data_18291 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18291 _Entry.Title ; Backbone 1HN, 13C, and 15N Chemical Shift Assignments for Granulocyte colony-stimulating factor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-02-23 _Entry.Accession_date 2012-02-23 _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' _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 . . . 18291 2 Derek Hodgson . . . 18291 3 Yves Aubin . . . 18291 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' . 18291 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18291 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 475 18291 '15N chemical shifts' 155 18291 '1H chemical shifts' 157 18291 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 2012-02-23 update BMRB 'change chemical shifts of SER O to HG' 18291 1 . . 2012-08-21 2012-02-23 original author 'original release' 18291 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18293 'Granulocyte colony-stimulating factor A29G' 18291 BMRB 18294 'Granulocyte colony-stimulating factor A30G' 18291 BMRB 18295 'Granulocyte colony-stimulating factor A37G' 18291 stop_ save_ ############### # Citations # ############### save_metGCSF_WT _Citation.Sf_category citations _Citation.Sf_framecode metGCSF_WT _Citation.Entry_ID 18291 _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. . 18291 1 2 William Thach . B. . 18291 1 3 Genevieve Gingras . . . 18291 1 4 Simon Sauve . . . 18291 1 5 Adrian Bristow . F. . 18291 1 6 Yves Aubin . . . 18291 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Filgrastim 18291 1 G-CSF 18291 1 Neupogen 18291 1 'NMR fingerprint' 18291 1 'subsequent entry biologics' 18291 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18291 _Assembly.ID 1 _Assembly.Name 'Granulocyte colony-stimulating factor' _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' 1 $metGCSF A . yes native no no . . . 18291 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 . . . . . . . . . . 18291 1 2 disulfide single . 1 . 1 CYS 65 65 SG . 1 . 1 CYS 75 75 SG . . . . . . . . . . 18291 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_metGCSF _Entity.Sf_category entity _Entity.Sf_framecode metGCSF _Entity.Entry_ID 18291 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name metGCSF _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 QVRKIQGDGAALQEKLCATY 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' _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 18293 . metGCSFA30G . . . . . 100.00 175 99.43 99.43 3.96e-118 . . . . 18291 1 2 no BMRB 18294 . metGCSFA31G . . . . . 100.00 175 99.43 99.43 3.96e-118 . . . . 18291 1 3 no BMRB 18295 . metGCSFA38G . . . . . 100.00 175 99.43 99.43 3.96e-118 . . . . 18291 1 4 no PDB 1CD9 . "2:2 Complex Of G-Csf With Its Receptor" . . . . . 100.00 175 100.00 100.00 9.26e-119 . . . . 18291 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 98.31 98.31 7.70e-117 . . . . 18291 1 6 no PDB 1PGR . "2:2 Complex Of G-Csf With Its Receptor" . . . . . 100.00 175 100.00 100.00 9.26e-119 . . . . 18291 1 7 no PDB 1RHG . "The Structure Of Granulocyte-Colony-Stimulating Factor And Its Relationship To Those Of Other Growth Factors" . . . . . 99.43 174 100.00 100.00 4.92e-118 . . . . 18291 1 8 no PDB 2D9Q . "Crystal Structure Of The Human Gcsf-Receptor Signaling Complex" . . . . . 99.43 174 100.00 100.00 4.92e-118 . . . . 18291 1 9 no DBJ BAF82936 . "unnamed protein product [Homo sapiens]" . . . . . 99.43 200 100.00 100.00 1.36e-117 . . . . 18291 1 10 no DBJ BAG36289 . "unnamed protein product [Homo sapiens]" . . . . . 99.43 204 100.00 100.00 6.89e-118 . . . . 18291 1 11 no DBJ BAJ21174 . "colony stimulating factor 3 [synthetic construct]" . . . . . 99.43 204 100.00 100.00 6.89e-118 . . . . 18291 1 12 no EMBL CAA27168 . "unnamed protein product [Homo sapiens]" . . . . . 101.14 207 98.31 98.31 9.98e-116 . . . . 18291 1 13 no EMBL CAA27290 . "G-CSF protein [Homo sapiens]" . . . . . 99.43 204 100.00 100.00 6.89e-118 . . . . 18291 1 14 no EMBL CAA27291 . "G-CSF protein [Homo sapiens]" . . . . . 101.14 207 98.31 98.31 9.98e-116 . . . . 18291 1 15 no EMBL CAG46689 . "CSF3 [Homo sapiens]" . . . . . 99.43 204 100.00 100.00 6.89e-118 . . . . 18291 1 16 no GB AAA03056 . "human granulocyte-colony stimulating factor, partial [Homo sapiens]" . . . . . 99.43 186 100.00 100.00 8.22e-118 . . . . 18291 1 17 no GB AAA35882 . "granulocyte colony stimulating factor precursor [Homo sapiens]" . . . . . 99.43 204 100.00 100.00 6.89e-118 . . . . 18291 1 18 no GB AAH33245 . "Colony stimulating factor 3 (granulocyte) [Homo sapiens]" . . . . . 99.43 200 100.00 100.00 1.36e-117 . . . . 18291 1 19 no GB AAK62469 . "colony stimulating factor 3 (granulocyte) [Homo sapiens]" . . . . . 101.14 207 98.31 98.31 9.98e-116 . . . . 18291 1 20 no GB AAV38741 . "colony stimulating factor 3 (granulocyte) [synthetic construct]" . . . . . 99.43 205 99.43 100.00 1.06e-117 . . . . 18291 1 21 no PRF 1203374A . "colony stimulating factor,granulocyte" . . . . . 101.14 207 98.31 98.31 9.98e-116 . . . . 18291 1 22 no REF NP_000750 . "granulocyte colony-stimulating factor isoform a precursor [Homo sapiens]" . . . . . 101.14 207 98.31 98.31 9.98e-116 . . . . 18291 1 23 no REF NP_757373 . "granulocyte colony-stimulating factor isoform b precursor [Homo sapiens]" . . . . . 99.43 204 100.00 100.00 6.89e-118 . . . . 18291 1 24 no REF XP_002827665 . "PREDICTED: granulocyte colony-stimulating factor isoform X2 [Pongo abelii]" . . . . . 99.43 204 97.70 99.43 5.95e-116 . . . . 18291 1 25 no REF XP_003278307 . "PREDICTED: granulocyte colony-stimulating factor isoform X2 [Nomascus leucogenys]" . . . . . 99.43 204 97.70 98.28 8.54e-115 . . . . 18291 1 26 no REF XP_003831483 . "PREDICTED: granulocyte colony-stimulating factor isoform X1 [Pan paniscus]" . . . . . 99.43 204 100.00 100.00 7.61e-118 . . . . 18291 1 27 no SP P09919 . "RecName: Full=Granulocyte colony-stimulating factor; Short=G-CSF; AltName: Full=Pluripoietin; AltName: INN=Filgrastim; AltName:" . . . . . 101.14 207 98.31 98.31 9.98e-116 . . . . 18291 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 . 18291 1 2 1 THR . 18291 1 3 2 PRO . 18291 1 4 3 LEU . 18291 1 5 4 GLY . 18291 1 6 5 PRO . 18291 1 7 6 ALA . 18291 1 8 7 SER . 18291 1 9 8 SER . 18291 1 10 9 LEU . 18291 1 11 10 PRO . 18291 1 12 11 GLN . 18291 1 13 12 SER . 18291 1 14 13 PHE . 18291 1 15 14 LEU . 18291 1 16 15 LEU . 18291 1 17 16 LYS . 18291 1 18 17 CYS . 18291 1 19 18 LEU . 18291 1 20 19 GLU . 18291 1 21 20 GLN . 18291 1 22 21 VAL . 18291 1 23 22 ARG . 18291 1 24 23 LYS . 18291 1 25 24 ILE . 18291 1 26 25 GLN . 18291 1 27 26 GLY . 18291 1 28 27 ASP . 18291 1 29 28 GLY . 18291 1 30 29 ALA . 18291 1 31 30 ALA . 18291 1 32 31 LEU . 18291 1 33 32 GLN . 18291 1 34 33 GLU . 18291 1 35 34 LYS . 18291 1 36 35 LEU . 18291 1 37 36 CYS . 18291 1 38 37 ALA . 18291 1 39 38 THR . 18291 1 40 39 TYR . 18291 1 41 40 LYS . 18291 1 42 41 LEU . 18291 1 43 42 CYS . 18291 1 44 43 HIS . 18291 1 45 44 PRO . 18291 1 46 45 GLU . 18291 1 47 46 GLU . 18291 1 48 47 LEU . 18291 1 49 48 VAL . 18291 1 50 49 LEU . 18291 1 51 50 LEU . 18291 1 52 51 GLY . 18291 1 53 52 HIS . 18291 1 54 53 SER . 18291 1 55 54 LEU . 18291 1 56 55 GLY . 18291 1 57 56 ILE . 18291 1 58 57 PRO . 18291 1 59 58 TRP . 18291 1 60 59 ALA . 18291 1 61 60 PRO . 18291 1 62 61 LEU . 18291 1 63 62 SER . 18291 1 64 63 SER . 18291 1 65 64 CYS . 18291 1 66 65 PRO . 18291 1 67 66 SER . 18291 1 68 67 GLN . 18291 1 69 68 ALA . 18291 1 70 69 LEU . 18291 1 71 70 GLN . 18291 1 72 71 LEU . 18291 1 73 72 ALA . 18291 1 74 73 GLY . 18291 1 75 74 CYS . 18291 1 76 75 LEU . 18291 1 77 76 SER . 18291 1 78 77 GLN . 18291 1 79 78 LEU . 18291 1 80 79 HIS . 18291 1 81 80 SER . 18291 1 82 81 GLY . 18291 1 83 82 LEU . 18291 1 84 83 PHE . 18291 1 85 84 LEU . 18291 1 86 85 TYR . 18291 1 87 86 GLN . 18291 1 88 87 GLY . 18291 1 89 88 LEU . 18291 1 90 89 LEU . 18291 1 91 90 GLN . 18291 1 92 91 ALA . 18291 1 93 92 LEU . 18291 1 94 93 GLU . 18291 1 95 94 GLY . 18291 1 96 95 ILE . 18291 1 97 96 SER . 18291 1 98 97 PRO . 18291 1 99 98 GLU . 18291 1 100 99 LEU . 18291 1 101 100 GLY . 18291 1 102 101 PRO . 18291 1 103 102 THR . 18291 1 104 103 LEU . 18291 1 105 104 ASP . 18291 1 106 105 THR . 18291 1 107 106 LEU . 18291 1 108 107 GLN . 18291 1 109 108 LEU . 18291 1 110 109 ASP . 18291 1 111 110 VAL . 18291 1 112 111 ALA . 18291 1 113 112 ASP . 18291 1 114 113 PHE . 18291 1 115 114 ALA . 18291 1 116 115 THR . 18291 1 117 116 THR . 18291 1 118 117 ILE . 18291 1 119 118 TRP . 18291 1 120 119 GLN . 18291 1 121 120 GLN . 18291 1 122 121 MET . 18291 1 123 122 GLU . 18291 1 124 123 GLU . 18291 1 125 124 LEU . 18291 1 126 125 GLY . 18291 1 127 126 MET . 18291 1 128 127 ALA . 18291 1 129 128 PRO . 18291 1 130 129 ALA . 18291 1 131 130 LEU . 18291 1 132 131 GLN . 18291 1 133 132 PRO . 18291 1 134 133 THR . 18291 1 135 134 GLN . 18291 1 136 135 GLY . 18291 1 137 136 ALA . 18291 1 138 137 MET . 18291 1 139 138 PRO . 18291 1 140 139 ALA . 18291 1 141 140 PHE . 18291 1 142 141 ALA . 18291 1 143 142 SER . 18291 1 144 143 ALA . 18291 1 145 144 PHE . 18291 1 146 145 GLN . 18291 1 147 146 ARG . 18291 1 148 147 ARG . 