data_18294 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18294 _Entry.Title ; Backbone 1HN, 13C, and 15N Chemical Shift Assignments for Granulocyte colony-stimulating factor A30G ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-02-24 _Entry.Accession_date 2012-02-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Human Granulocyte Colony-Stimulating Factor metGCSF A31G' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Simon Sauve . . . 18294 2 Derek Hodgson . . . 18294 3 Yves Aubin . . . 18294 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Health Canada' . 18294 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18294 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 475 18294 '15N chemical shifts' 155 18294 '1H chemical shifts' 161 18294 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-11-20 2012-02-24 update BMRB 'change chemical shifts of SER O to HG' 18294 1 . . 2012-08-21 2012-02-24 original author 'original release' 18294 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18291 'Granulocyte colony-stimulating factor' 18294 BMRB 18293 'Granulocyte colony-stimulating factor A29G' 18294 BMRB 18295 'Granulocyte colony-stimulating factor A37G' 18294 stop_ save_ ############### # Citations # ############### save_metGCSF_A31G _Citation.Sf_category citations _Citation.Sf_framecode metGCSF_A31G _Citation.Entry_ID 18294 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Comparability Study of the Structure of Filgrastim and Mutants using the NMR Fingerprint Assay' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Pharm. Sci.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Derek Hodgson . J. . 18294 1 2 William Thach . B. . 18294 1 3 Genevieve Gingras . . . 18294 1 4 Simon Sauve . . . 18294 1 5 Adrian Bristow . F. . 18294 1 6 Yves Aubin . . . 18294 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Filgrastim 18294 1 G-CSF 18294 1 Neupogen 18294 1 'NMR fingerprint' 18294 1 'subsequent entry biologics' 18294 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18294 _Assembly.ID 1 _Assembly.Name 'Granulocyte colony-stimulating factor A30G' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Granulocyte colony-stimulating factor A30G' 1 $metGCSFA31G A . yes native no no . . . 18294 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 37 37 SG . 1 . 1 CYS 43 43 SG . . . . . . . . . . 18294 1 2 disulfide single . 1 . 1 CYS 65 65 SG . 1 . 1 CYS 75 75 SG . . . . . . . . . . 18294 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_metGCSFA31G _Entity.Sf_category entity _Entity.Sf_framecode metGCSFA31G _Entity.Entry_ID 18294 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name metGCSFA31G _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTPLGPASSLPQSFLLKCLE QVRKIQGDGAGLQEKLCATY KLCHPEELVLLGHSLGIPWA PLSSCPSQALQLAGCLSQLH SGLFLYQGLLQALEGISPEL GPTLDTLQLDVADFATTIWQ QMEELGMAPALQPTQGAMPA FASAFQRRAGGVLVASHLQS FLEVSYRVLRHLAQP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residue 1 is a methionine Residue 31 is mutated from Ala to Gly ; _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 175 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18291 . metGCSF . . . . . 100.00 175 99.43 99.43 3.96e-118 . . . . 18294 1 2 no BMRB 18293 . metGCSFA30G . . . . . 100.00 175 98.86 98.86 2.28e-117 . . . . 18294 1 3 no BMRB 18295 . metGCSFA38G . . . . . 100.00 175 98.86 98.86 2.28e-117 . . . . 18294 1 4 no PDB 1CD9 . "2:2 Complex Of G-Csf With Its Receptor" . . . . . 100.00 175 99.43 99.43 3.96e-118 . . . . 18294 1 5 no PDB 1GNC . "Structure And Dynamics Of The Human Granulocyte Colony- Stimulating Factor Determined By Nmr Spectroscopy. Loop Mobility In A F" . . . . . 101.71 178 97.75 97.75 3.37e-116 . . . . 18294 1 6 no PDB 1PGR . "2:2 Complex Of G-Csf With Its Receptor" . . . . . 100.00 175 99.43 99.43 3.96e-118 . . . . 18294 1 7 no PDB 1RHG . "The Structure Of Granulocyte-Colony-Stimulating Factor And Its Relationship To Those Of Other Growth Factors" . . . . . 99.43 174 99.43 99.43 2.43e-117 . . . . 18294 1 8 no PDB 2D9Q . "Crystal Structure Of The Human Gcsf-Receptor Signaling Complex" . . . . . 99.43 174 99.43 99.43 2.43e-117 . . . . 18294 1 9 no DBJ BAF82936 . "unnamed protein product [Homo sapiens]" . . . . . 99.43 200 99.43 99.43 6.02e-117 . . . . 18294 1 10 no DBJ BAG36289 . "unnamed protein product [Homo sapiens]" . . . . . 99.43 204 99.43 99.43 3.71e-117 . . . . 18294 1 11 no DBJ BAJ21174 . "colony stimulating factor 3 [synthetic construct]" . . . . . 99.43 204 99.43 99.43 3.71e-117 . . . . 18294 1 12 no EMBL CAA27168 . "unnamed protein product [Homo sapiens]" . . . . . 101.14 207 97.74 97.74 4.13e-115 . . . . 18294 1 13 no EMBL CAA27290 . "G-CSF protein [Homo sapiens]" . . . . . 99.43 204 99.43 99.43 3.71e-117 . . . . 18294 1 14 no EMBL CAA27291 . "G-CSF protein [Homo sapiens]" . . . . . 101.14 207 97.74 97.74 4.13e-115 . . . . 18294 1 15 no EMBL CAG46689 . "CSF3 [Homo sapiens]" . . . . . 99.43 204 99.43 99.43 3.71e-117 . . . . 18294 1 16 no GB AAA03056 . "human granulocyte-colony stimulating factor, partial [Homo sapiens]" . . . . . 99.43 186 99.43 99.43 3.33e-117 . . . . 18294 1 17 no GB AAA35882 . "granulocyte colony stimulating factor precursor [Homo sapiens]" . . . . . 99.43 204 99.43 99.43 3.71e-117 . . . . 18294 1 18 no GB AAH33245 . "Colony stimulating factor 3 (granulocyte) [Homo sapiens]" . . . . . 99.43 200 99.43 99.43 6.02e-117 . . . . 18294 1 19 no GB AAK62469 . "colony stimulating factor 3 (granulocyte) [Homo sapiens]" . . . . . 101.14 207 97.74 97.74 4.13e-115 . . . . 18294 1 20 no GB AAV38741 . "colony stimulating factor 3 (granulocyte) [synthetic construct]" . . . . . 99.43 205 98.85 99.43 4.23e-117 . . . . 18294 1 21 no PRF 1203374A . "colony stimulating factor,granulocyte" . . . . . 101.14 207 97.74 97.74 4.13e-115 . . . . 18294 1 22 no REF NP_000750 . "granulocyte colony-stimulating factor isoform a precursor [Homo sapiens]" . . . . . 101.14 207 97.74 97.74 4.13e-115 . . . . 18294 1 23 no REF NP_757373 . "granulocyte colony-stimulating factor isoform b precursor [Homo sapiens]" . . . . . 99.43 204 99.43 99.43 3.71e-117 . . . . 18294 1 24 no REF XP_002827665 . "PREDICTED: granulocyte colony-stimulating factor isoform X2 [Pongo abelii]" . . . . . 99.43 204 97.13 98.85 2.66e-115 . . . . 18294 1 25 no REF XP_003278307 . "PREDICTED: granulocyte colony-stimulating factor isoform X2 [Nomascus leucogenys]" . . . . . 99.43 204 97.13 97.70 3.42e-114 . . . . 18294 1 26 no REF XP_003831483 . "PREDICTED: granulocyte colony-stimulating factor isoform X1 [Pan paniscus]" . . . . . 99.43 204 99.43 99.43 3.71e-117 . . . . 18294 1 27 no SP P09919 . "RecName: Full=Granulocyte colony-stimulating factor; Short=G-CSF; AltName: Full=Pluripoietin; AltName: INN=Filgrastim; AltName:" . . . . . 101.14 207 97.74 97.74 4.13e-115 . . . . 18294 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 MET . 18294 1 2 1 THR . 18294 1 3 2 PRO . 18294 1 4 3 LEU . 18294 1 5 4 GLY . 18294 1 6 5 PRO . 18294 1 7 6 ALA . 18294 1 8 7 SER . 18294 1 9 8 SER . 18294 1 10 9 LEU . 18294 1 11 10 PRO . 18294 1 12 11 GLN . 18294 1 13 12 SER . 18294 1 14 13 PHE . 18294 1 15 14 LEU . 18294 1 16 15 LEU . 18294 1 17 16 LYS . 18294 1 18 17 CYS . 18294 1 19 18 LEU . 18294 1 20 19 GLU . 18294 1 21 20 GLN . 18294 1 22 21 VAL . 18294 1 23 22 ARG . 18294 1 24 23 LYS . 18294 1 25 24 ILE . 18294 1 26 25 GLN . 18294 1 27 26 GLY . 18294 1 28 27 ASP . 18294 1 29 28 GLY . 18294 1 30 29 ALA . 18294 1 31 30 GLY . 18294 1 32 31 LEU . 18294 1 33 32 GLN . 18294 1 34 33 GLU . 18294 1 35 34 LYS . 18294 1 36 35 LEU . 18294 1 37 36 CYS . 18294 1 38 37 ALA . 18294 1 39 38 THR . 18294 1 40 39 TYR . 18294 1 41 40 LYS . 18294 1 42 41 LEU . 18294 1 43 42 CYS . 18294 1 44 43 HIS . 18294 1 45 44 PRO . 18294 1 46 45 GLU . 18294 1 47 46 GLU . 18294 1 48 47 LEU . 18294 1 49 48 VAL . 18294 1 50 49 LEU . 18294 1 51 50 LEU . 18294 1 52 51 GLY . 18294 1 53 52 HIS . 18294 1 54 53 SER . 18294 1 55 54 LEU . 18294 1 56 55 GLY . 18294 1 57 56 ILE . 18294 1 58 57 PRO . 18294 1 59 58 TRP . 18294 1 60 59 ALA . 18294 1 61 60 PRO . 18294 1 62 61 LEU . 18294 1 63 62 SER . 18294 1 64 63 SER . 18294 1 65 64 CYS . 18294 1 66 65 PRO . 18294 1 67 66 SER . 18294 1 68 67 GLN . 18294 1 69 68 ALA . 18294 1 70 69 LEU . 18294 1 71 70 GLN . 18294 1 72 71 LEU . 18294 1 73 72 ALA . 18294 1 74 73 GLY . 18294 1 75 74 CYS . 18294 1 76 75 LEU . 18294 1 77 76 SER . 18294 1 78 77 GLN . 18294 1 79 78 LEU . 18294 1 80 79 HIS . 18294 1 81 80 SER . 18294 1 82 81 GLY . 18294 1 83 82 LEU . 18294 1 84 83 PHE . 18294 1 85 84 LEU . 18294 1 86 85 TYR . 18294 1 87 86 GLN . 18294 1 88 87 GLY . 18294 1 89 88 LEU . 18294 1 90 89 LEU . 18294 1 91 90 GLN . 18294 1 92 91 ALA . 18294 1 93 92 LEU . 18294 1 94 93 GLU . 18294 1 95 94 GLY . 18294 1 96 95 ILE . 18294 1 97 96 SER . 18294 1 98 97 PRO . 18294 1 99 98 GLU . 18294 1 100 99 LEU . 18294 1 101 100 GLY . 18294 1 102 101 PRO . 18294 1 103 102 THR . 18294 1 104 103 LEU . 18294 1 105 104 ASP . 18294 1 106 105 THR . 18294 1 107 106 LEU . 18294 1 108 107 GLN . 18294 1 109 108 LEU . 18294 1 110 109 ASP . 18294 1 111 110 VAL . 18294 1 112 111 ALA . 18294 1 113 112 ASP . 18294 1 114 113 PHE . 18294 1 115 114 ALA . 18294 1 116 115 THR . 18294 1 117 116 THR . 18294 1 118 117 ILE . 18294 1 119 118 TRP . 18294 1 120 119 GLN . 18294 1 121 120 GLN . 