data_26627 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26627 _Entry.Title ; Backbone 1H, 13C and 15N resonance assignments for CaM-Fas-47-83 complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-08-07 _Entry.Accession_date 2015-08-07 _Entry.Last_release_date 2015-09-04 _Entry.Original_release_date 2015-09-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _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.ORCID _Entry_author.Entry_ID 1 Jiri Vlach . . . . 26627 2 Jamil Saad . . . . 26627 3 Bliss Chang . . . . 26627 4 Alexandra Samal . . . . 26627 5 Timothy Fernandez . . . . 26627 6 Dewey Brooke . . . . 26627 7 Peter Prevelige . . . . 26627 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' . 26627 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Saad Lab' . 26627 2 . 'Prevelige Lab' . 26627 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26627 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 376 26627 '15N chemical shifts' 179 26627 '1H chemical shifts' 283 26627 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 3 . . 2016-06-21 2015-08-07 original author 'update entry citation' 26627 2 . . 2015-11-24 2015-08-07 original author 'add assignments of Fas47-83' 26627 1 . . 2015-09-04 2015-08-07 original author 'original release' 26627 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26626 CaM+Fas 26627 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26627 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26735300 _Citation.Full_citation . _Citation.Title ; Identification of the Calmodulin-Binding Domains of Fas Death Receptor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS One' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first e0146493 _Citation.Page_last e0146493 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Bliss Chang . . . . 26627 1 2 Alexandra Samal . . . . 26627 1 3 Jiri Vlach . . . . 26627 1 4 Timothy Fernandez . . . . 26627 1 5 Dewey Brooke . . . . 26627 1 6 Peter Prevelige . . . . 26627 1 7 Jamil Saad . . . . 26627 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26627 _Assembly.ID 1 _Assembly.Name CaM+Fas47-83 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 21251.4279 _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 CaM 1 $CaM A . yes native no no . . . 26627 1 2 Fas47-83 2 $Fas47-83 F . yes native no no . . . 26627 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CaM _Entity.Sf_category entity _Entity.Sf_framecode CaM _Entity.Entry_ID 26627 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CaM _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 ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; _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 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16683.1669 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ALA . 26627 1 2 2 ASP . 26627 1 3 3 GLN . 26627 1 4 4 LEU . 26627 1 5 5 THR . 26627 1 6 6 GLU . 26627 1 7 7 GLU . 26627 1 8 8 GLN . 26627 1 9 9 ILE . 26627 1 10 10 ALA . 26627 1 11 11 GLU . 26627 1 12 12 PHE . 26627 1 13 13 LYS . 26627 1 14 14 GLU . 26627 1 15 15 ALA . 26627 1 16 16 PHE . 26627 1 17 17 SER . 26627 1 18 18 LEU . 26627 1 19 19 PHE . 26627 1 20 20 ASP . 26627 1 21 21 LYS . 26627 1 22 22 ASP . 26627 1 23 23 GLY . 26627 1 24 24 ASP . 26627 1 25 25 GLY . 26627 1 26 26 THR . 26627 1 27 27 ILE . 26627 1 28 28 THR . 26627 1 29 29 THR . 26627 1 30 30 LYS . 26627 1 31 31 GLU . 26627 1 32 32 LEU . 26627 1 33 33 GLY . 26627 1 34 34 THR . 26627 1 35 35 VAL . 26627 1 36 36 MET . 26627 1 37 37 ARG . 26627 1 38 38 SER . 26627 1 39 39 LEU . 26627 1 40 40 GLY . 26627 1 41 41 GLN . 26627 1 42 42 ASN . 26627 1 43 43 PRO . 26627 1 44 44 THR . 26627 1 45 45 GLU . 26627 1 46 46 ALA . 26627 1 47 47 GLU . 26627 1 48 48 LEU . 26627 1 49 49 GLN . 26627 1 50 50 ASP . 26627 1 51 51 MET . 26627 1 52 52 ILE . 26627 1 53 53 ASN . 26627 1 54 54 GLU . 26627 1 55 55 VAL . 26627 1 56 56 ASP . 26627 1 57 57 ALA . 26627 1 58 58 ASP . 26627 1 59 59 GLY . 26627 1 60 60 ASN . 26627 1 61 61 GLY . 26627 1 62 62 THR . 26627 1 63 63 ILE . 26627 1 64 64 ASP . 26627 1 65 65 PHE . 26627 1 66 66 PRO . 26627 1 67 67 GLU . 26627 1 68 68 PHE . 26627 1 69 69 LEU . 26627 1 70 70 THR . 26627 1 71 71 MET . 26627 1 72 72 MET . 26627 1 73 73 ALA . 26627 1 74 74 ARG . 26627 1 75 75 LYS . 26627 1 76 76 MET . 26627 1 77 77 LYS . 26627 1 78 78 ASP . 26627 1 79 79 THR . 26627 1 80 80 ASP . 26627 1 81 81 SER . 26627 1 82 82 GLU . 26627 1 83 83 GLU . 26627 1 84 84 GLU . 26627 1 85 85 ILE . 26627 1 86 86 ARG . 26627 1 87 87 GLU . 26627 1 88 88 ALA . 26627 1 89 89 PHE . 26627 1 90 90 ARG . 26627 1 91 91 VAL . 26627 1 92 92 PHE . 26627 1 93 93 ASP . 26627 1 94 94 LYS . 26627 1 95 95 ASP . 26627 1 96 96 GLY . 26627 1 97 97 ASN . 26627 1 98 98 GLY . 26627 1 99 99 TYR . 26627 1 100 100 ILE . 26627 1 101 101 SER . 26627 1 102 102 ALA . 26627 1 103 103 ALA . 26627 1 104 104 GLU . 26627 1 105 105 LEU . 26627 1 106 106 ARG . 26627 1 107 107 HIS . 26627 1 108 108 VAL . 26627 1 109 109 MET . 26627 1 110 110 THR . 26627 1 111 111 ASN . 26627 1 112 112 LEU . 26627 1 113 113 GLY . 26627 1 114 114 GLU . 26627 1 115 115 LYS . 26627 1 116 116 LEU . 26627 1 117 117 THR . 26627 1 118 118 ASP . 26627 1 119 119 GLU . 26627 1 120 120 GLU . 26627 1 121 121 VAL . 26627 1 122 122 ASP . 26627 1 123 123 GLU . 26627 1 124 124 MET . 26627 1 125 125 ILE . 26627 1 126 126 ARG . 26627 1 127 127 GLU . 26627 1 128 128 ALA . 26627 1 129 129 ASP . 26627 1 130 130 ILE . 26627 1 131 131 ASP . 26627 1 132 132 GLY . 26627 1 133 133 ASP . 26627 1 134 134 GLY . 26627 1 135 135 GLN . 26627 1 136 136 VAL . 26627 1 137 137 ASN . 26627 1 138 138 TYR . 26627 1 139 139 GLU . 26627 1 140 140 GLU . 26627 1 141 141 PHE . 26627 1 142 142 VAL . 26627 1 143 143 GLN . 26627 1 144 144 MET . 26627 1 145 145 MET . 26627 1 146 146 THR . 26627 1 147 147 ALA . 26627 1 148 148 LYS . 26627 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 . ALA 1 1 26627 1 . ASP 2 2 26627 1 . GLN 3 3 26627 1 . LEU 4 4 26627 1 . THR 5 5 26627 1 . GLU 6 6 26627 1 . GLU 7 7 26627 1 . GLN 8 8 26627 1 . ILE 9 9 26627 1 . ALA 10 10 26627 1 . GLU 11 11 26627 1 . PHE 12 12 26627 1 . LYS 13 13 26627 1 . GLU 14 14 26627 1 . ALA 15 15 26627 1 . PHE 16 16 26627 1 . SER 17 17 26627 1 . LEU 18 18 26627 1 . PHE 19 19 26627 1 . ASP 20 20 26627 1 . LYS 21 21 26627 1 . ASP 22 22 26627 1 . GLY 23 23 26627 1 . ASP 24 24 26627 1 . GLY 25 25 26627 1 . THR 26 26 26627 1 . ILE 27 27 26627 1 . THR 28 28 26627 1 . THR 29 29 26627 1 . LYS 30 30 26627 1 . GLU 31 31 26627 1 . LEU 32 32 26627 1 . GLY 33 33 26627 1 . THR 34 34 26627 1 . VAL 35 35 26627 1 . MET 36 36 26627 1 . ARG 37 37 26627 1 . SER 38 38 26627 1 . LEU 39 39 26627 1 . GLY 40 40 26627 1 . GLN 41 41 26627 1 . ASN 42 42 26627 1 . PRO 43 43 26627 1 . THR 44 44 26627 1 . GLU 45 45 26627 1 . ALA 46 46 26627 1 . GLU 47 47 26627 1 . LEU 48 48 26627 1 . GLN 49 49 26627 1 . ASP 50 50 26627 1 . MET 51 51 26627 1 . ILE 52 52 26627 1 . ASN 53 53 26627 1 . GLU 54 54 26627 1 . VAL 55 55 26627 1 . ASP 56 56 26627 1 . ALA 57 57 26627 1 . ASP 58 58 26627 1 . GLY 59 59 26627 1 . ASN 60 60 26627 1 . GLY 61 61 26627 1 . THR 62 62 26627 1 . ILE 63 63 26627 1 . ASP 64 64 26627 1 . PHE 65 65 26627 1 . PRO 66 66 26627 1 . GLU 67 67 26627 1 . PHE 68 68 26627 1 . LEU 69 69 26627 1 . THR 70 70 26627 1 . MET 71 71 26627 1 . MET 72 72 26627 1 . ALA 73 73 26627 1 . ARG 74 74 26627 1 . LYS 75 75 26627 1 . MET 76 76 26627 1 . LYS 77 77 26627 1 . ASP 78 78 26627 1 . THR 79 79 26627 1 . ASP 80 80 26627 1 . SER 81 81 26627 1 . GLU 82 82 26627 1 . GLU 83 83 26627 1 . GLU 84 84 26627 1 . ILE 85 85 26627 1 . ARG 86 86 26627 1 . GLU 87 87 26627 1 . ALA 88 88 26627 1 . PHE 89 89 26627 1 . ARG 90 90 26627 1 . VAL 91 91 26627 1 . PHE 92 92 26627 1 . ASP 93 93 26627 1 . LYS 94 94 26627 1 . ASP 95 95 26627 1 . GLY 96 96 26627 1 . ASN 97 97 26627 1 . GLY 98 98 26627 1 . TYR 99 99 26627 1 . ILE 100 100 26627 1 . SER 101 101 26627 1 . ALA 102 102 26627 1 . ALA 103 103 26627 1 . GLU 104 104 26627 1 . LEU 105 105 26627 1 . ARG 106 106 26627 1 . HIS 107 107 26627 1 . VAL 108 108 26627 1 . MET 109 109 26627 1 . THR 110 110 26627 1 . ASN 111 111 26627 1 . LEU 112 112 26627 1 . GLY 113 113 26627 1 . GLU 114 114 26627 1 . LYS 115 115 26627 1 . LEU 116 116 26627 1 . THR 117 117 26627 1 . ASP 118 118 26627 1 . GLU 119 119 26627 1 . GLU 120 120 26627 1 . VAL 121 121 26627 1 . ASP 122 122 26627 1 . GLU 123 123 26627 1 . MET 124 124 26627 1 . ILE 125 125 26627 1 . ARG 126 126 26627 1 . GLU 127 127 26627 1 . ALA 128 128 26627 1 . ASP 129 129 26627 1 . ILE 130 130 26627 1 . ASP 131 131 26627 1 . GLY 132 132 26627 1 . ASP 133 133 26627 1 . GLY 134 134 26627 1 . GLN 135 135 26627 1 . VAL 136 136 26627 1 . ASN 137 137 26627 1 . TYR 138 138 26627 1 . GLU 139 139 26627 1 . GLU 140 140 26627 1 . PHE 141 141 26627 1 . VAL 142 142 26627 1 . GLN 143 143 26627 1 . MET 144 144 26627 1 . MET 145 145 26627 1 . THR 146 146 26627 1 . ALA 147 147 26627 1 . LYS 148 148 26627 1 stop_ save_ save_Fas47-83 _Entity.Sf_category entity _Entity.Sf_framecode Fas47-83 _Entity.Entry_ID 26627 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Fas47-83 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID F _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SVQDTAEQKVQLLRNWHQLH GKKEAYDTLIKDLKKANLC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Serine 1 is an artefact from SUMO-Fas fusion protein. Peptide is a fragment of FAS death domain, FAS residues 267-304. ; _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 39 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4568.261 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes GenBank TmpAcc . TmpAcc1 . . . . . . . . . . . . . . 26627 2 2 yes NCBI NP_000034.1 . FAS . . . . . . . . . . . . . . 26627 2 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 . SER . 26627 2 2 251 VAL . 26627 2 3 252 GLN . 26627 2 4 253 ASP . 26627 2 5 254 THR . 26627 2 6 255 ALA . 26627 2 7 256 GLU . 26627 2 8 257 GLN . 26627 2 9 258 LYS . 