18291 1 149 148 ALA . 18291 1 150 149 GLY . 18291 1 151 150 GLY . 18291 1 152 151 VAL . 18291 1 153 152 LEU . 18291 1 154 153 VAL . 18291 1 155 154 ALA . 18291 1 156 155 SER . 18291 1 157 156 HIS . 18291 1 158 157 LEU . 18291 1 159 158 GLN . 18291 1 160 159 SER . 18291 1 161 160 PHE . 18291 1 162 161 LEU . 18291 1 163 162 GLU . 18291 1 164 163 VAL . 18291 1 165 164 SER . 18291 1 166 165 TYR . 18291 1 167 166 ARG . 18291 1 168 167 VAL . 18291 1 169 168 LEU . 18291 1 170 169 ARG . 18291 1 171 170 HIS . 18291 1 172 171 LEU . 18291 1 173 172 ALA . 18291 1 174 173 GLN . 18291 1 175 174 PRO . 18291 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 18291 1 . THR 2 2 18291 1 . PRO 3 3 18291 1 . LEU 4 4 18291 1 . GLY 5 5 18291 1 . PRO 6 6 18291 1 . ALA 7 7 18291 1 . SER 8 8 18291 1 . SER 9 9 18291 1 . LEU 10 10 18291 1 . PRO 11 11 18291 1 . GLN 12 12 18291 1 . SER 13 13 18291 1 . PHE 14 14 18291 1 . LEU 15 15 18291 1 . LEU 16 16 18291 1 . LYS 17 17 18291 1 . CYS 18 18 18291 1 . LEU 19 19 18291 1 . GLU 20 20 18291 1 . GLN 21 21 18291 1 . VAL 22 22 18291 1 . ARG 23 23 18291 1 . LYS 24 24 18291 1 . ILE 25 25 18291 1 . GLN 26 26 18291 1 . GLY 27 27 18291 1 . ASP 28 28 18291 1 . GLY 29 29 18291 1 . ALA 30 30 18291 1 . ALA 31 31 18291 1 . LEU 32 32 18291 1 . GLN 33 33 18291 1 . GLU 34 34 18291 1 . LYS 35 35 18291 1 . LEU 36 36 18291 1 . CYS 37 37 18291 1 . ALA 38 38 18291 1 . THR 39 39 18291 1 . TYR 40 40 18291 1 . LYS 41 41 18291 1 . LEU 42 42 18291 1 . CYS 43 43 18291 1 . HIS 44 44 18291 1 . PRO 45 45 18291 1 . GLU 46 46 18291 1 . GLU 47 47 18291 1 . LEU 48 48 18291 1 . VAL 49 49 18291 1 . LEU 50 50 18291 1 . LEU 51 51 18291 1 . GLY 52 52 18291 1 . HIS 53 53 18291 1 . SER 54 54 18291 1 . LEU 55 55 18291 1 . GLY 56 56 18291 1 . ILE 57 57 18291 1 . PRO 58 58 18291 1 . TRP 59 59 18291 1 . ALA 60 60 18291 1 . PRO 61 61 18291 1 . LEU 62 62 18291 1 . SER 63 63 18291 1 . SER 64 64 18291 1 . CYS 65 65 18291 1 . PRO 66 66 18291 1 . SER 67 67 18291 1 . GLN 68 68 18291 1 . ALA 69 69 18291 1 . LEU 70 70 18291 1 . GLN 71 71 18291 1 . LEU 72 72 18291 1 . ALA 73 73 18291 1 . GLY 74 74 18291 1 . CYS 75 75 18291 1 . LEU 76 76 18291 1 . SER 77 77 18291 1 . GLN 78 78 18291 1 . LEU 79 79 18291 1 . HIS 80 80 18291 1 . SER 81 81 18291 1 . GLY 82 82 18291 1 . LEU 83 83 18291 1 . PHE 84 84 18291 1 . LEU 85 85 18291 1 . TYR 86 86 18291 1 . GLN 87 87 18291 1 . GLY 88 88 18291 1 . LEU 89 89 18291 1 . LEU 90 90 18291 1 . GLN 91 91 18291 1 . ALA 92 92 18291 1 . LEU 93 93 18291 1 . GLU 94 94 18291 1 . GLY 95 95 18291 1 . ILE 96 96 18291 1 . SER 97 97 18291 1 . PRO 98 98 18291 1 . GLU 99 99 18291 1 . LEU 100 100 18291 1 . GLY 101 101 18291 1 . PRO 102 102 18291 1 . THR 103 103 18291 1 . LEU 104 104 18291 1 . ASP 105 105 18291 1 . THR 106 106 18291 1 . LEU 107 107 18291 1 . GLN 108 108 18291 1 . LEU 109 109 18291 1 . ASP 110 110 18291 1 . VAL 111 111 18291 1 . ALA 112 112 18291 1 . ASP 113 113 18291 1 . PHE 114 114 18291 1 . ALA 115 115 18291 1 . THR 116 116 18291 1 . THR 117 117 18291 1 . ILE 118 118 18291 1 . TRP 119 119 18291 1 . GLN 120 120 18291 1 . GLN 121 121 18291 1 . MET 122 122 18291 1 . GLU 123 123 18291 1 . GLU 124 124 18291 1 . LEU 125 125 18291 1 . GLY 126 126 18291 1 . MET 127 127 18291 1 . ALA 128 128 18291 1 . PRO 129 129 18291 1 . ALA 130 130 18291 1 . LEU 131 131 18291 1 . GLN 132 132 18291 1 . PRO 133 133 18291 1 . THR 134 134 18291 1 . GLN 135 135 18291 1 . GLY 136 136 18291 1 . ALA 137 137 18291 1 . MET 138 138 18291 1 . PRO 139 139 18291 1 . ALA 140 140 18291 1 . PHE 141 141 18291 1 . ALA 142 142 18291 1 . SER 143 143 18291 1 . ALA 144 144 18291 1 . PHE 145 145 18291 1 . GLN 146 146 18291 1 . ARG 147 147 18291 1 . ARG 148 148 18291 1 . ALA 149 149 18291 1 . GLY 150 150 18291 1 . GLY 151 151 18291 1 . VAL 152 152 18291 1 . LEU 153 153 18291 1 . VAL 154 154 18291 1 . ALA 155 155 18291 1 . SER 156 156 18291 1 . HIS 157 157 18291 1 . LEU 158 158 18291 1 . GLN 159 159 18291 1 . SER 160 160 18291 1 . PHE 161 161 18291 1 . LEU 162 162 18291 1 . GLU 163 163 18291 1 . VAL 164 164 18291 1 . SER 165 165 18291 1 . TYR 166 166 18291 1 . ARG 167 167 18291 1 . VAL 168 168 18291 1 . LEU 169 169 18291 1 . ARG 170 170 18291 1 . HIS 171 171 18291 1 . LEU 172 172 18291 1 . ALA 173 173 18291 1 . GLN 174 174 18291 1 . PRO 175 175 18291 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 18291 _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 $metGCSF . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . 'UniProt P09919-2 (short isoform with deletion of aminoacids 35-37 from mature protein' . . 18291 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 18291 _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 $metGCSF . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15b10 . . . . . . 18291 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18291 _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 metGCSF '[U-99% 13C; U-99% 15N]' . . 1 $metGCSF . . 1 . . mM . . . . 18291 1 2 'sodium acetate' 'natural abundance' . . . . . . 25 . . mM . . . . 18291 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18291 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18291 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 18291 _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 18291 1 pressure 1 . atm 18291 1 temperature 298 . K 18291 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18291 _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' . . 18291 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18291 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18291 _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' . . 18291 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18291 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18291 _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' . . 18291 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18291 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 18291 _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 18291 _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' . . 18291 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 18291 _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 . . . . . . . . . . . . . . . . 18291 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18291 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18291 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18291 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 18291 _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 . . . . . . . . . 18291 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18291 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18291 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 18291 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 18291 _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' . . . 18291 1 3 '3D HNCACB' . . . 18291 1 4 '3D CBCA(CO)NH' . . . 18291 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 13 172.1390 0.3 . 1 . . . . 0 MET C . 18291 1 2 . 1 1 1 1 MET CA C 13 54.9738 0.3 . 1 . . . . 0 MET CA . 18291 1 3 . 1 1 1 1 MET CB C 13 32.4522 0.3 . 1 . . . . 0 MET CB . 18291 1 4 . 1 1 2 2 THR H H 1 8.6520 0.03 . 1 . . . . 1 THR HN . 18291 1 5 . 1 1 2 2 THR CA C 13 60.1120 0.3 . 1 . . . . 1 THR CA . 18291 1 6 . 1 1 2 2 THR CB C 13 69.8827 0.3 . 1 . . . . 1 THR CB . 18291 1 7 . 1 1 2 2 THR N N 15 121.1223 0.5 . 1 . . . . 1 THR N . 18291 1 8 . 1 1 3 3 PRO C C 13 176.6130 0.3 . 1 . . . . 2 PRO C . 18291 1 9 . 1 1 3 3 PRO CA C 13 63.0547 0.3 . 1 . . . . 2 PRO CA . 18291 1 10 . 1 1 3 3 PRO CB C 13 32.0098 0.3 . 1 . . . . 2 PRO CB . 18291 1 11 . 1 1 4 4 LEU H H 1 8.3202 0.03 . 1 . . . . 3 LEU HN . 18291 1 12 . 1 1 4 4 LEU C C 13 177.5243 0.3 . 1 . . . . 3 LEU C . 18291 1 13 . 1 1 4 4 LEU CA C 13 55.1157 0.3 . 1 . . . . 3 LEU CA . 18291 1 14 . 1 1 4 4 LEU CB C 13 42.4322 0.3 . 1 . . . . 3 LEU CB . 18291 1 15 . 1 1 4 4 LEU N N 15 122.55201 0.5 . 1 . . . . 3 LEU N . 18291 1 16 . 1 1 5 5 GLY H H 1 8.1547 0.03 . 1 . . . . 4 GLY HN . 18291 1 17 . 1 1 5 5 GLY CA C 13 44.3327 0.3 . 1 . . . . 4 GLY CA . 18291 1 18 . 1 1 5 5 GLY N N 15 109.5217 0.5 . 1 . . . . 4 GLY N . 18291 1 19 . 1 1 6 6 PRO C C 13 176.6410 0.3 . 1 . . . . 5 PRO C . 18291 1 20 . 1 1 6 6 PRO CA C 13 62.7984 0.3 . 1 . . . . 5 PRO CA . 18291 1 21 . 1 1 6 6 PRO CB C 13 33.3061 0.3 . 1 . . . . 5 PRO CB . 18291 1 22 . 1 1 7 7 ALA H H 1 8.5029 0.03 . 1 . . . . 6 ALA HN . 18291 1 23 . 1 1 7 7 ALA C C 13 177.5026 0.3 . 1 . . . . 6 ALA C . 18291 1 24 . 1 1 7 7 ALA CA C 13 52.6292 0.3 . 1 . . . . 6 ALA CA . 18291 1 25 . 1 1 7 7 ALA CB C 13 19.1400 0.3 . 1 . . . . 6 ALA CB . 18291 1 26 . 1 1 7 7 ALA N N 15 124.1996 0.5 . 1 . . . . 6 ALA N . 18291 1 27 . 1 1 8 8 SER H H 1 8.2585 0.03 . 1 . . . . 7 SER HN . 18291 1 28 . 1 1 8 8 SER C C 13 173.8690 0.3 . 1 . . . . 7 SER C . 18291 1 29 . 1 1 8 8 SER CA C 13 58.4383 0.3 . 1 . . . . 7 SER CA . 18291 1 30 . 1 1 8 8 SER CB C 13 64.0013 0.3 . 1 . . . . 7 SER CB . 18291 1 31 . 1 1 8 8 SER N N 15 114.4209 0.5 . 1 . . . . 7 SER N . 18291 1 32 . 1 1 9 9 SER H H 1 8.0089 0.03 . 1 . . . . 8 SER HN . 18291 1 33 . 1 1 9 9 SER HG H 1 8.2024 0 . 1 . . . . 