data_15514 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15514 _Entry.Title ; Assignment of backbone 1H, 13C and 15N resonances of human IgG1 Fc (51.4 kDa) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-10-09 _Entry.Accession_date 2007-10-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.109 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Melanie Cocco . . . 15514 2 Robert Rosenfied . . . 15514 3 Jeff Lewis . . . 15514 4 Da Ren . . . 15514 5 Luke Li . . . 15514 6 Richard Remmele . L. Jr. 15514 7 David Brems . N. . 15514 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15514 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 573 15514 '15N chemical shifts' 195 15514 '1H chemical shifts' 195 15514 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 . . 2009-08-12 2007-10-09 update BMRB 'added PubMed ID' 15514 1 . . 2008-01-28 2007-10-09 original author 'original release' 15514 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15514 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636873 _Citation.Full_citation . _Citation.Title 'Assignment of backbone (1)H, (13)C and (15)N resonances of human IgG1 Fc (51.4 kDa)' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 1 _Citation.Journal_issue 2 _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 233 _Citation.Page_last 235 _Citation.Year 2007 _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 Dingjiang Liu . . . 15514 1 2 Melanie Cocco . J. . 15514 1 3 Robert Rosenfied . . . 15514 1 4 Jeffery Lewis . K. . 15514 1 5 Da Ren . . . 15514 1 6 Luke Li . . . 15514 1 7 Richard Remmele . L. Jr. 15514 1 8 David Brems . N. . 15514 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID assignment 15514 1 Fc 15514 1 IgG1 15514 1 NMR 15514 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15514 _Assembly.ID 1 _Assembly.Name 'human IgG1 Fc' _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 'human IgG1 Fc, chain 1' 1 $IgG1_Fc A . yes native no no . . . 15514 1 2 'human IgG1 Fc, chain 2' 1 $IgG1_Fc A . yes native no no . . . 15514 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 'human IgG1 Fc, chain 1' 1 CYS 42 42 SG . 1 'human IgG1 Fc, chain 1' 1 CYS 102 102 SG . . . . . . . . . . 15514 1 2 disulfide single . 1 'human IgG1 Fc, chain 1' 1 CYS 148 148 SG . 1 'human IgG1 Fc, chain 1' 1 CYS 206 206 SG . . . . . . . . . . 15514 1 3 disulfide single . 2 'human IgG1 Fc, chain 2' 1 CYS 42 42 SG . 2 'human IgG1 Fc, chain 2' 1 CYS 102 102 SG . . . . . . . . . . 15514 1 4 disulfide single . 2 'human IgG1 Fc, chain 2' 1 CYS 148 148 SG . 2 'human IgG1 Fc, chain 2' 1 CYS 206 206 SG . . . . . . . . . . 15514 1 5 disulfide single . 1 'human IgG1 Fc, chain 1' 1 CYS 7 7 SG . 2 'human IgG1 Fc, chain 2' 1 CYS 7 7 SG . . . . . . . . . . 15514 1 6 disulfide single . 1 'human IgG1 Fc, chain 1' 1 CYS 10 10 SG . 2 'human IgG1 Fc, chain 2' 1 CYS 10 10 SG . . . . . . . . . . 15514 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IgG1_Fc _Entity.Sf_category entity _Entity.Sf_framecode IgG1_Fc _Entity.Entry_ID 15514 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IgG1_Fc _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 ; MDKTHTCPPCPAPELLGGPS VFLFPPKPKDTLMISRTPEV TCVVVDVSHEDPEVKFNWYV DGVEVHNAKTKPREEQYNST YRVVSVLTVLHQDWLNGKEY KCKVSNKALPAPIEKTISKA KGQPREPQVYTLPPSRDELT KNQVSLTCLVKGFYPSDIAV EWESNGQPENNYKTTPPVLD SDGSFFLYSKLTVDKSRWQQ GNVFSCSVMHEALHNHYTQK SLSLSPGK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 228 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment Fc _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 25679 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 25224 . human_IgG1-Fc . . . . . 97.37 222 100.00 100.00 1.46e-161 . . . . 15514 1 2 no PDB 1DN2 . "Fc Fragment Of Human Igg1 In Complex With An Engineered 13 Residue Peptide Dcawhlgelvwct-Nh2" . . . . . 90.79 207 98.55 100.00 4.18e-148 . . . . 15514 1 3 no PDB 1L6X . "Fc Fragment Of Rituximab Bound To A Minimized Version Of The B-Domain From Protein A Called Z34c" . . . . . 90.79 207 100.00 100.00 1.22e-149 . . . . 15514 1 4 no PDB 1OQO . "Complex Between G0 Version Of An Fc Bound To A Minimized Version Of Protein A Called Mini-Z" . . . . . 92.98 212 100.00 100.00 1.46e-153 . . . . 15514 1 5 no PDB 1OQX . "G-2 Glycovariant Of Human Igg Fc Bound To Minimized Version Of Protein A Called Z34c" . . . . . 92.98 212 100.00 100.00 1.46e-153 . . . . 15514 1 6 no PDB 1T83 . "Crystal Structure Of A Human Type Iii Fc Gamma Receptor In Complex With An Fc Fragment Of Igg1 (Orthorhombic)" . . . . . 98.25 224 99.11 100.00 1.72e-162 . . . . 15514 1 7 no PDB 1T89 . "Crystal Structure Of A Human Type Iii Fc Gamma Receptor In Complex With An Fc Fragment Of Igg1 (Hexagonal)" . . . . . 98.25 224 99.11 100.00 1.72e-162 . . . . 15514 1 8 no PDB 2DTS . "Crystal Structure Of The Defucosylated Fc Fragment From Human Immunoglobulin G1" . . . . . 97.81 223 100.00 100.00 2.83e-162 . . . . 15514 1 9 no PDB 2GJ7 . "Crystal Structure Of A Ge-GiFC COMPLEX" . . . . . 99.12 227 98.67 100.00 2.21e-163 . . . . 15514 1 10 no PDB 2IWG . "Complex Between The Pryspry Domain Of Trim21 And Igg Fc" . . . . . 90.79 207 100.00 100.00 1.22e-149 . . . . 15514 1 11 no PDB 2J6E . "Crystal Structure Of An Autoimmune Complex Between A Human Igm Rheumatoid Factor And Igg1 Fc Reveals A Novel Fc Epitope And Evi" . . . . . 99.56 232 99.56 100.00 7.57e-165 . . . . 15514 1 12 no PDB 2QL1 . "Structural Characterization Of A Mutated, Adcc-Enhanced Human Fc Fragment" . . . . . 98.68 225 97.78 98.67 1.99e-160 . . . . 15514 1 13 no PDB 2WAH . "Crystal Structure Of An Igg1 Fc Glycoform (man9glcnac2)" . . . . . 91.67 209 99.52 99.52 2.36e-150 . . . . 15514 1 14 no PDB 3AGV . "Crystal Structure Of A Human Igg-Aptamer Complex" . . . . . 92.54 211 100.00 100.00 1.55e-152 . . . . 15514 1 15 no PDB 3AVE . "Crystal Structure Of The Fucosylated Fc Fragment From Human Immunoglobulin G1" . . . . . 97.81 223 100.00 100.00 2.83e-162 . . . . 15514 1 16 no PDB 3AY4 . "Crystal Structure Of Nonfucosylated Fc Complexed With Bis-Glycosylated Soluble Form Of Fc Gamma Receptor Iiia" . . . . . 97.81 223 100.00 100.00 2.83e-162 . . . . 15514 1 17 no PDB 3C2S . "Structural Characterization Of A Human Fc Fragment Engineered For Lack Of Effector Functions" . . . . . 98.68 225 97.78 98.67 9.64e-161 . . . . 15514 1 18 no PDB 3D6G . "Fc Fragment Of Igg1 (herceptin) With Protein-a Mimetic Peptide Dendrimer Ligand" . . . . . 92.11 210 100.00 100.00 6.76e-152 . . . . 15514 1 19 no PDB 3DNK . "Enzyme Deglycosylated Human Igg1 Fc Fragment" . . . . . 92.98 212 98.58 100.00 5.83e-152 . . . . 15514 1 20 no PDB 3DO3 . "Human 1gg1 Fc Fragment, 2.5 Angstrom Structure" . . . . . 92.98 212 99.06 100.00 1.21e-152 . . . . 15514 1 21 no PDB 3FJT . "Crystal Structure Of A Human Fc Fragment Engineered For Extended Serum Half-life" . . . . . 91.67 209 98.56 99.04 1.21e-148 . . . . 15514 1 22 no PDB 3S7G . "Aglycosylated Human Igg1 Fc Fragment" . . . . . 99.56 227 100.00 100.00 1.06e-165 . . . . 15514 1 23 no PDB 3SGJ . "Unique Carbohydrate-Carbohydrate Interactions Are Required For High Affinity Binding Between Fcgiii And Antibodies Lacking Core" . . . . . 98.68 225 100.00 100.00 4.86e-164 . . . . 15514 1 24 no PDB 3SGK . "Unique CarbohydrateCARBOHYDRATE INTERACTIONS ARE REQUIRED FOR HIGH Affinity Binding Of Fcgiii And Antibodies Lacking Core Fucos" . . . . . 98.68 225 100.00 100.00 4.86e-164 . . . . 15514 1 25 no PDB 3V7M . "Crystal Structure Of Monoclonal Human Anti-rhesus D Fc Igg1 T125(yb2/0) In The Presence Of Zn2+" . . . . . 91.67 209 100.00 100.00 4.52e-151 . . . . 15514 1 26 no PDB 3V8C . "Crystal Structure Of Monoclonal Human Anti-rhesus D Fc Igg1 T125(yb2/0) Double Mutant (h310 And H435 In K)" . . . . . 92.98 212 99.06 99.06 3.87e-151 . . . . 15514 1 27 no PDB 3V95 . "Crystal Structure Of Monoclonal Human Anti-rhesus D Fc And Igg1 T125(yb2/0) In The Presence Of Edta" . . . . . 92.98 212 100.00 100.00 1.46e-153 . . . . 15514 1 28 no PDB 3WJJ . "Crystal Structure Of Iib Selective Fc Variant, Fc(p238d), In Complex With Fcgriib" . . . . . 98.68 230 99.56 99.56 6.11e-163 . . . . 15514 1 29 no PDB 3WJL . "Crystal Structure Of Iib Selective Fc Variant, Fc(v12), In Complex With Fcgriib" . . . . . 98.68 230 97.33 97.78 4.48e-158 . . . . 15514 1 30 no PDB 3WKN . "Crystal Structure Of The Artificial Protein Affinger P17 (af.p17) Complexed With Fc Fragment Of Human Igg" . . . . . 92.98 212 100.00 100.00 1.46e-153 . . . . 15514 1 31 no PDB 4ACP . "Deactivation Of Human Igg1 Fc By Endoglycosidase Treatment" . . . . . 99.12 240 99.56 99.56 4.00e-164 . . . . 15514 1 32 no PDB 4B7I . "Crystal Structure Of Human Igg Fc Bearing Hybrid-Type Glycans" . . . . . 92.11 218 99.52 99.52 4.84e-151 . . . . 15514 1 33 no PDB 4BM7 . "Crystal Structure Of Igg Fc F241a Mutant With Native Glycosylation" . . . . . 98.25 233 98.66 99.55 3.73e-161 . . . . 15514 1 34 no PDB 4BYH . "Crystal Structure Of Sialylated Igg Fc" . . . . . 98.25 233 99.11 100.00 2.12e-162 . . . . 15514 1 35 no PDB 4CDH . "Crystallographic Structure Of The Human Igg1 Alpha 2-6 Sialilated Fc-fragment" . . . . . 99.56 255 100.00 100.00 1.13e-166 . . . . 15514 1 36 no PDB 4DZ8 . "Human Igg1 Fc Fragment Heterodimer" . . . . . 92.54 211 99.05 99.05 1.32e-147 . . . . 15514 1 37 no PDB 4J12 . "Monomeric Fc" . . . . . 91.67 210 97.61 99.04 1.71e-147 . . . . 15514 1 38 no PDB 4KU1 . "Role Of The Hinge And C-gamma-2/c-gamma-3 Interface In Immunoglobin G1 Fc Domain Motions: Implications For Fc Engineering" . . . . . 91.23 208 100.00 100.00 3.56e-150 . . . . 15514 1 39 no PDB 4N0U . "Ternary Complex Between Neonatal Fc Receptor, Serum Albumin And Fc" . . . . . 91.67 209 98.56 99.04 1.21e-148 . . . . 15514 1 40 no PDB 4NQS . "Knob-into-hole Igg Fc" . . . . . 93.42 213 98.59 99.53 6.52e-152 . . . . 15514 1 41 no PDB 4NQT . "Anti-parallel Fc-hole(t366s/l368a/y407v) Homodimer" . . . . . 93.42 213 97.65 99.06 6.92e-151 . . . . 15514 1 42 no PDB 4NQU . "Anti-parallel Fc-knob (t366w) Homodimer" . . . . . 93.42 213 98.59 99.53 6.52e-152 . . . . 15514 1 43 no PDB 4Q6Y . "Crystal Structure Of A Chemoenzymatic Glycoengineered Disialylated Fc (di-sfc)" . . . . . 96.93 221 100.00 100.00 5.57e-161 . . . . 15514 1 44 no PDB 4Q74 . "F241a Fc" . . . . . 98.68 230 98.67 99.11 1.56e-161 . . . . 15514 1 45 no PDB 4Q7D . "Wild Type Fc (wtfc)" . . . . . 96.93 221 100.00 100.00 5.57e-161 . . . . 15514 1 46 no PDB 4QGT . "The Crystal Structure Of Human Igg Fc Domain With Enhanced Aromatic Sequon" . . . . . 99.56 233 98.24 99.12 2.89e-162 . . . . 15514 1 47 no PDB 4W4N . "Crystal Structure Of Human Fc At 1.80 A" . . . . . 97.81 223 100.00 100.00 1.30e-162 . . . . 15514 1 48 no PDB 4W4O . "High-resolution Crystal Structure Of Fc Bound To Its Human Receptor Fc-gamma-ri" . . . . . 98.25 224 99.55 100.00 5.32e-163 . . . . 15514 1 49 no PDB 4WI2 . "Structural Mapping Of The Human Igg1 Binding Site For Fcrn: Hu3s193 Fc (wild-type)" . . . . . 91.23 208 100.00 100.00 3.56e-150 . . . . 15514 1 50 no PDB 4WI3 . "Structural Mapping Of The Human Igg1 Binding Site For Fcrn: Hu3s193 Fc Mutation I253a" . . . . . 91.23 208 99.52 99.52 1.82e-149 . . . . 15514 1 51 no PDB 4WI4 . "Structural Mapping Of The Human Igg1 Binding Site For Fcrn: Hu3s193 Fc Mutation S254a" . . . . . 90.79 207 99.52 100.00 6.44e-149 . . . . 15514 1 52 no PDB 4WI5 . "Structural Mapping Of The Human Igg1 Binding Site For Fcrn: Hu3s193 Fc Mutation H310a" . . . . . 91.23 208 99.52 99.52 6.97e-149 . . . . 15514 1 53 no PDB 4WI6 . "Structural Mapping Of The Human Igg1 Binding Site For Fcrn: Hu3s193 Fc Mutation N434a" . . . . . 91.23 208 99.52 99.52 3.58e-149 . . . . 15514 1 54 no PDB 4WI7 . "Structural Mapping Of The Human Igg1 Binding Site For Fcrn: Hu3s193 Fc Mutation H435a" . . . . . 91.23 208 99.52 99.52 6.97e-149 . . . . 15514 1 55 no PDB 4WI8 . "Structural Mapping Of The Human Igg1 Binding Site For Fcrn: Hu3s193 Fc Mutation Y436a" . . . . . 