data_15633 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15633 _Entry.Title ; Structure of a locked SDF1 dimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-01-23 _Entry.Accession_date 2008-01-23 _Entry.Last_release_date 2008-11-06 _Entry.Original_release_date 2008-11-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _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 B. Volkman B. F. . 15633 2 C. Veldkamp C. T. . 15633 3 F. Peterson F. C. . 15633 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 15633 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID chemokine . 15633 CXCL12 . 15633 'locked dimer' . 15633 SDF1-alpha . 15633 'stromal cell derived factor-1' . 15633 sulfotyrosine . 15633 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15633 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 554 15633 '15N chemical shifts' 132 15633 '1H chemical shifts' 933 15633 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 1 . . 2008-11-06 2008-01-23 original author . 15633 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K01 'BMRB Entry Tracking System' 15633 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15633 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18799424 _Citation.Full_citation . _Citation.Title 'Structural basis of CXCR4 sulfotyrosine recognition by the chemokine SDF-1/CXCL12' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Signal.' _Citation.Journal_name_full 'Science Signaling' _Citation.Journal_volume 1 _Citation.Journal_issue 37 _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 ra4 _Citation.Page_last ra4 _Citation.Year 2008 _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 Christopher Veldkamp . T. . 15633 1 2 Christoph Seibert . . . 15633 1 3 Francis Peterson . C. . 15633 1 4 Noberto 'De la Cruz' . B. . 15633 1 5 John Haugner . C. III 15633 1 6 Harihar Basnet . . . 15633 1 7 Thomas Sakmar . P. . 15633 1 8 Brian Volkman . F. . 15633 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15633 _Assembly.ID 1 _Assembly.Name CXCL12/SDF1-alpha _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 CXCL12/SDF1-alpha_1 1 $CXCL12_SDF1-alpha A . yes native no no . . . 15633 1 2 CXCL12/SDF1-alpha_2 1 $CXCL12_SDF1-alpha B . yes native no no . . . 15633 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 disulphide 1 . 1 CXCL12/SDF1-alpha_1 1 CYS 11 11 SG . 1 CXCL12/SDF1-alpha_1 1 CYS 36 36 SG . CXCL12/SDF1-alpha_1 11 cys SG . CXCL12/SDF1-alpha_1 36 cys SG 15633 1 2 disulphide 1 . 2 CXCL12/SDF1-alpha_1 1 CYS 11 11 SG . 2 CXCL12/SDF1-alpha_1 1 CYS 36 36 SG . CXCL12/SDF1-alpha_1 11 cys SG . CXCL12/SDF1-alpha_1 36 cys SG 15633 1 3 disulphide 1 . 1 CXCL12/SDF1-alpha_1 1 CYS 13 13 SG . 1 CXCL12/SDF1-alpha_1 1 CYS 52 52 SG . CXCL12/SDF1-alpha_1 13 cys SG . CXCL12/SDF1-alpha_1 52 cys SG 15633 1 4 disulphide 1 . 2 CXCL12/SDF1-alpha_1 1 CYS 13 13 SG . 2 CXCL12/SDF1-alpha_1 1 CYS 52 52 SG . CXCL12/SDF1-alpha_1 13 cys SG . CXCL12/SDF1-alpha_1 52 cys SG 15633 1 5 disulphide 1 . 1 CXCL12/SDF1-alpha_1 1 CYS 38 38 SG . 2 CXCL12/SDF1-alpha_1 1 CYS 67 67 SG . CXCL12/SDF1-alpha_1 38 cys SG . CXCL12/SDF1-alpha_1 67 cys SG 15633 1 6 disulphide 1 . 1 CXCL12/SDF1-alpha_1 1 CYS 67 67 SG . 2 CXCL12/SDF1-alpha_1 1 CYS 38 38 SG . CXCL12/SDF1-alpha_1 67 cys SG . CXCL12/SDF1-alpha_1 38 cys SG 15633 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CXCL12_SDF1-alpha _Entity.Sf_category entity _Entity.Sf_framecode CXCL12_SDF1-alpha _Entity.Entry_ID 15633 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CXCL12/SDF1-alpha _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GMKPVSLSYRCPCRFFESHV ARANVKHLKILNTPNCACQI VARLKNNNRQVCIDPKLKWI QEYLEKCLNK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The GM dipeptide on the front is a cleavage artifact and should be labeled as residues -1 and 0.' _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 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment CXCL12 _Entity.Mutation L36C,A65C _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 15635 . CXCL12/SDF1-alpha . . . . . 100.00 70 100.00 100.00 9.47e-43 . . . . 15633 1 2 no BMRB 15636 . CXCL12/SDF1-alpha . . . . . 100.00 70 100.00 100.00 9.47e-43 . . . . 15633 1 3 no BMRB 15637 . CXCL12/SDF1-alpha . . . . . 100.00 70 100.00 100.00 9.47e-43 . . . . 15633 1 4 no BMRB 16142 . CXCL12/SDF1-alpha . . . . . 100.00 70 97.14 97.14 5.42e-41 . . . . 15633 1 5 no BMRB 16143 . CXCL12/SDF1-alpha . . . . . 100.00 70 97.14 97.14 5.42e-41 . . . . 15633 1 6 no PDB 1QG7 . "Stroma Cell-derived Factor-1alpha (sdf-1alpha)" . . . . . 95.71 67 97.01 97.01 2.47e-38 . . . . 15633 1 7 no PDB 1SDF . "Solution Structure Of Stromal Cell-Derived Factor-1 (Sdf-1), Nmr, Minimized Average Structure" . . . . . 95.71 67 97.01 97.01 2.47e-38 . . . . 15633 1 8 no PDB 2J7Z . "Crystal Structure Of Recombinant Human Stromal Cell-Derived Factor-1alpha" . . . . . 97.14 68 97.06 97.06 6.79e-39 . . . . 15633 1 9 no PDB 2K01 . "Structure Of A Locked Sdf1 Dimer" . . . . . 100.00 70 100.00 100.00 9.47e-43 . . . . 15633 1 10 no PDB 2K03 . "Structure Of Sdf1 In Complex With The Cxcr4 N-Terminus Containing A Sulfotyrosine At Postition 21" . . . . . 100.00 70 100.00 100.00 9.47e-43 . . . . 15633 1 11 no PDB 2K04 . "Structure Of Sdf1 In Complex With The Cxcr4 N-Terminus Containing No Sulfotyrosines" . . . . . 100.00 70 100.00 100.00 9.47e-43 . . . . 15633 1 12 no PDB 2K05 . "Structure Of Sdf1 In Complex With The Cxcr4 N-Terminus Containing Sulfotyrosines At Postitions 7, 12 And 21" . . . . . 100.00 70 100.00 100.00 9.47e-43 . . . . 15633 1 13 no PDB 2KEC . "Structure Of Sdf-1CXCL12" . . . . . 100.00 70 97.14 97.14 5.42e-41 . . . . 15633 1 14 no PDB 2KED . "Structure Of Sdf-1CXCL12" . . . . . 100.00 70 97.14 97.14 5.42e-41 . . . . 15633 1 15 no PDB 2SDF . "Solution Nmr Structure Of Stromal Cell-Derived Factor-1 (Sdf-1), 30 Structures" . . . . . 95.71 67 97.01 97.01 2.47e-38 . . . . 15633 1 16 no PDB 3HP3 . "Crystal Structure Of Cxcl12" . . . . . 97.14 68 97.06 97.06 3.21e-39 . . . . 15633 1 17 no PDB 4UAI . "Crystal Structure Of Cxcl12 In Complex With Inhibitor" . . . . . 97.14 68 97.06 97.06 6.79e-39 . . . . 15633 1 18 no DBJ BAA28601 . "stromal cell-derived factor-1 a [Felis catus]" . . . . . 97.14 89 97.06 97.06 1.68e-39 . . . . 15633 1 19 no DBJ BAA28602 . "stromal cell-derived factor-1 b [Felis catus]" . . . . . 97.14 93 97.06 97.06 1.63e-39 . . . . 15633 1 20 no DBJ BAF85317 . "unnamed protein product [Homo sapiens]" . . . . . 97.14 89 97.06 97.06 2.27e-39 . . . . 15633 1 21 no DBJ BAG11056 . "stromal cell-derived factor 1 precursor [synthetic construct]" . . . . . 97.14 137 97.06 97.06 2.25e-39 . . . . 15633 1 22 no DBJ BAG34757 . "unnamed protein product [Homo sapiens]" . . . . . 97.14 93 97.06 97.06 2.05e-39 . . . . 15633 1 23 no EMBL CAG29279 . "CXCL12 [Homo sapiens]" . . . . . 97.14 89 97.06 97.06 2.27e-39 . . . . 15633 1 24 no GB AAA97434 . "cytokine SDF-1-beta [Homo sapiens]" . . . . . 97.14 93 97.06 97.06 2.05e-39 . . . . 