005 . 2 . . . . 108 GLN HE22 . 16629 1 1347 . 1 1 108 108 GLN HG2 H 1 2.304 0.006 . 2 . . . . 108 GLN HG2 . 16629 1 1348 . 1 1 108 108 GLN HG3 H 1 2.211 0.008 . 2 . . . . 108 GLN HG3 . 16629 1 1349 . 1 1 108 108 GLN C C 13 175.766 0.001 . 1 . . . . 108 GLN C . 16629 1 1350 . 1 1 108 108 GLN CA C 13 55.213 0.093 . 1 . . . . 108 GLN CA . 16629 1 1351 . 1 1 108 108 GLN CB C 13 29.902 0.062 . 1 . . . . 108 GLN CB . 16629 1 1352 . 1 1 108 108 GLN CD C 13 180.630 0.006 . 1 . . . . 108 GLN CD . 16629 1 1353 . 1 1 108 108 GLN CG C 13 33.947 0.129 . 1 . . . . 108 GLN CG . 16629 1 1354 . 1 1 108 108 GLN N N 15 117.532 0.128 . 1 . . . . 108 GLN N . 16629 1 1355 . 1 1 108 108 GLN NE2 N 15 113.363 0.142 . 1 . . . . 108 GLN NE2 . 16629 1 1356 . 1 1 109 109 THR H H 1 8.568 0.009 . 1 . . . . 109 THR H . 16629 1 1357 . 1 1 109 109 THR HA H 1 4.821 0.010 . 1 . . . . 109 THR HA . 16629 1 1358 . 1 1 109 109 THR HB H 1 4.096 0.005 . 1 . . . . 109 THR HB . 16629 1 1359 . 1 1 109 109 THR HG21 H 1 1.257 0.010 . . . . . . 109 THR QG2 . 16629 1 1360 . 1 1 109 109 THR HG22 H 1 1.257 0.010 . . . . . . 109 THR QG2 . 16629 1 1361 . 1 1 109 109 THR HG23 H 1 1.257 0.010 . . . . . . 109 THR QG2 . 16629 1 1362 . 1 1 109 109 THR C C 13 174.369 0.029 . 1 . . . . 109 THR C . 16629 1 1363 . 1 1 109 109 THR CA C 13 62.618 0.127 . 1 . . . . 109 THR CA . 16629 1 1364 . 1 1 109 109 THR CB C 13 69.798 0.114 . 1 . . . . 109 THR CB . 16629 1 1365 . 1 1 109 109 THR CG2 C 13 22.064 0.023 . 1 . . . . 109 THR CG2 . 16629 1 1366 . 1 1 109 109 THR N N 15 117.799 0.139 . 1 . . . . 109 THR N . 16629 1 1367 . 1 1 110 110 ILE H H 1 8.627 0.006 . 1 . . . . 110 ILE H . 16629 1 1368 . 1 1 110 110 ILE HA H 1 4.565 0.009 . 1 . . . . 110 ILE HA . 16629 1 1369 . 1 1 110 110 ILE HB H 1 1.805 0.003 . 1 . . . . 110 ILE HB . 16629 1 1370 . 1 1 110 110 ILE HD11 H 1 0.737 0.006 . . . . . . 110 ILE QD1 . 16629 1 1371 . 1 1 110 110 ILE HD12 H 1 0.737 0.006 . . . . . . 110 ILE QD1 . 16629 1 1372 . 1 1 110 110 ILE HD13 H 1 0.737 0.006 . . . . . . 110 ILE QD1 . 16629 1 1373 . 1 1 110 110 ILE HG12 H 1 1.450 0.006 . 2 . . . . 110 ILE HG12 . 16629 1 1374 . 1 1 110 110 ILE HG13 H 1 1.081 0.004 . 2 . . . . 110 ILE HG13 . 16629 1 1375 . 1 1 110 110 ILE HG21 H 1 0.893 0.002 . . . . . . 110 ILE QG2 . 16629 1 1376 . 1 1 110 110 ILE HG22 H 1 0.893 0.002 . . . . . . 110 ILE QG2 . 16629 1 1377 . 1 1 110 110 ILE HG23 H 1 0.893 0.002 . . . . . . 110 ILE QG2 . 16629 1 1378 . 1 1 110 110 ILE C C 13 174.188 0.027 . 1 . . . . 110 ILE C . 16629 1 1379 . 1 1 110 110 ILE CA C 13 60.074 0.078 . 1 . . . . 110 ILE CA . 16629 1 1380 . 1 1 110 110 ILE CB C 13 41.040 0.071 . 1 . . . . 110 ILE CB . 16629 1 1381 . 1 1 110 110 ILE CD1 C 13 13.323 0.031 . 1 . . . . 110 ILE CD1 . 16629 1 1382 . 1 1 110 110 ILE CG1 C 13 27.031 0.104 . 1 . . . . 110 ILE CG1 . 16629 1 1383 . 1 1 110 110 ILE CG2 C 13 17.688 0.017 . 1 . . . . 110 ILE CG2 . 16629 1 1384 . 1 1 110 110 ILE N N 15 124.899 0.111 . 1 . . . . 110 ILE N . 16629 1 1385 . 1 1 111 111 GLN H H 1 8.559 0.006 . 1 . . . . 111 GLN H . 16629 1 1386 . 1 1 111 111 GLN HA H 1 4.607 0.014 . 1 . . . . 111 GLN HA . 16629 1 1387 . 1 1 111 111 GLN HB2 H 1 1.918 0.007 . 2 . . . . 111 GLN QB . 16629 1 1388 . 1 1 111 111 GLN HB3 H 1 1.918 0.007 . 2 . . . . 111 GLN QB . 16629 1 1389 . 1 1 111 111 GLN HE21 H 1 7.280 0.004 . 2 . . . . 111 GLN HE21 . 16629 1 1390 . 1 1 111 111 GLN HE22 H 1 6.753 0.004 . 2 . . . . 111 GLN HE22 . 16629 1 1391 . 1 1 111 111 GLN HG2 H 1 2.043 0.004 . 2 . . . . 111 GLN HG2 . 16629 1 1392 . 1 1 111 111 GLN HG3 H 1 1.875 0.002 . 2 . . . . 111 GLN HG3 . 16629 1 1393 . 1 1 111 111 GLN C C 13 173.784 0.004 . 1 . . . . 111 GLN C . 16629 1 1394 . 1 1 111 111 GLN CA C 13 55.362 0.113 . 1 . . . . 111 GLN CA . 16629 1 1395 . 1 1 111 111 GLN CB C 13 30.722 0.148 . 1 . . . . 111 GLN CB . 16629 1 1396 . 1 1 111 111 GLN CD C 13 180.061 0.010 . 1 . . . . 111 GLN CD . 16629 1 1397 . 1 1 111 111 GLN CG C 13 34.065 0.116 . 1 . . . . 111 GLN CG . 16629 1 1398 . 1 1 111 111 GLN N N 15 124.944 0.162 . 1 . . . . 111 GLN N . 16629 1 1399 . 1 1 111 111 GLN NE2 N 15 111.185 0.131 . 1 . . . . 111 GLN NE2 . 16629 1 1400 . 1 1 112 112 ALA H H 1 8.584 0.015 . 1 . . . . 112 ALA H . 16629 1 1401 . 1 1 112 112 ALA HA H 1 4.612 0.017 . 1 . . . . 112 ALA HA . 16629 1 1402 . 1 1 112 112 ALA HB1 H 1 0.590 0.010 . . . . . . 112 ALA QB . 16629 1 1403 . 1 1 112 112 ALA HB2 H 1 0.590 0.010 . . . . . . 112 ALA QB . 16629 1 1404 . 1 1 112 112 ALA HB3 H 1 0.590 0.010 . . . . . . 112 ALA QB . 16629 1 1405 . 1 1 112 112 ALA C C 13 175.565 0.008 . 1 . . . . 112 ALA C . 16629 1 1406 . 1 1 112 112 ALA CA C 13 50.247 0.275 . 1 . . . . 112 ALA CA . 16629 1 1407 . 1 1 112 112 ALA CB C 13 22.598 0.075 . 1 . . . . 112 ALA CB . 16629 1 1408 . 1 1 112 112 ALA N N 15 126.745 0.212 . 1 . . . . 112 ALA N . 16629 1 1409 . 1 1 113 113 ILE H H 1 7.849 0.009 . 1 . . . . 113 ILE H . 16629 1 1410 . 1 1 113 113 ILE HA H 1 4.923 0.012 . 1 . . . . 113 ILE HA . 16629 1 1411 . 1 1 113 113 ILE HB H 1 1.664 0.011 . 1 . . . . 113 ILE HB . 16629 1 1412 . 1 1 113 113 ILE HD11 H 1 0.736 0.003 . . . . . . 113 ILE QD1 . 16629 1 1413 . 1 1 113 113 ILE HD12 H 1 0.736 0.003 . . . . . . 113 ILE QD1 . 16629 1 1414 . 1 1 113 113 ILE HD13 H 1 0.736 0.003 . . . . . . 113 ILE QD1 . 16629 1 1415 . 1 1 113 113 ILE HG12 H 1 1.391 0.004 . 