91.23 208 99.52 99.52 5.13e-149 . . . . 15514 1 56 no PDB 4WI9 . "Structural Mapping Of The Human Igg1 Binding Site For Fcrn: Hu3s193 Fc Mutation I253a/h310a" . . . . . 91.23 208 99.04 99.04 3.30e-148 . . . . 15514 1 57 no PDB 4X4M . "Structure Of Fcgammari In Complex With Fc Reveals The Importance Of Glycan Recognition For High Affinity Igg Binding" . . . . . 96.05 219 100.00 100.00 7.21e-159 . . . . 15514 1 58 no PDB 4X98 . "Immunoglobulin Fc Heterodimer Variant" . . . . . 96.49 220 99.09 99.55 5.72e-158 . . . . 15514 1 59 no PDB 4X99 . "Immunoglobulin Fc Heterodimers Variant" . . . . . 97.81 223 98.65 99.10 7.14e-159 . . . . 15514 1 60 no PDB 4ZNE . "Igg1 Fc-fcgammari Ecd Complex" . . . . . 99.56 227 100.00 100.00 1.06e-165 . . . . 15514 1 61 no PDB 5BW7 . "Crystal Structure Of Nonfucosylated Fc Y296w Mutant Complexed With Bis-glycosylated Soluble Form Of Fc Gamma Receptor Iiia" . . . . . 97.81 223 99.55 100.00 2.10e-161 . . . . 15514 1 62 no DBJ BAC86226 . "unnamed protein product [Homo sapiens]" . . . . . 99.56 447 100.00 100.00 7.53e-164 . . . . 15514 1 63 no EMBL CAA49866 . "IgG1 Fc fragment [synthetic construct]" . . . . . 99.56 255 100.00 100.00 1.13e-166 . . . . 15514 1 64 no EMBL CAE45920 . "hypothetical protein [Homo sapiens]" . . . . . 99.56 473 99.12 100.00 8.78e-163 . . . . 15514 1 65 no EMBL CAM91874 . "soluble immunoglobulin-like receptor CHIR-AB1 construct [synthetic construct]" . . . . . 99.56 364 99.56 99.56 2.46e-163 . . . . 15514 1 66 no EMBL CAP05188 . "murine anti-CD30 ScFv antibody-human IgG1-IL2 chimeric fusion protein [synthetic construct]" . . . . . 95.18 646 99.54 100.00 7.81e-153 . . . . 15514 1 67 no EMBL CAP05190 . "human IgG1-IL2-murine anti-CD30 ScFv antibody chimaeric fusion protein [synthetic construct]" . . . . . 94.30 615 100.00 100.00 5.12e-152 . . . . 15514 1 68 no GB AAB37424 . "FV/M4 [synthetic construct]" . . . . . 99.56 487 99.12 99.12 4.16e-162 . . . . 15514 1 69 no GB AAD38158 . "immunoglobulin G1 Fc fragment [Homo sapiens]" . . . . . 97.81 223 99.55 99.55 2.75e-161 . . . . 15514 1 70 no GB AAF42993 . "10B5 scFv [synthetic construct]" . . . . . 96.49 604 98.64 99.09 6.53e-156 . . . . 15514 1 71 no GB AAG00448 . "anti-human melanoma single-chain variable fragment antibody G71-1 immunoconjugate [synthetic construct]" . . . . . 99.56 501 100.00 100.00 2.61e-164 . . . . 15514 1 72 no GB AAG00449 . "mutated mouse factor VII molecule immunoconjugate [synthetic construct]" . . . . . 99.56 681 100.00 100.00 1.05e-159 . . . . 15514 1 73 no PIR PT0207 . "Ig gamma chain C region - chimpanzee" . . . . . 96.49 234 98.64 99.09 2.00e-158 . . . . 15514 1 74 no PIR S69339 . "Ig heavy chain V region precursor - human" . . . . . 99.56 374 99.12 100.00 2.59e-163 . . . . 15514 1 75 no PRF 1605217A . "Ig gamma1" . . . . . 97.81 224 99.10 100.00 8.95e-162 . . . . 15514 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15514 1 2 . ASP . 15514 1 3 . LYS . 15514 1 4 . THR . 15514 1 5 . HIS . 15514 1 6 . THR . 15514 1 7 . CYS . 15514 1 8 . PRO . 15514 1 9 . PRO . 15514 1 10 . CYS . 15514 1 11 . PRO . 15514 1 12 . ALA . 15514 1 13 . PRO . 15514 1 14 . GLU . 15514 1 15 . LEU . 15514 1 16 . LEU . 15514 1 17 . GLY . 15514 1 18 . GLY . 15514 1 19 . PRO . 15514 1 20 . SER . 15514 1 21 . VAL . 15514 1 22 . PHE . 15514 1 23 . LEU . 15514 1 24 . PHE . 15514 1 25 . PRO . 15514 1 26 . PRO . 15514 1 27 . LYS . 15514 1 28 . PRO . 15514 1 29 . LYS . 15514 1 30 . ASP . 15514 1 31 . THR . 15514 1 32 . LEU . 15514 1 33 . MET . 15514 1 34 . ILE . 15514 1 35 . SER . 15514 1 36 . ARG . 15514 1 37 . THR . 15514 1 38 . PRO . 15514 1 39 . GLU . 15514 1 40 . VAL . 15514 1 41 . THR . 15514 1 42 . CYS . 15514 1 43 . VAL . 15514 1 44 . VAL . 15514 1 45 . VAL . 15514 1 46 . ASP . 15514 1 47 . VAL . 15514 1 48 . SER . 15514 1 49 . HIS . 15514 1 50 . GLU . 15514 1 51 . ASP . 15514 1 52 . PRO . 15514 1 53 . GLU . 15514 1 54 . VAL . 15514 1 55 . LYS . 15514 1 56 . PHE . 15514 1 57 . ASN . 15514 1 58 . TRP . 15514 1 59 . TYR . 15514 1 60 . VAL . 15514 1 61 . ASP . 15514 1 62 . GLY . 15514 1 63 . VAL . 15514 1 64 . GLU . 15514 1 65 . VAL . 15514 1 66 . HIS . 15514 1 67 . ASN . 15514 1 68 . ALA . 15514 1 69 . LYS . 15514 1 70 . THR . 15514 1 71 . LYS . 15514 1 72 . PRO . 15514 1 73 . ARG . 15514 1 74 . GLU . 15514 1 75 . GLU . 15514 1 76 . GLN . 15514 1 77 . TYR . 15514 1 78 . ASN . 15514 1 79 . SER . 15514 1 80 . THR . 15514 1 81 . TYR . 15514 1 82 . ARG . 15514 1 83 . VAL . 15514 1 84 . VAL . 15514 1 85 . SER . 15514 1 86 . VAL . 15514 1 87 . LEU . 15514 1 88 . THR . 15514 1 89 . VAL . 15514 1 90 . LEU . 15514 1 91 . HIS . 15514 1 92 . GLN . 15514 1 93 . ASP . 15514 1 94 . TRP . 15514 1 95 . LEU . 15514 1 96 . ASN . 15514 1 97 . GLY . 15514 1 98 . LYS . 15514 1 99 . GLU . 15514 1 100 . TYR . 15514 1 101 . LYS . 15514 1 102 . CYS . 15514 1 103 . LYS . 15514 1 104 . VAL . 15514 1 105 . SER . 15514 1 106 . ASN . 15514 1 107 . LYS . 15514 1 108 . ALA . 15514 1 109 . LEU . 15514 1 110 . PRO . 15514 1 111 . ALA . 15514 1 112 . PRO . 15514 1 113 . ILE . 15514 1 114 . GLU . 15514 1 115 . LYS . 15514 1 116 . THR . 15514 1 117 . ILE . 15514 1 118 . SER . 15514 1 119 . LYS . 15514 1 120 . ALA . 15514 1 121 . LYS . 15514 1 122 . GLY . 15514 1 123 . GLN . 15514 1 124 . PRO . 15514 1 125 . ARG . 15514 1 126 . GLU . 15514 1 127 . PRO . 15514 1 128 . GLN . 15514 1 129 . VAL . 15514 1 130 . TYR . 15514 1 131 . THR . 15514 1 132 . LEU . 15514 1 133 . PRO . 15514 1 134 . PRO . 15514 1 135 . SER . 15514 1 136 . ARG . 15514 1 137 . ASP . 15514 1 138 . GLU . 15514 1 139 . LEU . 15514 1 140 . THR . 15514 1 141 . LYS . 15514 1 142 . ASN . 15514 1 143 . GLN . 15514 1 144 . VAL . 15514 1 145 . SER . 15514 1 146 . LEU . 15514 1 147 . THR . 15514 1 148 . CYS . 15514 1 149 . LEU . 15514 1 150 . VAL . 15514 1 151 . LYS . 15514 1 152 . GLY . 15514 1 153 . PHE . 15514 1 154 . TYR . 15514 1 155 . PRO . 15514 1 156 . SER . 15514 1 157 . ASP . 15514 1 158 . ILE . 15514 1 159 . ALA . 15514 1 160 . VAL . 15514 1 161 . GLU . 15514 1 162 . TRP . 15514 1 163 . GLU . 15514 1 164 . SER . 15514 1 165 . ASN . 15514 1 166 . GLY . 15514 1 167 . GLN . 15514 1 168 . PRO . 15514 1 169 . GLU . 15514 1 170 . ASN . 15514 1 171 . ASN . 15514 1 172 . TYR . 15514 1 173 . LYS . 15514 1 174 . THR . 15514 1 175 . THR . 15514 1 176 . PRO . 15514 1 177 . PRO . 15514 1 178 . VAL . 15514 1 179 . LEU . 15514 1 180 . ASP . 15514 1 181 . SER . 15514 1 182 . ASP . 15514 1 183 . GLY . 15514 1 184 . SER . 15514 1 185 . PHE . 15514 1 186 . PHE . 15514 1 187 . LEU . 15514 1 188 . TYR . 15514 1 189 . SER . 15514 1 190 . LYS . 15514 1 191 . LEU . 15514 1 192 . THR . 15514 1 193 . VAL . 15514 1 194 . ASP . 15514 1 195 . LYS . 15514 1 196 . SER . 15514 1 197 . ARG . 15514 1 198 . TRP . 15514 1 199 . GLN . 15514 1 200 . GLN . 15514 1 201 . GLY . 15514 1 202 . ASN . 15514 1 203 . VAL . 15514 1 204 . PHE . 15514 1 205 . SER . 15514 1 206 . CYS . 15514 1 207 . SER . 15514 1 208 . VAL . 15514 1 209 . MET . 15514 1 210 . HIS . 15514 1 211 . GLU . 15514 1 212 . ALA . 15514 1 213 . LEU . 15514 1 214 . HIS . 15514 1 215 . ASN . 15514 1 216 . HIS . 15514 1 217 . TYR . 15514 1 218 . THR . 15514 1 219 . GLN . 15514 1 220 . LYS . 15514 1 221 . SER . 15514 1 222 . LEU . 15514 1 223 . SER . 15514 1 224 . LEU . 15514 1 225 . SER . 15514 1 226 . PRO . 15514 1 227 . GLY . 15514 1 228 . LYS . 15514 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 15514 1 . ASP 2 2 15514 1 . LYS 3 3 15514 1 . THR 4 4 15514 1 . HIS 5 5 15514 1 . THR 6 6 15514 1 . CYS 7 7 15514 1 . PRO 8 8 15514 1 . PRO 9 9 15514 1 . CYS 10 10 15514 1 . PRO 11 11 15514 1 . ALA 12 12 15514 1 . PRO 13 13 15514 1 . GLU 14 14 15514 1 . LEU 15 15 15514 1 . LEU 16 16 15514 1 . GLY 17 17 15514 1 . GLY 18 18 15514 1 . PRO 19 19 15514 1 . SER 20 20 15514 1 . VAL 21 21 15514 1 . PHE 22 22 15514 1 . LEU 23 23 15514 1 . PHE 24 24 15514 1 . PRO 25 25 15514 1 . PRO 26 26 15514 1 . LYS 27 27 15514 1 . PRO 28 28 15514 1 . LYS 29 29 15514 1 . ASP 30 30 15514 1 . THR 31 31 15514 1 . LEU 32 32 15514 1 . MET 33 33 15514 1 . ILE 34 34 15514 1 . SER 35 35 15514 1 . ARG 36 36 15514 1 . THR 37 37 15514 1 . PRO 38 38 15514 1 . GLU 39 39 15514 1 . VAL 40 40 15514 1 . THR 41 41 15514 1 . CYS 42 42 15514 1 . VAL 43 43 15514 1 . VAL 44 44 15514 1 . VAL 45 45 15514 1 . ASP 46 46 15514 1 . VAL 47 47 15514 1 . SER 48 48 15514 1 . HIS 49 49 15514 1 . GLU 50 50 15514 1 . ASP 51 51 15514 1 . PRO 52 52 15514 1 . GLU 53 53 15514 1 . VAL 54 54 15514 1 . LYS 55 55 15514 1 . PHE 56 56 15514 1 . ASN 57 57 15514 1 . TRP 58 58 15514 1 . TYR 59 59 15514 1 . VAL 60 60 15514 1 . ASP 61 61 15514 1 . GLY 62 62 15514 1 . VAL 63 63 15514 1 . GLU 64 64 15514 1 . VAL 65 65 15514 1 . HIS 66 66 15514 1 . ASN 67 67 15514 1 . ALA 68 68 15514 1 . LYS 69 69 15514 1 . THR 70 70 15514 1 . LYS 71 71 15514 1 . PRO 72 72 15514 1 . ARG 73 73 15514 1 . GLU 74 74 15514 1 . GLU 75 75 15514 1 . GLN 76 76 15514 1 . TYR 77 77 15514 1 . ASN 78 78 15514 1 . SER 79 79 15514 1 . THR 80 80 15514 1 . TYR 81 81 15514 1 . ARG 82 82 15514 1 . VAL 83 83 15514 1 . VAL 84 84 15514 1 . SER 85 85 15514 1 . VAL 86 86 15514 1 . LEU 87 87 15514 1 . THR 88 88 15514 1 . VAL 89 89 15514 1 . LEU 90 90 15514 1 . HIS 91 91 15514 1 . GLN 92 92 15514 1 . ASP 93 93 15514 1 . TRP 94 94 15514 1 . LEU 95 95 15514 1 . ASN 96 96 15514 1 . GLY 97 97 15514 1 . LYS 98 98 15514 1 . GLU 99 99 15514 1 . TYR 100 100 15514 1 . LYS 101 101 15514 1 . CYS 102 102 15514 1 . LYS 103 103 15514 1 . VAL 104 104 15514 1 . SER 105 105 15514 1 . ASN 106 106 15514 1 . LYS 107 107 15514 1 . ALA 108 108 15514 1 . LEU 109 109 15514 1 . PRO 110 110 15514 1 . ALA 111 111 15514 1 . PRO 112 112 15514 1 . ILE 113 113 15514 1 . GLU 114 114 15514 1 . LYS 115 115 15514 1 . THR 116 116 15514 1 . ILE 117 117 15514 1 . SER 118 118 15514 1 . LYS 119 119 15514 1 . ALA 120 120 15514 1 . LYS 121 121 15514 1 . GLY 122 122 15514 1 . GLN 123 123 15514 1 . PRO 124 124 15514 1 . ARG 125 125 15514 1 . GLU 126 126 15514 1 . PRO 127 127 15514 1 . GLN 128 128 15514 1 . VAL 129 129 15514 1 . TYR 130 130 15514 1 . THR 131 131 15514 1 . LEU 132 132 15514 1 . PRO 133 133 15514 1 . PRO 134 134 15514 1 . SER 135 135 15514 1 . ARG 136 136 15514 1 . ASP 137 137 15514 1 . GLU 138 138 15514 1 . LEU 139 139 15514 1 . THR 140 140 15514 1 . LYS 141 141 15514 1 . ASN 142 142 15514 1 . GLN 143 143 15514 1 . VAL 144 144 15514 1 . SER 145 145 15514 1 . LEU 146 146 15514 1 . THR 147 147 15514 1 . CYS 148 148 15514 1 . LEU 149 149 15514 1 . VAL 150 150 15514 1 . LYS 151 151 15514 1 . GLY 152 152 15514 1 . PHE 153 153 15514 1 . TYR 154 154 15514 1 . PRO 155 155 15514 1 . SER 156 156 15514 1 . ASP 157 157 15514 1 . ILE 158 158 15514 1 . ALA 159 159 15514 1 . VAL 160 160 15514 1 . GLU 161 161 15514 1 . TRP 162 162 15514 1 . GLU 163 163 15514 1 . SER 164 164 15514 1 . ASN 165 165 15514 1 . GLY 166 166 15514 1 . GLN 167 167 15514 1 . PRO 168 168 15514 1 . GLU 169 169 15514 1 . ASN 170 170 15514 1 . ASN 171 171 15514 1 . TYR 172 172 15514 1 . LYS 173 173 15514 1 . THR 174 174 15514 1 . THR 175 175 15514 1 . PRO 176 176 15514 1 . PRO 177 177 15514 1 . VAL 178 178 15514 1 . LEU 179 179 15514 1 . ASP 180 180 15514 1 . SER 181 181 15514 1 . ASP 182 182 15514 1 . GLY 183 183 15514 1 . SER 184 184 15514 1 . PHE 185 185 15514 1 . PHE 186 186 15514 1 . LEU 187 187 15514 1 . TYR 188 188 15514 1 . SER 189 189 15514 1 . LYS 190 190 15514 1 . LEU 191 191 15514 1 . THR 192 192 15514 1 . VAL 193 193 15514 1 . ASP 194 194 15514 1 . LYS 195 195 15514 1 . SER 196 196 15514 1 . ARG 197 197 15514 1 . TRP 198 198 15514 1 . GLN 199 199 15514 1 . GLN 200 200 15514 1 . GLY 201 201 15514 1 . ASN 202 202 15514 1 . VAL 203 203 15514 1 . PHE 204 204 15514 1 . SER 205 205 15514 1 . CYS 206 206 15514 1 . SER 207 207 15514 1 . VAL 208 208 15514 1 . MET 209 209 15514 1 . HIS 210 210 15514 1 . GLU 211 211 15514 1 . ALA 212 212 15514 1 . LEU 213 213 15514 1 . HIS 214 214 15514 1 . ASN 215 215 15514 1 . HIS 216 216 15514 1 . TYR 217 217 15514 1 . THR 218 218 15514 1 . GLN 219 219 15514 1 . LYS 220 220 15514 1 . SER 221 221 15514 1 . LEU 222 222 15514 1 . SER 223 223 15514 1 . LEU 224 224 15514 1 . SER 225 225 15514 1 . PRO 226 226 15514 1 . GLY 227 227 15514 1 . LYS 228 228 15514 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 15514 _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 $IgG1_Fc . