data_18295 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18295 _Entry.Title ; Backbone 1HN, 13C, and 15N Chemical Shift Assignments for Granulocyte colony-stimulating factor A37G ; _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 A38G' _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 . . . 18295 2 Derek Hodgson . . . 18295 3 Yves Aubin . . . 18295 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' . 18295 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18295 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 471 18295 '15N chemical shifts' 153 18295 '1H chemical shifts' 157 18295 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' 18295 1 . . 2012-08-21 2012-02-24 original author 'original release' 18295 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18291 'Granulocyte colony-stimulating factor' 18295 BMRB 18293 'Granulocyte colony-stimulating factor A29G' 18295 BMRB 18294 'Granulocyte colony-stimulating factor A30G' 18295 stop_ save_ ############### # Citations # ############### save_metGCSF_A38G _Citation.Sf_category citations _Citation.Sf_framecode metGCSF_A38G _Citation.Entry_ID 18295 _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. . 18295 1 2 William Thach . B. . 18295 1 3 Genevieve Gingras . . . 18295 1 4 Simon Sauve . . . 18295 1 5 Adrian Bristow . F. . 18295 1 6 Yves Aubin . . . 18295 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Filgrastim 18295 1 G-CSF 18295 1 Neupogen 18295 1 'NMR fingerprint' 18295 1 'subsequent entry biologics' 18295 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18295 _Assembly.ID 1 _Assembly.Name 'Granulocyte colony-stimulating factor A37G' _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 A37G' 1 $metGCSFA38G A . yes native no no . . . 18295 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 . . . . . . . . . . 18295 1 2 disulfide single . 1 . 1 CYS 65 65 SG . 1 . 1 CYS 75 75 SG . . . . . . . . . . 18295 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_metGCSFA38G _Entity.Sf_category entity _Entity.Sf_framecode metGCSFA38G _Entity.Entry_ID 18295 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name metGCSFA38G _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 QVRKIQGDGAALQEKLCGTY 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 38 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 . . . . 18295 1 2 no BMRB 18293 . metGCSFA30G . . . . . 100.00 175 98.86 98.86 2.28e-117 . . . . 18295 1 3 no BMRB 18294 . metGCSFA31G . . . . . 100.00 175 98.86 98.86 2.28e-117 . . . . 18295 1 4 no PDB 1CD9 . "2:2 Complex Of G-Csf With Its Receptor" . . . . . 100.00 175 99.43 99.43 3.96e-118 . . . . 18295 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 . . . . 18295 1 6 no PDB 1PGR . "2:2 Complex Of G-Csf With Its Receptor" . . . . . 100.00 175 99.43 99.43 3.96e-118 . . . . 18295 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 . . . . 18295 1 8 no PDB 2D9Q . "Crystal Structure Of The Human Gcsf-Receptor Signaling Complex" . . . . . 99.43 174 99.43 99.43 2.43e-117 . . . . 18295 1 9 no DBJ BAF82936 . "unnamed protein product [Homo sapiens]" . . . . . 99.43 200 99.43 99.43 6.02e-117 . . . . 18295 1 10 no DBJ BAG36289 . "unnamed protein product [Homo sapiens]" . . . . . 99.43 204 99.43 99.43 3.71e-117 . . . . 18295 1 11 no DBJ BAJ21174 . "colony stimulating factor 3 [synthetic construct]" . . . . . 99.43 204 99.43 99.43 3.71e-117 . . . . 18295 1 12 no EMBL CAA27168 . "unnamed protein product [Homo sapiens]" . . . . . 101.14 207 97.74 97.74 4.13e-115 . . . . 18295 1 13 no EMBL CAA27290 . "G-CSF protein [Homo sapiens]" . . . . . 99.43 204 99.43 99.43 3.71e-117 . . . . 18295 1 14 no EMBL CAA27291 . "G-CSF protein [Homo sapiens]" . . . . . 101.14 207 97.74 97.74 4.13e-115 . . . . 18295 1 15 no EMBL CAG46689 . "CSF3 [Homo sapiens]" . . . . . 99.43 204 99.43 99.43 3.71e-117 . . . . 18295 1 16 no GB AAA03056 . "human granulocyte-colony stimulating factor, partial [Homo sapiens]" . . . . . 99.43 186 99.43 99.43 3.33e-117 . . . . 18295 1 17 no GB AAA35882 . "granulocyte colony stimulating factor precursor [Homo sapiens]" . . . . . 99.43 204 99.43 99.43 3.71e-117 . . . . 18295 1 18 no GB AAH33245 . "Colony stimulating factor 3 (granulocyte) [Homo sapiens]" . . . . . 99.43 200 99.43 99.43 6.02e-117 . . . . 18295 1 19 no GB AAK62469 . "colony stimulating factor 3 (granulocyte) [Homo sapiens]" . . . . . 101.14 207 97.74 97.74 4.13e-115 . . . . 18295 1 20 no GB AAV38741 . "colony stimulating factor 3 (granulocyte) [synthetic construct]" . . . . . 99.43 205 98.85 99.43 4.23e-117 . . . . 18295 1 21 no PRF 1203374A . "colony stimulating factor,granulocyte" . . . . . 101.14 207 97.74 97.74 4.13e-115 . . . . 18295 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 . . . . 18295 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 . . . . 18295 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 . . . . 18295 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 . . . . 18295 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 . . . . 18295 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 . . . . 18295 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 . 18295 1 2 1 THR . 18295 1 3 2 PRO . 18295 1 4 3 LEU . 18295 1 5 4 GLY . 18295 1 6 5 PRO . 18295 1 7 6 ALA . 18295 1 8 7 SER . 18295 1 9 8 SER . 18295 1 10 9 LEU . 18295 1 11 10 PRO . 18295 1 12 11 GLN . 18295 1 13 12 SER . 18295 1 14 13 PHE . 18295 1 15 14 LEU . 18295 1 16 15 LEU . 18295 1 17 16 LYS . 18295 1 18 17 CYS . 18295 1 19 18 LEU . 18295 1 20 19 GLU . 18295 1 21 20 GLN . 18295 1 22 21 VAL . 18295 1 23 22 ARG . 18295 1 24 23 LYS . 18295 1 25 24 ILE . 18295 1 26 25 GLN . 18295 1 27 26 GLY . 18295 1 28 27 ASP . 18295 1 29 28 GLY . 18295 1 30 29 ALA . 18295 1 31 30 ALA . 18295 1 32 31 LEU . 18295 1 33 32 GLN . 18295 1 34 33 GLU . 18295 1 35 34 LYS . 18295 1 36 35 LEU . 18295 1 37 36 CYS . 18295 1 38 37 GLY . 18295 1 39 38 THR . 18295 1 40 39 TYR . 18295 1 41 40 LYS . 18295 1 42 41 LEU . 18295 1 43 42 CYS . 18295 1 44 43 HIS . 18295 1 45 44 PRO . 18295 1 46 45 GLU . 18295 1 47 46 GLU . 18295 1 48 47 LEU . 18295 1 49 48 VAL . 18295 1 50 49 LEU . 18295 1 51 50 LEU . 18295 1 52 51 GLY . 18295 1 53 52 HIS . 18295 1 54 53 SER . 18295 1 55 54 LEU . 18295 1 56 55 GLY . 18295 1 57 56 ILE . 18295 1 58 57 PRO . 18295 1 59 58 TRP . 18295 1 60 59 ALA . 18295 1 61 60 PRO . 18295 1 62 61 LEU . 18295 1 63 62 SER . 18295 1 64 63 SER . 18295 1 65 64 CYS . 18295 1 66 65 PRO . 18295 1 67 66 SER . 18295 1 68 67 GLN . 18295 1 69 68 ALA . 18295 1 70 69 LEU . 18295 1 71 70 GLN . 18295 1 72 71 LEU . 18295 1 73 72 ALA . 18295 1 74 73 GLY . 18295 1 75 74 CYS . 18295 1 76 75 LEU . 18295 1 77 76 SER . 18295 1 78 77 GLN . 18295 1 79 78 LEU . 18295 1 80 79 HIS . 18295 1 81 80 SER . 18295 1 82 81 GLY . 18295 1 83 82 LEU . 18295 1 84 83 PHE . 18295 1 85 84 LEU . 18295 1 86 85 TYR . 18295 1 87 86 GLN . 18295 1 88 87 GLY . 18295 1 89 88 LEU . 18295 1 90 89 LEU . 18295 1 91 90 GLN . 18295 1 92 91 ALA . 18295 1 93 92 LEU . 18295 1 94 93 GLU . 18295 1 95 94 GLY . 18295 1 96 95 ILE . 18295 1 97 96 SER . 18295 1 98 97 PRO . 18295 1 99 98 GLU . 18295 1 100 99 LEU . 18295 1 101 100 GLY . 18295 1 102 101 PRO . 18295 1 103 102 THR . 18295 1 104 103 LEU . 18295 1 105 104 ASP . 18295 1 106 105 THR . 18295 1 107 106 LEU . 18295 1 108 107 GLN . 18295 1 109 108 LEU . 18295 1 110 109 ASP . 18295 1 111 110 VAL . 18295 1 112 111 ALA . 18295 1 113 112 ASP . 18295 1 114 113 PHE . 18295 1 115 114 ALA . 18295 1 116 115 THR . 18295 1 117 116 THR . 18295 1 118 117 ILE . 18295 1 119 118 TRP . 18295 1 120 119 GLN . 18295 1 121 120 GLN . 18295 1 122 121 MET . 18295 1 123 122 GLU . 18295 1 124 123 GLU . 18295 1 125 124 LEU . 18295 1 126 125 GLY . 18295 1 127 126 MET . 18295 1 128 127 ALA . 18295 1 129 128 PRO . 18295 1 130 129 ALA . 18295 1 131 130 LEU . 18295 1 132 131 GLN . 18295 1 133 132 PRO . 18295 1 134 133 THR . 18295 1 135 134 GLN . 18295 1 136 135 GLY . 18295 1 137 136 ALA . 18295 1 138 137 MET . 18295 1 139 138 PRO . 18295 1 140 139 ALA . 18295 1 141 140 PHE . 18295 1 142 141 ALA . 18295 1 143 142 SER . 18295 1 144 143 ALA . 18295 1 145 144 PHE . 18295 1 146 145 GLN . 18295 1 147 146 ARG . 18295 1 148 147 ARG . 18295 1 149 148 ALA . 18295 1 150 149 GLY . 18295 1 151 150 GLY . 18295 1 152 151 VAL . 18295 1 153 152 LEU . 18295 1 154 153 VAL . 18295 1 155 154 ALA . 18295 1 156 155 SER . 18295 1 157 156 HIS . 18295 1 158 157 LEU . 18295 1 159 158 GLN . 18295 1 160 159 SER . 18295 1 161 160 PHE . 18295 1 162 161 LEU . 18295 1 163 162 GLU . 18295 1 164 163 VAL . 18295 1 165 164 SER . 18295 1 166 165 TYR . 18295 1 167 166 ARG . 18295 1 168 167 VAL . 18295 1 169 168 LEU . 18295 1 170 169 ARG . 18295 1 171 170 HIS . 18295 1 172 171 LEU . 18295 1 173 172 ALA . 18295 1 174 173 GLN . 18295 1 175 174 PRO . 