2 . . . . 113 ILE HG12 . 16629 1 1416 . 1 1 113 113 ILE HG13 H 1 1.174 0.006 . 2 . . . . 113 ILE HG13 . 16629 1 1417 . 1 1 113 113 ILE HG21 H 1 0.727 0.006 . . . . . . 113 ILE QG2 . 16629 1 1418 . 1 1 113 113 ILE HG22 H 1 0.727 0.006 . . . . . . 113 ILE QG2 . 16629 1 1419 . 1 1 113 113 ILE HG23 H 1 0.727 0.006 . . . . . . 113 ILE QG2 . 16629 1 1420 . 1 1 113 113 ILE C C 13 176.527 0.016 . 1 . . . . 113 ILE C . 16629 1 1421 . 1 1 113 113 ILE CA C 13 58.408 0.096 . 1 . . . . 113 ILE CA . 16629 1 1422 . 1 1 113 113 ILE CB C 13 41.311 0.057 . 1 . . . . 113 ILE CB . 16629 1 1423 . 1 1 113 113 ILE CD1 C 13 12.313 0.017 . 1 . . . . 113 ILE CD1 . 16629 1 1424 . 1 1 113 113 ILE CG1 C 13 27.350 0.028 . 1 . . . . 113 ILE CG1 . 16629 1 1425 . 1 1 113 113 ILE CG2 C 13 17.475 0.052 . 1 . . . . 113 ILE CG2 . 16629 1 1426 . 1 1 113 113 ILE N N 15 117.262 0.168 . 1 . . . . 113 ILE N . 16629 1 1427 . 1 1 114 114 ILE H H 1 8.587 0.009 . 1 . . . . 114 ILE H . 16629 1 1428 . 1 1 114 114 ILE HA H 1 4.115 0.008 . 1 . . . . 114 ILE HA . 16629 1 1429 . 1 1 114 114 ILE HB H 1 2.194 0.009 . 1 . . . . 114 ILE HB . 16629 1 1430 . 1 1 114 114 ILE HD11 H 1 0.430 0.006 . . . . . . 114 ILE QD1 . 16629 1 1431 . 1 1 114 114 ILE HD12 H 1 0.430 0.006 . . . . . . 114 ILE QD1 . 16629 1 1432 . 1 1 114 114 ILE HD13 H 1 0.430 0.006 . . . . . . 114 ILE QD1 . 16629 1 1433 . 1 1 114 114 ILE HG12 H 1 1.348 0.004 . 2 . . . . 114 ILE HG12 . 16629 1 1434 . 1 1 114 114 ILE HG13 H 1 1.059 0.002 . 2 . . . . 114 ILE HG13 . 16629 1 1435 . 1 1 114 114 ILE HG21 H 1 0.739 0.004 . . . . . . 114 ILE QG2 . 16629 1 1436 . 1 1 114 114 ILE HG22 H 1 0.739 0.004 . . . . . . 114 ILE QG2 . 16629 1 1437 . 1 1 114 114 ILE HG23 H 1 0.739 0.004 . . . . . . 114 ILE QG2 . 16629 1 1438 . 1 1 114 114 ILE C C 13 175.561 0.006 . 1 . . . . 114 ILE C . 16629 1 1439 . 1 1 114 114 ILE CA C 13 60.735 0.096 . 1 . . . . 114 ILE CA . 16629 1 1440 . 1 1 114 114 ILE CB C 13 36.371 0.080 . 1 . . . . 114 ILE CB . 16629 1 1441 . 1 1 114 114 ILE CD1 C 13 12.227 0.023 . 1 . . . . 114 ILE CD1 . 16629 1 1442 . 1 1 114 114 ILE CG1 C 13 27.223 0.020 . 1 . . . . 114 ILE CG1 . 16629 1 1443 . 1 1 114 114 ILE CG2 C 13 17.747 0.014 . 1 . . . . 114 ILE CG2 . 16629 1 1444 . 1 1 114 114 ILE N N 15 124.705 0.163 . 1 . . . . 114 ILE N . 16629 1 1445 . 1 1 115 115 LYS H H 1 9.073 0.007 . 1 . . . . 115 LYS H . 16629 1 1446 . 1 1 115 115 LYS HA H 1 4.439 0.017 . 1 . . . . 115 LYS HA . 16629 1 1447 . 1 1 115 115 LYS HB2 H 1 1.790 0.010 . 2 . . . . 115 LYS HB2 . 16629 1 1448 . 1 1 115 115 LYS HB3 H 1 1.648 0.013 . 2 . . . . 115 LYS HB3 . 16629 1 1449 . 1 1 115 115 LYS HD2 H 1 1.713 0.005 . 2 . . . . 115 LYS QD . 16629 1 1450 . 1 1 115 115 LYS HD3 H 1 1.713 0.005 . 2 . . . . 115 LYS QD . 16629 1 1451 . 1 1 115 115 LYS HE2 H 1 3.018 0.006 . 2 . . . . 115 LYS QE . 16629 1 1452 . 1 1 115 115 LYS HE3 H 1 3.018 0.006 . 2 . . . . 115 LYS QE . 16629 1 1453 . 1 1 115 115 LYS HG2 H 1 1.461 0.012 . 2 . . . . 115 LYS HG2 . 16629 1 1454 . 1 1 115 115 LYS HG3 H 1 1.540 0.000 . 2 . . . . 115 LYS HG3 . 16629 1 1455 . 1 1 115 115 LYS C C 13 175.894 0.025 . 1 . . . . 115 LYS C . 16629 1 1456 . 1 1 115 115 LYS CA C 13 56.262 0.132 . 1 . . . . 115 LYS CA . 16629 1 1457 . 1 1 115 115 LYS CB C 13 33.816 0.097 . 1 . . . . 115 LYS CB . 16629 1 1458 . 1 1 115 115 LYS CD C 13 28.415 0.133 . 1 . . . . 115 LYS CD . 16629 1 1459 . 1 1 115 115 LYS CE C 13 41.706 0.000 . 1 . . . . 115 LYS CE . 16629 1 1460 . 1 1 115 115 LYS CG C 13 24.840 0.032 . 1 . . . . 115 LYS CG . 16629 1 1461 . 1 1 115 115 LYS N N 15 130.813 0.112 . 1 . . . . 115 LYS N . 16629 1 1462 . 1 1 116 116 ASP H H 1 8.005 0.006 . 1 . . . . 116 ASP H . 16629 1 1463 . 1 1 116 116 ASP HA H 1 4.514 0.012 . 1 . . . . 116 ASP HA . 16629 1 1464 . 1 1 116 116 ASP HB2 H 1 2.702 0.012 . 2 . . . . 116 ASP HB2 . 16629 1 1465 . 1 1 116 116 ASP HB3 H 1 2.488 0.014 . 2 . . . . 116 ASP HB3 . 16629 1 1466 . 1 1 116 116 ASP C C 13 173.804 0.019 . 1 . . . . 116 ASP C . 16629 1 1467 . 1 1 116 116 ASP CA C 13 52.828 0.113 . 1 . . . . 116 ASP CA . 16629 1 1468 . 1 1 116 116 ASP CB C 13 43.363 0.042 . 1 . . . . 116 ASP CB . 16629 1 1469 . 1 1 116 116 ASP N N 15 113.898 0.127 . 1 . . . . 116 ASP N . 16629 1 1470 . 1 1 117 117 PHE H H 1 8.713 0.009 . 1 . . . . 117 PHE H . 16629 1 1471 . 1 1 117 117 PHE HA H 1 5.154 0.012 . 1 . . . . 117 PHE HA . 16629 1 1472 . 1 1 117 117 PHE HB2 H 1 3.389 0.013 . 2 . . . . 117 PHE HB2 . 16629 1 1473 . 1 1 117 117 PHE HB3 H 1 3.136 0.011 . 2 . . . . 117 PHE HB3 . 16629 1 1474 . 1 1 117 117 PHE HD1 H 1 6.776 0.009 . 3 . . . . 117 PHE QD . 16629 1 1475 . 1 1 117 117 PHE HD2 H 1 6.776 0.009 . 3 . . . . 117 PHE QD . 16629 1 1476 . 1 1 117 117 PHE HE1 H 1 7.065 0.003 . 3 . . . . 117 PHE QE . 16629 1 1477 . 1 1 117 117 PHE HE2 H 1 7.065 0.003 . 3 . . . . 117 PHE QE . 16629 1 1478 . 1 1 117 117 PHE C C 13 172.926 0.003 . 1 . . . . 117 PHE C . 16629 1 1479 . 1 1 117 117 PHE CA C 13 56.895 0.115 . 1 . . . . 117 PHE CA . 16629 1 1480 . 1 1 117 117 PHE CB C 13 41.067 0.080 . 1 . . . . 117 PHE CB . 16629 1 1481 . 1 1 117 117 PHE CD1 C 13 132.093 0.026 . 3 . . . . 117 PHE CD1 . 16629 1 1482 . 1 1 117 117 PHE N N 15 115.122 0.149 . 1 . . . . 117 PHE N . 16629 1 1483 . 1 1 118 118 SER H H 1 9.538 0.006 . 1 . . . . 118 SER H . 16629 1 1484 . 1 1 118 118 SER HA H 1 4.964 0.013 . 