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15514 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 15514 _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 $IgG1_Fc . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pAM . . . . . . 15514 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15514 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'IgG1 Fc' '[U-13C; U-15N; U-2H]' . . 1 $IgG1_Fc . . 2.5 . . mM . . . . 15514 1 2 'sodium acetate' . . . . . . . 10 . . mM . . . . 15514 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 15514 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 15514 1 pH 5.0 . pH 15514 1 pressure 1 . atm 15514 1 temperature 302 . K 15514 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15514 _Software.ID 1 _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' . . 15514 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15514 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15514 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15514 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15514 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15514 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15514 _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 Varian INOVA . 800 . . . 15514 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 15514 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15514 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15514 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15514 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15514 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15514 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15514 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 15514 _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 'methylene protons' . . . . ppm 0 external indirect 0.251449530 . . . . . . . . . 15514 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 15514 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 15514 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 15514 _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 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 2 '3D HNCO' . . . 15514 1 4 '3D HNCACB' . . . 15514 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASP C C 13 175.998 0.05 . 1 . . . . 2 D C . 15514 1 2 . 1 1 2 2 ASP CA C 13 53.830 0.05 . 1 . . . . 2 D CA . 15514 1 3 . 1 1 2 2 ASP CB C 13 41.040 0.05 . 1 . . . . 2 D CB . 15514 1 4 . 1 1 3 3 LYS H H 1 8.522 0.005 . 1 . . . . 3 K HN . 15514 1 5 . 1 1 3 3 LYS C C 13 176.928 0.05 . 1 . . . . 3 K C . 15514 1 6 . 1 1 3 3 LYS CA C 13 56.277 0.05 . 1 . . . . 3 K CA . 15514 1 7 . 1 1 3 3 LYS CB C 13 31.860 0.05 . 1 . . . . 3 K CB . 15514 1 8 . 1 1 3 3 LYS N N 15 123.013 0.05 . 1 . . . . 3 K N . 15514 1 9 . 1 1 4 4 THR H H 1 8.138 0.005 . 1 . . . . 4 T HN . 15514 1 10 . 1 1 4 4 THR C C 13 174.427 0.05 . 1 . . . . 4 T C . 15514 1 11 . 1 1 4 4 THR CA C 13 61.905 0.05 . 1 . . . . 4 T CA . 15514 1 12 . 1 1 4 4 THR CB C 13 69.183 0.05 . 1 . . . . 4 T CB . 15514 1 13 . 1 1 4 4 THR N N 15 114.456 0.05 . 1 . . . . 4 T N . 15514 1 14 . 1 1 5 5 HIS H H 1 8.307 0.005 . 1 . . . . 5 H HN . 15514 1 15 . 1 1 5 5 HIS C C 13 174.273 0.05 . 1 . . . . 5 H C . 15514 1 16 . 1 1 5 5 HIS CA C 13 55.131 0.05 . 1 . . . . 5 H CA . 15514 1 17 . 1 1 5 5 HIS CB C 13 28.671 0.05 . 1 . . . . 5 H CB . 15514 1 18 . 1 1 5 5 HIS N N 15 121.006 0.05 . 1 . . . . 5 H N . 15514 1 19 . 1 1 6 6 THR H H 1 8.052 0.005 . 1 . . . . 6 T HN . 15514 1 20 . 1 1 6 6 THR C C 13 174.463 0.05 . 1 . . . . 6 T C . 15514 1 21 . 1 1 6 6 THR CA C 13 61.538 0.05 . 1 . . . . 6 T CA . 15514 1 22 . 1 1 6 6 THR CB C 13 69.449 0.05 . 1 . . . . 6 T CB . 15514 1 23 . 1 1 6 6 THR N N 15 116.427 0.05 . 1 . . . . 6 T N . 15514 1 24 . 1 1 7 7 CYS H H 1 8.493 0.005 . 1 . . . . 7 C HN . 15514 1 25 . 1 1 7 7 CYS CA C 13 53.219 0.05 . 1 . . . . 7 C CA . 15514 1 26 . 1 1 7 7 CYS CB C 13 39.952 0.05 . 1 . . . . 7 C CB . 15514 1 27 . 1 1 7 7 CYS N N 15 123.245 0.05 . 1 . . . . 7 C N . 15514 1 28 . 1 1 9 9 PRO C C 13 177.014 0.05 . 1 . . . . 9 P C . 15514 1 29 . 1 1 9 9 PRO CA C 13 62.270 0.05 . 1 . . . . 9 P CA . 15514 1 30 . 1 1 9 9 PRO CB C 13 31.260 0.05 . 1 . . . . 9 P CB . 15514 1 31 . 1 1 10 10 CYS H H 1 8.650 0.005 . 1 . . . . 10 C HN . 15514 1 32 . 1 1 10 10 CYS CA C 13 52.794 0.05 . 1 . . . . 10 C CA . 15514 1 33 . 1 1 10 10 CYS CB C 13 37.682 0.05 . 1 . . . . 10 C CB . 15514 1 34 . 1 1 10 10 CYS N N 15 121.958 0.05 . 1 . . . . 10 C N . 15514 1 35 . 1 1 11 11 PRO C C 13 175.889 0.05 . 1 . . . . 11 P C . 15514 1 36 . 1 1 11 11 PRO CA C 13 62.378 0.05 . 1 . . . . 11 P CA . 15514 1 37 . 1 1 11 11 PRO CB C 13 31.423 0.05 . 1 . . . . 11 P CB . 15514 1 38 . 1 1 12 12 ALA H H 1 8.277 0.005 . 1 . . . . 12 A HN . 15514 1 39 . 1 1 12 12 ALA CA C 13 49.955 0.05 . 1 . . . . 12 A CA . 15514 1 40 . 1 1 12 12 ALA CB C 13 17.366 0.05 . 1 . . . . 12 A CB . 15514 1 41 . 1 1 12 12 ALA N N 15 126.221 0.05 . 1 . . . . 12 A N . 15514 1 42 . 1 1 13 13 PRO CA C 13 62.975 0.05 . 1 . . . . 13 P CA . 15514 1 43 . 1 1 13 13 PRO CB C 13 31.810 0.05 . 1 . . . . 13 P CB . 15514 1 44 . 1 1 14 14 GLU H H 1 8.510 0.005 . 1 . . . . 14 E HN . 15514 1 45 . 1 1 14 14 GLU CA C 13 56.222 0.05 . 1 . . . . 14 E CA . 15514 1 46 . 1 1 14 14 GLU CB C 13 29.095 0.05 . 1 . . . . 14 E CB . 15514 1 47 . 1 1 14 14 GLU N N 15 120.603 0.05 . 1 . . . . 14 E N . 15514 1 48 . 1 1 15 15 LEU H H 1 8.160 0.005 . 1 . . . . 15 L HN . 15514 1 49 . 1 1 15 15 LEU C C 13 177.219 0.05 . 1 . . . . 15 L C . 15514 1 50 . 1 1 15 15 LEU CA C 13 54.592 0.05 . 1 . . . . 15 L CA . 15514 1 51 . 1 1 15 15 LEU CB C 13 41.241 0.05 . 1 . . . . 15 L CB . 15514 1 52 . 1 1 15 15 LEU N N 15 123.247 0.05 . 1 . . . . 15 L N . 15514 1 53 . 1 1 16 16 LEU H H 1 8.117 0.005 . 1 . . . . 16 L HN . 15514 1 54 . 1 1 16 16 LEU C C 13 177.771 0.05 . 1 . . . . 16 L C . 15514 1 55 . 1 1 16 16 LEU CA C 13 54.779 0.05 . 1 . . . . 16 L CA . 15514 1 56 . 1 1 16 16 LEU CB C 13 41.412 0.05 . 1 . . . . 16 L CB . 15514 1 57 . 1 1 16 16 LEU N N 15 123.646 0.05 . 1 . . . . 16 L N . 15514 1 58 . 1 1 17 17 GLY H H 1 8.301 0.005 . 1 . . . . 17 G HN . 15514 1 59 . 1 1 17 17 GLY C C 13 174.111 0.05 . 1 . . . . 17 G C . 15514 1 60 . 1 1 17 17 GLY CA C 13 44.540 0.05 . 1 . . . . 17 G CA . 15514 1 61 . 1 1 17 17 GLY N N 15 109.961 0.05 . 1 . . . . 17 G N . 15514 1 62 . 1 1 18 18 GLY H H 1 7.902 0.005 . 1 . . . . 18 G HN . 15514 1 63 . 1 1 18 18 GLY CA C 13 44.217 0.05 . 1 . . . . 18 G CA . 15514 1 64 . 1 1 18 18 GLY N N 15 108.869 0.05 . 1 . . . . 18 G N . 15514 1 65 . 1 1 19 19 PRO C C 13 177.067 0.05 . 1 . . . . 19 P C . 15514 1 66 . 1 1 20 20 SER H H 1 8.012 0.005 . 1 . . . . 20 S HN . 15514 1 67 . 1 1 20 20 SER C C 13 171.755 0.05 . 1 . . . . 20 S C . 15514 1 68 . 1 1 20 20 SER CA C 13 57.270 0.05 . 1 . . . . 20 S CA . 15514 1 69 . 1 1 20 20 SER CB C 13 65.160 0.05 . 1 . . . . 20 S CB . 15514 1 70 . 1 1 20 20 SER N N 15 114.460 0.05 . 1 . . . . 20 S N . 15514 1 71 . 1 1 21 21 VAL H H 1 8.041 0.005 . 1 . . . . 21 V HN . 15514 1 72 . 1 1 21 21 VAL C C 13 174.028 0.05 . 1 . . . . 21 V C . 15514 1 73 . 1 1 21 21 VAL CA C 13 60.159 0.05 . 1 . . . . 21 V CA . 15514 1 74 . 1 1 21 21 VAL CB C 13 34.016 0.05 . 1 . . . . 21 V CB . 15514 1 75 . 1 1 21 21 VAL N N 15 122.014 0.05 . 1 . . . . 21 V N . 15514 1 76 . 1 1 22 22 PHE H H 1 9.413 0.005 . 1 . . . . 22 F HN . 15514 1 77 . 1 1 22 22 PHE C C 13 172.678 0.05 . 1 . . . . 22 F C . 15514 1 78 . 1 1 22 22 PHE CA C 13 55.667 0.05 . 1 . . . . 22 F CA . 15514 1 79 . 1 1 22 22 PHE CB C 13 42.819 0.05 . 1 . . . . 22 F CB . 15514 1 80 . 1 1 22 22 PHE N N 15 125.736 0.05 . 1 . . . . 22 F N . 15514 1 81 . 1 1 23 23 LEU H H 1 8.215 0.005 . 1 . . . . 23 L HN . 15514 1 82 . 1 1 23 23 LEU C C 13 174.807 0.05 . 1 . . . . 23 L C . 15514 1 83 . 1 1 23 23 LEU CA C 13 52.928 0.05 . 1 . . . . 23 L CA . 15514 1 84 . 1 1 23 23 LEU CB C 13 45.037 0.05 . 1 . . . . 23 L CB . 15514 1 85 . 1 1 23 23 LEU N N 15 124.184 0.05 . 1 . . . . 23 L N . 15514 1 86 . 1 1 24 24 PHE H H 1 9.340 0.005 . 1 . . . . 24 F HN . 15514 1 87 . 1 1 24 24 PHE CA C 13 54.378 0.05 . 1 . . . . 24 F CA . 15514 1 88 . 1 1 24 24 PHE CB C 13 39.535 0.05 . 1 . . . . 24 F CB . 15514 1 89 . 1 1 24 24 PHE N N 15 125.124 0.05 . 1 . . . . 24 F N . 15514 1 90 . 1 1 28 28 PRO C C 13 179.039 0.05 . 1 . . . . 28 P C . 15514 1 91 . 1 1 28 28 PRO CA C 13 65.020 0.05 . 1 . . . . 28 P CA . 15514 1 92 . 1 1 28 28 PRO CB C 13 31.690 0.05 . 1 . . . . 28 P CB . 15514 1 93 . 1 1 29 29 LYS H H 1 8.897 0.005 . 1 . . . . 29 K HN . 15514 1 94 . 1 1 29 29 LYS C C 13 177.235 0.05 . 1 . . . . 29 K C . 15514 1 95 . 1 1 29 29 LYS CA C 13 60.048 0.05 . 1 . . . . 29 K CA . 15514 1 96 . 1 1 29 29 LYS CB C 13 32.092 0.05 . 1 . . . . 29 K CB . 15514 1 97 . 1 1 29 29 LYS N N 15 116.137 0.05 . 1 . . . . 29 K N . 15514 1 98 . 1 1 30 30 ASP H H 1 6.777 0.005 . 1 . . . . 30 D HN . 15514 1 99 . 1 1 30 30 ASP C C 13 176.129 0.05 . 1 . . . . 30 D C . 15514 1 100 . 1 1 30 30 ASP CA C 13 56.031 0.05 . 1 . . . . 30 D CA . 15514 1 101 . 1 1 30 30 ASP CB C 13 39.494 0.05 . 1 . . . . 30 D CB . 15514 1 102 . 1 1 30 30 ASP N N 15 114.152 0.05 . 1 . . . . 30 D N . 15514 1 103 . 1 1 31 31 THR H H 1 7.071 0.005 . 1 . . . . 31 T HN . 15514 1 104 . 1 1 31 31 THR C C 13 175.479 0.05 . 1 . . . . 31 T C . 15514 1 105 . 1 1 31 31 THR CA C 13 63.200 0.05 . 1 . . . . 31 T CA . 15514 1 106 . 1 1 31 31 THR CB C 13 68.894 0.05 . 1 . . . . 31 T CB . 15514 1 107 . 1 1 31 31 THR N N 15 105.413 0.05 . 1 . . . . 31 T N . 15514 1 108 . 1 1 32 32 LEU H H 1 7.115 0.005 . 1 . . . . 32 L HN . 15514 1 109 . 1 1 32 32 LEU C C 13 176.925 0.05 . 1 . . . . 32 L C . 15514 1 110 . 1 1 32 32 LEU CA C 13 54.530 0.05 . 1 . . . . 32 L CA . 15514 1 111 . 1 1 32 32 LEU CB C 13 42.500 0.05 . 1 . . . . 32 L CB . 15514 1 112 . 1 1 32 32 LEU N N 15 117.953 0.05 . 1 . . . . 32 L N . 15514 1 113 . 1 1 33 33 MET H H 1 7.209 0.005 . 1 . . . . 33 M HN . 15514 1 114 . 1 1 33 33 MET C C 13 176.022 0.05 . 1 . . . . 33 M C . 15514 1 115 . 1 1 33 33 MET CA C 13 53.932 0.05 . 1 . . . . 33 M CA . 15514 1 116 . 1 1 33 33 MET CB C 13 33.459 0.05 . 1 . . . . 33 M CB . 15514 1 117 . 1 1 33 33 MET N N 15 119.587 0.05 . 1 . . . . 33 M N . 15514 1 118 . 1 1 34 34 ILE H H 1 8.271 0.005 . 1 . . . . 34 I HN . 15514 1 119 . 1 1 34 34 ILE C C 13 175.070 0.05 . 1 . . . . 34 I C . 15514 1 120 . 1 1 34 34 ILE CA C 13 61.919 0.05 . 1 . . . . 34 I CA . 15514 1 121 . 1 1 34 34 ILE CB C 13 37.076 0.05 . 1 . . . . 34 I CB . 15514 1 122 . 1 1 34 34 ILE N N 15 123.632 0.05 . 1 . . . . 34 I N . 15514 1 123 . 1 1 35 35 SER H H 1 7.596 0.005 . 1 . . . . 35 S HN . 15514 1 124 . 1 1 35 35 SER C C 13 174.667 0.05 . 1 . . . . 35 S C . 15514 1 125 . 1 1 35 35 SER CA C 13 57.998 0.05 . 1 . . . . 35 S CA . 15514 1 126 . 1 1 35 35 SER CB C 13 62.438 0.05 . 1 . . . . 35 S CB . 15514 1 127 . 1 1 35 35 SER N N 15 112.602 0.05 . 1 . . . . 35 S N . 15514 1 128 . 1 1 36 36 ARG H H 1 7.736 0.005 . 1 . . . . 36 R HN . 15514 1 129 . 1 1 36 36 ARG C C 13 175.480 0.05 . 1 . . . . 36 R C . 15514 1 130 . 1 1 36 36 ARG CA C 13 54.682 0.05 . 1 . . . . 36 R CA . 15514 1 131 . 1 1 36 36 ARG CB C 13 31.513 0.05 . 1 . . . . 36 R CB . 15514 1 132 . 1 1 36 36 ARG N N 15 123.331 0.05 . 1 . . . . 36 R N . 15514 1 133 . 1 1 37 37 THR H H 1 8.467 0.005 . 1 . . . . 37 T HN . 15514 1 134 . 