8 SER O . 18291 1 34 . 1 1 9 9 SER C C 13 173.4785 0.3 . 1 . . . . 8 SER C . 18291 1 35 . 1 1 9 9 SER CA C 13 58.0051 0.3 . 1 . . . . 8 SER CA . 18291 1 36 . 1 1 9 9 SER CB C 13 64.4118 0.3 . 1 . . . . 8 SER CB . 18291 1 37 . 1 1 9 9 SER N N 15 116.3642 0.5 . 1 . . . . 8 SER N . 18291 1 38 . 1 1 10 10 LEU H H 1 8.3922 0.03 . 1 . . . . 9 LEU HN . 18291 1 39 . 1 1 10 10 LEU CA C 13 51.9086 0.3 . 1 . . . . 9 LEU CA . 18291 1 40 . 1 1 10 10 LEU CB C 13 42.4900 0.3 . 1 . . . . 9 LEU CB . 18291 1 41 . 1 1 10 10 LEU N N 15 122.0369 0.5 . 1 . . . . 9 LEU N . 18291 1 42 . 1 1 11 11 PRO C C 13 178.0498 0.3 . 1 . . . . 10 PRO C . 18291 1 43 . 1 1 11 11 PRO CA C 13 62.6467 0.3 . 1 . . . . 10 PRO CA . 18291 1 44 . 1 1 11 11 PRO CB C 13 31.8480 0.3 . 1 . . . . 10 PRO CB . 18291 1 45 . 1 1 12 12 GLN H H 1 9.0636 0.03 . 1 . . . . 11 GLN HN . 18291 1 46 . 1 1 12 12 GLN C C 13 178.09995 0.3 . 1 . . . . 11 GLN C . 18291 1 47 . 1 1 12 12 GLN CA C 13 59.3523 0.3 . 1 . . . . 11 GLN CA . 18291 1 48 . 1 1 12 12 GLN CB C 13 28.1416 0.3 . 1 . . . . 11 GLN CB . 18291 1 49 . 1 1 12 12 GLN N N 15 125.4464 0.5 . 1 . . . . 11 GLN N . 18291 1 50 . 1 1 13 13 SER H H 1 8.4559 0.03 . 1 . . . . 12 SER HN . 18291 1 51 . 1 1 13 13 SER HG H 1 8.3708 0 . 1 . . . . 12 SER O . 18291 1 52 . 1 1 13 13 SER C C 13 177.06441 0.3 . 1 . . . . 12 SER C . 18291 1 53 . 1 1 13 13 SER CB C 13 61.5608 0.3 . 1 . . . . 12 SER CB . 18291 1 54 . 1 1 13 13 SER N N 15 112.4321 0.5 . 1 . . . . 12 SER N . 18291 1 55 . 1 1 14 14 PHE H H 1 6.9881 0.03 . 1 . . . . 13 PHE HN . 18291 1 56 . 1 1 14 14 PHE C C 13 176.6750 0.3 . 1 . . . . 13 PHE C . 18291 1 57 . 1 1 14 14 PHE CA C 13 60.1019 0.3 . 1 . . . . 13 PHE CA . 18291 1 58 . 1 1 14 14 PHE CB C 13 39.1997 0.3 . 1 . . . . 13 PHE CB . 18291 1 59 . 1 1 14 14 PHE N N 15 122.9490 0.5 . 1 . . . . 13 PHE N . 18291 1 60 . 1 1 15 15 LEU H H 1 7.6581 0.03 . 1 . . . . 14 LEU HN . 18291 1 61 . 1 1 15 15 LEU C C 13 178.4287 0.3 . 1 . . . . 14 LEU C . 18291 1 62 . 1 1 15 15 LEU CA C 13 58.2598 0.3 . 1 . . . . 14 LEU CA . 18291 1 63 . 1 1 15 15 LEU CB C 13 41.6880 0.3 . 1 . . . . 14 LEU CB . 18291 1 64 . 1 1 15 15 LEU N N 15 121.3924 0.5 . 1 . . . . 14 LEU N . 18291 1 65 . 1 1 16 16 LEU H H 1 8.4207 0.03 . 1 . . . . 15 LEU HN . 18291 1 66 . 1 1 16 16 LEU C C 13 179.9274 0.3 . 1 . . . . 15 LEU C . 18291 1 67 . 1 1 16 16 LEU CA C 13 58.1742 0.3 . 1 . . . . 15 LEU CA . 18291 1 68 . 1 1 16 16 LEU CB C 13 41.0335 0.3 . 1 . . . . 15 LEU CB . 18291 1 69 . 1 1 16 16 LEU N N 15 117.1050 0.5 . 1 . . . . 15 LEU N . 18291 1 70 . 1 1 17 17 LYS H H 1 7.4693 0.03 . 1 . . . . 16 LYS HN . 18291 1 71 . 1 1 17 17 LYS C C 13 179.1222 0.3 . 1 . . . . 16 LYS C . 18291 1 72 . 1 1 17 17 LYS CA C 13 59.2484 0.3 . 1 . . . . 16 LYS CA . 18291 1 73 . 1 1 17 17 LYS CB C 13 31.7365 0.3 . 1 . . . . 16 LYS CB . 18291 1 74 . 1 1 17 17 LYS N N 15 120.7420 0.5 . 1 . . . . 16 LYS N . 18291 1 75 . 1 1 18 18 CYS H H 1 8.0654 0.03 . 1 . . . . 17 CYS HN . 18291 1 76 . 1 1 18 18 CYS C C 13 176.5988 0.3 . 1 . . . . 17 CYS C . 18291 1 77 . 1 1 18 18 CYS CA C 13 64.0416 0.3 . 1 . . . . 17 CYS CA . 18291 1 78 . 1 1 18 18 CYS CB C 13 27.7642 0.3 . 1 . . . . 17 CYS CB . 18291 1 79 . 1 1 18 18 CYS N N 15 116.6790 0.5 . 1 . . . . 17 CYS N . 18291 1 80 . 1 1 19 19 LEU H H 1 8.0837 0.03 . 1 . . . . 18 LEU HN . 18291 1 81 . 1 1 19 19 LEU C C 13 179.0168 0.3 . 1 . . . . 18 LEU C . 18291 1 82 . 1 1 19 19 LEU CA C 13 58.6347 0.3 . 1 . . . . 18 LEU CA . 18291 1 83 . 1 1 19 19 LEU CB C 13 40.8363 0.3 . 1 . . . . 18 LEU CB . 18291 1 84 . 1 1 19 19 LEU N N 15 118.8631 0.5 . 1 . . . . 18 LEU N . 18291 1 85 . 1 1 20 20 GLU H H 1 7.5692 0.03 . 1 . . . . 19 GLU HN . 18291 1 86 . 1 1 20 20 GLU C C 13 179.3011 0.3 . 1 . . . . 19 GLU C . 18291 1 87 . 1 1 20 20 GLU CA C 13 58.8540 0.3 . 1 . . . . 19 GLU CA . 18291 1 88 . 1 1 20 20 GLU CB C 13 28.2739 0.3 . 1 . . . . 19 GLU CB . 18291 1 89 . 1 1 20 20 GLU N N 15 118.3032 0.5 . 1 . . . . 19 GLU N . 18291 1 90 . 1 1 21 21 GLN H H 1 8.1124 0.03 . 1 . . . . 20 GLN HN . 18291 1 91 . 1 1 21 21 GLN C C 13 178.6334 0.3 . 1 . . . . 20 GLN C . 18291 1 92 . 1 1 21 21 GLN CA C 13 59.3216 0.3 . 1 . . . . 20 GLN CA . 18291 1 93 . 1 1 21 21 GLN CB C 13 27.6387 0.3 . 1 . . . . 20 GLN CB . 18291 1 94 . 1 1 21 21 GLN N N 15 120.8980 0.5 . 1 . . . . 20 GLN N . 18291 1 95 . 1 1 22 22 VAL H H 1 8.3802 0.03 . 1 . . . . 21 VAL HN . 18291 1 96 . 1 1 22 22 VAL C C 13 177.3914 0.3 . 1 . . . . 21 VAL C . 18291 1 97 . 1 1 22 22 VAL CA C 13 67.5478 0.3 . 1 . . . . 21 VAL CA . 18291 1 98 . 1 1 22 22 VAL CB C 13 31.1559 0.3 . 1 . . . . 21 VAL CB . 18291 1 99 . 1 1 22 22 VAL N N 15 119.7129 0.5 . 1 . . . . 21 VAL N . 18291 1 100 . 1 1 23 23 ARG H H 1 7.5237 0.03 . 1 . . . . 22 ARG HN . 18291 1 101 . 1 1 23 23 ARG C C 13 179.7464 0.3 . 1 . . . . 22 ARG C . 18291 1 102 . 1 1 23 23 ARG CA C 13 58.8432 0.3 . 1 . . . . 22 ARG CA . 18291 1 103 . 1 1 23 23 ARG CB C 13 29.7854 0.3 . 1 . . . . 22 ARG CB . 18291 1 104 . 1 1 23 23 ARG N N 15 117.7260 0.5 . 1 . . . . 22 ARG N . 18291 1 105 . 1 1 24 24 LYS H H 1 7.8296 0.03 . 1 . . . . 23 LYS HN . 18291 1 106 . 1 1 24 24 LYS C C 13 179.0314 0.3 . 1 . . . . 23 LYS C . 18291 1 107 . 1 1 24 24 LYS CA C 13 59.2464 0.3 . 1 . . . . 23 LYS CA . 18291 1 108 . 1 1 24 24 LYS CB C 13 32.7713 0.3 . 1 . . . . 23 LYS CB . 18291 1 109 . 1 1 24 24 LYS N N 15 121.7632 0.5 . 1 . . . . 23 LYS N . 18291 1 110 . 1 1 25 25 ILE H H 1 8.1865 0.03 . 1 . . . . 24 ILE HN . 18291 1 111 . 1 1 25 25 ILE C C 13 177.1740 0.3 . 1 . . . . 24 ILE C . 18291 1 112 . 1 1 25 25 ILE CA C 13 65.0398 0.3 . 1 . . . . 24 ILE CA . 18291 1 113 . 1 1 25 25 ILE CB C 13 37.1495 0.3 . 1 . . . . 24 ILE CB . 18291 1 114 . 1 1 25 25 ILE N N 15 119.5047 0.5 . 1 . . . . 24 ILE N . 18291 1 115 . 1 1 26 26 GLN H H 1 8.7435 0.03 . 1 . . . . 25 GLN HN . 18291 1 116 . 1 1 26 26 GLN C C 13 180.3196 0.3 . 1 . . . . 25 GLN C . 18291 1 117 . 1 1 26 26 GLN CA C 13 59.3795 0.3 . 1 . . . . 25 GLN CA . 18291 1 118 . 1 1 26 26 GLN CB C 13 28.5986 0.3 . 1 . . . . 25 GLN CB . 18291 1 119 . 1 1 26 26 GLN N N 15 121.6978 0.5 . 1 . . . . 25 GLN N . 18291 1 120 . 1 1 27 27 GLY H H 1 7.9555 0.03 . 1 . . . . 26 GLY HN . 18291 1 121 . 1 1 27 27 GLY C C 13 176.9497 0.3 . 1 . . . . 26 GLY C . 18291 1 122 . 1 1 27 27 GLY CA C 13 47.0911 0.3 . 1 . . . . 26 GLY CA . 18291 1 123 . 1 1 27 27 GLY N N 15 107.6045 0.5 . 1 . . . . 26 GLY N . 18291 1 124 . 1 1 28 28 ASP H H 1 8.3773 0.03 . 1 . . . . 27 ASP HN . 18291 1 125 . 1 1 28 28 ASP C C 13 179.5119 0.3 . 1 . . . . 27 ASP C . 18291 1 126 . 1 1 28 28 ASP CA C 13 55.7854 0.3 . 1 . . . . 27 ASP CA . 18291 1 127 . 1 1 28 28 ASP CB C 13 39.3600 0.3 . 1 . . . . 27 ASP CB . 18291 1 128 . 1 1 28 28 ASP N N 15 124.1398 0.5 . 1 . . . . 27 ASP N . 18291 1 129 . 1 1 29 29 GLY H H 1 9.2427 0.03 . 1 . . . . 28 GLY HN . 18291 1 130 . 1 1 29 29 GLY CA C 13 46.7557 0.3 . 1 . . . . 28 GLY CA . 18291 1 131 . 1 1 29 29 GLY N N 15 109.5566 0.5 . 1 . . . . 28 GLY N . 18291 1 132 . 1 1 30 30 ALA C C 13 174.9988 0.3 . 1 . . . . 29 ALA C . 18291 1 133 . 1 1 31 31 ALA H H 1 8.1709 0.03 . 1 . . . . 30 ALA HN . 18291 1 134 . 1 1 31 31 ALA C C 13 180.4362 0.3 . 1 . . . . 30 ALA C . 18291 1 135 . 1 1 31 31 ALA CA C 13 54.9655 0.3 . 1 . . . . 30 ALA CA . 18291 1 136 . 1 1 31 31 ALA CB C 13 17.6428 0.3 . 1 . . . . 30 ALA CB . 18291 1 137 . 1 1 31 31 ALA N N 15 125.6114 0.5 . 1 . . . . 30 ALA N . 18291 1 138 . 1 1 32 32 LEU H H 1 7.5243 0.03 . 1 . . . . 31 LEU HN . 18291 1 139 . 1 1 32 32 LEU C C 13 177.8584 0.3 . 1 . . . . 31 LEU C . 18291 1 140 . 1 1 32 32 LEU CA C 13 58.2207 0.3 . 1 . . . . 31 LEU CA . 18291 1 141 . 1 1 32 32 LEU CB C 13 41.5459 0.3 . 1 . . . . 31 LEU CB . 18291 1 142 . 1 1 32 32 LEU N N 15 118.6138 0.5 . 1 . . . . 31 LEU N . 18291 1 143 . 1 1 33 33 GLN H H 1 8.4205 0.03 . 1 . . . . 32 GLN HN . 18291 1 144 . 1 1 33 33 GLN C C 13 179.1516 0.3 . 1 . . . . 32 GLN C . 18291 1 145 . 1 1 33 33 GLN CA C 13 60.0398 0.3 . 1 . . . . 32 GLN CA . 18291 1 146 . 1 1 33 33 GLN CB C 13 29.3034 0.3 . 1 . . . . 32 GLN CB . 18291 1 147 . 1 1 33 33 GLN N N 15 117.8790 0.5 . 1 . . . . 32 GLN N . 18291 1 148 . 1 1 34 34 GLU H H 1 8.6330 0.03 . 1 . . . . 33 GLU HN . 18291 1 149 . 1 1 34 34 GLU C C 13 178.8559 0.3 . 1 . . . . 33 GLU C . 18291 1 150 . 1 1 34 34 GLU CA C 13 59.2204 0.3 . 1 . . . . 33 GLU CA . 18291 1 151 . 1 1 34 34 GLU CB C 13 27.7006 0.3 . 1 . . . . 33 GLU CB . 18291 1 152 . 1 1 34 34 GLU N N 15 120.3574 0.5 . 1 . . . . 33 GLU N . 18291 1 153 . 1 1 35 35 LYS H H 1 8.0092 0.03 . 1 . . . . 34 LYS HN . 18291 1 154 . 1 1 35 35 LYS C C 13 180.3078 0.3 . 1 . . . . 34 LYS C . 18291 1 155 . 1 1 35 35 LYS CA C 13 59.2097 0.3 . 1 . . . . 34 LYS CA . 18291 1 156 . 1 1 35 35 LYS CB C 13 32.5502 0.3 . 1 . . . . 34 LYS CB . 18291 1 157 . 1 1 35 35 LYS N N 15 120.4419 0.5 . 1 . . . . 34 LYS N . 18291 1 158 . 1 1 36 36 LEU H H 1 8.5430 0.03 . 1 . . . . 35 LEU HN . 18291 1 159 . 1 1 36 36 LEU C C 13 178.9272 0.3 . 1 . . . . 35 LEU C . 18291 1 160 . 1 1 36 36 LEU CA C 13 58.8475 0.3 . 1 . . . . 35 LEU CA . 18291 1 161 . 1 1 36 36 LEU CB C 13 41.6857 0.3 . 1 . . . . 35 LEU CB . 18291 1 162 . 1 1 36 36 LEU N N 15 122.0486 0.5 . 1 . . . . 35 LEU N . 