18294 1 122 121 MET . 18294 1 123 122 GLU . 18294 1 124 123 GLU . 18294 1 125 124 LEU . 18294 1 126 125 GLY . 18294 1 127 126 MET . 18294 1 128 127 ALA . 18294 1 129 128 PRO . 18294 1 130 129 ALA . 18294 1 131 130 LEU . 18294 1 132 131 GLN . 18294 1 133 132 PRO . 18294 1 134 133 THR . 18294 1 135 134 GLN . 18294 1 136 135 GLY . 18294 1 137 136 ALA . 18294 1 138 137 MET . 18294 1 139 138 PRO . 18294 1 140 139 ALA . 18294 1 141 140 PHE . 18294 1 142 141 ALA . 18294 1 143 142 SER . 18294 1 144 143 ALA . 18294 1 145 144 PHE . 18294 1 146 145 GLN . 18294 1 147 146 ARG . 18294 1 148 147 ARG . 18294 1 149 148 ALA . 18294 1 150 149 GLY . 18294 1 151 150 GLY . 18294 1 152 151 VAL . 18294 1 153 152 LEU . 18294 1 154 153 VAL . 18294 1 155 154 ALA . 18294 1 156 155 SER . 18294 1 157 156 HIS . 18294 1 158 157 LEU . 18294 1 159 158 GLN . 18294 1 160 159 SER . 18294 1 161 160 PHE . 18294 1 162 161 LEU . 18294 1 163 162 GLU . 18294 1 164 163 VAL . 18294 1 165 164 SER . 18294 1 166 165 TYR . 18294 1 167 166 ARG . 18294 1 168 167 VAL . 18294 1 169 168 LEU . 18294 1 170 169 ARG . 18294 1 171 170 HIS . 18294 1 172 171 LEU . 18294 1 173 172 ALA . 18294 1 174 173 GLN . 18294 1 175 174 PRO . 18294 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18294 1 . THR 2 2 18294 1 . PRO 3 3 18294 1 . LEU 4 4 18294 1 . GLY 5 5 18294 1 . PRO 6 6 18294 1 . ALA 7 7 18294 1 . SER 8 8 18294 1 . SER 9 9 18294 1 . LEU 10 10 18294 1 . PRO 11 11 18294 1 . GLN 12 12 18294 1 . SER 13 13 18294 1 . PHE 14 14 18294 1 . LEU 15 15 18294 1 . LEU 16 16 18294 1 . LYS 17 17 18294 1 . CYS 18 18 18294 1 . LEU 19 19 18294 1 . GLU 20 20 18294 1 . GLN 21 21 18294 1 . VAL 22 22 18294 1 . ARG 23 23 18294 1 . LYS 24 24 18294 1 . ILE 25 25 18294 1 . GLN 26 26 18294 1 . GLY 27 27 18294 1 . ASP 28 28 18294 1 . GLY 29 29 18294 1 . ALA 30 30 18294 1 . GLY 31 31 18294 1 . LEU 32 32 18294 1 . GLN 33 33 18294 1 . GLU 34 34 18294 1 . LYS 35 35 18294 1 . LEU 36 36 18294 1 . CYS 37 37 18294 1 . ALA 38 38 18294 1 . THR 39 39 18294 1 . TYR 40 40 18294 1 . LYS 41 41 18294 1 . LEU 42 42 18294 1 . CYS 43 43 18294 1 . HIS 44 44 18294 1 . PRO 45 45 18294 1 . GLU 46 46 18294 1 . GLU 47 47 18294 1 . LEU 48 48 18294 1 . VAL 49 49 18294 1 . LEU 50 50 18294 1 . LEU 51 51 18294 1 . GLY 52 52 18294 1 . HIS 53 53 18294 1 . SER 54 54 18294 1 . LEU 55 55 18294 1 . GLY 56 56 18294 1 . ILE 57 57 18294 1 . PRO 58 58 18294 1 . TRP 59 59 18294 1 . ALA 60 60 18294 1 . PRO 61 61 18294 1 . LEU 62 62 18294 1 . SER 63 63 18294 1 . SER 64 64 18294 1 . CYS 65 65 18294 1 . PRO 66 66 18294 1 . SER 67 67 18294 1 . GLN 68 68 18294 1 . ALA 69 69 18294 1 . LEU 70 70 18294 1 . GLN 71 71 18294 1 . LEU 72 72 18294 1 . ALA 73 73 18294 1 . GLY 74 74 18294 1 . CYS 75 75 18294 1 . LEU 76 76 18294 1 . SER 77 77 18294 1 . GLN 78 78 18294 1 . LEU 79 79 18294 1 . HIS 80 80 18294 1 . SER 81 81 18294 1 . GLY 82 82 18294 1 . LEU 83 83 18294 1 . PHE 84 84 18294 1 . LEU 85 85 18294 1 . TYR 86 86 18294 1 . GLN 87 87 18294 1 . GLY 88 88 18294 1 . LEU 89 89 18294 1 . LEU 90 90 18294 1 . GLN 91 91 18294 1 . ALA 92 92 18294 1 . LEU 93 93 18294 1 . GLU 94 94 18294 1 . GLY 95 95 18294 1 . ILE 96 96 18294 1 . SER 97 97 18294 1 . PRO 98 98 18294 1 . GLU 99 99 18294 1 . LEU 100 100 18294 1 . GLY 101 101 18294 1 . PRO 102 102 18294 1 . THR 103 103 18294 1 . LEU 104 104 18294 1 . ASP 105 105 18294 1 . THR 106 106 18294 1 . LEU 107 107 18294 1 . GLN 108 108 18294 1 . LEU 109 109 18294 1 . ASP 110 110 18294 1 . VAL 111 111 18294 1 . ALA 112 112 18294 1 . ASP 113 113 18294 1 . PHE 114 114 18294 1 . ALA 115 115 18294 1 . THR 116 116 18294 1 . THR 117 117 18294 1 . ILE 118 118 18294 1 . TRP 119 119 18294 1 . GLN 120 120 18294 1 . GLN 121 121 18294 1 . MET 122 122 18294 1 . GLU 123 123 18294 1 . GLU 124 124 18294 1 . LEU 125 125 18294 1 . GLY 126 126 18294 1 . MET 127 127 18294 1 . ALA 128 128 18294 1 . PRO 129 129 18294 1 . ALA 130 130 18294 1 . LEU 131 131 18294 1 . GLN 132 132 18294 1 . PRO 133 133 18294 1 . THR 134 134 18294 1 . GLN 135 135 18294 1 . GLY 136 136 18294 1 . ALA 137 137 18294 1 . MET 138 138 18294 1 . PRO 139 139 18294 1 . ALA 140 140 18294 1 . PHE 141 141 18294 1 . ALA 142 142 18294 1 . SER 143 143 18294 1 . ALA 144 144 18294 1 . PHE 145 145 18294 1 . GLN 146 146 18294 1 . ARG 147 147 18294 1 . ARG 148 148 18294 1 . ALA 149 149 18294 1 . GLY 150 150 18294 1 . GLY 151 151 18294 1 . VAL 152 152 18294 1 . LEU 153 153 18294 1 . VAL 154 154 18294 1 . ALA 155 155 18294 1 . SER 156 156 18294 1 . HIS 157 157 18294 1 . LEU 158 158 18294 1 . GLN 159 159 18294 1 . SER 160 160 18294 1 . PHE 161 161 18294 1 . LEU 162 162 18294 1 . GLU 163 163 18294 1 . VAL 164 164 18294 1 . SER 165 165 18294 1 . TYR 166 166 18294 1 . ARG 167 167 18294 1 . VAL 168 168 18294 1 . LEU 169 169 18294 1 . ARG 170 170 18294 1 . HIS 171 171 18294 1 . LEU 172 172 18294 1 . ALA 173 173 18294 1 . GLN 174 174 18294 1 . PRO 175 175 18294 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18294 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $metGCSFA31G . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . ; UniProt P09919-2 (short isoform with deletion of aminoacids 35-37 from mature protein Mutation A to G in position 31 ; . . 18294 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 18294 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $metGCSFA31G . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15b10 . . . . . . 18294 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18294 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 25mM Sodium Acetate pH 4.00 5% D2O ; _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 metGCSFA31G '[U-99% 13C; U-99% 15N]' . . 1 $metGCSFA31G . . 1 . . mM . . . . 18294 1 2 'sodium acetate' 'natural abundance' . . . . . . 25 . . mM . . . . 18294 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18294 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18294 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18294 _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 pH 4.0 . pH 18294 1 pressure 1 . atm 18294 1 temperature 298 . K 18294 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18294 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18294 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18294 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18294 _Software.ID 2 _Software.Name NMRView _Software.Version 8.2.15 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18294 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18294 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18294 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18294 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18294 3 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 18294 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18294 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 600 'TCI cryoprobe' . . 18294 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 18294 _Experiment_list.ID 1 _Experiment_list.Details 'Backbone HN, N, 13Ca, 13Cb and 13CO where determine by sequential assignement.' 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 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18294 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18294 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18294 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18294 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 18294 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18294 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18294 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18294 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 18294 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18294 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 18294 1 3 '3D HNCACB' . . . 18294 1 4 '3D CBCA(CO)NH' . . . 18294 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 172.1377 0.3 . 1 . . . . 0 MET C . 18294 1 2 . 1 1 1 1 MET CA C 13 54.9399 0.3 . 1 . . . . 0 MET CA . 18294 1 3 . 1 1 1 1 MET CB C 13 32.4491 0.3 . 1 . . . . 0 MET CB . 18294 1 4 . 1 1 2 2 THR H H 1 8.6438 0.03 . 1 . . . . 1 THR HN . 18294 1 5 . 1 1 2 2 THR CA C 13 60.1253 0.3 . 1 . . . . 1 THR CA . 18294 1 6 . 1 1 2 2 THR CB C 13 69.8816 0.3 . 1 . . . . 1 THR CB . 18294 1 7 . 1 1 2 2 THR N N 15 121.1058 0.5 . 1 . . . . 1 THR N . 18294 1 8 . 1 1 3 3 PRO C C 13 176.5987 0.3 . 1 . . . . 2 PRO C . 18294 1 9 . 1 1 3 3 PRO CA C 13 62.9852 0.3 . 1 . . . . 2 PRO CA . 18294 1 10 . 1 1 3 3 PRO CB C 13 31.9838 0.3 . 1 . . . . 2 PRO CB . 18294 1 11 . 1 1 4 4 LEU H H 1 8.3074 0.03 . 1 . . . . 3 LEU HN . 18294 1 12 . 1 1 4 4 LEU C C 13 177.4978 0.3 . 1 . . . . 3 LEU C . 18294 1 13 . 1 1 4 4 LEU CA C 13 55.0999 0.3 . 1 . . . . 3 LEU CA . 18294 1 14 . 1 1 4 4 LEU CB C 13 42.4160 0.3 . 1 . . . . 3 LEU CB . 18294 1 15 . 1 1 4 4 LEU N N 15 122.52905 0.5 . 1 . . . . 3 LEU N . 18294 1 16 . 1 1 5 5 GLY H H 1 8.1444 0.03 . 1 . . . . 4 GLY HN . 18294 1 17 . 1 1 5 5 GLY CA C 13 44.3258 0.3 . 1 . . . . 4 GLY CA . 18294 1 18 . 1 1 5 5 GLY N N 15 109.5047 0.5 . 1 . . . . 4 GLY N . 18294 1 19 . 1 1 6 6 PRO C C 13 176.6288 0.3 . 1 . . . . 5 PRO C . 18294 1 20 . 1 1 6 6 PRO CA C 13 62.7797 0.3 . 1 . . . . 5 PRO CA . 18294 1 21 . 1 1 6 6 PRO CB C 13 33.2936 0.3 . 1 . . . . 5 PRO CB . 18294 1 22 . 1 1 7 7 ALA H H 1 8.4934 0.03 . 