26627 2 10 259 VAL . 26627 2 11 260 GLN . 26627 2 12 261 LEU . 26627 2 13 262 LEU . 26627 2 14 263 ARG . 26627 2 15 264 ASN . 26627 2 16 265 TRP . 26627 2 17 266 HIS . 26627 2 18 267 GLN . 26627 2 19 268 LEU . 26627 2 20 269 HIS . 26627 2 21 270 GLY . 26627 2 22 271 LYS . 26627 2 23 272 LYS . 26627 2 24 273 GLU . 26627 2 25 274 ALA . 26627 2 26 275 TYR . 26627 2 27 276 ASP . 26627 2 28 277 THR . 26627 2 29 278 LEU . 26627 2 30 279 ILE . 26627 2 31 280 LYS . 26627 2 32 281 ASP . 26627 2 33 282 LEU . 26627 2 34 283 LYS . 26627 2 35 284 LYS . 26627 2 36 285 ALA . 26627 2 37 286 ASN . 26627 2 38 287 LEU . 26627 2 39 288 CYS . 26627 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 26627 2 . VAL 2 2 26627 2 . GLN 3 3 26627 2 . ASP 4 4 26627 2 . THR 5 5 26627 2 . ALA 6 6 26627 2 . GLU 7 7 26627 2 . GLN 8 8 26627 2 . LYS 9 9 26627 2 . VAL 10 10 26627 2 . GLN 11 11 26627 2 . LEU 12 12 26627 2 . LEU 13 13 26627 2 . ARG 14 14 26627 2 . ASN 15 15 26627 2 . TRP 16 16 26627 2 . HIS 17 17 26627 2 . GLN 18 18 26627 2 . LEU 19 19 26627 2 . HIS 20 20 26627 2 . GLY 21 21 26627 2 . LYS 22 22 26627 2 . LYS 23 23 26627 2 . GLU 24 24 26627 2 . ALA 25 25 26627 2 . TYR 26 26 26627 2 . ASP 27 27 26627 2 . THR 28 28 26627 2 . LEU 29 29 26627 2 . ILE 30 30 26627 2 . LYS 31 31 26627 2 . ASP 32 32 26627 2 . LEU 33 33 26627 2 . LYS 34 34 26627 2 . LYS 35 35 26627 2 . ALA 36 36 26627 2 . ASN 37 37 26627 2 . LEU 38 38 26627 2 . CYS 39 39 26627 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26627 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CaM . 10116 organism . 'Rattus norvegicus' Rat 'Norway rat' . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 26627 1 2 2 $Fas47-83 . 9606 organism . 'Homo sapiens' Human human . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26627 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 26627 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CaM . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21 . . . . . pT7-7 . . . 26627 1 2 2 $Fas47-83 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21 . . . . . pET . . . 26627 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 26627 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CaM '[[U-95% 13C; U-95% 15N]]' . . 1 $CaM . . 0.5 . . mM . . . . 26627 1 2 Fas47-83 'natural abundance' . . 2 $Fas47-83 . . 0.5 . . mM . . . . 26627 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 26627 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 26627 1 5 Tris 'natural abundance' . . . . . . 50 . . mM . . . . 26627 1 6 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 26627 1 7 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 26627 1 stop_ save_ save_13C15N _Sample.Sf_category sample _Sample.Sf_framecode 13C15N _Sample.Entry_ID 26627 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CaM '[[U-95% 13C; U-95% 15N]]' . . 1 $CaM . . 0.5 . . mM . . . . 26627 2 2 Fas47-83 'natural abundance' . . 2 $Fas47-83 . . 0.5 . . mM . . . . 26627 2 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 26627 2 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 26627 2 5 Tris 'natural abundance' . . . . . . 50 . . mM . . . . 26627 2 6 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 26627 2 7 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 26627 2 stop_ save_ save_13C15N_2 _Sample.Sf_category sample _Sample.Sf_framecode 13C15N_2 _Sample.Entry_ID 26627 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CaM 'natural abundance' . . 1 $CaM . . 0.3 . . mM . . . . 26627 3 2 Fas47-83 '[[U-95% 13C; U-95% 15N]]' . . 2 $Fas47-83 . . 0.3 . . mM . . . . 26627 3 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 26627 3 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 26627 3 5 Tris 'natural abundance' . . . . . . 50 . . mM . . . . 26627 3 6 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 26627 3 7 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 26627 3 stop_ save_ ####################### # Sample conditions # ####################### save_cond _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond _Sample_condition_list.Entry_ID 26627 _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' 0.115 . M 26627 1 pH 7.000 . pH 26627 1 pressure 1.000 . atm 26627 1 temperature 308.000 . K 26627 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 26627 _Software.ID 1 _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 26627 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26627 1 stop_ save_ save_nmrDraw _Software.Sf_category software _Software.Sf_framecode nmrDraw _Software.Entry_ID 26627 _Software.ID 2 _Software.Name nmrDraw _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26627 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum analysis' 26627 2 'Spectrum display' 26627 2 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 26627 _Software.ID 3 _Software.Name nmrPipe _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26627 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum processing' 26627 3 stop_ save_ save_nmrView _Software.Sf_category software _Software.Sf_framecode nmrView _Software.Entry_ID 26627 _Software.ID 4 _Software.Name nmrView _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 26627 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum analysis' 26627 4 'Spectrum display' 26627 4 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 26627 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26627 _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 DMX . 700 . . . 26627 1 stop_ save_ save_CTCI _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode CTCI _NMR_spectrometer_probe.Entry_ID 26627 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer . _NMR_spectrometer_probe.Model . _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter . _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 26627 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 26627 _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/HMQC' no . . . . . . . . . . 1 $15N isotropic . . 1 $cond . . . 1 $spectrometer_1 1 $CTCI . . . . . . . . . . . . . . 26627 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N isotropic . . 1 $cond . . . 1 $spectrometer_1 1 $CTCI . . . . . . . . . . . . . . 26627 1 3 '3D HNCA' no . . . . . . . . . . 2 $13C15N isotropic . . 1 $cond . . . 1 $spectrometer_1 1 $CTCI . . . . . . . . . . . . . . 26627 1 4 '3D HNCACB' no . . . . . . . . . . 2 $13C15N isotropic . . 1 $cond . . . 1 $spectrometer_1 1 $CTCI . . . . . . . . . . . . . . 26627 1 5 'cf_HNcoCA (H[N[co[{CA|ca[C]}]]])' no . . . . . . . . . . 2 $13C15N isotropic . . 1 $cond . . . 1 $spectrometer_1 1 $CTCI . . . . . . . . . . . . . . 26627 1 6 'cf_HNcoCACB (H[N[co[{CA|ca[C]}]]])' no . . . . . . . . . . 2 $13C15N isotropic . . 1 $cond . . . 1 $spectrometer_1 1 $CTCI . . . . . . . . . . . . . . 26627 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . 3 $13C15N_2 isotropic . . 1 $cond . . . 1 $spectrometer_1 1 $CTCI . . . . . . . . . . . . . . 26627 1 8 '3D HNCO' no . . . . . . . . . . 3 $13C15N_2 isotropic . . 1 $cond . . . 1 $spectrometer_1 1 $CTCI . . . . . . . . . . . . . . 26627 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 26627 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26627 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26627 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26627 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 26627 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond _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/HMQC' 1 $15N isotropic 26627 1 2 '3D 1H-15N NOESY' 1 $15N isotropic 26627 1 3 '3D HNCA' 2 $13C15N isotropic 26627 1 4 '3D HNCACB' 2 $13C15N isotropic 26627 1 5 'cf_HNcoCA (H[N[co[{CA|ca[C]}]]])' 2 $13C15N isotropic 26627 1 6 'cf_HNcoCACB (H[N[co[{CA|ca[C]}]]])' 2 $13C15N isotropic 26627 1 7 '3D 1H-15N TOCSY' 3 $13C15N_2 isotropic 26627 1 8 '3D HNCO' 3 $13C15N_2 isotropic 26627 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 26627 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASP CA C 13 54.662 0.053 . 1 . 340 . . 2 ASP CA . 26627 1 2 . 1 1 2 2 ASP CB C 13 41.345 . . 1 . 342 . . 2 ASP CB . 26627 1 3 . 1 1 3 3 GLN H H 1 8.330 0.001 . 1 . 339 . . 3 GLN H . 26627 1 4 . 1 1 3 3 GLN CA C 13 55.549 0.07 . 1 . 337 . . 3 GLN CA . 26627 1 5 . 1 1 3 3 GLN CB C 13 29.747 0.072 . 1 . 343 . . 3 GLN CB . 26627 1 6 . 1 1 3 3 GLN N N 15 119.859 0.028 . 1 . 338 . . 3 GLN N . 26627 1 7 . 1 1 4 4 LEU H H 1 8.261 0.001 . 1 . 334 . . 4 LEU H . 26627 1 8 . 1 1 4 4 LEU CA C 13 54.444 0.053 . 1 . 336 . . 4 LEU CA . 26627 1 9 . 1 1 4 4 LEU CB C 13 43.547 0.011 . 1 . 341 . . 4 LEU CB . 26627 1 10 . 1 1 4 4 LEU N N 15 123.177 0.037 . 1 . 335 . . 4 LEU N . 26627 1 11 . 1 1 5 5 THR H H 1 8.656 0.01 . 1 . 345 . . 5 THR H . 26627 1 12 . 1 1 5 5 THR CA C 13 60.520 0.087 . 1 . 347 . . 5 THR CA . 26627 1 13 . 1 1 5 5 THR CB C 13 71.142 0.002 . 1 . 346 . . 5 THR CB . 26627 1 14 . 1 1 5 5 THR N N 15 113.057 0.037 . 1 . 344 . . 5 THR N . 26627 1 15 . 1 1 6 6 GLU H H 1 8.998 0.004 . 1 . 349 . . 6 GLU H . 26627 1 16 . 1 1 6 6 GLU CA C 13 60.015 0.036 . 1 . 351 . . 6 GLU CA . 26627 1 17 . 1 1 6 6 GLU CB C 13 29.160 0.003 . 1 . 350 . . 6 GLU CB . 26627 1 18 . 1 1 6 6 GLU N N 15 120.477 0.049 . 1 . 348 . . 6 GLU N . 26627 1 19 . 1 1 7 7 GLU H H 1 8.693 0.008 . 1 . 353 . . 7 GLU H . 26627 1 20 . 1 1 7 7 GLU CA C 13 59.919 0.007 . 1 . 354 . . 7 GLU CA . 26627 1 21 . 1 1 7 7 GLU CB C 13 28.935 0.001 . 1 . 355 . . 7 GLU CB . 26627 1 22 . 1 1 7 7 GLU N N 15 119.500 0.032 . 1 . 352 . . 7 GLU N . 26627 1 23 . 1 1 8 8 GLN H H 1 7.711 0.004 . 1 . 356 . . 8 GLN H . 26627 1 24 . 1 1 8 8 GLN CA C 13 58.603 0.043 . 1 . 360 . . 8 GLN CA . 26627 1 25 . 1 1 8 8 GLN CB C 13 29.266 0.051 . 1 . 363 . . 8 GLN CB . 26627 1 26 . 1 1 8 8 GLN N N 15 120.356 0.068 . 1 . 357 . . 8 GLN N . 26627 1 27 . 1 1 9 9 ILE H H 1 8.330 0.005 . 1 . 359 . . 9 ILE H . 26627 1 28 . 1 1 9 9 ILE CA C 13 66.205 0.01 . 1 . 361 . . 9 ILE CA . 26627 1 29 . 