1 1 37 37 THR CA C 13 58.661 0.05 . 1 . . . . 37 T CA . 15514 1 135 . 1 1 37 37 THR CB C 13 69.743 0.05 . 1 . . . . 37 T CB . 15514 1 136 . 1 1 37 37 THR N N 15 116.250 0.05 . 1 . . . . 37 T N . 15514 1 137 . 1 1 38 38 PRO C C 13 174.673 0.05 . 1 . . . . 38 P C . 15514 1 138 . 1 1 38 38 PRO CA C 13 60.790 0.05 . 1 . . . . 38 P CA . 15514 1 139 . 1 1 38 38 PRO CB C 13 30.830 0.05 . 1 . . . . 38 P CB . 15514 1 140 . 1 1 39 39 GLU H H 1 7.759 0.005 . 1 . . . . 39 E HN . 15514 1 141 . 1 1 39 39 GLU C C 13 175.342 0.05 . 1 . . . . 39 E C . 15514 1 142 . 1 1 39 39 GLU CA C 13 53.620 0.05 . 1 . . . . 39 E CA . 15514 1 143 . 1 1 39 39 GLU CB C 13 29.470 0.05 . 1 . . . . 39 E CB . 15514 1 144 . 1 1 39 39 GLU N N 15 118.193 0.05 . 1 . . . . 39 E N . 15514 1 145 . 1 1 40 40 VAL H H 1 8.475 0.005 . 1 . . . . 40 V HN . 15514 1 146 . 1 1 40 40 VAL C C 13 174.792 0.05 . 1 . . . . 40 V C . 15514 1 147 . 1 1 40 40 VAL CA C 13 60.290 0.05 . 1 . . . . 40 V CA . 15514 1 148 . 1 1 40 40 VAL CB C 13 32.428 0.05 . 1 . . . . 40 V CB . 15514 1 149 . 1 1 40 40 VAL N N 15 120.892 0.05 . 1 . . . . 40 V N . 15514 1 150 . 1 1 41 41 THR H H 1 7.907 0.005 . 1 . . . . 41 T HN . 15514 1 151 . 1 1 41 41 THR C C 13 172.165 0.05 . 1 . . . . 41 T C . 15514 1 152 . 1 1 41 41 THR CA C 13 61.922 0.05 . 1 . . . . 41 T CA . 15514 1 153 . 1 1 41 41 THR CB C 13 70.211 0.05 . 1 . . . . 41 T CB . 15514 1 154 . 1 1 41 41 THR N N 15 119.859 0.05 . 1 . . . . 41 T N . 15514 1 155 . 1 1 42 42 CYS H H 1 9.958 0.005 . 1 . . . . 42 C HN . 15514 1 156 . 1 1 42 42 CYS C C 13 171.782 0.05 . 1 . . . . 42 C C . 15514 1 157 . 1 1 42 42 CYS CA C 13 53.423 0.05 . 1 . . . . 42 C CA . 15514 1 158 . 1 1 42 42 CYS CB C 13 43.433 0.05 . 1 . . . . 42 C CB . 15514 1 159 . 1 1 42 42 CYS N N 15 130.708 0.05 . 1 . . . . 42 C N . 15514 1 160 . 1 1 43 43 VAL H H 1 9.488 0.005 . 1 . . . . 43 V HN . 15514 1 161 . 1 1 43 43 VAL C C 13 173.749 0.05 . 1 . . . . 43 V C . 15514 1 162 . 1 1 43 43 VAL CA C 13 61.100 0.05 . 1 . . . . 43 V CA . 15514 1 163 . 1 1 43 43 VAL CB C 13 34.373 0.05 . 1 . . . . 43 V CB . 15514 1 164 . 1 1 43 43 VAL N N 15 127.436 0.05 . 1 . . . . 43 V N . 15514 1 165 . 1 1 44 44 VAL H H 1 9.306 0.005 . 1 . . . . 44 V HN . 15514 1 166 . 1 1 44 44 VAL C C 13 174.820 0.05 . 1 . . . . 44 V C . 15514 1 167 . 1 1 44 44 VAL CA C 13 59.511 0.05 . 1 . . . . 44 V CA . 15514 1 168 . 1 1 44 44 VAL CB C 13 32.323 0.05 . 1 . . . . 44 V CB . 15514 1 169 . 1 1 44 44 VAL N N 15 127.672 0.05 . 1 . . . . 44 V N . 15514 1 170 . 1 1 45 45 VAL H H 1 8.859 0.005 . 1 . . . . 45 V HN . 15514 1 171 . 1 1 45 45 VAL N N 15 119.735 0.05 . 1 . . . . 45 V N . 15514 1 172 . 1 1 46 46 ASP C C 13 175.000 0.05 . 1 . . . . 46 D C . 15514 1 173 . 1 1 46 46 ASP CA C 13 50.570 0.05 . 1 . . . . 46 D CA . 15514 1 174 . 1 1 46 46 ASP CB C 13 43.500 0.05 . 1 . . . . 46 D CB . 15514 1 175 . 1 1 47 47 VAL H H 1 8.134 0.005 . 1 . . . . 47 V HN . 15514 1 176 . 1 1 47 47 VAL C C 13 174.343 0.05 . 1 . . . . 47 V C . 15514 1 177 . 1 1 47 47 VAL CA C 13 60.692 0.05 . 1 . . . . 47 V CA . 15514 1 178 . 1 1 47 47 VAL CB C 13 34.018 0.05 . 1 . . . . 47 V CB . 15514 1 179 . 1 1 47 47 VAL N N 15 122.900 0.05 . 1 . . . . 47 V N . 15514 1 180 . 1 1 48 48 SER H H 1 8.305 0.005 . 1 . . . . 48 S HN . 15514 1 181 . 1 1 48 48 SER CA C 13 56.412 0.05 . 1 . . . . 48 S CA . 15514 1 182 . 1 1 48 48 SER CB C 13 64.250 0.05 . 1 . . . . 48 S CB . 15514 1 183 . 1 1 48 48 SER N N 15 118.837 0.05 . 1 . . . . 48 S N . 15514 1 184 . 1 1 49 49 HIS H H 1 8.205 0.005 . 1 . . . . 49 H HN . 15514 1 185 . 1 1 49 49 HIS N N 15 121.706 0.05 . 1 . . . . 49 H N . 15514 1 186 . 1 1 50 50 GLU H H 1 7.728 0.005 . 1 . . . . 50 E HN . 15514 1 187 . 1 1 50 50 GLU N N 15 119.009 0.05 . 1 . . . . 50 E N . 15514 1 188 . 1 1 51 51 ASP H H 1 9.055 0.005 . 1 . . . . 51 D HN . 15514 1 189 . 1 1 51 51 ASP N N 15 125.210 0.05 . 1 . . . . 51 D N . 15514 1 190 . 1 1 54 54 VAL C C 13 174.280 0.05 . 1 . . . . 54 V C . 15514 1 191 . 1 1 54 54 VAL CA C 13 60.600 0.05 . 1 . . . . 54 V CA . 15514 1 192 . 1 1 55 55 LYS H H 1 8.198 0.005 . 1 . . . . 55 K HN . 15514 1 193 . 1 1 55 55 LYS C C 13 175.618 0.05 . 1 . . . . 55 K C . 15514 1 194 . 1 1 55 55 LYS CA C 13 54.208 0.05 . 1 . . . . 55 K CA . 15514 1 195 . 1 1 55 55 LYS CB C 13 33.697 0.05 . 1 . . . . 55 K CB . 15514 1 196 . 1 1 55 55 LYS N N 15 126.821 0.05 . 1 . . . . 55 K N . 15514 1 197 . 1 1 56 56 PHE H H 1 8.681 0.005 . 1 . . . . 56 F HN . 15514 1 198 . 1 1 56 56 PHE C C 13 176.392 0.05 . 1 . . . . 56 F C . 15514 1 199 . 1 1 56 56 PHE CA C 13 56.619 0.05 . 1 . . . . 56 F CA . 15514 1 200 . 1 1 56 56 PHE CB C 13 41.027 0.05 . 1 . . . . 56 F CB . 15514 1 201 . 1 1 56 56 PHE N N 15 122.037 0.05 . 1 . . . . 56 F N . 15514 1 202 . 1 1 57 57 ASN H H 1 9.235 0.005 . 1 . . . . 57 N HN . 15514 1 203 . 1 1 57 57 ASN C C 13 171.885 0.05 . 1 . . . . 57 N C . 15514 1 204 . 1 1 57 57 ASN CA C 13 53.349 0.05 . 1 . . . . 57 N CA . 15514 1 205 . 1 1 57 57 ASN CB C 13 42.719 0.05 . 1 . . . . 57 N CB . 15514 1 206 . 1 1 57 57 ASN N N 15 121.229 0.05 . 1 . . . . 57 N N . 15514 1 207 . 1 1 58 58 TRP H H 1 8.800 0.005 . 1 . . . . 58 W HN . 15514 1 208 . 1 1 58 58 TRP C C 13 175.452 0.05 . 1 . . . . 58 W C . 15514 1 209 . 1 1 58 58 TRP CA C 13 55.456 0.05 . 1 . . . . 58 W CA . 15514 1 210 . 1 1 58 58 TRP CB C 13 33.966 0.05 . 1 . . . . 58 W CB . 15514 1 211 . 1 1 58 58 TRP N N 15 123.305 0.05 . 1 . . . . 58 W N . 15514 1 212 . 1 1 59 59 TYR H H 1 9.207 0.005 . 1 . . . . 59 Y HN . 15514 1 213 . 1 1 59 59 TYR C C 13 174.953 0.05 . 1 . . . . 59 Y C . 15514 1 214 . 1 1 59 59 TYR CA C 13 55.258 0.05 . 1 . . . . 59 Y CA . 15514 1 215 . 1 1 59 59 TYR CB C 13 40.944 0.05 . 1 . . . . 59 Y CB . 15514 1 216 . 1 1 59 59 TYR N N 15 117.253 0.05 . 1 . . . . 59 Y N . 15514 1 217 . 1 1 60 60 VAL H H 1 8.876 0.005 . 1 . . . . 60 V HN . 15514 1 218 . 1 1 60 60 VAL C C 13 177.053 0.05 . 1 . . . . 60 V C . 15514 1 219 . 1 1 60 60 VAL CA C 13 60.755 0.05 . 1 . . . . 60 V CA . 15514 1 220 . 1 1 60 60 VAL CB C 13 32.307 0.05 . 1 . . . . 60 V CB . 15514 1 221 . 1 1 60 60 VAL N N 15 122.270 0.05 . 1 . . . . 60 V N . 15514 1 222 . 1 1 61 61 ASP H H 1 9.895 0.005 . 1 . . . . 61 D HN . 15514 1 223 . 1 1 61 61 ASP C C 13 176.133 0.05 . 1 . . . . 61 D C . 15514 1 224 . 1 1 61 61 ASP CA C 13 55.135 0.05 . 1 . . . . 61 D CA . 15514 1 225 . 1 1 61 61 ASP CB C 13 39.422 0.05 . 1 . . . . 61 D CB . 15514 1 226 . 1 1 61 61 ASP N N 15 132.017 0.05 . 1 . . . . 61 D N . 15514 1 227 . 1 1 62 62 GLY H H 1 9.066 0.005 . 1 . . . . 62 G HN . 15514 1 228 . 1 1 62 62 GLY C C 13 173.739 0.05 . 1 . . . . 62 G C . 15514 1 229 . 1 1 62 62 GLY CA C 13 45.169 0.05 . 1 . . . . 62 G CA . 15514 1 230 . 1 1 62 62 GLY N N 15 102.732 0.05 . 1 . . . . 62 G N . 15514 1 231 . 1 1 63 63 VAL H H 1 7.903 0.005 . 1 . . . . 63 V HN . 15514 1 232 . 1 1 63 63 VAL C C 13 175.599 0.05 . 1 . . . . 63 V C . 15514 1 233 . 1 1 63 63 VAL CA C 13 61.496 0.05 . 1 . . . . 63 V CA . 15514 1 234 . 1 1 63 63 VAL CB C 13 32.285 0.05 . 1 . . . . 63 V CB . 15514 1 235 . 1 1 63 63 VAL N N 15 124.615 0.05 . 1 . . . . 63 V N . 15514 1 236 . 1 1 64 64 GLU H H 1 8.927 0.005 . 1 . . . . 64 E HN . 15514 1 237 . 1 1 64 64 GLU C C 13 176.395 0.05 . 1 . . . . 64 E C . 15514 1 238 . 1 1 64 64 GLU CA C 13 56.696 0.05 . 1 . . . . 64 E CA . 15514 1 239 . 1 1 64 64 GLU CB C 13 28.123 0.05 . 1 . . . . 64 E CB . 15514 1 240 . 1 1 64 64 GLU N N 15 129.884 0.05 . 1 . . . . 64 E N . 15514 1 241 . 1 1 65 65 VAL H H 1 8.210 0.005 . 1 . . . . 65 V HN . 15514 1 242 . 1 1 65 65 VAL C C 13 176.919 0.05 . 1 . . . . 65 V C . 15514 1 243 . 1 1 65 65 VAL CA C 13 59.077 0.05 . 1 . . . . 65 V CA . 15514 1 244 . 1 1 65 65 VAL CB C 13 33.749 0.05 . 1 . . . . 65 V CB . 15514 1 245 . 1 1 65 65 VAL N N 15 119.478 0.05 . 1 . . . . 65 V N . 15514 1 246 . 1 1 66 66 HIS H H 1 8.852 0.005 . 1 . . . . 66 H HN . 15514 1 247 . 1 1 66 66 HIS C C 13 174.814 0.05 . 1 . . . . 66 H C . 15514 1 248 . 1 1 66 66 HIS CA C 13 55.788 0.05 . 1 . . . . 66 H CA . 15514 1 249 . 1 1 66 66 HIS CB C 13 29.566 0.05 . 1 . . . . 66 H CB . 15514 1 250 . 1 1 66 66 HIS N N 15 118.180 0.05 . 1 . . . . 66 H N . 15514 1 251 . 1 1 67 67 ASN H H 1 8.156 0.005 . 1 . . . . 67 N HN . 15514 1 252 . 1 1 67 67 ASN C C 13 174.949 0.05 . 1 . . . . 67 N C . 15514 1 253 . 1 1 67 67 ASN CA C 13 52.673 0.05 . 1 . . . . 67 N CA . 15514 1 254 . 1 1 67 67 ASN CB C 13 36.831 0.05 . 1 . . . . 67 N CB . 15514 1 255 . 1 1 67 67 ASN N N 15 116.137 0.05 . 1 . . . . 67 N N . 15514 1 256 . 1 1 68 68 ALA H H 1 8.067 0.005 . 1 . . . . 68 A HN . 15514 1 257 . 1 1 68 68 ALA CA C 13 52.364 0.05 . 1 . . . . 68 A CA . 15514 1 258 . 1 1 68 68 ALA CB C 13 19.731 0.05 . 1 . . . . 68 A CB . 15514 1 259 . 1 1 68 68 ALA N N 15 124.428 0.05 . 1 . . . . 68 A N . 15514 1 260 . 1 1 69 69 LYS H H 1 8.486 0.005 . 1 . . . . 69 K HN . 15514 1 261 . 1 1 69 69 LYS C C 13 174.416 0.05 . 1 . . . . 69 K C . 15514 1 262 . 1 1 69 69 LYS CA C 13 54.641 0.05 . 1 . . . . 69 K CA . 15514 1 263 . 1 1 69 69 LYS CB C 13 33.827 0.05 . 1 . . . . 69 K CB . 15514 1 264 . 1 1 69 69 LYS N N 15 121.178 0.05 . 1 . . . . 69 K N . 15514 1 265 . 1 1 70 70 THR H H 1 8.682 0.005 . 1 . . . . 70 T HN . 15514 1 266 . 1 1 70 70 THR C C 13 174.813 0.05 . 1 . . . . 70 T C . 15514 1 267 . 1 1 70 70 THR CA C 13 61.830 0.05 . 1 . . . . 70 T CA . 15514 1 268 . 1 1 70 70 THR CB C 13 69.000 0.05 . 1 . . . . 70 T CB . 15514 1 269 . 1 1 70 70 THR N N 15 122.304 0.05 . 1 . . . . 70 T N . 15514 1 270 . 1 1 71 71 LYS H H 1 8.818 0.005 . 1 . . . . 71 K HN . 15514 1 271 . 1 1 71 71 LYS CA C 13 54.556 0.05 . 1 . . . . 71 K CA . 15514 1 272 . 1 1 71 71 LYS CB C 13 30.587 0.05 . 1 . . . . 71 K CB . 15514 1 273 . 1 1 71 71 LYS N N 15 129.554 0.05 . 1 . . . . 71 K N . 15514 1 274 . 1 1 73 73 ARG C C 13 175.008 0.05 . 1 . . . . 73 R C . 15514 1 275 . 1 1 73 73 ARG CA C 13 56.000 0.05 . 1 . . . . 73 R CA . 15514 1 276 . 1 1 73 73 ARG CB C 13 33.958 0.05 . 1 . . . . 73 R CB . 15514 1 277 . 1 1 74 74 GLU H H 1 8.769 0.005 . 1 . . . . 74 E HN . 15514 1 278 . 1 1 74 74 GLU C C 13 176.133 0.05 . 1 . . . . 74 E C . 15514 1 279 . 1 1 74 74 GLU CA C 13 54.170 0.05 . 1 . . . . 74 E CA . 15514 1 280 . 1 1 74 74 GLU CB C 13 31.920 0.05 . 1 . . . . 74 E CB . 15514 1 281 . 1 1 74 74 GLU N N 15 122.343 0.05 . 1 . . . . 74 E N . 15514 1 282 . 1 1 75 75 GLU H H 1 9.132 0.005 . 1 . . . . 75 E HN . 15514 1 283 . 1 1 75 75 GLU C C 13 176.571 0.05 . 1 . . . . 75 E C . 15514 1 284 . 1 1 75 75 GLU CA C 13 56.756 0.05 . 1 . . . . 75 E CA . 15514 1 285 . 1 1 75 75 GLU CB C 13 29.451 0.05 . 1 . . . . 75 E CB . 15514 1 286 . 1 1 75 75 GLU N N 15 127.811 0.05 . 1 . . . . 75 E N . 15514 1 287 . 1 1 76 76 GLN H H 1 8.892 0.005 . 1 . . . . 76 Q HN . 15514 1 288 . 1 1 76 76 GLN C C 13 175.922 0.05 . 1 . . . . 76 Q C . 15514 1 289 . 1 1 76 76 GLN CA C 13 54.062 0.05 . 1 . . . . 76 Q CA . 15514 1 290 . 1 1 76 76 GLN CB C 13 30.618 0.05 . 1 . . . . 76 Q CB . 15514 1 291 . 1 1 76 76 GLN N N 15 124.099 0.05 . 1 . . . . 76 Q N . 15514 1 292 . 1 1 77 77 TYR H H 1 8.439 0.005 . 1 . . . . 77 Y HN . 15514 1 293 . 1 1 77 77 TYR CA C 13 59.060 0.05 . 1 . . . . 77 Y CA . 15514 1 294 . 1 1 77 77 TYR CB C 13 36.980 0.05 . 1 . . . . 77 Y CB . 15514 1 295 . 1 1 77 77 TYR N N 15 120.568 0.05 . 1 . . . . 77 Y N . 15514 1 296 . 1 1 78 78 ASN H H 1 7.454 0.005 . 1 . . . . 78 N HN . 15514 1 297 . 1 1 78 78 ASN C C 13 175.215 0.05 . 1 . . . . 78 N C . 15514 1 298 . 1 1 78 78 ASN CA C 13 51.881 0.05 . 1 . . . . 78 N CA . 15514 1 299 . 1 1 78 78 ASN CB C 13 36.308 0.05 . 1 . . . . 78 N CB . 15514 1 300 . 1 1 78 78 ASN N N 15 118.103 0.05 . 1 . . . . 78 N N . 15514 1 301 . 1 1 79 79 SER H H 1 7.994 0.005 . 1 . . . . 79 S HN . 15514 1 302 . 1 1 79 79 SER C C 13 173.351 0.05 . 1 . . . . 79 S C . 15514 1 303 . 1 1 79 79 SER CA C 13 59.540 0.05 . 1 . . . . 79 S CA . 15514 1 304 . 1 1 79 79 SER CB C 13 61.106 0.05 . 1 . . . . 79 S CB . 15514 1 305 . 