18291 1 163 . 1 1 37 37 CYS H H 1 7.8771 0.03 . 1 . . . . 36 CYS HN . 18291 1 164 . 1 1 37 37 CYS C C 13 176.9599 0.3 . 1 . . . . 36 CYS C . 18291 1 165 . 1 1 37 37 CYS CA C 13 57.0144 0.3 . 1 . . . . 36 CYS CA . 18291 1 166 . 1 1 37 37 CYS CB C 13 37.9360 0.3 . 1 . . . . 36 CYS CB . 18291 1 167 . 1 1 37 37 CYS N N 15 118.0926 0.5 . 1 . . . . 36 CYS N . 18291 1 168 . 1 1 38 38 ALA H H 1 8.7607 0.03 . 1 . . . . 37 ALA HN . 18291 1 169 . 1 1 38 38 ALA C C 13 179.3554 0.3 . 1 . . . . 37 ALA C . 18291 1 170 . 1 1 38 38 ALA CA C 13 55.1712 0.3 . 1 . . . . 37 ALA CA . 18291 1 171 . 1 1 38 38 ALA CB C 13 18.7942 0.3 . 1 . . . . 37 ALA CB . 18291 1 172 . 1 1 38 38 ALA N N 15 123.2651 0.5 . 1 . . . . 37 ALA N . 18291 1 173 . 1 1 39 39 THR H H 1 8.1248 0.03 . 1 . . . . 38 THR HN . 18291 1 174 . 1 1 39 39 THR C C 13 175.2434 0.3 . 1 . . . . 38 THR C . 18291 1 175 . 1 1 39 39 THR CA C 13 65.6555 0.3 . 1 . . . . 38 THR CA . 18291 1 176 . 1 1 39 39 THR CB C 13 69.3714 0.3 . 1 . . . . 38 THR CB . 18291 1 177 . 1 1 39 39 THR N N 15 110.2997 0.5 . 1 . . . . 38 THR N . 18291 1 178 . 1 1 40 40 TYR H H 1 7.0610 0.03 . 1 . . . . 39 TYR HN . 18291 1 179 . 1 1 40 40 TYR C C 13 174.5590 0.3 . 1 . . . . 39 TYR C . 18291 1 180 . 1 1 40 40 TYR CA C 13 56.8537 0.3 . 1 . . . . 39 TYR CA . 18291 1 181 . 1 1 40 40 TYR CB C 13 39.4129 0.3 . 1 . . . . 39 TYR CB . 18291 1 182 . 1 1 40 40 TYR N N 15 115.5601 0.5 . 1 . . . . 39 TYR N . 18291 1 183 . 1 1 41 41 LYS H H 1 7.6169 0.03 . 1 . . . . 40 LYS HN . 18291 1 184 . 1 1 41 41 LYS C C 13 176.0637 0.3 . 1 . . . . 40 LYS C . 18291 1 185 . 1 1 41 41 LYS CA C 13 57.6393 0.3 . 1 . . . . 40 LYS CA . 18291 1 186 . 1 1 41 41 LYS CB C 13 28.3820 0.3 . 1 . . . . 40 LYS CB . 18291 1 187 . 1 1 41 41 LYS N N 15 114.3457 0.5 . 1 . . . . 40 LYS N . 18291 1 188 . 1 1 42 42 LEU H H 1 6.9094 0.03 . 1 . . . . 41 LEU HN . 18291 1 189 . 1 1 42 42 LEU C C 13 175.3358 0.3 . 1 . . . . 41 LEU C . 18291 1 190 . 1 1 42 42 LEU CA C 13 53.4087 0.3 . 1 . . . . 41 LEU CA . 18291 1 191 . 1 1 42 42 LEU CB C 13 41.9083 0.3 . 1 . . . . 41 LEU CB . 18291 1 192 . 1 1 42 42 LEU N N 15 121.3317 0.5 . 1 . . . . 41 LEU N . 18291 1 193 . 1 1 43 43 CYS H H 1 8.0182 0.03 . 1 . . . . 42 CYS HN . 18291 1 194 . 1 1 43 43 CYS CA C 13 56.9513 0.3 . 1 . . . . 42 CYS CA . 18291 1 195 . 1 1 43 43 CYS CB C 13 42.3314 0.3 . 1 . . . . 42 CYS CB . 18291 1 196 . 1 1 43 43 CYS N N 15 118.4958 0.5 . 1 . . . . 42 CYS N . 18291 1 197 . 1 1 45 45 PRO C C 13 177.7481 0.3 . 1 . . . . 44 PRO C . 18291 1 198 . 1 1 45 45 PRO CA C 13 62.7564 0.3 . 1 . . . . 44 PRO CA . 18291 1 199 . 1 1 46 46 GLU H H 1 8.0705 0.03 . 1 . . . . 45 GLU HN . 18291 1 200 . 1 1 46 46 GLU C C 13 177.9809 0.3 . 1 . . . . 45 GLU C . 18291 1 201 . 1 1 46 46 GLU CA C 13 59.2206 0.3 . 1 . . . . 45 GLU CA . 18291 1 202 . 1 1 46 46 GLU CB C 13 27.6428 0.3 . 1 . . . . 45 GLU CB . 18291 1 203 . 1 1 46 46 GLU N N 15 120.8981 0.5 . 1 . . . . 45 GLU N . 18291 1 204 . 1 1 47 47 GLU H H 1 7.5810 0.03 . 1 . . . . 46 GLU HN . 18291 1 205 . 1 1 47 47 GLU C C 13 177.1098 0.3 . 1 . . . . 46 GLU C . 18291 1 206 . 1 1 47 47 GLU CA C 13 56.9563 0.3 . 1 . . . . 46 GLU CA . 18291 1 207 . 1 1 47 47 GLU CB C 13 29.4052 0.3 . 1 . . . . 46 GLU CB . 18291 1 208 . 1 1 47 47 GLU N N 15 117.2580 0.5 . 1 . . . . 46 GLU N . 18291 1 209 . 1 1 48 48 LEU H H 1 7.6371 0.03 . 1 . . . . 47 LEU HN . 18291 1 210 . 1 1 48 48 LEU C C 13 176.5733 0.3 . 1 . . . . 47 LEU C . 18291 1 211 . 1 1 48 48 LEU CA C 13 53.9362 0.3 . 1 . . . . 47 LEU CA . 18291 1 212 . 1 1 48 48 LEU CB C 13 42.3493 0.3 . 1 . . . . 47 LEU CB . 18291 1 213 . 1 1 48 48 LEU N N 15 118.3376 0.5 . 1 . . . . 47 LEU N . 18291 1 214 . 1 1 49 49 VAL H H 1 7.0936 0.03 . 1 . . . . 48 VAL HN . 18291 1 215 . 1 1 49 49 VAL C C 13 178.2778 0.3 . 1 . . . . 48 VAL C . 18291 1 216 . 1 1 49 49 VAL CA C 13 65.6933 0.3 . 1 . . . . 48 VAL CA . 18291 1 217 . 1 1 49 49 VAL CB C 13 31.8385 0.3 . 1 . . . . 48 VAL CB . 18291 1 218 . 1 1 49 49 VAL N N 15 119.3736 0.5 . 1 . . . . 48 VAL N . 18291 1 219 . 1 1 50 50 LEU H H 1 8.5027 0.03 . 1 . . . . 49 LEU HN . 18291 1 220 . 1 1 50 50 LEU C C 13 179.6926 0.3 . 1 . . . . 49 LEU C . 18291 1 221 . 1 1 50 50 LEU CA C 13 58.1435 0.3 . 1 . . . . 49 LEU CA . 18291 1 222 . 1 1 50 50 LEU CB C 13 40.5571 0.3 . 1 . . . . 49 LEU CB . 18291 1 223 . 1 1 50 50 LEU N N 15 121.8697 0.5 . 1 . . . . 49 LEU N . 18291 1 224 . 1 1 51 51 LEU H H 1 7.9242 0.03 . 1 . . . . 50 LEU HN . 18291 1 225 . 1 1 51 51 LEU C C 13 179.3625 0.3 . 1 . . . . 50 LEU C . 18291 1 226 . 1 1 51 51 LEU CA C 13 57.3394 0.3 . 1 . . . . 50 LEU CA . 18291 1 227 . 1 1 51 51 LEU CB C 13 41.0458 0.3 . 1 . . . . 50 LEU CB . 18291 1 228 . 1 1 51 51 LEU N N 15 122.3075 0.5 . 1 . . . . 50 LEU N . 18291 1 229 . 1 1 52 52 GLY H H 1 8.2562 0.03 . 1 . . . . 51 GLY HN . 18291 1 230 . 1 1 52 52 GLY C C 13 175.9533 0.3 . 1 . . . . 51 GLY C . 18291 1 231 . 1 1 52 52 GLY CA C 13 48.0221 0.3 . 1 . . . . 51 GLY CA . 18291 1 232 . 1 1 52 52 GLY N N 15 105.4139 0.5 . 1 . . . . 51 GLY N . 18291 1 233 . 1 1 53 53 HIS H H 1 7.9775 0.03 . 1 . . . . 52 HIS HN . 18291 1 234 . 1 1 53 53 HIS C C 13 177.2253 0.3 . 1 . . . . 52 HIS C . 18291 1 235 . 1 1 53 53 HIS CA C 13 57.9274 0.3 . 1 . . . . 52 HIS CA . 18291 1 236 . 1 1 53 53 HIS CB C 13 28.1760 0.3 . 1 . . . . 52 HIS CB . 18291 1 237 . 1 1 53 53 HIS N N 15 118.5258 0.5 . 1 . . . . 52 HIS N . 18291 1 238 . 1 1 54 54 SER H H 1 8.4991 0.03 . 1 . . . . 53 SER HN . 18291 1 239 . 1 1 54 54 SER C C 13 175.8807 0.3 . 1 . . . . 53 SER C . 18291 1 240 . 1 1 54 54 SER CA C 13 61.0813 0.3 . 1 . . . . 53 SER CA . 18291 1 241 . 1 1 54 54 SER CB C 13 62.8960 0.3 . 1 . . . . 53 SER CB . 18291 1 242 . 1 1 54 54 SER N N 15 117.1628 0.5 . 1 . . . . 53 SER N . 18291 1 243 . 1 1 55 55 LEU H H 1 8.0406 0.03 . 1 . . . . 54 LEU HN . 18291 1 244 . 1 1 55 55 LEU C C 13 177.4235 0.3 . 1 . . . . 54 LEU C . 18291 1 245 . 1 1 55 55 LEU CA C 13 55.3938 0.3 . 1 . . . . 54 LEU CA . 18291 1 246 . 1 1 55 55 LEU CB C 13 42.9082 0.3 . 1 . . . . 54 LEU CB . 18291 1 247 . 1 1 55 55 LEU N N 15 119.6157 0.5 . 1 . . . . 54 LEU N . 18291 1 248 . 1 1 56 56 GLY H H 1 7.5334 0.03 . 1 . . . . 55 GLY HN . 18291 1 249 . 1 1 56 56 GLY C C 13 174.6359 0.3 . 1 . . . . 55 GLY C . 18291 1 250 . 1 1 56 56 GLY CA C 13 46.4678 0.3 . 1 . . . . 55 GLY CA . 18291 1 251 . 1 1 56 56 GLY N N 15 107.0268 0.5 . 1 . . . . 55 GLY N . 18291 1 252 . 1 1 57 57 ILE H H 1 7.3662 0.03 . 1 . . . . 56 ILE HN . 18291 1 253 . 1 1 57 57 ILE CA C 13 59.1937 0.3 . 1 . . . . 56 ILE CA . 18291 1 254 . 1 1 57 57 ILE CB C 13 38.1784 0.3 . 1 . . . . 56 ILE CB . 18291 1 255 . 1 1 57 57 ILE N N 15 119.5264 0.5 . 1 . . . . 56 ILE N . 18291 1 256 . 1 1 58 58 PRO C C 13 174.3832 0.3 . 1 . . . . 57 PRO C . 18291 1 257 . 1 1 58 58 PRO CA C 13 61.6261 0.3 . 1 . . . . 57 PRO CA . 18291 1 258 . 1 1 58 58 PRO CB C 13 31.1487 0.3 . 1 . . . . 57 PRO CB . 18291 1 259 . 1 1 59 59 TRP H H 1 7.7738 0.03 . 1 . . . . 58 TRP HN . 18291 1 260 . 1 1 59 59 TRP C C 13 176.2669 0.3 . 1 . . . . 58 TRP C . 18291 1 261 . 1 1 59 59 TRP CA C 13 55.0740 0.3 . 1 . . . . 58 TRP CA . 18291 1 262 . 1 1 59 59 TRP CB C 13 30.3446 0.3 . 1 . . . . 58 TRP CB . 18291 1 263 . 1 1 59 59 TRP N N 15 120.1639 0.5 . 1 . . . . 58 TRP N . 18291 1 264 . 1 1 60 60 ALA H H 1 7.2145 0.03 . 1 . . . . 59 ALA HN . 18291 1 265 . 1 1 60 60 ALA CA C 13 50.0528 0.3 . 1 . . . . 59 ALA CA . 18291 1 266 . 1 1 60 60 ALA CB C 13 20.0504 0.3 . 1 . . . . 59 ALA CB . 18291 1 267 . 1 1 60 60 ALA N N 15 126.2159 0.5 . 1 . . . . 59 ALA N . 18291 1 268 . 1 1 61 61 PRO C C 13 176.2366 0.3 . 1 . . . . 60 PRO C . 18291 1 269 . 1 1 61 61 PRO CA C 13 62.2187 0.3 . 1 . . . . 60 PRO CA . 18291 1 270 . 1 1 61 61 PRO CB C 13 33.4250 0.3 . 1 . . . . 60 PRO CB . 18291 1 271 . 1 1 62 62 LEU H H 1 8.5226 0.03 . 1 . . . . 61 LEU HN . 18291 1 272 . 1 1 62 62 LEU C C 13 178.0305 0.3 . 1 . . . . 61 LEU C . 18291 1 273 . 1 1 62 62 LEU CA C 13 54.4692 0.3 . 1 . . . . 61 LEU CA . 18291 1 274 . 1 1 62 62 LEU CB C 13 42.4693 0.3 . 1 . . . . 61 LEU CB . 18291 1 275 . 1 1 62 62 LEU N N 15 120.6716 0.5 . 1 . . . . 61 LEU N . 18291 1 276 . 1 1 63 63 SER H H 1 7.4441 0.03 . 1 . . . . 62 SER HN . 18291 1 277 . 1 1 63 63 SER C C 13 175.9762 0.3 . 1 . . . . 62 SER C . 18291 1 278 . 1 1 63 63 SER CA C 13 59.3732 0.3 . 1 . . . . 62 SER CA . 18291 1 279 . 1 1 63 63 SER CB C 13 63.4634 0.3 . 1 . . . . 62 SER CB . 18291 1 280 . 1 1 63 63 SER N N 15 116.2033 0.5 . 1 . . . . 62 SER N . 18291 1 281 . 1 1 64 64 SER H H 1 9.7399 0.03 . 1 . . . . 63 SER HN . 18291 1 282 . 1 1 64 64 SER C C 13 173.0742 0.3 . 1 . . . . 63 SER C . 18291 1 283 . 1 1 64 64 SER CA C 13 58.6951 0.3 . 1 . . . . 63 SER CA . 18291 1 284 . 1 1 64 64 SER CB C 13 62.9267 0.3 . 1 . . . . 63 SER CB . 18291 1 285 . 1 1 64 64 SER N N 15 118.5279 0.5 . 1 . . . . 63 SER N . 18291 1 286 . 1 1 65 65 CYS H H 1 7.9127 0.03 . 1 . . . . 64 CYS HN . 18291 1 287 . 1 1 65 65 CYS CA C 13 53.4642 0.3 . 1 . . . . 64 CYS CA . 18291 1 288 . 1 1 65 65 CYS CB C 13 43.4190 0.3 . 1 . . . . 64 CYS CB . 18291 1 289 . 1 1 65 65 CYS N N 15 118.0689 0.5 . 1 . . . . 64 CYS N . 18291 1 290 . 1 1 66 66 PRO C C 13 176.0391 0.3 . 1 . . . . 65 PRO C . 