1 1 9 9 ILE CB C 13 37.769 0.025 . 1 . 362 . . 9 ILE CB . 26627 1 30 . 1 1 9 9 ILE N N 15 119.476 0.049 . 1 . 358 . . 9 ILE N . 26627 1 31 . 1 1 10 10 ALA H H 1 8.004 0.005 . 1 . 372 . . 10 ALA H . 26627 1 32 . 1 1 10 10 ALA CA C 13 55.415 0.04 . 1 . 373 . . 10 ALA CA . 26627 1 33 . 1 1 10 10 ALA CB C 13 17.814 0.034 . 1 . 374 . . 10 ALA CB . 26627 1 34 . 1 1 10 10 ALA N N 15 121.252 0.034 . 1 . 371 . . 10 ALA N . 26627 1 35 . 1 1 11 11 GLU H H 1 7.774 0.005 . 1 . 376 . . 11 GLU H . 26627 1 36 . 1 1 11 11 GLU CA C 13 59.372 0.01 . 1 . 378 . . 11 GLU CA . 26627 1 37 . 1 1 11 11 GLU CB C 13 29.134 0.04 . 1 . 377 . . 11 GLU CB . 26627 1 38 . 1 1 11 11 GLU N N 15 119.722 0.044 . 1 . 375 . . 11 GLU N . 26627 1 39 . 1 1 12 12 PHE H H 1 8.526 0.007 . 1 . 380 . . 12 PHE H . 26627 1 40 . 1 1 12 12 PHE CA C 13 59.269 0.043 . 1 . 381 . . 12 PHE CA . 26627 1 41 . 1 1 12 12 PHE CB C 13 37.651 0.036 . 1 . 382 . . 12 PHE CB . 26627 1 42 . 1 1 12 12 PHE N N 15 119.993 0.056 . 1 . 379 . . 12 PHE N . 26627 1 43 . 1 1 13 13 LYS H H 1 9.191 0.002 . 1 . 383 . . 13 LYS H . 26627 1 44 . 1 1 13 13 LYS CA C 13 60.071 0.018 . 1 . 385 . . 13 LYS CA . 26627 1 45 . 1 1 13 13 LYS CB C 13 31.791 0.044 . 1 . 386 . . 13 LYS CB . 26627 1 46 . 1 1 13 13 LYS N N 15 123.639 0.061 . 1 . 384 . . 13 LYS N . 26627 1 47 . 1 1 14 14 GLU H H 1 7.881 0.012 . 1 . 388 . . 14 GLU H . 26627 1 48 . 1 1 14 14 GLU CA C 13 59.415 0.05 . 1 . 389 . . 14 GLU CA . 26627 1 49 . 1 1 14 14 GLU CB C 13 29.040 0.103 . 1 . 390 . . 14 GLU CB . 26627 1 50 . 1 1 14 14 GLU N N 15 120.600 0.113 . 1 . 387 . . 14 GLU N . 26627 1 51 . 1 1 15 15 ALA H H 1 7.988 0.005 . 1 . 392 . . 15 ALA H . 26627 1 52 . 1 1 15 15 ALA HB1 H 1 1.929 0.0 . 1 . 393 . . 15 ALA HB1 . 26627 1 53 . 1 1 15 15 ALA HB2 H 1 1.929 0.0 . 1 . 393 . . 15 ALA HB2 . 26627 1 54 . 1 1 15 15 ALA HB3 H 1 1.929 0.0 . 1 . 393 . . 15 ALA HB3 . 26627 1 55 . 1 1 15 15 ALA CA C 13 55.324 0.038 . 1 . 398 . . 15 ALA CA . 26627 1 56 . 1 1 15 15 ALA CB C 13 18.181 . . 1 . 399 . . 15 ALA CB . 26627 1 57 . 1 1 15 15 ALA N N 15 122.022 0.112 . 1 . 391 . . 15 ALA N . 26627 1 58 . 1 1 16 16 PHE H H 1 8.733 0.009 . 1 . 394 . . 16 PHE H . 26627 1 59 . 1 1 16 16 PHE CA C 13 61.992 0.036 . 1 . 397 . . 16 PHE CA . 26627 1 60 . 1 1 16 16 PHE CB C 13 39.631 0.063 . 1 . 396 . . 16 PHE CB . 26627 1 61 . 1 1 16 16 PHE N N 15 118.898 0.047 . 1 . 395 . . 16 PHE N . 26627 1 62 . 1 1 17 17 SER H H 1 8.037 0.007 . 1 . 401 . . 17 SER H . 26627 1 63 . 1 1 17 17 SER CA C 13 61.499 0.01 . 1 . 402 . . 17 SER CA . 26627 1 64 . 1 1 17 17 SER CB C 13 63.173 0.052 . 1 . 403 . . 17 SER CB . 26627 1 65 . 1 1 17 17 SER N N 15 113.436 0.084 . 1 . 400 . . 17 SER N . 26627 1 66 . 1 1 18 18 LEU H H 1 7.411 0.005 . 1 . 409 . . 18 LEU H . 26627 1 67 . 1 1 18 18 LEU CA C 13 56.924 0.065 . 1 . 407 . . 18 LEU CA . 26627 1 68 . 1 1 18 18 LEU CB C 13 41.445 0.003 . 1 . 410 . . 18 LEU CB . 26627 1 69 . 1 1 18 18 LEU N N 15 120.290 0.09 . 1 . 408 . . 18 LEU N . 26627 1 70 . 1 1 19 19 PHE H H 1 7.159 0.006 . 1 . 405 . . 19 PHE H . 26627 1 71 . 1 1 19 19 PHE CA C 13 58.926 0.037 . 1 . 406 . . 19 PHE CA . 26627 1 72 . 1 1 19 19 PHE CB C 13 41.379 0.036 . 1 . 413 . . 19 PHE CB . 26627 1 73 . 1 1 19 19 PHE N N 15 113.949 0.071 . 1 . 404 . . 19 PHE N . 26627 1 74 . 1 1 20 20 ASP H H 1 7.676 0.004 . 1 . 412 . . 20 ASP H . 26627 1 75 . 1 1 20 20 ASP CA C 13 52.315 0.006 . 1 . 414 . . 20 ASP CA . 26627 1 76 . 1 1 20 20 ASP CB C 13 39.047 0.06 . 1 . 415 . . 20 ASP CB . 26627 1 77 . 1 1 20 20 ASP N N 15 116.947 0.031 . 1 . 411 . . 20 ASP N . 26627 1 78 . 1 1 21 21 LYS H H 1 7.612 0.01 . 1 . 417 . . 21 LYS H . 26627 1 79 . 1 1 21 21 LYS CA C 13 58.139 0.05 . 1 . 418 . . 21 LYS CA . 26627 1 80 . 1 1 21 21 LYS CB C 13 32.345 0.017 . 1 . 423 . . 21 LYS CB . 26627 1 81 . 1 1 21 21 LYS N N 15 124.330 0.058 . 1 . 416 . . 21 LYS N . 26627 1 82 . 1 1 22 22 ASP H H 1 8.102 0.004 . 1 . 420 . . 22 ASP H . 26627 1 83 . 1 1 22 22 ASP CA C 13 52.855 0.013 . 1 . 421 . . 22 ASP CA . 26627 1 84 . 1 1 22 22 ASP CB C 13 39.520 0.041 . 1 . 422 . . 22 ASP CB . 26627 1 85 . 1 1 22 22 ASP N N 15 114.133 0.047 . 1 . 419 . . 22 ASP N . 26627 1 86 . 1 1 23 23 GLY H H 1 7.665 0.003 . 1 . 425 . . 23 GLY H . 26627 1 87 . 1 1 23 23 GLY CA C 13 47.253 0.042 . 1 . 426 . . 23 GLY CA . 26627 1 88 . 1 1 23 23 GLY N N 15 109.369 0.051 . 1 . 424 . . 23 GLY N . 26627 1 89 . 1 1 24 24 ASP H H 1 8.442 0.003 . 1 . 431 . . 24 ASP H . 26627 1 90 . 1 1 24 24 ASP CA C 13 53.725 0.035 . 1 . 432 . . 24 ASP CA . 26627 1 91 . 1 1 24 24 ASP CB C 13 40.424 0.02 . 1 . 429 . . 24 ASP CB . 26627 1 92 . 1 1 24 24 ASP N N 15 120.905 0.049 . 1 . 430 . . 24 ASP N . 26627 1 93 . 1 1 25 25 GLY H H 1 10.544 0.01 . 1 . 428 . . 25 GLY H . 26627 1 94 . 1 1 25 25 GLY CA C 13 45.444 0.05 . 1 . 433 . . 25 GLY CA . 26627 1 95 . 1 1 25 25 GLY N N 15 113.000 0.048 . 1 . 427 . . 25 GLY N . 26627 1 96 . 1 1 26 26 THR H H 1 8.192 0.003 . 1 . 435 . . 26 THR H . 26627 1 97 . 1 1 26 26 THR CA C 13 59.655 0.005 . 1 . 436 . . 26 THR CA . 26627 1 98 . 1 1 26 26 THR CB C 13 72.679 0.003 . 1 . 437 . . 26 THR CB . 26627 1 99 . 1 1 26 26 THR N N 15 112.405 0.059 . 1 . 434 . . 26 THR N . 26627 1 100 . 1 1 27 27 ILE H H 1 9.876 0.009 . 1 . 439 . . 27 ILE H . 26627 1 101 . 1 1 27 27 ILE CA C 13 61.003 0.027 . 1 . 440 . . 27 ILE CA . 26627 1 102 . 1 1 27 27 ILE CB C 13 39.767 0.053 . 1 . 441 . . 27 ILE CB . 26627 1 103 . 1 1 27 27 ILE N N 15 126.981 0.04 . 1 . 438 . . 27 ILE N . 26627 1 104 . 1 1 28 28 THR H H 1 8.359 0.011 . 1 . 443 . . 28 THR H . 26627 1 105 . 1 1 28 28 THR CA C 13 59.312 0.012 . 1 . 444 . . 28 THR CA . 26627 1 106 . 1 1 28 28 THR CB C 13 72.355 0.022 . 1 . 445 . . 28 THR CB . 26627 1 107 . 1 1 28 28 THR N N 15 116.370 0.043 . 1 . 442 . . 28 THR N . 26627 1 108 . 1 1 29 29 THR H H 1 9.209 0.007 . 1 . 447 . . 29 THR H . 26627 1 109 . 1 1 29 29 THR CA C 13 66.401 0.033 . 1 . 448 . . 29 THR CA . 26627 1 110 . 1 1 29 29 THR CB C 13 67.810 0.033 . 1 . 449 . . 29 THR CB . 26627 1 111 . 1 1 29 29 THR N N 15 112.814 0.077 . 1 . 446 . . 29 THR N . 26627 1 112 . 1 1 30 30 LYS H H 1 7.624 0.008 . 1 . 451 . . 30 LYS H . 26627 1 113 . 1 1 30 30 LYS CA C 13 59.248 0.062 . 1 . 452 . . 30 LYS CA . 26627 1 114 . 1 1 30 30 LYS CB C 13 32.424 0.043 . 1 . 453 . . 30 LYS CB . 26627 1 115 . 1 1 30 30 LYS N N 15 120.903 0.052 . 1 . 450 . . 30 LYS N . 26627 1 116 . 1 1 31 31 GLU H H 1 7.735 0.01 . 1 . 455 . . 31 GLU H . 26627 1 117 . 1 1 31 31 GLU CA C 13 59.592 0.025 . 1 . 456 . . 31 GLU CA . 26627 1 118 . 1 1 31 31 GLU CB C 13 29.585 0.036 . 1 . 457 . . 31 GLU CB . 26627 1 119 . 1 1 31 31 GLU N N 15 121.816 0.079 . 1 . 454 . . 31 GLU N . 26627 1 120 . 1 1 32 32 LEU H H 1 8.613 0.009 . 1 . 459 . . 32 LEU H . 26627 1 121 . 1 1 32 32 LEU CA C 13 58.119 0.051 . 1 . 461 . . 32 LEU CA . 26627 1 122 . 1 1 32 32 LEU CB C 13 42.455 0.027 . 1 . 460 . . 32 LEU CB . 26627 1 123 . 1 1 32 32 LEU N N 15 120.531 0.07 . 1 . 458 . . 32 LEU N . 26627 1 124 . 1 1 33 33 GLY H H 1 8.717 0.01 . 1 . 463 . . 33 GLY H . 26627 1 125 . 1 1 33 33 GLY CA C 13 48.387 0.009 . 1 . 464 . . 33 GLY CA . 26627 1 126 . 1 1 33 33 GLY N N 15 105.998 0.076 . 1 . 462 . . 33 GLY N . 26627 1 127 . 1 1 34 34 THR H H 1 8.020 0.006 . 1 . 466 . . 34 THR H . 26627 1 128 . 1 1 34 34 THR CA C 13 67.110 0.051 . 1 . 467 . . 34 THR CA . 26627 1 129 . 1 1 34 34 THR CB C 13 68.741 0.056 . 1 . 468 . . 34 THR CB . 26627 1 130 . 1 1 34 34 THR N N 15 118.568 0.033 . 1 . 465 . . 34 THR N . 26627 1 131 . 1 1 35 35 VAL H H 1 7.792 0.005 . 1 . 469 . . 35 VAL H . 26627 1 132 . 1 1 35 35 VAL CA C 13 66.397 0.021 . 1 . 471 . . 35 VAL CA . 26627 1 133 . 1 1 35 35 VAL CB C 13 31.410 0.074 . 1 . 472 . . 35 VAL CB . 26627 1 134 . 1 1 35 35 VAL N N 15 122.035 0.046 . 1 . 470 . . 35 VAL N . 26627 1 135 . 1 1 36 36 MET H H 1 8.476 0.005 . 1 . 474 . . 36 MET H . 26627 1 136 . 1 1 36 36 MET CA C 13 59.702 0.009 . 1 . 475 . . 36 MET CA . 26627 1 137 . 1 1 36 36 MET N N 15 118.836 0.057 . 1 . 473 . . 36 MET N . 26627 1 138 . 1 1 37 37 ARG H H 1 8.619 0.004 . 1 . 482 . . 37 ARG H . 26627 1 139 . 1 1 37 37 ARG CA C 13 59.218 0.016 . 1 . 480 . . 37 ARG CA . 26627 1 140 . 1 1 37 37 ARG CB C 13 30.042 0.053 . 1 . 483 . . 37 ARG CB . 26627 1 141 . 1 1 37 37 ARG N N 15 119.273 0.043 . 1 . 481 . . 37 ARG N . 26627 1 142 . 1 1 38 38 SER H H 1 7.980 0.005 . 1 . 477 . . 38 SER H . 26627 1 143 . 1 1 38 38 SER CA C 13 61.529 0.067 . 1 . 478 . . 38 SER CA . 26627 1 144 . 1 1 38 38 SER CB C 13 62.521 0.07 . 1 . 479 . . 38 SER CB . 26627 1 145 . 1 1 38 38 SER N N 15 118.892 0.035 . 1 . 476 . . 38 SER N . 26627 1 146 . 1 1 39 39 LEU H H 1 7.288 0.004 . 1 . 485 . . 39 LEU H . 26627 1 147 . 1 1 39 39 LEU CA C 13 54.423 0.052 . 1 . 486 . . 39 LEU CA . 26627 1 148 . 1 1 39 39 LEU CB C 13 42.034 0.04 . 1 . 487 . . 39 LEU CB . 26627 1 149 . 1 1 39 39 LEU N N 15 120.801 0.064 . 1 . 484 . . 39 LEU N . 26627 1 150 . 1 1 40 40 GLY H H 1 7.870 0.003 . 1 . 489 . . 40 GLY H . 26627 1 151 . 1 1 40 40 GLY CA C 13 45.617 0.039 . 1 . 490 . . 40 GLY CA . 26627 1 152 . 1 1 40 40 GLY N N 15 107.047 0.062 . 1 . 488 . . 40 GLY N . 26627 1 153 . 1 1 41 41 GLN H H 1 7.721 0.005 . 1 . 492 . . 41 GLN H . 26627 1 154 . 1 1 41 41 GLN CA C 13 54.507 0.021 . 1 . 493 . . 41 GLN CA . 26627 1 155 . 1 1 41 41 GLN CB C 13 30.376 0.005 . 1 . 496 . . 41 GLN CB . 26627 1 156 . 1 1 41 41 GLN N N 15 118.256 0.058 . 1 . 491 . . 41 GLN N . 26627 1 157 . 1 1 42 42 ASN H H 1 8.689 0.005 . 1 . 495 . . 42 ASN H . 26627 1 158 . 1 1 42 42 ASN CA C 13 51.199 0.034 . 1 . 498 . . 42 ASN CA . 26627 1 159 . 1 1 42 42 ASN CB C 13 39.165 . . 1 . 497 . . 42 ASN CB . 26627 1 160 . 1 1 42 42 ASN N N 15 116.428 0.05 . 1 . 494 . . 42 ASN N . 26627 1 161 . 1 1 43 43 PRO CA C 13 62.412 0.067 . 1 . 502 . . 43 PRO CA . 26627 1 162 . 1 1 43 43 PRO CB C 13 31.990 0.072 . 1 . 504 . . 43 PRO CB . 26627 1 163 . 1 1 44 44 THR H H 1 8.706 0.008 . 1 . 500 . . 44 THR H . 26627 1 164 . 1 1 44 44 THR CA C 13 60.408 0.024 . 1 . 501 . . 44 THR CA . 26627 1 165 . 1 1 44 44 THR CB C 13 71.099 0.016 . 1 . 503 . . 44 THR CB . 