15633 1 25 no GB AAB39332 . "pre-B cell stimulating factor homologue [Homo sapiens]" . . . . . 97.14 93 97.06 97.06 2.05e-39 . . . . 15633 1 26 no GB AAB39333 . "pre-B cell stimulating factor homologue [Homo sapiens]" . . . . . 97.14 89 97.06 97.06 2.27e-39 . . . . 15633 1 27 no GB AAB40516 . "intercrine-alpha [Homo sapiens]" . . . . . 97.14 89 97.06 97.06 2.27e-39 . . . . 15633 1 28 no GB AAH39893 . "Chemokine (C-X-C motif) ligand 12 (stromal cell-derived factor 1) [Homo sapiens]" . . . . . 97.14 89 97.06 97.06 2.27e-39 . . . . 15633 1 29 no REF NP_000600 . "stromal cell-derived factor 1 isoform beta precursor [Homo sapiens]" . . . . . 97.14 93 97.06 97.06 2.05e-39 . . . . 15633 1 30 no REF NP_001009847 . "stromal cell-derived factor 1 precursor [Felis catus]" . . . . . 97.14 93 97.06 97.06 1.63e-39 . . . . 15633 1 31 no REF NP_001028106 . "stromal cell-derived factor 1 precursor [Macaca mulatta]" . . . . . 97.14 89 97.06 97.06 2.04e-39 . . . . 15633 1 32 no REF NP_001029058 . "stromal cell-derived factor 1 isoform gamma precursor [Homo sapiens]" . . . . . 97.14 119 97.06 97.06 8.89e-40 . . . . 15633 1 33 no REF NP_001171605 . "stromal cell-derived factor 1 isoform delta precursor [Homo sapiens]" . . . . . 95.71 140 97.01 97.01 7.73e-38 . . . . 15633 1 34 no SP O62657 . "RecName: Full=Stromal cell-derived factor 1; Short=SDF-1; AltName: Full=C-X-C motif chemokine 12; Flags: Precursor" . . . . . 97.14 93 97.06 97.06 1.63e-39 . . . . 15633 1 35 no SP P48061 . "RecName: Full=Stromal cell-derived factor 1; Short=SDF-1; Short=hSDF-1; AltName: Full=C-X-C motif chemokine 12; AltName: Full=I" . . . . . 97.14 93 97.06 97.06 2.05e-39 . . . . 15633 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 -1 GLY . 15633 1 2 0 MET . 15633 1 3 1 LYS . 15633 1 4 2 PRO . 15633 1 5 3 VAL . 15633 1 6 4 SER . 15633 1 7 5 LEU . 15633 1 8 6 SER . 15633 1 9 7 TYR . 15633 1 10 8 ARG . 15633 1 11 9 CYS . 15633 1 12 10 PRO . 15633 1 13 11 CYS . 15633 1 14 12 ARG . 15633 1 15 13 PHE . 15633 1 16 14 PHE . 15633 1 17 15 GLU . 15633 1 18 16 SER . 15633 1 19 17 HIS . 15633 1 20 18 VAL . 15633 1 21 19 ALA . 15633 1 22 20 ARG . 15633 1 23 21 ALA . 15633 1 24 22 ASN . 15633 1 25 23 VAL . 15633 1 26 24 LYS . 15633 1 27 25 HIS . 15633 1 28 26 LEU . 15633 1 29 27 LYS . 15633 1 30 28 ILE . 15633 1 31 29 LEU . 15633 1 32 30 ASN . 15633 1 33 31 THR . 15633 1 34 32 PRO . 15633 1 35 33 ASN . 15633 1 36 34 CYS . 15633 1 37 35 ALA . 15633 1 38 36 CYS . 15633 1 39 37 GLN . 15633 1 40 38 ILE . 15633 1 41 39 VAL . 15633 1 42 40 ALA . 15633 1 43 41 ARG . 15633 1 44 42 LEU . 15633 1 45 43 LYS . 15633 1 46 44 ASN . 15633 1 47 45 ASN . 15633 1 48 46 ASN . 15633 1 49 47 ARG . 15633 1 50 48 GLN . 15633 1 51 49 VAL . 15633 1 52 50 CYS . 15633 1 53 51 ILE . 15633 1 54 52 ASP . 15633 1 55 53 PRO . 15633 1 56 54 LYS . 15633 1 57 55 LEU . 15633 1 58 56 LYS . 15633 1 59 57 TRP . 15633 1 60 58 ILE . 15633 1 61 59 GLN . 15633 1 62 60 GLU . 15633 1 63 61 TYR . 15633 1 64 62 LEU . 15633 1 65 63 GLU . 15633 1 66 64 LYS . 15633 1 67 65 CYS . 15633 1 68 66 LEU . 15633 1 69 67 ASN . 15633 1 70 68 LYS . 15633 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 . GLY 1 1 15633 1 . MET 2 2 15633 1 . LYS 3 3 15633 1 . PRO 4 4 15633 1 . VAL 5 5 15633 1 . SER 6 6 15633 1 . LEU 7 7 15633 1 . SER 8 8 15633 1 . TYR 9 9 15633 1 . ARG 10 10 15633 1 . CYS 11 11 15633 1 . PRO 12 12 15633 1 . CYS 13 13 15633 1 . ARG 14 14 15633 1 . PHE 15 15 15633 1 . PHE 16 16 15633 1 . GLU 17 17 15633 1 . SER 18 18 15633 1 . HIS 19 19 15633 1 . VAL 20 20 15633 1 . ALA 21 21 15633 1 . ARG 22 22 15633 1 . ALA 23 23 15633 1 . ASN 24 24 15633 1 . VAL 25 25 15633 1 . LYS 26 26 15633 1 . HIS 27 27 15633 1 . LEU 28 28 15633 1 . LYS 29 29 15633 1 . ILE 30 30 15633 1 . LEU 31 31 15633 1 . ASN 32 32 15633 1 . THR 33 33 15633 1 . PRO 34 34 15633 1 . ASN 35 35 15633 1 . CYS 36 36 15633 1 . ALA 37 37 15633 1 . CYS 38 38 15633 1 . GLN 39 39 15633 1 . ILE 40 40 15633 1 . VAL 41 41 15633 1 . ALA 42 42 15633 1 . ARG 43 43 15633 1 . LEU 44 44 15633 1 . LYS 45 45 15633 1 . ASN 46 46 15633 1 . ASN 47 47 15633 1 . ASN 48 48 15633 1 . ARG 49 49 15633 1 . GLN 50 50 15633 1 . VAL 51 51 15633 1 . CYS 52 52 15633 1 . ILE 53 53 15633 1 . ASP 54 54 15633 1 . PRO 55 55 15633 1 . LYS 56 56 15633 1 . LEU 57 57 15633 1 . LYS 58 58 15633 1 . TRP 59 59 15633 1 . ILE 60 60 15633 1 . GLN 61 61 15633 1 . GLU 62 62 15633 1 . TYR 63 63 15633 1 . LEU 64 64 15633 1 . GLU 65 65 15633 1 . LYS 66 66 15633 1 . CYS 67 67 15633 1 . LEU 68 68 15633 1 . ASN 69 69 15633 1 . LYS 70 70 15633 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 15633 _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 $CXCL12_SDF1-alpha . 9606 organism . 'Homo sapiens' . . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15633 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 15633 _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 $CXCL12_SDF1-alpha . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli SG130099[pREP4] . . . . . . . . . . . . . . . pQE30-6HT . . . . . . 15633 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15633 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.620 mM CXCL12 U-15N/13C (dimer concentration), 25 mM MES(d13)' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CXCL12/SDF1-alpha '[U-100% 13C; U-100% 15N]' 1 $assembly . . . . 0.620 . . mM . . . . 15633 1 2 MES(d13) . . . . . . . 25 . . mM . . . . 15633 1 3 H2O . . . . . . . 90 . . % . . . . 15633 1 4 D2O . . . . . . . 10 . . % . . . . 15633 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 15633 _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' 21 . mM 15633 1 pH 6.8 . pH 15633 1 pressure 1 . atm 15633 1 temperature 298 . K 15633 1 stop_ save_ ############################ # Computer software used # ############################ save_Xplor-NIH _Software.Sf_category software _Software.Sf_framecode Xplor-NIH _Software.Entry_ID 15633 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. . . 15633 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15633 1 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 15633 _Software.ID 2 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 15633 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15633 2 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 15633 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2004 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delagio,F. et al.' . . 15633 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15633 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15633 _Software.ID 4 _Software.Name XEASY _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.' . . 15633 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15633 4 stop_ save_ save_SPSCAN _Software.Sf_category software _Software.Sf_framecode SPSCAN _Software.Entry_ID 15633 _Software.ID 5 _Software.Name SPSCAN _Software.Version 1.1.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'R.W. Glaser' . . 