18291 1 291 . 1 1 66 66 PRO CA C 13 63.5054 0.3 . 1 . . . . 65 PRO CA . 18291 1 292 . 1 1 66 66 PRO CB C 13 32.2921 0.3 . 1 . . . . 65 PRO CB . 18291 1 293 . 1 1 67 67 SER H H 1 8.2844 0.03 . 1 . . . . 66 SER HN . 18291 1 294 . 1 1 67 67 SER C C 13 174.6228 0.3 . 1 . . . . 66 SER C . 18291 1 295 . 1 1 67 67 SER CA C 13 60.3261 0.3 . 1 . . . . 66 SER CA . 18291 1 296 . 1 1 67 67 SER CB C 13 63.1678 0.3 . 1 . . . . 66 SER CB . 18291 1 297 . 1 1 67 67 SER N N 15 113.1482 0.5 . 1 . . . . 66 SER N . 18291 1 298 . 1 1 68 68 GLN H H 1 7.7755 0.03 . 1 . . . . 67 GLN HN . 18291 1 299 . 1 1 68 68 GLN C C 13 174.5912 0.3 . 1 . . . . 67 GLN C . 18291 1 300 . 1 1 68 68 GLN CA C 13 55.2773 0.3 . 1 . . . . 67 GLN CA . 18291 1 301 . 1 1 68 68 GLN CB C 13 29.6810 0.3 . 1 . . . . 67 GLN CB . 18291 1 302 . 1 1 68 68 GLN N N 15 117.9540 0.5 . 1 . . . . 67 GLN N . 18291 1 303 . 1 1 69 69 ALA H H 1 8.3349 0.03 . 1 . . . . 68 ALA HN . 18291 1 304 . 1 1 69 69 ALA C C 13 176.1785 0.3 . 1 . . . . 68 ALA C . 18291 1 305 . 1 1 69 69 ALA CA C 13 52.4887 0.3 . 1 . . . . 68 ALA CA . 18291 1 306 . 1 1 69 69 ALA CB C 13 17.4826 0.3 . 1 . . . . 68 ALA CB . 18291 1 307 . 1 1 69 69 ALA N N 15 123.4353 0.5 . 1 . . . . 68 ALA N . 18291 1 308 . 1 1 70 70 LEU H H 1 7.7381 0.03 . 1 . . . . 69 LEU HN . 18291 1 309 . 1 1 70 70 LEU C C 13 176.8110 0.3 . 1 . . . . 69 LEU C . 18291 1 310 . 1 1 70 70 LEU CA C 13 56.5618 0.3 . 1 . . . . 69 LEU CA . 18291 1 311 . 1 1 70 70 LEU CB C 13 42.0712 0.3 . 1 . . . . 69 LEU CB . 18291 1 312 . 1 1 70 70 LEU N N 15 120.6318 0.5 . 1 . . . . 69 LEU N . 18291 1 313 . 1 1 71 71 GLN H H 1 8.7525 0.03 . 1 . . . . 70 GLN HN . 18291 1 314 . 1 1 71 71 GLN C C 13 175.9599 0.3 . 1 . . . . 70 GLN C . 18291 1 315 . 1 1 71 71 GLN CA C 13 54.5200 0.3 . 1 . . . . 70 GLN CA . 18291 1 316 . 1 1 71 71 GLN CB C 13 28.6746 0.3 . 1 . . . . 70 GLN CB . 18291 1 317 . 1 1 71 71 GLN N N 15 125.7662 0.5 . 1 . . . . 70 GLN N . 18291 1 318 . 1 1 72 72 LEU H H 1 8.6198 0.03 . 1 . . . . 71 LEU HN . 18291 1 319 . 1 1 72 72 LEU C C 13 177.7775 0.3 . 1 . . . . 71 LEU C . 18291 1 320 . 1 1 72 72 LEU CA C 13 59.1079 0.3 . 1 . . . . 71 LEU CA . 18291 1 321 . 1 1 72 72 LEU CB C 13 42.1438 0.3 . 1 . . . . 71 LEU CB . 18291 1 322 . 1 1 72 72 LEU N N 15 126.2342 0.5 . 1 . . . . 71 LEU N . 18291 1 323 . 1 1 73 73 ALA H H 1 8.8370 0.03 . 1 . . . . 72 ALA HN . 18291 1 324 . 1 1 73 73 ALA C C 13 180.6543 0.3 . 1 . . . . 72 ALA C . 18291 1 325 . 1 1 73 73 ALA CA C 13 56.2658 0.3 . 1 . . . . 72 ALA CA . 18291 1 326 . 1 1 73 73 ALA CB C 13 17.6782 0.3 . 1 . . . . 72 ALA CB . 18291 1 327 . 1 1 73 73 ALA N N 15 120.0952 0.5 . 1 . . . . 72 ALA N . 18291 1 328 . 1 1 74 74 GLY H H 1 7.8173 0.03 . 1 . . . . 73 GLY HN . 18291 1 329 . 1 1 74 74 GLY C C 13 176.0450 0.3 . 1 . . . . 73 GLY C . 18291 1 330 . 1 1 74 74 GLY CA C 13 46.9440 0.3 . 1 . . . . 73 GLY CA . 18291 1 331 . 1 1 74 74 GLY N N 15 105.8788 0.5 . 1 . . . . 73 GLY N . 18291 1 332 . 1 1 75 75 CYS H H 1 8.1862 0.03 . 1 . . . . 74 CYS HN . 18291 1 333 . 1 1 75 75 CYS C C 13 176.0802 0.3 . 1 . . . . 74 CYS C . 18291 1 334 . 1 1 75 75 CYS CA C 13 58.5254 0.3 . 1 . . . . 74 CYS CA . 18291 1 335 . 1 1 75 75 CYS CB C 13 38.8282 0.3 . 1 . . . . 74 CYS CB . 18291 1 336 . 1 1 75 75 CYS N N 15 120.2914 0.5 . 1 . . . . 74 CYS N . 18291 1 337 . 1 1 76 76 LEU H H 1 8.7381 0.03 . 1 . . . . 75 LEU HN . 18291 1 338 . 1 1 76 76 LEU C C 13 178.8094 0.3 . 1 . . . . 75 LEU C . 18291 1 339 . 1 1 76 76 LEU CA C 13 58.5891 0.3 . 1 . . . . 75 LEU CA . 18291 1 340 . 1 1 76 76 LEU CB C 13 40.5475 0.3 . 1 . . . . 75 LEU CB . 18291 1 341 . 1 1 76 76 LEU N N 15 117.6004 0.5 . 1 . . . . 75 LEU N . 18291 1 342 . 1 1 77 77 SER H H 1 8.1270 0.03 . 1 . . . . 76 SER HN . 18291 1 343 . 1 1 77 77 SER C C 13 174.9266 0.3 . 1 . . . . 76 SER C . 18291 1 344 . 1 1 77 77 SER CA C 13 59.5097 0.3 . 1 . . . . 76 SER CA . 18291 1 345 . 1 1 77 77 SER CB C 13 63.3510 0.3 . 1 . . . . 76 SER CB . 18291 1 346 . 1 1 77 77 SER N N 15 111.9514 0.5 . 1 . . . . 76 SER N . 18291 1 347 . 1 1 78 78 GLN H H 1 8.1219 0.03 . 1 . . . . 77 GLN HN . 18291 1 348 . 1 1 78 78 GLN C C 13 180.3370 0.3 . 1 . . . . 77 GLN C . 18291 1 349 . 1 1 78 78 GLN CA C 13 59.7696 0.3 . 1 . . . . 77 GLN CA . 18291 1 350 . 1 1 78 78 GLN CB C 13 29.0042 0.3 . 1 . . . . 77 GLN CB . 18291 1 351 . 1 1 78 78 GLN N N 15 119.5472 0.5 . 1 . . . . 77 GLN N . 18291 1 352 . 1 1 79 79 LEU H H 1 8.9558 0.03 . 1 . . . . 78 LEU HN . 18291 1 353 . 1 1 79 79 LEU C C 13 178.4616 0.3 . 1 . . . . 78 LEU C . 18291 1 354 . 1 1 79 79 LEU CA C 13 58.8351 0.3 . 1 . . . . 78 LEU CA . 18291 1 355 . 1 1 79 79 LEU CB C 13 42.1911 0.3 . 1 . . . . 78 LEU CB . 18291 1 356 . 1 1 79 79 LEU N N 15 124.4747 0.5 . 1 . . . . 78 LEU N . 18291 1 357 . 1 1 80 80 HIS H H 1 8.9270 0.03 . 1 . . . . 79 HIS HN . 18291 1 358 . 1 1 80 80 HIS C C 13 176.3051 0.3 . 1 . . . . 79 HIS C . 18291 1 359 . 1 1 80 80 HIS CA C 13 62.5849 0.3 . 1 . . . . 79 HIS CA . 18291 1 360 . 1 1 80 80 HIS CB C 13 28.3660 0.3 . 1 . . . . 79 HIS CB . 18291 1 361 . 1 1 80 80 HIS N N 15 116.4360 0.5 . 1 . . . . 79 HIS N . 18291 1 362 . 1 1 81 81 SER H H 1 9.1175 0.03 . 1 . . . . 80 SER HN . 18291 1 363 . 1 1 81 81 SER C C 13 177.5622 0.3 . 1 . . . . 80 SER C . 18291 1 364 . 1 1 81 81 SER CB C 13 62.3782 0.3 . 1 . . . . 80 SER CB . 18291 1 365 . 1 1 81 81 SER N N 15 114.9584 0.5 . 1 . . . . 80 SER N . 18291 1 366 . 1 1 82 82 GLY H H 1 8.5714 0.03 . 1 . . . . 81 GLY HN . 18291 1 367 . 1 1 82 82 GLY C C 13 174.5990 0.3 . 1 . . . . 81 GLY C . 18291 1 368 . 1 1 82 82 GLY CA C 13 48.0752 0.3 . 1 . . . . 81 GLY CA . 18291 1 369 . 1 1 82 82 GLY N N 15 111.3064 0.5 . 1 . . . . 81 GLY N . 18291 1 370 . 1 1 83 83 LEU H H 1 8.0501 0.03 . 1 . . . . 82 LEU HN . 18291 1 371 . 1 1 83 83 LEU C C 13 178.1512 0.3 . 1 . . . . 82 LEU C . 18291 1 372 . 1 1 83 83 LEU CA C 13 58.1827 0.3 . 1 . . . . 82 LEU CA . 18291 1 373 . 1 1 83 83 LEU CB C 13 42.2759 0.3 . 1 . . . . 82 LEU CB . 18291 1 374 . 1 1 83 83 LEU N N 15 121.2804 0.5 . 1 . . . . 82 LEU N . 18291 1 375 . 1 1 84 84 PHE H H 1 8.0987 0.03 . 1 . . . . 83 PHE HN . 18291 1 376 . 1 1 84 84 PHE C C 13 178.4563 0.3 . 1 . . . . 83 PHE C . 18291 1 377 . 1 1 84 84 PHE CA C 13 60.3341 0.3 . 1 . . . . 83 PHE CA . 18291 1 378 . 1 1 84 84 PHE CB C 13 38.7166 0.3 . 1 . . . . 83 PHE CB . 18291 1 379 . 1 1 84 84 PHE N N 15 119.2781 0.5 . 1 . . . . 83 PHE N . 18291 1 380 . 1 1 85 85 LEU H H 1 7.9188 0.03 . 1 . . . . 84 LEU HN . 18291 1 381 . 1 1 85 85 LEU C C 13 175.5859 0.3 . 1 . . . . 84 LEU C . 18291 1 382 . 1 1 85 85 LEU CA C 13 58.6272 0.3 . 1 . . . . 84 LEU CA . 18291 1 383 . 1 1 85 85 LEU CB C 13 40.8996 0.3 . 1 . . . . 84 LEU CB . 18291 1 384 . 1 1 85 85 LEU N N 15 122.9934 0.5 . 1 . . . . 84 LEU N . 18291 1 385 . 1 1 86 86 TYR H H 1 7.8934 0.03 . 1 . . . . 85 TYR HN . 18291 1 386 . 1 1 86 86 TYR C C 13 178.6673 0.3 . 1 . . . . 85 TYR C . 18291 1 387 . 1 1 86 86 TYR CA C 13 64.7262 0.3 . 1 . . . . 85 TYR CA . 18291 1 388 . 1 1 86 86 TYR CB C 13 37.5565 0.3 . 1 . . . . 85 TYR CB . 18291 1 389 . 1 1 86 86 TYR N N 15 122.5872 0.5 . 1 . . . . 85 TYR N . 18291 1 390 . 1 1 87 87 GLN H H 1 8.7959 0.03 . 1 . . . . 86 GLN HN . 18291 1 391 . 1 1 87 87 GLN C C 13 178.6137 0.3 . 1 . . . . 86 GLN C . 18291 1 392 . 1 1 87 87 GLN CA C 13 60.3173 0.3 . 1 . . . . 86 GLN CA . 18291 1 393 . 1 1 87 87 GLN CB C 13 28.8118 0.3 . 1 . . . . 86 GLN CB . 18291 1 394 . 1 1 87 87 GLN N N 15 119.9188 0.5 . 1 . . . . 86 GLN N . 18291 1 395 . 1 1 88 88 GLY H H 1 7.6482 0.03 . 1 . . . . 87 GLY HN . 18291 1 396 . 1 1 88 88 GLY CA C 13 47.2116 0.3 . 1 . . . . 87 GLY CA . 18291 1 397 . 1 1 88 88 GLY N N 15 107.3400 0.5 . 1 . . . . 87 GLY N . 18291 1 398 . 1 1 89 89 LEU C C 13 178.0308 0.3 . 1 . . . . 88 LEU C . 18291 1 399 . 1 1 89 89 LEU CA C 13 57.9143 0.3 . 1 . . . . 88 LEU CA . 18291 1 400 . 1 1 89 89 LEU CB C 13 43.0643 0.3 . 1 . . . . 88 LEU CB . 18291 1 401 . 1 1 90 90 LEU H H 1 8.3961 0.03 . 1 . . . . 89 LEU HN . 18291 1 402 . 1 1 90 90 LEU C C 13 180.2585 0.3 . 1 . . . . 89 LEU C . 18291 1 403 . 1 1 90 90 LEU CA C 13 57.5937 0.3 . 1 . . . . 89 LEU CA . 18291 1 404 . 1 1 90 90 LEU CB C 13 41.6299 0.3 . 1 . . . . 89 LEU CB . 18291 1 405 . 1 1 90 90 LEU N N 15 115.4351 0.5 . 1 . . . . 89 LEU N . 18291 1 406 . 1 1 91 91 GLN H H 1 7.9072 0.03 . 1 . . . . 90 GLN HN . 18291 1 407 . 1 1 91 91 GLN C C 13 178.7328 0.3 . 1 . . . . 90 GLN C . 18291 1 408 . 1 1 91 91 GLN CA C 13 58.7807 0.3 . 1 . . . . 90 GLN CA . 18291 1 409 . 1 1 91 91 GLN CB C 13 28.2120 0.3 . 1 . . . . 90 GLN CB . 18291 1 410 . 1 1 91 91 GLN N N 15 119.6084 0.5 . 1 . . . . 90 GLN N . 18291 1 411 . 1 1 92 92 ALA H H 1 7.8200 0.03 . 1 . . . . 91 ALA HN . 18291 1 412 . 1 1 92 92 ALA C C 13 177.8478 0.3 . 1 . . . . 91 ALA C . 18291 1 413 . 1 1 92 92 ALA CA C 13 53.9809 0.3 . 1 . . . . 91 ALA CA . 18291 1 414 . 1 1 92 92 ALA CB C 13 17.6941 0.3 . 1 . . . . 91 ALA CB . 18291 1 415 . 1 1 92 92 ALA N N 15 121.6106 0.5 . 1 . . . . 91 ALA N . 18291 1 416 . 1 1 93 93 LEU H H 1 7.1599 0.03 . 1 . . . . 92 LEU HN . 18291 1 417 . 1 1 93 93 LEU C C 13 176.6488 0.3 . 1 . . . . 92 LEU C . 18291 1 418 . 1 1 93 93 LEU CA C 13 55.7137 0.3 . 1 . . . . 92 LEU CA . 