1 . . . . 118 SER HA . 16629 1 1485 . 1 1 118 118 SER HB2 H 1 4.505 0.004 . 2 . . . . 118 SER HB2 . 16629 1 1486 . 1 1 118 118 SER HB3 H 1 3.904 0.008 . 2 . . . . 118 SER HB3 . 16629 1 1487 . 1 1 118 118 SER C C 13 174.461 0.005 . 1 . . . . 118 SER C . 16629 1 1488 . 1 1 118 118 SER CA C 13 55.423 0.143 . 1 . . . . 118 SER CA . 16629 1 1489 . 1 1 118 118 SER CB C 13 67.199 0.116 . 1 . . . . 118 SER CB . 16629 1 1490 . 1 1 118 118 SER N N 15 118.971 0.167 . 1 . . . . 118 SER N . 16629 1 1491 . 1 1 119 119 ALA H H 1 8.812 0.005 . 1 . . . . 119 ALA H . 16629 1 1492 . 1 1 119 119 ALA HA H 1 4.282 0.009 . 1 . . . . 119 ALA HA . 16629 1 1493 . 1 1 119 119 ALA HB1 H 1 1.576 0.009 . . . . . . 119 ALA QB . 16629 1 1494 . 1 1 119 119 ALA HB2 H 1 1.576 0.009 . . . . . . 119 ALA QB . 16629 1 1495 . 1 1 119 119 ALA HB3 H 1 1.576 0.009 . . . . . . 119 ALA QB . 16629 1 1496 . 1 1 119 119 ALA C C 13 178.968 0.008 . 1 . . . . 119 ALA C . 16629 1 1497 . 1 1 119 119 ALA CA C 13 55.040 0.131 . 1 . . . . 119 ALA CA . 16629 1 1498 . 1 1 119 119 ALA CB C 13 19.067 0.128 . 1 . . . . 119 ALA CB . 16629 1 1499 . 1 1 119 119 ALA N N 15 119.766 0.110 . 1 . . . . 119 ALA N . 16629 1 1500 . 1 1 120 120 THR H H 1 8.113 0.005 . 1 . . . . 120 THR H . 16629 1 1501 . 1 1 120 120 THR HA H 1 4.454 0.008 . 1 . . . . 120 THR HA . 16629 1 1502 . 1 1 120 120 THR HB H 1 4.235 0.007 . 1 . . . . 120 THR HB . 16629 1 1503 . 1 1 120 120 THR HG21 H 1 1.177 0.009 . . . . . . 120 THR QG2 . 16629 1 1504 . 1 1 120 120 THR HG22 H 1 1.177 0.009 . . . . . . 120 THR QG2 . 16629 1 1505 . 1 1 120 120 THR HG23 H 1 1.177 0.009 . . . . . . 120 THR QG2 . 16629 1 1506 . 1 1 120 120 THR C C 13 175.891 0.020 . 1 . . . . 120 THR C . 16629 1 1507 . 1 1 120 120 THR CA C 13 62.179 0.124 . 1 . . . . 120 THR CA . 16629 1 1508 . 1 1 120 120 THR CB C 13 69.897 0.095 . 1 . . . . 120 THR CB . 16629 1 1509 . 1 1 120 120 THR CG2 C 13 20.940 0.018 . 1 . . . . 120 THR CG2 . 16629 1 1510 . 1 1 120 120 THR N N 15 102.350 0.138 . 1 . . . . 120 THR N . 16629 1 1511 . 1 1 121 121 HIS H H 1 8.103 0.004 . 1 . . . . 121 HIS H . 16629 1 1512 . 1 1 121 121 HIS HA H 1 5.290 0.013 . 1 . . . . 121 HIS HA . 16629 1 1513 . 1 1 121 121 HIS HB2 H 1 2.914 0.003 . 2 . . . . 121 HIS HB2 . 16629 1 1514 . 1 1 121 121 HIS HB3 H 1 2.767 0.008 . 2 . . . . 121 HIS HB3 . 16629 1 1515 . 1 1 121 121 HIS HD2 H 1 6.545 0.009 . 1 . . . . 121 HIS HD2 . 16629 1 1516 . 1 1 121 121 HIS HE1 H 1 7.716 0.014 . 1 . . . . 121 HIS HE1 . 16629 1 1517 . 1 1 121 121 HIS C C 13 172.520 0.007 . 1 . . . . 121 HIS C . 16629 1 1518 . 1 1 121 121 HIS CA C 13 57.293 0.103 . 1 . . . . 121 HIS CA . 16629 1 1519 . 1 1 121 121 HIS CB C 13 35.965 0.086 . 1 . . . . 121 HIS CB . 16629 1 1520 . 1 1 121 121 HIS CD2 C 13 118.076 0.030 . 1 . . . . 121 HIS CD2 . 16629 1 1521 . 1 1 121 121 HIS CE1 C 13 138.790 0.065 . 1 . . . . 121 HIS CE1 . 16629 1 1522 . 1 1 121 121 HIS N N 15 123.647 0.117 . 1 . . . . 121 HIS N . 16629 1 1523 . 1 1 122 122 VAL H H 1 9.696 0.008 . 1 . . . . 122 VAL H . 16629 1 1524 . 1 1 122 122 VAL HA H 1 4.369 0.006 . 1 . . . . 122 VAL HA . 16629 1 1525 . 1 1 122 122 VAL HB H 1 1.861 0.007 . 1 . . . . 122 VAL HB . 16629 1 1526 . 1 1 122 122 VAL HG11 H 1 0.697 0.008 . . . . . . 122 VAL QQG . 16629 1 1527 . 1 1 122 122 VAL HG12 H 1 0.697 0.008 . . . . . . 122 VAL QQG . 16629 1 1528 . 1 1 122 122 VAL HG13 H 1 0.697 0.008 . . . . . . 122 VAL QQG . 16629 1 1529 . 1 1 122 122 VAL HG21 H 1 0.697 0.008 . . . . . . 122 VAL QQG . 16629 1 1530 . 1 1 122 122 VAL HG22 H 1 0.697 0.008 . . . . . . 122 VAL QQG . 16629 1 1531 . 1 1 122 122 VAL HG23 H 1 0.697 0.008 . . . . . . 122 VAL QQG . 16629 1 1532 . 1 1 122 122 VAL C C 13 173.868 0.007 . 1 . . . . 122 VAL C . 16629 1 1533 . 1 1 122 122 VAL CA C 13 61.391 0.134 . 1 . . . . 122 VAL CA . 16629 1 1534 . 1 1 122 122 VAL CB C 13 34.963 0.047 . 1 . . . . 122 VAL CB . 16629 1 1535 . 1 1 122 122 VAL CG1 C 13 22.583 0.038 . 2 . . . . 122 VAL CG1 . 16629 1 1536 . 1 1 122 122 VAL CG2 C 13 22.728 0.062 . 2 . . . . 122 VAL CG2 . 16629 1 1537 . 1 1 122 122 VAL N N 15 121.266 0.144 . 1 . . . . 122 VAL N . 16629 1 1538 . 1 1 123 123 MET H H 1 8.759 0.008 . 1 . . . . 123 MET H . 16629 1 1539 . 1 1 123 123 MET HA H 1 5.348 0.010 . 1 . . . . 123 MET HA . 16629 1 1540 . 1 1 123 123 MET HB2 H 1 2.547 0.006 . 2 . . . . 123 MET HB2 . 16629 1 1541 . 1 1 123 123 MET HB3 H 1 2.466 0.005 . 2 . . . . 123 MET HB3 . 16629 1 1542 . 1 1 123 123 MET HE1 H 1 1.979 0.000 . . . . . . 123 MET QE . 16629 1 1543 . 1 1 123 123 MET HE2 H 1 1.979 0.000 . . . . . . 123 MET QE . 16629 1 1544 . 1 1 123 123 MET HE3 H 1 1.979 0.000 . . . . . . 123 MET QE . 16629 1 1545 . 1 1 123 123 MET HG2 H 1 1.962 0.007 . 2 . . . . 123 MET QG . 16629 1 1546 . 1 1 123 123 MET HG3 H 1 1.962 0.007 . 2 . . . . 123 MET QG . 16629 1 1547 . 1 1 123 123 MET C C 13 174.594 0.021 . 1 . . . . 123 MET C . 16629 1 1548 . 1 1 123 123 MET CA C 13 53.900 0.125 . 1 . . . . 123 MET CA . 16629 1 1549 . 1 1 123 123 MET CB C 13 31.936 0.094 . 1 . . . . 123 MET CB . 16629 1 1550 . 1 1 123 123 MET CE C 13 16.664 0.000 . 1 . . . . 123 MET CE . 16629 1 1551 . 1 1 123 123 MET CG C 13 31.785 0.017 . 1 . . . . 123 MET CG . 16629 1 1552 . 1 1 123 123 MET N N 15 126.988 0.145 . 1 . . . . 123 MET N . 16629 1 1553 . 1 1 124 124 VAL H H 1 9.321 0.007 . 1 . . . . 