15633 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15633 5 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 15633 _Software.ID 6 _Software.Name GARANT _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'C. Bartels' . . 15633 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15633 6 stop_ save_ save_Cyana _Software.Sf_category software _Software.Sf_framecode Cyana _Software.Entry_ID 15633 _Software.ID 7 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 15633 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structural calculation' 15633 7 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 15633 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_600 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 600 _NMR_spectrometer_list.Entry_ID 15633 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 15633 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 15633 _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 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15633 1 2 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15633 1 3 '3D_13C-separated_NOESY (AROMATIC)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15633 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 15633 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15633 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15633 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15633 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 15633 _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 0.020 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 3D_15N-separated_NOESY . . . 15633 1 2 3D_13C-separated_NOESY . . . 15633 1 3 '3D_13C-separated_NOESY (AROMATIC)' . . . 15633 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 3 3 LYS H H 1 8.483 0.020 . 1 . . . . 1 LYS H . 15633 1 2 . 1 1 3 3 LYS N N 15 124.855 0.1 . 1 . . . . 1 LYS N . 15633 1 3 . 1 1 4 4 PRO HA H 1 4.490 0.020 . 1 . . . . 2 PRO HA . 15633 1 4 . 1 1 4 4 PRO HB2 H 1 2.329 0.005 . 2 . . . . 2 PRO HB2 . 15633 1 5 . 1 1 4 4 PRO HB3 H 1 1.931 0.008 . 2 . . . . 2 PRO HB3 . 15633 1 6 . 1 1 4 4 PRO HD2 H 1 3.883 0.004 . 2 . . . . 2 PRO HD2 . 15633 1 7 . 1 1 4 4 PRO HD3 H 1 3.668 0.020 . 2 . . . . 2 PRO HD3 . 15633 1 8 . 1 1 4 4 PRO HG2 H 1 2.068 0.008 . 2 . . . . 2 PRO HG2 . 15633 1 9 . 1 1 4 4 PRO HG3 H 1 2.068 0.008 . 2 . . . . 2 PRO HG3 . 15633 1 10 . 1 1 4 4 PRO C C 13 177.102 0.1 . 1 . . . . 2 PRO C . 15633 1 11 . 1 1 4 4 PRO CA C 13 63.319 0.1 . 1 . . . . 2 PRO CA . 15633 1 12 . 1 1 4 4 PRO CB C 13 32.575 0.1 . 1 . . . . 2 PRO CB . 15633 1 13 . 1 1 4 4 PRO CD C 13 51.111 0.044 . 1 . . . . 2 PRO CD . 15633 1 14 . 1 1 4 4 PRO CG C 13 27.806 0.101 . 1 . . . . 2 PRO CG . 15633 1 15 . 1 1 5 5 VAL H H 1 8.259 0.020 . 1 . . . . 3 VAL H . 15633 1 16 . 1 1 5 5 VAL HA H 1 4.117 0.020 . 1 . . . . 3 VAL HA . 15633 1 17 . 1 1 5 5 VAL HB H 1 2.087 0.020 . 1 . . . . 3 VAL HB . 15633 1 18 . 1 1 5 5 VAL HG11 H 1 0.977 0.020 . 2 . . . . 3 VAL QG1 . 15633 1 19 . 1 1 5 5 VAL HG12 H 1 0.977 0.020 . 2 . . . . 3 VAL QG1 . 15633 1 20 . 1 1 5 5 VAL HG13 H 1 0.977 0.020 . 2 . . . . 3 VAL QG1 . 15633 1 21 . 1 1 5 5 VAL HG21 H 1 0.977 0.020 . 2 . . . . 3 VAL QG2 . 15633 1 22 . 1 1 5 5 VAL HG22 H 1 0.977 0.020 . 2 . . . . 3 VAL QG2 . 15633 1 23 . 1 1 5 5 VAL HG23 H 1 0.977 0.020 . 2 . . . . 3 VAL QG2 . 15633 1 24 . 1 1 5 5 VAL C C 13 176.385 0.1 . 1 . . . . 3 VAL C . 15633 1 25 . 1 1 5 5 VAL CA C 13 62.629 0.1 . 1 . . . . 3 VAL CA . 15633 1 26 . 1 1 5 5 VAL CB C 13 33.146 0.1 . 1 . . . . 3 VAL CB . 15633 1 27 . 1 1 5 5 VAL CG1 C 13 21.102 0.057 . 1 . . . . 3 VAL CG1 . 15633 1 28 . 1 1 5 5 VAL CG2 C 13 21.159 0.1 . 1 . . . . 3 VAL CG2 . 15633 1 29 . 1 1 5 5 VAL N N 15 120.806 0.1 . 1 . . . . 3 VAL N . 15633 1 30 . 1 1 6 6 SER H H 1 8.345 0.020 . 1 . . . . 4 SER H . 15633 1 31 . 1 1 6 6 SER HA H 1 4.479 0.020 . 1 . . . . 4 SER HA . 15633 1 32 . 1 1 6 6 SER HB2 H 1 3.864 0.020 . 2 . . . . 4 SER HB2 . 15633 1 33 . 1 1 6 6 SER HB3 H 1 3.864 0.020 . 2 . . . . 4 SER HB3 . 15633 1 34 . 1 1 6 6 SER C C 13 174.687 0.1 . 1 . . . . 4 SER C . 15633 1 35 . 1 1 6 6 SER CA C 13 58.340 0.1 . 1 . . . . 4 SER CA . 15633 1 36 . 1 1 6 6 SER CB C 13 64.208 0.1 . 1 . . . . 4 SER CB . 15633 1 37 . 1 1 6 6 SER N N 15 119.332 0.1 . 1 . . . . 4 SER N . 15633 1 38 . 1 1 7 7 LEU H H 1 8.334 0.020 . 1 . . . . 5 LEU H . 15633 1 39 . 1 1 7 7 LEU HA H 1 4.384 0.020 . 1 . . . . 5 LEU HA . 15633 1 40 . 1 1 7 7 LEU HB2 H 1 1.637 0.020 . 2 . . . . 5 LEU HB2 . 15633 1 41 . 1 1 7 7 LEU HB3 H 1 1.550 0.020 . 2 . . . . 5 LEU HB3 . 15633 1 42 . 1 1 7 7 LEU HD11 H 1 0.938 0.020 . 2 . . . . 5 LEU QD1 . 15633 1 43 . 1 1 7 7 LEU HD12 H 1 0.938 0.020 . 2 . . . . 5 LEU QD1 . 15633 1 44 . 1 1 7 7 LEU HD13 H 1 0.938 0.020 . 2 . . . . 5 LEU QD1 . 15633 1 45 . 1 1 7 7 LEU C C 13 177.424 0.1 . 1 . . . . 5 LEU C . 15633 1 46 . 1 1 7 7 LEU CA C 13 55.495 0.1 . 1 . . . . 5 LEU CA . 15633 1 47 . 1 1 7 7 LEU CB C 13 42.786 0.1 . 1 . . . . 5 LEU CB . 15633 1 48 . 1 1 7 7 LEU CD1 C 13 25.338 0.1 . 1 . . . . 5 LEU CD1 . 15633 1 49 . 1 1 7 7 LEU N N 15 124.942 0.1 . 1 . . . . 5 LEU N . 15633 1 50 . 1 1 8 8 SER H H 1 8.198 0.020 . 1 . . . . 6 SER H . 15633 1 51 . 1 1 8 8 SER HA H 1 4.407 0.020 . 1 . . . . 6 SER HA . 15633 1 52 . 1 1 8 8 SER HB2 H 1 3.814 0.020 . 2 . . . . 6 SER HB2 . 15633 1 53 . 1 1 8 8 SER HB3 H 1 3.814 0.020 . 2 . . . . 6 SER HB3 . 15633 1 54 . 1 1 8 8 SER C C 13 174.306 0.1 . 1 . . . . 6 SER C . 15633 1 55 . 1 1 8 8 SER CA C 13 58.696 0.1 . 1 . . . . 6 SER CA . 15633 1 56 . 1 1 8 8 SER CB C 13 64.136 0.1 . 1 . . . . 6 SER CB . 15633 1 57 . 1 1 8 8 SER N N 15 116.070 0.1 . 1 . . . . 6 SER N . 15633 1 58 . 1 1 9 9 TYR H H 1 8.005 0.020 . 1 . . . . 7 TYR H . 15633 1 59 . 1 1 9 9 TYR HA H 1 4.547 0.020 . 1 . . . . 7 TYR HA . 15633 1 60 . 1 1 9 9 TYR HB2 H 1 3.069 0.020 . 2 . . . . 7 TYR HB2 . 15633 1 61 . 1 1 9 9 TYR HB3 H 1 2.952 0.020 . 2 . . . . 7 TYR HB3 . 15633 1 62 . 1 1 9 9 TYR HD1 H 1 7.124 0.020 . 1 . . . . 7 TYR HD1 . 15633 1 63 . 1 1 9 9 TYR HD2 H 1 7.124 0.020 . 1 . . . . 7 TYR HD2 . 15633 1 64 . 1 1 9 9 TYR HE1 H 1 6.861 0.002 . 1 . . . . 7 TYR HE1 . 15633 1 65 . 1 1 9 9 TYR HE2 H 1 6.861 0.002 . 1 . . . . 7 TYR HE2 . 15633 1 66 . 1 1 9 9 TYR C C 13 175.507 0.1 . 1 . . . . 7 TYR C . 15633 1 67 . 1 1 9 9 TYR CA C 13 58.236 0.1 . 1 . . . . 7 TYR CA . 15633 1 68 . 1 1 9 9 TYR CB C 13 39.144 0.1 . 1 . . . . 7 TYR CB . 15633 1 69 . 1 1 9 9 TYR CD1 C 13 133.342 0.1 . 1 . . . . 7 TYR CD1 . 15633 1 70 . 1 1 9 9 TYR CE1 C 13 118.329 0.1 . 1 . . . . 7 TYR CE1 . 15633 1 71 . 1 1 9 9 TYR N N 15 122.102 0.1 . 1 . . . . 7 TYR N . 15633 1 72 . 1 1 10 10 ARG H H 1 8.142 0.020 . 1 . . . . 8 ARG H . 15633 1 73 . 1 1 10 10 ARG HA H 1 4.302 0.010 . 1 . . . . 8 ARG HA . 15633 1 74 . 1 1 10 10 ARG HB2 H 1 1.810 0.020 . 2 . . . . 8 ARG HB2 . 15633 1 75 . 1 1 10 10 ARG HB3 H 1 1.710 0.020 . 2 . . . . 8 ARG HB3 . 15633 1 76 . 1 1 10 10 ARG HD2 H 1 3.177 0.003 . 2 . . . . 8 ARG HD2 . 15633 1 77 . 