18291 1 419 . 1 1 93 93 LEU CB C 13 41.1930 0.3 . 1 . . . . 92 LEU CB . 18291 1 420 . 1 1 93 93 LEU N N 15 115.7877 0.5 . 1 . . . . 92 LEU N . 18291 1 421 . 1 1 94 94 GLU H H 1 7.8707 0.03 . 1 . . . . 93 GLU HN . 18291 1 422 . 1 1 94 94 GLU C C 13 176.6483 0.3 . 1 . . . . 93 GLU C . 18291 1 423 . 1 1 94 94 GLU CA C 13 56.2966 0.3 . 1 . . . . 93 GLU CA . 18291 1 424 . 1 1 94 94 GLU CB C 13 26.3046 0.3 . 1 . . . . 93 GLU CB . 18291 1 425 . 1 1 94 94 GLU N N 15 115.1228 0.5 . 1 . . . . 93 GLU N . 18291 1 426 . 1 1 95 95 GLY H H 1 8.9635 0.03 . 1 . . . . 94 GLY HN . 18291 1 427 . 1 1 95 95 GLY C C 13 173.7378 0.3 . 1 . . . . 94 GLY C . 18291 1 428 . 1 1 95 95 GLY CA C 13 46.1926 0.3 . 1 . . . . 94 GLY CA . 18291 1 429 . 1 1 95 95 GLY N N 15 107.3066 0.5 . 1 . . . . 94 GLY N . 18291 1 430 . 1 1 96 96 ILE H H 1 7.5381 0.03 . 1 . . . . 95 ILE HN . 18291 1 431 . 1 1 96 96 ILE N N 15 110.3982 0.5 . 1 . . . . 95 ILE N . 18291 1 432 . 1 1 98 98 PRO C C 13 179.0361 0.3 . 1 . . . . 97 PRO C . 18291 1 433 . 1 1 98 98 PRO CA C 13 65.7242 0.3 . 1 . . . . 97 PRO CA . 18291 1 434 . 1 1 98 98 PRO CB C 13 31.7047 0.3 . 1 . . . . 97 PRO CB . 18291 1 435 . 1 1 99 99 GLU H H 1 8.8860 0.03 . 1 . . . . 98 GLU HN . 18291 1 436 . 1 1 99 99 GLU C C 13 177.3659 0.3 . 1 . . . . 98 GLU C . 18291 1 437 . 1 1 99 99 GLU CA C 13 58.7137 0.3 . 1 . . . . 98 GLU CA . 18291 1 438 . 1 1 99 99 GLU CB C 13 28.2188 0.3 . 1 . . . . 98 GLU CB . 18291 1 439 . 1 1 99 99 GLU N N 15 115.2638 0.5 . 1 . . . . 98 GLU N . 18291 1 440 . 1 1 100 100 LEU H H 1 7.7118 0.03 . 1 . . . . 99 LEU HN . 18291 1 441 . 1 1 100 100 LEU C C 13 176.9788 0.3 . 1 . . . . 99 LEU C . 18291 1 442 . 1 1 100 100 LEU CA C 13 54.1700 0.3 . 1 . . . . 99 LEU CA . 18291 1 443 . 1 1 100 100 LEU CB C 13 42.3869 0.3 . 1 . . . . 99 LEU CB . 18291 1 444 . 1 1 100 100 LEU N N 15 121.3819 0.5 . 1 . . . . 99 LEU N . 18291 1 445 . 1 1 101 101 GLY H H 1 7.8459 0.03 . 1 . . . . 100 GLY HN . 18291 1 446 . 1 1 101 101 GLY CA C 13 49.2331 0.3 . 1 . . . . 100 GLY CA . 18291 1 447 . 1 1 101 101 GLY N N 15 108.2216 0.5 . 1 . . . . 100 GLY N . 18291 1 448 . 1 1 102 102 PRO C C 13 179.1970 0.3 . 1 . . . . 101 PRO C . 18291 1 449 . 1 1 102 102 PRO CA C 13 65.7394 0.3 . 1 . . . . 101 PRO CA . 18291 1 450 . 1 1 102 102 PRO CB C 13 31.7311 0.3 . 1 . . . . 101 PRO CB . 18291 1 451 . 1 1 103 103 THR H H 1 7.5094 0.03 . 1 . . . . 102 THR HN . 18291 1 452 . 1 1 103 103 THR C C 13 177.0570 0.3 . 1 . . . . 102 THR C . 18291 1 453 . 1 1 103 103 THR CA C 13 66.7301 0.3 . 1 . . . . 102 THR CA . 18291 1 454 . 1 1 103 103 THR CB C 13 68.5118 0.3 . 1 . . . . 102 THR CB . 18291 1 455 . 1 1 103 103 THR N N 15 114.2607 0.5 . 1 . . . . 102 THR N . 18291 1 456 . 1 1 104 104 LEU H H 1 8.1901 0.03 . 1 . . . . 103 LEU HN . 18291 1 457 . 1 1 104 104 LEU C C 13 178.0178 0.3 . 1 . . . . 103 LEU C . 18291 1 458 . 1 1 104 104 LEU CA C 13 57.8220 0.3 . 1 . . . . 103 LEU CA . 18291 1 459 . 1 1 104 104 LEU CB C 13 41.0964 0.3 . 1 . . . . 103 LEU CB . 18291 1 460 . 1 1 104 104 LEU N N 15 124.8704 0.5 . 1 . . . . 103 LEU N . 18291 1 461 . 1 1 105 105 ASP H H 1 9.0164 0.03 . 1 . . . . 104 ASP HN . 18291 1 462 . 1 1 105 105 ASP C C 13 178.0744 0.3 . 1 . . . . 104 ASP C . 18291 1 463 . 1 1 105 105 ASP CA C 13 56.8904 0.3 . 1 . . . . 104 ASP CA . 18291 1 464 . 1 1 105 105 ASP CB C 13 38.6590 0.3 . 1 . . . . 104 ASP CB . 18291 1 465 . 1 1 105 105 ASP N N 15 120.3645 0.5 . 1 . . . . 104 ASP N . 18291 1 466 . 1 1 106 106 THR H H 1 7.8474 0.03 . 1 . . . . 105 THR HN . 18291 1 467 . 1 1 106 106 THR C C 13 174.6756 0.3 . 1 . . . . 105 THR C . 18291 1 468 . 1 1 106 106 THR CA C 13 66.9577 0.3 . 1 . . . . 105 THR CA . 18291 1 469 . 1 1 106 106 THR CB C 13 69.2506 0.3 . 1 . . . . 105 THR CB . 18291 1 470 . 1 1 106 106 THR N N 15 116.9552 0.5 . 1 . . . . 105 THR N . 18291 1 471 . 1 1 107 107 LEU H H 1 7.1159 0.03 . 1 . . . . 106 LEU HN . 18291 1 472 . 1 1 107 107 LEU C C 13 177.6277 0.3 . 1 . . . . 106 LEU C . 18291 1 473 . 1 1 107 107 LEU CA C 13 57.8762 0.3 . 1 . . . . 106 LEU CA . 18291 1 474 . 1 1 107 107 LEU CB C 13 42.1529 0.3 . 1 . . . . 106 LEU CB . 18291 1 475 . 1 1 107 107 LEU N N 15 120.3268 0.5 . 1 . . . . 106 LEU N . 18291 1 476 . 1 1 108 108 GLN H H 1 8.6577 0.03 . 1 . . . . 107 GLN HN . 18291 1 477 . 1 1 108 108 GLN C C 13 178.3587 0.3 . 1 . . . . 107 GLN C . 18291 1 478 . 1 1 108 108 GLN CA C 13 60.4801 0.3 . 1 . . . . 107 GLN CA . 18291 1 479 . 1 1 108 108 GLN CB C 13 29.4111 0.3 . 1 . . . . 107 GLN CB . 18291 1 480 . 1 1 108 108 GLN N N 15 116.7932 0.5 . 1 . . . . 107 GLN N . 18291 1 481 . 1 1 109 109 LEU H H 1 8.1585 0.03 . 1 . . . . 108 LEU HN . 18291 1 482 . 1 1 109 109 LEU C C 13 179.2421 0.3 . 1 . . . . 108 LEU C . 18291 1 483 . 1 1 109 109 LEU CA C 13 58.1237 0.3 . 1 . . . . 108 LEU CA . 18291 1 484 . 1 1 109 109 LEU CB C 13 41.5761 0.3 . 1 . . . . 108 LEU CB . 18291 1 485 . 1 1 109 109 LEU N N 15 121.2288 0.5 . 1 . . . . 108 LEU N . 18291 1 486 . 1 1 110 110 ASP H H 1 8.3004 0.03 . 1 . . . . 109 ASP HN . 18291 1 487 . 1 1 110 110 ASP C C 13 180.0647 0.3 . 1 . . . . 109 ASP C . 18291 1 488 . 1 1 110 110 ASP CA C 13 56.9542 0.3 . 1 . . . . 109 ASP CA . 18291 1 489 . 1 1 110 110 ASP CB C 13 38.7827 0.3 . 1 . . . . 109 ASP CB . 18291 1 490 . 1 1 110 110 ASP N N 15 119.4775 0.5 . 1 . . . . 109 ASP N . 18291 1 491 . 1 1 111 111 VAL H H 1 8.5572 0.03 . 1 . . . . 110 VAL HN . 18291 1 492 . 1 1 111 111 VAL CA C 13 67.6866 0.3 . 1 . . . . 110 VAL CA . 18291 1 493 . 1 1 111 111 VAL CB C 13 31.6883 0.3 . 1 . . . . 110 VAL CB . 18291 1 494 . 1 1 111 111 VAL N N 15 122.7318 0.5 . 1 . . . . 110 VAL N . 18291 1 495 . 1 1 112 112 ALA C C 13 180.7430 0.3 . 1 . . . . 111 ALA C . 18291 1 496 . 1 1 112 112 ALA CB C 13 18.20201 0.3 . 1 . . . . 111 ALA CB . 18291 1 497 . 1 1 113 113 ASP H H 1 8.6078 0.03 . 1 . . . . 112 ASP HN . 18291 1 498 . 1 1 113 113 ASP C C 13 178.5038 0.3 . 1 . . . . 112 ASP C . 18291 1 499 . 1 1 113 113 ASP CA C 13 56.7334 0.3 . 1 . . . . 112 ASP CA . 18291 1 500 . 1 1 113 113 ASP CB C 13 39.3833 0.3 . 1 . . . . 112 ASP CB . 18291 1 501 . 1 1 113 113 ASP N N 15 117.7855 0.5 . 1 . . . . 112 ASP N . 18291 1 502 . 1 1 114 114 PHE H H 1 7.8868 0.03 . 1 . . . . 113 PHE HN . 18291 1 503 . 1 1 114 114 PHE C C 13 177.1881 0.3 . 1 . . . . 113 PHE C . 18291 1 504 . 1 1 114 114 PHE CA C 13 56.9419 0.3 . 1 . . . . 113 PHE CA . 18291 1 505 . 1 1 114 114 PHE CB C 13 39.5622 0.3 . 1 . . . . 113 PHE CB . 18291 1 506 . 1 1 114 114 PHE N N 15 122.0087 0.5 . 1 . . . . 113 PHE N . 18291 1 507 . 1 1 115 115 ALA H H 1 8.8016 0.03 . 1 . . . . 114 ALA HN . 18291 1 508 . 1 1 115 115 ALA C C 13 180.2548 0.3 . 1 . . . . 114 ALA C . 18291 1 509 . 1 1 115 115 ALA CA C 13 56.3677 0.3 . 1 . . . . 114 ALA CA . 18291 1 510 . 1 1 115 115 ALA CB C 13 17.1193 0.3 . 1 . . . . 114 ALA CB . 18291 1 511 . 1 1 115 115 ALA N N 15 121.3771 0.5 . 1 . . . . 114 ALA N . 18291 1 512 . 1 1 116 116 THR H H 1 8.6803 0.03 . 1 . . . . 115 THR HN . 18291 1 513 . 1 1 116 116 THR C C 13 175.9130 0.3 . 1 . . . . 115 THR C . 18291 1 514 . 1 1 116 116 THR CA C 13 66.9618 0.3 . 1 . . . . 115 THR CA . 18291 1 515 . 1 1 116 116 THR CB C 13 68.7116 0.3 . 1 . . . . 115 THR CB . 18291 1 516 . 1 1 116 116 THR N N 15 116.4238 0.5 . 1 . . . . 115 THR N . 18291 1 517 . 1 1 117 117 THR H H 1 8.3910 0.03 . 1 . . . . 116 THR HN . 18291 1 518 . 1 1 117 117 THR C C 13 177.6657 0.3 . 1 . . . . 116 THR C . 18291 1 519 . 1 1 117 117 THR CA C 13 67.3719 0.3 . 1 . . . . 116 THR CA . 18291 1 520 . 1 1 117 117 THR CB C 13 68.7591 0.3 . 1 . . . . 116 THR CB . 18291 1 521 . 1 1 117 117 THR N N 15 121.3343 0.5 . 1 . . . . 116 THR N . 18291 1 522 . 1 1 118 118 ILE H H 1 8.1933 0.03 . 1 . . . . 117 ILE HN . 18291 1 523 . 1 1 118 118 ILE CA C 13 65.1530 0.3 . 1 . . . . 117 ILE CA . 18291 1 524 . 1 1 118 118 ILE CB C 13 37.5152 0.3 . 1 . . . . 117 ILE CB . 18291 1 525 . 1 1 118 118 ILE N N 15 120.4312 0.5 . 1 . . . . 117 ILE N . 18291 1 526 . 1 1 119 119 TRP C C 13 177.6366 0.3 . 1 . . . . 118 TRP C . 18291 1 527 . 1 1 119 119 TRP CA C 13 60.6175 0.3 . 1 . . . . 118 TRP CA . 18291 1 528 . 1 1 119 119 TRP CB C 13 29.7757 0.3 . 1 . . . . 118 TRP CB . 18291 1 529 . 1 1 120 120 GLN H H 1 8.8999 0.03 . 1 . . . . 119 GLN HN . 18291 1 530 . 1 1 120 120 GLN C C 13 178.7386 0.3 . 1 . . . . 119 GLN C . 18291 1 531 . 1 1 120 120 GLN CA C 13 58.7306 0.3 . 1 . . . . 119 GLN CA . 18291 1 532 . 1 1 120 120 GLN CB C 13 27.9578 0.3 . 1 . . . . 119 GLN CB . 18291 1 533 . 1 1 120 120 GLN N N 15 115.9023 0.5 . 1 . . . . 119 GLN N . 18291 1 534 . 1 1 121 121 GLN H H 1 7.4209 0.03 . 1 . . . . 120 GLN HN . 18291 1 535 . 1 1 121 121 GLN C C 13 178.3926 0.3 . 1 . . . . 120 GLN C . 18291 1 536 . 1 1 121 121 GLN CA C 13 57.6595 0.3 . 1 . . . . 120 GLN CA . 18291 1 537 . 1 1 121 121 GLN CB C 13 29.8150 0.3 . 1 . . . . 120 GLN CB . 18291 1 538 . 1 1 121 121 GLN N N 15 119.4657 0.5 . 1 . . . . 120 GLN N . 18291 1 539 . 1 1 122 122 MET H H 1 8.2052 0.03 . 1 . . . . 121 MET HN . 18291 1 540 . 1 1 122 122 MET C C 13 178.4278 0.3 . 1 . . . . 121 MET C . 18291 1 541 . 1 1 122 122 MET CA C 13 60.0347 0.3 . 1 . . . . 121 MET CA . 18291 1 542 . 1 1 122 122 MET CB C 13 32.8811 0.3 . 