124 VAL H . 16629 1 1554 . 1 1 124 124 VAL HA H 1 4.614 0.014 . 1 . . . . 124 VAL HA . 16629 1 1555 . 1 1 124 124 VAL HB H 1 1.841 0.010 . 1 . . . . 124 VAL HB . 16629 1 1556 . 1 1 124 124 VAL HG11 H 1 0.861 0.005 . . . . . . 124 VAL QG1 . 16629 1 1557 . 1 1 124 124 VAL HG12 H 1 0.861 0.005 . . . . . . 124 VAL QG1 . 16629 1 1558 . 1 1 124 124 VAL HG13 H 1 0.861 0.005 . . . . . . 124 VAL QG1 . 16629 1 1559 . 1 1 124 124 VAL HG21 H 1 0.554 0.014 . . . . . . 124 VAL QG2 . 16629 1 1560 . 1 1 124 124 VAL HG22 H 1 0.554 0.014 . . . . . . 124 VAL QG2 . 16629 1 1561 . 1 1 124 124 VAL HG23 H 1 0.554 0.014 . . . . . . 124 VAL QG2 . 16629 1 1562 . 1 1 124 124 VAL C C 13 173.259 0.010 . 1 . . . . 124 VAL C . 16629 1 1563 . 1 1 124 124 VAL CA C 13 60.581 0.148 . 1 . . . . 124 VAL CA . 16629 1 1564 . 1 1 124 124 VAL CB C 13 33.834 0.081 . 1 . . . . 124 VAL CB . 16629 1 1565 . 1 1 124 124 VAL CG1 C 13 21.120 0.034 . 2 . . . . 124 VAL CG1 . 16629 1 1566 . 1 1 124 124 VAL CG2 C 13 22.427 0.037 . 2 . . . . 124 VAL CG2 . 16629 1 1567 . 1 1 124 124 VAL N N 15 126.068 0.131 . 1 . . . . 124 VAL N . 16629 1 1568 . 1 1 125 125 ASP H H 1 9.053 0.008 . 1 . . . . 125 ASP H . 16629 1 1569 . 1 1 125 125 ASP HA H 1 5.378 0.010 . 1 . . . . 125 ASP HA . 16629 1 1570 . 1 1 125 125 ASP HB2 H 1 3.118 0.007 . 2 . . . . 125 ASP HB2 . 16629 1 1571 . 1 1 125 125 ASP HB3 H 1 2.299 0.004 . 2 . . . . 125 ASP HB3 . 16629 1 1572 . 1 1 125 125 ASP C C 13 177.491 0.033 . 1 . . . . 125 ASP C . 16629 1 1573 . 1 1 125 125 ASP CA C 13 52.624 0.114 . 1 . . . . 125 ASP CA . 16629 1 1574 . 1 1 125 125 ASP CB C 13 44.292 0.104 . 1 . . . . 125 ASP CB . 16629 1 1575 . 1 1 125 125 ASP N N 15 123.714 0.111 . 1 . . . . 125 ASP N . 16629 1 1576 . 1 1 126 126 TYR H H 1 8.949 0.007 . 1 . . . . 126 TYR H . 16629 1 1577 . 1 1 126 126 TYR HA H 1 4.642 0.015 . 1 . . . . 126 TYR HA . 16629 1 1578 . 1 1 126 126 TYR HB2 H 1 3.182 0.011 . 2 . . . . 126 TYR HB2 . 16629 1 1579 . 1 1 126 126 TYR HB3 H 1 2.820 0.013 . 2 . . . . 126 TYR HB3 . 16629 1 1580 . 1 1 126 126 TYR HD1 H 1 7.149 0.008 . 3 . . . . 126 TYR QD . 16629 1 1581 . 1 1 126 126 TYR HD2 H 1 7.149 0.008 . 3 . . . . 126 TYR QD . 16629 1 1582 . 1 1 126 126 TYR HE1 H 1 6.538 0.008 . 3 . . . . 126 TYR QE . 16629 1 1583 . 1 1 126 126 TYR HE2 H 1 6.538 0.008 . 3 . . . . 126 TYR QE . 16629 1 1584 . 1 1 126 126 TYR C C 13 176.695 0.004 . 1 . . . . 126 TYR C . 16629 1 1585 . 1 1 126 126 TYR CA C 13 58.766 0.134 . 1 . . . . 126 TYR CA . 16629 1 1586 . 1 1 126 126 TYR CB C 13 37.871 0.032 . 1 . . . . 126 TYR CB . 16629 1 1587 . 1 1 126 126 TYR CD1 C 13 133.401 0.039 . 3 . . . . 126 TYR CD1 . 16629 1 1588 . 1 1 126 126 TYR CE1 C 13 117.886 0.098 . 3 . . . . 126 TYR CE1 . 16629 1 1589 . 1 1 126 126 TYR N N 15 124.618 0.135 . 1 . . . . 126 TYR N . 16629 1 1590 . 1 1 127 127 ASN H H 1 8.774 0.005 . 1 . . . . 127 ASN H . 16629 1 1591 . 1 1 127 127 ASN HA H 1 4.358 0.011 . 1 . . . . 127 ASN HA . 16629 1 1592 . 1 1 127 127 ASN HB2 H 1 2.340 0.008 . 2 . . . . 127 ASN HB2 . 16629 1 1593 . 1 1 127 127 ASN HB3 H 1 2.951 0.006 . 2 . . . . 127 ASN HB3 . 16629 1 1594 . 1 1 127 127 ASN C C 13 175.746 0.019 . 1 . . . . 127 ASN C . 16629 1 1595 . 1 1 127 127 ASN CA C 13 55.199 0.148 . 1 . . . . 127 ASN CA . 16629 1 1596 . 1 1 127 127 ASN CB C 13 39.949 0.125 . 1 . . . . 127 ASN CB . 16629 1 1597 . 1 1 127 127 ASN N N 15 120.238 0.185 . 1 . . . . 127 ASN N . 16629 1 1598 . 1 1 128 128 HIS H H 1 9.174 0.009 . 1 . . . . 128 HIS H . 16629 1 1599 . 1 1 128 128 HIS HA H 1 4.429 0.015 . 1 . . . . 128 HIS HA . 16629 1 1600 . 1 1 128 128 HIS HB2 H 1 3.445 0.014 . 2 . . . . 128 HIS HB2 . 16629 1 1601 . 1 1 128 128 HIS HB3 H 1 2.880 0.008 . 2 . . . . 128 HIS HB3 . 16629 1 1602 . 1 1 128 128 HIS HD2 H 1 7.211 0.005 . 1 . . . . 128 HIS HD2 . 16629 1 1603 . 1 1 128 128 HIS HE1 H 1 6.689 0.002 . 1 . . . . 128 HIS HE1 . 16629 1 1604 . 1 1 128 128 HIS C C 13 176.322 0.000 . 1 . . . . 128 HIS C . 16629 1 1605 . 1 1 128 128 HIS CA C 13 57.346 0.110 . 1 . . . . 128 HIS CA . 16629 1 1606 . 1 1 128 128 HIS CB C 13 31.305 0.065 . 1 . . . . 128 HIS CB . 16629 1 1607 . 1 1 128 128 HIS CD2 C 13 118.022 0.081 . 1 . . . . 128 HIS CD2 . 16629 1 1608 . 1 1 128 128 HIS CE1 C 13 137.376 0.072 . 1 . . . . 128 HIS CE1 . 16629 1 1609 . 1 1 128 128 HIS N N 15 125.101 0.173 . 1 . . . . 128 HIS N . 16629 1 1610 . 1 1 129 129 PRO HA H 1 4.300 0.013 . 1 . . . . 129 PRO HA . 16629 1 1611 . 1 1 129 129 PRO HB2 H 1 2.250 0.011 . 2 . . . . 129 PRO HB2 . 16629 1 1612 . 1 1 129 129 PRO HB3 H 1 1.715 0.012 . 2 . . . . 129 PRO HB3 . 16629 1 1613 . 1 1 129 129 PRO HD2 H 1 3.400 0.005 . 2 . . . . 129 PRO HD2 . 16629 1 1614 . 1 1 129 129 PRO HD3 H 1 2.014 0.008 . 2 . . . . 129 PRO HD3 . 16629 1 1615 . 1 1 129 129 PRO HG2 H 1 1.689 0.026 . 2 . . . . 129 PRO HG2 . 16629 1 1616 . 1 1 129 129 PRO HG3 H 1 1.713 0.031 . 2 . . . . 129 PRO HG3 . 16629 1 1617 . 1 1 129 129 PRO C C 13 177.916 0.000 . 1 . . . . 129 PRO C . 16629 1 1618 . 1 1 129 129 PRO CA C 13 65.182 0.106 . 1 . . . . 129 PRO CA . 16629 1 1619 . 1 1 129 129 PRO CB C 13 32.130 0.123 . 1 . . . . 129 PRO CB . 16629 1 1620 . 1 1 129 129 PRO CD C 13 50.196 0.063 . 1 . . . . 129 PRO CD . 16629 1 1621 . 1 1 129 129 PRO CG C 13 27.600 0.000 . 1 . . . . 129 PRO CG . 16629 1 1622 . 1 1 130 130 LEU H H 1 11.534 0.005 . 1 . . . . 130 LEU H . 