1 1 10 10 ARG HD3 H 1 3.177 0.003 . 2 . . . . 8 ARG HD3 . 15633 1 78 . 1 1 10 10 ARG HG2 H 1 1.550 0.007 . 2 . . . . 8 ARG HG2 . 15633 1 79 . 1 1 10 10 ARG HG3 H 1 1.550 0.007 . 2 . . . . 8 ARG HG3 . 15633 1 80 . 1 1 10 10 ARG C C 13 175.946 0.1 . 1 . . . . 8 ARG C . 15633 1 81 . 1 1 10 10 ARG CA C 13 56.102 0.1 . 1 . . . . 8 ARG CA . 15633 1 82 . 1 1 10 10 ARG CB C 13 31.004 0.1 . 1 . . . . 8 ARG CB . 15633 1 83 . 1 1 10 10 ARG CD C 13 43.900 0.1 . 1 . . . . 8 ARG CD . 15633 1 84 . 1 1 10 10 ARG CG C 13 26.854 0.1 . 1 . . . . 8 ARG CG . 15633 1 85 . 1 1 10 10 ARG N N 15 122.105 0.1 . 1 . . . . 8 ARG N . 15633 1 86 . 1 1 11 11 CYS H H 1 8.185 0.020 . 1 . . . . 9 CYS H . 15633 1 87 . 1 1 11 11 CYS HA H 1 4.952 0.006 . 1 . . . . 9 CYS HA . 15633 1 88 . 1 1 11 11 CYS HB2 H 1 2.727 0.002 . 2 . . . . 9 CYS HB2 . 15633 1 89 . 1 1 11 11 CYS HB3 H 1 3.164 0.009 . 2 . . . . 9 CYS HB3 . 15633 1 90 . 1 1 11 11 CYS CA C 13 53.192 0.1 . 1 . . . . 9 CYS CA . 15633 1 91 . 1 1 11 11 CYS CB C 13 40.250 0.1 . 1 . . . . 9 CYS CB . 15633 1 92 . 1 1 11 11 CYS N N 15 121.511 0.1 . 1 . . . . 9 CYS N . 15633 1 93 . 1 1 12 12 PRO HA H 1 4.315 0.011 . 1 . . . . 10 PRO HA . 15633 1 94 . 1 1 12 12 PRO HB2 H 1 1.915 0.006 . 2 . . . . 10 PRO HB2 . 15633 1 95 . 1 1 12 12 PRO HB3 H 1 2.364 0.005 . 2 . . . . 10 PRO HB3 . 15633 1 96 . 1 1 12 12 PRO HD2 H 1 3.891 0.006 . 2 . . . . 10 PRO HD2 . 15633 1 97 . 1 1 12 12 PRO HD3 H 1 3.891 0.006 . 2 . . . . 10 PRO HD3 . 15633 1 98 . 1 1 12 12 PRO HG2 H 1 2.102 0.007 . 2 . . . . 10 PRO HG2 . 15633 1 99 . 1 1 12 12 PRO HG3 H 1 2.102 0.007 . 2 . . . . 10 PRO HG3 . 15633 1 100 . 1 1 12 12 PRO C C 13 177.980 0.1 . 1 . . . . 10 PRO C . 15633 1 101 . 1 1 12 12 PRO CA C 13 65.345 0.140 . 1 . . . . 10 PRO CA . 15633 1 102 . 1 1 12 12 PRO CB C 13 32.575 0.1 . 1 . . . . 10 PRO CB . 15633 1 103 . 1 1 12 12 PRO CD C 13 51.225 0.057 . 1 . . . . 10 PRO CD . 15633 1 104 . 1 1 12 12 PRO CG C 13 27.841 0.070 . 1 . . . . 10 PRO CG . 15633 1 105 . 1 1 13 13 CYS H H 1 8.719 0.020 . 1 . . . . 11 CYS H . 15633 1 106 . 1 1 13 13 CYS N N 15 115.047 0.1 . 1 . . . . 11 CYS N . 15633 1 107 . 1 1 14 14 ARG HA H 1 4.028 0.020 . 1 . . . . 12 ARG HA . 15633 1 108 . 1 1 14 14 ARG HB2 H 1 1.592 0.001 . 2 . . . . 12 ARG HB2 . 15633 1 109 . 1 1 14 14 ARG HB3 H 1 1.528 0.002 . 2 . . . . 12 ARG HB3 . 15633 1 110 . 1 1 14 14 ARG HD2 H 1 3.017 0.020 . 2 . . . . 12 ARG HD2 . 15633 1 111 . 1 1 14 14 ARG HD3 H 1 3.017 0.020 . 2 . . . . 12 ARG HD3 . 15633 1 112 . 1 1 14 14 ARG HG2 H 1 1.298 0.001 . 2 . . . . 12 ARG HG2 . 15633 1 113 . 1 1 14 14 ARG HG3 H 1 1.197 0.010 . 2 . . . . 12 ARG HG3 . 15633 1 114 . 1 1 14 14 ARG C C 13 175.097 0.1 . 1 . . . . 12 ARG C . 15633 1 115 . 1 1 14 14 ARG CA C 13 57.503 0.1 . 1 . . . . 12 ARG CA . 15633 1 116 . 1 1 14 14 ARG CB C 13 31.289 0.1 . 1 . . . . 12 ARG CB . 15633 1 117 . 1 1 14 14 ARG CD C 13 43.485 0.1 . 1 . . . . 12 ARG CD . 15633 1 118 . 1 1 14 14 ARG CG C 13 26.828 0.066 . 1 . . . . 12 ARG CG . 15633 1 119 . 1 1 15 15 PHE H H 1 7.607 0.003 . 1 . . . . 13 PHE H . 15633 1 120 . 1 1 15 15 PHE HA H 1 4.497 0.020 . 1 . . . . 13 PHE HA . 15633 1 121 . 1 1 15 15 PHE HB2 H 1 3.110 0.020 . 2 . . . . 13 PHE HB2 . 15633 1 122 . 1 1 15 15 PHE HB3 H 1 2.818 0.020 . 2 . . . . 13 PHE HB3 . 15633 1 123 . 1 1 15 15 PHE HD1 H 1 7.220 0.020 . 1 . . . . 13 PHE HD1 . 15633 1 124 . 1 1 15 15 PHE HD2 H 1 7.220 0.020 . 1 . . . . 13 PHE HD2 . 15633 1 125 . 1 1 15 15 PHE HE1 H 1 7.352 0.013 . 1 . . . . 13 PHE HE1 . 15633 1 126 . 1 1 15 15 PHE HE2 H 1 7.352 0.013 . 1 . . . . 13 PHE HE2 . 15633 1 127 . 1 1 15 15 PHE C C 13 174.292 0.1 . 1 . . . . 13 PHE C . 15633 1 128 . 1 1 15 15 PHE CA C 13 56.060 0.1 . 1 . . . . 13 PHE CA . 15633 1 129 . 1 1 15 15 PHE CB C 13 41.122 0.1 . 1 . . . . 13 PHE CB . 15633 1 130 . 1 1 15 15 PHE CD1 C 13 132.302 0.1 . 1 . . . . 13 PHE CD1 . 15633 1 131 . 1 1 15 15 PHE CE1 C 13 131.789 0.1 . 1 . . . . 13 PHE CE1 . 15633 1 132 . 1 1 15 15 PHE N N 15 116.487 0.1 . 1 . . . . 13 PHE N . 15633 1 133 . 1 1 16 16 PHE H H 1 8.202 0.005 . 1 . . . . 14 PHE H . 15633 1 134 . 1 1 16 16 PHE HA H 1 4.793 0.006 . 1 . . . . 14 PHE HA . 15633 1 135 . 1 1 16 16 PHE HB2 H 1 2.770 0.020 . 2 . . . . 14 PHE HB2 . 15633 1 136 . 1 1 16 16 PHE HB3 H 1 2.998 0.020 . 2 . . . . 14 PHE HB3 . 15633 1 137 . 1 1 16 16 PHE HD1 H 1 7.010 0.012 . 1 . . . . 14 PHE HD1 . 15633 1 138 . 1 1 16 16 PHE HD2 H 1 7.010 0.012 . 1 . . . . 14 PHE HD2 . 15633 1 139 . 1 1 16 16 PHE HE1 H 1 7.353 0.020 . 1 . . . . 14 PHE HE1 . 15633 1 140 . 1 1 16 16 PHE HE2 H 1 7.353 0.020 . 1 . . . . 14 PHE HE2 . 15633 1 141 . 1 1 16 16 PHE C C 13 175.433 0.1 . 1 . . . . 14 PHE C . 15633 1 142 . 1 1 16 16 PHE CA C 13 55.516 0.1 . 1 . . . . 14 PHE CA . 15633 1 143 . 1 1 16 16 PHE CB C 13 41.096 0.1 . 1 . . . . 14 PHE CB . 15633 1 144 . 1 1 16 16 PHE CD1 C 13 131.789 0.1 . 1 . . . . 14 PHE CD1 . 15633 1 145 . 1 1 16 16 PHE CE1 C 13 131.789 0.1 . 1 . . . . 14 PHE CE1 . 15633 1 146 . 1 1 16 16 PHE N N 15 119.591 0.1 . 1 . . . . 14 PHE N . 15633 1 147 . 1 1 17 17 GLU H H 1 8.749 0.007 . 1 . . . . 15 GLU H . 15633 1 148 . 1 1 17 17 GLU HA H 1 4.579 0.020 . 1 . . . . 15 GLU HA . 15633 1 149 . 1 1 17 17 GLU HB2 H 1 2.016 0.003 . 2 . . . . 15 GLU HB2 . 15633 1 150 . 1 1 17 17 GLU HB3 H 1 2.154 0.009 . 2 . . . . 15 GLU HB3 . 15633 1 151 . 1 1 17 17 GLU HG2 H 1 2.385 0.006 . 2 . . . . 15 GLU HG2 . 15633 1 152 . 1 1 17 17 GLU HG3 H 1 2.385 0.006 . 2 . . . . 15 GLU HG3 . 15633 1 153 . 1 1 17 17 GLU C C 13 176.809 0.1 . 1 . . . . 15 GLU C . 15633 1 154 . 1 1 17 17 GLU CA C 13 56.395 0.1 . 1 . . . . 15 GLU CA . 15633 1 155 . 1 1 17 17 GLU CB C 13 30.932 0.1 . 1 . . . . 15 GLU CB . 15633 1 156 . 1 1 17 17 GLU CG C 13 36.576 0.1 . 1 . . . . 15 GLU CG . 15633 1 157 . 1 1 17 17 GLU N N 15 122.719 0.1 . 1 . . . . 15 GLU N . 15633 1 158 . 1 1 18 18 SER H H 1 8.764 0.005 . 1 . . . . 16 SER H . 15633 1 159 . 1 1 18 18 SER HA H 1 4.697 0.020 . 1 . . . . 16 SER HA . 15633 1 160 . 1 1 18 18 SER HB2 H 1 3.858 0.020 . 2 . . . . 16 SER HB2 . 15633 1 161 . 1 1 18 18 SER HB3 H 1 3.772 0.020 . 2 . . . . 16 SER HB3 . 15633 1 162 . 1 1 18 18 SER CA C 13 59.637 0.1 . 1 . . . . 16 SER CA . 15633 1 163 . 1 1 18 18 SER CB C 13 64.708 0.1 . 1 . . . . 16 SER CB . 15633 1 164 . 1 1 18 18 SER N N 15 118.765 0.1 . 1 . . . . 16 SER N . 15633 1 165 . 1 1 19 19 HIS H H 1 8.617 0.020 . 1 . . . . 17 HIS H . 15633 1 166 . 1 1 19 19 HIS HA H 1 4.770 0.020 . 1 . . . . 17 HIS HA . 15633 1 167 . 1 1 19 19 HIS HB2 H 1 3.222 0.020 . 2 . . . . 17 HIS HB2 . 15633 1 168 . 1 1 19 19 HIS HB3 H 1 3.222 0.020 . 2 . . . . 17 HIS HB3 . 15633 1 169 . 1 1 19 19 HIS HD2 H 1 7.119 0.020 . 1 . . . . 17 HIS HD2 . 15633 1 170 . 1 1 19 19 HIS HE1 H 1 7.963 0.020 . 1 . . . . 17 HIS HE1 . 15633 1 171 . 1 1 19 19 HIS C C 13 174.658 0.1 . 1 . . . . 17 HIS C . 15633 1 172 . 1 1 19 19 HIS CA C 13 56.750 0.1 . 1 . . . . 17 HIS CA . 15633 1 173 . 1 1 19 19 HIS CB C 13 29.718 0.1 . 1 . . . . 17 HIS CB . 15633 1 174 . 1 1 19 19 HIS CD2 C 13 120.141 0.1 . 