1 . . . . 121 MET CB . 18291 1 543 . 1 1 122 122 MET N N 15 118.3959 0.5 . 1 . . . . 121 MET N . 18291 1 544 . 1 1 123 123 GLU H H 1 8.1816 0.03 . 1 . . . . 122 GLU HN . 18291 1 545 . 1 1 123 123 GLU C C 13 180.1041 0.3 . 1 . . . . 122 GLU C . 18291 1 546 . 1 1 123 123 GLU CA C 13 58.6240 0.3 . 1 . . . . 122 GLU CA . 18291 1 547 . 1 1 123 123 GLU CB C 13 27.6917 0.3 . 1 . . . . 122 GLU CB . 18291 1 548 . 1 1 123 123 GLU N N 15 118.4604 0.5 . 1 . . . . 122 GLU N . 18291 1 549 . 1 1 124 124 GLU H H 1 7.8041 0.03 . 1 . . . . 123 GLU HN . 18291 1 550 . 1 1 124 124 GLU C C 13 177.7343 0.3 . 1 . . . . 123 GLU C . 18291 1 551 . 1 1 124 124 GLU CA C 13 58.6852 0.3 . 1 . . . . 123 GLU CA . 18291 1 552 . 1 1 124 124 GLU CB C 13 28.0548 0.3 . 1 . . . . 123 GLU CB . 18291 1 553 . 1 1 124 124 GLU N N 15 120.6085 0.5 . 1 . . . . 123 GLU N . 18291 1 554 . 1 1 125 125 LEU H H 1 7.3333 0.03 . 1 . . . . 124 LEU HN . 18291 1 555 . 1 1 125 125 LEU C C 13 176.9585 0.3 . 1 . . . . 124 LEU C . 18291 1 556 . 1 1 125 125 LEU CA C 13 54.5536 0.3 . 1 . . . . 124 LEU CA . 18291 1 557 . 1 1 125 125 LEU CB C 13 42.3760 0.3 . 1 . . . . 124 LEU CB . 18291 1 558 . 1 1 125 125 LEU N N 15 116.1600 0.5 . 1 . . . . 124 LEU N . 18291 1 559 . 1 1 126 126 GLY H H 1 7.6616 0.03 . 1 . . . . 125 GLY HN . 18291 1 560 . 1 1 126 126 GLY C C 13 175.1454 0.3 . 1 . . . . 125 GLY C . 18291 1 561 . 1 1 126 126 GLY CA C 13 46.3404 0.3 . 1 . . . . 125 GLY CA . 18291 1 562 . 1 1 126 126 GLY N N 15 108.2036 0.5 . 1 . . . . 125 GLY N . 18291 1 563 . 1 1 127 127 MET H H 1 7.9137 0.03 . 1 . . . . 126 MET HN . 18291 1 564 . 1 1 127 127 MET C C 13 174.2355 0.3 . 1 . . . . 126 MET C . 18291 1 565 . 1 1 127 127 MET CA C 13 55.1008 0.3 . 1 . . . . 126 MET CA . 18291 1 566 . 1 1 127 127 MET CB C 13 33.5938 0.3 . 1 . . . . 126 MET CB . 18291 1 567 . 1 1 127 127 MET N N 15 116.1403 0.5 . 1 . . . . 126 MET N . 18291 1 568 . 1 1 128 128 ALA H H 1 7.6485 0.03 . 1 . . . . 127 ALA HN . 18291 1 569 . 1 1 128 128 ALA CA C 13 49.9472 0.3 . 1 . . . . 127 ALA CA . 18291 1 570 . 1 1 128 128 ALA CB C 13 17.6608 0.3 . 1 . . . . 127 ALA CB . 18291 1 571 . 1 1 128 128 ALA N N 15 123.4382 0.5 . 1 . . . . 127 ALA N . 18291 1 572 . 1 1 129 129 PRO C C 13 175.5688 0.3 . 1 . . . . 128 PRO C . 18291 1 573 . 1 1 129 129 PRO CA C 13 62.1874 0.3 . 1 . . . . 128 PRO CA . 18291 1 574 . 1 1 129 129 PRO CB C 13 31.8484 0.3 . 1 . . . . 128 PRO CB . 18291 1 575 . 1 1 130 130 ALA H H 1 8.2144 0.03 . 1 . . . . 129 ALA HN . 18291 1 576 . 1 1 130 130 ALA C C 13 177.6817 0.3 . 1 . . . . 129 ALA C . 18291 1 577 . 1 1 130 130 ALA CA C 13 52.8546 0.3 . 1 . . . . 129 ALA CA . 18291 1 578 . 1 1 130 130 ALA CB C 13 18.9270 0.3 . 1 . . . . 129 ALA CB . 18291 1 579 . 1 1 130 130 ALA N N 15 122.2993 0.5 . 1 . . . . 129 ALA N . 18291 1 580 . 1 1 131 131 LEU H H 1 7.8836 0.03 . 1 . . . . 130 LEU HN . 18291 1 581 . 1 1 131 131 LEU C C 13 177.0660 0.3 . 1 . . . . 130 LEU C . 18291 1 582 . 1 1 131 131 LEU CA C 13 55.1109 0.3 . 1 . . . . 130 LEU CA . 18291 1 583 . 1 1 131 131 LEU CB C 13 41.8988 0.3 . 1 . . . . 130 LEU CB . 18291 1 584 . 1 1 131 131 LEU N N 15 119.6615 0.5 . 1 . . . . 130 LEU N . 18291 1 585 . 1 1 132 132 GLN H H 1 8.0923 0.03 . 1 . . . . 131 GLN HN . 18291 1 586 . 1 1 132 132 GLN CA C 13 56.2847 0.3 . 1 . . . . 131 GLN CA . 18291 1 587 . 1 1 132 132 GLN CB C 13 32.9410 0.3 . 1 . . . . 131 GLN CB . 18291 1 588 . 1 1 132 132 GLN N N 15 122.3084 0.5 . 1 . . . . 131 GLN N . 18291 1 589 . 1 1 133 133 PRO C C 13 176.1899 0.3 . 1 . . . . 132 PRO C . 18291 1 590 . 1 1 133 133 PRO CA C 13 62.7167 0.3 . 1 . . . . 132 PRO CA . 18291 1 591 . 1 1 133 133 PRO CB C 13 31.8000 0.3 . 1 . . . . 132 PRO CB . 18291 1 592 . 1 1 134 134 THR H H 1 8.1751 0.03 . 1 . . . . 133 THR HN . 18291 1 593 . 1 1 134 134 THR C C 13 174.3541 0.3 . 1 . . . . 133 THR C . 18291 1 594 . 1 1 134 134 THR CA C 13 61.5694 0.3 . 1 . . . . 133 THR CA . 18291 1 595 . 1 1 134 134 THR CB C 13 70.0148 0.3 . 1 . . . . 133 THR CB . 18291 1 596 . 1 1 134 134 THR N N 15 114.9828 0.5 . 1 . . . . 133 THR N . 18291 1 597 . 1 1 135 135 GLN H H 1 8.6659 0.03 . 1 . . . . 134 GLN HN . 18291 1 598 . 1 1 135 135 GLN C C 13 176.2329 0.3 . 1 . . . . 134 GLN C . 18291 1 599 . 1 1 135 135 GLN CA C 13 55.8058 0.3 . 1 . . . . 134 GLN CA . 18291 1 600 . 1 1 135 135 GLN CB C 13 29.8850 0.3 . 1 . . . . 134 GLN CB . 18291 1 601 . 1 1 135 135 GLN N N 15 124.4357 0.5 . 1 . . . . 134 GLN N . 18291 1 602 . 1 1 136 136 GLY H H 1 8.2938 0.03 . 1 . . . . 135 GLY HN . 18291 1 603 . 1 1 136 136 GLY C C 13 172.5202 0.3 . 1 . . . . 135 GLY C . 18291 1 604 . 1 1 136 136 GLY CA C 13 44.1979 0.3 . 1 . . . . 135 GLY CA . 18291 1 605 . 1 1 136 136 GLY N N 15 111.4667 0.5 . 1 . . . . 135 GLY N . 18291 1 606 . 1 1 137 137 ALA H H 1 8.0827 0.03 . 1 . . . . 136 ALA HN . 18291 1 607 . 1 1 137 137 ALA C C 13 177.6322 0.3 . 1 . . . . 136 ALA C . 18291 1 608 . 1 1 137 137 ALA CA C 13 52.3117 0.3 . 1 . . . . 136 ALA CA . 18291 1 609 . 1 1 137 137 ALA CB C 13 18.8088 0.3 . 1 . . . . 136 ALA CB . 18291 1 610 . 1 1 137 137 ALA N N 15 122.6720 0.5 . 1 . . . . 136 ALA N . 18291 1 611 . 1 1 138 138 MET H H 1 8.3330 0.03 . 1 . . . . 137 MET HN . 18291 1 612 . 1 1 138 138 MET CA C 13 52.1815 0.3 . 1 . . . . 137 MET CA . 18291 1 613 . 1 1 138 138 MET CB C 13 34.1686 0.3 . 1 . . . . 137 MET CB . 18291 1 614 . 1 1 138 138 MET N N 15 121.8370 0.5 . 1 . . . . 137 MET N . 18291 1 615 . 1 1 139 139 PRO C C 13 173.9630 0.3 . 1 . . . . 138 PRO C . 18291 1 616 . 1 1 139 139 PRO CA C 13 62.0001 0.3 . 1 . . . . 138 PRO CA . 18291 1 617 . 1 1 139 139 PRO CB C 13 31.1299 0.3 . 1 . . . . 138 PRO CB . 18291 1 618 . 1 1 140 140 ALA H H 1 7.8797 0.03 . 1 . . . . 139 ALA HN . 18291 1 619 . 1 1 140 140 ALA C C 13 176.5380 0.3 . 1 . . . . 139 ALA C . 18291 1 620 . 1 1 140 140 ALA CA C 13 50.6089 0.3 . 1 . . . . 139 ALA CA . 18291 1 621 . 1 1 140 140 ALA CB C 13 19.3350 0.3 . 1 . . . . 139 ALA CB . 18291 1 622 . 1 1 140 140 ALA N N 15 122.2061 0.5 . 1 . . . . 139 ALA N . 18291 1 623 . 1 1 141 141 PHE H H 1 8.3872 0.03 . 1 . . . . 140 PHE HN . 18291 1 624 . 1 1 141 141 PHE C C 13 175.2466 0.3 . 1 . . . . 140 PHE C . 18291 1 625 . 1 1 141 141 PHE CA C 13 56.4266 0.3 . 1 . . . . 140 PHE CA . 18291 1 626 . 1 1 141 141 PHE CB C 13 38.9281 0.3 . 1 . . . . 140 PHE CB . 18291 1 627 . 1 1 141 141 PHE N N 15 120.6440 0.5 . 1 . . . . 140 PHE N . 18291 1 628 . 1 1 142 142 ALA H H 1 8.1211 0.03 . 1 . . . . 141 ALA HN . 18291 1 629 . 1 1 142 142 ALA C C 13 177.3270 0.3 . 1 . . . . 141 ALA C . 18291 1 630 . 1 1 142 142 ALA CA C 13 54.0513 0.3 . 1 . . . . 141 ALA CA . 18291 1 631 . 1 1 142 142 ALA CB C 13 19.9786 0.3 . 1 . . . . 141 ALA CB . 18291 1 632 . 1 1 142 142 ALA N N 15 124.8539 0.5 . 1 . . . . 141 ALA N . 18291 1 633 . 1 1 143 143 SER H H 1 7.8265 0.03 . 1 . . . . 142 SER HN . 18291 1 634 . 1 1 143 143 SER C C 13 174.1754 0.3 . 1 . . . . 142 SER C . 18291 1 635 . 1 1 143 143 SER CA C 13 55.8579 0.3 . 1 . . . . 142 SER CA . 18291 1 636 . 1 1 143 143 SER CB C 13 66.7736 0.3 . 1 . . . . 142 SER CB . 18291 1 637 . 1 1 143 143 SER N N 15 111.7120 0.5 . 1 . . . . 142 SER N . 18291 1 638 . 1 1 144 144 ALA H H 1 8.9785 0.03 . 1 . . . . 143 ALA HN . 18291 1 639 . 1 1 144 144 ALA C C 13 179.8316 0.3 . 1 . . . . 143 ALA C . 18291 1 640 . 1 1 144 144 ALA CA C 13 55.7607 0.3 . 1 . . . . 143 ALA CA . 18291 1 641 . 1 1 144 144 ALA CB C 13 17.5390 0.3 . 1 . . . . 143 ALA CB . 18291 1 642 . 1 1 144 144 ALA N N 15 124.4909 0.5 . 1 . . . . 143 ALA N . 18291 1 643 . 1 1 145 145 PHE H H 1 8.6778 0.03 . 1 . . . . 144 PHE HN . 18291 1 644 . 1 1 145 145 PHE C C 13 176.8513 0.3 . 1 . . . . 144 PHE C . 18291 1 645 . 1 1 145 145 PHE CA C 13 61.7588 0.3 . 1 . . . . 144 PHE CA . 18291 1 646 . 1 1 145 145 PHE CB C 13 39.0023 0.3 . 1 . . . . 144 PHE CB . 18291 1 647 . 1 1 145 145 PHE N N 15 117.0934 0.5 . 1 . . . . 144 PHE N . 18291 1 648 . 1 1 146 146 GLN H H 1 7.8564 0.03 . 1 . . . . 145 GLN HN . 18291 1 649 . 1 1 146 146 GLN C C 13 178.4927 0.3 . 1 . . . . 145 GLN C . 18291 1 650 . 1 1 146 146 GLN CA C 13 59.8631 0.3 . 1 . . . . 145 GLN CA . 18291 1 651 . 1 1 146 146 GLN CB C 13 28.2385 0.3 . 1 . . . . 145 GLN CB . 18291 1 652 . 1 1 146 146 GLN N N 15 115.9402 0.5 . 1 . . . . 145 GLN N . 18291 1 653 . 1 1 147 147 ARG H H 1 7.9261 0.03 . 1 . . . . 146 ARG HN . 18291 1 654 . 1 1 147 147 ARG C C 13 177.2842 0.3 . 1 . . . . 146 ARG C . 18291 1 655 . 1 1 147 147 ARG CA C 13 59.9181 0.3 . 1 . . . . 146 ARG CA . 18291 1 656 . 1 1 147 147 ARG CB C 13 30.8004 0.3 . 1 . . . . 146 ARG CB . 18291 1 657 . 1 1 147 147 ARG N N 15 117.3557 0.5 . 1 . . . . 146 ARG N . 18291 1 658 . 1 1 148 148 ARG H H 1 7.8174 0.03 . 1 . . . . 147 ARG HN . 18291 1 659 . 1 1 148 148 ARG C C 13 176.8841 0.3 . 1 . . . . 147 ARG C . 18291 1 660 . 1 1 148 148 ARG CA C 13 59.7729 0.3 . 1 . . . . 147 ARG CA . 18291 1 661 . 1 1 148 148 ARG CB C 13 30.02944 0.3 . 1 . . . . 147 ARG CB . 18291 1 662 . 1 1 148 148 ARG N N 15 118.0803 0.5 . 1 . . . . 147 ARG N . 18291 1 663 . 1 1 149 149 ALA H H 1 8.2673 0.03 . 1 . . . . 148 ALA HN . 18291 1 664 . 1 1 149 149 ALA C C 13 180.0082 0.3 . 1 . . . . 148 ALA C . 18291 1 665 . 