26627 1 166 . 1 1 44 44 THR N N 15 112.805 0.061 . 1 . 499 . . 44 THR N . 26627 1 167 . 1 1 45 45 GLU H H 1 8.785 0.004 . 1 . 506 . . 45 GLU H . 26627 1 168 . 1 1 45 45 GLU CA C 13 59.922 0.024 . 1 . 507 . . 45 GLU CA . 26627 1 169 . 1 1 45 45 GLU CB C 13 28.975 0.024 . 1 . 519 . . 45 GLU CB . 26627 1 170 . 1 1 45 45 GLU N N 15 120.719 0.034 . 1 . 505 . . 45 GLU N . 26627 1 171 . 1 1 46 46 ALA H H 1 8.232 0.002 . 1 . 509 . . 46 ALA H . 26627 1 172 . 1 1 46 46 ALA CA C 13 55.007 0.066 . 1 . 510 . . 46 ALA CA . 26627 1 173 . 1 1 46 46 ALA CB C 13 18.175 0.036 . 1 . 511 . . 46 ALA CB . 26627 1 174 . 1 1 46 46 ALA N N 15 120.706 0.046 . 1 . 508 . . 46 ALA N . 26627 1 175 . 1 1 47 47 GLU H H 1 7.669 0.004 . 1 . 513 . . 47 GLU H . 26627 1 176 . 1 1 47 47 GLU CA C 13 59.069 0.032 . 1 . 514 . . 47 GLU CA . 26627 1 177 . 1 1 47 47 GLU CB C 13 29.760 . . 1 . 515 . . 47 GLU CB . 26627 1 178 . 1 1 47 47 GLU N N 15 118.867 0.05 . 1 . 512 . . 47 GLU N . 26627 1 179 . 1 1 48 48 LEU H H 1 8.048 0.006 . 1 . 517 . . 48 LEU H . 26627 1 180 . 1 1 48 48 LEU CA C 13 57.826 0.075 . 1 . 518 . . 48 LEU CA . 26627 1 181 . 1 1 48 48 LEU CB C 13 42.373 0.022 . 1 . 529 . . 48 LEU CB . 26627 1 182 . 1 1 48 48 LEU N N 15 119.851 0.05 . 1 . 516 . . 48 LEU N . 26627 1 183 . 1 1 49 49 GLN H H 1 8.223 0.008 . 1 . 527 . . 49 GLN H . 26627 1 184 . 1 1 49 49 GLN CA C 13 58.580 0.039 . 1 . 525 . . 49 GLN CA . 26627 1 185 . 1 1 49 49 GLN CB C 13 28.025 0.077 . 1 . 531 . . 49 GLN CB . 26627 1 186 . 1 1 49 49 GLN N N 15 118.275 0.068 . 1 . 526 . . 49 GLN N . 26627 1 187 . 1 1 50 50 ASP H H 1 8.082 0.006 . 1 . 521 . . 50 ASP H . 26627 1 188 . 1 1 50 50 ASP CA C 13 57.609 0.045 . 1 . 524 . . 50 ASP CA . 26627 1 189 . 1 1 50 50 ASP CB C 13 40.381 0.015 . 1 . 530 . . 50 ASP CB . 26627 1 190 . 1 1 50 50 ASP N N 15 119.941 0.048 . 1 . 520 . . 50 ASP N . 26627 1 191 . 1 1 51 51 MET H H 1 7.827 0.002 . 1 . 522 . . 51 MET H . 26627 1 192 . 1 1 51 51 MET CA C 13 59.436 0.052 . 1 . 528 . . 51 MET CA . 26627 1 193 . 1 1 51 51 MET CB C 13 33.325 0.056 . 1 . 532 . . 51 MET CB . 26627 1 194 . 1 1 51 51 MET N N 15 118.913 0.064 . 1 . 523 . . 51 MET N . 26627 1 195 . 1 1 52 52 ILE H H 1 7.800 0.006 . 1 . 534 . . 52 ILE H . 26627 1 196 . 1 1 52 52 ILE CA C 13 63.886 0.012 . 1 . 535 . . 52 ILE CA . 26627 1 197 . 1 1 52 52 ILE CB C 13 37.032 . . 1 . 539 . . 52 ILE CB . 26627 1 198 . 1 1 52 52 ILE N N 15 119.055 0.044 . 1 . 533 . . 52 ILE N . 26627 1 199 . 1 1 53 53 ASN H H 1 8.642 0.004 . 1 . 537 . . 53 ASN H . 26627 1 200 . 1 1 53 53 ASN CA C 13 55.923 0.024 . 1 . 538 . . 53 ASN CA . 26627 1 201 . 1 1 53 53 ASN CB C 13 38.049 0.03 . 1 . 540 . . 53 ASN CB . 26627 1 202 . 1 1 53 53 ASN N N 15 118.220 0.059 . 1 . 536 . . 53 ASN N . 26627 1 203 . 1 1 54 54 GLU H H 1 7.580 0.007 . 1 . 542 . . 54 GLU H . 26627 1 204 . 1 1 54 54 GLU CA C 13 58.857 0.036 . 1 . 544 . . 54 GLU CA . 26627 1 205 . 1 1 54 54 GLU CB C 13 30.143 . . 1 . 543 . . 54 GLU CB . 26627 1 206 . 1 1 54 54 GLU N N 15 116.335 0.034 . 1 . 541 . . 54 GLU N . 26627 1 207 . 1 1 55 55 VAL H H 1 7.196 0.005 . 1 . 546 . . 55 VAL H . 26627 1 208 . 1 1 55 55 VAL CA C 13 61.119 0.056 . 1 . 547 . . 55 VAL CA . 26627 1 209 . 1 1 55 55 VAL CB C 13 33.220 . . 1 . 552 . . 55 VAL CB . 26627 1 210 . 1 1 55 55 VAL N N 15 111.656 0.048 . 1 . 545 . . 55 VAL N . 26627 1 211 . 1 1 56 56 ASP H H 1 7.704 0.006 . 1 . 549 . . 56 ASP H . 26627 1 212 . 1 1 56 56 ASP CA C 13 53.787 0.067 . 1 . 550 . . 56 ASP CA . 26627 1 213 . 1 1 56 56 ASP CB C 13 40.430 0.058 . 1 . 551 . . 56 ASP CB . 26627 1 214 . 1 1 56 56 ASP N N 15 120.964 0.092 . 1 . 548 . . 56 ASP N . 26627 1 215 . 1 1 57 57 ALA H H 1 8.204 0.008 . 1 . 554 . . 57 ALA H . 26627 1 216 . 1 1 57 57 ALA CA C 13 54.306 0.072 . 1 . 555 . . 57 ALA CA . 26627 1 217 . 1 1 57 57 ALA CB C 13 19.753 . . 1 . 559 . . 57 ALA CB . 26627 1 218 . 1 1 57 57 ALA N N 15 131.669 0.063 . 1 . 553 . . 57 ALA N . 26627 1 219 . 1 1 58 58 ASP H H 1 8.221 0.007 . 1 . 557 . . 58 ASP H . 26627 1 220 . 1 1 58 58 ASP CA C 13 52.802 0.074 . 1 . 558 . . 58 ASP CA . 26627 1 221 . 1 1 58 58 ASP CB C 13 39.848 0.012 . 1 . 563 . . 58 ASP CB . 26627 1 222 . 1 1 58 58 ASP N N 15 114.037 0.056 . 1 . 556 . . 58 ASP N . 26627 1 223 . 1 1 59 59 GLY H H 1 7.586 0.007 . 1 . 561 . . 59 GLY H . 26627 1 224 . 1 1 59 59 GLY CA C 13 47.188 0.049 . 1 . 562 . . 59 GLY CA . 26627 1 225 . 1 1 59 59 GLY N N 15 108.647 0.049 . 1 . 560 . . 59 GLY N . 26627 1 226 . 1 1 60 60 ASN H H 1 8.163 0.005 . 1 . 565 . . 60 ASN H . 26627 1 227 . 1 1 60 60 ASN HD21 H 1 6.970 . . 1 . 826 . . 60 ASN HD21 . 26627 1 228 . 1 1 60 60 ASN HD22 H 1 7.731 . . 1 . 827 . . 60 ASN HD22 . 26627 1 229 . 1 1 60 60 ASN CA C 13 52.656 0.016 . 1 . 566 . . 60 ASN CA . 26627 1 230 . 1 1 60 60 ASN CB C 13 37.535 0.04 . 1 . 567 . . 60 ASN CB . 26627 1 231 . 1 1 60 60 ASN N N 15 118.827 0.038 . 1 . 564 . . 60 ASN N . 26627 1 232 . 1 1 60 60 ASN ND2 N 15 115.198 0.006 . 1 . 825 . . 60 ASN ND2 . 26627 1 233 . 1 1 61 61 GLY H H 1 10.519 0.004 . 1 . 569 . . 61 GLY H . 26627 1 234 . 1 1 61 61 GLY CA C 13 45.661 0.033 . 1 . 570 . . 61 GLY CA . 26627 1 235 . 1 1 61 61 GLY N N 15 113.333 0.039 . 1 . 568 . . 61 GLY N . 26627 1 236 . 1 1 62 62 THR H H 1 7.649 0.003 . 1 . 572 . . 62 THR H . 26627 1 237 . 1 1 62 62 THR CA C 13 59.395 0.028 . 1 . 573 . . 62 THR CA . 26627 1 238 . 1 1 62 62 THR CB C 13 72.154 0.036 . 1 . 574 . . 62 THR CB . 26627 1 239 . 1 1 62 62 THR N N 15 108.647 0.045 . 1 . 571 . . 62 THR N . 26627 1 240 . 1 1 63 63 ILE H H 1 8.762 0.006 . 1 . 576 . . 63 ILE H . 26627 1 241 . 1 1 63 63 ILE CA C 13 59.596 0.051 . 1 . 577 . . 63 ILE CA . 26627 1 242 . 1 1 63 63 ILE CB C 13 39.917 0.065 . 1 . 581 . . 63 ILE CB . 26627 1 243 . 1 1 63 63 ILE N N 15 123.711 0.063 . 1 . 575 . . 63 ILE N . 26627 1 244 . 1 1 64 64 ASP H H 1 8.903 0.007 . 1 . 579 . . 64 ASP H . 26627 1 245 . 1 1 64 64 ASP CA C 13 52.023 0.073 . 1 . 582 . . 64 ASP CA . 26627 1 246 . 1 1 64 64 ASP CB C 13 42.252 0.038 . 1 . 580 . . 64 ASP CB . 26627 1 247 . 1 1 64 64 ASP N N 15 128.319 0.061 . 1 . 578 . . 64 ASP N . 26627 1 248 . 1 1 65 65 PHE H H 1 8.924 0.004 . 1 . 584 . . 65 PHE H . 26627 1 249 . 1 1 65 65 PHE CA C 13 63.216 0.087 . 1 . 586 . . 65 PHE CA . 26627 1 250 . 1 1 65 65 PHE CB C 13 35.819 . . 1 . 585 . . 65 PHE CB . 26627 1 251 . 1 1 65 65 PHE N N 15 118.728 0.048 . 1 . 583 . . 65 PHE N . 26627 1 252 . 1 1 66 66 PRO CA C 13 66.844 0.051 . 1 . 590 . . 66 PRO CA . 26627 1 253 . 1 1 66 66 PRO CB C 13 30.704 . . 1 . 594 . . 66 PRO CB . 26627 1 254 . 1 1 67 67 GLU H H 1 8.151 0.009 . 1 . 588 . . 67 GLU H . 26627 1 255 . 1 1 67 67 GLU CA C 13 58.959 0.027 . 1 . 589 . . 67 GLU CA . 26627 1 256 . 1 1 67 67 GLU CB C 13 29.405 . . 1 . 595 . . 67 GLU CB . 26627 1 257 . 1 1 67 67 GLU N N 15 117.893 0.033 . 1 . 587 . . 67 GLU N . 26627 1 258 . 1 1 68 68 PHE H H 1 8.648 0.007 . 1 . 592 . . 68 PHE H . 26627 1 259 . 1 1 68 68 PHE CA C 13 61.422 0.057 . 1 . 593 . . 68 PHE CA . 26627 1 260 . 1 1 68 68 PHE N N 15 123.736 0.044 . 1 . 591 . . 68 PHE N . 26627 1 261 . 1 1 69 69 LEU H H 1 8.741 0.011 . 1 . 596 . . 69 LEU H . 26627 1 262 . 1 1 69 69 LEU CA C 13 57.901 0.045 . 1 . 598 . . 69 LEU CA . 26627 1 263 . 1 1 69 69 LEU CB C 13 41.095 . . 1 . 601 . . 69 LEU CB . 26627 1 264 . 1 1 69 69 LEU N N 15 119.608 0.115 . 1 . 597 . . 69 LEU N . 26627 1 265 . 1 1 70 70 THR H H 1 7.680 0.005 . 1 . 600 . . 70 THR H . 26627 1 266 . 1 1 70 70 THR CA C 13 66.566 0.044 . 1 . 602 . . 70 THR CA . 26627 1 267 . 1 1 70 70 THR CB C 13 68.427 0.082 . 1 . 603 . . 70 THR CB . 26627 1 268 . 1 1 70 70 THR N N 15 115.117 0.035 . 1 . 599 . . 70 THR N . 26627 1 269 . 1 1 71 71 MET H H 1 7.343 0.011 . 1 . 605 . . 71 MET H . 26627 1 270 . 1 1 71 71 MET CA C 13 58.692 0.097 . 1 . 606 . . 71 MET CA . 26627 1 271 . 1 1 71 71 MET CB C 13 31.881 . . 1 . 613 . . 71 MET CB . 26627 1 272 . 1 1 71 71 MET N N 15 120.776 0.074 . 1 . 604 . . 71 MET N . 26627 1 273 . 1 1 72 72 MET H H 1 7.886 0.008 . 1 . 611 . . 72 MET H . 26627 1 274 . 1 1 72 72 MET CA C 13 55.839 0.036 . 1 . 612 . . 72 MET CA . 26627 1 275 . 1 1 72 72 MET CB C 13 30.719 . . 1 . 617 . . 72 MET CB . 26627 1 276 . 1 1 72 72 MET N N 15 117.145 0.057 . 1 . 610 . . 72 MET N . 26627 1 277 . 1 1 73 73 ALA H H 1 8.160 0.01 . 1 . 614 . . 73 ALA H . 26627 1 278 . 1 1 73 73 ALA CA C 13 53.888 0.008 . 1 . 616 . . 73 ALA CA . 26627 1 279 . 1 1 73 73 ALA CB C 13 18.375 . . 1 . 621 . . 73 ALA CB . 26627 1 280 . 1 1 73 73 ALA N N 15 121.130 0.055 . 1 . 615 . . 73 ALA N . 26627 1 281 . 1 1 74 74 ARG H H 1 7.438 0.007 . 1 . 619 . . 74 ARG H . 26627 1 282 . 1 1 74 74 ARG CA C 13 57.913 0.034 . 1 . 620 . . 74 ARG CA . 26627 1 283 . 1 1 74 74 ARG CB C 13 30.093 . . 1 . 622 . . 74 ARG CB . 26627 1 284 . 1 1 74 74 ARG N N 15 117.456 0.057 . 1 . 618 . . 74 ARG N . 26627 1 285 . 1 1 75 75 LYS H H 1 7.858 0.005 . 1 . 624 . . 75 LYS H . 26627 1 286 . 1 1 75 75 LYS CA C 13 56.874 . . 1 . 625 . . 75 LYS CA . 26627 1 287 . 1 1 75 75 LYS N N 15 119.667 0.066 . 1 . 623 . . 75 LYS N . 26627 1 288 . 1 1 76 76 MET CA C 13 56.231 . . 1 . 638 . . 76 MET CA . 26627 1 289 . 1 1 76 76 MET CB C 13 32.927 . . 1 . 639 . . 76 MET CB . 26627 1 290 . 1 1 77 77 LYS H H 1 7.904 0.013 . 1 . 636 . . 77 LYS H . 26627 1 291 . 1 1 77 77 LYS CA C 13 56.571 0.048 . 1 . 629 . . 77 LYS CA . 26627 1 292 . 1 1 77 77 LYS CB C 13 33.082 . . 1 . 635 . . 77 LYS CB . 26627 1 293 . 1 1 77 77 LYS N N 15 120.758 0.043 . 1 . 637 . . 77 LYS N . 26627 1 294 . 1 1 78 78 ASP H H 1 8.264 0.01 . 1 . 627 . . 78 ASP H . 26627 1 295 . 1 1 78 78 ASP CA C 13 54.617 0.047 . 1 . 628 . . 78 ASP CA . 26627 1 296 . 1 1 78 78 ASP CB C 13 41.054 0.016 . 1 . 634 . . 78 ASP CB . 26627 1 297 . 1 1 78 78 ASP N N 15 121.577 0.084 . 1 . 626 . . 78 ASP N . 26627 1 298 . 1 1 79 79 THR H H 1 8.046 0.008 . 1 . 631 . . 79 THR H . 26627 1 299 . 1 1 79 79 THR CA C 13 62.261 0.091 . 1 . 632 . . 79 THR CA . 26627 1 300 . 1 1 79 79 THR CB C 13 69.842 0.033 . 1 . 633 . . 79 THR CB . 26627 1 301 . 1 1 79 79 THR N N 15 114.358 0.072 . 1 . 630 . . 79 THR N . 26627 1 302 . 