1 . . . . 6 ALA HN . 18294 1 23 . 1 1 7 7 ALA C C 13 177.4856 0.3 . 1 . . . . 6 ALA C . 18294 1 24 . 1 1 7 7 ALA CA C 13 52.5684 0.3 . 1 . . . . 6 ALA CA . 18294 1 25 . 1 1 7 7 ALA CB C 13 19.1322 0.3 . 1 . . . . 6 ALA CB . 18294 1 26 . 1 1 7 7 ALA N N 15 124.1719 0.5 . 1 . . . . 6 ALA N . 18294 1 27 . 1 1 8 8 SER H H 1 8.2455 0.03 . 1 . . . . 7 SER HN . 18294 1 28 . 1 1 8 8 SER C C 13 173.8753 0.3 . 1 . . . . 7 SER C . 18294 1 29 . 1 1 8 8 SER CA C 13 58.4185 0.3 . 1 . . . . 7 SER CA . 18294 1 30 . 1 1 8 8 SER CB C 13 63.9820 0.3 . 1 . . . . 7 SER CB . 18294 1 31 . 1 1 8 8 SER N N 15 114.3880 0.5 . 1 . . . . 7 SER N . 18294 1 32 . 1 1 8 8 SER HG H 1 7.9449 0 . 1 . . . . 7 SER OG . 18294 1 33 . 1 1 9 9 SER H H 1 8.0077 0.03 . 1 . . . . 8 SER HN . 18294 1 34 . 1 1 9 9 SER HG H 1 8.2547 0 . 1 . . . . 8 SER O . 18294 1 35 . 1 1 9 9 SER C C 13 173.4802 0.3 . 1 . . . . 8 SER C . 18294 1 36 . 1 1 9 9 SER CA C 13 57.9744 0.3 . 1 . . . . 8 SER CA . 18294 1 37 . 1 1 9 9 SER CB C 13 64.3411 0.3 . 1 . . . . 8 SER CB . 18294 1 38 . 1 1 9 9 SER N N 15 116.4024 0.5 . 1 . . . . 8 SER N . 18294 1 39 . 1 1 10 10 LEU H H 1 8.3572 0.03 . 1 . . . . 9 LEU HN . 18294 1 40 . 1 1 10 10 LEU HD11 H 1 0.0000 0.03 . 2 . . . . 9 LEU HD11 . 18294 1 41 . 1 1 10 10 LEU HD12 H 1 0.0000 0.03 . 2 . . . . 9 LEU HD11 . 18294 1 42 . 1 1 10 10 LEU HD13 H 1 0.0000 0.03 . 2 . . . . 9 LEU HD11 . 18294 1 43 . 1 1 10 10 LEU CA C 13 51.9050 0.3 . 1 . . . . 9 LEU CA . 18294 1 44 . 1 1 10 10 LEU CB C 13 42.5445 0.3 . 1 . . . . 9 LEU CB . 18294 1 45 . 1 1 10 10 LEU N N 15 122.0152 0.5 . 1 . . . . 9 LEU N . 18294 1 46 . 1 1 11 11 PRO C C 13 178.0342 0.3 . 1 . . . . 10 PRO C . 18294 1 47 . 1 1 11 11 PRO CA C 13 62.5192 0.3 . 1 . . . . 10 PRO CA . 18294 1 48 . 1 1 11 11 PRO CB C 13 31.8138 0.3 . 1 . . . . 10 PRO CB . 18294 1 49 . 1 1 12 12 GLN H H 1 9.0514 0.03 . 1 . . . . 11 GLN HN . 18294 1 50 . 1 1 12 12 GLN C C 13 178.07408 0.3 . 1 . . . . 11 GLN C . 18294 1 51 . 1 1 12 12 GLN CA C 13 59.2834 0.3 . 1 . . . . 11 GLN CA . 18294 1 52 . 1 1 12 12 GLN CB C 13 28.1506 0.3 . 1 . . . . 11 GLN CB . 18294 1 53 . 1 1 12 12 GLN N N 15 125.2921 0.5 . 1 . . . . 11 GLN N . 18294 1 54 . 1 1 13 13 SER H H 1 8.4672 0.03 . 1 . . . . 12 SER HN . 18294 1 55 . 1 1 13 13 SER HG H 1 8.3620 0 . 1 . . . . 12 SER O . 18294 1 56 . 1 1 13 13 SER C C 13 177.03961 0.3 . 1 . . . . 12 SER C . 18294 1 57 . 1 1 13 13 SER CB C 13 61.4881 0.3 . 1 . . . . 12 SER CB . 18294 1 58 . 1 1 13 13 SER N N 15 112.4446 0.5 . 1 . . . . 12 SER N . 18294 1 59 . 1 1 14 14 PHE H H 1 6.9717 0.03 . 1 . . . . 13 PHE HN . 18294 1 60 . 1 1 14 14 PHE C C 13 176.6211 0.3 . 1 . . . . 13 PHE C . 18294 1 61 . 1 1 14 14 PHE CA C 13 60.0278 0.3 . 1 . . . . 13 PHE CA . 18294 1 62 . 1 1 14 14 PHE CB C 13 39.1830 0.3 . 1 . . . . 13 PHE CB . 18294 1 63 . 1 1 14 14 PHE N N 15 122.9709 0.5 . 1 . . . . 13 PHE N . 18294 1 64 . 1 1 15 15 LEU H H 1 7.6298 0.03 . 1 . . . . 14 LEU HN . 18294 1 65 . 1 1 15 15 LEU C C 13 178.4268 0.3 . 1 . . . . 14 LEU C . 18294 1 66 . 1 1 15 15 LEU CA C 13 58.2615 0.3 . 1 . . . . 14 LEU CA . 18294 1 67 . 1 1 15 15 LEU CB C 13 41.6440 0.3 . 1 . . . . 14 LEU CB . 18294 1 68 . 1 1 15 15 LEU N N 15 121.3482 0.5 . 1 . . . . 14 LEU N . 18294 1 69 . 1 1 16 16 LEU H H 1 8.4141 0.03 . 1 . . . . 15 LEU HN . 18294 1 70 . 1 1 16 16 LEU C C 13 179.7826 0.3 . 1 . . . . 15 LEU C . 18294 1 71 . 1 1 16 16 LEU CA C 13 58.1251 0.3 . 1 . . . . 15 LEU CA . 18294 1 72 . 1 1 16 16 LEU CB C 13 41.0330 0.3 . 1 . . . . 15 LEU CB . 18294 1 73 . 1 1 16 16 LEU N N 15 117.0605 0.5 . 1 . . . . 15 LEU N . 18294 1 74 . 1 1 17 17 LYS H H 1 7.4540 0.03 . 1 . . . . 16 LYS HN . 18294 1 75 . 1 1 17 17 LYS C C 13 179.0435 0.3 . 1 . . . . 16 LYS C . 18294 1 76 . 1 1 17 17 LYS CA C 13 59.2004 0.3 . 1 . . . . 16 LYS CA . 18294 1 77 . 1 1 17 17 LYS CB C 13 31.7033 0.3 . 1 . . . . 16 LYS CB . 18294 1 78 . 1 1 17 17 LYS N N 15 120.7429 0.5 . 1 . . . . 16 LYS N . 18294 1 79 . 1 1 18 18 CYS H H 1 8.0495 0.03 . 1 . . . . 17 CYS HN . 18294 1 80 . 1 1 18 18 CYS C C 13 176.6019 0.3 . 1 . . . . 17 CYS C . 18294 1 81 . 1 1 18 18 CYS CA C 13 64.0379 0.3 . 1 . . . . 17 CYS CA . 18294 1 82 . 1 1 18 18 CYS CB C 13 27.7827 0.3 . 1 . . . . 17 CYS CB . 18294 1 83 . 1 1 18 18 CYS N N 15 116.5474 0.5 . 1 . . . . 17 CYS N . 18294 1 84 . 1 1 19 19 LEU H H 1 8.0779 0.03 . 1 . . . . 18 LEU HN . 18294 1 85 . 1 1 19 19 LEU C C 13 178.9886 0.3 . 1 . . . . 18 LEU C . 18294 1 86 . 1 1 19 19 LEU CA C 13 58.6274 0.3 . 1 . . . . 18 LEU CA . 18294 1 87 . 1 1 19 19 LEU CB C 13 40.6662 0.3 . 1 . . . . 18 LEU CB . 18294 1 88 . 1 1 19 19 LEU N N 15 118.7379 0.5 . 1 . . . . 18 LEU N . 18294 1 89 . 1 1 20 20 GLU H H 1 7.5624 0.03 . 1 . . . . 19 GLU HN . 18294 1 90 . 1 1 20 20 GLU C C 13 179.2660 0.3 . 1 . . . . 19 GLU C . 18294 1 91 . 1 1 20 20 GLU CA C 13 58.8783 0.3 . 1 . . . . 19 GLU CA . 18294 1 92 . 1 1 20 20 GLU CB C 13 28.2773 0.3 . 1 . . . . 19 GLU CB . 18294 1 93 . 1 1 20 20 GLU N N 15 118.3220 0.5 . 1 . . . . 19 GLU N . 18294 1 94 . 1 1 21 21 GLN H H 1 8.1016 0.03 . 1 . . . . 20 GLN HN . 18294 1 95 . 1 1 21 21 GLN C C 13 178.7305 0.3 . 1 . . . . 20 GLN C . 18294 1 96 . 1 1 21 21 GLN CA C 13 59.3143 0.3 . 1 . . . . 20 GLN CA . 18294 1 97 . 1 1 21 21 GLN CB C 13 27.6971 0.3 . 1 . . . . 20 GLN CB . 18294 1 98 . 1 1 21 21 GLN N N 15 120.8029 0.5 . 1 . . . . 20 GLN N . 18294 1 99 . 1 1 22 22 VAL H H 1 8.3959 0.03 . 1 . . . . 21 VAL HN . 18294 1 100 . 1 1 22 22 VAL C C 13 177.4047 0.3 . 1 . . . . 21 VAL C . 18294 1 101 . 1 1 22 22 VAL CA C 13 67.4501 0.3 . 1 . . . . 21 VAL CA . 18294 1 102 . 1 1 22 22 VAL CB C 13 31.1640 0.3 . 1 . . . . 21 VAL CB . 18294 1 103 . 1 1 22 22 VAL N N 15 119.9492 0.5 . 1 . . . . 21 VAL N . 18294 1 104 . 1 1 23 23 ARG H H 1 7.5518 0.03 . 1 . . . . 22 ARG HN . 18294 1 105 . 1 1 23 23 ARG C C 13 179.7096 0.3 . 1 . . . . 22 ARG C . 18294 1 106 . 1 1 23 23 ARG CA C 13 58.7570 0.3 . 1 . . . . 22 ARG CA . 18294 1 107 . 1 1 23 23 ARG CB C 13 29.8567 0.3 . 1 . . . . 22 ARG CB . 18294 1 108 . 1 1 23 23 ARG N N 15 117.7908 0.5 . 1 . . . . 22 ARG N . 18294 1 109 . 1 1 24 24 LYS H H 1 7.8121 0.03 . 1 . . . . 23 LYS HN . 18294 1 110 . 1 1 24 24 LYS C C 13 178.9325 0.3 . 1 . . . . 23 LYS C . 18294 1 111 . 1 1 24 24 LYS CA C 13 59.2348 0.3 . 1 . . . . 23 LYS CA . 18294 1 112 . 1 1 24 24 LYS CB C 13 32.5563 0.3 . 1 . . . . 23 LYS CB . 18294 1 113 . 1 1 24 24 LYS N N 15 121.5536 0.5 . 1 . . . . 23 LYS N . 18294 1 114 . 1 1 25 25 ILE H H 1 8.1030 0.03 . 1 . . . . 24 ILE HN . 18294 1 115 . 1 1 25 25 ILE C C 13 177.1135 0.3 . 1 . . . . 24 ILE C . 18294 1 116 . 1 1 25 25 ILE CA C 13 64.9276 0.3 . 1 . . . . 24 ILE CA . 18294 1 117 . 1 1 25 25 ILE CB C 13 37.3508 0.3 . 1 . . . . 24 ILE CB . 18294 1 118 . 1 1 25 25 ILE N N 15 119.5430 0.5 . 1 . . . . 24 ILE N . 18294 1 119 . 1 1 26 26 GLN H H 1 8.7778 0.03 . 1 . . . . 25 GLN HN . 18294 1 120 . 1 1 26 26 GLN C C 13 180.0921 0.3 . 1 . . . . 25 GLN C . 18294 1 121 . 1 1 26 26 GLN CA C 13 59.3192 0.3 . 1 . . . . 25 GLN CA . 18294 1 122 . 1 1 26 26 GLN CB C 13 28.6292 0.3 . 1 . . . . 25 GLN CB . 18294 1 123 . 1 1 26 26 GLN N N 15 121.4928 0.5 . 1 . . . . 25 GLN N . 18294 1 124 . 1 1 27 27 GLY H H 1 8.0102 0.03 . 1 . . . . 26 GLY HN . 18294 1 125 . 1 1 27 27 GLY C C 13 176.9980 0.3 . 1 . . . . 26 GLY C . 18294 1 126 . 1 1 27 27 GLY CA C 13 47.1052 0.3 . 1 . . . . 26 GLY CA . 18294 1 127 . 1 1 27 27 GLY N N 15 107.4391 0.5 . 1 . . . . 26 GLY N . 18294 1 128 . 1 1 28 28 ASP H H 1 8.3375 0.03 . 1 . . . . 27 ASP HN . 18294 1 129 . 1 1 28 28 ASP C C 13 179.6808 0.3 . 1 . . . . 27 ASP C . 18294 1 130 . 1 1 28 28 ASP CA C 13 55.7311 0.3 . 1 . . . . 27 ASP CA . 18294 1 131 . 1 1 28 28 ASP CB C 13 39.2623 0.3 . 1 . . . . 27 ASP CB . 18294 1 132 . 1 1 28 28 ASP N N 15 123.8238 0.5 . 1 . . . . 27 ASP N . 18294 1 133 . 1 1 29 29 GLY H H 1 9.2194 0.03 . 1 . . . . 28 GLY HN . 18294 1 134 . 1 1 29 29 GLY C C 13 174.9250 0.3 . 1 . . . . 28 GLY C . 18294 1 135 . 1 1 29 29 GLY CA C 13 46.7775 0.3 . 1 . . . . 28 GLY CA . 18294 1 136 . 1 1 29 29 GLY N N 15 109.1960 0.5 . 1 . . . . 28 GLY N . 18294 1 137 . 1 1 30 30 ALA H H 1 8.2404 0.03 . 1 . . . . 29 ALA HN . 18294 1 138 . 1 1 30 30 ALA C C 13 181.0374 0.3 . 1 . . . . 29 ALA C . 18294 1 139 . 1 1 30 30 ALA CA C 13 54.8329 0.3 . 1 . . . . 29 ALA CA . 18294 1 140 . 1 1 30 30 ALA CB C 13 17.5246 0.3 . 1 . . . . 29 ALA CB . 18294 1 141 . 1 1 30 30 ALA N N 15 125.3684 0.5 . 1 . . . . 29 ALA N . 18294 1 142 . 1 1 31 31 GLY H H 1 7.9987 0.03 . 1 . . . . 30 GLY HN . 18294 1 143 . 1 1 31 31 GLY CA C 13 46.9889 0.3 . 1 . . . . 30 GLY CA . 18294 1 144 . 1 1 31 31 GLY N N 15 106.3961 0.5 . 1 . . . . 30 GLY N . 18294 1 145 . 1 1 32 32 LEU C C 13 177.8817 0.3 . 1 . . . . 31 LEU C . 18294 1 146 . 1 1 32 32 LEU CA C 13 58.2208 0.3 . 1 . . . . 31 LEU CA . 18294 1 147 . 1 1 32 32 LEU CB C 13 41.1772 0.3 . 1 . . . . 31 LEU CB . 18294 1 148 . 1 1 33 33 GLN H H 1 8.3542 0.03 . 1 . . . . 32 GLN HN . 18294 1 149 . 1 1 33 33 GLN C C 13 179.1120 0.3 . 1 . . . . 32 GLN C . 18294 1 150 . 1 1 33 33 GLN CA C 13 60.2408 0.3 . 1 . . . . 32 GLN CA . 18294 1 151 . 1 1 33 33 GLN CB C 13 29.3099 0.3 . 1 . . . . 32 GLN CB . 18294 1 152 . 1 1 33 33 GLN N N 15 117.6561 0.5 . 1 . . . . 32 GLN N . 18294 1 153 . 1 1 34 34 GLU H H 1 8.4977 0.03 . 1 . . . . 33 GLU HN . 18294 1 154 . 1 1 34 34 GLU C C 13 178.9229 0.3 . 1 . . . . 