18295 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 18295 1 . THR 2 2 18295 1 . PRO 3 3 18295 1 . LEU 4 4 18295 1 . GLY 5 5 18295 1 . PRO 6 6 18295 1 . ALA 7 7 18295 1 . SER 8 8 18295 1 . SER 9 9 18295 1 . LEU 10 10 18295 1 . PRO 11 11 18295 1 . GLN 12 12 18295 1 . SER 13 13 18295 1 . PHE 14 14 18295 1 . LEU 15 15 18295 1 . LEU 16 16 18295 1 . LYS 17 17 18295 1 . CYS 18 18 18295 1 . LEU 19 19 18295 1 . GLU 20 20 18295 1 . GLN 21 21 18295 1 . VAL 22 22 18295 1 . ARG 23 23 18295 1 . LYS 24 24 18295 1 . ILE 25 25 18295 1 . GLN 26 26 18295 1 . GLY 27 27 18295 1 . ASP 28 28 18295 1 . GLY 29 29 18295 1 . ALA 30 30 18295 1 . ALA 31 31 18295 1 . LEU 32 32 18295 1 . GLN 33 33 18295 1 . GLU 34 34 18295 1 . LYS 35 35 18295 1 . LEU 36 36 18295 1 . CYS 37 37 18295 1 . GLY 38 38 18295 1 . THR 39 39 18295 1 . TYR 40 40 18295 1 . LYS 41 41 18295 1 . LEU 42 42 18295 1 . CYS 43 43 18295 1 . HIS 44 44 18295 1 . PRO 45 45 18295 1 . GLU 46 46 18295 1 . GLU 47 47 18295 1 . LEU 48 48 18295 1 . VAL 49 49 18295 1 . LEU 50 50 18295 1 . LEU 51 51 18295 1 . GLY 52 52 18295 1 . HIS 53 53 18295 1 . SER 54 54 18295 1 . LEU 55 55 18295 1 . GLY 56 56 18295 1 . ILE 57 57 18295 1 . PRO 58 58 18295 1 . TRP 59 59 18295 1 . ALA 60 60 18295 1 . PRO 61 61 18295 1 . LEU 62 62 18295 1 . SER 63 63 18295 1 . SER 64 64 18295 1 . CYS 65 65 18295 1 . PRO 66 66 18295 1 . SER 67 67 18295 1 . GLN 68 68 18295 1 . ALA 69 69 18295 1 . LEU 70 70 18295 1 . GLN 71 71 18295 1 . LEU 72 72 18295 1 . ALA 73 73 18295 1 . GLY 74 74 18295 1 . CYS 75 75 18295 1 . LEU 76 76 18295 1 . SER 77 77 18295 1 . GLN 78 78 18295 1 . LEU 79 79 18295 1 . HIS 80 80 18295 1 . SER 81 81 18295 1 . GLY 82 82 18295 1 . LEU 83 83 18295 1 . PHE 84 84 18295 1 . LEU 85 85 18295 1 . TYR 86 86 18295 1 . GLN 87 87 18295 1 . GLY 88 88 18295 1 . LEU 89 89 18295 1 . LEU 90 90 18295 1 . GLN 91 91 18295 1 . ALA 92 92 18295 1 . LEU 93 93 18295 1 . GLU 94 94 18295 1 . GLY 95 95 18295 1 . ILE 96 96 18295 1 . SER 97 97 18295 1 . PRO 98 98 18295 1 . GLU 99 99 18295 1 . LEU 100 100 18295 1 . GLY 101 101 18295 1 . PRO 102 102 18295 1 . THR 103 103 18295 1 . LEU 104 104 18295 1 . ASP 105 105 18295 1 . THR 106 106 18295 1 . LEU 107 107 18295 1 . GLN 108 108 18295 1 . LEU 109 109 18295 1 . ASP 110 110 18295 1 . VAL 111 111 18295 1 . ALA 112 112 18295 1 . ASP 113 113 18295 1 . PHE 114 114 18295 1 . ALA 115 115 18295 1 . THR 116 116 18295 1 . THR 117 117 18295 1 . ILE 118 118 18295 1 . TRP 119 119 18295 1 . GLN 120 120 18295 1 . GLN 121 121 18295 1 . MET 122 122 18295 1 . GLU 123 123 18295 1 . GLU 124 124 18295 1 . LEU 125 125 18295 1 . GLY 126 126 18295 1 . MET 127 127 18295 1 . ALA 128 128 18295 1 . PRO 129 129 18295 1 . ALA 130 130 18295 1 . LEU 131 131 18295 1 . GLN 132 132 18295 1 . PRO 133 133 18295 1 . THR 134 134 18295 1 . GLN 135 135 18295 1 . GLY 136 136 18295 1 . ALA 137 137 18295 1 . MET 138 138 18295 1 . PRO 139 139 18295 1 . ALA 140 140 18295 1 . PHE 141 141 18295 1 . ALA 142 142 18295 1 . SER 143 143 18295 1 . ALA 144 144 18295 1 . PHE 145 145 18295 1 . GLN 146 146 18295 1 . ARG 147 147 18295 1 . ARG 148 148 18295 1 . ALA 149 149 18295 1 . GLY 150 150 18295 1 . GLY 151 151 18295 1 . VAL 152 152 18295 1 . LEU 153 153 18295 1 . VAL 154 154 18295 1 . ALA 155 155 18295 1 . SER 156 156 18295 1 . HIS 157 157 18295 1 . LEU 158 158 18295 1 . GLN 159 159 18295 1 . SER 160 160 18295 1 . PHE 161 161 18295 1 . LEU 162 162 18295 1 . GLU 163 163 18295 1 . VAL 164 164 18295 1 . SER 165 165 18295 1 . TYR 166 166 18295 1 . ARG 167 167 18295 1 . VAL 168 168 18295 1 . LEU 169 169 18295 1 . ARG 170 170 18295 1 . HIS 171 171 18295 1 . LEU 172 172 18295 1 . ALA 173 173 18295 1 . GLN 174 174 18295 1 . PRO 175 175 18295 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 18295 _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 $metGCSFA38G . 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 ; . . 18295 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 18295 _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 $metGCSFA38G . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15b10 . . . . . . 18295 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18295 _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 metGCSFA38G '[U-99% 13C; U-99% 15N]' . . 1 $metGCSFA38G . . 1 . . mM . . . . 18295 1 2 'sodium acetate' 'natural abundance' . . . . . . 25 . . mM . . . . 18295 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18295 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18295 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 18295 _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 18295 1 pressure 1 . atm 18295 1 temperature 298 . K 18295 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18295 _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' . . 18295 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18295 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18295 _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' . . 18295 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18295 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18295 _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' . . 18295 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18295 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 18295 _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 18295 _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' . . 18295 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 18295 _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 . . . . . . . . . . . . . . . . 18295 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18295 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18295 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18295 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 18295 _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 . . . . . . . . . 18295 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18295 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18295 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 18295 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 18295 _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' . . . 18295 1 3 '3D HNCACB' . . . 18295 1 4 '3D CBCA(CO)NH' . . . 18295 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 13 172.1066 0.3 . 1 . . . . 0 MET C . 18295 1 2 . 1 1 1 1 MET CA C 13 54.9061 0.3 . 1 . . . . 0 MET CA . 18295 1 3 . 1 1 1 1 MET CB C 13 32.3751 0.3 . 1 . . . . 0 MET CB . 18295 1 4 . 1 1 2 2 THR H H 1 8.6142 0.03 . 1 . . . . 1 THR HN . 18295 1 5 . 1 1 2 2 THR CA C 13 60.0605 0.3 . 1 . . . . 1 THR CA . 18295 1 6 . 1 1 2 2 THR CB C 13 69.8520 0.3 . 1 . . . . 1 THR CB . 18295 1 7 . 1 1 2 2 THR N N 15 121.0435 0.5 . 1 . . . . 1 THR N . 18295 1 8 . 1 1 3 3 PRO C C 13 176.5764 0.3 . 1 . . . . 2 PRO C . 18295 1 9 . 1 1 3 3 PRO CA C 13 63.0328 0.3 . 1 . . . . 2 PRO CA . 18295 1 10 . 1 1 3 3 PRO CB C 13 31.8622 0.3 . 1 . . . . 2 PRO CB . 18295 1 11 . 1 1 4 4 LEU H H 1 8.2777 0.03 . 1 . . . . 3 LEU HN . 18295 1 12 . 1 1 4 4 LEU C C 13 177.4763 0.3 . 1 . . . . 3 LEU C . 18295 1 13 . 1 1 4 4 LEU CA C 13 55.0874 0.3 . 1 . . . . 3 LEU CA . 18295 1 14 . 1 1 4 4 LEU CB C 13 42.3947 0.3 . 1 . . . . 3 LEU CB . 18295 1 15 . 1 1 4 4 LEU N N 15 122.51154 0.5 . 1 . . . . 3 LEU N . 18295 1 16 . 1 1 5 5 GLY H H 1 8.1181 0.03 . 1 . . . . 4 GLY HN . 18295 1 17 . 1 1 5 5 GLY CA C 13 44.5732 0.3 . 1 . . . . 4 GLY CA . 18295 1 18 . 1 1 5 5 GLY N N 15 109.4729 0.5 . 1 . . . . 4 GLY N . 18295 1 19 . 1 1 6 6 PRO C C 13 176.6128 0.3 . 1 . . . . 5 PRO C . 18295 1 20 . 1 1 6 6 PRO CA C 13 62.7885 0.3 . 1 . . . . 5 PRO CA . 18295 1 21 . 1 1 6 6 PRO CB C 13 33.1860 0.3 . 1 . . . . 5 PRO CB . 18295 1 22 . 1 1 7 7 ALA H H 1 8.4656 0.03 . 1 . . . . 6 ALA HN . 18295 1 23 . 1 1 7 7 ALA C C 13 177.4776 0.3 . 1 . . . . 6 ALA C . 18295 1 24 . 1 1 7 7 ALA CA C 13 52.5278 0.3 . 1 . . . . 6 ALA CA . 18295 1 25 . 1 1 7 7 ALA CB C 13 18.9081 0.3 . 1 . . . . 6 ALA CB . 18295 1 26 . 1 1 7 7 ALA N N 15 124.1178 0.5 . 1 . . . . 6 ALA N . 18295 1 27 . 1 1 8 8 SER H H 1 8.2182 0.03 . 1 . . . . 7 SER HN . 18295 1 28 . 1 1 8 8 SER C C 13 173.8553 0.3 . 1 . . . . 7 SER C . 18295 1 29 . 1 1 8 8 SER CA C 13 58.2685 0.3 . 1 . . . . 7 SER CA . 18295 1 30 . 1 1 8 8 SER CB C 13 63.9022 0.3 . 1 . . . . 7 SER CB . 18295 1 31 . 1 1 8 8 SER N N 15 114.2967 0.5 . 1 . . . . 7 SER N . 18295 1 32 . 1 1 9 9 SER H H 1 7.9746 0.03 . 1 . . . . 8 SER HN . 18295 1 33 . 1 1 9 9 SER C C 13 173.4555 0.3 . 1 . . . . 8 SER C . 18295 1 34 . 1 1 9 9 SER CA C 13 57.9127 0.3 . 1 . . . . 8 SER CA . 18295 1 35 . 1 1 9 9 SER CB C 13 64.1504 0.3 . 1 . . . . 8 SER CB . 18295 1 36 . 1 1 9 9 SER N N 15 116.2317 0.5 . 1 . . . . 8 SER N . 18295 1 37 . 1 1 10 10 LEU H H 1 8.3430 0.03 . 1 . . . . 9 LEU HN . 18295 1 38 . 1 1 10 10 LEU HD11 H 1 0.0000 0.03 . 2 . . . . 9 LEU HD11 . 18295 1 39 . 1 1 10 10 LEU HD12 H 1 0.0000 0.03 . 2 . . . . 9 LEU HD11 . 18295 1 40 . 1 1 10 10 LEU HD13 H 1 0.0000 0.03 . 2 . . . . 9 LEU HD11 . 18295 1 41 . 1 1 10 10 LEU CA C 13 51.9170 0.3 . 1 . . . . 9 LEU CA . 18295 1 42 . 1 1 10 10 LEU CB C 13 42.4097 0.3 . 1 . . . . 9 LEU CB . 18295 1 43 . 