1 1 79 79 SER N N 15 111.023 0.05 . 1 . . . . 79 S N . 15514 1 306 . 1 1 80 80 THR H H 1 6.874 0.005 . 1 . . . . 80 T HN . 15514 1 307 . 1 1 80 80 THR N N 15 108.388 0.05 . 1 . . . . 80 T N . 15514 1 308 . 1 1 81 81 TYR H H 1 9.285 0.005 . 1 . . . . 81 Y HN . 15514 1 309 . 1 1 81 81 TYR C C 13 174.800 0.05 . 1 . . . . 81 Y C . 15514 1 310 . 1 1 81 81 TYR N N 15 116.488 0.05 . 1 . . . . 81 Y N . 15514 1 311 . 1 1 82 82 ARG H H 1 9.045 0.005 . 1 . . . . 82 R HN . 15514 1 312 . 1 1 82 82 ARG C C 13 175.464 0.05 . 1 . . . . 82 R C . 15514 1 313 . 1 1 82 82 ARG N N 15 123.762 0.05 . 1 . . . . 82 R N . 15514 1 314 . 1 1 83 83 VAL H H 1 9.350 0.005 . 1 . . . . 83 V HN . 15514 1 315 . 1 1 83 83 VAL C C 13 173.654 0.05 . 1 . . . . 83 V C . 15514 1 316 . 1 1 83 83 VAL N N 15 126.787 0.05 . 1 . . . . 83 V N . 15514 1 317 . 1 1 84 84 VAL H H 1 8.339 0.005 . 1 . . . . 84 V HN . 15514 1 318 . 1 1 84 84 VAL C C 13 173.744 0.05 . 1 . . . . 84 V C . 15514 1 319 . 1 1 84 84 VAL CA C 13 60.752 0.05 . 1 . . . . 84 V CA . 15514 1 320 . 1 1 84 84 VAL CB C 13 34.330 0.05 . 1 . . . . 84 V CB . 15514 1 321 . 1 1 84 84 VAL N N 15 127.533 0.05 . 1 . . . . 84 V N . 15514 1 322 . 1 1 85 85 SER H H 1 8.897 0.005 . 1 . . . . 85 S HN . 15514 1 323 . 1 1 85 85 SER C C 13 173.731 0.05 . 1 . . . . 85 S C . 15514 1 324 . 1 1 85 85 SER CA C 13 55.700 0.05 . 1 . . . . 85 S CA . 15514 1 325 . 1 1 85 85 SER CB C 13 62.189 0.05 . 1 . . . . 85 S CB . 15514 1 326 . 1 1 85 85 SER N N 15 121.169 0.05 . 1 . . . . 85 S N . 15514 1 327 . 1 1 86 86 VAL H H 1 8.639 0.005 . 1 . . . . 86 V HN . 15514 1 328 . 1 1 86 86 VAL C C 13 174.009 0.05 . 1 . . . . 86 V C . 15514 1 329 . 1 1 86 86 VAL CA C 13 60.076 0.05 . 1 . . . . 86 V CA . 15514 1 330 . 1 1 86 86 VAL CB C 13 34.037 0.05 . 1 . . . . 86 V CB . 15514 1 331 . 1 1 86 86 VAL N N 15 126.360 0.05 . 1 . . . . 86 V N . 15514 1 332 . 1 1 87 87 LEU H H 1 8.508 0.005 . 1 . . . . 87 L HN . 15514 1 333 . 1 1 87 87 LEU C C 13 175.479 0.05 . 1 . . . . 87 L C . 15514 1 334 . 1 1 87 87 LEU CA C 13 52.286 0.05 . 1 . . . . 87 L CA . 15514 1 335 . 1 1 87 87 LEU CB C 13 42.282 0.05 . 1 . . . . 87 L CB . 15514 1 336 . 1 1 87 87 LEU N N 15 130.692 0.05 . 1 . . . . 87 L N . 15514 1 337 . 1 1 88 88 THR H H 1 7.932 0.005 . 1 . . . . 88 T HN . 15514 1 338 . 1 1 88 88 THR C C 13 174.014 0.05 . 1 . . . . 88 T C . 15514 1 339 . 1 1 88 88 THR CA C 13 62.965 0.05 . 1 . . . . 88 T CA . 15514 1 340 . 1 1 88 88 THR CB C 13 68.285 0.05 . 1 . . . . 88 T CB . 15514 1 341 . 1 1 88 88 THR N N 15 123.132 0.05 . 1 . . . . 88 T N . 15514 1 342 . 1 1 89 89 VAL H H 1 7.847 0.005 . 1 . . . . 89 V HN . 15514 1 343 . 1 1 89 89 VAL C C 13 174.863 0.05 . 1 . . . . 89 V C . 15514 1 344 . 1 1 89 89 VAL CA C 13 58.463 0.05 . 1 . . . . 89 V CA . 15514 1 345 . 1 1 89 89 VAL CB C 13 33.012 0.05 . 1 . . . . 89 V CB . 15514 1 346 . 1 1 89 89 VAL N N 15 121.198 0.05 . 1 . . . . 89 V N . 15514 1 347 . 1 1 90 90 LEU H H 1 8.441 0.005 . 1 . . . . 90 L HN . 15514 1 348 . 1 1 90 90 LEU C C 13 178.643 0.05 . 1 . . . . 90 L C . 15514 1 349 . 1 1 90 90 LEU CA C 13 54.179 0.05 . 1 . . . . 90 L CA . 15514 1 350 . 1 1 90 90 LEU CB C 13 39.979 0.05 . 1 . . . . 90 L CB . 15514 1 351 . 1 1 90 90 LEU N N 15 122.824 0.05 . 1 . . . . 90 L N . 15514 1 352 . 1 1 91 91 HIS H H 1 8.933 0.005 . 1 . . . . 91 H HN . 15514 1 353 . 1 1 91 91 HIS C C 13 177.185 0.05 . 1 . . . . 91 H C . 15514 1 354 . 1 1 91 91 HIS CA C 13 61.337 0.05 . 1 . . . . 91 H CA . 15514 1 355 . 1 1 91 91 HIS CB C 13 29.326 0.05 . 1 . . . . 91 H CB . 15514 1 356 . 1 1 91 91 HIS N N 15 123.921 0.05 . 1 . . . . 91 H N . 15514 1 357 . 1 1 92 92 GLN H H 1 9.176 0.005 . 1 . . . . 92 Q HN . 15514 1 358 . 1 1 92 92 GLN C C 13 177.720 0.05 . 1 . . . . 92 Q C . 15514 1 359 . 1 1 92 92 GLN CA C 13 57.628 0.05 . 1 . . . . 92 Q CA . 15514 1 360 . 1 1 92 92 GLN CB C 13 27.673 0.05 . 1 . . . . 92 Q CB . 15514 1 361 . 1 1 92 92 GLN N N 15 113.916 0.05 . 1 . . . . 92 Q N . 15514 1 362 . 1 1 93 93 ASP H H 1 6.916 0.005 . 1 . . . . 93 D HN . 15514 1 363 . 1 1 93 93 ASP C C 13 177.586 0.05 . 1 . . . . 93 D C . 15514 1 364 . 1 1 93 93 ASP CA C 13 56.973 0.05 . 1 . . . . 93 D CA . 15514 1 365 . 1 1 93 93 ASP CB C 13 40.063 0.05 . 1 . . . . 93 D CB . 15514 1 366 . 1 1 93 93 ASP N N 15 120.066 0.05 . 1 . . . . 93 D N . 15514 1 367 . 1 1 94 94 TRP H H 1 7.636 0.005 . 1 . . . . 94 W HN . 15514 1 368 . 1 1 94 94 TRP C C 13 180.044 0.05 . 1 . . . . 94 W C . 15514 1 369 . 1 1 94 94 TRP CA C 13 51.417 0.05 . 1 . . . . 94 W CA . 15514 1 370 . 1 1 94 94 TRP CB C 13 28.08 0.05 . 1 . . . . 94 W CB . 15514 1 371 . 1 1 94 94 TRP N N 15 119.176 0.05 . 1 . . . . 94 W N . 15514 1 372 . 1 1 95 95 LEU H H 1 8.208 0.005 . 1 . . . . 95 L HN . 15514 1 373 . 1 1 95 95 LEU C C 13 178.151 0.05 . 1 . . . . 95 L C . 15514 1 374 . 1 1 95 95 LEU CA C 13 57.126 0.05 . 1 . . . . 95 L CA . 15514 1 375 . 1 1 95 95 LEU CB C 13 40.077 0.05 . 1 . . . . 95 L CB . 15514 1 376 . 1 1 95 95 LEU N N 15 116.322 0.05 . 1 . . . . 95 L N . 15514 1 377 . 1 1 96 96 ASN H H 1 7.950 0.005 . 1 . . . . 96 N HN . 15514 1 378 . 1 1 96 96 ASN C C 13 176.504 0.05 . 1 . . . . 96 N C . 15514 1 379 . 1 1 96 96 ASN CA C 13 52.816 0.05 . 1 . . . . 96 N CA . 15514 1 380 . 1 1 96 96 ASN CB C 13 37.709 0.05 . 1 . . . . 96 N CB . 15514 1 381 . 1 1 96 96 ASN N N 15 116.299 0.05 . 1 . . . . 96 N N . 15514 1 382 . 1 1 97 97 GLY H H 1 7.674 0.005 . 1 . . . . 97 G HN . 15514 1 383 . 1 1 97 97 GLY C C 13 175.323 0.05 . 1 . . . . 97 G C . 15514 1 384 . 1 1 97 97 GLY CA C 13 46.433 0.05 . 1 . . . . 97 G CA . 15514 1 385 . 1 1 97 97 GLY N N 15 107.750 0.05 . 1 . . . . 97 G N . 15514 1 386 . 1 1 98 98 LYS H H 1 7.404 0.005 . 1 . . . . 98 K HN . 15514 1 387 . 1 1 98 98 LYS C C 13 174.816 0.05 . 1 . . . . 98 K C . 15514 1 388 . 1 1 98 98 LYS CA C 13 58.021 0.05 . 1 . . . . 98 K CA . 15514 1 389 . 1 1 98 98 LYS CB C 13 31.342 0.05 . 1 . . . . 98 K CB . 15514 1 390 . 1 1 98 98 LYS N N 15 118.977 0.05 . 1 . . . . 98 K N . 15514 1 391 . 1 1 99 99 GLU H H 1 8.453 0.005 . 1 . . . . 99 E HN . 15514 1 392 . 1 1 99 99 GLU C C 13 175.610 0.05 . 1 . . . . 99 E C . 15514 1 393 . 1 1 99 99 GLU CA C 13 55.018 0.05 . 1 . . . . 99 E CA . 15514 1 394 . 1 1 99 99 GLU CB C 13 31.338 0.05 . 1 . . . . 99 E CB . 15514 1 395 . 1 1 99 99 GLU N N 15 119.707 0.05 . 1 . . . . 99 E N . 15514 1 396 . 1 1 100 100 TYR H H 1 9.093 0.005 . 1 . . . . 100 Y HN . 15514 1 397 . 1 1 100 100 TYR C C 13 174.147 0.05 . 1 . . . . 100 Y C . 15514 1 398 . 1 1 100 100 TYR CA C 13 57.821 0.05 . 1 . . . . 100 Y CA . 15514 1 399 . 1 1 100 100 TYR CB C 13 39.889 0.05 . 1 . . . . 100 Y CB . 15514 1 400 . 1 1 100 100 TYR N N 15 127.435 0.05 . 1 . . . . 100 Y N . 15514 1 401 . 1 1 101 101 LYS H H 1 9.388 0.005 . 1 . . . . 101 K HN . 15514 1 402 . 1 1 101 101 LYS C C 13 173.780 0.05 . 1 . . . . 101 K C . 15514 1 403 . 1 1 101 101 LYS CA C 13 53.656 0.05 . 1 . . . . 101 K CA . 15514 1 404 . 1 1 101 101 LYS CB C 13 35.696 0.05 . 1 . . . . 101 K CB . 15514 1 405 . 1 1 101 101 LYS N N 15 124.281 0.05 . 1 . . . . 101 K N . 15514 1 406 . 1 1 102 102 CYS H H 1 8.663 0.005 . 1 . . . . 102 C HN . 15514 1 407 . 1 1 102 102 CYS C C 13 171.216 0.05 . 1 . . . . 102 C C . 15514 1 408 . 1 1 102 102 CYS CA C 13 60.658 0.05 . 1 . . . . 102 C CA . 15514 1 409 . 1 1 102 102 CYS CB C 13 33.961 0.05 . 1 . . . . 102 C CB . 15514 1 410 . 1 1 102 102 CYS N N 15 125.723 0.05 . 1 . . . . 102 C N . 15514 1 411 . 1 1 103 103 LYS H H 1 9.072 0.005 . 1 . . . . 103 K HN . 15514 1 412 . 1 1 103 103 LYS C C 13 174.513 0.05 . 1 . . . . 103 K C . 15514 1 413 . 1 1 103 103 LYS CA C 13 53.750 0.05 . 1 . . . . 103 K CA . 15514 1 414 . 1 1 103 103 LYS CB C 13 33.960 0.05 . 1 . . . . 103 K CB . 15514 1 415 . 1 1 103 103 LYS N N 15 128.890 0.05 . 1 . . . . 103 K N . 15514 1 416 . 1 1 104 104 VAL H H 1 9.175 0.005 . 1 . . . . 104 V HN . 15514 1 417 . 1 1 104 104 VAL C C 13 174.294 0.05 . 1 . . . . 104 V C . 15514 1 418 . 1 1 104 104 VAL CA C 13 61.369 0.05 . 1 . . . . 104 V CA . 15514 1 419 . 1 1 104 104 VAL CB C 13 34.020 0.05 . 1 . . . . 104 V CB . 15514 1 420 . 1 1 104 104 VAL N N 15 128.902 0.05 . 1 . . . . 104 V N . 15514 1 421 . 1 1 105 105 SER H H 1 8.306 0.005 . 1 . . . . 105 S HN . 15514 1 422 . 1 1 105 105 SER C C 13 174.481 0.05 . 1 . . . . 105 S C . 15514 1 423 . 1 1 105 105 SER N N 15 118.582 0.05 . 1 . . . . 105 S N . 15514 1 424 . 1 1 106 106 ASN C C 13 174.481 0.05 . 1 . . . . 106 N C . 15514 1 425 . 1 1 107 107 LYS H H 1 8.679 0.005 . 1 . . . . 107 K HN . 15514 1 426 . 1 1 107 107 LYS C C 13 175.036 0.05 . 1 . . . . 107 K C . 15514 1 427 . 1 1 107 107 LYS N N 15 122.037 0.05 . 1 . . . . 107 K N . 15514 1 428 . 1 1 108 108 ALA H H 1 8.444 0.005 . 1 . . . . 108 A HN . 15514 1 429 . 1 1 108 108 ALA CA C 13 50.169 0.05 . 1 . . . . 108 A CA . 15514 1 430 . 1 1 108 108 ALA CB C 13 17.318 0.05 . 1 . . . . 108 A CB . 15514 1 431 . 1 1 108 108 ALA N N 15 124.628 0.05 . 1 . . . . 108 A N . 15514 1 432 . 1 1 111 111 ALA H H 1 7.235 0.005 . 1 . . . . 111 A HN . 15514 1 433 . 1 1 111 111 ALA CA C 13 49.232 0.05 . 1 . . . . 111 A CA . 15514 1 434 . 1 1 111 111 ALA CB C 13 19.036 0.05 . 1 . . . . 111 A CB . 15514 1 435 . 1 1 111 111 ALA N N 15 118.652 0.05 . 1 . . . . 111 A N . 15514 1 436 . 1 1 112 112 PRO C C 13 176.392 0.05 . 1 . . . . 112 P C . 15514 1 437 . 1 1 112 112 PRO CA C 13 62.570 0.05 . 1 . . . . 112 P CA . 15514 1 438 . 1 1 112 112 PRO CB C 13 31.450 0.05 . 1 . . . . 112 P CB . 15514 1 439 . 1 1 113 113 ILE H H 1 8.355 0.005 . 1 . . . . 113 I HN . 15514 1 440 . 1 1 113 113 ILE C C 13 174.523 0.05 . 1 . . . . 113 I C . 15514 1 441 . 1 1 113 113 ILE CA C 13 59.897 0.05 . 1 . . . . 113 I CA . 15514 1 442 . 1 1 113 113 ILE CB C 13 39.696 0.05 . 1 . . . . 113 I CB . 15514 1 443 . 1 1 113 113 ILE N N 15 122.958 0.05 . 1 . . . . 113 I N . 15514 1 444 . 1 1 114 114 GLU H H 1 8.478 0.005 . 1 . . . . 114 E HN . 15514 1 445 . 1 1 114 114 GLU C C 13 175.506 0.05 . 1 . . . . 114 E C . 15514 1 446 . 1 1 114 114 GLU CA C 13 53.753 0.05 . 1 . . . . 114 E CA . 15514 1 447 . 1 1 114 114 GLU CB C 13 32.337 0.05 . 1 . . . . 114 E CB . 15514 1 448 . 1 1 114 114 GLU N N 15 124.302 0.05 . 1 . . . . 114 E N . 15514 1 449 . 1 1 115 115 LYS H H 1 8.613 0.005 . 1 . . . . 115 K HN . 15514 1 450 . 1 1 115 115 LYS C C 13 174.302 0.05 . 1 . . . . 115 K C . 15514 1 451 . 1 1 115 115 LYS CA C 13 53.497 0.05 . 1 . . . . 115 K CA . 15514 1 452 . 1 1 115 115 LYS CB C 13 35.972 0.05 . 1 . . . . 115 K CB . 15514 1 453 . 1 1 115 115 LYS N N 15 122.746 0.05 . 1 . . . . 115 K N . 15514 1 454 . 1 1 116 116 THR H H 1 8.236 0.005 . 1 . . . . 116 T HN . 15514 1 455 . 1 1 116 116 THR C C 13 174.285 0.05 . 1 . . . . 116 T C . 15514 1 456 . 1 1 116 116 THR CA C 13 59.829 0.05 . 1 . . . . 116 T CA . 15514 1 457 . 1 1 116 116 THR CB C 13 71.321 0.05 . 1 . . . . 116 T CB . 15514 1 458 . 1 1 116 116 THR N N 15 113.699 0.05 . 1 . . . . 116 T N . 15514 1 459 . 1 1 117 117 ILE H H 1 9.359 0.005 . 1 . . . . 117 I HN . 15514 1 460 . 1 1 117 117 ILE C C 13 171.904 0.05 . 1 . . . . 117 I C . 15514 1 461 . 1 1 117 117 ILE CA C 13 59.797 0.05 . 1 . . . . 117 I CA . 15514 1 462 . 1 1 117 117 ILE CB C 13 41.927 0.05 . 1 . . . . 117 I CB . 15514 1 463 . 1 1 117 117 ILE N N 15 122.184 0.05 . 1 . . . . 117 I N . 15514 1 464 . 1 1 118 118 SER H H 1 7.677 0.005 . 1 . . . . 118 S HN . 15514 1 465 . 1 1 118 118 SER C C 13 172.942 0.05 . 1 . . . . 118 S C . 15514 1 466 . 1 1 118 118 SER CA C 13 57.024 0.05 . 1 . . . . 118 S CA . 15514 1 467 . 1 1 118 118 SER CB C 13 65.529 0.05 . 1 . . . . 118 S CB . 15514 1 468 . 1 1 118 118 SER N N 15 115.224 0.05 . 1 . . . . 118 S N . 15514 1 469 . 1 1 119 119 LYS H H 1 8.688 0.005 . 1 . . . . 119 K HN . 15514 1 470 . 1 1 119 119 LYS CA C 13 56.115 0.05 . 1 . . . . 119 K CA . 15514 1 471 . 1 1 119 119 LYS CB C 13 30.601 0.05 . 1 . . . . 119 K CB . 15514 1 472 . 1 1 119 119 LYS N N 15 125.498 0.05 . 1 . . . . 