1 1 80 80 ASP H H 1 8.413 0.004 . 1 . 641 . . 80 ASP H . 26627 1 303 . 1 1 80 80 ASP CA C 13 54.517 0.06 . 1 . 642 . . 80 ASP CA . 26627 1 304 . 1 1 80 80 ASP CB C 13 41.367 0.023 . 1 . 816 . . 80 ASP CB . 26627 1 305 . 1 1 80 80 ASP N N 15 123.150 0.054 . 1 . 640 . . 80 ASP N . 26627 1 306 . 1 1 81 81 SER H H 1 8.415 0.005 . 1 . 643 . . 81 SER H . 26627 1 307 . 1 1 81 81 SER CA C 13 59.348 0.087 . 1 . 749 . . 81 SER CA . 26627 1 308 . 1 1 81 81 SER CB C 13 63.821 0.046 . 1 . 815 . . 81 SER CB . 26627 1 309 . 1 1 81 81 SER N N 15 117.226 0.045 . 1 . 644 . . 81 SER N . 26627 1 310 . 1 1 82 82 GLU H H 1 8.524 0.01 . 1 . 645 . . 82 GLU H . 26627 1 311 . 1 1 82 82 GLU CA C 13 58.983 0.029 . 1 . 750 . . 82 GLU CA . 26627 1 312 . 1 1 82 82 GLU CB C 13 29.459 . . 1 . 905 . . 82 GLU CB . 26627 1 313 . 1 1 82 82 GLU N N 15 122.631 0.055 . 1 . 646 . . 82 GLU N . 26627 1 314 . 1 1 83 83 GLU H H 1 8.305 0.007 . 1 . 647 . . 83 GLU H . 26627 1 315 . 1 1 83 83 GLU CA C 13 59.500 0.032 . 1 . 751 . . 83 GLU CA . 26627 1 316 . 1 1 83 83 GLU CB C 13 29.424 0.012 . 1 . 904 . . 83 GLU CB . 26627 1 317 . 1 1 83 83 GLU N N 15 119.465 0.035 . 1 . 648 . . 83 GLU N . 26627 1 318 . 1 1 84 84 GLU H H 1 8.096 0.005 . 1 . 649 . . 84 GLU H . 26627 1 319 . 1 1 84 84 GLU CA C 13 59.372 0.079 . 1 . 753 . . 84 GLU CA . 26627 1 320 . 1 1 84 84 GLU CB C 13 29.295 0.007 . 1 . 817 . . 84 GLU CB . 26627 1 321 . 1 1 84 84 GLU N N 15 118.652 0.067 . 1 . 650 . . 84 GLU N . 26627 1 322 . 1 1 85 85 ILE H H 1 7.974 0.01 . 1 . 651 . . 85 ILE H . 26627 1 323 . 1 1 85 85 ILE CA C 13 64.955 0.028 . 1 . 752 . . 85 ILE CA . 26627 1 324 . 1 1 85 85 ILE CB C 13 37.306 0.026 . 1 . 824 . . 85 ILE CB . 26627 1 325 . 1 1 85 85 ILE N N 15 121.622 0.137 . 1 . 652 . . 85 ILE N . 26627 1 326 . 1 1 86 86 ARG H H 1 8.405 0.002 . 1 . 653 . . 86 ARG H . 26627 1 327 . 1 1 86 86 ARG CA C 13 60.091 0.029 . 1 . 754 . . 86 ARG CA . 26627 1 328 . 1 1 86 86 ARG CB C 13 29.727 0.035 . 1 . 906 . . 86 ARG CB . 26627 1 329 . 1 1 86 86 ARG N N 15 121.752 0.063 . 1 . 654 . . 86 ARG N . 26627 1 330 . 1 1 87 87 GLU H H 1 8.122 0.003 . 1 . 655 . . 87 GLU H . 26627 1 331 . 1 1 87 87 GLU CA C 13 59.047 0.034 . 1 . 755 . . 87 GLU CA . 26627 1 332 . 1 1 87 87 GLU CB C 13 29.266 . . 1 . 829 . . 87 GLU CB . 26627 1 333 . 1 1 87 87 GLU N N 15 118.658 0.042 . 1 . 656 . . 87 GLU N . 26627 1 334 . 1 1 88 88 ALA H H 1 7.938 0.005 . 1 . 657 . . 88 ALA H . 26627 1 335 . 1 1 88 88 ALA CA C 13 55.108 0.052 . 1 . 756 . . 88 ALA CA . 26627 1 336 . 1 1 88 88 ALA CB C 13 17.778 0.05 . 1 . 828 . . 88 ALA CB . 26627 1 337 . 1 1 88 88 ALA N N 15 121.676 0.016 . 1 . 658 . . 88 ALA N . 26627 1 338 . 1 1 89 89 PHE H H 1 8.487 0.004 . 1 . 659 . . 89 PHE H . 26627 1 339 . 1 1 89 89 PHE CA C 13 62.378 0.047 . 1 . 757 . . 89 PHE CA . 26627 1 340 . 1 1 89 89 PHE CB C 13 39.055 0.017 . 1 . 830 . . 89 PHE CB . 26627 1 341 . 1 1 89 89 PHE N N 15 118.367 0.062 . 1 . 660 . . 89 PHE N . 26627 1 342 . 1 1 90 90 ARG H H 1 7.720 0.006 . 1 . 661 . . 90 ARG H . 26627 1 343 . 1 1 90 90 ARG CA C 13 58.794 0.007 . 1 . 758 . . 90 ARG CA . 26627 1 344 . 1 1 90 90 ARG CB C 13 30.235 0.028 . 1 . 831 . . 90 ARG CB . 26627 1 345 . 1 1 90 90 ARG N N 15 115.439 0.034 . 1 . 662 . . 90 ARG N . 26627 1 346 . 1 1 91 91 VAL H H 1 7.456 0.005 . 1 . 663 . . 91 VAL H . 26627 1 347 . 1 1 91 91 VAL CA C 13 65.656 0.023 . 1 . 759 . . 91 VAL CA . 26627 1 348 . 1 1 91 91 VAL CB C 13 31.253 . . 1 . 832 . . 91 VAL CB . 26627 1 349 . 1 1 91 91 VAL N N 15 118.249 0.044 . 1 . 664 . . 91 VAL N . 26627 1 350 . 1 1 92 92 PHE H H 1 7.342 0.01 . 1 . 665 . . 92 PHE H . 26627 1 351 . 1 1 92 92 PHE CA C 13 59.708 0.062 . 1 . 760 . . 92 PHE CA . 26627 1 352 . 1 1 92 92 PHE CB C 13 40.333 0.035 . 1 . 833 . . 92 PHE CB . 26627 1 353 . 1 1 92 92 PHE N N 15 116.281 0.093 . 1 . 666 . . 92 PHE N . 26627 1 354 . 1 1 93 93 ASP H H 1 7.894 0.009 . 1 . 667 . . 93 ASP H . 26627 1 355 . 1 1 93 93 ASP CA C 13 52.128 0.063 . 1 . 761 . . 93 ASP CA . 26627 1 356 . 1 1 93 93 ASP CB C 13 38.344 0.019 . 1 . 834 . . 93 ASP CB . 26627 1 357 . 1 1 93 93 ASP N N 15 116.687 0.05 . 1 . 668 . . 93 ASP N . 26627 1 358 . 1 1 94 94 LYS H H 1 7.664 0.007 . 1 . 669 . . 94 LYS H . 26627 1 359 . 1 1 94 94 LYS CA C 13 59.050 0.05 . 1 . 762 . . 94 LYS CA . 26627 1 360 . 1 1 94 94 LYS CB C 13 32.680 0.036 . 1 . 835 . . 94 LYS CB . 26627 1 361 . 1 1 94 94 LYS N N 15 125.951 0.075 . 1 . 670 . . 94 LYS N . 26627 1 362 . 1 1 95 95 ASP H H 1 8.221 0.005 . 1 . 671 . . 95 ASP H . 26627 1 363 . 1 1 95 95 ASP CA C 13 53.069 0.057 . 1 . 763 . . 95 ASP CA . 26627 1 364 . 1 1 95 95 ASP CB C 13 39.580 0.023 . 1 . 836 . . 95 ASP CB . 26627 1 365 . 1 1 95 95 ASP N N 15 114.155 0.035 . 1 . 672 . . 95 ASP N . 26627 1 366 . 1 1 96 96 GLY H H 1 7.793 0.003 . 1 . 673 . . 96 GLY H . 26627 1 367 . 1 1 96 96 GLY CA C 13 47.116 0.077 . 1 . 764 . . 96 GLY CA . 26627 1 368 . 1 1 96 96 GLY N N 15 109.363 0.073 . 1 . 674 . . 96 GLY N . 26627 1 369 . 1 1 97 97 ASN H H 1 8.348 0.005 . 1 . 675 . . 97 ASN H . 26627 1 370 . 1 1 97 97 ASN HD21 H 1 8.033 0.001 . 1 . 608 . . 97 ASN HD21 . 26627 1 371 . 1 1 97 97 ASN HD22 H 1 7.355 0.001 . 1 . 609 . . 97 ASN HD22 . 26627 1 372 . 1 1 97 97 ASN CA C 13 52.685 0.036 . 1 . 765 . . 97 ASN CA . 26627 1 373 . 1 1 97 97 ASN CB C 13 38.155 0.03 . 1 . 837 . . 97 ASN CB . 26627 1 374 . 1 1 97 97 ASN N N 15 119.723 0.434 . 1 . 676 . . 97 ASN N . 26627 1 375 . 1 1 97 97 ASN ND2 N 15 116.521 0.017 . 1 . 607 . . 97 ASN ND2 . 26627 1 376 . 1 1 98 98 GLY H H 1 10.637 0.004 . 1 . 677 . . 98 GLY H . 26627 1 377 . 1 1 98 98 GLY CA C 13 45.046 0.058 . 1 . 766 . . 98 GLY CA . 26627 1 378 . 1 1 98 98 GLY N N 15 112.883 0.04 . 1 . 678 . . 98 GLY N . 26627 1 379 . 1 1 99 99 TYR H H 1 7.628 0.004 . 1 . 679 . . 99 TYR H . 26627 1 380 . 1 1 99 99 TYR CA C 13 56.121 0.034 . 1 . 767 . . 99 TYR CA . 26627 1 381 . 1 1 99 99 TYR CB C 13 43.062 0.005 . 1 . 838 . . 99 TYR CB . 26627 1 382 . 1 1 99 99 TYR N N 15 116.035 0.031 . 1 . 680 . . 99 TYR N . 26627 1 383 . 1 1 100 100 ILE H H 1 10.161 0.003 . 1 . 681 . . 100 ILE H . 26627 1 384 . 1 1 100 100 ILE CA C 13 61.029 0.053 . 1 . 768 . . 100 ILE CA . 26627 1 385 . 1 1 100 100 ILE CB C 13 39.008 . . 1 . 839 . . 100 ILE CB . 26627 1 386 . 1 1 100 100 ILE N N 15 127.299 0.045 . 1 . 682 . . 100 ILE N . 26627 1 387 . 1 1 101 101 SER H H 1 8.919 0.003 . 1 . 683 . . 101 SER H . 26627 1 388 . 1 1 101 101 SER CA C 13 55.771 0.104 . 1 . 769 . . 101 SER CA . 26627 1 389 . 1 1 101 101 SER CB C 13 66.801 0.048 . 1 . 818 . . 101 SER CB . 26627 1 390 . 1 1 101 101 SER N N 15 123.692 0.057 . 1 . 684 . . 101 SER N . 26627 1 391 . 1 1 102 102 ALA H H 1 9.212 0.006 . 1 . 685 . . 102 ALA H . 26627 1 392 . 1 1 102 102 ALA CA C 13 55.897 0.04 . 1 . 773 . . 102 ALA CA . 26627 1 393 . 1 1 102 102 ALA CB C 13 18.024 0.003 . 1 . 840 . . 102 ALA CB . 26627 1 394 . 1 1 102 102 ALA N N 15 123.006 0.057 . 1 . 686 . . 102 ALA N . 26627 1 395 . 1 1 103 103 ALA H H 1 8.234 0.004 . 1 . 691 . . 103 ALA H . 26627 1 396 . 1 1 103 103 ALA CA C 13 55.203 0.041 . 1 . 774 . . 103 ALA CA . 26627 1 397 . 1 1 103 103 ALA CB C 13 18.373 . . 1 . 841 . . 103 ALA CB . 26627 1 398 . 1 1 103 103 ALA N N 15 118.467 0.044 . 1 . 692 . . 103 ALA N . 26627 1 399 . 1 1 104 104 GLU H H 1 7.861 0.006 . 1 . 693 . . 104 GLU H . 26627 1 400 . 1 1 104 104 GLU CA C 13 59.480 0.11 . 1 . 770 . . 104 GLU CA . 26627 1 401 . 1 1 104 104 GLU CB C 13 28.999 0.05 . 1 . 843 . . 104 GLU CB . 26627 1 402 . 1 1 104 104 GLU N N 15 120.139 0.076 . 1 . 694 . . 104 GLU N . 26627 1 403 . 1 1 105 105 LEU H H 1 8.499 0.05 . 1 . 687 . . 105 LEU H . 26627 1 404 . 1 1 105 105 LEU CA C 13 58.308 0.075 . 1 . 771 . . 105 LEU CA . 26627 1 405 . 1 1 105 105 LEU CB C 13 41.923 0.024 . 1 . 842 . . 105 LEU CB . 26627 1 406 . 1 1 105 105 LEU N N 15 121.187 0.298 . 1 . 688 . . 105 LEU N . 26627 1 407 . 1 1 106 106 ARG H H 1 8.661 0.003 . 1 . 689 . . 106 ARG H . 26627 1 408 . 1 1 106 106 ARG CA C 13 59.978 0.018 . 1 . 772 . . 106 ARG CA . 26627 1 409 . 1 1 106 106 ARG N N 15 118.086 0.089 . 1 . 690 . . 106 ARG N . 26627 1 410 . 1 1 107 107 HIS H H 1 7.963 0.004 . 1 . 695 . . 107 HIS H . 26627 1 411 . 1 1 107 107 HIS HB2 H 1 3.237 0.004 . 2 . 869 . . 107 HIS HB2 . 26627 1 412 . 1 1 107 107 HIS HB3 H 1 3.322 0.005 . 2 . 870 . . 107 HIS HB3 . 26627 1 413 . 1 1 107 107 HIS CA C 13 59.851 0.022 . 1 . 775 . . 107 HIS CA . 26627 1 414 . 1 1 107 107 HIS CB C 13 29.263 . . 1 . 819 . . 107 HIS CB . 26627 1 415 . 1 1 107 107 HIS N N 15 119.504 0.114 . 1 . 696 . . 107 HIS N . 26627 1 416 . 1 1 108 108 VAL H H 1 7.961 0.003 . 1 . 697 . . 108 VAL H . 26627 1 417 . 1 1 108 108 VAL HA H 1 3.509 0.001 . 1 . 868 . . 108 VAL HA . 26627 1 418 . 1 1 108 108 VAL CA C 13 66.516 0.011 . 1 . 776 . . 108 VAL CA . 26627 1 419 . 1 1 108 108 VAL CB C 13 33.265 . . 1 . 844 . . 108 VAL CB . 26627 1 420 . 1 1 108 108 VAL N N 15 119.172 0.033 . 1 . 698 . . 108 VAL N . 26627 1 421 . 1 1 109 109 MET H H 1 8.225 0.004 . 1 . 848 . . 109 MET H . 26627 1 422 . 1 1 109 109 MET CA C 13 57.702 0.023 . 1 . 779 . . 109 MET CA . 26627 1 423 . 1 1 109 109 MET N N 15 116.180 0.049 . 1 . 847 . . 109 MET N . 26627 1 424 . 1 1 110 110 THR H H 1 8.276 0.006 . 1 . 701 . . 110 THR H . 26627 1 425 . 1 1 110 110 THR CA C 13 66.355 0.005 . 1 . 777 . . 110 THR CA . 26627 1 426 . 1 1 110 110 THR CB C 13 68.742 0.061 . 1 . 845 . . 110 THR CB . 26627 1 427 . 1 1 110 110 THR N N 15 115.852 0.046 . 1 . 702 . . 110 THR N . 26627 1 428 . 1 1 111 111 ASN H H 1 7.844 0.005 . 1 . 699 . . 111 ASN H . 26627 1 429 . 1 1 111 111 ASN CA C 13 55.866 0.037 . 1 . 778 . . 111 ASN CA . 26627 1 430 . 1 1 111 111 ASN CB C 13 38.230 0.022 . 1 . 846 . . 111 ASN CB . 26627 1 431 . 1 1 111 111 ASN N N 15 122.503 0.081 . 1 . 700 . . 111 ASN N . 26627 1 432 . 1 1 112 112 LEU H H 1 7.726 0.005 . 1 . 711 . . 112 LEU H . 26627 1 433 . 1 1 112 112 LEU CA C 13 55.142 0.057 . 1 . 785 . . 112 LEU CA . 26627 1 434 . 1 1 112 112 LEU CB C 13 42.126 0.027 . 1 . 849 . . 112 LEU CB . 26627 1 435 . 1 1 112 112 LEU N N 15 118.643 0.05 . 