1 1 10 10 LEU N N 15 121.9238 0.5 . 1 . . . . 9 LEU N . 18295 1 44 . 1 1 11 11 PRO C C 13 178.0293 0.3 . 1 . . . . 10 PRO C . 18295 1 45 . 1 1 11 11 PRO CA C 13 62.4987 0.3 . 1 . . . . 10 PRO CA . 18295 1 46 . 1 1 11 11 PRO CB C 13 31.7462 0.3 . 1 . . . . 10 PRO CB . 18295 1 47 . 1 1 12 12 GLN H H 1 9.0357 0.03 . 1 . . . . 11 GLN HN . 18295 1 48 . 1 1 12 12 GLN C C 13 178.0794 0.3 . 1 . . . . 11 GLN C . 18295 1 49 . 1 1 12 12 GLN CA C 13 59.3330 0.3 . 1 . . . . 11 GLN CA . 18295 1 50 . 1 1 12 12 GLN CB C 13 28.0816 0.3 . 1 . . . . 11 GLN CB . 18295 1 51 . 1 1 12 12 GLN N N 15 125.3526 0.5 . 1 . . . . 11 GLN N . 18295 1 52 . 1 1 13 13 SER H H 1 8.7738 0.03 . 1 . . . . 12 SER HN . 18295 1 53 . 1 1 13 13 SER HG H 1 8.3350 0 . 1 . . . . 12 SER O . 18295 1 54 . 1 1 13 13 SER C C 13 177.0229 0.3 . 1 . . . . 12 SER C . 18295 1 55 . 1 1 13 13 SER CA C 13 61.0227 0.3 . 1 . . . . 12 SER CA . 18295 1 56 . 1 1 13 13 SER CB C 13 61.2936 0.3 . 1 . . . . 12 SER CB . 18295 1 57 . 1 1 13 13 SER N N 15 112.3773 0.5 . 1 . . . . 12 SER N . 18295 1 58 . 1 1 14 14 PHE H H 1 6.9685 0.03 . 1 . . . . 13 PHE HN . 18295 1 59 . 1 1 14 14 PHE C C 13 176.6537 0.3 . 1 . . . . 13 PHE C . 18295 1 60 . 1 1 14 14 PHE CA C 13 60.0800 0.3 . 1 . . . . 13 PHE CA . 18295 1 61 . 1 1 14 14 PHE CB C 13 38.8513 0.3 . 1 . . . . 13 PHE CB . 18295 1 62 . 1 1 14 14 PHE N N 15 122.8130 0.5 . 1 . . . . 13 PHE N . 18295 1 63 . 1 1 15 15 LEU H H 1 7.6302 0.03 . 1 . . . . 14 LEU HN . 18295 1 64 . 1 1 15 15 LEU C C 13 178.4264 0.3 . 1 . . . . 14 LEU C . 18295 1 65 . 1 1 15 15 LEU CA C 13 58.2456 0.3 . 1 . . . . 14 LEU CA . 18295 1 66 . 1 1 15 15 LEU CB C 13 41.5699 0.3 . 1 . . . . 14 LEU CB . 18295 1 67 . 1 1 15 15 LEU N N 15 121.3374 0.5 . 1 . . . . 14 LEU N . 18295 1 68 . 1 1 16 16 LEU H H 1 8.3901 0.03 . 1 . . . . 15 LEU HN . 18295 1 69 . 1 1 16 16 LEU C C 13 179.7795 0.3 . 1 . . . . 15 LEU C . 18295 1 70 . 1 1 16 16 LEU CA C 13 58.1497 0.3 . 1 . . . . 15 LEU CA . 18295 1 71 . 1 1 16 16 LEU CB C 13 40.9866 0.3 . 1 . . . . 15 LEU CB . 18295 1 72 . 1 1 16 16 LEU N N 15 117.1783 0.5 . 1 . . . . 15 LEU N . 18295 1 73 . 1 1 17 17 LYS H H 1 7.4460 0.03 . 1 . . . . 16 LYS HN . 18295 1 74 . 1 1 17 17 LYS C C 13 179.1296 0.3 . 1 . . . . 16 LYS C . 18295 1 75 . 1 1 17 17 LYS CA C 13 59.1745 0.3 . 1 . . . . 16 LYS CA . 18295 1 76 . 1 1 17 17 LYS CB C 13 31.6222 0.3 . 1 . . . . 16 LYS CB . 18295 1 77 . 1 1 17 17 LYS N N 15 120.5910 0.5 . 1 . . . . 16 LYS N . 18295 1 78 . 1 1 18 18 CYS H H 1 8.0250 0.03 . 1 . . . . 17 CYS HN . 18295 1 79 . 1 1 18 18 CYS C C 13 176.5620 0.3 . 1 . . . . 17 CYS C . 18295 1 80 . 1 1 18 18 CYS CA C 13 63.9780 0.3 . 1 . . . . 17 CYS CA . 18295 1 81 . 1 1 18 18 CYS CB C 13 27.6120 0.3 . 1 . . . . 17 CYS CB . 18295 1 82 . 1 1 18 18 CYS N N 15 116.5769 0.5 . 1 . . . . 17 CYS N . 18295 1 83 . 1 1 19 19 LEU H H 1 8.0746 0.03 . 1 . . . . 18 LEU HN . 18295 1 84 . 1 1 19 19 LEU C C 13 179.0050 0.3 . 1 . . . . 18 LEU C . 18295 1 85 . 1 1 19 19 LEU CA C 13 58.5461 0.3 . 1 . . . . 18 LEU CA . 18295 1 86 . 1 1 19 19 LEU CB C 13 40.7153 0.3 . 1 . . . . 18 LEU CB . 18295 1 87 . 1 1 19 19 LEU N N 15 118.9644 0.5 . 1 . . . . 18 LEU N . 18295 1 88 . 1 1 20 20 GLU H H 1 7.5878 0.03 . 1 . . . . 19 GLU HN . 18295 1 89 . 1 1 20 20 GLU C C 13 179.1534 0.3 . 1 . . . . 19 GLU C . 18295 1 90 . 1 1 20 20 GLU CA C 13 58.7685 0.3 . 1 . . . . 19 GLU CA . 18295 1 91 . 1 1 20 20 GLU CB C 13 27.8293 0.3 . 1 . . . . 19 GLU CB . 18295 1 92 . 1 1 20 20 GLU N N 15 118.1273 0.5 . 1 . . . . 19 GLU N . 18295 1 93 . 1 1 21 21 GLN H H 1 8.0775 0.03 . 1 . . . . 20 GLN HN . 18295 1 94 . 1 1 21 21 GLN C C 13 178.5862 0.3 . 1 . . . . 20 GLN C . 18295 1 95 . 1 1 21 21 GLN CA C 13 59.3051 0.3 . 1 . . . . 20 GLN CA . 18295 1 96 . 1 1 21 21 GLN CB C 13 27.5920 0.3 . 1 . . . . 20 GLN CB . 18295 1 97 . 1 1 21 21 GLN N N 15 120.8662 0.5 . 1 . . . . 20 GLN N . 18295 1 98 . 1 1 22 22 VAL H H 1 8.3415 0.03 . 1 . . . . 21 VAL HN . 18295 1 99 . 1 1 22 22 VAL C C 13 177.3656 0.3 . 1 . . . . 21 VAL C . 18295 1 100 . 1 1 22 22 VAL CA C 13 67.4747 0.3 . 1 . . . . 21 VAL CA . 18295 1 101 . 1 1 22 22 VAL CB C 13 31.0234 0.3 . 1 . . . . 21 VAL CB . 18295 1 102 . 1 1 22 22 VAL N N 15 119.7243 0.5 . 1 . . . . 21 VAL N . 18295 1 103 . 1 1 23 23 ARG H H 1 7.4960 0.03 . 1 . . . . 22 ARG HN . 18295 1 104 . 1 1 23 23 ARG C C 13 179.7109 0.3 . 1 . . . . 22 ARG C . 18295 1 105 . 1 1 23 23 ARG CA C 13 58.6137 0.3 . 1 . . . . 22 ARG CA . 18295 1 106 . 1 1 23 23 ARG CB C 13 29.5875 0.3 . 1 . . . . 22 ARG CB . 18295 1 107 . 1 1 23 23 ARG N N 15 117.6750 0.5 . 1 . . . . 22 ARG N . 18295 1 108 . 1 1 24 24 LYS H H 1 7.7942 0.03 . 1 . . . . 23 LYS HN . 18295 1 109 . 1 1 24 24 LYS C C 13 179.0139 0.3 . 1 . . . . 23 LYS C . 18295 1 110 . 1 1 24 24 LYS CA C 13 59.1726 0.3 . 1 . . . . 23 LYS CA . 18295 1 111 . 1 1 24 24 LYS CB C 13 32.3919 0.3 . 1 . . . . 23 LYS CB . 18295 1 112 . 1 1 24 24 LYS N N 15 121.6460 0.5 . 1 . . . . 23 LYS N . 18295 1 113 . 1 1 25 25 ILE H H 1 8.1584 0.03 . 1 . . . . 24 ILE HN . 18295 1 114 . 1 1 25 25 ILE C C 13 177.1206 0.3 . 1 . . . . 24 ILE C . 18295 1 115 . 1 1 25 25 ILE CA C 13 64.9167 0.3 . 1 . . . . 24 ILE CA . 18295 1 116 . 1 1 25 25 ILE CB C 13 37.1610 0.3 . 1 . . . . 24 ILE CB . 18295 1 117 . 1 1 25 25 ILE N N 15 119.4630 0.5 . 1 . . . . 24 ILE N . 18295 1 118 . 1 1 26 26 GLN H H 1 8.6993 0.03 . 1 . . . . 25 GLN HN . 18295 1 119 . 1 1 26 26 GLN C C 13 180.2954 0.3 . 1 . . . . 25 GLN C . 18295 1 120 . 1 1 26 26 GLN CA C 13 59.3202 0.3 . 1 . . . . 25 GLN CA . 18295 1 121 . 1 1 26 26 GLN CB C 13 28.3716 0.3 . 1 . . . . 25 GLN CB . 18295 1 122 . 1 1 26 26 GLN N N 15 121.6309 0.5 . 1 . . . . 25 GLN N . 18295 1 123 . 1 1 27 27 GLY H H 1 7.9239 0.03 . 1 . . . . 26 GLY HN . 18295 1 124 . 1 1 27 27 GLY C C 13 176.9500 0.3 . 1 . . . . 26 GLY C . 18295 1 125 . 1 1 27 27 GLY CA C 13 47.0328 0.3 . 1 . . . . 26 GLY CA . 18295 1 126 . 1 1 27 27 GLY N N 15 107.6068 0.5 . 1 . . . . 26 GLY N . 18295 1 127 . 1 1 28 28 ASP H H 1 8.3710 0.03 . 1 . . . . 27 ASP HN . 18295 1 128 . 1 1 28 28 ASP C C 13 179.4317 0.3 . 1 . . . . 27 ASP C . 18295 1 129 . 1 1 28 28 ASP CA C 13 55.8011 0.3 . 1 . . . . 27 ASP CA . 18295 1 130 . 1 1 28 28 ASP CB C 13 39.2576 0.3 . 1 . . . . 27 ASP CB . 18295 1 131 . 1 1 28 28 ASP N N 15 124.2000 0.5 . 1 . . . . 27 ASP N . 18295 1 132 . 1 1 29 29 GLY H H 1 9.2060 0.03 . 1 . . . . 28 GLY HN . 18295 1 133 . 1 1 29 29 GLY CA C 13 46.6725 0.3 . 1 . . . . 28 GLY CA . 18295 1 134 . 1 1 29 29 GLY N N 15 109.4084 0.5 . 1 . . . . 28 GLY N . 18295 1 135 . 1 1 30 30 ALA C C 13 174.9626 0.3 . 1 . . . . 29 ALA C . 18295 1 136 . 1 1 31 31 ALA H H 1 8.1277 0.03 . 1 . . . . 30 ALA HN . 18295 1 137 . 1 1 31 31 ALA C C 13 180.4605 0.3 . 1 . . . . 30 ALA C . 18295 1 138 . 1 1 31 31 ALA CA C 13 54.8231 0.3 . 1 . . . . 30 ALA CA . 18295 1 139 . 1 1 31 31 ALA CB C 13 17.3493 0.3 . 1 . . . . 30 ALA CB . 18295 1 140 . 1 1 31 31 ALA N N 15 125.5896 0.5 . 1 . . . . 30 ALA N . 18295 1 141 . 1 1 32 32 LEU H H 1 7.4843 0.03 . 1 . . . . 31 LEU HN . 18295 1 142 . 1 1 32 32 LEU C C 13 177.9480 0.3 . 1 . . . . 31 LEU C . 18295 1 143 . 1 1 32 32 LEU CA C 13 58.2193 0.3 . 1 . . . . 31 LEU CA . 18295 1 144 . 1 1 32 32 LEU CB C 13 41.3966 0.3 . 1 . . . . 31 LEU CB . 18295 1 145 . 1 1 32 32 LEU N N 15 118.5061 0.5 . 1 . . . . 31 LEU N . 18295 1 146 . 1 1 33 33 GLN H H 1 8.4275 0.03 . 1 . . . . 32 GLN HN . 18295 1 147 . 1 1 33 33 GLN C C 13 179.0390 0.3 . 1 . . . . 32 GLN C . 18295 1 148 . 1 1 33 33 GLN CA C 13 59.9914 0.3 . 1 . . . . 32 GLN CA . 18295 1 149 . 1 1 33 33 GLN CB C 13 29.0259 0.3 . 1 . . . . 32 GLN CB . 18295 1 150 . 1 1 33 33 GLN N N 15 118.0483 0.5 . 1 . . . . 32 GLN N . 18295 1 151 . 1 1 34 34 GLU H H 1 8.5898 0.03 . 1 . . . . 33 GLU HN . 18295 1 152 . 1 1 34 34 GLU C C 13 179.3324 0.3 . 1 . . . . 33 GLU C . 18295 1 153 . 1 1 34 34 GLU CA C 13 58.7260 0.3 . 1 . . . . 33 GLU CA . 18295 1 154 . 1 1 34 34 GLU CB C 13 27.6407 0.3 . 1 . . . . 33 GLU CB . 18295 1 155 . 1 1 34 34 GLU N N 15 119.8561 0.5 . 1 . . . . 33 GLU N . 18295 1 156 . 1 1 35 35 LYS H H 1 7.8880 0.03 . 1 . . . . 34 LYS HN . 18295 1 157 . 1 1 35 35 LYS C C 13 179.8114 0.3 . 1 . . . . 34 LYS C . 18295 1 158 . 1 1 35 35 LYS CA C 13 58.9464 0.3 . 1 . . . . 34 LYS CA . 18295 1 159 . 1 1 35 35 LYS CB C 13 32.4851 0.3 . 1 . . . . 34 LYS CB . 18295 1 160 . 1 1 35 35 LYS N N 15 120.7917 0.5 . 1 . . . . 34 LYS N . 18295 1 161 . 1 1 36 36 LEU H H 1 8.4724 0.03 . 1 . . . . 35 LEU HN . 18295 1 162 . 1 1 36 36 LEU C C 13 178.8226 0.3 . 1 . . . . 35 LEU C . 18295 1 163 . 1 1 36 36 LEU CA C 13 58.7961 0.3 . 1 . . . . 35 LEU CA . 18295 1 164 . 1 1 36 36 LEU CB C 13 41.4984 0.3 . 1 . . . . 35 LEU CB . 18295 1 165 . 1 1 36 36 LEU N N 15 121.3592 0.5 . 1 . . . . 35 LEU N . 18295 1 166 . 1 1 37 37 CYS H H 1 7.9846 0.03 . 1 . . . . 36 CYS HN . 18295 1 167 . 1 1 37 37 CYS CA C 13 56.9065 0.3 . 1 . . . . 36 CYS CA . 18295 1 168 . 1 1 37 37 CYS CB C 13 37.6149 0.3 . 1 . . . . 36 CYS CB . 18295 1 169 . 1 1 37 37 CYS N N 15 117.3595 0.5 . 