16629 1 1623 . 1 1 130 130 LEU HA H 1 4.503 0.020 . 1 . . . . 130 LEU HA . 16629 1 1624 . 1 1 130 130 LEU HB2 H 1 1.535 0.011 . 2 . . . . 130 LEU QB . 16629 1 1625 . 1 1 130 130 LEU HB3 H 1 1.535 0.011 . 2 . . . . 130 LEU QB . 16629 1 1626 . 1 1 130 130 LEU HD11 H 1 0.765 0.002 . . . . . . 130 LEU QD1 . 16629 1 1627 . 1 1 130 130 LEU HD12 H 1 0.765 0.002 . . . . . . 130 LEU QD1 . 16629 1 1628 . 1 1 130 130 LEU HD13 H 1 0.765 0.002 . . . . . . 130 LEU QD1 . 16629 1 1629 . 1 1 130 130 LEU HD21 H 1 0.721 0.007 . . . . . . 130 LEU QD2 . 16629 1 1630 . 1 1 130 130 LEU HD22 H 1 0.721 0.007 . . . . . . 130 LEU QD2 . 16629 1 1631 . 1 1 130 130 LEU HD23 H 1 0.721 0.007 . . . . . . 130 LEU QD2 . 16629 1 1632 . 1 1 130 130 LEU HG H 1 1.662 0.008 . 1 . . . . 130 LEU HG . 16629 1 1633 . 1 1 130 130 LEU C C 13 177.982 0.025 . 1 . . . . 130 LEU C . 16629 1 1634 . 1 1 130 130 LEU CA C 13 53.323 0.112 . 1 . . . . 130 LEU CA . 16629 1 1635 . 1 1 130 130 LEU CB C 13 40.984 0.071 . 1 . . . . 130 LEU CB . 16629 1 1636 . 1 1 130 130 LEU CD1 C 13 23.479 0.019 . 2 . . . . 130 LEU CD1 . 16629 1 1637 . 1 1 130 130 LEU CD2 C 13 25.301 0.019 . 2 . . . . 130 LEU CD2 . 16629 1 1638 . 1 1 130 130 LEU N N 15 120.105 0.119 . 1 . . . . 130 LEU N . 16629 1 1639 . 1 1 131 131 ALA H H 1 8.532 0.004 . 1 . . . . 131 ALA H . 16629 1 1640 . 1 1 131 131 ALA HA H 1 4.183 0.012 . 1 . . . . 131 ALA HA . 16629 1 1641 . 1 1 131 131 ALA HB1 H 1 1.569 0.013 . . . . . . 131 ALA QB . 16629 1 1642 . 1 1 131 131 ALA HB2 H 1 1.569 0.013 . . . . . . 131 ALA QB . 16629 1 1643 . 1 1 131 131 ALA HB3 H 1 1.569 0.013 . . . . . . 131 ALA QB . 16629 1 1644 . 1 1 131 131 ALA C C 13 179.452 0.007 . 1 . . . . 131 ALA C . 16629 1 1645 . 1 1 131 131 ALA CA C 13 53.968 0.111 . 1 . . . . 131 ALA CA . 16629 1 1646 . 1 1 131 131 ALA CB C 13 19.064 0.104 . 1 . . . . 131 ALA CB . 16629 1 1647 . 1 1 131 131 ALA N N 15 126.124 0.119 . 1 . . . . 131 ALA N . 16629 1 1648 . 1 1 132 132 GLY H H 1 9.641 0.004 . 1 . . . . 132 GLY H . 16629 1 1649 . 1 1 132 132 GLY HA2 H 1 3.820 0.010 . 2 . . . . 132 GLY HA2 . 16629 1 1650 . 1 1 132 132 GLY HA3 H 1 4.344 0.009 . 2 . . . . 132 GLY HA3 . 16629 1 1651 . 1 1 132 132 GLY C C 13 173.498 0.013 . 1 . . . . 132 GLY C . 16629 1 1652 . 1 1 132 132 GLY CA C 13 46.064 0.155 . 1 . . . . 132 GLY CA . 16629 1 1653 . 1 1 132 132 GLY N N 15 108.465 0.108 . 1 . . . . 132 GLY N . 16629 1 1654 . 1 1 133 133 LYS H H 1 7.524 0.004 . 1 . . . . 133 LYS H . 16629 1 1655 . 1 1 133 133 LYS HA H 1 4.619 0.008 . 1 . . . . 133 LYS HA . 16629 1 1656 . 1 1 133 133 LYS HB2 H 1 1.941 0.005 . 2 . . . . 133 LYS QB . 16629 1 1657 . 1 1 133 133 LYS HB3 H 1 1.941 0.005 . 2 . . . . 133 LYS QB . 16629 1 1658 . 1 1 133 133 LYS HD2 H 1 1.719 0.000 . 2 . . . . 133 LYS QD . 16629 1 1659 . 1 1 133 133 LYS HD3 H 1 1.719 0.000 . 2 . . . . 133 LYS QD . 16629 1 1660 . 1 1 133 133 LYS HE2 H 1 3.035 0.010 . 2 . . . . 133 LYS QE . 16629 1 1661 . 1 1 133 133 LYS HE3 H 1 3.035 0.010 . 2 . . . . 133 LYS QE . 16629 1 1662 . 1 1 133 133 LYS HG2 H 1 1.513 0.006 . 2 . . . . 133 LYS HG2 . 16629 1 1663 . 1 1 133 133 LYS HG3 H 1 1.333 0.014 . 2 . . . . 133 LYS HG3 . 16629 1 1664 . 1 1 133 133 LYS C C 13 175.591 0.008 . 1 . . . . 133 LYS C . 16629 1 1665 . 1 1 133 133 LYS CA C 13 56.224 0.070 . 1 . . . . 133 LYS CA . 16629 1 1666 . 1 1 133 133 LYS CB C 13 34.496 0.060 . 1 . . . . 133 LYS CB . 16629 1 1667 . 1 1 133 133 LYS CD C 13 29.300 0.000 . 1 . . . . 133 LYS CD . 16629 1 1668 . 1 1 133 133 LYS CE C 13 41.875 0.055 . 1 . . . . 133 LYS CE . 16629 1 1669 . 1 1 133 133 LYS CG C 13 24.854 0.006 . 1 . . . . 133 LYS CG . 16629 1 1670 . 1 1 133 133 LYS N N 15 119.279 0.140 . 1 . . . . 133 LYS N . 16629 1 1671 . 1 1 134 134 THR H H 1 9.072 0.007 . 1 . . . . 134 THR H . 16629 1 1672 . 1 1 134 134 THR HA H 1 4.674 0.013 . 1 . . . . 134 THR HA . 16629 1 1673 . 1 1 134 134 THR HB H 1 4.113 0.006 . 1 . . . . 134 THR HB . 16629 1 1674 . 1 1 134 134 THR HG21 H 1 1.048 0.011 . . . . . . 134 THR QG2 . 16629 1 1675 . 1 1 134 134 THR HG22 H 1 1.048 0.011 . . . . . . 134 THR QG2 . 16629 1 1676 . 1 1 134 134 THR HG23 H 1 1.048 0.011 . . . . . . 134 THR QG2 . 16629 1 1677 . 1 1 134 134 THR C C 13 174.370 0.018 . 1 . . . . 134 THR C . 16629 1 1678 . 1 1 134 134 THR CA C 13 63.131 0.144 . 1 . . . . 134 THR CA . 16629 1 1679 . 1 1 134 134 THR CB C 13 68.867 0.112 . 1 . . . . 134 THR CB . 16629 1 1680 . 1 1 134 134 THR CG2 C 13 21.768 0.013 . 1 . . . . 134 THR CG2 . 16629 1 1681 . 1 1 134 134 THR N N 15 121.802 0.116 . 1 . . . . 134 THR N . 16629 1 1682 . 1 1 135 135 LEU H H 1 8.692 0.005 . 1 . . . . 135 LEU H . 16629 1 1683 . 1 1 135 135 LEU HA H 1 4.898 0.013 . 1 . . . . 135 LEU HA . 16629 1 1684 . 1 1 135 135 LEU HB2 H 1 1.245 0.016 . 2 . . . . 135 LEU HB2 . 16629 1 1685 . 1 1 135 135 LEU HB3 H 1 1.776 0.008 . 2 . . . . 135 LEU HB3 . 16629 1 1686 . 1 1 135 135 LEU HD11 H 1 0.713 0.010 . . . . . . 135 LEU QQD . 16629 1 1687 . 1 1 135 135 LEU HD12 H 1 0.713 0.010 . . . . . . 135 LEU QQD . 16629 1 1688 . 1 1 135 135 LEU HD13 H 1 0.713 0.010 . . . . . . 135 LEU QQD . 16629 1 1689 . 1 1 135 135 LEU HD21 H 1 0.713 0.010 . . . . . . 135 LEU QQD . 16629 1 1690 . 1 1 135 135 LEU HD22 H 1 0.713 0.010 . . . . . . 135 LEU QQD . 16629 1 1691 . 1 1 135 135 LEU HD23 H 1 0.713 0.010 . . . . . . 135 LEU QQD . 16629 1 1692 . 