1 . 712 . . 112 LEU N . 26627 1 436 . 1 1 113 113 GLY H H 1 7.790 0.005 . 1 . 713 . . 113 GLY H . 26627 1 437 . 1 1 113 113 GLY CA C 13 45.447 0.061 . 1 . 786 . . 113 GLY CA . 26627 1 438 . 1 1 113 113 GLY N N 15 106.908 0.067 . 1 . 714 . . 113 GLY N . 26627 1 439 . 1 1 114 114 GLU H H 1 7.871 0.005 . 1 . 715 . . 114 GLU H . 26627 1 440 . 1 1 114 114 GLU CA C 13 54.862 0.024 . 1 . 784 . . 114 GLU CA . 26627 1 441 . 1 1 114 114 GLU CB C 13 30.567 0.055 . 1 . 850 . . 114 GLU CB . 26627 1 442 . 1 1 114 114 GLU N N 15 119.934 0.206 . 1 . 716 . . 114 GLU N . 26627 1 443 . 1 1 115 115 LYS H H 1 8.561 0.007 . 1 . 709 . . 115 LYS H . 26627 1 444 . 1 1 115 115 LYS CA C 13 55.533 0.054 . 1 . 783 . . 115 LYS CA . 26627 1 445 . 1 1 115 115 LYS CB C 13 32.015 0.044 . 1 . 820 . . 115 LYS CB . 26627 1 446 . 1 1 115 115 LYS N N 15 124.285 0.091 . 1 . 710 . . 115 LYS N . 26627 1 447 . 1 1 116 116 LEU H H 1 8.009 0.004 . 1 . 707 . . 116 LEU H . 26627 1 448 . 1 1 116 116 LEU CA C 13 54.012 0.019 . 1 . 780 . . 116 LEU CA . 26627 1 449 . 1 1 116 116 LEU CB C 13 44.634 0.002 . 1 . 851 . . 116 LEU CB . 26627 1 450 . 1 1 116 116 LEU N N 15 124.807 0.039 . 1 . 708 . . 116 LEU N . 26627 1 451 . 1 1 117 117 THR H H 1 9.140 0.011 . 1 . 703 . . 117 THR H . 26627 1 452 . 1 1 117 117 THR CA C 13 60.655 0.005 . 1 . 781 . . 117 THR CA . 26627 1 453 . 1 1 117 117 THR CB C 13 71.139 0.019 . 1 . 852 . . 117 THR CB . 26627 1 454 . 1 1 117 117 THR N N 15 114.467 0.056 . 1 . 704 . . 117 THR N . 26627 1 455 . 1 1 118 118 ASP H H 1 8.863 0.007 . 1 . 705 . . 118 ASP H . 26627 1 456 . 1 1 118 118 ASP CA C 13 57.938 0.026 . 1 . 782 . . 118 ASP CA . 26627 1 457 . 1 1 118 118 ASP CB C 13 39.683 0.015 . 1 . 366 . . 118 ASP CB . 26627 1 458 . 1 1 118 118 ASP N N 15 121.106 0.049 . 1 . 706 . . 118 ASP N . 26627 1 459 . 1 1 119 119 GLU H H 1 8.635 0.003 . 1 . 364 . . 119 GLU H . 26627 1 460 . 1 1 119 119 GLU CA C 13 59.879 0.021 . 1 . 370 . . 119 GLU CA . 26627 1 461 . 1 1 119 119 GLU CB C 13 29.061 0.046 . 1 . 369 . . 119 GLU CB . 26627 1 462 . 1 1 119 119 GLU N N 15 119.058 0.047 . 1 . 365 . . 119 GLU N . 26627 1 463 . 1 1 120 120 GLU H H 1 7.707 0.004 . 1 . 367 . . 120 GLU H . 26627 1 464 . 1 1 120 120 GLU CA C 13 59.386 0.025 . 1 . 787 . . 120 GLU CA . 26627 1 465 . 1 1 120 120 GLU CB C 13 30.484 0.053 . 1 . 821 . . 120 GLU CB . 26627 1 466 . 1 1 120 120 GLU N N 15 120.557 0.056 . 1 . 368 . . 120 GLU N . 26627 1 467 . 1 1 121 121 VAL H H 1 7.958 0.008 . 1 . 717 . . 121 VAL H . 26627 1 468 . 1 1 121 121 VAL CA C 13 66.876 0.038 . 1 . 788 . . 121 VAL CA . 26627 1 469 . 1 1 121 121 VAL CB C 13 31.293 0.072 . 1 . 822 . . 121 VAL CB . 26627 1 470 . 1 1 121 121 VAL N N 15 120.420 0.068 . 1 . 718 . . 121 VAL N . 26627 1 471 . 1 1 122 122 ASP H H 1 8.001 0.005 . 1 . 719 . . 122 ASP H . 26627 1 472 . 1 1 122 122 ASP CA C 13 57.640 0.021 . 1 . 789 . . 122 ASP CA . 26627 1 473 . 1 1 122 122 ASP CB C 13 40.479 0.002 . 1 . 865 . . 122 ASP CB . 26627 1 474 . 1 1 122 122 ASP N N 15 119.494 0.058 . 1 . 720 . . 122 ASP N . 26627 1 475 . 1 1 123 123 GLU H H 1 7.982 0.004 . 1 . 863 . . 123 GLU H . 26627 1 476 . 1 1 123 123 GLU CA C 13 59.163 0.032 . 1 . 861 . . 123 GLU CA . 26627 1 477 . 1 1 123 123 GLU CB C 13 29.385 0.052 . 1 . 866 . . 123 GLU CB . 26627 1 478 . 1 1 123 123 GLU N N 15 119.429 0.113 . 1 . 862 . . 123 GLU N . 26627 1 479 . 1 1 124 124 MET H H 1 7.816 0.005 . 1 . 860 . . 124 MET H . 26627 1 480 . 1 1 124 124 MET CA C 13 60.001 0.006 . 1 . 858 . . 124 MET CA . 26627 1 481 . 1 1 124 124 MET CB C 13 33.265 . . 1 . 864 . . 124 MET CB . 26627 1 482 . 1 1 124 124 MET N N 15 119.465 0.003 . 1 . 859 . . 124 MET N . 26627 1 483 . 1 1 125 125 ILE H H 1 7.888 0.008 . 1 . 854 . . 125 ILE H . 26627 1 484 . 1 1 125 125 ILE CA C 13 63.454 0.042 . 1 . 855 . . 125 ILE CA . 26627 1 485 . 1 1 125 125 ILE CB C 13 36.087 0.032 . 1 . 867 . . 125 ILE CB . 26627 1 486 . 1 1 125 125 ILE N N 15 118.458 0.055 . 1 . 853 . . 125 ILE N . 26627 1 487 . 1 1 126 126 ARG H H 1 8.313 0.003 . 1 . 857 . . 126 ARG H . 26627 1 488 . 1 1 126 126 ARG CA C 13 59.759 0.019 . 1 . 790 . . 126 ARG CA . 26627 1 489 . 1 1 126 126 ARG CB C 13 30.099 . . 1 . 871 . . 126 ARG CB . 26627 1 490 . 1 1 126 126 ARG N N 15 118.392 0.047 . 1 . 856 . . 126 ARG N . 26627 1 491 . 1 1 127 127 GLU H H 1 7.947 0.01 . 1 . 721 . . 127 GLU H . 26627 1 492 . 1 1 127 127 GLU CA C 13 58.465 0.013 . 1 . 791 . . 127 GLU CA . 26627 1 493 . 1 1 127 127 GLU CB C 13 29.508 0.045 . 1 . 872 . . 127 GLU CB . 26627 1 494 . 1 1 127 127 GLU N N 15 116.161 0.087 . 1 . 722 . . 127 GLU N . 26627 1 495 . 1 1 128 128 ALA H H 1 7.261 0.006 . 1 . 723 . . 128 ALA H . 26627 1 496 . 1 1 128 128 ALA CA C 13 51.804 0.052 . 1 . 792 . . 128 ALA CA . 26627 1 497 . 1 1 128 128 ALA CB C 13 21.428 0.057 . 1 . 873 . . 128 ALA CB . 26627 1 498 . 1 1 128 128 ALA N N 15 118.475 0.05 . 1 . 724 . . 128 ALA N . 26627 1 499 . 1 1 129 129 ASP H H 1 7.910 0.004 . 1 . 725 . . 129 ASP H . 26627 1 500 . 1 1 129 129 ASP CA C 13 54.174 0.012 . 1 . 793 . . 129 ASP CA . 26627 1 501 . 1 1 129 129 ASP CB C 13 40.512 0.037 . 1 . 874 . . 129 ASP CB . 26627 1 502 . 1 1 129 129 ASP N N 15 117.939 0.081 . 1 . 726 . . 129 ASP N . 26627 1 503 . 1 1 130 130 ILE H H 1 8.276 0.01 . 1 . 727 . . 130 ILE H . 26627 1 504 . 1 1 130 130 ILE CA C 13 63.452 0.016 . 1 . 794 . . 130 ILE CA . 26627 1 505 . 1 1 130 130 ILE CB C 13 38.611 0.034 . 1 . 875 . . 130 ILE CB . 26627 1 506 . 1 1 130 130 ILE N N 15 127.799 0.065 . 1 . 728 . . 130 ILE N . 26627 1 507 . 1 1 131 131 ASP H H 1 8.340 0.004 . 1 . 877 . . 131 ASP H . 26627 1 508 . 1 1 131 131 ASP CA C 13 53.863 0.079 . 1 . 796 . . 131 ASP CA . 26627 1 509 . 1 1 131 131 ASP CB C 13 39.924 0.002 . 1 . 823 . . 131 ASP CB . 26627 1 510 . 1 1 131 131 ASP N N 15 116.688 0.027 . 1 . 876 . . 131 ASP N . 26627 1 511 . 1 1 132 132 GLY H H 1 7.604 0.005 . 1 . 729 . . 132 GLY H . 26627 1 512 . 1 1 132 132 GLY CA C 13 47.468 0.105 . 1 . 795 . . 132 GLY CA . 26627 1 513 . 1 1 132 132 GLY N N 15 108.676 0.049 . 1 . 730 . . 132 GLY N . 26627 1 514 . 1 1 133 133 ASP H H 1 8.352 0.004 . 1 . 731 . . 133 ASP H . 26627 1 515 . 1 1 133 133 ASP CA C 13 53.641 0.064 . 1 . 797 . . 133 ASP CA . 26627 1 516 . 1 1 133 133 ASP CB C 13 40.150 0.027 . 1 . 878 . . 133 ASP CB . 26627 1 517 . 1 1 133 133 ASP N N 15 120.917 0.056 . 1 . 732 . . 133 ASP N . 26627 1 518 . 1 1 134 134 GLY H H 1 10.309 0.003 . 1 . 733 . . 134 GLY H . 26627 1 519 . 1 1 134 134 GLY CA C 13 45.836 0.021 . 1 . 798 . . 134 GLY CA . 26627 1 520 . 1 1 134 134 GLY N N 15 112.837 0.045 . 1 . 734 . . 134 GLY N . 26627 1 521 . 1 1 135 135 GLN H H 1 7.951 0.004 . 1 . 735 . . 135 GLN H . 26627 1 522 . 1 1 135 135 GLN CA C 13 53.225 0.059 . 1 . 799 . . 135 GLN CA . 26627 1 523 . 1 1 135 135 GLN CB C 13 32.309 0.037 . 1 . 879 . . 135 GLN CB . 26627 1 524 . 1 1 135 135 GLN N N 15 115.198 0.046 . 1 . 736 . . 135 GLN N . 26627 1 525 . 1 1 136 136 VAL H H 1 9.119 0.004 . 1 . 800 . . 136 VAL H . 26627 1 526 . 1 1 136 136 VAL CA C 13 61.781 0.013 . 1 . 801 . . 136 VAL CA . 26627 1 527 . 1 1 136 136 VAL CB C 13 33.802 0.018 . 1 . 880 . . 136 VAL CB . 26627 1 528 . 1 1 136 136 VAL N N 15 125.578 0.071 . 1 . 802 . . 136 VAL N . 26627 1 529 . 1 1 137 137 ASN H H 1 9.569 0.007 . 1 . 737 . . 137 ASN H . 26627 1 530 . 1 1 137 137 ASN CA C 13 51.090 0.015 . 1 . 803 . . 137 ASN CA . 26627 1 531 . 1 1 137 137 ASN CB C 13 38.359 0.023 . 1 . 881 . . 137 ASN CB . 26627 1 532 . 1 1 137 137 ASN N N 15 129.181 0.048 . 1 . 738 . . 137 ASN N . 26627 1 533 . 1 1 138 138 TYR H H 1 8.384 0.003 . 1 . 739 . . 138 TYR H . 26627 1 534 . 1 1 138 138 TYR CA C 13 62.615 0.035 . 1 . 804 . . 138 TYR CA . 26627 1 535 . 1 1 138 138 TYR CB C 13 37.613 0.04 . 1 . 882 . . 138 TYR CB . 26627 1 536 . 1 1 138 138 TYR N N 15 118.582 0.069 . 1 . 740 . . 138 TYR N . 26627 1 537 . 1 1 139 139 GLU H H 1 8.071 0.006 . 1 . 741 . . 139 GLU H . 26627 1 538 . 1 1 139 139 GLU CA C 13 60.307 0.014 . 1 . 805 . . 139 GLU CA . 26627 1 539 . 1 1 139 139 GLU CB C 13 28.957 . . 1 . 887 . . 139 GLU CB . 26627 1 540 . 1 1 139 139 GLU N N 15 118.516 0.051 . 1 . 742 . . 139 GLU N . 26627 1 541 . 1 1 140 140 GLU H H 1 8.733 0.005 . 1 . 743 . . 140 GLU H . 26627 1 542 . 1 1 140 140 GLU CA C 13 58.595 0.041 . 1 . 806 . . 140 GLU CA . 26627 1 543 . 1 1 140 140 GLU CB C 13 29.663 . . 1 . 886 . . 140 GLU CB . 26627 1 544 . 1 1 140 140 GLU N N 15 119.904 0.035 . 1 . 744 . . 140 GLU N . 26627 1 545 . 1 1 141 141 PHE H H 1 8.749 0.008 . 1 . 884 . . 141 PHE H . 26627 1 546 . 1 1 141 141 PHE CA C 13 61.763 0.033 . 1 . 885 . . 141 PHE CA . 26627 1 547 . 1 1 141 141 PHE CB C 13 39.922 0.029 . 1 . 894 . . 141 PHE CB . 26627 1 548 . 1 1 141 141 PHE N N 15 124.209 0.065 . 1 . 883 . . 141 PHE N . 26627 1 549 . 1 1 142 142 VAL H H 1 8.642 0.006 . 1 . 889 . . 142 VAL H . 26627 1 550 . 1 1 142 142 VAL CA C 13 67.107 0.031 . 1 . 890 . . 142 VAL CA . 26627 1 551 . 1 1 142 142 VAL CB C 13 31.407 0.062 . 1 . 895 . . 142 VAL CB . 26627 1 552 . 1 1 142 142 VAL N N 15 119.419 0.065 . 1 . 888 . . 142 VAL N . 26627 1 553 . 1 1 143 143 GLN H H 1 7.531 0.006 . 1 . 892 . . 143 GLN H . 26627 1 554 . 1 1 143 143 GLN CA C 13 58.938 0.024 . 1 . 893 . . 143 GLN CA . 26627 1 555 . 1 1 143 143 GLN N N 15 118.681 0.052 . 1 . 891 . . 143 GLN N . 26627 1 556 . 1 1 144 144 MET H H 1 7.567 0.006 . 1 . 897 . . 144 MET H . 26627 1 557 . 1 1 144 144 MET CA C 13 57.689 . . 1 . 898 . . 144 MET CA . 26627 1 558 . 1 1 144 144 MET CB C 13 32.144 . . 1 . 900 . . 144 MET CB . 26627 1 559 . 1 1 144 144 MET N N 15 118.282 0.096 . 1 . 896 . . 144 MET N . 26627 1 560 . 1 1 145 145 MET H H 1 7.773 0.006 . 1 . 747 . . 145 MET H . 26627 1 561 . 1 1 145 145 MET CA C 13 55.532 0.046 . 1 . 814 . . 145 MET CA . 26627 1 562 . 1 1 145 145 MET CB C 13 33.785 0.06 . 1 . 901 . . 145 MET CB . 26627 1 563 . 1 1 145 145 MET N N 15 114.964 0.06 . 1 . 748 . . 145 MET N . 26627 1 564 . 1 1 146 146 THR H H 1 7.538 0.007 . 1 . 745 . . 146 THR H . 26627 1 565 . 1 1 146 146 THR CA C 13 62.037 0.002 . 1 . 813 . . 146 THR CA . 