1 . . . . 36 CYS N . 18295 1 170 . 1 1 39 39 THR C C 13 175.1557 0.3 . 1 . . . . 38 THR C . 18295 1 171 . 1 1 39 39 THR CA C 13 65.3346 0.3 . 1 . . . . 38 THR CA . 18295 1 172 . 1 1 39 39 THR CB C 13 69.1710 0.3 . 1 . . . . 38 THR CB . 18295 1 173 . 1 1 40 40 TYR H H 1 6.9229 0.03 . 1 . . . . 39 TYR HN . 18295 1 174 . 1 1 40 40 TYR C C 13 174.5307 0.3 . 1 . . . . 39 TYR C . 18295 1 175 . 1 1 40 40 TYR CA C 13 56.9952 0.3 . 1 . . . . 39 TYR CA . 18295 1 176 . 1 1 40 40 TYR CB C 13 38.8929 0.3 . 1 . . . . 39 TYR CB . 18295 1 177 . 1 1 40 40 TYR N N 15 115.5364 0.5 . 1 . . . . 39 TYR N . 18295 1 178 . 1 1 41 41 LYS H H 1 7.5316 0.03 . 1 . . . . 40 LYS HN . 18295 1 179 . 1 1 41 41 LYS C C 13 176.1413 0.3 . 1 . . . . 40 LYS C . 18295 1 180 . 1 1 41 41 LYS CA C 13 57.5553 0.3 . 1 . . . . 40 LYS CA . 18295 1 181 . 1 1 41 41 LYS CB C 13 28.2801 0.3 . 1 . . . . 40 LYS CB . 18295 1 182 . 1 1 41 41 LYS N N 15 114.1400 0.5 . 1 . . . . 40 LYS N . 18295 1 183 . 1 1 42 42 LEU H H 1 7.0804 0.03 . 1 . . . . 41 LEU HN . 18295 1 184 . 1 1 42 42 LEU C C 13 175.6636 0.3 . 1 . . . . 41 LEU C . 18295 1 185 . 1 1 42 42 LEU CA C 13 53.3299 0.3 . 1 . . . . 41 LEU CA . 18295 1 186 . 1 1 42 42 LEU CB C 13 41.7993 0.3 . 1 . . . . 41 LEU CB . 18295 1 187 . 1 1 42 42 LEU N N 15 121.3920 0.5 . 1 . . . . 41 LEU N . 18295 1 188 . 1 1 43 43 CYS H H 1 7.9343 0.03 . 1 . . . . 42 CYS HN . 18295 1 189 . 1 1 43 43 CYS CA C 13 56.9260 0.3 . 1 . . . . 42 CYS CA . 18295 1 190 . 1 1 43 43 CYS CB C 13 42.3030 0.3 . 1 . . . . 42 CYS CB . 18295 1 191 . 1 1 43 43 CYS N N 15 119.5347 0.5 . 1 . . . . 42 CYS N . 18295 1 192 . 1 1 45 45 PRO C C 13 177.7386 0.3 . 1 . . . . 44 PRO C . 18295 1 193 . 1 1 45 45 PRO CA C 13 62.6171 0.3 . 1 . . . . 44 PRO CA . 18295 1 194 . 1 1 46 46 GLU H H 1 8.0449 0.03 . 1 . . . . 45 GLU HN . 18295 1 195 . 1 1 46 46 GLU C C 13 177.7708 0.3 . 1 . . . . 45 GLU C . 18295 1 196 . 1 1 46 46 GLU CA C 13 58.7563 0.3 . 1 . . . . 45 GLU CA . 18295 1 197 . 1 1 46 46 GLU CB C 13 27.5599 0.3 . 1 . . . . 45 GLU CB . 18295 1 198 . 1 1 46 46 GLU N N 15 120.8574 0.5 . 1 . . . . 45 GLU N . 18295 1 199 . 1 1 47 47 GLU H H 1 7.5932 0.03 . 1 . . . . 46 GLU HN . 18295 1 200 . 1 1 47 47 GLU C C 13 177.1100 0.3 . 1 . . . . 46 GLU C . 18295 1 201 . 1 1 47 47 GLU CA C 13 56.8807 0.3 . 1 . . . . 46 GLU CA . 18295 1 202 . 1 1 47 47 GLU CB C 13 28.9758 0.3 . 1 . . . . 46 GLU CB . 18295 1 203 . 1 1 47 47 GLU N N 15 117.3540 0.5 . 1 . . . . 46 GLU N . 18295 1 204 . 1 1 48 48 LEU H H 1 7.6368 0.03 . 1 . . . . 47 LEU HN . 18295 1 205 . 1 1 48 48 LEU C C 13 176.6645 0.3 . 1 . . . . 47 LEU C . 18295 1 206 . 1 1 48 48 LEU CA C 13 54.1046 0.3 . 1 . . . . 47 LEU CA . 18295 1 207 . 1 1 48 48 LEU CB C 13 42.2577 0.3 . 1 . . . . 47 LEU CB . 18295 1 208 . 1 1 48 48 LEU N N 15 118.3500 0.5 . 1 . . . . 47 LEU N . 18295 1 209 . 1 1 49 49 VAL H H 1 7.1224 0.03 . 1 . . . . 48 VAL HN . 18295 1 210 . 1 1 49 49 VAL C C 13 178.1574 0.3 . 1 . . . . 48 VAL C . 18295 1 211 . 1 1 49 49 VAL CA C 13 65.6439 0.3 . 1 . . . . 48 VAL CA . 18295 1 212 . 1 1 49 49 VAL CB C 13 31.7659 0.3 . 1 . . . . 48 VAL CB . 18295 1 213 . 1 1 49 49 VAL N N 15 119.3368 0.5 . 1 . . . . 48 VAL N . 18295 1 214 . 1 1 50 50 LEU H H 1 8.4204 0.03 . 1 . . . . 49 LEU HN . 18295 1 215 . 1 1 50 50 LEU C C 13 179.5378 0.3 . 1 . . . . 49 LEU C . 18295 1 216 . 1 1 50 50 LEU CA C 13 58.0214 0.3 . 1 . . . . 49 LEU CA . 18295 1 217 . 1 1 50 50 LEU CB C 13 40.6308 0.3 . 1 . . . . 49 LEU CB . 18295 1 218 . 1 1 50 50 LEU N N 15 121.8913 0.5 . 1 . . . . 49 LEU N . 18295 1 219 . 1 1 51 51 LEU H H 1 7.9334 0.03 . 1 . . . . 50 LEU HN . 18295 1 220 . 1 1 51 51 LEU C C 13 179.2409 0.3 . 1 . . . . 50 LEU C . 18295 1 221 . 1 1 51 51 LEU CA C 13 57.1392 0.3 . 1 . . . . 50 LEU CA . 18295 1 222 . 1 1 51 51 LEU CB C 13 41.0046 0.3 . 1 . . . . 50 LEU CB . 18295 1 223 . 1 1 51 51 LEU N N 15 122.0871 0.5 . 1 . . . . 50 LEU N . 18295 1 224 . 1 1 52 52 GLY H H 1 8.2186 0.03 . 1 . . . . 51 GLY HN . 18295 1 225 . 1 1 52 52 GLY C C 13 175.7960 0.3 . 1 . . . . 51 GLY C . 18295 1 226 . 1 1 52 52 GLY CA C 13 47.6778 0.3 . 1 . . . . 51 GLY CA . 18295 1 227 . 1 1 52 52 GLY N N 15 105.4197 0.5 . 1 . . . . 51 GLY N . 18295 1 228 . 1 1 53 53 HIS H H 1 7.9516 0.03 . 1 . . . . 52 HIS HN . 18295 1 229 . 1 1 53 53 HIS C C 13 176.9548 0.3 . 1 . . . . 52 HIS C . 18295 1 230 . 1 1 53 53 HIS CA C 13 57.6346 0.3 . 1 . . . . 52 HIS CA . 18295 1 231 . 1 1 53 53 HIS CB C 13 28.1239 0.3 . 1 . . . . 52 HIS CB . 18295 1 232 . 1 1 53 53 HIS N N 15 118.4735 0.5 . 1 . . . . 52 HIS N . 18295 1 233 . 1 1 54 54 SER H H 1 8.4460 0.03 . 1 . . . . 53 SER HN . 18295 1 234 . 1 1 54 54 SER C C 13 175.6581 0.3 . 1 . . . . 53 SER C . 18295 1 235 . 1 1 54 54 SER CA C 13 60.8475 0.3 . 1 . . . . 53 SER CA . 18295 1 236 . 1 1 54 54 SER CB C 13 62.8382 0.3 . 1 . . . . 53 SER CB . 18295 1 237 . 1 1 54 54 SER N N 15 116.8980 0.5 . 1 . . . . 53 SER N . 18295 1 238 . 1 1 55 55 LEU H H 1 8.0087 0.03 . 1 . . . . 54 LEU HN . 18295 1 239 . 1 1 55 55 LEU C C 13 177.3359 0.3 . 1 . . . . 54 LEU C . 18295 1 240 . 1 1 55 55 LEU CA C 13 55.3537 0.3 . 1 . . . . 54 LEU CA . 18295 1 241 . 1 1 55 55 LEU CB C 13 42.8236 0.3 . 1 . . . . 54 LEU CB . 18295 1 242 . 1 1 55 55 LEU N N 15 119.6982 0.5 . 1 . . . . 54 LEU N . 18295 1 243 . 1 1 56 56 GLY H H 1 7.5522 0.03 . 1 . . . . 55 GLY HN . 18295 1 244 . 1 1 56 56 GLY C C 13 174.5326 0.3 . 1 . . . . 55 GLY C . 18295 1 245 . 1 1 56 56 GLY CA C 13 46.3935 0.3 . 1 . . . . 55 GLY CA . 18295 1 246 . 1 1 56 56 GLY N N 15 107.0486 0.5 . 1 . . . . 55 GLY N . 18295 1 247 . 1 1 57 57 ILE H H 1 7.3455 0.03 . 1 . . . . 56 ILE HN . 18295 1 248 . 1 1 57 57 ILE CA C 13 58.9712 0.3 . 1 . . . . 56 ILE CA . 18295 1 249 . 1 1 57 57 ILE CB C 13 38.1797 0.3 . 1 . . . . 56 ILE CB . 18295 1 250 . 1 1 57 57 ILE N N 15 119.5300 0.5 . 1 . . . . 56 ILE N . 18295 1 251 . 1 1 58 58 PRO C C 13 174.4114 0.3 . 1 . . . . 57 PRO C . 18295 1 252 . 1 1 58 58 PRO CA C 13 61.6431 0.3 . 1 . . . . 57 PRO CA . 18295 1 253 . 1 1 58 58 PRO CB C 13 31.0904 0.3 . 1 . . . . 57 PRO CB . 18295 1 254 . 1 1 59 59 TRP H H 1 7.7673 0.03 . 1 . . . . 58 TRP HN . 18295 1 255 . 1 1 59 59 TRP C C 13 176.1180 0.3 . 1 . . . . 58 TRP C . 18295 1 256 . 1 1 59 59 TRP CA C 13 55.0382 0.3 . 1 . . . . 58 TRP CA . 18295 1 257 . 1 1 59 59 TRP CB C 13 30.0244 0.3 . 1 . . . . 58 TRP CB . 18295 1 258 . 1 1 59 59 TRP N N 15 120.1380 0.5 . 1 . . . . 58 TRP N . 18295 1 259 . 1 1 60 60 ALA H H 1 7.1555 0.03 . 1 . . . . 59 ALA HN . 18295 1 260 . 1 1 60 60 ALA CA C 13 49.9567 0.3 . 1 . . . . 59 ALA CA . 18295 1 261 . 1 1 60 60 ALA CB C 13 19.9550 0.3 . 1 . . . . 59 ALA CB . 18295 1 262 . 1 1 60 60 ALA N N 15 125.9544 0.5 . 1 . . . . 59 ALA N . 18295 1 263 . 1 1 61 61 PRO C C 13 176.2231 0.3 . 1 . . . . 60 PRO C . 18295 1 264 . 1 1 61 61 PRO CA C 13 62.2048 0.3 . 1 . . . . 60 PRO CA . 18295 1 265 . 1 1 61 61 PRO CB C 13 33.1262 0.3 . 1 . . . . 60 PRO CB . 18295 1 266 . 1 1 62 62 LEU H H 1 8.4955 0.03 . 1 . . . . 61 LEU HN . 18295 1 267 . 1 1 62 62 LEU C C 13 177.9610 0.3 . 1 . . . . 61 LEU C . 18295 1 268 . 1 1 62 62 LEU CA C 13 54.4326 0.3 . 1 . . . . 61 LEU CA . 18295 1 269 . 1 1 62 62 LEU CB C 13 42.4153 0.3 . 1 . . . . 61 LEU CB . 18295 1 270 . 1 1 62 62 LEU N N 15 120.5053 0.5 . 1 . . . . 61 LEU N . 18295 1 271 . 1 1 63 63 SER H H 1 7.4264 0.03 . 1 . . . . 62 SER HN . 18295 1 272 . 1 1 63 63 SER C C 13 175.9486 0.3 . 1 . . . . 62 SER C . 18295 1 273 . 1 1 63 63 SER CA C 13 59.3172 0.3 . 1 . . . . 62 SER CA . 18295 1 274 . 1 1 63 63 SER CB C 13 63.3478 0.3 . 1 . . . . 62 SER CB . 18295 1 275 . 1 1 63 63 SER N N 15 116.0172 0.5 . 1 . . . . 62 SER N . 18295 1 276 . 1 1 64 64 SER H H 1 9.6972 0.03 . 1 . . . . 63 SER HN . 18295 1 277 . 1 1 64 64 SER C C 13 173.0635 0.3 . 1 . . . . 63 SER C . 18295 1 278 . 1 1 64 64 SER CA C 13 58.6248 0.3 . 1 . . . . 63 SER CA . 18295 1 279 . 1 1 64 64 SER CB C 13 62.7613 0.3 . 1 . . . . 63 SER CB . 18295 1 280 . 1 1 64 64 SER N N 15 118.3711 0.5 . 1 . . . . 63 SER N . 18295 1 281 . 1 1 65 65 CYS H H 1 7.8817 0.03 . 1 . . . . 64 CYS HN . 18295 1 282 . 1 1 65 65 CYS CA C 13 53.3829 0.3 . 1 . . . . 64 CYS CA . 18295 1 283 . 1 1 65 65 CYS CB C 13 43.0731 0.3 . 1 . . . . 64 CYS CB . 18295 1 284 . 1 1 65 65 CYS N N 15 118.0013 0.5 . 1 . . . . 64 CYS N . 18295 1 285 . 1 1 66 66 PRO C C 13 176.0309 0.3 . 1 . . . . 65 PRO C . 18295 1 286 . 1 1 66 66 PRO CA C 13 63.5044 0.3 . 1 . . . . 65 PRO CA . 18295 1 287 . 1 1 66 66 PRO CB C 13 32.1463 0.3 . 1 . . . . 65 PRO CB . 18295 1 288 . 1 1 67 67 SER H H 1 8.2569 0.03 . 1 . . . . 66 SER HN . 18295 1 289 . 1 1 67 67 SER C C 13 174.5983 0.3 . 1 . . . . 66 SER C . 18295 1 290 . 1 1 67 67 SER CA C 13 60.2659 0.3 . 1 . . . . 66 SER CA . 18295 1 291 . 1 1 67 67 SER CB C 13 62.8966 0.3 . 1 . . . . 66 SER CB . 18295 1 292 . 1 1 67 67 SER N N 15 113.0660 0.5 . 1 . . . . 66 SER N . 18295 1 293 . 1 1 68 68 GLN H H 1 7.7596 0.03 . 1 . . . . 67 GLN HN . 18295 1 294 . 1 1 68 68 GLN C C 13 174.5875 0.3 . 1 . . . . 