33 GLU C . 18294 1 155 . 1 1 34 34 GLU CA C 13 59.3090 0.3 . 1 . . . . 33 GLU CA . 18294 1 156 . 1 1 34 34 GLU CB C 13 27.7404 0.3 . 1 . . . . 33 GLU CB . 18294 1 157 . 1 1 34 34 GLU N N 15 120.4015 0.5 . 1 . . . . 33 GLU N . 18294 1 158 . 1 1 35 35 LYS H H 1 8.0142 0.03 . 1 . . . . 34 LYS HN . 18294 1 159 . 1 1 35 35 LYS C C 13 180.1436 0.3 . 1 . . . . 34 LYS C . 18294 1 160 . 1 1 35 35 LYS CA C 13 59.3835 0.3 . 1 . . . . 34 LYS CA . 18294 1 161 . 1 1 35 35 LYS CB C 13 32.8292 0.3 . 1 . . . . 34 LYS CB . 18294 1 162 . 1 1 35 35 LYS N N 15 120.5869 0.5 . 1 . . . . 34 LYS N . 18294 1 163 . 1 1 36 36 LEU H H 1 8.5105 0.03 . 1 . . . . 35 LEU HN . 18294 1 164 . 1 1 36 36 LEU C C 13 178.9942 0.3 . 1 . . . . 35 LEU C . 18294 1 165 . 1 1 36 36 LEU CA C 13 58.8604 0.3 . 1 . . . . 35 LEU CA . 18294 1 166 . 1 1 36 36 LEU CB C 13 41.6774 0.3 . 1 . . . . 35 LEU CB . 18294 1 167 . 1 1 36 36 LEU N N 15 121.3903 0.5 . 1 . . . . 35 LEU N . 18294 1 168 . 1 1 37 37 CYS H H 1 7.8515 0.03 . 1 . . . . 36 CYS HN . 18294 1 169 . 1 1 37 37 CYS C C 13 176.9050 0.3 . 1 . . . . 36 CYS C . 18294 1 170 . 1 1 37 37 CYS CA C 13 57.0142 0.3 . 1 . . . . 36 CYS CA . 18294 1 171 . 1 1 37 37 CYS CB C 13 37.8786 0.3 . 1 . . . . 36 CYS CB . 18294 1 172 . 1 1 37 37 CYS N N 15 117.9865 0.5 . 1 . . . . 36 CYS N . 18294 1 173 . 1 1 38 38 ALA H H 1 8.7507 0.03 . 1 . . . . 37 ALA HN . 18294 1 174 . 1 1 38 38 ALA C C 13 179.3788 0.3 . 1 . . . . 37 ALA C . 18294 1 175 . 1 1 38 38 ALA CA C 13 55.4455 0.3 . 1 . . . . 37 ALA CA . 18294 1 176 . 1 1 38 38 ALA CB C 13 18.7620 0.3 . 1 . . . . 37 ALA CB . 18294 1 177 . 1 1 38 38 ALA N N 15 123.4226 0.5 . 1 . . . . 37 ALA N . 18294 1 178 . 1 1 39 39 THR H H 1 8.1854 0.03 . 1 . . . . 38 THR HN . 18294 1 179 . 1 1 39 39 THR C C 13 175.2562 0.3 . 1 . . . . 38 THR C . 18294 1 180 . 1 1 39 39 THR CA C 13 65.5478 0.3 . 1 . . . . 38 THR CA . 18294 1 181 . 1 1 39 39 THR CB C 13 69.3159 0.3 . 1 . . . . 38 THR CB . 18294 1 182 . 1 1 39 39 THR N N 15 110.2856 0.5 . 1 . . . . 38 THR N . 18294 1 183 . 1 1 40 40 TYR H H 1 7.0211 0.03 . 1 . . . . 39 TYR HN . 18294 1 184 . 1 1 40 40 TYR C C 13 174.5404 0.3 . 1 . . . . 39 TYR C . 18294 1 185 . 1 1 40 40 TYR CA C 13 56.9140 0.3 . 1 . . . . 39 TYR CA . 18294 1 186 . 1 1 40 40 TYR CB C 13 39.3227 0.3 . 1 . . . . 39 TYR CB . 18294 1 187 . 1 1 40 40 TYR N N 15 115.5305 0.5 . 1 . . . . 39 TYR N . 18294 1 188 . 1 1 41 41 LYS H H 1 7.5922 0.03 . 1 . . . . 40 LYS HN . 18294 1 189 . 1 1 41 41 LYS C C 13 176.0563 0.3 . 1 . . . . 40 LYS C . 18294 1 190 . 1 1 41 41 LYS CA C 13 57.5579 0.3 . 1 . . . . 40 LYS CA . 18294 1 191 . 1 1 41 41 LYS CB C 13 28.3457 0.3 . 1 . . . . 40 LYS CB . 18294 1 192 . 1 1 41 41 LYS N N 15 114.2733 0.5 . 1 . . . . 40 LYS N . 18294 1 193 . 1 1 42 42 LEU H H 1 6.9337 0.03 . 1 . . . . 41 LEU HN . 18294 1 194 . 1 1 42 42 LEU C C 13 175.2863 0.3 . 1 . . . . 41 LEU C . 18294 1 195 . 1 1 42 42 LEU CA C 13 53.3567 0.3 . 1 . . . . 41 LEU CA . 18294 1 196 . 1 1 42 42 LEU CB C 13 41.8672 0.3 . 1 . . . . 41 LEU CB . 18294 1 197 . 1 1 42 42 LEU N N 15 121.3635 0.5 . 1 . . . . 41 LEU N . 18294 1 198 . 1 1 43 43 CYS H H 1 8.0073 0.03 . 1 . . . . 42 CYS HN . 18294 1 199 . 1 1 43 43 CYS CA C 13 57.0050 0.3 . 1 . . . . 42 CYS CA . 18294 1 200 . 1 1 43 43 CYS CB C 13 42.3294 0.3 . 1 . . . . 42 CYS CB . 18294 1 201 . 1 1 43 43 CYS N N 15 118.3955 0.5 . 1 . . . . 42 CYS N . 18294 1 202 . 1 1 45 45 PRO C C 13 177.6680 0.3 . 1 . . . . 44 PRO C . 18294 1 203 . 1 1 45 45 PRO CA C 13 62.6833 0.3 . 1 . . . . 44 PRO CA . 18294 1 204 . 1 1 45 45 PRO CB C 13 31.1937 0.3 . 1 . . . . 44 PRO CB . 18294 1 205 . 1 1 46 46 GLU H H 1 8.0726 0.03 . 1 . . . . 45 GLU HN . 18294 1 206 . 1 1 46 46 GLU C C 13 177.9919 0.3 . 1 . . . . 45 GLU C . 18294 1 207 . 1 1 46 46 GLU CA C 13 59.1561 0.3 . 1 . . . . 45 GLU CA . 18294 1 208 . 1 1 46 46 GLU CB C 13 27.6125 0.3 . 1 . . . . 45 GLU CB . 18294 1 209 . 1 1 46 46 GLU N N 15 120.9150 0.5 . 1 . . . . 45 GLU N . 18294 1 210 . 1 1 47 47 GLU H H 1 7.5708 0.03 . 1 . . . . 46 GLU HN . 18294 1 211 . 1 1 47 47 GLU C C 13 177.1515 0.3 . 1 . . . . 46 GLU C . 18294 1 212 . 1 1 47 47 GLU CA C 13 56.9465 0.3 . 1 . . . . 46 GLU CA . 18294 1 213 . 1 1 47 47 GLU CB C 13 29.4716 0.3 . 1 . . . . 46 GLU CB . 18294 1 214 . 1 1 47 47 GLU N N 15 117.2755 0.5 . 1 . . . . 46 GLU N . 18294 1 215 . 1 1 48 48 LEU H H 1 7.6324 0.03 . 1 . . . . 47 LEU HN . 18294 1 216 . 1 1 48 48 LEU C C 13 176.5568 0.3 . 1 . . . . 47 LEU C . 18294 1 217 . 1 1 48 48 LEU CA C 13 53.9461 0.3 . 1 . . . . 47 LEU CA . 18294 1 218 . 1 1 48 48 LEU CB C 13 42.3518 0.3 . 1 . . . . 47 LEU CB . 18294 1 219 . 1 1 48 48 LEU N N 15 118.2489 0.5 . 1 . . . . 47 LEU N . 18294 1 220 . 1 1 49 49 VAL H H 1 7.0802 0.03 . 1 . . . . 48 VAL HN . 18294 1 221 . 1 1 49 49 VAL C C 13 178.3008 0.3 . 1 . . . . 48 VAL C . 18294 1 222 . 1 1 49 49 VAL CA C 13 65.7277 0.3 . 1 . . . . 48 VAL CA . 18294 1 223 . 1 1 49 49 VAL CB C 13 31.8281 0.3 . 1 . . . . 48 VAL CB . 18294 1 224 . 1 1 49 49 VAL N N 15 119.4072 0.5 . 1 . . . . 48 VAL N . 18294 1 225 . 1 1 50 50 LEU H H 1 8.5036 0.03 . 1 . . . . 49 LEU HN . 18294 1 226 . 1 1 50 50 LEU C C 13 179.6644 0.3 . 1 . . . . 49 LEU C . 18294 1 227 . 1 1 50 50 LEU CA C 13 58.1167 0.3 . 1 . . . . 49 LEU CA . 18294 1 228 . 1 1 50 50 LEU CB C 13 40.5546 0.3 . 1 . . . . 49 LEU CB . 18294 1 229 . 1 1 50 50 LEU N N 15 121.8424 0.5 . 1 . . . . 49 LEU N . 18294 1 230 . 1 1 51 51 LEU H H 1 7.9280 0.03 . 1 . . . . 50 LEU HN . 18294 1 231 . 1 1 51 51 LEU C C 13 179.3600 0.3 . 1 . . . . 50 LEU C . 18294 1 232 . 1 1 51 51 LEU CA C 13 57.3989 0.3 . 1 . . . . 50 LEU CA . 18294 1 233 . 1 1 51 51 LEU CB C 13 40.8913 0.3 . 1 . . . . 50 LEU CB . 18294 1 234 . 1 1 51 51 LEU N N 15 122.3113 0.5 . 1 . . . . 50 LEU N . 18294 1 235 . 1 1 52 52 GLY H H 1 8.2449 0.03 . 1 . . . . 51 GLY HN . 18294 1 236 . 1 1 52 52 GLY C C 13 175.9273 0.3 . 1 . . . . 51 GLY C . 18294 1 237 . 1 1 52 52 GLY CA C 13 47.9709 0.3 . 1 . . . . 51 GLY CA . 18294 1 238 . 1 1 52 52 GLY N N 15 105.2820 0.5 . 1 . . . . 51 GLY N . 18294 1 239 . 1 1 53 53 HIS H H 1 7.9592 0.03 . 1 . . . . 52 HIS HN . 18294 1 240 . 1 1 53 53 HIS C C 13 177.2854 0.3 . 1 . . . . 52 HIS C . 18294 1 241 . 1 1 53 53 HIS CA C 13 57.9244 0.3 . 1 . . . . 52 HIS CA . 18294 1 242 . 1 1 53 53 HIS CB C 13 28.1678 0.3 . 1 . . . . 52 HIS CB . 18294 1 243 . 1 1 53 53 HIS N N 15 118.5331 0.5 . 1 . . . . 52 HIS N . 18294 1 244 . 1 1 54 54 SER H H 1 8.5149 0.03 . 1 . . . . 53 SER HN . 18294 1 245 . 1 1 54 54 SER C C 13 175.8866 0.3 . 1 . . . . 53 SER C . 18294 1 246 . 1 1 54 54 SER CA C 13 61.0879 0.3 . 1 . . . . 53 SER CA . 18294 1 247 . 1 1 54 54 SER CB C 13 62.8658 0.3 . 1 . . . . 53 SER CB . 18294 1 248 . 1 1 54 54 SER N N 15 117.3123 0.5 . 1 . . . . 53 SER N . 18294 1 249 . 1 1 55 55 LEU H H 1 8.0233 0.03 . 1 . . . . 54 LEU HN . 18294 1 250 . 1 1 55 55 LEU C C 13 177.3756 0.3 . 1 . . . . 54 LEU C . 18294 1 251 . 1 1 55 55 LEU CA C 13 55.3312 0.3 . 1 . . . . 54 LEU CA . 18294 1 252 . 1 1 55 55 LEU CB C 13 42.8931 0.3 . 1 . . . . 54 LEU CB . 18294 1 253 . 1 1 55 55 LEU N N 15 119.4696 0.5 . 1 . . . . 54 LEU N . 18294 1 254 . 1 1 56 56 GLY H H 1 7.5181 0.03 . 1 . . . . 55 GLY HN . 18294 1 255 . 1 1 56 56 GLY C C 13 174.6269 0.3 . 1 . . . . 55 GLY C . 18294 1 256 . 1 1 56 56 GLY CA C 13 46.4158 0.3 . 1 . . . . 55 GLY CA . 18294 1 257 . 1 1 56 56 GLY N N 15 107.0567 0.5 . 1 . . . . 55 GLY N . 18294 1 258 . 1 1 57 57 ILE H H 1 7.3176 0.03 . 1 . . . . 56 ILE HN . 18294 1 259 . 1 1 57 57 ILE CA C 13 59.3256 0.3 . 1 . . . . 56 ILE CA . 18294 1 260 . 1 1 57 57 ILE CB C 13 38.2728 0.3 . 1 . . . . 56 ILE CB . 18294 1 261 . 1 1 57 57 ILE N N 15 119.3812 0.5 . 1 . . . . 56 ILE N . 18294 1 262 . 1 1 58 58 PRO C C 13 174.2752 0.3 . 1 . . . . 57 PRO C . 18294 1 263 . 1 1 58 58 PRO CA C 13 61.5638 0.3 . 1 . . . . 57 PRO CA . 18294 1 264 . 1 1 58 58 PRO CB C 13 31.1254 0.3 . 1 . . . . 57 PRO CB . 18294 1 265 . 1 1 59 59 TRP H H 1 7.7439 0.03 . 1 . . . . 58 TRP HN . 18294 1 266 . 1 1 59 59 TRP C C 13 176.2663 0.3 . 1 . . . . 58 TRP C . 18294 1 267 . 1 1 59 59 TRP CA C 13 54.9185 0.3 . 1 . . . . 58 TRP CA . 18294 1 268 . 1 1 59 59 TRP CB C 13 30.2843 0.3 . 1 . . . . 58 TRP CB . 18294 1 269 . 1 1 59 59 TRP N N 15 119.9497 0.5 . 1 . . . . 58 TRP N . 18294 1 270 . 1 1 60 60 ALA H H 1 7.2020 0.03 . 1 . . . . 59 ALA HN . 18294 1 271 . 1 1 60 60 ALA CA C 13 50.0452 0.3 . 1 . . . . 59 ALA CA . 18294 1 272 . 1 1 60 60 ALA CB C 13 20.0714 0.3 . 1 . . . . 59 ALA CB . 18294 1 273 . 1 1 60 60 ALA N N 15 126.2413 0.5 . 1 . . . . 59 ALA N . 18294 1 274 . 1 1 61 61 PRO C C 13 176.2464 0.3 . 1 . . . . 60 PRO C . 18294 1 275 . 1 1 61 61 PRO CA C 13 62.2071 0.3 . 1 . . . . 60 PRO CA . 18294 1 276 . 1 1 61 61 PRO CB C 13 33.4165 0.3 . 1 . . . . 60 PRO CB . 18294 1 277 . 1 1 62 62 LEU H H 1 8.5267 0.03 . 1 . . . . 61 LEU HN . 18294 1 278 . 1 1 62 62 LEU C C 13 178.0496 0.3 . 1 . . . . 61 LEU C . 18294 1 279 . 1 1 62 62 LEU CA C 13 54.3736 0.3 . 1 . . . . 61 LEU CA . 18294 1 280 . 1 1 62 62 LEU CB C 13 42.4812 0.3 . 1 . . . . 61 LEU CB . 18294 1 281 . 1 1 62 62 LEU N N 15 120.5375 0.5 . 1 . . . . 61 LEU N . 18294 1 282 . 1 1 63 63 SER H H 1 7.4186 0.03 . 1 . . . . 62 SER HN . 18294 1 283 . 1 1 63 63 SER C C 13 176.0045 0.3 . 1 . . . . 62 SER C . 18294 1 284 . 1 1 63 63 SER CA C 13 59.3711 0.3 . 1 . . . . 62 SER CA . 18294 1 285 . 