1 1 149 149 ALA CA C 13 54.5741 0.3 . 1 . . . . 148 ALA CA . 18291 1 666 . 1 1 149 149 ALA CB C 13 18.6211 0.3 . 1 . . . . 148 ALA CB . 18291 1 667 . 1 1 149 149 ALA N N 15 120.0052 0.5 . 1 . . . . 148 ALA N . 18291 1 668 . 1 1 150 150 GLY H H 1 8.2013 0.03 . 1 . . . . 149 GLY HN . 18291 1 669 . 1 1 150 150 GLY C C 13 175.1766 0.3 . 1 . . . . 149 GLY C . 18291 1 670 . 1 1 150 150 GLY CA C 13 47.0475 0.3 . 1 . . . . 149 GLY CA . 18291 1 671 . 1 1 150 150 GLY N N 15 106.4090 0.5 . 1 . . . . 149 GLY N . 18291 1 672 . 1 1 151 151 GLY H H 1 7.8529 0.03 . 1 . . . . 150 GLY HN . 18291 1 673 . 1 1 151 151 GLY C C 13 173.8848 0.3 . 1 . . . . 150 GLY C . 18291 1 674 . 1 1 151 151 GLY CA C 13 48.0440 0.3 . 1 . . . . 150 GLY CA . 18291 1 675 . 1 1 151 151 GLY N N 15 108.9180 0.5 . 1 . . . . 150 GLY N . 18291 1 676 . 1 1 152 152 VAL H H 1 7.2933 0.03 . 1 . . . . 151 VAL HN . 18291 1 677 . 1 1 152 152 VAL C C 13 179.0264 0.3 . 1 . . . . 151 VAL C . 18291 1 678 . 1 1 152 152 VAL CA C 13 66.4786 0.3 . 1 . . . . 151 VAL CA . 18291 1 679 . 1 1 152 152 VAL CB C 13 31.2118 0.3 . 1 . . . . 151 VAL CB . 18291 1 680 . 1 1 152 152 VAL N N 15 120.9947 0.5 . 1 . . . . 151 VAL N . 18291 1 681 . 1 1 153 153 LEU H H 1 8.0792 0.03 . 1 . . . . 152 LEU HN . 18291 1 682 . 1 1 153 153 LEU C C 13 179.1638 0.3 . 1 . . . . 152 LEU C . 18291 1 683 . 1 1 153 153 LEU CA C 13 58.1568 0.3 . 1 . . . . 152 LEU CA . 18291 1 684 . 1 1 153 153 LEU CB C 13 43.3432 0.3 . 1 . . . . 152 LEU CB . 18291 1 685 . 1 1 153 153 LEU N N 15 119.9374 0.5 . 1 . . . . 152 LEU N . 18291 1 686 . 1 1 154 154 VAL H H 1 9.3678 0.03 . 1 . . . . 153 VAL HN . 18291 1 687 . 1 1 154 154 VAL C C 13 177.3071 0.3 . 1 . . . . 153 VAL C . 18291 1 688 . 1 1 154 154 VAL CA C 13 67.4645 0.3 . 1 . . . . 153 VAL CA . 18291 1 689 . 1 1 154 154 VAL CB C 13 31.8297 0.3 . 1 . . . . 153 VAL CB . 18291 1 690 . 1 1 154 154 VAL N N 15 119.7754 0.5 . 1 . . . . 153 VAL N . 18291 1 691 . 1 1 155 155 ALA H H 1 8.2060 0.03 . 1 . . . . 154 ALA HN . 18291 1 692 . 1 1 155 155 ALA C C 13 179.1685 0.3 . 1 . . . . 154 ALA C . 18291 1 693 . 1 1 155 155 ALA CA C 13 55.8794 0.3 . 1 . . . . 154 ALA CA . 18291 1 694 . 1 1 155 155 ALA CB C 13 17.3151 0.3 . 1 . . . . 154 ALA CB . 18291 1 695 . 1 1 155 155 ALA N N 15 119.5471 0.5 . 1 . . . . 154 ALA N . 18291 1 696 . 1 1 156 156 SER H H 1 8.0167 0.03 . 1 . . . . 155 SER HN . 18291 1 697 . 1 1 156 156 SER C C 13 177.3338 0.3 . 1 . . . . 155 SER C . 18291 1 698 . 1 1 156 156 SER CA C 13 61.5793 0.3 . 1 . . . . 155 SER CA . 18291 1 699 . 1 1 156 156 SER CB C 13 62.7808 0.3 . 1 . . . . 155 SER CB . 18291 1 700 . 1 1 156 156 SER N N 15 112.2346 0.5 . 1 . . . . 155 SER N . 18291 1 701 . 1 1 157 157 HIS H H 1 7.9890 0.03 . 1 . . . . 156 HIS HN . 18291 1 702 . 1 1 157 157 HIS C C 13 177.0629 0.3 . 1 . . . . 156 HIS C . 18291 1 703 . 1 1 157 157 HIS CA C 13 59.1886 0.3 . 1 . . . . 156 HIS CA . 18291 1 704 . 1 1 157 157 HIS CB C 13 27.7415 0.3 . 1 . . . . 156 HIS CB . 18291 1 705 . 1 1 157 157 HIS N N 15 122.6870 0.5 . 1 . . . . 156 HIS N . 18291 1 706 . 1 1 158 158 LEU H H 1 8.6366 0.03 . 1 . . . . 157 LEU HN . 18291 1 707 . 1 1 158 158 LEU C C 13 177.9998 0.3 . 1 . . . . 157 LEU C . 18291 1 708 . 1 1 158 158 LEU CA C 13 57.7504 0.3 . 1 . . . . 157 LEU CA . 18291 1 709 . 1 1 158 158 LEU CB C 13 41.0266 0.3 . 1 . . . . 157 LEU CB . 18291 1 710 . 1 1 158 158 LEU N N 15 122.4423 0.5 . 1 . . . . 157 LEU N . 18291 1 711 . 1 1 159 159 GLN H H 1 8.1522 0.03 . 1 . . . . 158 GLN HN . 18291 1 712 . 1 1 159 159 GLN C C 13 179.5224 0.3 . 1 . . . . 158 GLN C . 18291 1 713 . 1 1 159 159 GLN CA C 13 59.3029 0.3 . 1 . . . . 158 GLN CA . 18291 1 714 . 1 1 159 159 GLN CB C 13 27.6786 0.3 . 1 . . . . 158 GLN CB . 18291 1 715 . 1 1 159 159 GLN N N 15 117.6119 0.5 . 1 . . . . 158 GLN N . 18291 1 716 . 1 1 160 160 SER H H 1 7.6070 0.03 . 1 . . . . 159 SER HN . 18291 1 717 . 1 1 160 160 SER C C 13 176.2636 0.3 . 1 . . . . 159 SER C . 18291 1 718 . 1 1 160 160 SER CA C 13 62.2573 0.3 . 1 . . . . 159 SER CA . 18291 1 719 . 1 1 160 160 SER CB C 13 62.3802 0.3 . 1 . . . . 159 SER CB . 18291 1 720 . 1 1 160 160 SER N N 15 115.7009 0.5 . 1 . . . . 159 SER N . 18291 1 721 . 1 1 161 161 PHE H H 1 8.3323 0.03 . 1 . . . . 160 PHE HN . 18291 1 722 . 1 1 161 161 PHE C C 13 178.9272 0.3 . 1 . . . . 160 PHE C . 18291 1 723 . 1 1 161 161 PHE CA C 13 61.2305 0.3 . 1 . . . . 160 PHE CA . 18291 1 724 . 1 1 161 161 PHE CB C 13 39.3470 0.3 . 1 . . . . 160 PHE CB . 18291 1 725 . 1 1 161 161 PHE N N 15 124.6650 0.5 . 1 . . . . 160 PHE N . 18291 1 726 . 1 1 162 162 LEU H H 1 9.0350 0.03 . 1 . . . . 161 LEU HN . 18291 1 727 . 1 1 162 162 LEU C C 13 178.4106 0.3 . 1 . . . . 161 LEU C . 18291 1 728 . 1 1 162 162 LEU CA C 13 56.9078 0.3 . 1 . . . . 161 LEU CA . 18291 1 729 . 1 1 162 162 LEU CB C 13 41.2442 0.3 . 1 . . . . 161 LEU CB . 18291 1 730 . 1 1 162 162 LEU N N 15 120.1785 0.5 . 1 . . . . 161 LEU N . 18291 1 731 . 1 1 163 163 GLU H H 1 8.0614 0.03 . 1 . . . . 162 GLU HN . 18291 1 732 . 1 1 163 163 GLU C C 13 179.3433 0.3 . 1 . . . . 162 GLU C . 18291 1 733 . 1 1 163 163 GLU CA C 13 59.4326 0.3 . 1 . . . . 162 GLU CA . 18291 1 734 . 1 1 163 163 GLU CB C 13 28.3782 0.3 . 1 . . . . 162 GLU CB . 18291 1 735 . 1 1 163 163 GLU N N 15 121.3112 0.5 . 1 . . . . 162 GLU N . 18291 1 736 . 1 1 164 164 VAL H H 1 7.5233 0.03 . 1 . . . . 163 VAL HN . 18291 1 737 . 1 1 164 164 VAL C C 13 178.3691 0.3 . 1 . . . . 163 VAL C . 18291 1 738 . 1 1 164 164 VAL CA C 13 66.4939 0.3 . 1 . . . . 163 VAL CA . 18291 1 739 . 1 1 164 164 VAL CB C 13 31.0607 0.3 . 1 . . . . 163 VAL CB . 18291 1 740 . 1 1 164 164 VAL N N 15 119.4552 0.5 . 1 . . . . 163 VAL N . 18291 1 741 . 1 1 165 165 SER H H 1 8.0784 0.03 . 1 . . . . 164 SER HN . 18291 1 742 . 1 1 165 165 SER C C 13 174.8727 0.3 . 1 . . . . 164 SER C . 18291 1 743 . 1 1 165 165 SER N N 15 115.8432 0.5 . 1 . . . . 164 SER N . 18291 1 744 . 1 1 166 166 TYR H H 1 8.7221 0.03 . 1 . . . . 165 TYR HN . 18291 1 745 . 1 1 166 166 TYR C C 13 176.1758 0.3 . 1 . . . . 165 TYR C . 18291 1 746 . 1 1 166 166 TYR CA C 13 62.2260 0.3 . 1 . . . . 165 TYR CA . 18291 1 747 . 1 1 166 166 TYR CB C 13 38.2344 0.3 . 1 . . . . 165 TYR CB . 18291 1 748 . 1 1 166 166 TYR N N 15 121.8576 0.5 . 1 . . . . 165 TYR N . 18291 1 749 . 1 1 167 167 ARG H H 1 7.4473 0.03 . 1 . . . . 166 ARG HN . 18291 1 750 . 1 1 167 167 ARG C C 13 179.7595 0.3 . 1 . . . . 166 ARG C . 18291 1 751 . 1 1 167 167 ARG CA C 13 59.9150 0.3 . 1 . . . . 166 ARG CA . 18291 1 752 . 1 1 167 167 ARG CB C 13 29.9272 0.3 . 1 . . . . 166 ARG CB . 18291 1 753 . 1 1 167 167 ARG N N 15 117.1318 0.5 . 1 . . . . 166 ARG N . 18291 1 754 . 1 1 168 168 VAL H H 1 8.1680 0.03 . 1 . . . . 167 VAL HN . 18291 1 755 . 1 1 168 168 VAL C C 13 178.3388 0.3 . 1 . . . . 167 VAL C . 18291 1 756 . 1 1 168 168 VAL CA C 13 65.8486 0.3 . 1 . . . . 167 VAL CA . 18291 1 757 . 1 1 168 168 VAL CB C 13 32.1500 0.3 . 1 . . . . 167 VAL CB . 18291 1 758 . 1 1 168 168 VAL N N 15 120.2117 0.5 . 1 . . . . 167 VAL N . 18291 1 759 . 1 1 169 169 LEU H H 1 8.3179 0.03 . 1 . . . . 168 LEU HN . 18291 1 760 . 1 1 169 169 LEU C C 13 178.6422 0.3 . 1 . . . . 168 LEU C . 18291 1 761 . 1 1 169 169 LEU CA C 13 58.1449 0.3 . 1 . . . . 168 LEU CA . 18291 1 762 . 1 1 169 169 LEU CB C 13 41.7174 0.3 . 1 . . . . 168 LEU CB . 18291 1 763 . 1 1 169 169 LEU N N 15 119.7294 0.5 . 1 . . . . 168 LEU N . 18291 1 764 . 1 1 170 170 ARG H H 1 8.5096 0.03 . 1 . . . . 169 ARG HN . 18291 1 765 . 1 1 170 170 ARG C C 13 178.6439 0.3 . 1 . . . . 169 ARG C . 18291 1 766 . 1 1 170 170 ARG CA C 13 58.7606 0.3 . 1 . . . . 169 ARG CA . 18291 1 767 . 1 1 170 170 ARG CB C 13 28.8899 0.3 . 1 . . . . 169 ARG CB . 18291 1 768 . 1 1 170 170 ARG N N 15 117.7828 0.5 . 1 . . . . 169 ARG N . 18291 1 769 . 1 1 171 171 HIS H H 1 7.6725 0.03 . 1 . . . . 170 HIS HN . 18291 1 770 . 1 1 171 171 HIS C C 13 176.5510 0.3 . 1 . . . . 170 HIS C . 18291 1 771 . 1 1 171 171 HIS CA C 13 57.7785 0.3 . 1 . . . . 170 HIS CA . 18291 1 772 . 1 1 171 171 HIS CB C 13 27.7000 0.3 . 1 . . . . 170 HIS CB . 18291 1 773 . 1 1 171 171 HIS N N 15 116.7639 0.5 . 1 . . . . 170 HIS N . 18291 1 774 . 1 1 172 172 LEU H H 1 7.7321 0.03 . 1 . . . . 171 LEU HN . 18291 1 775 . 1 1 172 172 LEU C C 13 177.3788 0.3 . 1 . . . . 171 LEU C . 18291 1 776 . 1 1 172 172 LEU CA C 13 56.4766 0.3 . 1 . . . . 171 LEU CA . 18291 1 777 . 1 1 172 172 LEU CB C 13 42.2126 0.3 . 1 . . . . 171 LEU CB . 18291 1 778 . 1 1 172 172 LEU N N 15 118.0730 0.5 . 1 . . . . 171 LEU N . 18291 1 779 . 1 1 173 173 ALA H H 1 7.6223 0.03 . 1 . . . . 172 ALA HN . 18291 1 780 . 1 1 173 173 ALA C C 13 176.9913 0.3 . 1 . . . . 172 ALA C . 18291 1 781 . 1 1 173 173 ALA CA C 13 52.7463 0.3 . 1 . . . . 172 ALA CA . 18291 1 782 . 1 1 173 173 ALA CB C 13 18.9978 0.3 . 1 . . . . 172 ALA CB . 18291 1 783 . 1 1 173 173 ALA N N 15 120.0868 0.5 . 1 . . . . 172 ALA N . 18291 1 784 . 1 1 174 174 GLN H H 1 7.7023 0.03 . 1 . . . . 173 GLN HN . 18291 1 785 . 1 1 174 174 GLN CA C 13 53.4237 0.3 . 1 . . . . 173 GLN CA . 18291 1 786 . 1 1 174 174 GLN CB C 13 28.9956 0.3 . 1 . . . . 173 GLN CB . 18291 1 787 . 1 1 174 174 GLN N N 15 118.7110 0.5 . 1 . . . . 173 GLN N . 18291 1 stop_ save_