67 GLN C . 18295 1 295 . 1 1 68 68 GLN CA C 13 55.3208 0.3 . 1 . . . . 67 GLN CA . 18295 1 296 . 1 1 68 68 GLN CB C 13 29.5333 0.3 . 1 . . . . 67 GLN CB . 18295 1 297 . 1 1 68 68 GLN N N 15 117.9607 0.5 . 1 . . . . 67 GLN N . 18295 1 298 . 1 1 69 69 ALA H H 1 8.2908 0.03 . 1 . . . . 68 ALA HN . 18295 1 299 . 1 1 69 69 ALA C C 13 176.1268 0.3 . 1 . . . . 68 ALA C . 18295 1 300 . 1 1 69 69 ALA CA C 13 52.4248 0.3 . 1 . . . . 68 ALA CA . 18295 1 301 . 1 1 69 69 ALA CB C 13 17.1936 0.3 . 1 . . . . 68 ALA CB . 18295 1 302 . 1 1 69 69 ALA N N 15 123.3648 0.5 . 1 . . . . 68 ALA N . 18295 1 303 . 1 1 70 70 LEU H H 1 7.7063 0.03 . 1 . . . . 69 LEU HN . 18295 1 304 . 1 1 70 70 LEU C C 13 176.7542 0.3 . 1 . . . . 69 LEU C . 18295 1 305 . 1 1 70 70 LEU CA C 13 56.5366 0.3 . 1 . . . . 69 LEU CA . 18295 1 306 . 1 1 70 70 LEU CB C 13 41.9708 0.3 . 1 . . . . 69 LEU CB . 18295 1 307 . 1 1 70 70 LEU N N 15 120.5672 0.5 . 1 . . . . 69 LEU N . 18295 1 308 . 1 1 71 71 GLN H H 1 8.7048 0.03 . 1 . . . . 70 GLN HN . 18295 1 309 . 1 1 71 71 GLN C C 13 175.9307 0.3 . 1 . . . . 70 GLN C . 18295 1 310 . 1 1 71 71 GLN CA C 13 54.4290 0.3 . 1 . . . . 70 GLN CA . 18295 1 311 . 1 1 71 71 GLN CB C 13 28.4637 0.3 . 1 . . . . 70 GLN CB . 18295 1 312 . 1 1 71 71 GLN N N 15 125.6137 0.5 . 1 . . . . 70 GLN N . 18295 1 313 . 1 1 72 72 LEU H H 1 8.5835 0.03 . 1 . . . . 71 LEU HN . 18295 1 314 . 1 1 72 72 LEU C C 13 177.7338 0.3 . 1 . . . . 71 LEU C . 18295 1 315 . 1 1 72 72 LEU CA C 13 59.1335 0.3 . 1 . . . . 71 LEU CA . 18295 1 316 . 1 1 72 72 LEU CB C 13 41.9593 0.3 . 1 . . . . 71 LEU CB . 18295 1 317 . 1 1 72 72 LEU N N 15 126.0886 0.5 . 1 . . . . 71 LEU N . 18295 1 318 . 1 1 73 73 ALA H H 1 8.8054 0.03 . 1 . . . . 72 ALA HN . 18295 1 319 . 1 1 73 73 ALA C C 13 180.6056 0.3 . 1 . . . . 72 ALA C . 18295 1 320 . 1 1 73 73 ALA CA C 13 56.1499 0.3 . 1 . . . . 72 ALA CA . 18295 1 321 . 1 1 73 73 ALA CB C 13 17.4774 0.3 . 1 . . . . 72 ALA CB . 18295 1 322 . 1 1 73 73 ALA N N 15 120.0063 0.5 . 1 . . . . 72 ALA N . 18295 1 323 . 1 1 74 74 GLY H H 1 7.8007 0.03 . 1 . . . . 73 GLY HN . 18295 1 324 . 1 1 74 74 GLY C C 13 175.9979 0.3 . 1 . . . . 73 GLY C . 18295 1 325 . 1 1 74 74 GLY CA C 13 46.9124 0.3 . 1 . . . . 73 GLY CA . 18295 1 326 . 1 1 74 74 GLY N N 15 105.8810 0.5 . 1 . . . . 73 GLY N . 18295 1 327 . 1 1 75 75 CYS H H 1 8.1634 0.03 . 1 . . . . 74 CYS HN . 18295 1 328 . 1 1 75 75 CYS C C 13 176.0482 0.3 . 1 . . . . 74 CYS C . 18295 1 329 . 1 1 75 75 CYS CA C 13 58.3651 0.3 . 1 . . . . 74 CYS CA . 18295 1 330 . 1 1 75 75 CYS CB C 13 38.7243 0.3 . 1 . . . . 74 CYS CB . 18295 1 331 . 1 1 75 75 CYS N N 15 120.2120 0.5 . 1 . . . . 74 CYS N . 18295 1 332 . 1 1 76 76 LEU H H 1 8.7019 0.03 . 1 . . . . 75 LEU HN . 18295 1 333 . 1 1 76 76 LEU C C 13 178.7729 0.3 . 1 . . . . 75 LEU C . 18295 1 334 . 1 1 76 76 LEU CA C 13 58.4999 0.3 . 1 . . . . 75 LEU CA . 18295 1 335 . 1 1 76 76 LEU CB C 13 40.4965 0.3 . 1 . . . . 75 LEU CB . 18295 1 336 . 1 1 76 76 LEU N N 15 117.5806 0.5 . 1 . . . . 75 LEU N . 18295 1 337 . 1 1 77 77 SER H H 1 8.1102 0.03 . 1 . . . . 76 SER HN . 18295 1 338 . 1 1 77 77 SER C C 13 174.9137 0.3 . 1 . . . . 76 SER C . 18295 1 339 . 1 1 77 77 SER CA C 13 59.9224 0.3 . 1 . . . . 76 SER CA . 18295 1 340 . 1 1 77 77 SER CB C 13 63.2306 0.3 . 1 . . . . 76 SER CB . 18295 1 341 . 1 1 77 77 SER N N 15 111.9398 0.5 . 1 . . . . 76 SER N . 18295 1 342 . 1 1 78 78 GLN H H 1 8.1108 0.03 . 1 . . . . 77 GLN HN . 18295 1 343 . 1 1 78 78 GLN C C 13 180.3427 0.3 . 1 . . . . 77 GLN C . 18295 1 344 . 1 1 78 78 GLN CA C 13 59.7228 0.3 . 1 . . . . 77 GLN CA . 18295 1 345 . 1 1 78 78 GLN CB C 13 28.8359 0.3 . 1 . . . . 77 GLN CB . 18295 1 346 . 1 1 78 78 GLN N N 15 119.5348 0.5 . 1 . . . . 77 GLN N . 18295 1 347 . 1 1 79 79 LEU H H 1 8.9132 0.03 . 1 . . . . 78 LEU HN . 18295 1 348 . 1 1 79 79 LEU C C 13 178.4182 0.3 . 1 . . . . 78 LEU C . 18295 1 349 . 1 1 79 79 LEU CA C 13 58.8567 0.3 . 1 . . . . 78 LEU CA . 18295 1 350 . 1 1 79 79 LEU CB C 13 42.1484 0.3 . 1 . . . . 78 LEU CB . 18295 1 351 . 1 1 79 79 LEU N N 15 124.4031 0.5 . 1 . . . . 78 LEU N . 18295 1 352 . 1 1 80 80 HIS H H 1 8.9104 0.03 . 1 . . . . 79 HIS HN . 18295 1 353 . 1 1 80 80 HIS C C 13 176.2625 0.3 . 1 . . . . 79 HIS C . 18295 1 354 . 1 1 80 80 HIS CA C 13 62.3954 0.3 . 1 . . . . 79 HIS CA . 18295 1 355 . 1 1 80 80 HIS CB C 13 28.1998 0.3 . 1 . . . . 79 HIS CB . 18295 1 356 . 1 1 80 80 HIS N N 15 116.3393 0.5 . 1 . . . . 79 HIS N . 18295 1 357 . 1 1 81 81 SER H H 1 9.1102 0.03 . 1 . . . . 80 SER HN . 18295 1 358 . 1 1 81 81 SER C C 13 177.4470 0.3 . 1 . . . . 80 SER C . 18295 1 359 . 1 1 81 81 SER CB C 13 62.2502 0.3 . 1 . . . . 80 SER CB . 18295 1 360 . 1 1 81 81 SER N N 15 114.9907 0.5 . 1 . . . . 80 SER N . 18295 1 361 . 1 1 82 82 GLY H H 1 8.5319 0.03 . 1 . . . . 81 GLY HN . 18295 1 362 . 1 1 82 82 GLY C C 13 174.5597 0.3 . 1 . . . . 81 GLY C . 18295 1 363 . 1 1 82 82 GLY CA C 13 48.0173 0.3 . 1 . . . . 81 GLY CA . 18295 1 364 . 1 1 82 82 GLY N N 15 111.1981 0.5 . 1 . . . . 81 GLY N . 18295 1 365 . 1 1 83 83 LEU H H 1 8.0019 0.03 . 1 . . . . 82 LEU HN . 18295 1 366 . 1 1 83 83 LEU C C 13 178.0619 0.3 . 1 . . . . 82 LEU C . 18295 1 367 . 1 1 83 83 LEU CA C 13 58.1645 0.3 . 1 . . . . 82 LEU CA . 18295 1 368 . 1 1 83 83 LEU CB C 13 42.2247 0.3 . 1 . . . . 82 LEU CB . 18295 1 369 . 1 1 83 83 LEU N N 15 121.1272 0.5 . 1 . . . . 82 LEU N . 18295 1 370 . 1 1 84 84 PHE H H 1 8.0528 0.03 . 1 . . . . 83 PHE HN . 18295 1 371 . 1 1 84 84 PHE C C 13 178.4199 0.3 . 1 . . . . 83 PHE C . 18295 1 372 . 1 1 84 84 PHE CA C 13 60.2671 0.3 . 1 . . . . 83 PHE CA . 18295 1 373 . 1 1 84 84 PHE CB C 13 38.2815 0.3 . 1 . . . . 83 PHE CB . 18295 1 374 . 1 1 84 84 PHE N N 15 119.2360 0.5 . 1 . . . . 83 PHE N . 18295 1 375 . 1 1 85 85 LEU H H 1 7.8799 0.03 . 1 . . . . 84 LEU HN . 18295 1 376 . 1 1 85 85 LEU C C 13 175.5900 0.3 . 1 . . . . 84 LEU C . 18295 1 377 . 1 1 85 85 LEU CA C 13 58.5400 0.3 . 1 . . . . 84 LEU CA . 18295 1 378 . 1 1 85 85 LEU CB C 13 38.7741 0.3 . 1 . . . . 84 LEU CB . 18295 1 379 . 1 1 85 85 LEU N N 15 122.8982 0.5 . 1 . . . . 84 LEU N . 18295 1 380 . 1 1 86 86 TYR H H 1 7.9010 0.03 . 1 . . . . 85 TYR HN . 18295 1 381 . 1 1 86 86 TYR C C 13 178.6447 0.3 . 1 . . . . 85 TYR C . 18295 1 382 . 1 1 86 86 TYR CA C 13 64.7762 0.3 . 1 . . . . 85 TYR CA . 18295 1 383 . 1 1 86 86 TYR CB C 13 37.1908 0.3 . 1 . . . . 85 TYR CB . 18295 1 384 . 1 1 86 86 TYR N N 15 122.5900 0.5 . 1 . . . . 85 TYR N . 18295 1 385 . 1 1 87 87 GLN H H 1 8.7557 0.03 . 1 . . . . 86 GLN HN . 18295 1 386 . 1 1 87 87 GLN C C 13 178.5601 0.3 . 1 . . . . 86 GLN C . 18295 1 387 . 1 1 87 87 GLN CA C 13 60.2273 0.3 . 1 . . . . 86 GLN CA . 18295 1 388 . 1 1 87 87 GLN CB C 13 28.6897 0.3 . 1 . . . . 86 GLN CB . 18295 1 389 . 1 1 87 87 GLN N N 15 119.9240 0.5 . 1 . . . . 86 GLN N . 18295 1 390 . 1 1 88 88 GLY H H 1 7.6104 0.03 . 1 . . . . 87 GLY HN . 18295 1 391 . 1 1 88 88 GLY CA C 13 47.0338 0.3 . 1 . . . . 87 GLY CA . 18295 1 392 . 1 1 88 88 GLY N N 15 107.2958 0.5 . 1 . . . . 87 GLY N . 18295 1 393 . 1 1 89 89 LEU C C 13 178.0396 0.3 . 1 . . . . 88 LEU C . 18295 1 394 . 1 1 89 89 LEU CA C 13 57.9430 0.3 . 1 . . . . 88 LEU CA . 18295 1 395 . 1 1 89 89 LEU CB C 13 42.9643 0.3 . 1 . . . . 88 LEU CB . 18295 1 396 . 1 1 90 90 LEU H H 1 8.3689 0.03 . 1 . . . . 89 LEU HN . 18295 1 397 . 1 1 90 90 LEU C C 13 180.1428 0.3 . 1 . . . . 89 LEU C . 18295 1 398 . 1 1 90 90 LEU CA C 13 57.6084 0.3 . 1 . . . . 89 LEU CA . 18295 1 399 . 1 1 90 90 LEU CB C 13 41.2776 0.3 . 1 . . . . 89 LEU CB . 18295 1 400 . 1 1 90 90 LEU N N 15 115.4524 0.5 . 1 . . . . 89 LEU N . 18295 1 401 . 1 1 91 91 GLN H H 1 7.8676 0.03 . 1 . . . . 90 GLN HN . 18295 1 402 . 1 1 91 91 GLN C C 13 178.6943 0.3 . 1 . . . . 90 GLN C . 18295 1 403 . 1 1 91 91 GLN CA C 13 58.6874 0.3 . 1 . . . . 90 GLN CA . 18295 1 404 . 1 1 91 91 GLN CB C 13 28.1357 0.3 . 1 . . . . 90 GLN CB . 18295 1 405 . 1 1 91 91 GLN N N 15 119.5444 0.5 . 1 . . . . 90 GLN N . 18295 1 406 . 1 1 92 92 ALA H H 1 7.7810 0.03 . 1 . . . . 91 ALA HN . 18295 1 407 . 1 1 92 92 ALA C C 13 177.9083 0.3 . 1 . . . . 91 ALA C . 18295 1 408 . 1 1 92 92 ALA CA C 13 53.9568 0.3 . 1 . . . . 91 ALA CA . 18295 1 409 . 1 1 92 92 ALA CB C 13 17.5364 0.3 . 1 . . . . 91 ALA CB . 18295 1 410 . 1 1 92 92 ALA N N 15 121.5213 0.5 . 1 . . . . 91 ALA N . 18295 1 411 . 1 1 93 93 LEU H H 1 7.1536 0.03 . 1 . . . . 92 LEU HN . 18295 1 412 . 1 1 93 93 LEU C C 13 176.6433 0.3 . 1 . . . . 92 LEU C . 18295 1 413 . 1 1 93 93 LEU CA C 13 55.7061 0.3 . 1 . . . . 92 LEU CA . 18295 1 414 . 1 1 93 93 LEU CB C 13 41.1383 0.3 . 1 . . . . 92 LEU CB . 18295 1 415 . 1 1 93 93 LEU N N 15 115.7809 0.5 . 1 . . . . 92 LEU N . 18295 1 416 . 1 1 94 94 GLU H H 1 7.8324 0.03 . 1 . . . . 93 GLU HN . 18295 1 417 . 1 1 94 94 GLU C C 13 176.6229 0.3 . 1 . . . . 93 GLU C . 18295 1 418 . 1 1 94 94 GLU CA C 13 56.3292 0.3 . 1 . . . . 93 GLU CA . 18295 1 419 . 1 1 94 94 GLU CB C 13 26.0211 0.3 . 1 . . . . 93 GLU CB . 18295 1 420 . 