1 . . . . 17 HIS CD2 . 15633 1 175 . 1 1 19 19 HIS CE1 C 13 138.518 0.1 . 1 . . . . 17 HIS CE1 . 15633 1 176 . 1 1 19 19 HIS N N 15 119.651 0.1 . 1 . . . . 17 HIS N . 15633 1 177 . 1 1 20 20 VAL H H 1 7.360 0.005 . 1 . . . . 18 VAL H . 15633 1 178 . 1 1 20 20 VAL HA H 1 4.100 0.001 . 1 . . . . 18 VAL HA . 15633 1 179 . 1 1 20 20 VAL HB H 1 1.957 0.008 . 1 . . . . 18 VAL HB . 15633 1 180 . 1 1 20 20 VAL HG11 H 1 0.877 0.006 . 2 . . . . 18 VAL QG1 . 15633 1 181 . 1 1 20 20 VAL HG12 H 1 0.877 0.006 . 2 . . . . 18 VAL QG1 . 15633 1 182 . 1 1 20 20 VAL HG13 H 1 0.877 0.006 . 2 . . . . 18 VAL QG1 . 15633 1 183 . 1 1 20 20 VAL HG21 H 1 0.877 0.006 . 2 . . . . 18 VAL QG2 . 15633 1 184 . 1 1 20 20 VAL HG22 H 1 0.877 0.006 . 2 . . . . 18 VAL QG2 . 15633 1 185 . 1 1 20 20 VAL HG23 H 1 0.877 0.006 . 2 . . . . 18 VAL QG2 . 15633 1 186 . 1 1 20 20 VAL C C 13 174.424 0.1 . 1 . . . . 18 VAL C . 15633 1 187 . 1 1 20 20 VAL CA C 13 62.252 0.1 . 1 . . . . 18 VAL CA . 15633 1 188 . 1 1 20 20 VAL CB C 13 34.146 0.1 . 1 . . . . 18 VAL CB . 15633 1 189 . 1 1 20 20 VAL CG1 C 13 22.130 0.1 . 1 . . . . 18 VAL CG1 . 15633 1 190 . 1 1 20 20 VAL CG2 C 13 21.450 0.1 . 1 . . . . 18 VAL CG2 . 15633 1 191 . 1 1 20 20 VAL N N 15 121.352 0.1 . 1 . . . . 18 VAL N . 15633 1 192 . 1 1 21 21 ALA H H 1 8.570 0.006 . 1 . . . . 19 ALA H . 15633 1 193 . 1 1 21 21 ALA HA H 1 4.345 0.020 . 1 . . . . 19 ALA HA . 15633 1 194 . 1 1 21 21 ALA HB1 H 1 1.342 0.006 . 1 . . . . 19 ALA QB . 15633 1 195 . 1 1 21 21 ALA HB2 H 1 1.342 0.006 . 1 . . . . 19 ALA QB . 15633 1 196 . 1 1 21 21 ALA HB3 H 1 1.342 0.006 . 1 . . . . 19 ALA QB . 15633 1 197 . 1 1 21 21 ALA C C 13 177.570 0.1 . 1 . . . . 19 ALA C . 15633 1 198 . 1 1 21 21 ALA CA C 13 50.997 0.1 . 1 . . . . 19 ALA CA . 15633 1 199 . 1 1 21 21 ALA CB C 13 19.579 0.1 . 1 . . . . 19 ALA CB . 15633 1 200 . 1 1 21 21 ALA N N 15 131.401 0.1 . 1 . . . . 19 ALA N . 15633 1 201 . 1 1 22 22 ARG H H 1 7.838 0.006 . 1 . . . . 20 ARG H . 15633 1 202 . 1 1 22 22 ARG HA H 1 2.545 0.005 . 1 . . . . 20 ARG HA . 15633 1 203 . 1 1 22 22 ARG HB2 H 1 0.492 0.020 . 2 . . . . 20 ARG HB2 . 15633 1 204 . 1 1 22 22 ARG HB3 H 1 1.035 0.020 . 2 . . . . 20 ARG HB3 . 15633 1 205 . 1 1 22 22 ARG HD2 H 1 2.866 0.001 . 2 . . . . 20 ARG HD2 . 15633 1 206 . 1 1 22 22 ARG HD3 H 1 2.866 0.001 . 2 . . . . 20 ARG HD3 . 15633 1 207 . 1 1 22 22 ARG HG2 H 1 1.176 0.020 . 2 . . . . 20 ARG HG2 . 15633 1 208 . 1 1 22 22 ARG HG3 H 1 0.867 0.004 . 2 . . . . 20 ARG HG3 . 15633 1 209 . 1 1 22 22 ARG C C 13 178.258 0.1 . 1 . . . . 20 ARG C . 15633 1 210 . 1 1 22 22 ARG CA C 13 59.407 0.1 . 1 . . . . 20 ARG CA . 15633 1 211 . 1 1 22 22 ARG CB C 13 29.433 0.1 . 1 . . . . 20 ARG CB . 15633 1 212 . 1 1 22 22 ARG CD C 13 43.773 0.1 . 1 . . . . 20 ARG CD . 15633 1 213 . 1 1 22 22 ARG CG C 13 26.561 0.092 . 1 . . . . 20 ARG CG . 15633 1 214 . 1 1 22 22 ARG N N 15 124.465 0.1 . 1 . . . . 20 ARG N . 15633 1 215 . 1 1 23 23 ALA H H 1 8.203 0.005 . 1 . . . . 21 ALA H . 15633 1 216 . 1 1 23 23 ALA HA H 1 4.069 0.020 . 1 . . . . 21 ALA HA . 15633 1 217 . 1 1 23 23 ALA HB1 H 1 1.302 0.020 . 1 . . . . 21 ALA QB . 15633 1 218 . 1 1 23 23 ALA HB2 H 1 1.302 0.020 . 1 . . . . 21 ALA QB . 15633 1 219 . 1 1 23 23 ALA HB3 H 1 1.302 0.020 . 1 . . . . 21 ALA QB . 15633 1 220 . 1 1 23 23 ALA C C 13 177.995 0.1 . 1 . . . . 21 ALA C . 15633 1 221 . 1 1 23 23 ALA CA C 13 54.000 0.1 . 1 . . . . 21 ALA CA . 15633 1 222 . 1 1 23 23 ALA CB C 13 18.722 0.1 . 1 . . . . 21 ALA CB . 15633 1 223 . 1 1 23 23 ALA N N 15 117.242 0.1 . 1 . . . . 21 ALA N . 15633 1 224 . 1 1 24 24 ASN H H 1 7.739 0.007 . 1 . . . . 22 ASN H . 15633 1 225 . 1 1 24 24 ASN HA H 1 4.988 0.008 . 1 . . . . 22 ASN HA . 15633 1 226 . 1 1 24 24 ASN HB2 H 1 3.100 0.020 . 2 . . . . 22 ASN HB2 . 15633 1 227 . 1 1 24 24 ASN HB3 H 1 2.686 0.003 . 2 . . . . 22 ASN HB3 . 15633 1 228 . 1 1 24 24 ASN HD21 H 1 7.703 0.020 . 2 . . . . 22 ASN HD21 . 15633 1 229 . 1 1 24 24 ASN HD22 H 1 7.133 0.001 . 2 . . . . 22 ASN HD22 . 15633 1 230 . 1 1 24 24 ASN C C 13 174.848 0.1 . 1 . . . . 22 ASN C . 15633 1 231 . 1 1 24 24 ASN CA C 13 52.509 0.009 . 1 . . . . 22 ASN CA . 15633 1 232 . 1 1 24 24 ASN CB C 13 40.358 0.1 . 1 . . . . 22 ASN CB . 15633 1 233 . 1 1 24 24 ASN N N 15 112.861 0.1 . 1 . . . . 22 ASN N . 15633 1 234 . 1 1 24 24 ASN ND2 N 15 112.192 0.1 . 1 . . . . 22 ASN ND2 . 15633 1 235 . 1 1 25 25 VAL H H 1 7.524 0.005 . 1 . . . . 23 VAL H . 15633 1 236 . 1 1 25 25 VAL HA H 1 4.272 0.003 . 1 . . . . 23 VAL HA . 15633 1 237 . 1 1 25 25 VAL HB H 1 2.170 0.004 . 1 . . . . 23 VAL HB . 15633 1 238 . 1 1 25 25 VAL HG11 H 1 0.906 0.007 . 2 . . . . 23 VAL QG1 . 15633 1 239 . 1 1 25 25 VAL HG12 H 1 0.906 0.007 . 2 . . . . 23 VAL QG1 . 15633 1 240 . 1 1 25 25 VAL HG13 H 1 0.906 0.007 . 2 . . . . 23 VAL QG1 . 15633 1 241 . 1 1 25 25 VAL HG21 H 1 0.906 0.007 . 2 . . . . 23 VAL QG2 . 15633 1 242 . 1 1 25 25 VAL HG22 H 1 0.906 0.007 . 2 . . . . 23 VAL QG2 . 15633 1 243 . 1 1 25 25 VAL HG23 H 1 0.906 0.007 . 2 . . . . 23 VAL QG2 . 15633 1 244 . 1 1 25 25 VAL C C 13 175.755 0.1 . 1 . . . . 23 VAL C . 15633 1 245 . 1 1 25 25 VAL CA C 13 62.859 0.1 . 1 . . . . 23 VAL CA . 15633 1 246 . 1 1 25 25 VAL CB C 13 33.432 0.1 . 1 . . . . 23 VAL CB . 15633 1 247 . 1 1 25 25 VAL CG1 C 13 22.794 0.045 . 1 . . . . 23 VAL CG1 . 15633 1 248 . 1 1 25 25 VAL CG2 C 13 22.687 0.1 . 1 . . . . 23 VAL CG2 . 15633 1 249 . 1 1 25 25 VAL N N 15 119.883 0.1 . 1 . . . . 23 VAL N . 15633 1 250 . 1 1 26 26 LYS H H 1 9.527 0.007 . 1 . . . . 24 LYS H . 15633 1 251 . 1 1 26 26 LYS HA H 1 4.298 0.020 . 1 . . . . 24 LYS HA . 15633 1 252 . 1 1 26 26 LYS HB2 H 1 1.267 0.001 . 2 . . . . 24 LYS HB2 . 15633 1 253 . 1 1 26 26 LYS HB3 H 1 1.619 0.009 . 2 . . . . 24 LYS HB3 . 15633 1 254 . 1 1 26 26 LYS HD2 H 1 1.631 0.005 . 2 . . . . 24 LYS HD2 . 15633 1 255 . 1 1 26 26 LYS HD3 H 1 1.631 0.005 . 2 . . . . 24 LYS HD3 . 15633 1 256 . 1 1 26 26 LYS HE2 H 1 3.045 0.001 . 2 . . . . 24 LYS HE2 . 15633 1 257 . 1 1 26 26 LYS HE3 H 1 3.045 0.001 . 2 . . . . 24 LYS HE3 . 15633 1 258 . 1 1 26 26 LYS HG2 H 1 1.328 0.002 . 2 . . . . 24 LYS HG2 . 15633 1 259 . 1 1 26 26 LYS HG3 H 1 1.424 0.020 . 2 . . . . 24 LYS HG3 . 15633 1 260 . 1 1 26 26 LYS C C 13 176.634 0.1 . 1 . . . . 24 LYS C . 15633 1 261 . 1 1 26 26 LYS CA C 13 58.989 0.1 . 1 . . . . 24 LYS CA . 15633 1 262 . 1 1 26 26 LYS CB C 13 34.390 0.1 . 1 . . . . 24 LYS CB . 15633 1 263 . 1 1 26 26 LYS CD C 13 30.263 0.1 . 1 . . . . 24 LYS CD . 15633 1 264 . 1 1 26 26 LYS CE C 13 42.132 0.1 . 1 . . . . 24 LYS CE . 15633 1 265 . 1 1 26 26 LYS CG C 13 25.843 0.1 . 1 . . . . 24 LYS CG . 15633 1 266 . 1 1 26 26 LYS N N 15 128.312 0.1 . 1 . . . . 24 LYS N . 15633 1 267 . 1 1 27 27 HIS H H 1 7.214 0.005 . 1 . . . . 25 HIS H . 15633 1 268 . 1 1 27 27 HIS HA H 1 4.965 0.001 . 1 . . . . 25 HIS HA . 15633 1 269 . 1 1 27 27 HIS HB2 H 1 3.660 0.020 . 2 . . . . 25 HIS HB2 . 15633 1 270 . 1 1 27 27 HIS HB3 H 1 3.064 0.020 . 2 . . . . 25 HIS HB3 . 15633 1 271 . 1 1 27 27 HIS HD2 H 1 6.540 0.020 . 