1 1 63 63 SER CB C 13 63.4233 0.3 . 1 . . . . 62 SER CB . 18294 1 286 . 1 1 63 63 SER N N 15 116.1282 0.5 . 1 . . . . 62 SER N . 18294 1 287 . 1 1 64 64 SER H H 1 9.7693 0.03 . 1 . . . . 63 SER HN . 18294 1 288 . 1 1 64 64 SER C C 13 173.0749 0.3 . 1 . . . . 63 SER C . 18294 1 289 . 1 1 64 64 SER CA C 13 58.6895 0.3 . 1 . . . . 63 SER CA . 18294 1 290 . 1 1 64 64 SER CB C 13 62.8577 0.3 . 1 . . . . 63 SER CB . 18294 1 291 . 1 1 64 64 SER N N 15 118.5343 0.5 . 1 . . . . 63 SER N . 18294 1 292 . 1 1 65 65 CYS H H 1 7.8915 0.03 . 1 . . . . 64 CYS HN . 18294 1 293 . 1 1 65 65 CYS CA C 13 53.3823 0.3 . 1 . . . . 64 CYS CA . 18294 1 294 . 1 1 65 65 CYS CB C 13 43.3888 0.3 . 1 . . . . 64 CYS CB . 18294 1 295 . 1 1 65 65 CYS N N 15 118.0496 0.5 . 1 . . . . 64 CYS N . 18294 1 296 . 1 1 66 66 PRO C C 13 175.9868 0.3 . 1 . . . . 65 PRO C . 18294 1 297 . 1 1 66 66 PRO CA C 13 63.4606 0.3 . 1 . . . . 65 PRO CA . 18294 1 298 . 1 1 66 66 PRO CB C 13 32.2719 0.3 . 1 . . . . 65 PRO CB . 18294 1 299 . 1 1 67 67 SER H H 1 8.2828 0.03 . 1 . . . . 66 SER HN . 18294 1 300 . 1 1 67 67 SER C C 13 174.6006 0.3 . 1 . . . . 66 SER C . 18294 1 301 . 1 1 67 67 SER CA C 13 60.3506 0.3 . 1 . . . . 66 SER CA . 18294 1 302 . 1 1 67 67 SER CB C 13 63.0289 0.3 . 1 . . . . 66 SER CB . 18294 1 303 . 1 1 67 67 SER N N 15 113.0404 0.5 . 1 . . . . 66 SER N . 18294 1 304 . 1 1 68 68 GLN H H 1 7.7590 0.03 . 1 . . . . 67 GLN HN . 18294 1 305 . 1 1 68 68 GLN C C 13 174.5786 0.3 . 1 . . . . 67 GLN C . 18294 1 306 . 1 1 68 68 GLN CA C 13 55.2412 0.3 . 1 . . . . 67 GLN CA . 18294 1 307 . 1 1 68 68 GLN CB C 13 29.6621 0.3 . 1 . . . . 67 GLN CB . 18294 1 308 . 1 1 68 68 GLN N N 15 117.9068 0.5 . 1 . . . . 67 GLN N . 18294 1 309 . 1 1 69 69 ALA H H 1 8.3311 0.03 . 1 . . . . 68 ALA HN . 18294 1 310 . 1 1 69 69 ALA C C 13 176.1315 0.3 . 1 . . . . 68 ALA C . 18294 1 311 . 1 1 69 69 ALA CA C 13 52.4234 0.3 . 1 . . . . 68 ALA CA . 18294 1 312 . 1 1 69 69 ALA CB C 13 17.4241 0.3 . 1 . . . . 68 ALA CB . 18294 1 313 . 1 1 69 69 ALA N N 15 123.4205 0.5 . 1 . . . . 68 ALA N . 18294 1 314 . 1 1 70 70 LEU H H 1 7.7299 0.03 . 1 . . . . 69 LEU HN . 18294 1 315 . 1 1 70 70 LEU C C 13 176.7451 0.3 . 1 . . . . 69 LEU C . 18294 1 316 . 1 1 70 70 LEU CA C 13 56.5520 0.3 . 1 . . . . 69 LEU CA . 18294 1 317 . 1 1 70 70 LEU CB C 13 42.0888 0.3 . 1 . . . . 69 LEU CB . 18294 1 318 . 1 1 70 70 LEU N N 15 120.6112 0.5 . 1 . . . . 69 LEU N . 18294 1 319 . 1 1 71 71 GLN H H 1 8.7486 0.03 . 1 . . . . 70 GLN HN . 18294 1 320 . 1 1 71 71 GLN C C 13 175.9443 0.3 . 1 . . . . 70 GLN C . 18294 1 321 . 1 1 71 71 GLN CA C 13 54.3596 0.3 . 1 . . . . 70 GLN CA . 18294 1 322 . 1 1 71 71 GLN CB C 13 28.5955 0.3 . 1 . . . . 70 GLN CB . 18294 1 323 . 1 1 71 71 GLN N N 15 125.7918 0.5 . 1 . . . . 70 GLN N . 18294 1 324 . 1 1 72 72 LEU H H 1 8.6113 0.03 . 1 . . . . 71 LEU HN . 18294 1 325 . 1 1 72 72 LEU C C 13 177.7334 0.3 . 1 . . . . 71 LEU C . 18294 1 326 . 1 1 72 72 LEU CA C 13 59.1442 0.3 . 1 . . . . 71 LEU CA . 18294 1 327 . 1 1 72 72 LEU CB C 13 42.0796 0.3 . 1 . . . . 71 LEU CB . 18294 1 328 . 1 1 72 72 LEU N N 15 126.2045 0.5 . 1 . . . . 71 LEU N . 18294 1 329 . 1 1 73 73 ALA H H 1 8.8352 0.03 . 1 . . . . 72 ALA HN . 18294 1 330 . 1 1 73 73 ALA C C 13 180.6298 0.3 . 1 . . . . 72 ALA C . 18294 1 331 . 1 1 73 73 ALA CA C 13 56.1638 0.3 . 1 . . . . 72 ALA CA . 18294 1 332 . 1 1 73 73 ALA CB C 13 17.6752 0.3 . 1 . . . . 72 ALA CB . 18294 1 333 . 1 1 73 73 ALA N N 15 120.0150 0.5 . 1 . . . . 72 ALA N . 18294 1 334 . 1 1 74 74 GLY H H 1 7.8077 0.03 . 1 . . . . 73 GLY HN . 18294 1 335 . 1 1 74 74 GLY C C 13 176.0084 0.3 . 1 . . . . 73 GLY C . 18294 1 336 . 1 1 74 74 GLY CA C 13 46.9195 0.3 . 1 . . . . 73 GLY CA . 18294 1 337 . 1 1 74 74 GLY N N 15 105.8546 0.5 . 1 . . . . 73 GLY N . 18294 1 338 . 1 1 75 75 CYS H H 1 8.1721 0.03 . 1 . . . . 74 CYS HN . 18294 1 339 . 1 1 75 75 CYS C C 13 176.0413 0.3 . 1 . . . . 74 CYS C . 18294 1 340 . 1 1 75 75 CYS CA C 13 58.5441 0.3 . 1 . . . . 74 CYS CA . 18294 1 341 . 1 1 75 75 CYS CB C 13 38.7995 0.3 . 1 . . . . 74 CYS CB . 18294 1 342 . 1 1 75 75 CYS N N 15 120.2175 0.5 . 1 . . . . 74 CYS N . 18294 1 343 . 1 1 76 76 LEU H H 1 8.7211 0.03 . 1 . . . . 75 LEU HN . 18294 1 344 . 1 1 76 76 LEU C C 13 178.7840 0.3 . 1 . . . . 75 LEU C . 18294 1 345 . 1 1 76 76 LEU CA C 13 58.5558 0.3 . 1 . . . . 75 LEU CA . 18294 1 346 . 1 1 76 76 LEU CB C 13 40.5164 0.3 . 1 . . . . 75 LEU CB . 18294 1 347 . 1 1 76 76 LEU N N 15 117.5447 0.5 . 1 . . . . 75 LEU N . 18294 1 348 . 1 1 77 77 SER H H 1 8.0984 0.03 . 1 . . . . 76 SER HN . 18294 1 349 . 1 1 77 77 SER C C 13 174.9136 0.3 . 1 . . . . 76 SER C . 18294 1 350 . 1 1 77 77 SER CA C 13 59.4460 0.3 . 1 . . . . 76 SER CA . 18294 1 351 . 1 1 77 77 SER CB C 13 63.3022 0.3 . 1 . . . . 76 SER CB . 18294 1 352 . 1 1 77 77 SER N N 15 111.9316 0.5 . 1 . . . . 76 SER N . 18294 1 353 . 1 1 78 78 GLN H H 1 8.1176 0.03 . 1 . . . . 77 GLN HN . 18294 1 354 . 1 1 78 78 GLN C C 13 180.3305 0.3 . 1 . . . . 77 GLN C . 18294 1 355 . 1 1 78 78 GLN CA C 13 59.5560 0.3 . 1 . . . . 77 GLN CA . 18294 1 356 . 1 1 78 78 GLN CB C 13 29.0048 0.3 . 1 . . . . 77 GLN CB . 18294 1 357 . 1 1 78 78 GLN N N 15 119.6090 0.5 . 1 . . . . 77 GLN N . 18294 1 358 . 1 1 79 79 LEU H H 1 8.9478 0.03 . 1 . . . . 78 LEU HN . 18294 1 359 . 1 1 79 79 LEU C C 13 178.4094 0.3 . 1 . . . . 78 LEU C . 18294 1 360 . 1 1 79 79 LEU CA C 13 58.8647 0.3 . 1 . . . . 78 LEU CA . 18294 1 361 . 1 1 79 79 LEU CB C 13 42.2017 0.3 . 1 . . . . 78 LEU CB . 18294 1 362 . 1 1 79 79 LEU N N 15 124.4974 0.5 . 1 . . . . 78 LEU N . 18294 1 363 . 1 1 80 80 HIS H H 1 8.8779 0.03 . 1 . . . . 79 HIS HN . 18294 1 364 . 1 1 80 80 HIS C C 13 176.3300 0.3 . 1 . . . . 79 HIS C . 18294 1 365 . 1 1 80 80 HIS CA C 13 62.6214 0.3 . 1 . . . . 79 HIS CA . 18294 1 366 . 1 1 80 80 HIS CB C 13 28.5353 0.3 . 1 . . . . 79 HIS CB . 18294 1 367 . 1 1 80 80 HIS N N 15 116.5940 0.5 . 1 . . . . 79 HIS N . 18294 1 368 . 1 1 81 81 SER H H 1 9.0652 0.03 . 1 . . . . 80 SER HN . 18294 1 369 . 1 1 81 81 SER C C 13 177.5974 0.3 . 1 . . . . 80 SER C . 18294 1 370 . 1 1 81 81 SER CB C 13 62.4094 0.3 . 1 . . . . 80 SER CB . 18294 1 371 . 1 1 81 81 SER N N 15 114.7716 0.5 . 1 . . . . 80 SER N . 18294 1 372 . 1 1 82 82 GLY H H 1 8.5686 0.03 . 1 . . . . 81 GLY HN . 18294 1 373 . 1 1 82 82 GLY C C 13 174.6266 0.3 . 1 . . . . 81 GLY C . 18294 1 374 . 1 1 82 82 GLY CA C 13 48.0975 0.3 . 1 . . . . 81 GLY CA . 18294 1 375 . 1 1 82 82 GLY N N 15 111.4136 0.5 . 1 . . . . 81 GLY N . 18294 1 376 . 1 1 83 83 LEU H H 1 8.0566 0.03 . 1 . . . . 82 LEU HN . 18294 1 377 . 1 1 83 83 LEU C C 13 178.2621 0.3 . 1 . . . . 82 LEU C . 18294 1 378 . 1 1 83 83 LEU CA C 13 58.1996 0.3 . 1 . . . . 82 LEU CA . 18294 1 379 . 1 1 83 83 LEU CB C 13 42.2609 0.3 . 1 . . . . 82 LEU CB . 18294 1 380 . 1 1 83 83 LEU N N 15 121.3306 0.5 . 1 . . . . 82 LEU N . 18294 1 381 . 1 1 84 84 PHE H H 1 8.0182 0.03 . 1 . . . . 83 PHE HN . 18294 1 382 . 1 1 84 84 PHE C C 13 178.5393 0.3 . 1 . . . . 83 PHE C . 18294 1 383 . 1 1 84 84 PHE CA C 13 60.3789 0.3 . 1 . . . . 83 PHE CA . 18294 1 384 . 1 1 84 84 PHE CB C 13 38.5689 0.3 . 1 . . . . 83 PHE CB . 18294 1 385 . 1 1 84 84 PHE N N 15 119.3037 0.5 . 1 . . . . 83 PHE N . 18294 1 386 . 1 1 85 85 LEU H H 1 7.8968 0.03 . 1 . . . . 84 LEU HN . 18294 1 387 . 1 1 85 85 LEU C C 13 175.6030 0.3 . 1 . . . . 84 LEU C . 18294 1 388 . 1 1 85 85 LEU CA C 13 58.1200 0.3 . 1 . . . . 84 LEU CA . 18294 1 389 . 1 1 85 85 LEU CB C 13 39.5572 0.3 . 1 . . . . 84 LEU CB . 18294 1 390 . 1 1 85 85 LEU N N 15 122.9877 0.5 . 1 . . . . 84 LEU N . 18294 1 391 . 1 1 86 86 TYR H H 1 7.8888 0.03 . 1 . . . . 85 TYR HN . 18294 1 392 . 1 1 86 86 TYR C C 13 178.2940 0.3 . 1 . . . . 85 TYR C . 18294 1 393 . 1 1 86 86 TYR CA C 13 64.5443 0.3 . 1 . . . . 85 TYR CA . 18294 1 394 . 1 1 86 86 TYR CB C 13 37.5536 0.3 . 1 . . . . 85 TYR CB . 18294 1 395 . 1 1 86 86 TYR N N 15 122.5890 0.5 . 1 . . . . 85 TYR N . 18294 1 396 . 1 1 87 87 GLN H H 1 8.7638 0.03 . 1 . . . . 86 GLN HN . 18294 1 397 . 1 1 87 87 GLN C C 13 178.4599 0.3 . 1 . . . . 86 GLN C . 18294 1 398 . 1 1 87 87 GLN CA C 13 60.3736 0.3 . 1 . . . . 86 GLN CA . 18294 1 399 . 1 1 87 87 GLN CB C 13 28.8352 0.3 . 1 . . . . 86 GLN CB . 18294 1 400 . 1 1 87 87 GLN N N 15 119.7730 0.5 . 1 . . . . 86 GLN N . 18294 1 401 . 1 1 88 88 GLY H H 1 7.5986 0.03 . 1 . . . . 87 GLY HN . 18294 1 402 . 1 1 88 88 GLY CA C 13 47.0953 0.3 . 1 . . . . 87 GLY CA . 18294 1 403 . 1 1 88 88 GLY N N 15 107.1943 0.5 . 1 . . . . 87 GLY N . 18294 1 404 . 1 1 89 89 LEU C C 13 178.0216 0.3 . 1 . . . . 88 LEU C . 18294 1 405 . 1 1 89 89 LEU CA C 13 57.8524 0.3 . 1 . . . . 88 LEU CA . 18294 1 406 . 1 1 89 89 LEU CB C 13 42.9910 0.3 . 1 . . . . 88 LEU CB . 18294 1 407 . 1 1 90 90 LEU H H 1 8.3864 0.03 . 1 . . . . 89 LEU HN . 18294 1 408 . 1 1 90 90 LEU C C 13 180.2736 0.3 . 1 . . . . 89 LEU C . 18294 1 409 . 1 1 90 90 LEU CA C 13 57.6120 0.3 . 1 . . . . 89 LEU CA . 18294 1 410 . 1 1 90 90 LEU CB C 13 41.6560 0.3 . 1 . . . . 89 LEU CB . 18294 1 411 . 1 1 90 90 LEU N N 15 115.4906 0.5 . 1 . . . . 89 LEU N . 18294 1 412 . 1 1 91 91 GLN H H 1 7.9272 0.03 . 1 . . . . 90 GLN HN . 18294 1 413 . 1 1 91 91 GLN C C 13 178.7362 0.3 . 1 . . . . 90 GLN C . 18294 1 414 . 1 1 91 91 GLN CA C 13 58.8122 0.3 . 1 . . . . 90 GLN CA . 18294 1 415 . 1 1 91 91 GLN CB C 13 28.1909 0.3 . 