1 1 135 135 LEU HG H 1 1.852 0.008 . 1 . . . . 135 LEU HG . 16629 1 1693 . 1 1 135 135 LEU C C 13 174.103 0.003 . 1 . . . . 135 LEU C . 16629 1 1694 . 1 1 135 135 LEU CA C 13 53.678 0.128 . 1 . . . . 135 LEU CA . 16629 1 1695 . 1 1 135 135 LEU CB C 13 45.367 0.067 . 1 . . . . 135 LEU CB . 16629 1 1696 . 1 1 135 135 LEU CD1 C 13 23.012 0.070 . 2 . . . . 135 LEU CD1 . 16629 1 1697 . 1 1 135 135 LEU CD2 C 13 22.437 0.000 . 2 . . . . 135 LEU CD2 . 16629 1 1698 . 1 1 135 135 LEU CG C 13 26.645 0.203 . 1 . . . . 135 LEU CG . 16629 1 1699 . 1 1 135 135 LEU N N 15 127.770 0.151 . 1 . . . . 135 LEU N . 16629 1 1700 . 1 1 136 136 ALA H H 1 9.463 0.005 . 1 . . . . 136 ALA H . 16629 1 1701 . 1 1 136 136 ALA HA H 1 5.279 0.012 . 1 . . . . 136 ALA HA . 16629 1 1702 . 1 1 136 136 ALA HB1 H 1 1.343 0.013 . . . . . . 136 ALA QB . 16629 1 1703 . 1 1 136 136 ALA HB2 H 1 1.343 0.013 . . . . . . 136 ALA QB . 16629 1 1704 . 1 1 136 136 ALA HB3 H 1 1.343 0.013 . . . . . . 136 ALA QB . 16629 1 1705 . 1 1 136 136 ALA C C 13 176.488 0.006 . 1 . . . . 136 ALA C . 16629 1 1706 . 1 1 136 136 ALA CA C 13 50.707 0.096 . 1 . . . . 136 ALA CA . 16629 1 1707 . 1 1 136 136 ALA CB C 13 19.810 0.112 . 1 . . . . 136 ALA CB . 16629 1 1708 . 1 1 136 136 ALA N N 15 126.388 0.134 . 1 . . . . 136 ALA N . 16629 1 1709 . 1 1 137 137 PHE H H 1 9.501 0.005 . 1 . . . . 137 PHE H . 16629 1 1710 . 1 1 137 137 PHE HA H 1 5.444 0.014 . 1 . . . . 137 PHE HA . 16629 1 1711 . 1 1 137 137 PHE HB2 H 1 3.228 0.016 . 2 . . . . 137 PHE HB2 . 16629 1 1712 . 1 1 137 137 PHE HB3 H 1 2.838 0.013 . 2 . . . . 137 PHE HB3 . 16629 1 1713 . 1 1 137 137 PHE HD1 H 1 6.997 0.019 . 3 . . . . 137 PHE QD . 16629 1 1714 . 1 1 137 137 PHE HD2 H 1 6.997 0.019 . 3 . . . . 137 PHE QD . 16629 1 1715 . 1 1 137 137 PHE HE1 H 1 7.125 0.000 . 3 . . . . 137 PHE QE . 16629 1 1716 . 1 1 137 137 PHE HE2 H 1 7.125 0.000 . 3 . . . . 137 PHE QE . 16629 1 1717 . 1 1 137 137 PHE C C 13 175.904 0.016 . 1 . . . . 137 PHE C . 16629 1 1718 . 1 1 137 137 PHE CA C 13 57.376 0.131 . 1 . . . . 137 PHE CA . 16629 1 1719 . 1 1 137 137 PHE CB C 13 43.502 0.061 . 1 . . . . 137 PHE CB . 16629 1 1720 . 1 1 137 137 PHE N N 15 124.516 0.122 . 1 . . . . 137 PHE N . 16629 1 1721 . 1 1 138 138 ARG H H 1 9.004 0.005 . 1 . . . . 138 ARG H . 16629 1 1722 . 1 1 138 138 ARG HA H 1 5.728 0.012 . 1 . . . . 138 ARG HA . 16629 1 1723 . 1 1 138 138 ARG HB2 H 1 2.029 0.018 . 2 . . . . 138 ARG HB2 . 16629 1 1724 . 1 1 138 138 ARG HB3 H 1 1.825 0.013 . 2 . . . . 138 ARG HB3 . 16629 1 1725 . 1 1 138 138 ARG HD2 H 1 2.955 0.012 . 2 . . . . 138 ARG HD2 . 16629 1 1726 . 1 1 138 138 ARG HD3 H 1 3.029 0.011 . 2 . . . . 138 ARG HD3 . 16629 1 1727 . 1 1 138 138 ARG HE H 1 7.266 0.008 . 1 . . . . 138 ARG HE . 16629 1 1728 . 1 1 138 138 ARG HG2 H 1 1.608 0.003 . 2 . . . . 138 ARG HG2 . 16629 1 1729 . 1 1 138 138 ARG HG3 H 1 1.719 0.004 . 2 . . . . 138 ARG HG3 . 16629 1 1730 . 1 1 138 138 ARG C C 13 175.515 0.013 . 1 . . . . 138 ARG C . 16629 1 1731 . 1 1 138 138 ARG CA C 13 55.452 0.099 . 1 . . . . 138 ARG CA . 16629 1 1732 . 1 1 138 138 ARG CB C 13 32.534 0.070 . 1 . . . . 138 ARG CB . 16629 1 1733 . 1 1 138 138 ARG CD C 13 43.171 0.088 . 1 . . . . 138 ARG CD . 16629 1 1734 . 1 1 138 138 ARG CG C 13 28.610 0.046 . 1 . . . . 138 ARG CG . 16629 1 1735 . 1 1 138 138 ARG N N 15 124.535 0.127 . 1 . . . . 138 ARG N . 16629 1 1736 . 1 1 138 138 ARG NE N 15 84.011 0.040 . 1 . . . . 138 ARG NE . 16629 1 1737 . 1 1 139 139 PHE H H 1 9.715 0.004 . 1 . . . . 139 PHE H . 16629 1 1738 . 1 1 139 139 PHE HA H 1 6.277 0.012 . 1 . . . . 139 PHE HA . 16629 1 1739 . 1 1 139 139 PHE HB2 H 1 3.022 0.011 . 2 . . . . 139 PHE HB2 . 16629 1 1740 . 1 1 139 139 PHE HB3 H 1 3.281 0.012 . 2 . . . . 139 PHE HB3 . 16629 1 1741 . 1 1 139 139 PHE HD1 H 1 6.891 0.006 . 3 . . . . 139 PHE QD . 16629 1 1742 . 1 1 139 139 PHE HD2 H 1 6.891 0.006 . 3 . . . . 139 PHE QD . 16629 1 1743 . 1 1 139 139 PHE HE1 H 1 7.034 0.006 . 3 . . . . 139 PHE QE . 16629 1 1744 . 1 1 139 139 PHE HE2 H 1 7.034 0.006 . 3 . . . . 139 PHE QE . 16629 1 1745 . 1 1 139 139 PHE C C 13 170.558 0.014 . 1 . . . . 139 PHE C . 16629 1 1746 . 1 1 139 139 PHE CA C 13 56.556 0.101 . 1 . . . . 139 PHE CA . 16629 1 1747 . 1 1 139 139 PHE CB C 13 43.828 0.063 . 1 . . . . 139 PHE CB . 16629 1 1748 . 1 1 139 139 PHE N N 15 122.861 0.127 . 1 . . . . 139 PHE N . 16629 1 1749 . 1 1 140 140 LYS H H 1 9.046 0.007 . 1 . . . . 140 LYS H . 16629 1 1750 . 1 1 140 140 LYS HA H 1 4.241 0.014 . 1 . . . . 140 LYS HA . 16629 1 1751 . 1 1 140 140 LYS HB2 H 1 0.521 0.009 . 2 . . . . 140 LYS HB2 . 16629 1 1752 . 1 1 140 140 LYS HB3 H 1 -0.266 0.014 . 2 . . . . 140 LYS HB3 . 16629 1 1753 . 1 1 140 140 LYS HD2 H 1 0.661 0.004 . 2 . . . . 140 LYS HD2 . 16629 1 1754 . 1 1 140 140 LYS HD3 H 1 0.838 0.007 . 2 . . . . 140 LYS HD3 . 16629 1 1755 . 1 1 140 140 LYS HE2 H 1 1.686 0.003 . 2 . . . . 140 LYS HE2 . 16629 1 1756 . 1 1 140 140 LYS HE3 H 1 2.074 0.005 . 2 . . . . 140 LYS HE3 . 16629 1 1757 . 1 1 140 140 LYS HG2 H 1 0.397 0.007 . 2 . . . . 140 LYS QG . 16629 1 1758 . 1 1 140 140 LYS HG3 H 1 0.397 0.007 . 2 . . . . 140 LYS QG . 16629 1 1759 . 1 1 140 140 LYS C C 13 174.987 0.017 . 1 . . . . 140 LYS C . 16629 1 1760 . 1 1 140 140 LYS CA C 13 54.536 0.110 . 1 . . . . 140 LYS CA . 16629 1 1761 . 1 1 140 140 LYS CB C 13 35.230 0.081 . 