1 . . . . 25 HIS HD2 . 15633 1 272 . 1 1 27 27 HIS HE1 H 1 7.884 0.020 . 1 . . . . 25 HIS HE1 . 15633 1 273 . 1 1 27 27 HIS C C 13 172.740 0.1 . 1 . . . . 25 HIS C . 15633 1 274 . 1 1 27 27 HIS CA C 13 55.328 0.1 . 1 . . . . 25 HIS CA . 15633 1 275 . 1 1 27 27 HIS CB C 13 32.882 0.1 . 1 . . . . 25 HIS CB . 15633 1 276 . 1 1 27 27 HIS CD2 C 13 120.141 0.1 . 1 . . . . 25 HIS CD2 . 15633 1 277 . 1 1 27 27 HIS CE1 C 13 138.518 0.1 . 1 . . . . 25 HIS CE1 . 15633 1 278 . 1 1 27 27 HIS N N 15 109.505 0.1 . 1 . . . . 25 HIS N . 15633 1 279 . 1 1 28 28 LEU H H 1 8.066 0.008 . 1 . . . . 26 LEU H . 15633 1 280 . 1 1 28 28 LEU HA H 1 5.156 0.020 . 1 . . . . 26 LEU HA . 15633 1 281 . 1 1 28 28 LEU HB2 H 1 1.682 0.020 . 2 . . . . 26 LEU HB2 . 15633 1 282 . 1 1 28 28 LEU HB3 H 1 1.232 0.004 . 2 . . . . 26 LEU HB3 . 15633 1 283 . 1 1 28 28 LEU HD11 H 1 0.745 0.008 . 2 . . . . 26 LEU QD1 . 15633 1 284 . 1 1 28 28 LEU HD12 H 1 0.745 0.008 . 2 . . . . 26 LEU QD1 . 15633 1 285 . 1 1 28 28 LEU HD13 H 1 0.745 0.008 . 2 . . . . 26 LEU QD1 . 15633 1 286 . 1 1 28 28 LEU HD21 H 1 0.515 0.005 . 2 . . . . 26 LEU QD2 . 15633 1 287 . 1 1 28 28 LEU HD22 H 1 0.515 0.005 . 2 . . . . 26 LEU QD2 . 15633 1 288 . 1 1 28 28 LEU HD23 H 1 0.515 0.005 . 2 . . . . 26 LEU QD2 . 15633 1 289 . 1 1 28 28 LEU HG H 1 1.429 0.020 . 1 . . . . 26 LEU HG . 15633 1 290 . 1 1 28 28 LEU C C 13 175.346 0.1 . 1 . . . . 26 LEU C . 15633 1 291 . 1 1 28 28 LEU CA C 13 53.466 0.1 . 1 . . . . 26 LEU CA . 15633 1 292 . 1 1 28 28 LEU CB C 13 45.200 0.1 . 1 . . . . 26 LEU CB . 15633 1 293 . 1 1 28 28 LEU CD1 C 13 23.949 0.1 . 1 . . . . 26 LEU CD1 . 15633 1 294 . 1 1 28 28 LEU CD2 C 13 26.349 0.1 . 1 . . . . 26 LEU CD2 . 15633 1 295 . 1 1 28 28 LEU CG C 13 26.601 0.1 . 1 . . . . 26 LEU CG . 15633 1 296 . 1 1 28 28 LEU N N 15 116.963 0.1 . 1 . . . . 26 LEU N . 15633 1 297 . 1 1 29 29 LYS H H 1 9.549 0.007 . 1 . . . . 27 LYS H . 15633 1 298 . 1 1 29 29 LYS HA H 1 5.353 0.001 . 1 . . . . 27 LYS HA . 15633 1 299 . 1 1 29 29 LYS HB2 H 1 1.561 0.001 . 2 . . . . 27 LYS HB2 . 15633 1 300 . 1 1 29 29 LYS HB3 H 1 1.561 0.001 . 2 . . . . 27 LYS HB3 . 15633 1 301 . 1 1 29 29 LYS HD2 H 1 1.098 0.020 . 2 . . . . 27 LYS HD2 . 15633 1 302 . 1 1 29 29 LYS HD3 H 1 0.930 0.008 . 2 . . . . 27 LYS HD3 . 15633 1 303 . 1 1 29 29 LYS HE2 H 1 2.449 0.001 . 2 . . . . 27 LYS HE2 . 15633 1 304 . 1 1 29 29 LYS HE3 H 1 2.243 0.001 . 2 . . . . 27 LYS HE3 . 15633 1 305 . 1 1 29 29 LYS HG2 H 1 1.235 0.007 . 2 . . . . 27 LYS HG2 . 15633 1 306 . 1 1 29 29 LYS HG3 H 1 1.030 0.011 . 2 . . . . 27 LYS HG3 . 15633 1 307 . 1 1 29 29 LYS C C 13 174.716 0.1 . 1 . . . . 27 LYS C . 15633 1 308 . 1 1 29 29 LYS CA C 13 55.118 0.1 . 1 . . . . 27 LYS CA . 15633 1 309 . 1 1 29 29 LYS CB C 13 35.144 0.1 . 1 . . . . 27 LYS CB . 15633 1 310 . 1 1 29 29 LYS CD C 13 29.884 0.1 . 1 . . . . 27 LYS CD . 15633 1 311 . 1 1 29 29 LYS CE C 13 41.501 0.1 . 1 . . . . 27 LYS CE . 15633 1 312 . 1 1 29 29 LYS CG C 13 25.710 0.052 . 1 . . . . 27 LYS CG . 15633 1 313 . 1 1 29 29 LYS N N 15 123.299 0.1 . 1 . . . . 27 LYS N . 15633 1 314 . 1 1 30 30 ILE H H 1 9.140 0.005 . 1 . . . . 28 ILE H . 15633 1 315 . 1 1 30 30 ILE HA H 1 4.910 0.004 . 1 . . . . 28 ILE HA . 15633 1 316 . 1 1 30 30 ILE HB H 1 1.874 0.002 . 1 . . . . 28 ILE HB . 15633 1 317 . 1 1 30 30 ILE HD11 H 1 0.782 0.020 . 1 . . . . 28 ILE QD1 . 15633 1 318 . 1 1 30 30 ILE HD12 H 1 0.782 0.020 . 1 . . . . 28 ILE QD1 . 15633 1 319 . 1 1 30 30 ILE HD13 H 1 0.782 0.020 . 1 . . . . 28 ILE QD1 . 15633 1 320 . 1 1 30 30 ILE HG12 H 1 1.505 0.005 . 2 . . . . 28 ILE HG12 . 15633 1 321 . 1 1 30 30 ILE HG13 H 1 1.149 0.003 . 2 . . . . 28 ILE HG13 . 15633 1 322 . 1 1 30 30 ILE HG21 H 1 0.976 0.020 . 1 . . . . 28 ILE QG2 . 15633 1 323 . 1 1 30 30 ILE HG22 H 1 0.976 0.020 . 1 . . . . 28 ILE QG2 . 15633 1 324 . 1 1 30 30 ILE HG23 H 1 0.976 0.020 . 1 . . . . 28 ILE QG2 . 15633 1 325 . 1 1 30 30 ILE C C 13 176.970 0.1 . 1 . . . . 28 ILE C . 15633 1 326 . 1 1 30 30 ILE CA C 13 60.390 0.1 . 1 . . . . 28 ILE CA . 15633 1 327 . 1 1 30 30 ILE CB C 13 39.603 0.1 . 1 . . . . 28 ILE CB . 15633 1 328 . 1 1 30 30 ILE CD1 C 13 14.101 0.1 . 1 . . . . 28 ILE CD1 . 15633 1 329 . 1 1 30 30 ILE CG1 C 13 27.631 0.1 . 1 . . . . 28 ILE CG1 . 15633 1 330 . 1 1 30 30 ILE CG2 C 13 18.571 0.1 . 1 . . . . 28 ILE CG2 . 15633 1 331 . 1 1 30 30 ILE N N 15 123.823 0.1 . 1 . . . . 28 ILE N . 15633 1 332 . 1 1 31 31 LEU H H 1 8.866 0.005 . 1 . . . . 29 LEU H . 15633 1 333 . 1 1 31 31 LEU HA H 1 4.580 0.002 . 1 . . . . 29 LEU HA . 15633 1 334 . 1 1 31 31 LEU HB2 H 1 1.711 0.001 . 2 . . . . 29 LEU HB2 . 15633 1 335 . 1 1 31 31 LEU HB3 H 1 1.876 0.020 . 2 . . . . 29 LEU HB3 . 15633 1 336 . 1 1 31 31 LEU HD11 H 1 0.912 0.005 . 2 . . . . 29 LEU QD1 . 15633 1 337 . 1 1 31 31 LEU HD12 H 1 0.912 0.005 . 2 . . . . 29 LEU QD1 . 15633 1 338 . 1 1 31 31 LEU HD13 H 1 0.912 0.005 . 2 . . . . 29 LEU QD1 . 15633 1 339 . 1 1 31 31 LEU HD21 H 1 0.830 0.002 . 2 . . . . 29 LEU QD2 . 15633 1 340 . 1 1 31 31 LEU HD22 H 1 0.830 0.002 . 2 . . . . 29 LEU QD2 . 15633 1 341 . 1 1 31 31 LEU HD23 H 1 0.830 0.002 . 2 . . . . 29 LEU QD2 . 15633 1 342 . 1 1 31 31 LEU C C 13 175.975 0.1 . 1 . . . . 29 LEU C . 15633 1 343 . 1 1 31 31 LEU CA C 13 55.474 0.1 . 1 . . . . 29 LEU CA . 15633 1 344 . 1 1 31 31 LEU CB C 13 42.749 0.1 . 1 . . . . 29 LEU CB . 15633 1 345 . 1 1 31 31 LEU CD1 C 13 25.591 0.1 . 1 . . . . 29 LEU CD1 . 15633 1 346 . 1 1 31 31 LEU CD2 C 13 23.101 0.1 . 1 . . . . 29 LEU CD2 . 15633 1 347 . 1 1 31 31 LEU N N 15 128.835 0.1 . 1 . . . . 29 LEU N . 15633 1 348 . 1 1 32 32 ASN H H 1 8.211 0.020 . 1 . . . . 30 ASN H . 15633 1 349 . 1 1 32 32 ASN HA H 1 4.998 0.020 . 1 . . . . 30 ASN HA . 15633 1 350 . 1 1 32 32 ASN HB2 H 1 2.392 0.020 . 2 . . . . 30 ASN HB2 . 15633 1 351 . 1 1 32 32 ASN HB3 H 1 2.896 0.020 . 2 . . . . 30 ASN HB3 . 15633 1 352 . 1 1 32 32 ASN HD21 H 1 7.629 0.004 . 2 . . . . 30 ASN HD21 . 15633 1 353 . 1 1 32 32 ASN HD22 H 1 6.295 0.003 . 2 . . . . 30 ASN HD22 . 15633 1 354 . 1 1 32 32 ASN C C 13 174.658 0.1 . 1 . . . . 30 ASN C . 15633 1 355 . 1 1 32 32 ASN CA C 13 52.524 0.1 . 1 . . . . 30 ASN CA . 15633 1 356 . 1 1 32 32 ASN CB C 13 38.978 0.1 . 1 . . . . 30 ASN CB . 15633 1 357 . 1 1 32 32 ASN N N 15 120.696 0.1 . 1 . . . . 30 ASN N . 15633 1 358 . 1 1 32 32 ASN ND2 N 15 111.827 0.016 . 1 . . . . 30 ASN ND2 . 15633 1 359 . 1 1 33 33 THR H H 1 7.925 0.020 . 1 . . . . 31 THR H . 15633 1 360 . 1 1 33 33 THR HA H 1 4.784 0.003 . 1 . . . . 31 THR HA . 15633 1 361 . 1 1 33 33 THR HB H 1 4.159 0.004 . 1 . . . . 31 THR HB . 15633 1 362 . 1 1 33 33 THR HG21 H 1 1.210 0.004 . 1 . . . . 31 THR QG2 . 15633 1 363 . 1 1 33 33 THR HG22 H 1 1.210 0.004 . 1 . . . . 31 THR QG2 . 15633 1 364 . 1 1 33 33 THR HG23 H 1 1.210 0.004 . 1 . . . . 31 THR QG2 . 15633 1 365 . 1 1 33 33 THR CA C 13 58.046 0.1 . 1 . . . . 31 THR CA . 15633 1 366 . 1 1 33 33 THR CB C 13 70.341 0.1 . 1 . . . . 31 THR CB . 15633 1 367 . 1 1 33 33 THR CG2 C 13 22.130 0.1 . 