1 . . . . 90 GLN CB . 18294 1 416 . 1 1 91 91 GLN N N 15 119.7239 0.5 . 1 . . . . 90 GLN N . 18294 1 417 . 1 1 92 92 ALA H H 1 7.7984 0.03 . 1 . . . . 91 ALA HN . 18294 1 418 . 1 1 92 92 ALA C C 13 177.7961 0.3 . 1 . . . . 91 ALA C . 18294 1 419 . 1 1 92 92 ALA CA C 13 53.9599 0.3 . 1 . . . . 91 ALA CA . 18294 1 420 . 1 1 92 92 ALA CB C 13 17.7154 0.3 . 1 . . . . 91 ALA CB . 18294 1 421 . 1 1 92 92 ALA N N 15 121.5477 0.5 . 1 . . . . 91 ALA N . 18294 1 422 . 1 1 93 93 LEU H H 1 7.1643 0.03 . 1 . . . . 92 LEU HN . 18294 1 423 . 1 1 93 93 LEU C C 13 176.6362 0.3 . 1 . . . . 92 LEU C . 18294 1 424 . 1 1 93 93 LEU CA C 13 55.7365 0.3 . 1 . . . . 92 LEU CA . 18294 1 425 . 1 1 93 93 LEU CB C 13 41.1150 0.3 . 1 . . . . 92 LEU CB . 18294 1 426 . 1 1 93 93 LEU N N 15 115.8514 0.5 . 1 . . . . 92 LEU N . 18294 1 427 . 1 1 94 94 GLU H H 1 7.8596 0.03 . 1 . . . . 93 GLU HN . 18294 1 428 . 1 1 94 94 GLU C C 13 176.5869 0.3 . 1 . . . . 93 GLU C . 18294 1 429 . 1 1 94 94 GLU CA C 13 56.3015 0.3 . 1 . . . . 93 GLU CA . 18294 1 430 . 1 1 94 94 GLU CB C 13 26.2541 0.3 . 1 . . . . 93 GLU CB . 18294 1 431 . 1 1 94 94 GLU N N 15 114.9012 0.5 . 1 . . . . 93 GLU N . 18294 1 432 . 1 1 95 95 GLY H H 1 9.0558 0.03 . 1 . . . . 94 GLY HN . 18294 1 433 . 1 1 95 95 GLY C C 13 173.5115 0.3 . 1 . . . . 94 GLY C . 18294 1 434 . 1 1 95 95 GLY CA C 13 46.2110 0.3 . 1 . . . . 94 GLY CA . 18294 1 435 . 1 1 95 95 GLY N N 15 107.5280 0.5 . 1 . . . . 94 GLY N . 18294 1 436 . 1 1 96 96 ILE H H 1 7.5322 0.03 . 1 . . . . 95 ILE HN . 18294 1 437 . 1 1 96 96 ILE N N 15 110.1738 0.5 . 1 . . . . 95 ILE N . 18294 1 438 . 1 1 98 98 PRO C C 13 179.0509 0.3 . 1 . . . . 97 PRO C . 18294 1 439 . 1 1 98 98 PRO CA C 13 65.7529 0.3 . 1 . . . . 97 PRO CA . 18294 1 440 . 1 1 98 98 PRO CB C 13 31.7025 0.3 . 1 . . . . 97 PRO CB . 18294 1 441 . 1 1 99 99 GLU H H 1 8.9068 0.03 . 1 . . . . 98 GLU HN . 18294 1 442 . 1 1 99 99 GLU C C 13 177.2159 0.3 . 1 . . . . 98 GLU C . 18294 1 443 . 1 1 99 99 GLU CA C 13 58.7003 0.3 . 1 . . . . 98 GLU CA . 18294 1 444 . 1 1 99 99 GLU CB C 13 28.1446 0.3 . 1 . . . . 98 GLU CB . 18294 1 445 . 1 1 99 99 GLU N N 15 115.2966 0.5 . 1 . . . . 98 GLU N . 18294 1 446 . 1 1 100 100 LEU H H 1 7.7477 0.03 . 1 . . . . 99 LEU HN . 18294 1 447 . 1 1 100 100 LEU C C 13 176.9272 0.3 . 1 . . . . 99 LEU C . 18294 1 448 . 1 1 100 100 LEU CA C 13 54.4533 0.3 . 1 . . . . 99 LEU CA . 18294 1 449 . 1 1 100 100 LEU CB C 13 42.4060 0.3 . 1 . . . . 99 LEU CB . 18294 1 450 . 1 1 100 100 LEU N N 15 121.1937 0.5 . 1 . . . . 99 LEU N . 18294 1 451 . 1 1 101 101 GLY H H 1 7.7881 0.03 . 1 . . . . 100 GLY HN . 18294 1 452 . 1 1 101 101 GLY CA C 13 49.3140 0.3 . 1 . . . . 100 GLY CA . 18294 1 453 . 1 1 101 101 GLY N N 15 108.5132 0.5 . 1 . . . . 100 GLY N . 18294 1 454 . 1 1 102 102 PRO C C 13 179.3302 0.3 . 1 . . . . 101 PRO C . 18294 1 455 . 1 1 102 102 PRO CA C 13 65.7153 0.3 . 1 . . . . 101 PRO CA . 18294 1 456 . 1 1 102 102 PRO CB C 13 31.7354 0.3 . 1 . . . . 101 PRO CB . 18294 1 457 . 1 1 103 103 THR H H 1 7.4750 0.03 . 1 . . . . 102 THR HN . 18294 1 458 . 1 1 103 103 THR C C 13 176.7001 0.3 . 1 . . . . 102 THR C . 18294 1 459 . 1 1 103 103 THR CA C 13 66.7748 0.3 . 1 . . . . 102 THR CA . 18294 1 460 . 1 1 103 103 THR CB C 13 68.2265 0.3 . 1 . . . . 102 THR CB . 18294 1 461 . 1 1 103 103 THR N N 15 114.8130 0.5 . 1 . . . . 102 THR N . 18294 1 462 . 1 1 104 104 LEU H H 1 8.1674 0.03 . 1 . . . . 103 LEU HN . 18294 1 463 . 1 1 104 104 LEU C C 13 178.4254 0.3 . 1 . . . . 103 LEU C . 18294 1 464 . 1 1 104 104 LEU CA C 13 57.3619 0.3 . 1 . . . . 103 LEU CA . 18294 1 465 . 1 1 104 104 LEU CB C 13 40.5650 0.3 . 1 . . . . 103 LEU CB . 18294 1 466 . 1 1 104 104 LEU N N 15 124.9770 0.5 . 1 . . . . 103 LEU N . 18294 1 467 . 1 1 105 105 ASP H H 1 8.9488 0.03 . 1 . . . . 104 ASP HN . 18294 1 468 . 1 1 105 105 ASP C C 13 178.2409 0.3 . 1 . . . . 104 ASP C . 18294 1 469 . 1 1 105 105 ASP CA C 13 56.9680 0.3 . 1 . . . . 104 ASP CA . 18294 1 470 . 1 1 105 105 ASP CB C 13 38.7680 0.3 . 1 . . . . 104 ASP CB . 18294 1 471 . 1 1 105 105 ASP N N 15 120.6560 0.5 . 1 . . . . 104 ASP N . 18294 1 472 . 1 1 106 106 THR H H 1 7.8675 0.03 . 1 . . . . 105 THR HN . 18294 1 473 . 1 1 106 106 THR C C 13 174.6328 0.3 . 1 . . . . 105 THR C . 18294 1 474 . 1 1 106 106 THR CA C 13 66.9434 0.3 . 1 . . . . 105 THR CA . 18294 1 475 . 1 1 106 106 THR CB C 13 69.1039 0.3 . 1 . . . . 105 THR CB . 18294 1 476 . 1 1 106 106 THR N N 15 117.3834 0.5 . 1 . . . . 105 THR N . 18294 1 477 . 1 1 107 107 LEU H H 1 7.4068 0.03 . 1 . . . . 106 LEU HN . 18294 1 478 . 1 1 107 107 LEU C C 13 177.8986 0.3 . 1 . . . . 106 LEU C . 18294 1 479 . 1 1 107 107 LEU CA C 13 58.0466 0.3 . 1 . . . . 106 LEU CA . 18294 1 480 . 1 1 107 107 LEU CB C 13 42.1828 0.3 . 1 . . . . 106 LEU CB . 18294 1 481 . 1 1 107 107 LEU N N 15 121.0483 0.5 . 1 . . . . 106 LEU N . 18294 1 482 . 1 1 108 108 GLN H H 1 8.5818 0.03 . 1 . . . . 107 GLN HN . 18294 1 483 . 1 1 108 108 GLN C C 13 178.3419 0.3 . 1 . . . . 107 GLN C . 18294 1 484 . 1 1 108 108 GLN CA C 13 60.4657 0.3 . 1 . . . . 107 GLN CA . 18294 1 485 . 1 1 108 108 GLN CB C 13 29.3975 0.3 . 1 . . . . 107 GLN CB . 18294 1 486 . 1 1 108 108 GLN N N 15 116.6457 0.5 . 1 . . . . 107 GLN N . 18294 1 487 . 1 1 109 109 LEU H H 1 8.0694 0.03 . 1 . . . . 108 LEU HN . 18294 1 488 . 1 1 109 109 LEU C C 13 179.0224 0.3 . 1 . . . . 108 LEU C . 18294 1 489 . 1 1 109 109 LEU CA C 13 58.0711 0.3 . 1 . . . . 108 LEU CA . 18294 1 490 . 1 1 109 109 LEU CB C 13 41.4986 0.3 . 1 . . . . 108 LEU CB . 18294 1 491 . 1 1 109 109 LEU N N 15 121.4602 0.5 . 1 . . . . 108 LEU N . 18294 1 492 . 1 1 110 110 ASP H H 1 8.4411 0.03 . 1 . . . . 109 ASP HN . 18294 1 493 . 1 1 110 110 ASP C C 13 180.0624 0.3 . 1 . . . . 109 ASP C . 18294 1 494 . 1 1 110 110 ASP CA C 13 56.9049 0.3 . 1 . . . . 109 ASP CA . 18294 1 495 . 1 1 110 110 ASP CB C 13 38.8141 0.3 . 1 . . . . 109 ASP CB . 18294 1 496 . 1 1 110 110 ASP N N 15 119.6342 0.5 . 1 . . . . 109 ASP N . 18294 1 497 . 1 1 111 111 VAL H H 1 8.5013 0.03 . 1 . . . . 110 VAL HN . 18294 1 498 . 1 1 111 111 VAL CA C 13 67.6882 0.3 . 1 . . . . 110 VAL CA . 18294 1 499 . 1 1 111 111 VAL CB C 13 31.6980 0.3 . 1 . . . . 110 VAL CB . 18294 1 500 . 1 1 111 111 VAL N N 15 122.5048 0.5 . 1 . . . . 110 VAL N . 18294 1 501 . 1 1 112 112 ALA C C 13 180.7338 0.3 . 1 . . . . 111 ALA C . 18294 1 502 . 1 1 113 113 ASP H H 1 8.6839 0.03 . 1 . . . . 112 ASP HN . 18294 1 503 . 1 1 113 113 ASP C C 13 178.5000 0.3 . 1 . . . . 112 ASP C . 18294 1 504 . 1 1 113 113 ASP CA C 13 56.7884 0.3 . 1 . . . . 112 ASP CA . 18294 1 505 . 1 1 113 113 ASP CB C 13 39.3803 0.3 . 1 . . . . 112 ASP CB . 18294 1 506 . 1 1 113 113 ASP N N 15 118.0589 0.5 . 1 . . . . 112 ASP N . 18294 1 507 . 1 1 114 114 PHE H H 1 7.8796 0.03 . 1 . . . . 113 PHE HN . 18294 1 508 . 1 1 114 114 PHE C C 13 177.1458 0.3 . 1 . . . . 113 PHE C . 18294 1 509 . 1 1 114 114 PHE CA C 13 56.9293 0.3 . 1 . . . . 113 PHE CA . 18294 1 510 . 1 1 114 114 PHE CB C 13 39.4882 0.3 . 1 . . . . 113 PHE CB . 18294 1 511 . 1 1 114 114 PHE N N 15 122.1060 0.5 . 1 . . . . 113 PHE N . 18294 1 512 . 1 1 115 115 ALA H H 1 8.8677 0.03 . 1 . . . . 114 ALA HN . 18294 1 513 . 1 1 115 115 ALA C C 13 180.2057 0.3 . 1 . . . . 114 ALA C . 18294 1 514 . 1 1 115 115 ALA CA C 13 56.2879 0.3 . 1 . . . . 114 ALA CA . 18294 1 515 . 1 1 115 115 ALA CB C 13 17.1571 0.3 . 1 . . . . 114 ALA CB . 18294 1 516 . 1 1 115 115 ALA N N 15 121.4146 0.5 . 1 . . . . 114 ALA N . 18294 1 517 . 1 1 116 116 THR H H 1 8.7246 0.03 . 1 . . . . 115 THR HN . 18294 1 518 . 1 1 116 116 THR C C 13 175.9154 0.3 . 1 . . . . 115 THR C . 18294 1 519 . 1 1 116 116 THR CA C 13 66.9237 0.3 . 1 . . . . 115 THR CA . 18294 1 520 . 1 1 116 116 THR CB C 13 68.7024 0.3 . 1 . . . . 115 THR CB . 18294 1 521 . 1 1 116 116 THR N N 15 116.4718 0.5 . 1 . . . . 115 THR N . 18294 1 522 . 1 1 117 117 THR H H 1 8.3307 0.03 . 1 . . . . 116 THR HN . 18294 1 523 . 1 1 117 117 THR C C 13 177.6509 0.3 . 1 . . . . 116 THR C . 18294 1 524 . 1 1 117 117 THR CA C 13 67.1184 0.3 . 1 . . . . 116 THR CA . 18294 1 525 . 1 1 117 117 THR CB C 13 68.6633 0.3 . 1 . . . . 116 THR CB . 18294 1 526 . 1 1 117 117 THR N N 15 121.5080 0.5 . 1 . . . . 116 THR N . 18294 1 527 . 1 1 118 118 ILE H H 1 8.1510 0.03 . 1 . . . . 117 ILE HN . 18294 1 528 . 1 1 118 118 ILE CA C 13 65.1681 0.3 . 1 . . . . 117 ILE CA . 18294 1 529 . 1 1 118 118 ILE CB C 13 37.5243 0.3 . 1 . . . . 117 ILE CB . 18294 1 530 . 1 1 118 118 ILE N N 15 120.3992 0.5 . 1 . . . . 117 ILE N . 18294 1 531 . 1 1 119 119 TRP C C 13 177.6399 0.3 . 1 . . . . 118 TRP C . 18294 1 532 . 1 1 119 119 TRP CA C 13 60.6634 0.3 . 1 . . . . 118 TRP CA . 18294 1 533 . 1 1 119 119 TRP CB C 13 29.7908 0.3 . 1 . . . . 118 TRP CB . 18294 1 534 . 1 1 120 120 GLN H H 1 8.8923 0.03 . 1 . . . . 119 GLN HN . 18294 1 535 . 1 1 120 120 GLN C C 13 178.7094 0.3 . 1 . . . . 119 GLN C . 18294 1 536 . 1 1 120 120 GLN CA C 13 58.7510 0.3 . 1 . . . . 119 GLN CA . 18294 1 537 . 1 1 120 120 GLN CB C 13 27.9889 0.3 . 1 . . . . 119 GLN CB . 18294 1 538 . 1 1 120 120 GLN N N 15 115.9082 0.5 . 1 . . . . 119 GLN N . 18294 1 539 . 1 1 121 121 GLN H H 1 7.4150 0.03 . 1 . . . . 120 GLN HN . 18294 1 540 . 1 1 121 121 GLN C C 13 178.9842 0.3 . 1 . . . . 120 GLN C . 18294 1 541 . 1 1 121 121 GLN CA C 13 57.5960 0.3 . 1 . . . . 120 GLN CA . 