119 K N . 15514 1 473 . 1 1 120 120 ALA H H 1 8.624 0.005 . 1 . . . . 120 A HN . 15514 1 474 . 1 1 120 120 ALA C C 13 177.710 0.05 . 1 . . . . 120 A C . 15514 1 475 . 1 1 120 120 ALA CA C 13 52.936 0.05 . 1 . . . . 120 A CA . 15514 1 476 . 1 1 120 120 ALA CB C 13 18.416 0.05 . 1 . . . . 120 A CB . 15514 1 477 . 1 1 120 120 ALA N N 15 129.602 0.05 . 1 . . . . 120 A N . 15514 1 478 . 1 1 121 121 LYS H H 1 8.400 0.005 . 1 . . . . 121 K HN . 15514 1 479 . 1 1 121 121 LYS C C 13 177.647 0.05 . 1 . . . . 121 K C . 15514 1 480 . 1 1 121 121 LYS CA C 13 55.638 0.05 . 1 . . . . 121 K CA . 15514 1 481 . 1 1 121 121 LYS CB C 13 32.990 0.05 . 1 . . . . 121 K CB . 15514 1 482 . 1 1 121 121 LYS N N 15 121.184 0.05 . 1 . . . . 121 K N . 15514 1 483 . 1 1 122 122 GLY H H 1 8.532 0.005 . 1 . . . . 122 G HN . 15514 1 484 . 1 1 122 122 GLY C C 13 173.111 0.05 . 1 . . . . 122 G C . 15514 1 485 . 1 1 122 122 GLY CA C 13 43.586 0.05 . 1 . . . . 122 G CA . 15514 1 486 . 1 1 122 122 GLY N N 15 111.997 0.05 . 1 . . . . 122 G N . 15514 1 487 . 1 1 123 123 GLN H H 1 8.187 0.005 . 1 . . . . 123 Q HN . 15514 1 488 . 1 1 123 123 GLN CA C 13 53.507 0.05 . 1 . . . . 123 Q CA . 15514 1 489 . 1 1 123 123 GLN CB C 13 28.535 0.05 . 1 . . . . 123 Q CB . 15514 1 490 . 1 1 123 123 GLN N N 15 122.755 0.05 . 1 . . . . 123 Q N . 15514 1 491 . 1 1 124 124 PRO C C 13 176.785 0.05 . 1 . . . . 124 P C . 15514 1 492 . 1 1 124 124 PRO CA C 13 62.820 0.05 . 1 . . . . 124 P CA . 15514 1 493 . 1 1 124 124 PRO CB C 13 32.160 0.05 . 1 . . . . 124 P CB . 15514 1 494 . 1 1 125 125 ARG H H 1 9.417 0.005 . 1 . . . . 125 R HN . 15514 1 495 . 1 1 125 125 ARG C C 13 174.946 0.05 . 1 . . . . 125 R C . 15514 1 496 . 1 1 125 125 ARG CA C 13 54.804 0.05 . 1 . . . . 125 R CA . 15514 1 497 . 1 1 125 125 ARG CB C 13 33.637 0.05 . 1 . . . . 125 R CB . 15514 1 498 . 1 1 125 125 ARG N N 15 122.913 0.05 . 1 . . . . 125 R N . 15514 1 499 . 1 1 126 126 GLU H H 1 8.588 0.005 . 1 . . . . 126 E HN . 15514 1 500 . 1 1 126 126 GLU CA C 13 53.482 0.05 . 1 . . . . 126 E CA . 15514 1 501 . 1 1 126 126 GLU CB C 13 33.620 0.05 . 1 . . . . 126 E CB . 15514 1 502 . 1 1 126 126 GLU N N 15 124.363 0.05 . 1 . . . . 126 E N . 15514 1 503 . 1 1 127 127 PRO C C 13 175.505 0.05 . 1 . . . . 127 P C . 15514 1 504 . 1 1 127 127 PRO CA C 13 61.970 0.05 . 1 . . . . 127 P CA . 15514 1 505 . 1 1 127 127 PRO CB C 13 31.320 0.05 . 1 . . . . 127 P CB . 15514 1 506 . 1 1 128 128 GLN H H 1 8.978 0.005 . 1 . . . . 128 Q HN . 15514 1 507 . 1 1 128 128 GLN C C 13 174.157 0.05 . 1 . . . . 128 Q C . 15514 1 508 . 1 1 128 128 GLN CA C 13 53.816 0.05 . 1 . . . . 128 Q CA . 15514 1 509 . 1 1 128 128 GLN CB C 13 29.467 0.05 . 1 . . . . 128 Q CB . 15514 1 510 . 1 1 128 128 GLN N N 15 121.050 0.05 . 1 . . . . 128 Q N . 15514 1 511 . 1 1 129 129 VAL H H 1 7.810 0.005 . 1 . . . . 129 V HN . 15514 1 512 . 1 1 129 129 VAL C C 13 173.367 0.05 . 1 . . . . 129 V C . 15514 1 513 . 1 1 129 129 VAL CA C 13 60.762 0.05 . 1 . . . . 129 V CA . 15514 1 514 . 1 1 129 129 VAL CB C 13 32.411 0.05 . 1 . . . . 129 V CB . 15514 1 515 . 1 1 129 129 VAL N N 15 122.684 0.05 . 1 . . . . 129 V N . 15514 1 516 . 1 1 130 130 TYR H H 1 9.319 0.005 . 1 . . . . 130 Y HN . 15514 1 517 . 1 1 130 130 TYR C C 13 174.682 0.05 . 1 . . . . 130 Y C . 15514 1 518 . 1 1 130 130 TYR CA C 13 55.042 0.05 . 1 . . . . 130 Y CA . 15514 1 519 . 1 1 130 130 TYR CB C 13 40.916 0.05 . 1 . . . . 130 Y CB . 15514 1 520 . 1 1 130 130 TYR N N 15 125.292 0.05 . 1 . . . . 130 Y N . 15514 1 521 . 1 1 131 131 THR H H 1 8.626 0.005 . 1 . . . . 131 T HN . 15514 1 522 . 1 1 131 131 THR C C 13 174.222 0.05 . 1 . . . . 131 T C . 15514 1 523 . 1 1 131 131 THR CA C 13 58.222 0.05 . 1 . . . . 131 T CA . 15514 1 524 . 1 1 131 131 THR CB C 13 69.162 0.05 . 1 . . . . 131 T CB . 15514 1 525 . 1 1 131 131 THR N N 15 112.709 0.05 . 1 . . . . 131 T N . 15514 1 526 . 1 1 132 132 LEU H H 1 9.437 0.005 . 1 . . . . 132 L HN . 15514 1 527 . 1 1 132 132 LEU CA C 13 50.886 0.05 . 1 . . . . 132 L CA . 15514 1 528 . 1 1 132 132 LEU CB C 13 42.059 0.05 . 1 . . . . 132 L CB . 15514 1 529 . 1 1 132 132 LEU N N 15 124.579 0.05 . 1 . . . . 132 L N . 15514 1 530 . 1 1 134 134 PRO C C 13 177.583 0.05 . 1 . . . . 134 P C . 15514 1 531 . 1 1 134 134 PRO CA C 13 61.770 0.05 . 1 . . . . 134 P CA . 15514 1 532 . 1 1 134 134 PRO CB C 13 30.100 0.05 . 1 . . . . 134 P CB . 15514 1 533 . 1 1 135 135 SER H H 1 8.885 0.005 . 1 . . . . 135 S HN . 15514 1 534 . 1 1 135 135 SER C C 13 176.953 0.05 . 1 . . . . 135 S C . 15514 1 535 . 1 1 135 135 SER CA C 13 56.998 0.05 . 1 . . . . 135 S CA . 15514 1 536 . 1 1 135 135 SER CB C 13 62.872 0.05 . 1 . . . . 135 S CB . 15514 1 537 . 1 1 135 135 SER N N 15 118.302 0.05 . 1 . . . . 135 S N . 15514 1 538 . 1 1 136 136 ARG H H 1 9.029 0.005 . 1 . . . . 136 R HN . 15514 1 539 . 1 1 136 136 ARG C C 13 179.018 0.05 . 1 . . . . 136 R C . 15514 1 540 . 1 1 136 136 ARG CA C 13 58.951 0.05 . 1 . . . . 136 R CA . 15514 1 541 . 1 1 136 136 ARG CB C 13 28.853 0.05 . 1 . . . . 136 R CB . 15514 1 542 . 1 1 136 136 ARG N N 15 128.822 0.05 . 1 . . . . 136 R N . 15514 1 543 . 1 1 137 137 ASP H H 1 8.337 0.005 . 1 . . . . 137 D HN . 15514 1 544 . 1 1 137 137 ASP C C 13 177.221 0.05 . 1 . . . . 137 D C . 15514 1 545 . 1 1 137 137 ASP CA C 13 56.048 0.05 . 1 . . . . 137 D CA . 15514 1 546 . 1 1 137 137 ASP CB C 13 40.237 0.05 . 1 . . . . 137 D CB . 15514 1 547 . 1 1 137 137 ASP N N 15 118.130 0.05 . 1 . . . . 137 D N . 15514 1 548 . 1 1 138 138 GLU H H 1 7.656 0.005 . 1 . . . . 138 E HN . 15514 1 549 . 1 1 138 138 GLU C C 13 177.051 0.05 . 1 . . . . 138 E C . 15514 1 550 . 1 1 138 138 GLU CA C 13 55.573 0.05 . 1 . . . . 138 E CA . 15514 1 551 . 1 1 138 138 GLU CB C 13 30.115 0.05 . 1 . . . . 138 E CB . 15514 1 552 . 1 1 138 138 GLU N N 15 122.350 0.05 . 1 . . . . 138 E N . 15514 1 553 . 1 1 139 139 LEU H H 1 7.148 0.005 . 1 . . . . 139 L HN . 15514 1 554 . 1 1 139 139 LEU C C 13 176.201 0.05 . 1 . . . . 139 L C . 15514 1 555 . 1 1 139 139 LEU CA C 13 56.050 0.05 . 1 . . . . 139 L CA . 15514 1 556 . 1 1 139 139 LEU CB C 13 39.902 0.05 . 1 . . . . 139 L CB . 15514 1 557 . 1 1 139 139 LEU N N 15 114.720 0.05 . 1 . . . . 139 L N . 15514 1 558 . 1 1 140 140 THR H H 1 6.952 0.005 . 1 . . . . 140 T HN . 15514 1 559 . 1 1 140 140 THR C C 13 175.445 0.05 . 1 . . . . 140 T C . 15514 1 560 . 1 1 140 140 THR CA C 13 61.961 0.05 . 1 . . . . 140 T CA . 15514 1 561 . 1 1 140 140 THR CB C 13 68.416 0.05 . 1 . . . . 140 T CB . 15514 1 562 . 1 1 140 140 THR N N 15 107.254 0.05 . 1 . . . . 140 T N . 15514 1 563 . 1 1 141 141 LYS H H 1 7.855 0.005 . 1 . . . . 141 K HN . 15514 1 564 . 1 1 141 141 LYS C C 13 176.060 0.05 . 1 . . . . 141 K C . 15514 1 565 . 1 1 141 141 LYS CA C 13 53.730 0.05 . 1 . . . . 141 K CA . 15514 1 566 . 1 1 141 141 LYS CB C 13 31.902 0.05 . 1 . . . . 141 K CB . 15514 1 567 . 1 1 141 141 LYS N N 15 122.865 0.05 . 1 . . . . 141 K N . 15514 1 568 . 1 1 142 142 ASN H H 1 8.387 0.005 . 1 . . . . 142 N HN . 15514 1 569 . 1 1 142 142 ASN C C 13 176.061 0.05 . 1 . . . . 142 N C . 15514 1 570 . 1 1 142 142 ASN CA C 13 54.282 0.05 . 1 . . . . 142 N CA . 15514 1 571 . 1 1 142 142 ASN CB C 13 38.027 0.05 . 1 . . . . 142 N CB . 15514 1 572 . 1 1 142 142 ASN N N 15 114.598 0.05 . 1 . . . . 142 N N . 15514 1 573 . 1 1 143 143 GLN H H 1 7.397 0.005 . 1 . . . . 143 Q HN . 15514 1 574 . 1 1 143 143 GLN C C 13 173.884 0.05 . 1 . . . . 143 Q C . 15514 1 575 . 1 1 143 143 GLN CA C 13 54.340 0.05 . 1 . . . . 143 Q CA . 15514 1 576 . 1 1 143 143 GLN CB C 13 31.134 0.05 . 1 . . . . 143 Q CB . 15514 1 577 . 1 1 143 143 GLN N N 15 118.491 0.05 . 1 . . . . 143 Q N . 15514 1 578 . 1 1 144 144 VAL H H 1 8.628 0.005 . 1 . . . . 144 V HN . 15514 1 579 . 1 1 144 144 VAL C C 13 173.333 0.05 . 1 . . . . 144 V C . 15514 1 580 . 1 1 144 144 VAL CA C 13 57.591 0.05 . 1 . . . . 144 V CA . 15514 1 581 . 1 1 144 144 VAL CB C 13 33.822 0.05 . 1 . . . . 144 V CB . 15514 1 582 . 1 1 144 144 VAL N N 15 111.286 0.05 . 1 . . . . 144 V N . 15514 1 583 . 1 1 145 145 SER H H 1 8.803 0.005 . 1 . . . . 145 S HN . 15514 1 584 . 1 1 145 145 SER C C 13 172.771 0.05 . 1 . . . . 145 S C . 15514 1 585 . 1 1 145 145 SER CA C 13 57.135 0.05 . 1 . . . . 145 S CA . 15514 1 586 . 1 1 145 145 SER CB C 13 61.201 0.05 . 1 . . . . 145 S CB . 15514 1 587 . 1 1 145 145 SER N N 15 115.066 0.05 . 1 . . . . 145 S N . 15514 1 588 . 1 1 146 146 LEU H H 1 9.273 0.005 . 1 . . . . 146 L HN . 15514 1 589 . 1 1 146 146 LEU C C 13 175.336 0.05 . 1 . . . . 146 L C . 15514 1 590 . 1 1 146 146 LEU CA C 13 53.175 0.05 . 1 . . . . 146 L CA . 15514 1 591 . 1 1 146 146 LEU CB C 13 40.205 0.05 . 1 . . . . 146 L CB . 15514 1 592 . 1 1 146 146 LEU N N 15 129.302 0.05 . 1 . . . . 146 L N . 15514 1 593 . 1 1 147 147 THR H H 1 7.906 0.005 . 1 . . . . 147 T HN . 15514 1 594 . 1 1 147 147 THR C C 13 172.578 0.05 . 1 . . . . 147 T C . 15514 1 595 . 1 1 147 147 THR CA C 13 62.441 0.05 . 1 . . . . 147 T CA . 15514 1 596 . 1 1 147 147 THR CB C 13 70.222 0.05 . 1 . . . . 147 T CB . 15514 1 597 . 1 1 147 147 THR N N 15 118.250 0.05 . 1 . . . . 147 T N . 15514 1 598 . 1 1 148 148 CYS H H 1 9.742 0.005 . 1 . . . . 148 C HN . 15514 1 599 . 1 1 148 148 CYS CA C 13 53.409 0.05 . 1 . . . . 148 C CA . 15514 1 600 . 1 1 148 148 CYS CB C 13 41.728 0.05 . 1 . . . . 148 C CB . 15514 1 601 . 1 1 148 148 CYS N N 15 129.213 0.05 . 1 . . . . 148 C N . 15514 1 602 . 1 1 149 149 LEU H H 1 9.397 0.005 . 1 . . . . 149 L HN . 15514 1 603 . 1 1 149 149 LEU C C 13 172.489 0.05 . 1 . . . . 149 L C . 15514 1 604 . 1 1 149 149 LEU CA C 13 53.365 0.05 . 1 . . . . 149 L CA . 15514 1 605 . 1 1 149 149 LEU CB C 13 41.431 0.05 . 1 . . . . 149 L CB . 15514 1 606 . 1 1 149 149 LEU N N 15 131.760 0.05 . 1 . . . . 149 L N . 15514 1 607 . 1 1 150 150 VAL H H 1 8.257 0.005 . 1 . . . . 150 V HN . 15514 1 608 . 1 1 150 150 VAL C C 13 175.099 0.05 . 1 . . . . 150 V C . 15514 1 609 . 1 1 150 150 VAL CA C 13 59.929 0.05 . 1 . . . . 150 V CA . 15514 1 610 . 1 1 150 150 VAL CB C 13 31.348 0.05 . 1 . . . . 150 V CB . 15514 1 611 . 1 1 150 150 VAL N N 15 127.570 0.05 . 1 . . . . 150 V N . 15514 1 612 . 1 1 151 151 LYS H H 1 9.252 0.005 . 1 . . . . 151 K HN . 15514 1 613 . 1 1 151 151 LYS C C 13 174.818 0.05 . 1 . . . . 151 K C . 15514 1 614 . 1 1 151 151 LYS CA C 13 54.092 0.05 . 1 . . . . 151 K CA . 15514 1 615 . 1 1 151 151 LYS CB C 13 35.394 0.05 . 1 . . . . 151 K CB . 15514 1 616 . 1 1 151 151 LYS N N 15 122.768 0.05 . 1 . . . . 151 K N . 15514 1 617 . 1 1 152 152 GLY H H 1 8.252 0.005 . 1 . . . . 152 G HN . 15514 1 618 . 1 1 152 152 GLY C C 13 174.287 0.05 . 1 . . . . 152 G C . 15514 1 619 . 1 1 152 152 GLY CA C 13 45.345 0.05 . 1 . . . . 152 G CA . 15514 1 620 . 1 1 152 152 GLY N N 15 111.447 0.05 . 1 . . . . 152 G N . 15514 1 621 . 1 1 153 153 PHE H H 1 7.751 0.005 . 1 . . . . 153 F HN . 15514 1 622 . 1 1 153 153 PHE C C 13 174.618 0.05 . 1 . . . . 153 F C . 15514 1 623 . 1 1 153 153 PHE CA C 13 53.898 0.05 . 1 . . . . 153 F CA . 15514 1 624 . 1 1 153 153 PHE CB C 13 40.976 0.05 . 1 . . . . 153 F CB . 15514 1 625 . 1 1 153 153 PHE N N 15 111.860 0.05 . 1 . . . . 153 F N . 15514 1 626 . 1 1 154 154 TYR H H 1 8.276 0.005 . 1 . . . . 154 Y HN . 15514 1 627 . 1 1 154 154 TYR CA C 13 58.694 0.05 . 1 . . . . 154 Y CA . 15514 1 628 . 1 1 154 154 TYR CB C 13 41.984 0.05 . 1 . . . . 154 Y CB . 15514 1 629 . 1 1 154 154 TYR N N 15 120.309 0.05 . 1 . . . . 154 Y N . 15514 1 630 . 1 1 155 155 PRO C C 13 176.037 0.05 . 1 . . . . 155 P C . 15514 1 631 . 1 1 155 155 PRO CA C 13 62.240 0.05 . 1 . . . . 155 P CA . 15514 1 632 . 1 1 155 155 PRO CB C 13 33.830 0.05 . 1 . . . . 155 P CB . 15514 1 633 . 1 1 156 156 SER H H 1 8.301 0.005 . 1 . . . . 156 S HN . 15514 1 634 . 1 1 156 156 SER C C 13 173.044 0.05 . 1 . . . . 156 S C . 15514 1 635 . 1 1 156 156 SER CA C 13 59.763 0.05 . 1 . . . . 156 S CA . 15514 1 636 . 1 1 156 156 SER CB C 13 60.864 0.05 . 