1 . . . . 31 THR CG2 . 15633 1 368 . 1 1 33 33 THR N N 15 116.303 0.1 . 1 . . . . 31 THR N . 15633 1 369 . 1 1 34 34 PRO HA H 1 4.300 0.002 . 1 . . . . 32 PRO HA . 15633 1 370 . 1 1 34 34 PRO HB2 H 1 2.346 0.020 . 2 . . . . 32 PRO HB2 . 15633 1 371 . 1 1 34 34 PRO HB3 H 1 1.876 0.019 . 2 . . . . 32 PRO HB3 . 15633 1 372 . 1 1 34 34 PRO HD2 H 1 3.758 0.003 . 2 . . . . 32 PRO HD2 . 15633 1 373 . 1 1 34 34 PRO HD3 H 1 3.758 0.003 . 2 . . . . 32 PRO HD3 . 15633 1 374 . 1 1 34 34 PRO HG2 H 1 2.085 0.001 . 2 . . . . 32 PRO HG2 . 15633 1 375 . 1 1 34 34 PRO HG3 H 1 1.965 0.020 . 2 . . . . 32 PRO HG3 . 15633 1 376 . 1 1 34 34 PRO C C 13 176.765 0.1 . 1 . . . . 32 PRO C . 15633 1 377 . 1 1 34 34 PRO CA C 13 65.164 0.1 . 1 . . . . 32 PRO CA . 15633 1 378 . 1 1 34 34 PRO CB C 13 32.484 0.1 . 1 . . . . 32 PRO CB . 15633 1 379 . 1 1 34 34 PRO CD C 13 51.251 0.1 . 1 . . . . 32 PRO CD . 15633 1 380 . 1 1 34 34 PRO CG C 13 27.631 0.1 . 1 . . . . 32 PRO CG . 15633 1 381 . 1 1 35 35 ASN H H 1 8.294 0.003 . 1 . . . . 33 ASN H . 15633 1 382 . 1 1 35 35 ASN C C 13 174.541 0.1 . 1 . . . . 33 ASN C . 15633 1 383 . 1 1 35 35 ASN N N 15 120.212 0.082 . 1 . . . . 33 ASN N . 15633 1 384 . 1 1 36 36 CYS H H 1 7.561 0.008 . 1 . . . . 34 CYS H . 15633 1 385 . 1 1 36 36 CYS HA H 1 4.884 0.020 . 1 . . . . 34 CYS HA . 15633 1 386 . 1 1 36 36 CYS HB2 H 1 3.141 0.002 . 2 . . . . 34 CYS HB2 . 15633 1 387 . 1 1 36 36 CYS HB3 H 1 2.970 0.005 . 2 . . . . 34 CYS HB3 . 15633 1 388 . 1 1 36 36 CYS C C 13 173.838 0.1 . 1 . . . . 34 CYS C . 15633 1 389 . 1 1 36 36 CYS CA C 13 55.139 0.1 . 1 . . . . 34 CYS CA . 15633 1 390 . 1 1 36 36 CYS CB C 13 45.200 0.1 . 1 . . . . 34 CYS CB . 15633 1 391 . 1 1 36 36 CYS N N 15 116.986 0.040 . 1 . . . . 34 CYS N . 15633 1 392 . 1 1 37 37 ALA H H 1 8.520 0.020 . 1 . . . . 35 ALA H . 15633 1 393 . 1 1 37 37 ALA HA H 1 4.233 0.020 . 1 . . . . 35 ALA HA . 15633 1 394 . 1 1 37 37 ALA HB1 H 1 1.440 0.020 . 1 . . . . 35 ALA QB . 15633 1 395 . 1 1 37 37 ALA HB2 H 1 1.440 0.020 . 1 . . . . 35 ALA QB . 15633 1 396 . 1 1 37 37 ALA HB3 H 1 1.440 0.020 . 1 . . . . 35 ALA QB . 15633 1 397 . 1 1 37 37 ALA C C 13 176.326 0.1 . 1 . . . . 35 ALA C . 15633 1 398 . 1 1 37 37 ALA CA C 13 53.152 0.1 . 1 . . . . 35 ALA CA . 15633 1 399 . 1 1 37 37 ALA CB C 13 18.930 0.1 . 1 . . . . 35 ALA CB . 15633 1 400 . 1 1 37 37 ALA N N 15 125.167 0.1 . 1 . . . . 35 ALA N . 15633 1 401 . 1 1 38 38 CYS H H 1 8.343 0.020 . 1 . . . . 36 CYS H . 15633 1 402 . 1 1 38 38 CYS HA H 1 4.213 0.002 . 1 . . . . 36 CYS HA . 15633 1 403 . 1 1 38 38 CYS HB2 H 1 2.649 0.004 . 2 . . . . 36 CYS HB2 . 15633 1 404 . 1 1 38 38 CYS HB3 H 1 3.460 0.001 . 2 . . . . 36 CYS HB3 . 15633 1 405 . 1 1 38 38 CYS C C 13 173.589 0.1 . 1 . . . . 36 CYS C . 15633 1 406 . 1 1 38 38 CYS CA C 13 58.487 0.062 . 1 . . . . 36 CYS CA . 15633 1 407 . 1 1 38 38 CYS CB C 13 45.702 0.1 . 1 . . . . 36 CYS CB . 15633 1 408 . 1 1 38 38 CYS N N 15 118.786 0.1 . 1 . . . . 36 CYS N . 15633 1 409 . 1 1 39 39 GLN H H 1 8.988 0.005 . 1 . . . . 37 GLN H . 15633 1 410 . 1 1 39 39 GLN HA H 1 4.573 0.020 . 1 . . . . 37 GLN HA . 15633 1 411 . 1 1 39 39 GLN HB2 H 1 2.314 0.004 . 2 . . . . 37 GLN HB2 . 15633 1 412 . 1 1 39 39 GLN HB3 H 1 1.827 0.020 . 2 . . . . 37 GLN HB3 . 15633 1 413 . 1 1 39 39 GLN HE21 H 1 7.264 0.003 . 2 . . . . 37 GLN HE21 . 15633 1 414 . 1 1 39 39 GLN HE22 H 1 6.894 0.002 . 2 . . . . 37 GLN HE22 . 15633 1 415 . 1 1 39 39 GLN HG2 H 1 2.589 0.009 . 2 . . . . 37 GLN HG2 . 15633 1 416 . 1 1 39 39 GLN HG3 H 1 2.306 0.007 . 2 . . . . 37 GLN HG3 . 15633 1 417 . 1 1 39 39 GLN C C 13 173.545 0.1 . 1 . . . . 37 GLN C . 15633 1 418 . 1 1 39 39 GLN CA C 13 54.491 0.1 . 1 . . . . 37 GLN CA . 15633 1 419 . 1 1 39 39 GLN CB C 13 31.876 0.1 . 1 . . . . 37 GLN CB . 15633 1 420 . 1 1 39 39 GLN CG C 13 34.426 0.1 . 1 . . . . 37 GLN CG . 15633 1 421 . 1 1 39 39 GLN N N 15 128.825 0.1 . 1 . . . . 37 GLN N . 15633 1 422 . 1 1 39 39 GLN NE2 N 15 113.029 0.001 . 1 . . . . 37 GLN NE2 . 15633 1 423 . 1 1 40 40 ILE H H 1 8.967 0.020 . 1 . . . . 38 ILE H . 15633 1 424 . 1 1 40 40 ILE HA H 1 5.095 0.004 . 1 . . . . 38 ILE HA . 15633 1 425 . 1 1 40 40 ILE HB H 1 1.770 0.007 . 1 . . . . 38 ILE HB . 15633 1 426 . 1 1 40 40 ILE HD11 H 1 0.710 0.009 . 1 . . . . 38 ILE QD1 . 15633 1 427 . 1 1 40 40 ILE HD12 H 1 0.710 0.009 . 1 . . . . 38 ILE QD1 . 15633 1 428 . 1 1 40 40 ILE HD13 H 1 0.710 0.009 . 1 . . . . 38 ILE QD1 . 15633 1 429 . 1 1 40 40 ILE HG12 H 1 0.973 0.003 . 2 . . . . 38 ILE HG12 . 15633 1 430 . 1 1 40 40 ILE HG13 H 1 0.973 0.003 . 2 . . . . 38 ILE HG13 . 15633 1 431 . 1 1 40 40 ILE HG21 H 1 0.723 0.008 . 1 . . . . 38 ILE QG2 . 15633 1 432 . 1 1 40 40 ILE HG22 H 1 0.723 0.008 . 1 . . . . 38 ILE QG2 . 15633 1 433 . 1 1 40 40 ILE HG23 H 1 0.723 0.008 . 1 . . . . 38 ILE QG2 . 15633 1 434 . 1 1 40 40 ILE C C 13 174.336 0.1 . 1 . . . . 38 ILE C . 15633 1 435 . 1 1 40 40 ILE CA C 13 60.620 0.1 . 1 . . . . 38 ILE CA . 15633 1 436 . 1 1 40 40 ILE CB C 13 40.235 0.1 . 1 . . . . 38 ILE CB . 15633 1 437 . 1 1 40 40 ILE CD1 C 13 14.101 0.1 . 1 . . . . 38 ILE CD1 . 15633 1 438 . 1 1 40 40 ILE CG1 C 13 28.243 0.1 . 1 . . . . 38 ILE CG1 . 15633 1 439 . 1 1 40 40 ILE CG2 C 13 19.278 0.1 . 1 . . . . 38 ILE CG2 . 15633 1 440 . 1 1 40 40 ILE N N 15 124.006 0.1 . 1 . . . . 38 ILE N . 15633 1 441 . 1 1 41 41 VAL H H 1 9.130 0.009 . 1 . . . . 39 VAL H . 15633 1 442 . 1 1 41 41 VAL HA H 1 4.926 0.008 . 1 . . . . 39 VAL HA . 15633 1 443 . 1 1 41 41 VAL HB H 1 1.795 0.002 . 1 . . . . 39 VAL HB . 15633 1 444 . 1 1 41 41 VAL HG11 H 1 0.905 0.003 . 2 . . . . 39 VAL QG1 . 15633 1 445 . 1 1 41 41 VAL HG12 H 1 0.905 0.003 . 2 . . . . 39 VAL QG1 . 15633 1 446 . 1 1 41 41 VAL HG13 H 1 0.905 0.003 . 2 . . . . 39 VAL QG1 . 15633 1 447 . 1 1 41 41 VAL HG21 H 1 0.842 0.007 . 2 . . . . 39 VAL QG2 . 15633 1 448 . 1 1 41 41 VAL HG22 H 1 0.842 0.007 . 2 . . . . 39 VAL QG2 . 15633 1 449 . 1 1 41 41 VAL HG23 H 1 0.842 0.007 . 2 . . . . 39 VAL QG2 . 15633 1 450 . 1 1 41 41 VAL C C 13 175.492 0.1 . 1 . . . . 39 VAL C . 15633 1 451 . 1 1 41 41 VAL CA C 13 59.993 0.1 . 1 . . . . 39 VAL CA . 15633 1 452 . 1 1 41 41 VAL CB C 13 35.270 0.1 . 1 . . . . 39 VAL CB . 15633 1 453 . 1 1 41 41 VAL CG1 C 13 21.483 0.1 . 1 . . . . 39 VAL CG1 . 15633 1 454 . 1 1 41 41 VAL CG2 C 13 22.454 0.1 . 1 . . . . 39 VAL CG2 . 15633 1 455 . 1 1 41 41 VAL N N 15 125.973 0.1 . 1 . . . . 39 VAL N . 15633 1 456 . 1 1 42 42 ALA H H 1 9.558 0.005 . 1 . . . . 40 ALA H . 15633 1 457 . 1 1 42 42 ALA HA H 1 5.123 0.008 . 1 . . . . 40 ALA HA . 15633 1 458 . 1 1 42 42 ALA HB1 H 1 1.319 0.006 . 1 . . . . 40 ALA QB . 15633 1 459 . 1 1 42 42 ALA HB2 H 1 1.319 0.006 . 1 . . . . 40 ALA QB . 15633 1 460 . 1 1 42 42 ALA HB3 H 1 1.319 0.006 . 1 . . . . 40 ALA QB . 15633 1 461 . 1 1 42 42 ALA C C 13 175.931 0.1 . 1 . . . . 40 ALA C . 15633 1 462 . 1 1 42 42 ALA CA C 13 50.558 0.1 . 1 . . . . 40 ALA CA . 15633 1 463 . 1 1 42 42 ALA CB C 13 22.072 0.1 . 1 . . . . 40 ALA CB . 15633 1 464 . 