1 . . . . 140 LYS CB . 16629 1 1762 . 1 1 140 140 LYS CD C 13 28.825 0.104 . 1 . . . . 140 LYS CD . 16629 1 1763 . 1 1 140 140 LYS CE C 13 40.614 0.028 . 1 . . . . 140 LYS CE . 16629 1 1764 . 1 1 140 140 LYS CG C 13 24.008 0.039 . 1 . . . . 140 LYS CG . 16629 1 1765 . 1 1 140 140 LYS N N 15 120.884 0.130 . 1 . . . . 140 LYS N . 16629 1 1766 . 1 1 141 141 VAL H H 1 10.076 0.007 . 1 . . . . 141 VAL H . 16629 1 1767 . 1 1 141 141 VAL HA H 1 4.306 0.015 . 1 . . . . 141 VAL HA . 16629 1 1768 . 1 1 141 141 VAL HB H 1 2.033 0.010 . 1 . . . . 141 VAL HB . 16629 1 1769 . 1 1 141 141 VAL HG11 H 1 1.305 0.003 . . . . . . 141 VAL QG1 . 16629 1 1770 . 1 1 141 141 VAL HG12 H 1 1.305 0.003 . . . . . . 141 VAL QG1 . 16629 1 1771 . 1 1 141 141 VAL HG13 H 1 1.305 0.003 . . . . . . 141 VAL QG1 . 16629 1 1772 . 1 1 141 141 VAL HG21 H 1 0.647 0.002 . . . . . . 141 VAL QG2 . 16629 1 1773 . 1 1 141 141 VAL HG22 H 1 0.647 0.002 . . . . . . 141 VAL QG2 . 16629 1 1774 . 1 1 141 141 VAL HG23 H 1 0.647 0.002 . . . . . . 141 VAL QG2 . 16629 1 1775 . 1 1 141 141 VAL C C 13 175.781 0.000 . 1 . . . . 141 VAL C . 16629 1 1776 . 1 1 141 141 VAL CA C 13 62.113 0.125 . 1 . . . . 141 VAL CA . 16629 1 1777 . 1 1 141 141 VAL CB C 13 32.000 0.086 . 1 . . . . 141 VAL CB . 16629 1 1778 . 1 1 141 141 VAL CG1 C 13 23.375 0.025 . 2 . . . . 141 VAL CG1 . 16629 1 1779 . 1 1 141 141 VAL CG2 C 13 21.567 0.028 . 2 . . . . 141 VAL CG2 . 16629 1 1780 . 1 1 141 141 VAL N N 15 128.283 0.121 . 1 . . . . 141 VAL N . 16629 1 1781 . 1 1 142 142 LEU H H 1 9.246 0.004 . 1 . . . . 142 LEU H . 16629 1 1782 . 1 1 142 142 LEU HA H 1 4.210 0.012 . 1 . . . . 142 LEU HA . 16629 1 1783 . 1 1 142 142 LEU HB2 H 1 1.495 0.010 . 2 . . . . 142 LEU QB . 16629 1 1784 . 1 1 142 142 LEU HB3 H 1 1.495 0.010 . 2 . . . . 142 LEU QB . 16629 1 1785 . 1 1 142 142 LEU HD11 H 1 0.815 0.007 . . . . . . 142 LEU QD1 . 16629 1 1786 . 1 1 142 142 LEU HD12 H 1 0.815 0.007 . . . . . . 142 LEU QD1 . 16629 1 1787 . 1 1 142 142 LEU HD13 H 1 0.815 0.007 . . . . . . 142 LEU QD1 . 16629 1 1788 . 1 1 142 142 LEU HD21 H 1 0.736 0.005 . . . . . . 142 LEU QD2 . 16629 1 1789 . 1 1 142 142 LEU HD22 H 1 0.736 0.005 . . . . . . 142 LEU QD2 . 16629 1 1790 . 1 1 142 142 LEU HD23 H 1 0.736 0.005 . . . . . . 142 LEU QD2 . 16629 1 1791 . 1 1 142 142 LEU HG H 1 1.546 0.003 . 1 . . . . 142 LEU HG . 16629 1 1792 . 1 1 142 142 LEU C C 13 178.290 0.030 . 1 . . . . 142 LEU C . 16629 1 1793 . 1 1 142 142 LEU CA C 13 56.002 0.100 . 1 . . . . 142 LEU CA . 16629 1 1794 . 1 1 142 142 LEU CB C 13 41.877 0.064 . 1 . . . . 142 LEU CB . 16629 1 1795 . 1 1 142 142 LEU CD1 C 13 25.331 0.062 . 2 . . . . 142 LEU CD1 . 16629 1 1796 . 1 1 142 142 LEU CD2 C 13 23.277 0.066 . 2 . . . . 142 LEU CD2 . 16629 1 1797 . 1 1 142 142 LEU CG C 13 27.983 0.116 . 1 . . . . 142 LEU CG . 16629 1 1798 . 1 1 142 142 LEU N N 15 128.678 0.130 . 1 . . . . 142 LEU N . 16629 1 1799 . 1 1 143 143 GLY H H 1 7.073 0.005 . 1 . . . . 143 GLY H . 16629 1 1800 . 1 1 143 143 GLY HA2 H 1 4.184 0.009 . 2 . . . . 143 GLY HA2 . 16629 1 1801 . 1 1 143 143 GLY HA3 H 1 3.706 0.013 . 2 . . . . 143 GLY HA3 . 16629 1 1802 . 1 1 143 143 GLY C C 13 169.106 0.002 . 1 . . . . 143 GLY C . 16629 1 1803 . 1 1 143 143 GLY CA C 13 44.984 0.069 . 1 . . . . 143 GLY CA . 16629 1 1804 . 1 1 143 143 GLY N N 15 103.732 0.105 . 1 . . . . 143 GLY N . 16629 1 1805 . 1 1 144 144 PHE H H 1 8.327 0.009 . 1 . . . . 144 PHE H . 16629 1 1806 . 1 1 144 144 PHE HA H 1 5.537 0.012 . 1 . . . . 144 PHE HA . 16629 1 1807 . 1 1 144 144 PHE HB2 H 1 2.987 0.017 . 2 . . . . 144 PHE HB2 . 16629 1 1808 . 1 1 144 144 PHE HB3 H 1 2.715 0.014 . 2 . . . . 144 PHE HB3 . 16629 1 1809 . 1 1 144 144 PHE HD1 H 1 7.045 0.016 . 3 . . . . 144 PHE QD . 16629 1 1810 . 1 1 144 144 PHE HD2 H 1 7.045 0.016 . 3 . . . . 144 PHE QD . 16629 1 1811 . 1 1 144 144 PHE HE1 H 1 6.896 0.005 . 3 . . . . 144 PHE QE . 16629 1 1812 . 1 1 144 144 PHE HE2 H 1 6.896 0.005 . 3 . . . . 144 PHE QE . 16629 1 1813 . 1 1 144 144 PHE C C 13 175.687 0.043 . 1 . . . . 144 PHE C . 16629 1 1814 . 1 1 144 144 PHE CA C 13 56.266 0.090 . 1 . . . . 144 PHE CA . 16629 1 1815 . 1 1 144 144 PHE CB C 13 43.524 0.096 . 1 . . . . 144 PHE CB . 16629 1 1816 . 1 1 144 144 PHE N N 15 116.124 0.224 . 1 . . . . 144 PHE N . 16629 1 1817 . 1 1 145 145 ARG H H 1 9.048 0.007 . 1 . . . . 145 ARG H . 16629 1 1818 . 1 1 145 145 ARG HA H 1 4.773 0.013 . 1 . . . . 145 ARG HA . 16629 1 1819 . 1 1 145 145 ARG HB2 H 1 1.727 0.007 . 2 . . . . 145 ARG QB . 16629 1 1820 . 1 1 145 145 ARG HB3 H 1 1.727 0.007 . 2 . . . . 145 ARG QB . 16629 1 1821 . 1 1 145 145 ARG HD2 H 1 3.001 0.010 . 2 . . . . 145 ARG HD2 . 16629 1 1822 . 1 1 145 145 ARG HD3 H 1 3.126 0.009 . 2 . . . . 145 ARG HD3 . 16629 1 1823 . 1 1 145 145 ARG HE H 1 7.755 0.006 . 1 . . . . 145 ARG HE . 16629 1 1824 . 1 1 145 145 ARG HG2 H 1 1.458 0.012 . 2 . . . . 145 ARG HG2 . 16629 1 1825 . 1 1 145 145 ARG HG3 H 1 1.316 0.015 . 2 . . . . 145 ARG HG3 . 16629 1 1826 . 1 1 145 145 ARG C C 13 174.263 0.010 . 1 . . . . 145 ARG C . 16629 1 1827 . 1 1 145 145 ARG CA C 13 54.691 0.097 . 1 . . . . 145 ARG CA . 16629 1 1828 . 1 1 145 145 ARG CB C 13 33.634 0.073 . 1 . . . . 145 ARG CB . 16629 1 1829 . 1 1 145 145 ARG CD C 13 43.304 0.141 . 1 . . . . 145 ARG CD . 16629 1 1830 . 1 1 145 145 ARG CG C 13 26.863 0.096 . 1 . . . . 