26627 1 566 . 1 1 146 146 THR CB C 13 70.312 0.078 . 1 . 899 . . 146 THR CB . 26627 1 567 . 1 1 146 146 THR N N 15 110.140 0.096 . 1 . 746 . . 146 THR N . 26627 1 568 . 1 1 147 147 ALA H H 1 7.657 0.009 . 1 . 811 . . 147 ALA H . 26627 1 569 . 1 1 147 147 ALA CA C 13 52.945 0.067 . 1 . 808 . . 147 ALA CA . 26627 1 570 . 1 1 147 147 ALA CB C 13 19.075 0.013 . 1 . 903 . . 147 ALA CB . 26627 1 571 . 1 1 147 147 ALA N N 15 126.967 0.054 . 1 . 812 . . 147 ALA N . 26627 1 572 . 1 1 148 148 LYS H H 1 7.821 0.008 . 1 . 807 . . 148 LYS H . 26627 1 573 . 1 1 148 148 LYS CA C 13 57.456 . . 1 . 810 . . 148 LYS CA . 26627 1 574 . 1 1 148 148 LYS CB C 13 33.722 . . 1 . 902 . . 148 LYS CB . 26627 1 575 . 1 1 148 148 LYS N N 15 125.820 0.036 . 1 . 809 . . 148 LYS N . 26627 1 576 . 2 2 2 2 VAL HA H 1 4.141 . . 1 . 142 . . 251 VAL HA . 26627 1 577 . 2 2 2 2 VAL C C 13 176.269 . . 1 . 139 . . 251 VAL C . 26627 1 578 . 2 2 2 2 VAL CA C 13 63.193 0.009 . 1 . 137 . . 251 VAL CA . 26627 1 579 . 2 2 2 2 VAL CB C 13 32.562 . . 1 . 138 . . 251 VAL CB . 26627 1 580 . 2 2 3 3 GLN H H 1 8.425 0.003 . 1 . 61 . . 252 GLN H . 26627 1 581 . 2 2 3 3 GLN HA H 1 4.286 0.002 . 1 . 141 . . 252 GLN HA . 26627 1 582 . 2 2 3 3 GLN C C 13 175.990 . . 1 . 115 . . 252 GLN C . 26627 1 583 . 2 2 3 3 GLN CA C 13 56.559 0.024 . 1 . 96 . . 252 GLN CA . 26627 1 584 . 2 2 3 3 GLN CB C 13 29.262 0.044 . 1 . 114 . . 252 GLN CB . 26627 1 585 . 2 2 3 3 GLN N N 15 122.609 0.059 . 1 . 62 . . 252 GLN N . 26627 1 586 . 2 2 4 4 ASP H H 1 8.192 0.005 . 1 . 13 . . 253 ASP H . 26627 1 587 . 2 2 4 4 ASP HA H 1 4.621 . . 1 . 143 . . 253 ASP HA . 26627 1 588 . 2 2 4 4 ASP HB2 H 1 2.712 0.002 . 1 . 145 . . 253 ASP HB2 . 26627 1 589 . 2 2 4 4 ASP HB3 H 1 2.712 0.002 . 1 . 146 . . 253 ASP HB3 . 26627 1 590 . 2 2 4 4 ASP C C 13 176.980 . . 1 . 113 . . 253 ASP C . 26627 1 591 . 2 2 4 4 ASP CA C 13 54.886 0.027 . 1 . 77 . . 253 ASP CA . 26627 1 592 . 2 2 4 4 ASP CB C 13 41.240 0.025 . 1 . 108 . . 253 ASP CB . 26627 1 593 . 2 2 4 4 ASP N N 15 121.434 0.035 . 1 . 14 . . 253 ASP N . 26627 1 594 . 2 2 5 5 THR H H 1 8.086 0.003 . 1 . 47 . . 254 THR H . 26627 1 595 . 2 2 5 5 THR HA H 1 4.271 . . 1 . 144 . . 254 THR HA . 26627 1 596 . 2 2 5 5 THR HG21 H 1 1.238 . . 1 . 147 . . 254 THR HG21 . 26627 1 597 . 2 2 5 5 THR HG22 H 1 1.238 . . 1 . 147 . . 254 THR HG22 . 26627 1 598 . 2 2 5 5 THR HG23 H 1 1.238 . . 1 . 147 . . 254 THR HG23 . 26627 1 599 . 2 2 5 5 THR C C 13 175.280 . . 1 . 116 . . 254 THR C . 26627 1 600 . 2 2 5 5 THR CA C 13 62.761 0.017 . 1 . 92 . . 254 THR CA . 26627 1 601 . 2 2 5 5 THR CB C 13 69.734 0.029 . 1 . 107 . . 254 THR CB . 26627 1 602 . 2 2 5 5 THR N N 15 114.461 0.047 . 1 . 48 . . 254 THR N . 26627 1 603 . 2 2 6 6 ALA H H 1 8.398 0.003 . 1 . 27 . . 255 ALA H . 26627 1 604 . 2 2 6 6 ALA HA H 1 4.196 0.001 . 1 . 150 . . 255 ALA HA . 26627 1 605 . 2 2 6 6 ALA HB1 H 1 1.439 0.001 . 1 . 149 . . 255 ALA HB1 . 26627 1 606 . 2 2 6 6 ALA HB2 H 1 1.439 0.001 . 1 . 149 . . 255 ALA HB2 . 26627 1 607 . 2 2 6 6 ALA HB3 H 1 1.439 0.001 . 1 . 149 . . 255 ALA HB3 . 26627 1 608 . 2 2 6 6 ALA C C 13 178.796 . . 1 . 148 . . 255 ALA C . 26627 1 609 . 2 2 6 6 ALA CA C 13 54.182 0.029 . 1 . 105 . . 255 ALA CA . 26627 1 610 . 2 2 6 6 ALA CB C 13 18.722 0.033 . 1 . 106 . . 255 ALA CB . 26627 1 611 . 2 2 6 6 ALA N N 15 125.421 0.051 . 1 . 28 . . 255 ALA N . 26627 1 612 . 2 2 7 7 GLU H H 1 8.290 0.003 . 1 . 21 . . 256 GLU H . 26627 1 613 . 2 2 7 7 GLU HA H 1 4.153 0.001 . 1 . 152 . . 256 GLU HA . 26627 1 614 . 2 2 7 7 GLU HB2 H 1 2.043 0.001 . 1 . 156 . . 256 GLU HB2 . 26627 1 615 . 2 2 7 7 GLU HB3 H 1 2.043 0.001 . 1 . 157 . . 256 GLU HB3 . 26627 1 616 . 2 2 7 7 GLU HG2 H 1 2.290 0.01 . 1 . 158 . . 256 GLU HG2 . 26627 1 617 . 2 2 7 7 GLU C C 13 177.863 . . 1 . 151 . . 256 GLU C . 26627 1 618 . 2 2 7 7 GLU CA C 13 58.146 0.033 . 1 . 81 . . 256 GLU CA . 26627 1 619 . 2 2 7 7 GLU CB C 13 29.786 0.006 . 1 . 129 . . 256 GLU CB . 26627 1 620 . 2 2 7 7 GLU N N 15 118.816 0.027 . 1 . 22 . . 256 GLU N . 26627 1 621 . 2 2 8 8 GLN H H 1 8.125 0.004 . 1 . 7 . . 257 GLN H . 26627 1 622 . 2 2 8 8 GLN HA H 1 4.189 0.001 . 1 . 153 . . 257 GLN HA . 26627 1 623 . 2 2 8 8 GLN HB2 H 1 2.124 0.0 . 1 . 159 . . 257 GLN HB2 . 26627 1 624 . 2 2 8 8 GLN HB3 H 1 2.124 0.0 . 1 . 160 . . 257 GLN HB3 . 26627 1 625 . 2 2 8 8 GLN C C 13 177.712 . . 1 . 155 . . 257 GLN C . 26627 1 626 . 2 2 8 8 GLN CA C 13 57.523 0.002 . 1 . 74 . . 257 GLN CA . 26627 1 627 . 2 2 8 8 GLN CB C 13 28.909 . . 1 . 127 . . 257 GLN CB . 26627 1 628 . 2 2 8 8 GLN N N 15 119.985 0.037 . 1 . 8 . . 257 GLN N . 26627 1 629 . 2 2 9 9 LYS H H 1 8.226 0.009 . 1 . 33 . . 258 LYS H . 26627 1 630 . 2 2 9 9 LYS HA H 1 4.169 0.003 . 1 . 154 . . 258 LYS HA . 26627 1 631 . 2 2 9 9 LYS HB2 H 1 1.946 . . 1 . 161 . . 258 LYS HB2 . 26627 1 632 . 2 2 9 9 LYS C C 13 177.786 . . 1 . 164 . . 258 LYS C . 26627 1 633 . 2 2 9 9 LYS CA C 13 58.144 0.011 . 1 . 85 . . 258 LYS CA . 26627 1 634 . 2 2 9 9 LYS N N 15 120.825 0.039 . 1 . 34 . . 258 LYS N . 26627 1 635 . 2 2 10 10 VAL H H 1 8.024 0.006 . 1 . 45 . . 259 VAL H . 26627 1 636 . 2 2 10 10 VAL HA H 1 3.819 0.003 . 1 . 162 . . 259 VAL HA . 26627 1 637 . 2 2 10 10 VAL HB H 1 2.160 0.001 . 1 . 163 . . 259 VAL HB . 26627 1 638 . 2 2 10 10 VAL C C 13 177.444 . . 1 . 169 . . 259 VAL C . 26627 1 639 . 2 2 10 10 VAL CA C 13 64.982 0.049 . 1 . 91 . . 259 VAL CA . 26627 1 640 . 2 2 10 10 VAL CB C 13 32.264 0.068 . 1 . 131 . . 259 VAL CB . 26627 1 641 . 2 2 10 10 VAL N N 15 119.172 0.034 . 1 . 46 . . 259 VAL N . 26627 1 642 . 2 2 11 11 GLN H H 1 8.137 0.006 . 1 . 17 . . 260 GLN H . 26627 1 643 . 2 2 11 11 GLN HA H 1 4.073 0.008 . 1 . 165 . . 260 GLN HA . 26627 1 644 . 2 2 11 11 GLN HB2 H 1 2.142 0.001 . 1 . 166 . . 260 GLN HB2 . 26627 1 645 . 2 2 11 11 GLN HB3 H 1 2.142 0.001 . 1 . 167 . . 260 GLN HB3 . 26627 1 646 . 2 2 11 11 GLN HG2 H 1 2.417 0.004 . 1 . 168 . . 260 GLN HG2 . 26627 1 647 . 2 2 11 11 GLN C C 13 177.523 . . 1 . 170 . . 260 GLN C . 26627 1 648 . 2 2 11 11 GLN CA C 13 57.925 0.011 . 1 . 79 . . 260 GLN CA . 26627 1 649 . 2 2 11 11 GLN N N 15 121.111 0.037 . 1 . 18 . . 260 GLN N . 26627 1 650 . 2 2 12 12 LEU H H 1 7.982 0.005 . 1 . 49 . . 261 LEU H . 26627 1 651 . 2 2 12 12 LEU HA H 1 4.203 0.002 . 1 . 172 . . 261 LEU HA . 26627 1 652 . 2 2 12 12 LEU HB2 H 1 1.649 0.001 . 1 . 173 . . 261 LEU HB2 . 26627 1 653 . 2 2 12 12 LEU C C 13 178.758 . . 1 . 174 . . 261 LEU C . 26627 1 654 . 2 2 12 12 LEU CA C 13 57.466 0.025 . 1 . 69 . . 261 LEU CA . 26627 1 655 . 2 2 12 12 LEU CB C 13 42.187 0.011 . 1 . 132 . . 261 LEU CB . 26627 1 656 . 2 2 12 12 LEU N N 15 120.564 0.077 . 1 . 50 . . 261 LEU N . 26627 1 657 . 2 2 13 13 LEU H H 1 7.879 0.005 . 1 . 25 . . 262 LEU H . 26627 1 658 . 2 2 13 13 LEU HA H 1 4.247 0.003 . 1 . 171 . . 262 LEU HA . 26627 1 659 . 2 2 13 13 LEU C C 13 178.540 . . 1 . 221 . . 262 LEU C . 26627 1 660 . 2 2 13 13 LEU CA C 13 57.171 . . 1 . 68 . . 262 LEU CA . 26627 1 661 . 2 2 13 13 LEU CB C 13 41.848 0.04 . 1 . 133 . . 262 LEU CB . 26627 1 662 . 2 2 13 13 LEU N N 15 118.922 0.078 . 1 . 26 . . 262 LEU N . 26627 1 663 . 2 2 14 14 ARG H H 1 8.100 0.004 . 1 . 51 . . 263 ARG H . 26627 1 664 . 2 2 14 14 ARG HA H 1 4.175 0.004 . 1 . 215 . . 263 ARG HA . 26627 1 665 . 2 2 14 14 ARG C C 13 177.847 . . 1 . 216 . . 263 ARG C . 26627 1 666 . 2 2 14 14 ARG CA C 13 58.655 0.002 . 1 . 93 . . 263 ARG CA . 26627 1 667 . 2 2 14 14 ARG N N 15 118.714 0.067 . 1 . 52 . . 263 ARG N . 26627 1 668 . 2 2 15 15 ASN H H 1 8.249 0.008 . 1 . 19 . . 264 ASN H . 26627 1 669 . 2 2 15 15 ASN HA H 1 4.623 0.0 . 1 . 214 . . 264 ASN HA . 26627 1 670 . 2 2 15 15 ASN HB2 H 1 2.815 . . 2 . 217 . . 264 ASN HB2 . 26627 1 671 . 2 2 15 15 ASN HB3 H 1 2.887 . . 2 . 218 . . 264 ASN HB3 . 26627 1 672 . 2 2 15 15 ASN C C 13 176.517 . . 1 . 222 . . 264 ASN C . 26627 1 673 . 2 2 15 15 ASN CA C 13 54.808 0.035 . 1 . 80 . . 264 ASN CA . 26627 1 674 . 2 2 15 15 ASN CB C 13 38.629 . . 1 . 128 . . 264 ASN CB . 26627 1 675 . 2 2 15 15 ASN N N 15 117.732 0.031 . 1 . 20 . . 264 ASN N . 26627 1 676 . 2 2 16 16 TRP H H 1 8.070 0.004 . 1 . 43 . . 265 TRP H . 26627 1 677 . 2 2 16 16 TRP HA H 1 4.353 . . 1 . 255 . . 265 TRP HA . 26627 1 678 . 2 2 16 16 TRP HB2 H 1 3.337 . . 1 . 212 . . 265 TRP HB2 . 26627 1 679 . 2 2 16 16 TRP HB3 H 1 3.337 . . 1 . 213 . . 265 TRP HB3 . 26627 1 680 . 2 2 16 16 TRP HD1 H 1 7.284 . . 1 . 258 . . 265 TRP HD1 . 26627 1 681 . 2 2 16 16 TRP C C 13 179.383 . . 1 . 223 . . 265 TRP C . 26627 1 682 . 2 2 16 16 TRP CA C 13 59.958 0.074 . 1 . 90 . . 265 TRP CA . 26627 1 683 . 2 2 16 16 TRP N N 15 120.761 0.032 . 1 . 44 . . 265 TRP N . 26627 1 684 . 2 2 17 17 HIS H H 1 8.234 0.008 . 1 . 37 . . 266 HIS H . 26627 1 685 . 2 2 17 17 HIS HA H 1 4.325 0.001 . 1 . 220 . . 266 HIS HA . 26627 1 686 . 2 2 17 17 HIS HB2 H 1 3.183 0.005 . 1 . 219 . . 266 HIS HB2 . 26627 1 687 . 2 2 17 17 HIS C C 13 176.420 . . 1 . 224 . . 266 HIS C . 26627 1 688 . 2 2 17 17 HIS CA C 13 58.163 . . 1 . 87 . . 266 HIS CA . 26627 1 689 . 2 2 17 17 HIS N N 15 117.585 0.118 . 1 . 38 . . 266 HIS N . 26627 1 690 . 2 2 18 18 GLN H H 1 8.054 0.004 . 1 . 1 . . 267 GLN H . 26627 1 691 . 2 2 18 18 GLN HA H 1 4.138 . . 1 . 179 . . 267 GLN HA . 26627 1 692 . 2 2 18 18 GLN C C 13 176.837 . . 1 . 117 . . 267 GLN C . 26627 1 693 . 2 2 18 18 GLN CA C 13 57.196 . . 1 . 176 . . 267 GLN CA . 26627 1 694 . 2 2 18 18 GLN CB C 13 29.137 . . 1 . 175 . . 267 GLN CB . 26627 1 695 . 2 2 18 18 GLN N N 15 118.604 0.065 . 1 . 2 . . 267 GLN N . 26627 1 696 . 2 2 19 19 LEU H H 1 7.888 0.006 . 1 . 39 . . 268 LEU H . 26627 1 697 . 2 2 19 19 LEU HA H 1 4.166 0.002 . 1 . 101 . . 268 LEU HA . 26627 1 698 . 2 2 19 19 LEU C C 13 177.243 . . 1 . 119 . . 268 LEU C . 26627 1 699 . 2 2 19 19 LEU CA C 13 56.198 0.047 . 1 . 88 . . 268 LEU CA . 26627 1 700 . 2 2 19 19 LEU CB C 13 42.271 0.008 . 1 . 98 . . 268 LEU CB . 26627 1 701 . 2 2 19 19 LEU N N 15 119.826 0.047 . 1 . 40 . . 268 LEU N . 26627 1 702 . 2 2 20 20 HIS H H 1 8.088 0.008 . 1 . 9 . . 269 HIS H . 26627 1 703 . 