1 1 94 94 GLU N N 15 115.0512 0.5 . 1 . . . . 93 GLU N . 18295 1 421 . 1 1 95 95 GLY H H 1 8.8897 0.03 . 1 . . . . 94 GLY HN . 18295 1 422 . 1 1 95 95 GLY C C 13 173.7258 0.3 . 1 . . . . 94 GLY C . 18295 1 423 . 1 1 95 95 GLY CA C 13 46.0475 0.3 . 1 . . . . 94 GLY CA . 18295 1 424 . 1 1 95 95 GLY N N 15 107.1339 0.5 . 1 . . . . 94 GLY N . 18295 1 425 . 1 1 96 96 ILE H H 1 7.5088 0.03 . 1 . . . . 95 ILE HN . 18295 1 426 . 1 1 96 96 ILE N N 15 110.5926 0.5 . 1 . . . . 95 ILE N . 18295 1 427 . 1 1 98 98 PRO C C 13 178.9868 0.3 . 1 . . . . 97 PRO C . 18295 1 428 . 1 1 98 98 PRO CA C 13 65.6802 0.3 . 1 . . . . 97 PRO CA . 18295 1 429 . 1 1 98 98 PRO CB C 13 31.5921 0.3 . 1 . . . . 97 PRO CB . 18295 1 430 . 1 1 99 99 GLU H H 1 8.7746 0.03 . 1 . . . . 98 GLU HN . 18295 1 431 . 1 1 99 99 GLU C C 13 177.3337 0.3 . 1 . . . . 98 GLU C . 18295 1 432 . 1 1 99 99 GLU CA C 13 58.5730 0.3 . 1 . . . . 98 GLU CA . 18295 1 433 . 1 1 99 99 GLU CB C 13 28.0391 0.3 . 1 . . . . 98 GLU CB . 18295 1 434 . 1 1 99 99 GLU N N 15 115.1795 0.5 . 1 . . . . 98 GLU N . 18295 1 435 . 1 1 100 100 LEU H H 1 7.6769 0.03 . 1 . . . . 99 LEU HN . 18295 1 436 . 1 1 100 100 LEU C C 13 176.9322 0.3 . 1 . . . . 99 LEU C . 18295 1 437 . 1 1 100 100 LEU CA C 13 54.5039 0.3 . 1 . . . . 99 LEU CA . 18295 1 438 . 1 1 100 100 LEU CB C 13 42.4005 0.3 . 1 . . . . 99 LEU CB . 18295 1 439 . 1 1 100 100 LEU N N 15 121.0856 0.5 . 1 . . . . 99 LEU N . 18295 1 440 . 1 1 101 101 GLY H H 1 7.8175 0.03 . 1 . . . . 100 GLY HN . 18295 1 441 . 1 1 101 101 GLY CA C 13 48.9504 0.3 . 1 . . . . 100 GLY CA . 18295 1 442 . 1 1 101 101 GLY N N 15 108.0963 0.5 . 1 . . . . 100 GLY N . 18295 1 443 . 1 1 102 102 PRO C C 13 179.1382 0.3 . 1 . . . . 101 PRO C . 18295 1 444 . 1 1 102 102 PRO CA C 13 65.7308 0.3 . 1 . . . . 101 PRO CA . 18295 1 445 . 1 1 102 102 PRO CB C 13 31.7300 0.3 . 1 . . . . 101 PRO CB . 18295 1 446 . 1 1 103 103 THR H H 1 7.4824 0.03 . 1 . . . . 102 THR HN . 18295 1 447 . 1 1 103 103 THR C C 13 177.0510 0.3 . 1 . . . . 102 THR C . 18295 1 448 . 1 1 103 103 THR CA C 13 66.6790 0.3 . 1 . . . . 102 THR CA . 18295 1 449 . 1 1 103 103 THR CB C 13 68.3725 0.3 . 1 . . . . 102 THR CB . 18295 1 450 . 1 1 103 103 THR N N 15 114.1585 0.5 . 1 . . . . 102 THR N . 18295 1 451 . 1 1 104 104 LEU H H 1 8.1835 0.03 . 1 . . . . 103 LEU HN . 18295 1 452 . 1 1 104 104 LEU C C 13 177.9745 0.3 . 1 . . . . 103 LEU C . 18295 1 453 . 1 1 104 104 LEU CA C 13 57.7355 0.3 . 1 . . . . 103 LEU CA . 18295 1 454 . 1 1 104 104 LEU CB C 13 41.0590 0.3 . 1 . . . . 103 LEU CB . 18295 1 455 . 1 1 104 104 LEU N N 15 124.6874 0.5 . 1 . . . . 103 LEU N . 18295 1 456 . 1 1 105 105 ASP H H 1 8.9918 0.03 . 1 . . . . 104 ASP HN . 18295 1 457 . 1 1 105 105 ASP C C 13 177.9228 0.3 . 1 . . . . 104 ASP C . 18295 1 458 . 1 1 105 105 ASP CA C 13 56.5685 0.3 . 1 . . . . 104 ASP CA . 18295 1 459 . 1 1 105 105 ASP CB C 13 38.0127 0.3 . 1 . . . . 104 ASP CB . 18295 1 460 . 1 1 105 105 ASP N N 15 119.9684 0.5 . 1 . . . . 104 ASP N . 18295 1 461 . 1 1 106 106 THR H H 1 7.8407 0.03 . 1 . . . . 105 THR HN . 18295 1 462 . 1 1 106 106 THR C C 13 174.6124 0.3 . 1 . . . . 105 THR C . 18295 1 463 . 1 1 106 106 THR CA C 13 66.9564 0.3 . 1 . . . . 105 THR CA . 18295 1 464 . 1 1 106 106 THR CB C 13 69.1592 0.3 . 1 . . . . 105 THR CB . 18295 1 465 . 1 1 106 106 THR N N 15 117.0655 0.5 . 1 . . . . 105 THR N . 18295 1 466 . 1 1 107 107 LEU H H 1 7.0979 0.03 . 1 . . . . 106 LEU HN . 18295 1 467 . 1 1 107 107 LEU C C 13 177.5969 0.3 . 1 . . . . 106 LEU C . 18295 1 468 . 1 1 107 107 LEU CA C 13 57.9655 0.3 . 1 . . . . 106 LEU CA . 18295 1 469 . 1 1 107 107 LEU CB C 13 41.9655 0.3 . 1 . . . . 106 LEU CB . 18295 1 470 . 1 1 107 107 LEU N N 15 120.3597 0.5 . 1 . . . . 106 LEU N . 18295 1 471 . 1 1 108 108 GLN H H 1 8.6294 0.03 . 1 . . . . 107 GLN HN . 18295 1 472 . 1 1 108 108 GLN C C 13 178.3230 0.3 . 1 . . . . 107 GLN C . 18295 1 473 . 1 1 108 108 GLN CA C 13 60.4548 0.3 . 1 . . . . 107 GLN CA . 18295 1 474 . 1 1 108 108 GLN CB C 13 29.3185 0.3 . 1 . . . . 107 GLN CB . 18295 1 475 . 1 1 108 108 GLN N N 15 116.8055 0.5 . 1 . . . . 107 GLN N . 18295 1 476 . 1 1 109 109 LEU H H 1 8.1132 0.03 . 1 . . . . 108 LEU HN . 18295 1 477 . 1 1 109 109 LEU C C 13 179.1154 0.3 . 1 . . . . 108 LEU C . 18295 1 478 . 1 1 109 109 LEU CA C 13 58.0684 0.3 . 1 . . . . 108 LEU CA . 18295 1 479 . 1 1 109 109 LEU CB C 13 41.5175 0.3 . 1 . . . . 108 LEU CB . 18295 1 480 . 1 1 109 109 LEU N N 15 121.1428 0.5 . 1 . . . . 108 LEU N . 18295 1 481 . 1 1 110 110 ASP H H 1 8.2887 0.03 . 1 . . . . 109 ASP HN . 18295 1 482 . 1 1 110 110 ASP C C 13 180.0671 0.3 . 1 . . . . 109 ASP C . 18295 1 483 . 1 1 110 110 ASP CA C 13 56.9594 0.3 . 1 . . . . 109 ASP CA . 18295 1 484 . 1 1 110 110 ASP CB C 13 38.7300 0.3 . 1 . . . . 109 ASP CB . 18295 1 485 . 1 1 110 110 ASP N N 15 119.3962 0.5 . 1 . . . . 109 ASP N . 18295 1 486 . 1 1 111 111 VAL H H 1 8.5332 0.03 . 1 . . . . 110 VAL HN . 18295 1 487 . 1 1 111 111 VAL CA C 13 67.6827 0.3 . 1 . . . . 110 VAL CA . 18295 1 488 . 1 1 111 111 VAL CB C 13 31.5648 0.3 . 1 . . . . 110 VAL CB . 18295 1 489 . 1 1 111 111 VAL N N 15 122.7158 0.5 . 1 . . . . 110 VAL N . 18295 1 490 . 1 1 112 112 ALA C C 13 180.7410 0.3 . 1 . . . . 111 ALA C . 18295 1 491 . 1 1 113 113 ASP H H 1 8.6347 0.03 . 1 . . . . 112 ASP HN . 18295 1 492 . 1 1 113 113 ASP C C 13 178.3268 0.3 . 1 . . . . 112 ASP C . 18295 1 493 . 1 1 113 113 ASP CA C 13 56.4360 0.3 . 1 . . . . 112 ASP CA . 18295 1 494 . 1 1 113 113 ASP CB C 13 38.7741 0.3 . 1 . . . . 112 ASP CB . 18295 1 495 . 1 1 113 113 ASP N N 15 117.4774 0.5 . 1 . . . . 112 ASP N . 18295 1 496 . 1 1 114 114 PHE H H 1 7.8754 0.03 . 1 . . . . 113 PHE HN . 18295 1 497 . 1 1 114 114 PHE C C 13 177.1213 0.3 . 1 . . . . 113 PHE C . 18295 1 498 . 1 1 114 114 PHE CA C 13 56.9306 0.3 . 1 . . . . 113 PHE CA . 18295 1 499 . 1 1 114 114 PHE CB C 13 39.2986 0.3 . 1 . . . . 113 PHE CB . 18295 1 500 . 1 1 114 114 PHE N N 15 122.2100 0.5 . 1 . . . . 113 PHE N . 18295 1 501 . 1 1 115 115 ALA H H 1 8.7758 0.03 . 1 . . . . 114 ALA HN . 18295 1 502 . 1 1 115 115 ALA C C 13 180.2284 0.3 . 1 . . . . 114 ALA C . 18295 1 503 . 1 1 115 115 ALA CA C 13 56.3139 0.3 . 1 . . . . 114 ALA CA . 18295 1 504 . 1 1 115 115 ALA CB C 13 17.0113 0.3 . 1 . . . . 114 ALA CB . 18295 1 505 . 1 1 115 115 ALA N N 15 121.3562 0.5 . 1 . . . . 114 ALA N . 18295 1 506 . 1 1 116 116 THR H H 1 8.6584 0.03 . 1 . . . . 115 THR HN . 18295 1 507 . 1 1 116 116 THR C C 13 175.8574 0.3 . 1 . . . . 115 THR C . 18295 1 508 . 1 1 116 116 THR CA C 13 66.9863 0.3 . 1 . . . . 115 THR CA . 18295 1 509 . 1 1 116 116 THR CB C 13 68.7116 0.3 . 1 . . . . 115 THR CB . 18295 1 510 . 1 1 116 116 THR N N 15 116.4165 0.5 . 1 . . . . 115 THR N . 18295 1 511 . 1 1 117 117 THR H H 1 8.3517 0.03 . 1 . . . . 116 THR HN . 18295 1 512 . 1 1 117 117 THR C C 13 177.6319 0.3 . 1 . . . . 116 THR C . 18295 1 513 . 1 1 117 117 THR CA C 13 67.2247 0.3 . 1 . . . . 116 THR CA . 18295 1 514 . 1 1 117 117 THR CB C 13 68.7191 0.3 . 1 . . . . 116 THR CB . 18295 1 515 . 1 1 117 117 THR N N 15 121.2667 0.5 . 1 . . . . 116 THR N . 18295 1 516 . 1 1 118 118 ILE H H 1 8.1522 0.03 . 1 . . . . 117 ILE HN . 18295 1 517 . 1 1 118 118 ILE CA C 13 65.6482 0.3 . 1 . . . . 117 ILE CA . 18295 1 518 . 1 1 118 118 ILE CB C 13 37.5720 0.3 . 1 . . . . 117 ILE CB . 18295 1 519 . 1 1 118 118 ILE N N 15 120.3870 0.5 . 1 . . . . 117 ILE N . 18295 1 520 . 1 1 119 119 TRP C C 13 177.6033 0.3 . 1 . . . . 118 TRP C . 18295 1 521 . 1 1 119 119 TRP CA C 13 60.4863 0.3 . 1 . . . . 118 TRP CA . 18295 1 522 . 1 1 119 119 TRP CB C 13 29.5908 0.3 . 1 . . . . 118 TRP CB . 18295 1 523 . 1 1 120 120 GLN H H 1 8.8669 0.03 . 1 . . . . 119 GLN HN . 18295 1 524 . 1 1 120 120 GLN C C 13 178.7074 0.3 . 1 . . . . 119 GLN C . 18295 1 525 . 1 1 120 120 GLN CA C 13 58.7310 0.3 . 1 . . . . 119 GLN CA . 18295 1 526 . 1 1 120 120 GLN CB C 13 27.8618 0.3 . 1 . . . . 119 GLN CB . 18295 1 527 . 1 1 120 120 GLN N N 15 115.9164 0.5 . 1 . . . . 119 GLN N . 18295 1 528 . 1 1 121 121 GLN H H 1 7.3898 0.03 . 1 . . . . 120 GLN HN . 18295 1 529 . 1 1 121 121 GLN C C 13 178.4000 0.3 . 1 . . . . 120 GLN C . 18295 1 530 . 1 1 121 121 GLN CA C 13 57.6364 0.3 . 1 . . . . 120 GLN CA . 18295 1 531 . 1 1 121 121 GLN CB C 13 29.5582 0.3 . 1 . . . . 120 GLN CB . 18295 1 532 . 1 1 121 121 GLN N N 15 119.4103 0.5 . 1 . . . . 120 GLN N . 18295 1 533 . 1 1 122 122 MET H H 1 8.1736 0.03 . 1 . . . . 121 MET HN . 18295 1 534 . 1 1 122 122 MET C C 13 178.3751 0.3 . 1 . . . . 121 MET C . 18295 1 535 . 1 1 122 122 MET CA C 13 59.9757 0.3 . 1 . . . . 121 MET CA . 18295 1 536 . 1 1 122 122 MET CB C 13 32.8661 0.3 . 1 . . . . 121 MET CB . 18295 1 537 . 1 1 122 122 MET N N 15 118.3544 0.5 . 1 . . . . 121 MET N . 18295 1 538 . 1 1 123 123 GLU H H 1 8.1780 0.03 . 1 . . . . 122 GLU HN . 18295 1 539 . 1 1 123 123 GLU C C 13 180.0619 0.3 . 1 . . . . 122 GLU C . 18295 1 540 . 1 1 123 123 GLU CA C 13 58.6247 0.3 . 1 . . . . 122 GLU CA . 18295 1 541 . 1 1 123 123 GLU CB C 13 27.6373 0.3 . 