18294 1 542 . 1 1 121 121 GLN CB C 13 29.7477 0.3 . 1 . . . . 120 GLN CB . 18294 1 543 . 1 1 121 121 GLN N N 15 119.4468 0.5 . 1 . . . . 120 GLN N . 18294 1 544 . 1 1 122 122 MET H H 1 8.1248 0.03 . 1 . . . . 121 MET HN . 18294 1 545 . 1 1 122 122 MET C C 13 178.3730 0.3 . 1 . . . . 121 MET C . 18294 1 546 . 1 1 122 122 MET CA C 13 60.0302 0.3 . 1 . . . . 121 MET CA . 18294 1 547 . 1 1 122 122 MET CB C 13 32.8944 0.3 . 1 . . . . 121 MET CB . 18294 1 548 . 1 1 122 122 MET N N 15 118.8083 0.5 . 1 . . . . 121 MET N . 18294 1 549 . 1 1 123 123 GLU H H 1 8.1815 0.03 . 1 . . . . 122 GLU HN . 18294 1 550 . 1 1 123 123 GLU C C 13 180.1048 0.3 . 1 . . . . 122 GLU C . 18294 1 551 . 1 1 123 123 GLU CA C 13 58.6274 0.3 . 1 . . . . 122 GLU CA . 18294 1 552 . 1 1 123 123 GLU CB C 13 27.7113 0.3 . 1 . . . . 122 GLU CB . 18294 1 553 . 1 1 123 123 GLU N N 15 118.4650 0.5 . 1 . . . . 122 GLU N . 18294 1 554 . 1 1 124 124 GLU H H 1 7.8030 0.03 . 1 . . . . 123 GLU HN . 18294 1 555 . 1 1 124 124 GLU C C 13 177.7311 0.3 . 1 . . . . 123 GLU C . 18294 1 556 . 1 1 124 124 GLU CA C 13 58.6844 0.3 . 1 . . . . 123 GLU CA . 18294 1 557 . 1 1 124 124 GLU CB C 13 28.1095 0.3 . 1 . . . . 123 GLU CB . 18294 1 558 . 1 1 124 124 GLU N N 15 120.6262 0.5 . 1 . . . . 123 GLU N . 18294 1 559 . 1 1 125 125 LEU H H 1 7.3233 0.03 . 1 . . . . 124 LEU HN . 18294 1 560 . 1 1 125 125 LEU C C 13 176.9534 0.3 . 1 . . . . 124 LEU C . 18294 1 561 . 1 1 125 125 LEU CA C 13 54.5164 0.3 . 1 . . . . 124 LEU CA . 18294 1 562 . 1 1 125 125 LEU CB C 13 42.3242 0.3 . 1 . . . . 124 LEU CB . 18294 1 563 . 1 1 125 125 LEU N N 15 116.1713 0.5 . 1 . . . . 124 LEU N . 18294 1 564 . 1 1 126 126 GLY H H 1 7.6575 0.03 . 1 . . . . 125 GLY HN . 18294 1 565 . 1 1 126 126 GLY C C 13 175.1286 0.3 . 1 . . . . 125 GLY C . 18294 1 566 . 1 1 126 126 GLY CA C 13 46.3284 0.3 . 1 . . . . 125 GLY CA . 18294 1 567 . 1 1 126 126 GLY N N 15 108.2028 0.5 . 1 . . . . 125 GLY N . 18294 1 568 . 1 1 127 127 MET H H 1 7.8990 0.03 . 1 . . . . 126 MET HN . 18294 1 569 . 1 1 127 127 MET C C 13 174.2334 0.3 . 1 . . . . 126 MET C . 18294 1 570 . 1 1 127 127 MET CA C 13 55.0892 0.3 . 1 . . . . 126 MET CA . 18294 1 571 . 1 1 127 127 MET CB C 13 33.5847 0.3 . 1 . . . . 126 MET CB . 18294 1 572 . 1 1 127 127 MET N N 15 116.1903 0.5 . 1 . . . . 126 MET N . 18294 1 573 . 1 1 128 128 ALA H H 1 7.6956 0.03 . 1 . . . . 127 ALA HN . 18294 1 574 . 1 1 128 128 ALA CA C 13 49.9786 0.3 . 1 . . . . 127 ALA CA . 18294 1 575 . 1 1 128 128 ALA CB C 13 17.6010 0.3 . 1 . . . . 127 ALA CB . 18294 1 576 . 1 1 128 128 ALA N N 15 123.5479 0.5 . 1 . . . . 127 ALA N . 18294 1 577 . 1 1 129 129 PRO C C 13 175.5835 0.3 . 1 . . . . 128 PRO C . 18294 1 578 . 1 1 129 129 PRO CA C 13 62.1982 0.3 . 1 . . . . 128 PRO CA . 18294 1 579 . 1 1 129 129 PRO CB C 13 31.8104 0.3 . 1 . . . . 128 PRO CB . 18294 1 580 . 1 1 130 130 ALA H H 1 8.2025 0.03 . 1 . . . . 129 ALA HN . 18294 1 581 . 1 1 130 130 ALA C C 13 177.6592 0.3 . 1 . . . . 129 ALA C . 18294 1 582 . 1 1 130 130 ALA CA C 13 52.7946 0.3 . 1 . . . . 129 ALA CA . 18294 1 583 . 1 1 130 130 ALA CB C 13 18.9429 0.3 . 1 . . . . 129 ALA CB . 18294 1 584 . 1 1 130 130 ALA N N 15 122.3839 0.5 . 1 . . . . 129 ALA N . 18294 1 585 . 1 1 131 131 LEU H H 1 7.9052 0.03 . 1 . . . . 130 LEU HN . 18294 1 586 . 1 1 131 131 LEU C C 13 177.0660 0.3 . 1 . . . . 130 LEU C . 18294 1 587 . 1 1 131 131 LEU CA C 13 54.5270 0.3 . 1 . . . . 130 LEU CA . 18294 1 588 . 1 1 131 131 LEU CB C 13 42.9474 0.3 . 1 . . . . 130 LEU CB . 18294 1 589 . 1 1 131 131 LEU N N 15 119.8207 0.5 . 1 . . . . 130 LEU N . 18294 1 590 . 1 1 132 132 GLN H H 1 8.0900 0.03 . 1 . . . . 131 GLN HN . 18294 1 591 . 1 1 132 132 GLN CA C 13 56.3000 0.3 . 1 . . . . 131 GLN CA . 18294 1 592 . 1 1 132 132 GLN CB C 13 32.9184 0.3 . 1 . . . . 131 GLN CB . 18294 1 593 . 1 1 132 132 GLN N N 15 122.2878 0.5 . 1 . . . . 131 GLN N . 18294 1 594 . 1 1 133 133 PRO C C 13 176.2227 0.3 . 1 . . . . 132 PRO C . 18294 1 595 . 1 1 133 133 PRO CA C 13 62.7082 0.3 . 1 . . . . 132 PRO CA . 18294 1 596 . 1 1 133 133 PRO CB C 13 31.8098 0.3 . 1 . . . . 132 PRO CB . 18294 1 597 . 1 1 134 134 THR H H 1 8.1632 0.03 . 1 . . . . 133 THR HN . 18294 1 598 . 1 1 134 134 THR C C 13 174.3334 0.3 . 1 . . . . 133 THR C . 18294 1 599 . 1 1 134 134 THR CA C 13 61.5489 0.3 . 1 . . . . 133 THR CA . 18294 1 600 . 1 1 134 134 THR CB C 13 69.9557 0.3 . 1 . . . . 133 THR CB . 18294 1 601 . 1 1 134 134 THR N N 15 114.9516 0.5 . 1 . . . . 133 THR N . 18294 1 602 . 1 1 135 135 GLN H H 1 8.6418 0.03 . 1 . . . . 134 GLN HN . 18294 1 603 . 1 1 135 135 GLN C C 13 176.1881 0.3 . 1 . . . . 134 GLN C . 18294 1 604 . 1 1 135 135 GLN CA C 13 55.7589 0.3 . 1 . . . . 134 GLN CA . 18294 1 605 . 1 1 135 135 GLN CB C 13 29.8636 0.3 . 1 . . . . 134 GLN CB . 18294 1 606 . 1 1 135 135 GLN N N 15 124.3801 0.5 . 1 . . . . 134 GLN N . 18294 1 607 . 1 1 136 136 GLY H H 1 8.2756 0.03 . 1 . . . . 135 GLY HN . 18294 1 608 . 1 1 136 136 GLY C C 13 172.5215 0.3 . 1 . . . . 135 GLY C . 18294 1 609 . 1 1 136 136 GLY CA C 13 44.1822 0.3 . 1 . . . . 135 GLY CA . 18294 1 610 . 1 1 136 136 GLY N N 15 111.3045 0.5 . 1 . . . . 135 GLY N . 18294 1 611 . 1 1 137 137 ALA H H 1 8.0720 0.03 . 1 . . . . 136 ALA HN . 18294 1 612 . 1 1 137 137 ALA C C 13 177.6182 0.3 . 1 . . . . 136 ALA C . 18294 1 613 . 1 1 137 137 ALA CA C 13 52.2535 0.3 . 1 . . . . 136 ALA CA . 18294 1 614 . 1 1 137 137 ALA CB C 13 18.8156 0.3 . 1 . . . . 136 ALA CB . 18294 1 615 . 1 1 137 137 ALA N N 15 122.6863 0.5 . 1 . . . . 136 ALA N . 18294 1 616 . 1 1 138 138 MET H H 1 8.3214 0.03 . 1 . . . . 137 MET HN . 18294 1 617 . 1 1 138 138 MET CA C 13 52.2020 0.3 . 1 . . . . 137 MET CA . 18294 1 618 . 1 1 138 138 MET CB C 13 34.1278 0.3 . 1 . . . . 137 MET CB . 18294 1 619 . 1 1 138 138 MET N N 15 121.7917 0.5 . 1 . . . . 137 MET N . 18294 1 620 . 1 1 139 139 PRO C C 13 173.9500 0.3 . 1 . . . . 138 PRO C . 18294 1 621 . 1 1 139 139 PRO CA C 13 61.9485 0.3 . 1 . . . . 138 PRO CA . 18294 1 622 . 1 1 139 139 PRO CB C 13 31.1308 0.3 . 1 . . . . 138 PRO CB . 18294 1 623 . 1 1 140 140 ALA H H 1 7.8651 0.03 . 1 . . . . 139 ALA HN . 18294 1 624 . 1 1 140 140 ALA C C 13 176.4701 0.3 . 1 . . . . 139 ALA C . 18294 1 625 . 1 1 140 140 ALA CA C 13 50.5703 0.3 . 1 . . . . 139 ALA CA . 18294 1 626 . 1 1 140 140 ALA CB C 13 19.3467 0.3 . 1 . . . . 139 ALA CB . 18294 1 627 . 1 1 140 140 ALA N N 15 122.1923 0.5 . 1 . . . . 139 ALA N . 18294 1 628 . 1 1 141 141 PHE H H 1 8.3851 0.03 . 1 . . . . 140 PHE HN . 18294 1 629 . 1 1 141 141 PHE C C 13 175.2409 0.3 . 1 . . . . 140 PHE C . 18294 1 630 . 1 1 141 141 PHE CA C 13 56.4468 0.3 . 1 . . . . 140 PHE CA . 18294 1 631 . 1 1 141 141 PHE CB C 13 38.9057 0.3 . 1 . . . . 140 PHE CB . 18294 1 632 . 1 1 141 141 PHE N N 15 120.6383 0.5 . 1 . . . . 140 PHE N . 18294 1 633 . 1 1 142 142 ALA H H 1 8.1180 0.03 . 1 . . . . 141 ALA HN . 18294 1 634 . 1 1 142 142 ALA C C 13 177.3059 0.3 . 1 . . . . 141 ALA C . 18294 1 635 . 1 1 142 142 ALA CA C 13 54.0005 0.3 . 1 . . . . 141 ALA CA . 18294 1 636 . 1 1 142 142 ALA CB C 13 19.9764 0.3 . 1 . . . . 141 ALA CB . 18294 1 637 . 1 1 142 142 ALA N N 15 124.8605 0.5 . 1 . . . . 141 ALA N . 18294 1 638 . 1 1 143 143 SER H H 1 7.8124 0.03 . 1 . . . . 142 SER HN . 18294 1 639 . 1 1 143 143 SER C C 13 174.1780 0.3 . 1 . . . . 142 SER C . 18294 1 640 . 1 1 143 143 SER CA C 13 55.8132 0.3 . 1 . . . . 142 SER CA . 18294 1 641 . 1 1 143 143 SER CB C 13 66.7410 0.3 . 1 . . . . 142 SER CB . 18294 1 642 . 1 1 143 143 SER N N 15 111.6652 0.5 . 1 . . . . 142 SER N . 18294 1 643 . 1 1 144 144 ALA H H 1 8.9986 0.03 . 1 . . . . 143 ALA HN . 18294 1 644 . 1 1 144 144 ALA C C 13 179.7995 0.3 . 1 . . . . 143 ALA C . 18294 1 645 . 1 1 144 144 ALA CA C 13 55.7187 0.3 . 1 . . . . 143 ALA CA . 18294 1 646 . 1 1 144 144 ALA CB C 13 17.4840 0.3 . 1 . . . . 143 ALA CB . 18294 1 647 . 1 1 144 144 ALA N N 15 124.4765 0.5 . 1 . . . . 143 ALA N . 18294 1 648 . 1 1 145 145 PHE H H 1 8.6843 0.03 . 1 . . . . 144 PHE HN . 18294 1 649 . 1 1 145 145 PHE C C 13 176.8199 0.3 . 1 . . . . 144 PHE C . 18294 1 650 . 1 1 145 145 PHE CA C 13 61.7642 0.3 . 1 . . . . 144 PHE CA . 18294 1 651 . 1 1 145 145 PHE CB C 13 38.9278 0.3 . 1 . . . . 144 PHE CB . 18294 1 652 . 1 1 145 145 PHE N N 15 117.0412 0.5 . 1 . . . . 144 PHE N . 18294 1 653 . 1 1 146 146 GLN H H 1 7.8461 0.03 . 1 . . . . 145 GLN HN . 18294 1 654 . 1 1 146 146 GLN C C 13 178.4820 0.3 . 1 . . . . 145 GLN C . 18294 1 655 . 1 1 146 146 GLN CA C 13 59.8242 0.3 . 1 . . . . 145 GLN CA . 18294 1 656 . 1 1 146 146 GLN CB C 13 28.2160 0.3 . 1 . . . . 145 GLN CB . 18294 1 657 . 1 1 146 146 GLN N N 15 115.9204 0.5 . 1 . . . . 145 GLN N . 18294 1 658 . 1 1 147 147 ARG H H 1 7.9286 0.03 . 1 . . . . 146 ARG HN . 18294 1 659 . 1 1 147 147 ARG C C 13 177.2853 0.3 . 1 . . . . 146 ARG C . 18294 1 660 . 1 1 147 147 ARG CA C 13 59.7514 0.3 . 1 . . . . 146 ARG CA . 18294 1 661 . 1 1 147 147 ARG CB C 13 30.7640 0.3 . 1 . . . . 146 ARG CB . 18294 1 662 . 1 1 147 147 ARG N N 15 117.3614 0.5 . 1 . . . . 146 ARG N . 18294 1 663 . 1 1 148 148 ARG H H 1 7.8205 0.03 . 1 . . . . 147 ARG HN . 18294 1 664 . 1 1 148 148 ARG C C 13 177.0851 0.3 . 1 . . . . 147 ARG C . 18294 1 665 . 1 1 148 148 ARG CA C 13 59.7436 0.3 . 1 . . . . 147 ARG CA . 18294 1 666 . 1 1 148 148 ARG CB C 13 30.0682 0.3 . 1 . . . . 147 ARG CB . 