145 ARG CG . 16629 1 1831 . 1 1 145 145 ARG N N 15 119.522 0.147 . 1 . . . . 145 ARG N . 16629 1 1832 . 1 1 145 145 ARG NE N 15 85.101 0.081 . 1 . . . . 145 ARG NE . 16629 1 1833 . 1 1 146 146 GLU H H 1 8.651 0.008 . 1 . . . . 146 GLU H . 16629 1 1834 . 1 1 146 146 GLU HA H 1 4.612 0.011 . 1 . . . . 146 GLU HA . 16629 1 1835 . 1 1 146 146 GLU HB2 H 1 1.941 0.013 . 2 . . . . 146 GLU QB . 16629 1 1836 . 1 1 146 146 GLU HB3 H 1 1.941 0.013 . 2 . . . . 146 GLU QB . 16629 1 1837 . 1 1 146 146 GLU HG2 H 1 2.138 0.014 . 2 . . . . 146 GLU HG2 . 16629 1 1838 . 1 1 146 146 GLU HG3 H 1 2.327 0.008 . 2 . . . . 146 GLU HG3 . 16629 1 1839 . 1 1 146 146 GLU C C 13 176.469 0.007 . 1 . . . . 146 GLU C . 16629 1 1840 . 1 1 146 146 GLU CA C 13 56.374 0.088 . 1 . . . . 146 GLU CA . 16629 1 1841 . 1 1 146 146 GLU CB C 13 30.467 0.067 . 1 . . . . 146 GLU CB . 16629 1 1842 . 1 1 146 146 GLU CG C 13 36.809 0.022 . 1 . . . . 146 GLU CG . 16629 1 1843 . 1 1 146 146 GLU N N 15 122.996 0.172 . 1 . . . . 146 GLU N . 16629 1 1844 . 1 1 147 147 VAL H H 1 8.447 0.008 . 1 . . . . 147 VAL H . 16629 1 1845 . 1 1 147 147 VAL HA H 1 4.157 0.010 . 1 . . . . 147 VAL HA . 16629 1 1846 . 1 1 147 147 VAL HB H 1 1.869 0.006 . 1 . . . . 147 VAL HB . 16629 1 1847 . 1 1 147 147 VAL HG11 H 1 0.872 0.006 . . . . . . 147 VAL QG1 . 16629 1 1848 . 1 1 147 147 VAL HG12 H 1 0.872 0.006 . . . . . . 147 VAL QG1 . 16629 1 1849 . 1 1 147 147 VAL HG13 H 1 0.872 0.006 . . . . . . 147 VAL QG1 . 16629 1 1850 . 1 1 147 147 VAL HG21 H 1 0.758 0.004 . . . . . . 147 VAL QG2 . 16629 1 1851 . 1 1 147 147 VAL HG22 H 1 0.758 0.004 . . . . . . 147 VAL QG2 . 16629 1 1852 . 1 1 147 147 VAL HG23 H 1 0.758 0.004 . . . . . . 147 VAL QG2 . 16629 1 1853 . 1 1 147 147 VAL C C 13 175.400 0.002 . 1 . . . . 147 VAL C . 16629 1 1854 . 1 1 147 147 VAL CA C 13 61.729 0.123 . 1 . . . . 147 VAL CA . 16629 1 1855 . 1 1 147 147 VAL CB C 13 33.047 0.073 . 1 . . . . 147 VAL CB . 16629 1 1856 . 1 1 147 147 VAL CG1 C 13 21.221 0.025 . 2 . . . . 147 VAL CG1 . 16629 1 1857 . 1 1 147 147 VAL CG2 C 13 21.159 0.030 . 2 . . . . 147 VAL CG2 . 16629 1 1858 . 1 1 147 147 VAL N N 15 124.408 0.135 . 1 . . . . 147 VAL N . 16629 1 1859 . 1 1 148 148 SER H H 1 8.499 0.006 . 1 . . . . 148 SER H . 16629 1 1860 . 1 1 148 148 SER HA H 1 4.626 0.008 . 1 . . . . 148 SER HA . 16629 1 1861 . 1 1 148 148 SER HB2 H 1 3.859 0.007 . 2 . . . . 148 SER HB2 . 16629 1 1862 . 1 1 148 148 SER HB3 H 1 3.903 0.010 . 2 . . . . 148 SER HB3 . 16629 1 1863 . 1 1 148 148 SER C C 13 174.609 0.004 . 1 . . . . 148 SER C . 16629 1 1864 . 1 1 148 148 SER CA C 13 57.734 0.155 . 1 . . . . 148 SER CA . 16629 1 1865 . 1 1 148 148 SER CB C 13 64.384 0.075 . 1 . . . . 148 SER CB . 16629 1 1866 . 1 1 148 148 SER N N 15 121.217 0.169 . 1 . . . . 148 SER N . 16629 1 1867 . 1 1 149 149 GLU H H 1 8.688 0.007 . 1 . . . . 149 GLU H . 16629 1 1868 . 1 1 149 149 GLU HA H 1 4.318 0.008 . 1 . . . . 149 GLU HA . 16629 1 1869 . 1 1 149 149 GLU HB2 H 1 1.931 0.007 . 2 . . . . 149 GLU HB2 . 16629 1 1870 . 1 1 149 149 GLU HB3 H 1 2.085 0.004 . 2 . . . . 149 GLU HB3 . 16629 1 1871 . 1 1 149 149 GLU HG2 H 1 2.264 0.002 . 2 . . . . 149 GLU QG . 16629 1 1872 . 1 1 149 149 GLU HG3 H 1 2.264 0.002 . 2 . . . . 149 GLU QG . 16629 1 1873 . 1 1 149 149 GLU C C 13 176.270 0.005 . 1 . . . . 149 GLU C . 16629 1 1874 . 1 1 149 149 GLU CA C 13 56.800 0.130 . 1 . . . . 149 GLU CA . 16629 1 1875 . 1 1 149 149 GLU CB C 13 30.491 0.086 . 1 . . . . 149 GLU CB . 16629 1 1876 . 1 1 149 149 GLU CG C 13 36.440 0.000 . 1 . . . . 149 GLU CG . 16629 1 1877 . 1 1 149 149 GLU N N 15 123.459 0.165 . 1 . . . . 149 GLU N . 16629 1 1878 . 1 1 150 150 GLU H H 1 8.405 0.006 . 1 . . . . 150 GLU H . 16629 1 1879 . 1 1 150 150 GLU HA H 1 4.314 0.012 . 1 . . . . 150 GLU HA . 16629 1 1880 . 1 1 150 150 GLU HB2 H 1 2.095 0.008 . 2 . . . . 150 GLU HB2 . 16629 1 1881 . 1 1 150 150 GLU HB3 H 1 1.903 0.012 . 2 . . . . 150 GLU HB3 . 16629 1 1882 . 1 1 150 150 GLU HG2 H 1 2.263 0.008 . 2 . . . . 150 GLU QG . 16629 1 1883 . 1 1 150 150 GLU HG3 H 1 2.263 0.008 . 2 . . . . 150 GLU QG . 16629 1 1884 . 1 1 150 150 GLU C C 13 175.615 0.002 . 1 . . . . 150 GLU C . 16629 1 1885 . 1 1 150 150 GLU CA C 13 56.489 0.073 . 1 . . . . 150 GLU CA . 16629 1 1886 . 1 1 150 150 GLU CB C 13 30.665 0.126 . 1 . . . . 150 GLU CB . 16629 1 1887 . 1 1 150 150 GLU CG C 13 36.357 0.020 . 1 . . . . 150 GLU CG . 16629 1 1888 . 1 1 150 150 GLU N N 15 121.455 0.174 . 1 . . . . 150 GLU N . 16629 1 1889 . 1 1 151 151 GLU H H 1 7.928 0.011 . 1 . . . . 151 GLU H . 16629 1 1890 . 1 1 151 151 GLU HA H 1 4.093 0.006 . 1 . . . . 151 GLU HA . 16629 1 1891 . 1 1 151 151 GLU HB2 H 1 1.909 0.003 . 2 . . . . 151 GLU HB2 . 16629 1 1892 . 1 1 151 151 GLU HB3 H 1 2.041 0.003 . 2 . . . . 151 GLU HB3 . 16629 1 1893 . 1 1 151 151 GLU HG2 H 1 2.226 0.011 . 2 . . . . 151 GLU QG . 16629 1 1894 . 1 1 151 151 GLU HG3 H 1 2.226 0.011 . 2 . . . . 151 GLU QG . 16629 1 1895 . 1 1 151 151 GLU C C 13 181.157 0.000 . 1 . . . . 151 GLU C . 16629 1 1896 . 1 1 151 151 GLU CA C 13 58.224 0.071 . 1 . . . . 151 GLU CA . 16629 1 1897 . 1 1 151 151 GLU CB C 13 30.915 0.277 . 1 . . . . 151 GLU CB . 16629 1 1898 . 1 1 151 151 GLU CG C 13 36.955 0.000 . 1 . . . . 151 GLU CG . 16629 1 1899 . 1 1 151 151 GLU N N 15 127.156 0.227 . 1 . . . . 151 GLU N . 16629 1 stop_ save_