1 . . . . 122 GLU CB . 18295 1 542 . 1 1 123 123 GLU N N 15 118.4800 0.5 . 1 . . . . 122 GLU N . 18295 1 543 . 1 1 124 124 GLU H H 1 7.7639 0.03 . 1 . . . . 123 GLU HN . 18295 1 544 . 1 1 124 124 GLU C C 13 177.6372 0.3 . 1 . . . . 123 GLU C . 18295 1 545 . 1 1 124 124 GLU CA C 13 58.5778 0.3 . 1 . . . . 123 GLU CA . 18295 1 546 . 1 1 124 124 GLU CB C 13 27.6902 0.3 . 1 . . . . 123 GLU CB . 18295 1 547 . 1 1 124 124 GLU N N 15 120.4192 0.5 . 1 . . . . 123 GLU N . 18295 1 548 . 1 1 125 125 LEU H H 1 7.2919 0.03 . 1 . . . . 124 LEU HN . 18295 1 549 . 1 1 125 125 LEU C C 13 176.9223 0.3 . 1 . . . . 124 LEU C . 18295 1 550 . 1 1 125 125 LEU CA C 13 54.5037 0.3 . 1 . . . . 124 LEU CA . 18295 1 551 . 1 1 125 125 LEU CB C 13 42.2959 0.3 . 1 . . . . 124 LEU CB . 18295 1 552 . 1 1 125 125 LEU N N 15 116.1705 0.5 . 1 . . . . 124 LEU N . 18295 1 553 . 1 1 126 126 GLY H H 1 7.6294 0.03 . 1 . . . . 125 GLY HN . 18295 1 554 . 1 1 126 126 GLY C C 13 175.0392 0.3 . 1 . . . . 125 GLY C . 18295 1 555 . 1 1 126 126 GLY CA C 13 46.3090 0.3 . 1 . . . . 125 GLY CA . 18295 1 556 . 1 1 126 126 GLY N N 15 108.0718 0.5 . 1 . . . . 125 GLY N . 18295 1 557 . 1 1 127 127 MET H H 1 7.8727 0.03 . 1 . . . . 126 MET HN . 18295 1 558 . 1 1 127 127 MET C C 13 174.1974 0.3 . 1 . . . . 126 MET C . 18295 1 559 . 1 1 127 127 MET CA C 13 55.1018 0.3 . 1 . . . . 126 MET CA . 18295 1 560 . 1 1 127 127 MET CB C 13 33.5235 0.3 . 1 . . . . 126 MET CB . 18295 1 561 . 1 1 127 127 MET N N 15 116.1448 0.5 . 1 . . . . 126 MET N . 18295 1 562 . 1 1 128 128 ALA H H 1 7.6198 0.03 . 1 . . . . 127 ALA HN . 18295 1 563 . 1 1 128 128 ALA CA C 13 49.8469 0.3 . 1 . . . . 127 ALA CA . 18295 1 564 . 1 1 128 128 ALA CB C 13 17.5999 0.3 . 1 . . . . 127 ALA CB . 18295 1 565 . 1 1 128 128 ALA N N 15 123.3519 0.5 . 1 . . . . 127 ALA N . 18295 1 566 . 1 1 129 129 PRO C C 13 175.5690 0.3 . 1 . . . . 128 PRO C . 18295 1 567 . 1 1 129 129 PRO CA C 13 62.1730 0.3 . 1 . . . . 128 PRO CA . 18295 1 568 . 1 1 129 129 PRO CB C 13 31.7790 0.3 . 1 . . . . 128 PRO CB . 18295 1 569 . 1 1 130 130 ALA H H 1 8.1720 0.03 . 1 . . . . 129 ALA HN . 18295 1 570 . 1 1 130 130 ALA C C 13 177.6527 0.3 . 1 . . . . 129 ALA C . 18295 1 571 . 1 1 130 130 ALA CA C 13 52.7737 0.3 . 1 . . . . 129 ALA CA . 18295 1 572 . 1 1 130 130 ALA CB C 13 18.7738 0.3 . 1 . . . . 129 ALA CB . 18295 1 573 . 1 1 130 130 ALA N N 15 122.2548 0.5 . 1 . . . . 129 ALA N . 18295 1 574 . 1 1 131 131 LEU H H 1 7.8626 0.03 . 1 . . . . 130 LEU HN . 18295 1 575 . 1 1 131 131 LEU C C 13 176.6862 0.3 . 1 . . . . 130 LEU C . 18295 1 576 . 1 1 131 131 LEU CA C 13 54.5166 0.3 . 1 . . . . 130 LEU CA . 18295 1 577 . 1 1 131 131 LEU CB C 13 42.9098 0.3 . 1 . . . . 130 LEU CB . 18295 1 578 . 1 1 131 131 LEU N N 15 119.7603 0.5 . 1 . . . . 130 LEU N . 18295 1 579 . 1 1 132 132 GLN H H 1 8.0588 0.03 . 1 . . . . 131 GLN HN . 18295 1 580 . 1 1 132 132 GLN CA C 13 56.2580 0.3 . 1 . . . . 131 GLN CA . 18295 1 581 . 1 1 132 132 GLN CB C 13 32.9213 0.3 . 1 . . . . 131 GLN CB . 18295 1 582 . 1 1 132 132 GLN N N 15 121.3263 0.5 . 1 . . . . 131 GLN N . 18295 1 583 . 1 1 133 133 PRO C C 13 176.1949 0.3 . 1 . . . . 132 PRO C . 18295 1 584 . 1 1 133 133 PRO CA C 13 62.6970 0.3 . 1 . . . . 132 PRO CA . 18295 1 585 . 1 1 133 133 PRO CB C 13 31.7367 0.3 . 1 . . . . 132 PRO CB . 18295 1 586 . 1 1 134 134 THR H H 1 8.1358 0.03 . 1 . . . . 133 THR HN . 18295 1 587 . 1 1 134 134 THR C C 13 174.2736 0.3 . 1 . . . . 133 THR C . 18295 1 588 . 1 1 134 134 THR CA C 13 61.5842 0.3 . 1 . . . . 133 THR CA . 18295 1 589 . 1 1 134 134 THR CB C 13 69.9570 0.3 . 1 . . . . 133 THR CB . 18295 1 590 . 1 1 134 134 THR N N 15 114.9503 0.5 . 1 . . . . 133 THR N . 18295 1 591 . 1 1 135 135 GLN H H 1 8.6065 0.03 . 1 . . . . 134 GLN HN . 18295 1 592 . 1 1 135 135 GLN C C 13 176.1435 0.3 . 1 . . . . 134 GLN C . 18295 1 593 . 1 1 135 135 GLN CA C 13 55.7734 0.3 . 1 . . . . 134 GLN CA . 18295 1 594 . 1 1 135 135 GLN CB C 13 29.8111 0.3 . 1 . . . . 134 GLN CB . 18295 1 595 . 1 1 135 135 GLN N N 15 124.3035 0.5 . 1 . . . . 134 GLN N . 18295 1 596 . 1 1 136 136 GLY H H 1 8.2533 0.03 . 1 . . . . 135 GLY HN . 18295 1 597 . 1 1 136 136 GLY C C 13 172.5068 0.3 . 1 . . . . 135 GLY C . 18295 1 598 . 1 1 136 136 GLY CA C 13 44.1984 0.3 . 1 . . . . 135 GLY CA . 18295 1 599 . 1 1 136 136 GLY N N 15 111.2978 0.5 . 1 . . . . 135 GLY N . 18295 1 600 . 1 1 137 137 ALA H H 1 8.0491 0.03 . 1 . . . . 136 ALA HN . 18295 1 601 . 1 1 137 137 ALA C C 13 177.5624 0.3 . 1 . . . . 136 ALA C . 18295 1 602 . 1 1 137 137 ALA CA C 13 52.2744 0.3 . 1 . . . . 136 ALA CA . 18295 1 603 . 1 1 137 137 ALA CB C 13 18.6802 0.3 . 1 . . . . 136 ALA CB . 18295 1 604 . 1 1 137 137 ALA N N 15 122.6076 0.5 . 1 . . . . 136 ALA N . 18295 1 605 . 1 1 138 138 MET H H 1 8.2876 0.03 . 1 . . . . 137 MET HN . 18295 1 606 . 1 1 138 138 MET CA C 13 52.1940 0.3 . 1 . . . . 137 MET CA . 18295 1 607 . 1 1 138 138 MET CB C 13 34.0505 0.3 . 1 . . . . 137 MET CB . 18295 1 608 . 1 1 138 138 MET N N 15 121.7306 0.5 . 1 . . . . 137 MET N . 18295 1 609 . 1 1 139 139 PRO C C 13 174.0059 0.3 . 1 . . . . 138 PRO C . 18295 1 610 . 1 1 139 139 PRO CA C 13 62.0142 0.3 . 1 . . . . 138 PRO CA . 18295 1 611 . 1 1 139 139 PRO CB C 13 31.1009 0.3 . 1 . . . . 138 PRO CB . 18295 1 612 . 1 1 140 140 ALA H H 1 7.8480 0.03 . 1 . . . . 139 ALA HN . 18295 1 613 . 1 1 140 140 ALA C C 13 176.5481 0.3 . 1 . . . . 139 ALA C . 18295 1 614 . 1 1 140 140 ALA CA C 13 50.6187 0.3 . 1 . . . . 139 ALA CA . 18295 1 615 . 1 1 140 140 ALA CB C 13 19.0368 0.3 . 1 . . . . 139 ALA CB . 18295 1 616 . 1 1 140 140 ALA N N 15 122.1173 0.5 . 1 . . . . 139 ALA N . 18295 1 617 . 1 1 141 141 PHE H H 1 8.3439 0.03 . 1 . . . . 140 PHE HN . 18295 1 618 . 1 1 141 141 PHE C C 13 175.2457 0.3 . 1 . . . . 140 PHE C . 18295 1 619 . 1 1 141 141 PHE CA C 13 56.4235 0.3 . 1 . . . . 140 PHE CA . 18295 1 620 . 1 1 141 141 PHE CB C 13 38.7823 0.3 . 1 . . . . 140 PHE CB . 18295 1 621 . 1 1 141 141 PHE N N 15 120.4344 0.5 . 1 . . . . 140 PHE N . 18295 1 622 . 1 1 142 142 ALA H H 1 8.1075 0.03 . 1 . . . . 141 ALA HN . 18295 1 623 . 1 1 142 142 ALA C C 13 177.3101 0.3 . 1 . . . . 141 ALA C . 18295 1 624 . 1 1 142 142 ALA CA C 13 54.0043 0.3 . 1 . . . . 141 ALA CA . 18295 1 625 . 1 1 142 142 ALA CB C 13 19.7046 0.3 . 1 . . . . 141 ALA CB . 18295 1 626 . 1 1 142 142 ALA N N 15 124.7172 0.5 . 1 . . . . 141 ALA N . 18295 1 627 . 1 1 143 143 SER H H 1 7.7957 0.03 . 1 . . . . 142 SER HN . 18295 1 628 . 1 1 143 143 SER C C 13 174.1877 0.3 . 1 . . . . 142 SER C . 18295 1 629 . 1 1 143 143 SER CA C 13 55.8591 0.3 . 1 . . . . 142 SER CA . 18295 1 630 . 1 1 143 143 SER CB C 13 66.4305 0.3 . 1 . . . . 142 SER CB . 18295 1 631 . 1 1 143 143 SER N N 15 111.5243 0.5 . 1 . . . . 142 SER N . 18295 1 632 . 1 1 144 144 ALA H H 1 8.9702 0.03 . 1 . . . . 143 ALA HN . 18295 1 633 . 1 1 144 144 ALA C C 13 179.8179 0.3 . 1 . . . . 143 ALA C . 18295 1 634 . 1 1 144 144 ALA CA C 13 55.6781 0.3 . 1 . . . . 143 ALA CA . 18295 1 635 . 1 1 144 144 ALA CB C 13 17.2486 0.3 . 1 . . . . 143 ALA CB . 18295 1 636 . 1 1 144 144 ALA N N 15 124.4253 0.5 . 1 . . . . 143 ALA N . 18295 1 637 . 1 1 145 145 PHE H H 1 8.6408 0.03 . 1 . . . . 144 PHE HN . 18295 1 638 . 1 1 145 145 PHE C C 13 176.8975 0.3 . 1 . . . . 144 PHE C . 18295 1 639 . 1 1 145 145 PHE CA C 13 61.6994 0.3 . 1 . . . . 144 PHE CA . 18295 1 640 . 1 1 145 145 PHE CB C 13 38.7573 0.3 . 1 . . . . 144 PHE CB . 18295 1 641 . 1 1 145 145 PHE N N 15 117.0905 0.5 . 1 . . . . 144 PHE N . 18295 1 642 . 1 1 146 146 GLN H H 1 7.8345 0.03 . 1 . . . . 145 GLN HN . 18295 1 643 . 1 1 146 146 GLN C C 13 178.4920 0.3 . 1 . . . . 145 GLN C . 18295 1 644 . 1 1 146 146 GLN CA C 13 59.7603 0.3 . 1 . . . . 145 GLN CA . 18295 1 645 . 1 1 146 146 GLN CB C 13 28.2144 0.3 . 1 . . . . 145 GLN CB . 18295 1 646 . 1 1 146 146 GLN N N 15 116.0614 0.5 . 1 . . . . 145 GLN N . 18295 1 647 . 1 1 147 147 ARG H H 1 7.9196 0.03 . 1 . . . . 146 ARG HN . 18295 1 648 . 1 1 147 147 ARG C C 13 177.2951 0.3 . 1 . . . . 146 ARG C . 18295 1 649 . 1 1 147 147 ARG CA C 13 60.0448 0.3 . 1 . . . . 146 ARG CA . 18295 1 650 . 1 1 147 147 ARG CB C 13 30.5393 0.3 . 1 . . . . 146 ARG CB . 18295 1 651 . 1 1 147 147 ARG N N 15 117.3498 0.5 . 1 . . . . 146 ARG N . 18295 1 652 . 1 1 148 148 ARG H H 1 7.7897 0.03 . 1 . . . . 147 ARG HN . 18295 1 653 . 1 1 148 148 ARG C C 13 176.8420 0.3 . 1 . . . . 147 ARG C . 18295 1 654 . 1 1 148 148 ARG CA C 13 59.7333 0.3 . 1 . . . . 147 ARG CA . 18295 1 655 . 1 1 148 148 ARG CB C 13 30.0047 0.3 . 1 . . . . 147 ARG CB . 18295 1 656 . 1 1 148 148 ARG N N 15 118.0600 0.5 . 1 . . . . 147 ARG N . 18295 1 657 . 1 1 149 149 ALA H H 1 8.2153 0.03 . 1 . . . . 148 ALA HN . 18295 1 658 . 1 1 149 149 ALA C C 13 179.9302 0.3 . 1 . . . . 148 ALA C . 18295 1 659 . 1 1 149 149 ALA CA C 13 54.5576 0.3 . 1 . . . . 148 ALA CA . 18295 1 660 . 1 1 149 149 ALA CB C 13 18.2536 0.3 . 1 . . . . 148 ALA CB . 18295 1 661 . 1 1 149 149 ALA N N 15 119.9560 0.5 . 1 . . . . 