1 . . . . 156 S CB . 15514 1 637 . 1 1 156 156 SER N N 15 112.486 0.05 . 1 . . . . 156 S N . 15514 1 638 . 1 1 157 157 ASP H H 1 6.753 0.005 . 1 . . . . 157 D HN . 15514 1 639 . 1 1 157 157 ASP C C 13 173.076 0.05 . 1 . . . . 157 D C . 15514 1 640 . 1 1 157 157 ASP CA C 13 54.440 0.05 . 1 . . . . 157 D CA . 15514 1 641 . 1 1 157 157 ASP CB C 13 40.427 0.05 . 1 . . . . 157 D CB . 15514 1 642 . 1 1 157 157 ASP N N 15 120.875 0.05 . 1 . . . . 157 D N . 15514 1 643 . 1 1 158 158 ILE H H 1 7.943 0.005 . 1 . . . . 158 I HN . 15514 1 644 . 1 1 158 158 ILE CA C 13 59.997 0.05 . 1 . . . . 158 I CA . 15514 1 645 . 1 1 158 158 ILE CB C 13 40.431 0.05 . 1 . . . . 158 I CB . 15514 1 646 . 1 1 158 158 ILE N N 15 124.184 0.05 . 1 . . . . 158 I N . 15514 1 647 . 1 1 159 159 ALA H H 1 8.097 0.005 . 1 . . . . 159 A HN . 15514 1 648 . 1 1 159 159 ALA C C 13 173.731 0.05 . 1 . . . . 159 A C . 15514 1 649 . 1 1 159 159 ALA CA C 13 50.569 0.05 . 1 . . . . 159 A CA . 15514 1 650 . 1 1 159 159 ALA CB C 13 21.403 0.05 . 1 . . . . 159 A CB . 15514 1 651 . 1 1 159 159 ALA N N 15 126.686 0.05 . 1 . . . . 159 A N . 15514 1 652 . 1 1 160 160 VAL H H 1 8.128 0.005 . 1 . . . . 160 V HN . 15514 1 653 . 1 1 160 160 VAL C C 13 174.690 0.05 . 1 . . . . 160 V C . 15514 1 654 . 1 1 160 160 VAL CA C 13 60.629 0.05 . 1 . . . . 160 V CA . 15514 1 655 . 1 1 160 160 VAL CB C 13 33.935 0.05 . 1 . . . . 160 V CB . 15514 1 656 . 1 1 160 160 VAL N N 15 122.469 0.05 . 1 . . . . 160 V N . 15514 1 657 . 1 1 161 161 GLU H H 1 8.826 0.005 . 1 . . . . 161 E HN . 15514 1 658 . 1 1 161 161 GLU C C 13 172.815 0.05 . 1 . . . . 161 E C . 15514 1 659 . 1 1 161 161 GLU CA C 13 54.236 0.05 . 1 . . . . 161 E CA . 15514 1 660 . 1 1 161 161 GLU CB C 13 33.248 0.05 . 1 . . . . 161 E CB . 15514 1 661 . 1 1 161 161 GLU N N 15 126.174 0.05 . 1 . . . . 161 E N . 15514 1 662 . 1 1 162 162 TRP H H 1 7.651 0.005 . 1 . . . . 162 W HN . 15514 1 663 . 1 1 162 162 TRP C C 13 176.523 0.05 . 1 . . . . 162 W C . 15514 1 664 . 1 1 162 162 TRP CA C 13 55.285 0.05 . 1 . . . . 162 W CA . 15514 1 665 . 1 1 162 162 TRP CB C 13 33.321 0.05 . 1 . . . . 162 W CB . 15514 1 666 . 1 1 162 162 TRP N N 15 121.275 0.05 . 1 . . . . 162 W N . 15514 1 667 . 1 1 163 163 GLU H H 1 9.074 0.005 . 1 . . . . 163 E HN . 15514 1 668 . 1 1 163 163 GLU C C 13 175.060 0.05 . 1 . . . . 163 E C . 15514 1 669 . 1 1 163 163 GLU CA C 13 54.775 0.05 . 1 . . . . 163 E CA . 15514 1 670 . 1 1 163 163 GLU CB C 13 33.653 0.05 . 1 . . . . 163 E CB . 15514 1 671 . 1 1 163 163 GLU N N 15 118.614 0.05 . 1 . . . . 163 E N . 15514 1 672 . 1 1 164 164 SER H H 1 8.889 0.005 . 1 . . . . 164 S HN . 15514 1 673 . 1 1 164 164 SER C C 13 175.568 0.05 . 1 . . . . 164 S C . 15514 1 674 . 1 1 164 164 SER CA C 13 57.628 0.05 . 1 . . . . 164 S CA . 15514 1 675 . 1 1 164 164 SER CB C 13 63.996 0.05 . 1 . . . . 164 S CB . 15514 1 676 . 1 1 164 164 SER N N 15 113.376 0.05 . 1 . . . . 164 S N . 15514 1 677 . 1 1 165 165 ASN H H 1 9.453 0.005 . 1 . . . . 165 N HN . 15514 1 678 . 1 1 165 165 ASN C C 13 175.360 0.05 . 1 . . . . 165 N C . 15514 1 679 . 1 1 165 165 ASN CA C 13 53.834 0.05 . 1 . . . . 165 N CA . 15514 1 680 . 1 1 165 165 ASN CB C 13 36.922 0.05 . 1 . . . . 165 N CB . 15514 1 681 . 1 1 165 165 ASN N N 15 127.151 0.05 . 1 . . . . 165 N N . 15514 1 682 . 1 1 166 166 GLY H H 1 8.722 0.005 . 1 . . . . 166 G HN . 15514 1 683 . 1 1 166 166 GLY C C 13 173.752 0.05 . 1 . . . . 166 G C . 15514 1 684 . 1 1 166 166 GLY CA C 13 45.063 0.05 . 1 . . . . 166 G CA . 15514 1 685 . 1 1 166 166 GLY N N 15 104.168 0.05 . 1 . . . . 166 G N . 15514 1 686 . 1 1 167 167 GLN H H 1 7.900 0.005 . 1 . . . . 167 Q HN . 15514 1 687 . 1 1 167 167 GLN CA C 13 51.784 0.05 . 1 . . . . 167 Q CA . 15514 1 688 . 1 1 167 167 GLN CB C 13 29.238 0.05 . 1 . . . . 167 Q CB . 15514 1 689 . 1 1 167 167 GLN N N 15 120.352 0.05 . 1 . . . . 167 Q N . 15514 1 690 . 1 1 168 168 PRO C C 13 177.321 0.05 . 1 . . . . 168 P C . 15514 1 691 . 1 1 168 168 PRO CA C 13 63.380 0.05 . 1 . . . . 168 P CA . 15514 1 692 . 1 1 169 169 GLU H H 1 8.062 0.005 . 1 . . . . 169 E HN . 15514 1 693 . 1 1 169 169 GLU CA C 13 54.573 0.05 . 1 . . . . 169 E CA . 15514 1 694 . 1 1 169 169 GLU CB C 13 31.233 0.05 . 1 . . . . 169 E CB . 15514 1 695 . 1 1 169 169 GLU N N 15 123.913 0.05 . 1 . . . . 169 E N . 15514 1 696 . 1 1 171 171 ASN C C 13 173.196 0.05 . 1 . . . . 171 N C . 15514 1 697 . 1 1 172 172 TYR H H 1 7.549 0.005 . 1 . . . . 172 Y HN . 15514 1 698 . 1 1 172 172 TYR C C 13 174.028 0.05 . 1 . . . . 172 Y C . 15514 1 699 . 1 1 172 172 TYR CA C 13 54.222 0.05 . 1 . . . . 172 Y CA . 15514 1 700 . 1 1 172 172 TYR CB C 13 42.397 0.05 . 1 . . . . 172 Y CB . 15514 1 701 . 1 1 172 172 TYR N N 15 115.911 0.05 . 1 . . . . 172 Y N . 15514 1 702 . 1 1 173 173 LYS H H 1 8.415 0.005 . 1 . . . . 173 K HN . 15514 1 703 . 1 1 173 173 LYS C C 13 174.932 0.05 . 1 . . . . 173 K C . 15514 1 704 . 1 1 173 173 LYS CA C 13 53.824 0.05 . 1 . . . . 173 K CA . 15514 1 705 . 1 1 173 173 LYS CB C 13 37.996 0.05 . 1 . . . . 173 K CB . 15514 1 706 . 1 1 173 173 LYS N N 15 119.446 0.05 . 1 . . . . 173 K N . 15514 1 707 . 1 1 174 174 THR H H 1 9.141 0.005 . 1 . . . . 174 T HN . 15514 1 708 . 1 1 174 174 THR C C 13 174.282 0.05 . 1 . . . . 174 T C . 15514 1 709 . 1 1 174 174 THR CA C 13 60.445 0.05 . 1 . . . . 174 T CA . 15514 1 710 . 1 1 174 174 THR CB C 13 70.182 0.05 . 1 . . . . 174 T CB . 15514 1 711 . 1 1 174 174 THR N N 15 121.589 0.05 . 1 . . . . 174 T N . 15514 1 712 . 1 1 175 175 THR H H 1 9.544 0.005 . 1 . . . . 175 T HN . 15514 1 713 . 1 1 175 175 THR CA C 13 61.257 0.05 . 1 . . . . 175 T CA . 15514 1 714 . 1 1 175 175 THR CB C 13 68.026 0.05 . 1 . . . . 175 T CB . 15514 1 715 . 1 1 175 175 THR N N 15 118.677 0.05 . 1 . . . . 175 T N . 15514 1 716 . 1 1 177 177 PRO C C 13 176.685 0.05 . 1 . . . . 177 P C . 15514 1 717 . 1 1 177 177 PRO CA C 13 61.980 0.05 . 1 . . . . 177 P CA . 15514 1 718 . 1 1 177 177 PRO CB C 13 31.100 0.05 . 1 . . . . 177 P CB . 15514 1 719 . 1 1 178 178 VAL H H 1 9.269 0.005 . 1 . . . . 178 V HN . 15514 1 720 . 1 1 178 178 VAL C C 13 174.291 0.05 . 1 . . . . 178 V C . 15514 1 721 . 1 1 178 178 VAL CA C 13 60.357 0.05 . 1 . . . . 178 V CA . 15514 1 722 . 1 1 178 178 VAL CB C 13 32.853 0.05 . 1 . . . . 178 V CB . 15514 1 723 . 1 1 178 178 VAL N N 15 127.094 0.05 . 1 . . . . 178 V N . 15514 1 724 . 1 1 179 179 LEU H H 1 8.361 0.005 . 1 . . . . 179 L HN . 15514 1 725 . 1 1 179 179 LEU C C 13 175.435 0.05 . 1 . . . . 179 L C . 15514 1 726 . 1 1 179 179 LEU CA C 13 55.380 0.05 . 1 . . . . 179 L CA . 15514 1 727 . 1 1 179 179 LEU CB C 13 41.297 0.05 . 1 . . . . 179 L CB . 15514 1 728 . 1 1 179 179 LEU N N 15 128.322 0.05 . 1 . . . . 179 L N . 15514 1 729 . 1 1 180 180 ASP H H 1 9.542 0.005 . 1 . . . . 180 D HN . 15514 1 730 . 1 1 180 180 ASP C C 13 178.351 0.05 . 1 . . . . 180 D C . 15514 1 731 . 1 1 180 180 ASP CA C 13 51.036 0.05 . 1 . . . . 180 D CA . 15514 1 732 . 1 1 180 180 ASP CB C 13 43.011 0.05 . 1 . . . . 180 D CB . 15514 1 733 . 1 1 180 180 ASP N N 15 129.330 0.05 . 1 . . . . 180 D N . 15514 1 734 . 1 1 181 181 SER H H 1 9.775 0.005 . 1 . . . . 181 S HN . 15514 1 735 . 1 1 181 181 SER C C 13 174.311 0.05 . 1 . . . . 181 S C . 15514 1 736 . 1 1 181 181 SER CA C 13 59.985 0.05 . 1 . . . . 181 S CA . 15514 1 737 . 1 1 181 181 SER CB C 13 62.480 0.05 . 1 . . . . 181 S CB . 15514 1 738 . 1 1 181 181 SER N N 15 116.798 0.05 . 1 . . . . 181 S N . 15514 1 739 . 1 1 182 182 ASP H H 1 7.543 0.005 . 1 . . . . 182 D HN . 15514 1 740 . 1 1 182 182 ASP C C 13 177.574 0.05 . 1 . . . . 182 D C . 15514 1 741 . 1 1 182 182 ASP CA C 13 52.154 0.05 . 1 . . . . 182 D CA . 15514 1 742 . 1 1 182 182 ASP CB C 13 39.795 0.05 . 1 . . . . 182 D CB . 15514 1 743 . 1 1 182 182 ASP N N 15 118.031 0.05 . 1 . . . . 182 D N . 15514 1 744 . 1 1 183 183 GLY H H 1 7.639 0.005 . 1 . . . . 183 G HN . 15514 1 745 . 1 1 183 183 GLY C C 13 172.865 0.05 . 1 . . . . 183 G C . 15514 1 746 . 1 1 183 183 GLY CA C 13 45.189 0.05 . 1 . . . . 183 G CA . 15514 1 747 . 1 1 183 183 GLY N N 15 108.215 0.05 . 1 . . . . 183 G N . 15514 1 748 . 1 1 184 184 SER H H 1 7.503 0.005 . 1 . . . . 184 S HN . 15514 1 749 . 1 1 184 184 SER C C 13 170.549 0.05 . 1 . . . . 184 S C . 15514 1 750 . 1 1 184 184 SER CA C 13 56.641 0.05 . 1 . . . . 184 S CA . 15514 1 751 . 1 1 184 184 SER CB C 13 64.268 0.05 . 1 . . . . 184 S CB . 15514 1 752 . 1 1 184 184 SER N N 15 115.427 0.05 . 1 . . . . 184 S N . 15514 1 753 . 1 1 185 185 PHE H H 1 8.701 0.005 . 1 . . . . 185 F HN . 15514 1 754 . 1 1 185 185 PHE C C 13 174.343 0.05 . 1 . . . . 185 F C . 15514 1 755 . 1 1 185 185 PHE CA C 13 56.932 0.05 . 1 . . . . 185 F CA . 15514 1 756 . 1 1 185 185 PHE CB C 13 42.100 0.05 . 1 . . . . 185 F CB . 15514 1 757 . 1 1 185 185 PHE N N 15 115.903 0.05 . 1 . . . . 185 F N . 15514 1 758 . 1 1 186 186 PHE H H 1 8.678 0.005 . 1 . . . . 186 F HN . 15514 1 759 . 1 1 186 186 PHE C C 13 172.498 0.05 . 1 . . . . 186 F C . 15514 1 760 . 1 1 186 186 PHE CA C 13 55.310 0.05 . 1 . . . . 186 F CA . 15514 1 761 . 1 1 186 186 PHE CB C 13 42.308 0.05 . 1 . . . . 186 F CB . 15514 1 762 . 1 1 186 186 PHE N N 15 112.001 0.05 . 1 . . . . 186 F N . 15514 1 763 . 1 1 187 187 LEU H H 1 9.540 0.005 . 1 . . . . 187 L HN . 15514 1 764 . 1 1 187 187 LEU C C 13 174.394 0.05 . 1 . . . . 187 L C . 15514 1 765 . 1 1 187 187 LEU CA C 13 54.419 0.05 . 1 . . . . 187 L CA . 15514 1 766 . 1 1 187 187 LEU CB C 13 43.806 0.05 . 1 . . . . 187 L CB . 15514 1 767 . 1 1 187 187 LEU N N 15 115.031 0.05 . 1 . . . . 187 L N . 15514 1 768 . 1 1 188 188 TYR H H 1 8.019 0.005 . 1 . . . . 188 Y HN . 15514 1 769 . 1 1 188 188 TYR C C 13 175.088 0.05 . 1 . . . . 188 Y C . 15514 1 770 . 1 1 188 188 TYR CA C 13 56.334 0.05 . 1 . . . . 188 Y CA . 15514 1 771 . 1 1 188 188 TYR CB C 13 44.440 0.05 . 1 . . . . 188 Y CB . 15514 1 772 . 1 1 188 188 TYR N N 15 115.899 0.05 . 1 . . . . 188 Y N . 15514 1 773 . 1 1 189 189 SER H H 1 9.343 0.005 . 1 . . . . 189 S HN . 15514 1 774 . 1 1 189 189 SER C C 13 173.237 0.05 . 1 . . . . 189 S C . 15514 1 775 . 1 1 189 189 SER CA C 13 56.641 0.05 . 1 . . . . 189 S CA . 15514 1 776 . 1 1 189 189 SER CB C 13 64.445 0.05 . 1 . . . . 189 S CB . 15514 1 777 . 1 1 189 189 SER N N 15 114.951 0.05 . 1 . . . . 189 S N . 15514 1 778 . 1 1 190 190 LYS H H 1 9.508 0.005 . 1 . . . . 190 K HN . 15514 1 779 . 1 1 190 190 LYS C C 13 175.193 0.05 . 1 . . . . 190 K C . 15514 1 780 . 1 1 190 190 LYS CA C 13 54.897 0.05 . 1 . . . . 190 K CA . 15514 1 781 . 1 1 190 190 LYS CB C 13 33.363 0.05 . 1 . . . . 190 K CB . 15514 1 782 . 1 1 190 190 LYS N N 15 131.772 0.05 . 1 . . . . 190 K N . 15514 1 783 . 1 1 191 191 LEU H H 1 9.224 0.005 . 1 . . . . 191 L HN . 15514 1 784 . 1 1 191 191 LEU C C 13 174.693 0.05 . 1 . . . . 191 L C . 15514 1 785 . 1 1 191 191 LEU CA C 13 53.126 0.05 . 1 . . . . 191 L CA . 15514 1 786 . 1 1 191 191 LEU CB C 13 39.600 0.05 . 1 . . . . 191 L CB . 15514 1 787 . 1 1 191 191 LEU N N 15 134.990 0.05 . 1 . . . . 191 L N . 15514 1 788 . 1 1 192 192 THR H H 1 8.192 0.005 . 1 . . . . 192 T HN . 15514 1 789 . 1 1 192 192 THR C C 13 173.751 0.05 . 1 . . . . 192 T C . 15514 1 790 . 1 1 192 192 THR CA C 13 61.719 0.05 . 1 . . . . 192 T CA . 15514 1 791 . 1 1 192 192 THR CB C 13 68.469 0.05 . 1 . . . . 192 T CB . 15514 1 792 . 1 1 192 192 THR N N 15 125.749 0.05 . 1 . . . . 192 T N . 15514 1 793 . 1 1 193 193 VAL H H 1 8.365 0.005 . 1 . . . . 193 V HN . 15514 1 794 . 1 1 193 193 VAL C C 13 174.650 0.05 . 1 . . . . 193 V C . 15514 1 795 . 1 1 193 193 VAL CA C 13 57.680 0.05 . 1 . . . . 193 V CA . 15514 1 796 . 1 1 193 193 VAL CB C 13 35.435 0.05 . 1 . . . . 193 V CB . 15514 1 797 . 1 1 193 193 VAL N N 15 119.934 0.05 . 1 . . . . 193 V N . 15514 1 798 . 1 1 194 194 ASP H H 1 8.470 0.005 . 1 . . . . 194 D HN . 15514 1 799 . 1 1 194 194 ASP C C 13 177.436 0.05 . 1 . . . . 194 D C . 15514 1 800 . 