2 2 20 20 HIS HA H 1 4.564 0.006 . 1 . 102 . . 269 HIS HA . 26627 1 704 . 2 2 20 20 HIS HB2 H 1 2.915 . . 2 . 177 . . 269 HIS HB2 . 26627 1 705 . 2 2 20 20 HIS HB3 H 1 3.151 . . 2 . 178 . . 269 HIS HB3 . 26627 1 706 . 2 2 20 20 HIS C C 13 175.631 . . 1 . 118 . . 269 HIS C . 26627 1 707 . 2 2 20 20 HIS CA C 13 56.606 0.036 . 1 . 75 . . 269 HIS CA . 26627 1 708 . 2 2 20 20 HIS N N 15 117.499 0.067 . 1 . 10 . . 269 HIS N . 26627 1 709 . 2 2 21 21 GLY H H 1 8.250 0.006 . 1 . 3 . . 270 GLY H . 26627 1 710 . 2 2 21 21 GLY HA2 H 1 3.936 0.01 . 1 . 100 . . 270 GLY HA2 . 26627 1 711 . 2 2 21 21 GLY C C 13 174.722 . . 1 . 121 . . 270 GLY C . 26627 1 712 . 2 2 21 21 GLY CA C 13 45.816 0.057 . 1 . 72 . . 270 GLY CA . 26627 1 713 . 2 2 21 21 GLY N N 15 109.089 0.047 . 1 . 4 . . 270 GLY N . 26627 1 714 . 2 2 22 22 LYS H H 1 8.299 0.005 . 1 . 41 . . 271 LYS H . 26627 1 715 . 2 2 22 22 LYS HA H 1 4.304 0.009 . 1 . 198 . . 271 LYS HA . 26627 1 716 . 2 2 22 22 LYS C C 13 177.039 . . 1 . 123 . . 271 LYS C . 26627 1 717 . 2 2 22 22 LYS CA C 13 56.900 0.037 . 1 . 89 . . 271 LYS CA . 26627 1 718 . 2 2 22 22 LYS CB C 13 32.879 0.043 . 1 . 122 . . 271 LYS CB . 26627 1 719 . 2 2 22 22 LYS N N 15 121.112 0.049 . 1 . 42 . . 271 LYS N . 26627 1 720 . 2 2 23 23 LYS H H 1 8.310 0.004 . 1 . 29 . . 272 LYS H . 26627 1 721 . 2 2 23 23 LYS HA H 1 4.206 0.001 . 1 . 197 . . 272 LYS HA . 26627 1 722 . 2 2 23 23 LYS HB2 H 1 1.813 0.005 . 1 . 232 . . 272 LYS HB2 . 26627 1 723 . 2 2 23 23 LYS C C 13 177.256 . . 1 . 236 . . 272 LYS C . 26627 1 724 . 2 2 23 23 LYS CA C 13 57.879 0.006 . 1 . 83 . . 272 LYS CA . 26627 1 725 . 2 2 23 23 LYS CB C 13 32.708 0.011 . 1 . 180 . . 272 LYS CB . 26627 1 726 . 2 2 23 23 LYS N N 15 122.064 0.067 . 1 . 30 . . 272 LYS N . 26627 1 727 . 2 2 24 24 GLU H H 1 8.462 0.006 . 1 . 59 . . 273 GLU H . 26627 1 728 . 2 2 24 24 GLU HA H 1 4.230 0.001 . 1 . 230 . . 273 GLU HA . 26627 1 729 . 2 2 24 24 GLU HB2 H 1 2.000 0.008 . 1 . 233 . . 273 GLU HB2 . 26627 1 730 . 2 2 24 24 GLU HG2 H 1 2.269 0.001 . 1 . 234 . . 273 GLU HG2 . 26627 1 731 . 2 2 24 24 GLU C C 13 177.691 . . 1 . 237 . . 273 GLU C . 26627 1 732 . 2 2 24 24 GLU CA C 13 57.723 0.011 . 1 . 97 . . 273 GLU CA . 26627 1 733 . 2 2 24 24 GLU CB C 13 29.876 . . 1 . 135 . . 273 GLU CB . 26627 1 734 . 2 2 24 24 GLU N N 15 120.332 0.059 . 1 . 60 . . 273 GLU N . 26627 1 735 . 2 2 25 25 ALA H H 1 8.212 0.01 . 1 . 53 . . 274 ALA H . 26627 1 736 . 2 2 25 25 ALA HA H 1 4.247 . . 1 . 235 . . 274 ALA HA . 26627 1 737 . 2 2 25 25 ALA HB1 H 1 1.426 0.001 . 1 . 231 . . 274 ALA HB1 . 26627 1 738 . 2 2 25 25 ALA HB2 H 1 1.426 0.001 . 1 . 231 . . 274 ALA HB2 . 26627 1 739 . 2 2 25 25 ALA HB3 H 1 1.426 0.001 . 1 . 231 . . 274 ALA HB3 . 26627 1 740 . 2 2 25 25 ALA CA C 13 54.378 . . 1 . 94 . . 274 ALA CA . 26627 1 741 . 2 2 25 25 ALA CB C 13 18.976 . . 1 . 134 . . 274 ALA CB . 26627 1 742 . 2 2 25 25 ALA N N 15 123.911 0.083 . 1 . 54 . . 274 ALA N . 26627 1 743 . 2 2 26 26 TYR H H 1 8.209 0.006 . 1 . 251 . . 275 TYR H . 26627 1 744 . 2 2 26 26 TYR HA H 1 4.250 0.001 . 1 . 253 . . 275 TYR HA . 26627 1 745 . 2 2 26 26 TYR HB2 H 1 3.024 0.01 . 1 . 254 . . 275 TYR HB2 . 26627 1 746 . 2 2 26 26 TYR C C 13 176.921 . . 1 . 196 . . 275 TYR C . 26627 1 747 . 2 2 26 26 TYR CA C 13 61.359 0.002 . 1 . 195 . . 275 TYR CA . 26627 1 748 . 2 2 26 26 TYR CB C 13 40.224 . . 1 . 229 . . 275 TYR CB . 26627 1 749 . 2 2 26 26 TYR N N 15 117.976 0.058 . 1 . 250 . . 275 TYR N . 26627 1 750 . 2 2 27 27 ASP H H 1 8.401 0.006 . 1 . 35 . . 276 ASP H . 26627 1 751 . 2 2 27 27 ASP HA H 1 4.389 0.001 . 1 . 252 . . 276 ASP HA . 26627 1 752 . 2 2 27 27 ASP HB2 H 1 2.661 0.004 . 2 . 191 . . 276 ASP HB2 . 26627 1 753 . 2 2 27 27 ASP HB3 H 1 2.763 0.004 . 2 . 192 . . 276 ASP HB3 . 26627 1 754 . 2 2 27 27 ASP C C 13 178.416 . . 1 . 190 . . 276 ASP C . 26627 1 755 . 2 2 27 27 ASP CA C 13 56.916 0.053 . 1 . 86 . . 276 ASP CA . 26627 1 756 . 2 2 27 27 ASP N N 15 119.182 0.109 . 1 . 36 . . 276 ASP N . 26627 1 757 . 2 2 28 28 THR H H 1 7.993 0.003 . 1 . 55 . . 277 THR H . 26627 1 758 . 2 2 28 28 THR HA H 1 3.976 0.005 . 1 . 187 . . 277 THR HA . 26627 1 759 . 2 2 28 28 THR HB H 1 4.248 0.003 . 1 . 256 . . 277 THR HB . 26627 1 760 . 2 2 28 28 THR HG21 H 1 1.233 0.003 . 1 . 193 . . 277 THR HG21 . 26627 1 761 . 2 2 28 28 THR HG22 H 1 1.233 0.003 . 1 . 193 . . 277 THR HG22 . 26627 1 762 . 2 2 28 28 THR HG23 H 1 1.233 0.003 . 1 . 193 . . 277 THR HG23 . 26627 1 763 . 2 2 28 28 THR C C 13 175.216 . . 1 . 189 . . 277 THR C . 26627 1 764 . 2 2 28 28 THR CA C 13 65.515 0.059 . 1 . 95 . . 277 THR CA . 26627 1 765 . 2 2 28 28 THR CB C 13 72.945 . . 1 . 257 . . 277 THR CB . 26627 1 766 . 2 2 28 28 THR N N 15 114.845 0.06 . 1 . 56 . . 277 THR N . 26627 1 767 . 2 2 29 29 LEU H H 1 7.761 0.005 . 1 . 15 . . 278 LEU H . 26627 1 768 . 2 2 29 29 LEU HA H 1 4.198 . . 1 . 228 . . 278 LEU HA . 26627 1 769 . 2 2 29 29 LEU HB2 H 1 1.679 0.002 . 1 . 194 . . 278 LEU HB2 . 26627 1 770 . 2 2 29 29 LEU CA C 13 57.717 0.027 . 1 . 78 . . 278 LEU CA . 26627 1 771 . 2 2 29 29 LEU CB C 13 42.141 . . 1 . 188 . . 278 LEU CB . 26627 1 772 . 2 2 29 29 LEU N N 15 122.077 0.084 . 1 . 16 . . 278 LEU N . 26627 1 773 . 2 2 30 30 ILE HA H 1 3.786 . . 1 . 244 . . 279 ILE HA . 26627 1 774 . 2 2 30 30 ILE HD11 H 1 0.916 . . 1 . 249 . . 279 ILE HD11 . 26627 1 775 . 2 2 30 30 ILE HD12 H 1 0.916 . . 1 . 249 . . 279 ILE HD12 . 26627 1 776 . 2 2 30 30 ILE HD13 H 1 0.916 . . 1 . 249 . . 279 ILE HD13 . 26627 1 777 . 2 2 30 30 ILE C C 13 177.682 . . 1 . 240 . . 279 ILE C . 26627 1 778 . 2 2 30 30 ILE CA C 13 63.742 . . 1 . 242 . . 279 ILE CA . 26627 1 779 . 2 2 30 30 ILE CB C 13 42.670 . . 1 . 243 . . 279 ILE CB . 26627 1 780 . 2 2 31 31 LYS H H 1 7.798 0.003 . 1 . 57 . . 280 LYS H . 26627 1 781 . 2 2 31 31 LYS HA H 1 4.007 0.006 . 1 . 238 . . 280 LYS HA . 26627 1 782 . 2 2 31 31 LYS HB2 H 1 1.889 0.003 . 1 . 247 . . 280 LYS HB2 . 26627 1 783 . 2 2 31 31 LYS HB3 H 1 1.889 0.003 . 1 . 248 . . 280 LYS HB3 . 26627 1 784 . 2 2 31 31 LYS C C 13 178.632 . . 1 . 241 . . 280 LYS C . 26627 1 785 . 2 2 31 31 LYS CA C 13 59.157 0.013 . 1 . 70 . . 280 LYS CA . 26627 1 786 . 2 2 31 31 LYS CB C 13 32.428 . . 1 . 239 . . 280 LYS CB . 26627 1 787 . 2 2 31 31 LYS N N 15 120.421 0.12 . 1 . 58 . . 280 LYS N . 26627 1 788 . 2 2 32 32 ASP H H 1 8.218 0.005 . 1 . 63 . . 281 ASP H . 26627 1 789 . 2 2 32 32 ASP HA H 1 4.521 0.009 . 1 . 185 . . 281 ASP HA . 26627 1 790 . 2 2 32 32 ASP HB2 H 1 2.672 . . 2 . 245 . . 281 ASP HB2 . 26627 1 791 . 2 2 32 32 ASP HB3 H 1 2.744 . . 2 . 246 . . 281 ASP HB3 . 26627 1 792 . 2 2 32 32 ASP CA C 13 56.392 0.054 . 1 . 71 . . 281 ASP CA . 26627 1 793 . 2 2 32 32 ASP CB C 13 40.773 . . 1 . 136 . . 281 ASP CB . 26627 1 794 . 2 2 32 32 ASP N N 15 120.161 0.1 . 1 . 64 . . 281 ASP N . 26627 1 795 . 2 2 33 33 LEU C C 13 178.736 . . 1 . 126 . . 282 LEU C . 26627 1 796 . 2 2 33 33 LEU CA C 13 57.027 0.013 . 1 . 211 . . 282 LEU CA . 26627 1 797 . 2 2 33 33 LEU CB C 13 42.320 0.015 . 1 . 124 . . 282 LEU CB . 26627 1 798 . 2 2 34 34 LYS H H 1 8.055 0.004 . 1 . 11 . . 283 LYS H . 26627 1 799 . 2 2 34 34 LYS HA H 1 4.134 0.003 . 1 . 199 . . 283 LYS HA . 26627 1 800 . 2 2 34 34 LYS C C 13 177.825 . . 1 . 225 . . 283 LYS C . 26627 1 801 . 2 2 34 34 LYS CA C 13 57.951 0.003 . 1 . 76 . . 283 LYS CA . 26627 1 802 . 2 2 34 34 LYS CB C 13 32.480 . . 1 . 125 . . 283 LYS CB . 26627 1 803 . 2 2 34 34 LYS N N 15 118.862 0.04 . 1 . 12 . . 283 LYS N . 26627 1 804 . 2 2 35 35 LYS H H 1 7.785 0.005 . 1 . 31 . . 284 LYS H . 26627 1 805 . 2 2 35 35 LYS HA H 1 4.208 . . 1 . 210 . . 284 LYS HA . 26627 1 806 . 2 2 35 35 LYS HB2 H 1 1.879 0.004 . 1 . 186 . . 284 LYS HB2 . 26627 1 807 . 2 2 35 35 LYS HB3 H 1 1.879 0.004 . 1 . 209 . . 284 LYS HB3 . 26627 1 808 . 2 2 35 35 LYS C C 13 176.785 . . 1 . 226 . . 284 LYS C . 26627 1 809 . 2 2 35 35 LYS CA C 13 57.206 0.064 . 1 . 84 . . 284 LYS CA . 26627 1 810 . 2 2 35 35 LYS CB C 13 32.758 0.057 . 1 . 103 . . 284 LYS CB . 26627 1 811 . 2 2 35 35 LYS N N 15 119.763 0.076 . 1 . 32 . . 284 LYS N . 26627 1 812 . 2 2 36 36 ALA H H 1 7.868 0.005 . 1 . 65 . . 285 ALA H . 26627 1 813 . 2 2 36 36 ALA HA H 1 4.235 0.003 . 1 . 200 . . 285 ALA HA . 26627 1 814 . 2 2 36 36 ALA HB1 H 1 1.414 0.004 . 1 . 201 . . 285 ALA HB1 . 26627 1 815 . 2 2 36 36 ALA HB2 H 1 1.414 0.004 . 1 . 201 . . 285 ALA HB2 . 26627 1 816 . 2 2 36 36 ALA HB3 H 1 1.414 0.004 . 1 . 201 . . 285 ALA HB3 . 26627 1 817 . 2 2 36 36 ALA C C 13 177.361 . . 1 . 120 . . 285 ALA C . 26627 1 818 . 2 2 36 36 ALA CA C 13 52.881 0.01 . 1 . 67 . . 285 ALA CA . 26627 1 819 . 2 2 36 36 ALA CB C 13 19.132 0.066 . 1 . 104 . . 285 ALA CB . 26627 1 820 . 2 2 36 36 ALA N N 15 122.625 0.056 . 1 . 66 . . 285 ALA N . 26627 1 821 . 2 2 37 37 ASN H H 1 8.087 0.006 . 1 . 5 . . 286 ASN H . 26627 1 822 . 2 2 37 37 ASN HA H 1 4.264 0.008 . 1 . 203 . . 286 ASN HA . 26627 1 823 . 2 2 37 37 ASN HB2 H 1 2.695 0.006 . 2 . 204 . . 286 ASN HB2 . 26627 1 824 . 2 2 37 37 ASN HB3 H 1 2.867 . . 2 . 205 . . 286 ASN HB3 . 26627 1 825 . 2 2 37 37 ASN C C 13 174.007 . . 1 . 227 . . 286 ASN C . 26627 1 826 . 2 2 37 37 ASN CA C 13 53.290 0.039 . 1 . 73 . . 286 ASN CA . 26627 1 827 . 2 2 37 37 ASN CB C 13 39.036 0.018 . 1 . 99 . . 286 ASN CB . 26627 1 828 . 2 2 37 37 ASN N N 15 117.185 0.057 . 1 . 6 . . 286 ASN N . 26627 1 829 . 2 2 38 38 LEU H H 1 7.657 0.005 . 1 . 23 . . 287 LEU H . 26627 1 830 . 2 2 38 38 LEU HA H 1 4.158 . . 1 . 202 . . 287 LEU HA . 26627 1 831 . 2 2 38 38 LEU HB2 H 1 1.597 . . 1 . 206 . . 287 LEU HB2 . 26627 1 832 . 2 2 38 38 LEU HB3 H 1 1.597 . . 1 . 207 . . 287 LEU HB3 . 26627 1 833 . 2 2 38 38 LEU HD11 H 1 0.863 . . 1 . 208 . . 287 LEU HD11 . 26627 1 834 . 2 2 38 38 LEU HD12 H 1 0.863 . . 1 . 208 . . 287 LEU HD12 . 26627 1 835 . 2 2 38 38 LEU HD13 H 1 0.863 . . 1 . 208 . . 287 LEU HD13 . 26627 1 836 . 2 2 38 38 LEU CA C 13 56.870 0.019 . 1 . 82 . . 287 LEU CA . 26627 1 837 . 2 2 38 38 LEU CB C 13 43.427 . . 1 . 130 . . 287 LEU CB . 26627 1 838 . 2 2 38 38 LEU N N 15 127.331 0.071 . 1 . 24 . . 287 LEU N . 26627 1 stop_ save_