148 ALA N . 18295 1 662 . 1 1 150 150 GLY H H 1 8.1945 0.03 . 1 . . . . 149 GLY HN . 18295 1 663 . 1 1 150 150 GLY C C 13 175.1413 0.3 . 1 . . . . 149 GLY C . 18295 1 664 . 1 1 150 150 GLY CA C 13 47.0067 0.3 . 1 . . . . 149 GLY CA . 18295 1 665 . 1 1 150 150 GLY N N 15 106.3164 0.5 . 1 . . . . 149 GLY N . 18295 1 666 . 1 1 151 151 GLY H H 1 7.8475 0.03 . 1 . . . . 150 GLY HN . 18295 1 667 . 1 1 151 151 GLY C C 13 173.8804 0.3 . 1 . . . . 150 GLY C . 18295 1 668 . 1 1 151 151 GLY CA C 13 47.9853 0.3 . 1 . . . . 150 GLY CA . 18295 1 669 . 1 1 151 151 GLY N N 15 108.9319 0.5 . 1 . . . . 150 GLY N . 18295 1 670 . 1 1 152 152 VAL H H 1 7.3142 0.03 . 1 . . . . 151 VAL HN . 18295 1 671 . 1 1 152 152 VAL C C 13 179.0280 0.3 . 1 . . . . 151 VAL C . 18295 1 672 . 1 1 152 152 VAL CA C 13 66.4145 0.3 . 1 . . . . 151 VAL CA . 18295 1 673 . 1 1 152 152 VAL CB C 13 31.1796 0.3 . 1 . . . . 151 VAL CB . 18295 1 674 . 1 1 152 152 VAL N N 15 120.9122 0.5 . 1 . . . . 151 VAL N . 18295 1 675 . 1 1 153 153 LEU H H 1 8.0089 0.03 . 1 . . . . 152 LEU HN . 18295 1 676 . 1 1 153 153 LEU C C 13 179.2367 0.3 . 1 . . . . 152 LEU C . 18295 1 677 . 1 1 153 153 LEU CA C 13 58.0981 0.3 . 1 . . . . 152 LEU CA . 18295 1 678 . 1 1 153 153 LEU CB C 13 43.0995 0.3 . 1 . . . . 152 LEU CB . 18295 1 679 . 1 1 153 153 LEU N N 15 120.0181 0.5 . 1 . . . . 152 LEU N . 18295 1 680 . 1 1 154 154 VAL H H 1 9.3719 0.03 . 1 . . . . 153 VAL HN . 18295 1 681 . 1 1 154 154 VAL C C 13 177.3230 0.3 . 1 . . . . 153 VAL C . 18295 1 682 . 1 1 154 154 VAL CA C 13 67.4395 0.3 . 1 . . . . 153 VAL CA . 18295 1 683 . 1 1 154 154 VAL CB C 13 31.3203 0.3 . 1 . . . . 153 VAL CB . 18295 1 684 . 1 1 154 154 VAL N N 15 119.8948 0.5 . 1 . . . . 153 VAL N . 18295 1 685 . 1 1 155 155 ALA H H 1 8.1975 0.03 . 1 . . . . 154 ALA HN . 18295 1 686 . 1 1 155 155 ALA C C 13 179.0842 0.3 . 1 . . . . 154 ALA C . 18295 1 687 . 1 1 155 155 ALA CA C 13 55.8443 0.3 . 1 . . . . 154 ALA CA . 18295 1 688 . 1 1 155 155 ALA CB C 13 17.0442 0.3 . 1 . . . . 154 ALA CB . 18295 1 689 . 1 1 155 155 ALA N N 15 119.4867 0.5 . 1 . . . . 154 ALA N . 18295 1 690 . 1 1 156 156 SER H H 1 7.9600 0.03 . 1 . . . . 155 SER HN . 18295 1 691 . 1 1 156 156 SER C C 13 177.3554 0.3 . 1 . . . . 155 SER C . 18295 1 692 . 1 1 156 156 SER CA C 13 61.6030 0.3 . 1 . . . . 155 SER CA . 18295 1 693 . 1 1 156 156 SER CB C 13 62.3365 0.3 . 1 . . . . 155 SER CB . 18295 1 694 . 1 1 156 156 SER N N 15 112.1238 0.5 . 1 . . . . 155 SER N . 18295 1 695 . 1 1 157 157 HIS H H 1 7.9801 0.03 . 1 . . . . 156 HIS HN . 18295 1 696 . 1 1 157 157 HIS C C 13 177.0126 0.3 . 1 . . . . 156 HIS C . 18295 1 697 . 1 1 157 157 HIS CA C 13 59.1157 0.3 . 1 . . . . 156 HIS CA . 18295 1 698 . 1 1 157 157 HIS CB C 13 27.6611 0.3 . 1 . . . . 156 HIS CB . 18295 1 699 . 1 1 157 157 HIS N N 15 122.6029 0.5 . 1 . . . . 156 HIS N . 18295 1 700 . 1 1 158 158 LEU H H 1 8.6120 0.03 . 1 . . . . 157 LEU HN . 18295 1 701 . 1 1 158 158 LEU C C 13 177.9804 0.3 . 1 . . . . 157 LEU C . 18295 1 702 . 1 1 158 158 LEU CA C 13 57.7469 0.3 . 1 . . . . 157 LEU CA . 18295 1 703 . 1 1 158 158 LEU CB C 13 41.0219 0.3 . 1 . . . . 157 LEU CB . 18295 1 704 . 1 1 158 158 LEU N N 15 122.2907 0.5 . 1 . . . . 157 LEU N . 18295 1 705 . 1 1 159 159 GLN H H 1 8.1301 0.03 . 1 . . . . 158 GLN HN . 18295 1 706 . 1 1 159 159 GLN C C 13 179.5972 0.3 . 1 . . . . 158 GLN C . 18295 1 707 . 1 1 159 159 GLN CA C 13 59.2722 0.3 . 1 . . . . 158 GLN CA . 18295 1 708 . 1 1 159 159 GLN CB C 13 27.5945 0.3 . 1 . . . . 158 GLN CB . 18295 1 709 . 1 1 159 159 GLN N N 15 117.5709 0.5 . 1 . . . . 158 GLN N . 18295 1 710 . 1 1 160 160 SER H H 1 7.5947 0.03 . 1 . . . . 159 SER HN . 18295 1 711 . 1 1 160 160 SER C C 13 176.2298 0.3 . 1 . . . . 159 SER C . 18295 1 712 . 1 1 160 160 SER CA C 13 62.2500 0.3 . 1 . . . . 159 SER CA . 18295 1 713 . 1 1 160 160 SER CB C 13 62.2142 0.3 . 1 . . . . 159 SER CB . 18295 1 714 . 1 1 160 160 SER N N 15 115.7259 0.5 . 1 . . . . 159 SER N . 18295 1 715 . 1 1 161 161 PHE H H 1 8.3170 0.03 . 1 . . . . 160 PHE HN . 18295 1 716 . 1 1 161 161 PHE C C 13 178.8770 0.3 . 1 . . . . 160 PHE C . 18295 1 717 . 1 1 161 161 PHE CA C 13 61.3107 0.3 . 1 . . . . 160 PHE CA . 18295 1 718 . 1 1 161 161 PHE CB C 13 39.1624 0.3 . 1 . . . . 160 PHE CB . 18295 1 719 . 1 1 161 161 PHE N N 15 124.4082 0.5 . 1 . . . . 160 PHE N . 18295 1 720 . 1 1 162 162 LEU H H 1 9.0268 0.03 . 1 . . . . 161 LEU HN . 18295 1 721 . 1 1 162 162 LEU C C 13 178.4194 0.3 . 1 . . . . 161 LEU C . 18295 1 722 . 1 1 162 162 LEU CA C 13 56.9072 0.3 . 1 . . . . 161 LEU CA . 18295 1 723 . 1 1 162 162 LEU CB C 13 41.2072 0.3 . 1 . . . . 161 LEU CB . 18295 1 724 . 1 1 162 162 LEU N N 15 120.1855 0.5 . 1 . . . . 161 LEU N . 18295 1 725 . 1 1 163 163 GLU H H 1 8.0248 0.03 . 1 . . . . 162 GLU HN . 18295 1 726 . 1 1 163 163 GLU C C 13 179.2433 0.3 . 1 . . . . 162 GLU C . 18295 1 727 . 1 1 163 163 GLU CA C 13 59.3258 0.3 . 1 . . . . 162 GLU CA . 18295 1 728 . 1 1 163 163 GLU CB C 13 28.1271 0.3 . 1 . . . . 162 GLU CB . 18295 1 729 . 1 1 163 163 GLU N N 15 121.0301 0.5 . 1 . . . . 162 GLU N . 18295 1 730 . 1 1 164 164 VAL H H 1 7.5141 0.03 . 1 . . . . 163 VAL HN . 18295 1 731 . 1 1 164 164 VAL C C 13 178.3346 0.3 . 1 . . . . 163 VAL C . 18295 1 732 . 1 1 164 164 VAL CA C 13 66.5287 0.3 . 1 . . . . 163 VAL CA . 18295 1 733 . 1 1 164 164 VAL CB C 13 30.9546 0.3 . 1 . . . . 163 VAL CB . 18295 1 734 . 1 1 164 164 VAL N N 15 119.4523 0.5 . 1 . . . . 163 VAL N . 18295 1 735 . 1 1 165 165 SER H H 1 8.0705 0.03 . 1 . . . . 164 SER HN . 18295 1 736 . 1 1 165 165 SER C C 13 174.8693 0.3 . 1 . . . . 164 SER C . 18295 1 737 . 1 1 165 165 SER N N 15 115.7693 0.5 . 1 . . . . 164 SER N . 18295 1 738 . 1 1 166 166 TYR H H 1 8.6711 0.03 . 1 . . . . 165 TYR HN . 18295 1 739 . 1 1 166 166 TYR C C 13 176.1542 0.3 . 1 . . . . 165 TYR C . 18295 1 740 . 1 1 166 166 TYR CA C 13 62.1652 0.3 . 1 . . . . 165 TYR CA . 18295 1 741 . 1 1 166 166 TYR CB C 13 38.0385 0.3 . 1 . . . . 165 TYR CB . 18295 1 742 . 1 1 166 166 TYR N N 15 121.8039 0.5 . 1 . . . . 165 TYR N . 18295 1 743 . 1 1 167 167 ARG H H 1 7.4204 0.03 . 1 . . . . 166 ARG HN . 18295 1 744 . 1 1 167 167 ARG C C 13 179.7348 0.3 . 1 . . . . 166 ARG C . 18295 1 745 . 1 1 167 167 ARG CA C 13 59.8902 0.3 . 1 . . . . 166 ARG CA . 18295 1 746 . 1 1 167 167 ARG CB C 13 29.7602 0.3 . 1 . . . . 166 ARG CB . 18295 1 747 . 1 1 167 167 ARG N N 15 117.1053 0.5 . 1 . . . . 166 ARG N . 18295 1 748 . 1 1 168 168 VAL H H 1 8.1566 0.03 . 1 . . . . 167 VAL HN . 18295 1 749 . 1 1 168 168 VAL C C 13 178.3093 0.3 . 1 . . . . 167 VAL C . 18295 1 750 . 1 1 168 168 VAL CA C 13 65.8281 0.3 . 1 . . . . 167 VAL CA . 18295 1 751 . 1 1 168 168 VAL CB C 13 27.5988 0.3 . 1 . . . . 167 VAL CB . 18295 1 752 . 1 1 168 168 VAL N N 15 120.2322 0.5 . 1 . . . . 167 VAL N . 18295 1 753 . 1 1 169 169 LEU H H 1 8.2974 0.03 . 1 . . . . 168 LEU HN . 18295 1 754 . 1 1 169 169 LEU C C 13 178.6096 0.3 . 1 . . . . 168 LEU C . 18295 1 755 . 1 1 169 169 LEU CA C 13 58.1222 0.3 . 1 . . . . 168 LEU CA . 18295 1 756 . 1 1 169 169 LEU CB C 13 41.6531 0.3 . 1 . . . . 168 LEU CB . 18295 1 757 . 1 1 169 169 LEU N N 15 119.7213 0.5 . 1 . . . . 168 LEU N . 18295 1 758 . 1 1 170 170 ARG H H 1 8.4581 0.03 . 1 . . . . 169 ARG HN . 18295 1 759 . 1 1 170 170 ARG C C 13 178.6153 0.3 . 1 . . . . 169 ARG C . 18295 1 760 . 1 1 170 170 ARG CA C 13 58.7203 0.3 . 1 . . . . 169 ARG CA . 18295 1 761 . 1 1 170 170 ARG CB C 13 28.8330 0.3 . 1 . . . . 169 ARG CB . 18295 1 762 . 1 1 170 170 ARG N N 15 117.6037 0.5 . 1 . . . . 169 ARG N . 18295 1 763 . 1 1 171 171 HIS H H 1 7.6420 0.03 . 1 . . . . 170 HIS HN . 18295 1 764 . 1 1 171 171 HIS C C 13 176.5034 0.3 . 1 . . . . 170 HIS C . 18295 1 765 . 1 1 171 171 HIS CA C 13 57.8304 0.3 . 1 . . . . 170 HIS CA . 18295 1 766 . 1 1 171 171 HIS CB C 13 27.6738 0.3 . 1 . . . . 170 HIS CB . 18295 1 767 . 1 1 171 171 HIS N N 15 116.7926 0.5 . 1 . . . . 170 HIS N . 18295 1 768 . 1 1 172 172 LEU H H 1 7.7234 0.03 . 1 . . . . 171 LEU HN . 18295 1 769 . 1 1 172 172 LEU C C 13 177.3452 0.3 . 1 . . . . 171 LEU C . 18295 1 770 . 1 1 172 172 LEU CA C 13 56.4941 0.3 . 1 . . . . 171 LEU CA . 18295 1 771 . 1 1 172 172 LEU CB C 13 42.1612 0.3 . 1 . . . . 171 LEU CB . 18295 1 772 . 1 1 172 172 LEU N N 15 118.0379 0.5 . 1 . . . . 171 LEU N . 18295 1 773 . 1 1 173 173 ALA H H 1 7.5815 0.03 . 1 . . . . 172 ALA HN . 18295 1 774 . 1 1 173 173 ALA C C 13 176.9657 0.3 . 1 . . . . 172 ALA C . 18295 1 775 . 1 1 173 173 ALA CA C 13 52.6631 0.3 . 1 . . . . 172 ALA CA . 18295 1 776 . 1 1 173 173 ALA CB C 13 18.8031 0.3 . 1 . . . . 172 ALA CB . 18295 1 777 . 1 1 173 173 ALA N N 15 119.9223 0.5 . 1 . . . . 172 ALA N . 18295 1 778 . 1 1 174 174 GLN H H 1 7.6526 0.03 . 1 . . . . 173 GLN HN . 18295 1 779 . 1 1 174 174 GLN CA C 13 53.3956 0.3 . 1 . . . . 173 GLN CA . 18295 1 780 . 1 1 174 174 GLN CB C 13 28.9790 0.3 . 1 . . . . 173 GLN CB . 18295 1 781 . 1 1 174 174 GLN N N 15 118.5806 0.5 . 1 . . . . 173 GLN N . 18295 1 stop_ save_