18294 1 667 . 1 1 148 148 ARG N N 15 118.1001 0.5 . 1 . . . . 147 ARG N . 18294 1 668 . 1 1 149 149 ALA H H 1 8.3357 0.03 . 1 . . . . 148 ALA HN . 18294 1 669 . 1 1 149 149 ALA C C 13 180.0014 0.3 . 1 . . . . 148 ALA C . 18294 1 670 . 1 1 149 149 ALA CA C 13 54.5825 0.3 . 1 . . . . 148 ALA CA . 18294 1 671 . 1 1 149 149 ALA CB C 13 18.5930 0.3 . 1 . . . . 148 ALA CB . 18294 1 672 . 1 1 149 149 ALA N N 15 120.2525 0.5 . 1 . . . . 148 ALA N . 18294 1 673 . 1 1 150 150 GLY H H 1 8.2114 0.03 . 1 . . . . 149 GLY HN . 18294 1 674 . 1 1 150 150 GLY C C 13 175.1647 0.3 . 1 . . . . 149 GLY C . 18294 1 675 . 1 1 150 150 GLY CA C 13 47.0296 0.3 . 1 . . . . 149 GLY CA . 18294 1 676 . 1 1 150 150 GLY N N 15 106.3997 0.5 . 1 . . . . 149 GLY N . 18294 1 677 . 1 1 151 151 GLY H H 1 7.8650 0.03 . 1 . . . . 150 GLY HN . 18294 1 678 . 1 1 151 151 GLY C C 13 173.9110 0.3 . 1 . . . . 150 GLY C . 18294 1 679 . 1 1 151 151 GLY CA C 13 48.0177 0.3 . 1 . . . . 150 GLY CA . 18294 1 680 . 1 1 151 151 GLY N N 15 109.0155 0.5 . 1 . . . . 150 GLY N . 18294 1 681 . 1 1 152 152 VAL H H 1 7.2971 0.03 . 1 . . . . 151 VAL HN . 18294 1 682 . 1 1 152 152 VAL C C 13 178.9984 0.3 . 1 . . . . 151 VAL C . 18294 1 683 . 1 1 152 152 VAL CA C 13 66.5289 0.3 . 1 . . . . 151 VAL CA . 18294 1 684 . 1 1 152 152 VAL CB C 13 31.2866 0.3 . 1 . . . . 151 VAL CB . 18294 1 685 . 1 1 152 152 VAL N N 15 121.0825 0.5 . 1 . . . . 151 VAL N . 18294 1 686 . 1 1 153 153 LEU H H 1 8.0502 0.03 . 1 . . . . 152 LEU HN . 18294 1 687 . 1 1 153 153 LEU C C 13 179.0948 0.3 . 1 . . . . 152 LEU C . 18294 1 688 . 1 1 153 153 LEU CA C 13 58.1422 0.3 . 1 . . . . 152 LEU CA . 18294 1 689 . 1 1 153 153 LEU CB C 13 43.2862 0.3 . 1 . . . . 152 LEU CB . 18294 1 690 . 1 1 153 153 LEU N N 15 119.9656 0.5 . 1 . . . . 152 LEU N . 18294 1 691 . 1 1 154 154 VAL H H 1 9.3744 0.03 . 1 . . . . 153 VAL HN . 18294 1 692 . 1 1 154 154 VAL C C 13 177.2667 0.3 . 1 . . . . 153 VAL C . 18294 1 693 . 1 1 154 154 VAL CA C 13 67.4536 0.3 . 1 . . . . 153 VAL CA . 18294 1 694 . 1 1 154 154 VAL CB C 13 31.6126 0.3 . 1 . . . . 153 VAL CB . 18294 1 695 . 1 1 154 154 VAL N N 15 119.7611 0.5 . 1 . . . . 153 VAL N . 18294 1 696 . 1 1 155 155 ALA H H 1 8.2532 0.03 . 1 . . . . 154 ALA HN . 18294 1 697 . 1 1 155 155 ALA C C 13 179.2924 0.3 . 1 . . . . 154 ALA C . 18294 1 698 . 1 1 155 155 ALA CA C 13 55.8586 0.3 . 1 . . . . 154 ALA CA . 18294 1 699 . 1 1 155 155 ALA CB C 13 17.2729 0.3 . 1 . . . . 154 ALA CB . 18294 1 700 . 1 1 155 155 ALA N N 15 119.6739 0.5 . 1 . . . . 154 ALA N . 18294 1 701 . 1 1 156 156 SER H H 1 8.0282 0.03 . 1 . . . . 155 SER HN . 18294 1 702 . 1 1 156 156 SER C C 13 177.3230 0.3 . 1 . . . . 155 SER C . 18294 1 703 . 1 1 156 156 SER CA C 13 61.5604 0.3 . 1 . . . . 155 SER CA . 18294 1 704 . 1 1 156 156 SER CB C 13 62.7441 0.3 . 1 . . . . 155 SER CB . 18294 1 705 . 1 1 156 156 SER N N 15 112.2660 0.5 . 1 . . . . 155 SER N . 18294 1 706 . 1 1 157 157 HIS H H 1 7.9763 0.03 . 1 . . . . 156 HIS HN . 18294 1 707 . 1 1 157 157 HIS C C 13 177.0279 0.3 . 1 . . . . 156 HIS C . 18294 1 708 . 1 1 157 157 HIS CA C 13 59.2258 0.3 . 1 . . . . 156 HIS CA . 18294 1 709 . 1 1 157 157 HIS CB C 13 27.7548 0.3 . 1 . . . . 156 HIS CB . 18294 1 710 . 1 1 157 157 HIS N N 15 122.7220 0.5 . 1 . . . . 156 HIS N . 18294 1 711 . 1 1 158 158 LEU H H 1 8.6563 0.03 . 1 . . . . 157 LEU HN . 18294 1 712 . 1 1 158 158 LEU C C 13 177.9906 0.3 . 1 . . . . 157 LEU C . 18294 1 713 . 1 1 158 158 LEU CA C 13 57.6160 0.3 . 1 . . . . 157 LEU CA . 18294 1 714 . 1 1 158 158 LEU CB C 13 41.1036 0.3 . 1 . . . . 157 LEU CB . 18294 1 715 . 1 1 158 158 LEU N N 15 122.3892 0.5 . 1 . . . . 157 LEU N . 18294 1 716 . 1 1 159 159 GLN H H 1 8.1121 0.03 . 1 . . . . 158 GLN HN . 18294 1 717 . 1 1 159 159 GLN C C 13 179.3935 0.3 . 1 . . . . 158 GLN C . 18294 1 718 . 1 1 159 159 GLN CA C 13 59.3191 0.3 . 1 . . . . 158 GLN CA . 18294 1 719 . 1 1 159 159 GLN CB C 13 27.7840 0.3 . 1 . . . . 158 GLN CB . 18294 1 720 . 1 1 159 159 GLN N N 15 117.5731 0.5 . 1 . . . . 158 GLN N . 18294 1 721 . 1 1 160 160 SER H H 1 7.6072 0.03 . 1 . . . . 159 SER HN . 18294 1 722 . 1 1 160 160 SER C C 13 176.2720 0.3 . 1 . . . . 159 SER C . 18294 1 723 . 1 1 160 160 SER CB C 13 62.3772 0.3 . 1 . . . . 159 SER CB . 18294 1 724 . 1 1 160 160 SER N N 15 115.6752 0.5 . 1 . . . . 159 SER N . 18294 1 725 . 1 1 161 161 PHE H H 1 8.3655 0.03 . 1 . . . . 160 PHE HN . 18294 1 726 . 1 1 161 161 PHE C C 13 178.8258 0.3 . 1 . . . . 160 PHE C . 18294 1 727 . 1 1 161 161 PHE CA C 13 61.2210 0.3 . 1 . . . . 160 PHE CA . 18294 1 728 . 1 1 161 161 PHE CB C 13 39.3495 0.3 . 1 . . . . 160 PHE CB . 18294 1 729 . 1 1 161 161 PHE N N 15 124.6143 0.5 . 1 . . . . 160 PHE N . 18294 1 730 . 1 1 162 162 LEU H H 1 8.9832 0.03 . 1 . . . . 161 LEU HN . 18294 1 731 . 1 1 162 162 LEU C C 13 178.3587 0.3 . 1 . . . . 161 LEU C . 18294 1 732 . 1 1 162 162 LEU CA C 13 56.8860 0.3 . 1 . . . . 161 LEU CA . 18294 1 733 . 1 1 162 162 LEU CB C 13 41.2501 0.3 . 1 . . . . 161 LEU CB . 18294 1 734 . 1 1 162 162 LEU N N 15 120.0305 0.5 . 1 . . . . 161 LEU N . 18294 1 735 . 1 1 163 163 GLU H H 1 7.9760 0.03 . 1 . . . . 162 GLU HN . 18294 1 736 . 1 1 163 163 GLU C C 13 179.3257 0.3 . 1 . . . . 162 GLU C . 18294 1 737 . 1 1 163 163 GLU CA C 13 59.3802 0.3 . 1 . . . . 162 GLU CA . 18294 1 738 . 1 1 163 163 GLU CB C 13 28.4228 0.3 . 1 . . . . 162 GLU CB . 18294 1 739 . 1 1 163 163 GLU N N 15 121.3085 0.5 . 1 . . . . 162 GLU N . 18294 1 740 . 1 1 164 164 VAL H H 1 7.5236 0.03 . 1 . . . . 163 VAL HN . 18294 1 741 . 1 1 164 164 VAL C C 13 178.3492 0.3 . 1 . . . . 163 VAL C . 18294 1 742 . 1 1 164 164 VAL CA C 13 66.5042 0.3 . 1 . . . . 163 VAL CA . 18294 1 743 . 1 1 164 164 VAL CB C 13 31.0389 0.3 . 1 . . . . 163 VAL CB . 18294 1 744 . 1 1 164 164 VAL N N 15 119.4357 0.5 . 1 . . . . 163 VAL N . 18294 1 745 . 1 1 165 165 SER H H 1 8.0461 0.03 . 1 . . . . 164 SER HN . 18294 1 746 . 1 1 165 165 SER C C 13 174.8622 0.3 . 1 . . . . 164 SER C . 18294 1 747 . 1 1 165 165 SER N N 15 115.7514 0.5 . 1 . . . . 164 SER N . 18294 1 748 . 1 1 166 166 TYR H H 1 8.7134 0.03 . 1 . . . . 165 TYR HN . 18294 1 749 . 1 1 166 166 TYR C C 13 176.1915 0.3 . 1 . . . . 165 TYR C . 18294 1 750 . 1 1 166 166 TYR CA C 13 62.1985 0.3 . 1 . . . . 165 TYR CA . 18294 1 751 . 1 1 166 166 TYR CB C 13 38.2376 0.3 . 1 . . . . 165 TYR CB . 18294 1 752 . 1 1 166 166 TYR N N 15 121.8478 0.5 . 1 . . . . 165 TYR N . 18294 1 753 . 1 1 167 167 ARG H H 1 7.4705 0.03 . 1 . . . . 166 ARG HN . 18294 1 754 . 1 1 167 167 ARG C C 13 179.7502 0.3 . 1 . . . . 166 ARG C . 18294 1 755 . 1 1 167 167 ARG CA C 13 59.8936 0.3 . 1 . . . . 166 ARG CA . 18294 1 756 . 1 1 167 167 ARG CB C 13 29.8829 0.3 . 1 . . . . 166 ARG CB . 18294 1 757 . 1 1 167 167 ARG N N 15 117.1648 0.5 . 1 . . . . 166 ARG N . 18294 1 758 . 1 1 168 168 VAL H H 1 8.1737 0.03 . 1 . . . . 167 VAL HN . 18294 1 759 . 1 1 168 168 VAL C C 13 178.2245 0.3 . 1 . . . . 167 VAL C . 18294 1 760 . 1 1 168 168 VAL CA C 13 65.8545 0.3 . 1 . . . . 167 VAL CA . 18294 1 761 . 1 1 168 168 VAL CB C 13 32.0293 0.3 . 1 . . . . 167 VAL CB . 18294 1 762 . 1 1 168 168 VAL N N 15 120.2318 0.5 . 1 . . . . 167 VAL N . 18294 1 763 . 1 1 169 169 LEU H H 1 8.2894 0.03 . 1 . . . . 168 LEU HN . 18294 1 764 . 1 1 169 169 LEU C C 13 178.6371 0.3 . 1 . . . . 168 LEU C . 18294 1 765 . 1 1 169 169 LEU CA C 13 58.0780 0.3 . 1 . . . . 168 LEU CA . 18294 1 766 . 1 1 169 169 LEU CB C 13 41.6868 0.3 . 1 . . . . 168 LEU CB . 18294 1 767 . 1 1 169 169 LEU N N 15 119.7093 0.5 . 1 . . . . 168 LEU N . 18294 1 768 . 1 1 170 170 ARG H H 1 8.4991 0.03 . 1 . . . . 169 ARG HN . 18294 1 769 . 1 1 170 170 ARG C C 13 178.6547 0.3 . 1 . . . . 169 ARG C . 18294 1 770 . 1 1 170 170 ARG CA C 13 58.7459 0.3 . 1 . . . . 169 ARG CA . 18294 1 771 . 1 1 170 170 ARG CB C 13 28.9009 0.3 . 1 . . . . 169 ARG CB . 18294 1 772 . 1 1 170 170 ARG N N 15 117.6155 0.5 . 1 . . . . 169 ARG N . 18294 1 773 . 1 1 171 171 HIS H H 1 7.6628 0.03 . 1 . . . . 170 HIS HN . 18294 1 774 . 1 1 171 171 HIS C C 13 176.3901 0.3 . 1 . . . . 170 HIS C . 18294 1 775 . 1 1 171 171 HIS CA C 13 57.7050 0.3 . 1 . . . . 170 HIS CA . 18294 1 776 . 1 1 171 171 HIS CB C 13 27.7143 0.3 . 1 . . . . 170 HIS CB . 18294 1 777 . 1 1 171 171 HIS N N 15 116.7681 0.5 . 1 . . . . 170 HIS N . 18294 1 778 . 1 1 172 172 LEU H H 1 7.7142 0.03 . 1 . . . . 171 LEU HN . 18294 1 779 . 1 1 172 172 LEU C C 13 177.3396 0.3 . 1 . . . . 171 LEU C . 18294 1 780 . 1 1 172 172 LEU CA C 13 56.4718 0.3 . 1 . . . . 171 LEU CA . 18294 1 781 . 1 1 172 172 LEU CB C 13 42.1996 0.3 . 1 . . . . 171 LEU CB . 18294 1 782 . 1 1 172 172 LEU N N 15 118.0504 0.5 . 1 . . . . 171 LEU N . 18294 1 783 . 1 1 173 173 ALA H H 1 7.5941 0.03 . 1 . . . . 172 ALA HN . 18294 1 784 . 1 1 173 173 ALA C C 13 176.9812 0.3 . 1 . . . . 172 ALA C . 18294 1 785 . 1 1 173 173 ALA CA C 13 52.7072 0.3 . 1 . . . . 172 ALA CA . 18294 1 786 . 1 1 173 173 ALA CB C 13 19.0036 0.3 . 1 . . . . 172 ALA CB . 18294 1 787 . 1 1 173 173 ALA N N 15 120.0901 0.5 . 1 . . . . 172 ALA N . 18294 1 788 . 1 1 174 174 GLN H H 1 7.6969 0.03 . 1 . . . . 173 GLN HN . 18294 1 789 . 1 1 174 174 GLN CA C 13 53.4421 0.3 . 1 . . . . 173 GLN CA . 18294 1 790 . 1 1 174 174 GLN CB C 13 29.0050 0.3 . 1 . . . . 173 GLN CB . 18294 1 791 . 1 1 174 174 GLN N N 15 118.7428 0.5 . 1 . . . . 173 GLN N . 18294 1 stop_ save_