1 1 194 194 ASP CA C 13 55.063 0.05 . 1 . . . . 194 D CA . 15514 1 801 . 1 1 194 194 ASP CB C 13 40.581 0.05 . 1 . . . . 194 D CB . 15514 1 802 . 1 1 194 194 ASP N N 15 123.657 0.05 . 1 . . . . 194 D N . 15514 1 803 . 1 1 195 195 LYS H H 1 8.664 0.005 . 1 . . . . 195 K HN . 15514 1 804 . 1 1 195 195 LYS C C 13 178.080 0.05 . 1 . . . . 195 K C . 15514 1 805 . 1 1 195 195 LYS CA C 13 60.200 0.05 . 1 . . . . 195 K CA . 15514 1 806 . 1 1 195 195 LYS CB C 13 30.510 0.05 . 1 . . . . 195 K CB . 15514 1 807 . 1 1 195 195 LYS N N 15 127.313 0.05 . 1 . . . . 195 K N . 15514 1 808 . 1 1 196 196 SER H H 1 8.769 0.005 . 1 . . . . 196 S HN . 15514 1 809 . 1 1 196 196 SER C C 13 176.337 0.05 . 1 . . . . 196 S C . 15514 1 810 . 1 1 196 196 SER CA C 13 60.767 0.05 . 1 . . . . 196 S CA . 15514 1 811 . 1 1 196 196 SER N N 15 113.926 0.05 . 1 . . . . 196 S N . 15514 1 812 . 1 1 197 197 ARG H H 1 7.340 0.005 . 1 . . . . 197 R HN . 15514 1 813 . 1 1 197 197 ARG C C 13 179.280 0.05 . 1 . . . . 197 R C . 15514 1 814 . 1 1 197 197 ARG CA C 13 58.750 0.05 . 1 . . . . 197 R CA . 15514 1 815 . 1 1 197 197 ARG CB C 13 30.425 0.05 . 1 . . . . 197 R CB . 15514 1 816 . 1 1 197 197 ARG N N 15 120.767 0.05 . 1 . . . . 197 R N . 15514 1 817 . 1 1 198 198 TRP H H 1 9.016 0.005 . 1 . . . . 198 W HN . 15514 1 818 . 1 1 198 198 TRP C C 13 177.719 0.05 . 1 . . . . 198 W C . 15514 1 819 . 1 1 198 198 TRP CA C 13 58.829 0.05 . 1 . . . . 198 W CA . 15514 1 820 . 1 1 198 198 TRP CB C 13 30.425 0.05 . 1 . . . . 198 W CB . 15514 1 821 . 1 1 198 198 TRP N N 15 124.836 0.05 . 1 . . . . 198 W N . 15514 1 822 . 1 1 199 199 GLN H H 1 8.542 0.005 . 1 . . . . 199 Q HN . 15514 1 823 . 1 1 199 199 GLN C C 13 176.782 0.05 . 1 . . . . 199 Q C . 15514 1 824 . 1 1 199 199 GLN CA C 13 57.611 0.05 . 1 . . . . 199 Q CA . 15514 1 825 . 1 1 199 199 GLN CB C 13 28.316 0.05 . 1 . . . . 199 Q CB . 15514 1 826 . 1 1 199 199 GLN N N 15 115.700 0.05 . 1 . . . . 199 Q N . 15514 1 827 . 1 1 200 200 GLN H H 1 7.640 0.005 . 1 . . . . 200 Q HN . 15514 1 828 . 1 1 200 200 GLN C C 13 176.851 0.05 . 1 . . . . 200 Q C . 15514 1 829 . 1 1 200 200 GLN CA C 13 55.971 0.05 . 1 . . . . 200 Q CA . 15514 1 830 . 1 1 200 200 GLN CB C 13 28.154 0.05 . 1 . . . . 200 Q CB . 15514 1 831 . 1 1 200 200 GLN N N 15 115.958 0.05 . 1 . . . . 200 Q N . 15514 1 832 . 1 1 201 201 GLY H H 1 7.477 0.005 . 1 . . . . 201 G HN . 15514 1 833 . 1 1 201 201 GLY C C 13 174.946 0.05 . 1 . . . . 201 G C . 15514 1 834 . 1 1 201 201 GLY CA C 13 45.712 0.05 . 1 . . . . 201 G CA . 15514 1 835 . 1 1 201 201 GLY N N 15 105.413 0.05 . 1 . . . . 201 G N . 15514 1 836 . 1 1 202 202 ASN H H 1 6.778 0.005 . 1 . . . . 202 N HN . 15514 1 837 . 1 1 202 202 ASN C C 13 173.086 0.05 . 1 . . . . 202 N C . 15514 1 838 . 1 1 202 202 ASN CA C 13 54.130 0.05 . 1 . . . . 202 N CA . 15514 1 839 . 1 1 202 202 ASN CB C 13 39.369 0.05 . 1 . . . . 202 N CB . 15514 1 840 . 1 1 202 202 ASN N N 15 116.562 0.05 . 1 . . . . 202 N N . 15514 1 841 . 1 1 203 203 VAL H H 1 8.321 0.005 . 1 . . . . 203 V HN . 15514 1 842 . 1 1 203 203 VAL C C 13 175.745 0.05 . 1 . . . . 203 V C . 15514 1 843 . 1 1 203 203 VAL CA C 13 61.596 0.05 . 1 . . . . 203 V CA . 15514 1 844 . 1 1 203 203 VAL CB C 13 31.680 0.05 . 1 . . . . 203 V CB . 15514 1 845 . 1 1 203 203 VAL N N 15 121.569 0.05 . 1 . . . . 203 V N . 15514 1 846 . 1 1 204 204 PHE H H 1 9.041 0.005 . 1 . . . . 204 F HN . 15514 1 847 . 1 1 204 204 PHE C C 13 174.942 0.05 . 1 . . . . 204 F C . 15514 1 848 . 1 1 204 204 PHE CA C 13 56.880 0.05 . 1 . . . . 204 F CA . 15514 1 849 . 1 1 204 204 PHE CB C 13 41.932 0.05 . 1 . . . . 204 F CB . 15514 1 850 . 1 1 204 204 PHE N N 15 129.207 0.05 . 1 . . . . 204 F N . 15514 1 851 . 1 1 205 205 SER H H 1 9.471 0.005 . 1 . . . . 205 S HN . 15514 1 852 . 1 1 205 205 SER C C 13 171.370 0.05 . 1 . . . . 205 S C . 15514 1 853 . 1 1 205 205 SER CA C 13 56.996 0.05 . 1 . . . . 205 S CA . 15514 1 854 . 1 1 205 205 SER CB C 13 64.344 0.05 . 1 . . . . 205 S CB . 15514 1 855 . 1 1 205 205 SER N N 15 115.639 0.05 . 1 . . . . 205 S N . 15514 1 856 . 1 1 206 206 CYS H H 1 8.664 0.005 . 1 . . . . 206 C HN . 15514 1 857 . 1 1 206 206 CYS C C 13 172.189 0.05 . 1 . . . . 206 C C . 15514 1 858 . 1 1 206 206 CYS CA C 13 52.283 0.05 . 1 . . . . 206 C CA . 15514 1 859 . 1 1 206 206 CYS CB C 13 40.495 0.05 . 1 . . . . 206 C CB . 15514 1 860 . 1 1 206 206 CYS N N 15 126.356 0.05 . 1 . . . . 206 C N . 15514 1 861 . 1 1 207 207 SER H H 1 8.783 0.005 . 1 . . . . 207 S HN . 15514 1 862 . 1 1 207 207 SER C C 13 172.300 0.05 . 1 . . . . 207 S C . 15514 1 863 . 1 1 207 207 SER CA C 13 56.516 0.05 . 1 . . . . 207 S CA . 15514 1 864 . 1 1 207 207 SER CB C 13 63.671 0.05 . 1 . . . . 207 S CB . 15514 1 865 . 1 1 207 207 SER N N 15 124.071 0.05 . 1 . . . . 207 S N . 15514 1 866 . 1 1 208 208 VAL H H 1 8.357 0.005 . 1 . . . . 208 V HN . 15514 1 867 . 1 1 208 208 VAL C C 13 173.627 0.05 . 1 . . . . 208 V C . 15514 1 868 . 1 1 208 208 VAL CA C 13 60.001 0.05 . 1 . . . . 208 V CA . 15514 1 869 . 1 1 208 208 VAL CB C 13 34.537 0.05 . 1 . . . . 208 V CB . 15514 1 870 . 1 1 208 208 VAL N N 15 123.875 0.05 . 1 . . . . 208 V N . 15514 1 871 . 1 1 209 209 MET H H 1 8.694 0.005 . 1 . . . . 209 M HN . 15514 1 872 . 1 1 209 209 MET C C 13 173.621 0.05 . 1 . . . . 209 M C . 15514 1 873 . 1 1 209 209 MET CA C 13 53.936 0.05 . 1 . . . . 209 M CA . 15514 1 874 . 1 1 209 209 MET CB C 13 35.962 0.05 . 1 . . . . 209 M CB . 15514 1 875 . 1 1 209 209 MET N N 15 123.531 0.05 . 1 . . . . 209 M N . 15514 1 876 . 1 1 210 210 HIS H H 1 6.978 0.005 . 1 . . . . 210 H HN . 15514 1 877 . 1 1 210 210 HIS C C 13 175.179 0.05 . 1 . . . . 210 H C . 15514 1 878 . 1 1 210 210 HIS CA C 13 57.335 0.05 . 1 . . . . 210 H CA . 15514 1 879 . 1 1 210 210 HIS CB C 13 35.845 0.05 . 1 . . . . 210 H CB . 15514 1 880 . 1 1 210 210 HIS N N 15 120.389 0.05 . 1 . . . . 210 H N . 15514 1 881 . 1 1 211 211 GLU H H 1 8.621 0.005 . 1 . . . . 211 E HN . 15514 1 882 . 1 1 211 211 GLU C C 13 175.184 0.05 . 1 . . . . 211 E C . 15514 1 883 . 1 1 211 211 GLU CA C 13 58.475 0.05 . 1 . . . . 211 E CA . 15514 1 884 . 1 1 211 211 GLU CB C 13 29.165 0.05 . 1 . . . . 211 E CB . 15514 1 885 . 1 1 211 211 GLU N N 15 127.143 0.05 . 1 . . . . 211 E N . 15514 1 886 . 1 1 212 212 ALA H H 1 10.465 0.005 . 1 . . . . 212 A HN . 15514 1 887 . 1 1 212 212 ALA C C 13 177.980 0.05 . 1 . . . . 212 A C . 15514 1 888 . 1 1 212 212 ALA CA C 13 51.739 0.05 . 1 . . . . 212 A CA . 15514 1 889 . 1 1 212 212 ALA CB C 13 18.150 0.05 . 1 . . . . 212 A CB . 15514 1 890 . 1 1 212 212 ALA N N 15 124.577 0.05 . 1 . . . . 212 A N . 15514 1 891 . 1 1 213 213 LEU H H 1 7.146 0.005 . 1 . . . . 213 L HN . 15514 1 892 . 1 1 213 213 LEU C C 13 179.038 0.05 . 1 . . . . 213 L C . 15514 1 893 . 1 1 213 213 LEU CA C 13 53.381 0.05 . 1 . . . . 213 L CA . 15514 1 894 . 1 1 213 213 LEU CB C 13 43.480 0.05 . 1 . . . . 213 L CB . 15514 1 895 . 1 1 213 213 LEU N N 15 116.957 0.05 . 1 . . . . 213 L N . 15514 1 896 . 1 1 214 214 HIS H H 1 9.370 0.005 . 1 . . . . 214 H HN . 15514 1 897 . 1 1 214 214 HIS CA C 13 57.253 0.05 . 1 . . . . 214 H CA . 15514 1 898 . 1 1 214 214 HIS CB C 13 27.244 0.05 . 1 . . . . 214 H CB . 15514 1 899 . 1 1 214 214 HIS N N 15 126.029 0.05 . 1 . . . . 214 H N . 15514 1 900 . 1 1 215 215 ASN H H 1 9.067 0.005 . 1 . . . . 215 N HN . 15514 1 901 . 1 1 215 215 ASN C C 13 173.376 0.05 . 1 . . . . 215 N C . 15514 1 902 . 1 1 215 215 ASN CA C 13 54.380 0.05 . 1 . . . . 215 N CA . 15514 1 903 . 1 1 215 215 ASN N N 15 122.583 0.05 . 1 . . . . 215 N N . 15514 1 904 . 1 1 216 216 HIS H H 1 8.443 0.005 . 1 . . . . 216 H HN . 15514 1 905 . 1 1 216 216 HIS C C 13 173.226 0.05 . 1 . . . . 216 H C . 15514 1 906 . 1 1 216 216 HIS CA C 13 54.401 0.05 . 1 . . . . 216 H CA . 15514 1 907 . 1 1 216 216 HIS CB C 13 27.072 0.05 . 1 . . . . 216 H CB . 15514 1 908 . 1 1 216 216 HIS N N 15 108.935 0.05 . 1 . . . . 216 H N . 15514 1 909 . 1 1 217 217 TYR H H 1 7.306 0.005 . 1 . . . . 217 Y HN . 15514 1 910 . 1 1 217 217 TYR C C 13 174.026 0.05 . 1 . . . . 217 Y C . 15514 1 911 . 1 1 217 217 TYR CA C 13 57.842 0.05 . 1 . . . . 217 Y CA . 15514 1 912 . 1 1 217 217 TYR CB C 13 42.228 0.05 . 1 . . . . 217 Y CB . 15514 1 913 . 1 1 217 217 TYR N N 15 119.149 0.05 . 1 . . . . 217 Y N . 15514 1 914 . 1 1 218 218 THR H H 1 8.247 0.005 . 1 . . . . 218 T HN . 15514 1 915 . 1 1 218 218 THR C C 13 169.405 0.05 . 1 . . . . 218 T C . 15514 1 916 . 1 1 218 218 THR CA C 13 60.681 0.05 . 1 . . . . 218 T CA . 15514 1 917 . 1 1 218 218 THR CB C 13 68.993 0.05 . 1 . . . . 218 T CB . 15514 1 918 . 1 1 218 218 THR N N 15 122.264 0.05 . 1 . . . . 218 T N . 15514 1 919 . 1 1 219 219 GLN H H 1 7.638 0.005 . 1 . . . . 219 Q HN . 15514 1 920 . 1 1 219 219 GLN C C 13 174.283 0.05 . 1 . . . . 219 Q C . 15514 1 921 . 1 1 219 219 GLN CA C 13 53.665 0.05 . 1 . . . . 219 Q CA . 15514 1 922 . 1 1 219 219 GLN CB C 13 32.180 0.05 . 1 . . . . 219 Q CB . 15514 1 923 . 1 1 219 219 GLN N N 15 120.537 0.05 . 1 . . . . 219 Q N . 15514 1 924 . 1 1 220 220 LYS H H 1 8.443 0.005 . 1 . . . . 220 K HN . 15514 1 925 . 1 1 220 220 LYS C C 13 175.163 0.05 . 1 . . . . 220 K C . 15514 1 926 . 1 1 220 220 LYS CA C 13 53.390 0.05 . 1 . . . . 220 K CA . 15514 1 927 . 1 1 220 220 LYS CB C 13 35.790 0.05 . 1 . . . . 220 K CB . 15514 1 928 . 1 1 220 220 LYS N N 15 123.831 0.05 . 1 . . . . 220 K N . 15514 1 929 . 1 1 221 221 SER H H 1 8.636 0.005 . 1 . . . . 221 S HN . 15514 1 930 . 1 1 221 221 SER C C 13 174.026 0.05 . 1 . . . . 221 S C . 15514 1 931 . 1 1 221 221 SER CA C 13 57.693 0.05 . 1 . . . . 221 S CA . 15514 1 932 . 1 1 221 221 SER CB C 13 65.399 0.05 . 1 . . . . 221 S CB . 15514 1 933 . 1 1 221 221 SER N N 15 118.944 0.05 . 1 . . . . 221 S N . 15514 1 934 . 1 1 222 222 LEU H H 1 9.457 0.005 . 1 . . . . 222 L HN . 15514 1 935 . 1 1 222 222 LEU C C 13 173.892 0.05 . 1 . . . . 222 L C . 15514 1 936 . 1 1 222 222 LEU CA C 13 55.212 0.05 . 1 . . . . 222 L CA . 15514 1 937 . 1 1 222 222 LEU CB C 13 44.339 0.05 . 1 . . . . 222 L CB . 15514 1 938 . 1 1 222 222 LEU N N 15 124.868 0.05 . 1 . . . . 222 L N . 15514 1 939 . 1 1 223 223 SER H H 1 8.278 0.005 . 1 . . . . 223 S HN . 15514 1 940 . 1 1 223 223 SER C C 13 173.100 0.05 . 1 . . . . 223 S C . 15514 1 941 . 1 1 223 223 SER CA C 13 57.450 0.05 . 1 . . . . 223 S CA . 15514 1 942 . 1 1 223 223 SER CB C 13 65.593 0.05 . 1 . . . . 223 S CB . 15514 1 943 . 1 1 223 223 SER N N 15 116.180 0.05 . 1 . . . . 223 S N . 15514 1 944 . 1 1 224 224 LEU H H 1 8.700 0.005 . 1 . . . . 224 L HN . 15514 1 945 . 1 1 224 224 LEU C C 13 177.067 0.05 . 1 . . . . 224 L C . 15514 1 946 . 1 1 224 224 LEU CA C 13 55.268 0.05 . 1 . . . . 224 L CA . 15514 1 947 . 1 1 224 224 LEU CB C 13 40.916 0.05 . 1 . . . . 224 L CB . 15514 1 948 . 1 1 224 224 LEU N N 15 125.147 0.05 . 1 . . . . 224 L N . 15514 1 949 . 1 1 225 225 SER H H 1 8.189 0.005 . 1 . . . . 225 S HN . 15514 1 950 . 1 1 225 225 SER CA C 13 59.077 0.05 . 1 . . . . 225 S CA . 15514 1 951 . 1 1 225 225 SER CB C 13 59.077 0.05 . 1 . . . . 225 S CB . 15514 1 952 . 1 1 225 225 SER N N 15 119.676 0.05 . 1 . . . . 225 S N . 15514 1 953 . 1 1 226 226 PRO C C 13 177.586 0.05 . 1 . . . . 226 P C . 15514 1 954 . 1 1 226 226 PRO CA C 13 63.070 0.05 . 1 . . . . 226 P CA . 15514 1 955 . 1 1 226 226 PRO CB C 13 31.360 0.05 . 1 . . . . 226 P CB . 15514 1 956 . 1 1 227 227 GLY H H 1 8.342 0.005 . 1 . . . . 227 G HN . 15514 1 957 . 1 1 227 227 GLY C C 13 173.226 0.05 . 1 . . . . 227 G C . 15514 1 958 . 1 1 227 227 GLY CA C 13 44.955 0.05 . 1 . . . . 227 G CA . 15514 1 959 . 1 1 227 227 GLY N N 15 110.166 0.05 . 1 . . . . 227 G N . 15514 1 960 . 1 1 228 228 LYS H H 1 7.740 0.005 . 1 . . . . 228 K HN . 15514 1 961 . 1 1 228 228 LYS CA C 13 56.988 0.05 . 1 . . . . 228 K CA . 15514 1 962 . 1 1 228 228 LYS CB C 13 32.787 0.05 . 1 . . . . 228 K CB . 15514 1 963 . 1 1 228 228 LYS N N 15 126.121 0.05 . 1 . . . . 228 K N . 15514 1 stop_ save_