1 1 42 42 ALA N N 15 128.264 0.1 . 1 . . . . 40 ALA N . 15633 1 465 . 1 1 43 43 ARG H H 1 7.707 0.008 . 1 . . . . 41 ARG H . 15633 1 466 . 1 1 43 43 ARG HA H 1 4.966 0.004 . 1 . . . . 41 ARG HA . 15633 1 467 . 1 1 43 43 ARG HB2 H 1 1.434 0.020 . 2 . . . . 41 ARG HB2 . 15633 1 468 . 1 1 43 43 ARG HB3 H 1 0.944 0.007 . 2 . . . . 41 ARG HB3 . 15633 1 469 . 1 1 43 43 ARG HD2 H 1 3.081 0.003 . 2 . . . . 41 ARG HD2 . 15633 1 470 . 1 1 43 43 ARG HD3 H 1 3.081 0.003 . 2 . . . . 41 ARG HD3 . 15633 1 471 . 1 1 43 43 ARG HG2 H 1 1.506 0.008 . 2 . . . . 41 ARG HG2 . 15633 1 472 . 1 1 43 43 ARG HG3 H 1 1.379 0.007 . 2 . . . . 41 ARG HG3 . 15633 1 473 . 1 1 43 43 ARG C C 13 175.477 0.1 . 1 . . . . 41 ARG C . 15633 1 474 . 1 1 43 43 ARG CA C 13 54.000 0.1 . 1 . . . . 41 ARG CA . 15633 1 475 . 1 1 43 43 ARG CB C 13 31.122 0.1 . 1 . . . . 41 ARG CB . 15633 1 476 . 1 1 43 43 ARG CD C 13 42.400 0.043 . 1 . . . . 41 ARG CD . 15633 1 477 . 1 1 43 43 ARG CG C 13 27.307 0.1 . 1 . . . . 41 ARG CG . 15633 1 478 . 1 1 43 43 ARG N N 15 121.647 0.1 . 1 . . . . 41 ARG N . 15633 1 479 . 1 1 44 44 LEU H H 1 9.183 0.007 . 1 . . . . 42 LEU H . 15633 1 480 . 1 1 44 44 LEU HA H 1 5.009 0.007 . 1 . . . . 42 LEU HA . 15633 1 481 . 1 1 44 44 LEU HB2 H 1 2.180 0.002 . 2 . . . . 42 LEU HB2 . 15633 1 482 . 1 1 44 44 LEU HB3 H 1 1.771 0.008 . 2 . . . . 42 LEU HB3 . 15633 1 483 . 1 1 44 44 LEU HD11 H 1 1.005 0.007 . 2 . . . . 42 LEU QD1 . 15633 1 484 . 1 1 44 44 LEU HD12 H 1 1.005 0.007 . 2 . . . . 42 LEU QD1 . 15633 1 485 . 1 1 44 44 LEU HD13 H 1 1.005 0.007 . 2 . . . . 42 LEU QD1 . 15633 1 486 . 1 1 44 44 LEU HD21 H 1 0.775 0.001 . 2 . . . . 42 LEU QD2 . 15633 1 487 . 1 1 44 44 LEU HD22 H 1 0.775 0.001 . 2 . . . . 42 LEU QD2 . 15633 1 488 . 1 1 44 44 LEU HD23 H 1 0.775 0.001 . 2 . . . . 42 LEU QD2 . 15633 1 489 . 1 1 44 44 LEU HG H 1 1.787 0.006 . 1 . . . . 42 LEU HG . 15633 1 490 . 1 1 44 44 LEU C C 13 177.848 0.1 . 1 . . . . 42 LEU C . 15633 1 491 . 1 1 44 44 LEU CA C 13 54.596 0.1 . 1 . . . . 42 LEU CA . 15633 1 492 . 1 1 44 44 LEU CB C 13 41.806 0.1 . 1 . . . . 42 LEU CB . 15633 1 493 . 1 1 44 44 LEU CD1 C 13 25.843 0.1 . 1 . . . . 42 LEU CD1 . 15633 1 494 . 1 1 44 44 LEU CD2 C 13 23.192 0.1 . 1 . . . . 42 LEU CD2 . 15633 1 495 . 1 1 44 44 LEU CG C 13 27.716 0.042 . 1 . . . . 42 LEU CG . 15633 1 496 . 1 1 44 44 LEU N N 15 128.821 0.1 . 1 . . . . 42 LEU N . 15633 1 497 . 1 1 45 45 LYS H H 1 8.449 0.016 . 1 . . . . 43 LYS H . 15633 1 498 . 1 1 45 45 LYS N N 15 119.659 0.1 . 1 . . . . 43 LYS N . 15633 1 499 . 1 1 48 48 ASN HA H 1 4.716 0.020 . 1 . . . . 46 ASN HA . 15633 1 500 . 1 1 48 48 ASN HB2 H 1 3.138 0.020 . 2 . . . . 46 ASN HB2 . 15633 1 501 . 1 1 48 48 ASN HB3 H 1 2.742 0.020 . 2 . . . . 46 ASN HB3 . 15633 1 502 . 1 1 48 48 ASN HD21 H 1 7.628 0.002 . 2 . . . . 46 ASN HD21 . 15633 1 503 . 1 1 48 48 ASN HD22 H 1 6.966 0.001 . 2 . . . . 46 ASN HD22 . 15633 1 504 . 1 1 48 48 ASN C C 13 175.155 0.1 . 1 . . . . 46 ASN C . 15633 1 505 . 1 1 48 48 ASN CA C 13 54.616 0.1 . 1 . . . . 46 ASN CA . 15633 1 506 . 1 1 48 48 ASN CB C 13 39.292 0.1 . 1 . . . . 46 ASN CB . 15633 1 507 . 1 1 48 48 ASN ND2 N 15 113.245 0.1 . 1 . . . . 46 ASN ND2 . 15633 1 508 . 1 1 49 49 ARG H H 1 7.926 0.005 . 1 . . . . 47 ARG H . 15633 1 509 . 1 1 49 49 ARG HA H 1 4.274 0.020 . 1 . . . . 47 ARG HA . 15633 1 510 . 1 1 49 49 ARG HB2 H 1 1.767 0.001 . 2 . . . . 47 ARG HB2 . 15633 1 511 . 1 1 49 49 ARG HB3 H 1 1.767 0.001 . 2 . . . . 47 ARG HB3 . 15633 1 512 . 1 1 49 49 ARG HD2 H 1 3.238 0.020 . 2 . . . . 47 ARG HD2 . 15633 1 513 . 1 1 49 49 ARG HD3 H 1 3.173 0.001 . 2 . . . . 47 ARG HD3 . 15633 1 514 . 1 1 49 49 ARG HG2 H 1 1.650 0.001 . 2 . . . . 47 ARG HG2 . 15633 1 515 . 1 1 49 49 ARG HG3 H 1 1.573 0.020 . 2 . . . . 47 ARG HG3 . 15633 1 516 . 1 1 49 49 ARG C C 13 175.433 0.1 . 1 . . . . 47 ARG C . 15633 1 517 . 1 1 49 49 ARG CA C 13 57.252 0.1 . 1 . . . . 47 ARG CA . 15633 1 518 . 1 1 49 49 ARG CB C 13 32.128 0.1 . 1 . . . . 47 ARG CB . 15633 1 519 . 1 1 49 49 ARG CD C 13 43.900 0.1 . 1 . . . . 47 ARG CD . 15633 1 520 . 1 1 49 49 ARG CG C 13 28.278 0.1 . 1 . . . . 47 ARG CG . 15633 1 521 . 1 1 49 49 ARG N N 15 120.086 0.1 . 1 . . . . 47 ARG N . 15633 1 522 . 1 1 50 50 GLN H H 1 8.542 0.010 . 1 . . . . 48 GLN H . 15633 1 523 . 1 1 50 50 GLN HA H 1 5.478 0.003 . 1 . . . . 48 GLN HA . 15633 1 524 . 1 1 50 50 GLN HB2 H 1 1.876 0.001 . 2 . . . . 48 GLN HB2 . 15633 1 525 . 1 1 50 50 GLN HB3 H 1 1.876 0.001 . 2 . . . . 48 GLN HB3 . 15633 1 526 . 1 1 50 50 GLN HG2 H 1 2.356 0.002 . 2 . . . . 48 GLN HG2 . 15633 1 527 . 1 1 50 50 GLN HG3 H 1 1.973 0.020 . 2 . . . . 48 GLN HG3 . 15633 1 528 . 1 1 50 50 GLN C C 13 175.697 0.1 . 1 . . . . 48 GLN C . 15633 1 529 . 1 1 50 50 GLN CA C 13 55.077 0.1 . 1 . . . . 48 GLN CA . 15633 1 530 . 1 1 50 50 GLN CB C 13 31.751 0.1 . 1 . . . . 48 GLN CB . 15633 1 531 . 1 1 50 50 GLN CG C 13 35.692 0.1 . 1 . . . . 48 GLN CG . 15633 1 532 . 1 1 50 50 GLN N N 15 120.774 0.1 . 1 . . . . 48 GLN N . 15633 1 533 . 1 1 51 51 VAL H H 1 8.710 0.009 . 1 . . . . 49 VAL H . 15633 1 534 . 1 1 51 51 VAL HA H 1 4.781 0.001 . 1 . . . . 49 VAL HA . 15633 1 535 . 1 1 51 51 VAL HB H 1 2.177 0.020 . 1 . . . . 49 VAL HB . 15633 1 536 . 1 1 51 51 VAL HG11 H 1 0.940 0.009 . 2 . . . . 49 VAL QG1 . 15633 1 537 . 1 1 51 51 VAL HG12 H 1 0.940 0.009 . 2 . . . . 49 VAL QG1 . 15633 1 538 . 1 1 51 51 VAL HG13 H 1 0.940 0.009 . 2 . . . . 49 VAL QG1 . 15633 1 539 . 1 1 51 51 VAL HG21 H 1 0.915 0.002 . 2 . . . . 49 VAL QG2 . 15633 1 540 . 1 1 51 51 VAL HG22 H 1 0.915 0.002 . 2 . . . . 49 VAL QG2 . 15633 1 541 . 1 1 51 51 VAL HG23 H 1 0.915 0.002 . 2 . . . . 49 VAL QG2 . 15633 1 542 . 1 1 51 51 VAL C C 13 175.185 0.1 . 1 . . . . 49 VAL C . 15633 1 543 . 1 1 51 51 VAL CA C 13 59.344 0.1 . 1 . . . . 49 VAL CA . 15633 1 544 . 1 1 51 51 VAL CB C 13 36.024 0.1 . 1 . . . . 49 VAL CB . 15633 1 545 . 1 1 51 51 VAL CG1 C 13 21.803 0.1 . 1 . . . . 49 VAL CG1 . 15633 1 546 . 1 1 51 51 VAL CG2 C 13 19.783 0.1 . 1 . . . . 49 VAL CG2 . 15633 1 547 . 1 1 51 51 VAL N N 15 117.392 0.1 . 1 . . . . 49 VAL N . 15633 1 548 . 1 1 52 52 CYS H H 1 9.184 0.012 . 1 . . . . 50 CYS H . 15633 1 549 . 1 1 52 52 CYS HA H 1 5.313 0.007 . 1 . . . . 50 CYS HA . 15633 1 550 . 1 1 52 52 CYS HB2 H 1 3.631 0.003 . 2 . . . . 50 CYS HB2 . 15633 1 551 . 1 1 52 52 CYS HB3 H 1 2.996 0.002 . 2 . . . . 50 CYS HB3 . 15633 1 552 . 1 1 52 52 CYS C C 13 174.380 0.1 . 1 . . . . 50 CYS C . 15633 1 553 . 1 1 52 52 CYS CA C 13 57.984 0.1 . 1 . . . . 50 CYS CA . 15633 1 554 . 1 1 52 52 CYS CB C 13 42.661 0.115 . 1 . . . . 50 CYS CB . 15633 1 555 . 1 1 52 52 CYS N N 15 124.238 0.1 . 1 . . . . 50 CYS N . 15633 1 556 . 1 1 53 53 ILE H H 1 8.434 0.006 . 1 . . . . 51 ILE H . 15633 1 557 . 1 1 53 53 ILE HA H 1 4.928 0.010 . 1 . . . . 51 ILE HA . 15633 1 558 . 1 1 53 53 ILE HB H 1 1.540 0.006 . 1 . . . . 51 ILE HB . 15633 1 559 . 1 1 53 53 ILE HD11 H 1 0.743 0.003 . 1 . . . . 51 ILE QD1 . 15633 1 560 . 1 1 53 53 ILE HD12 H 1 0.743 0.003 . 1 . . . . 51 ILE QD1 . 15633 1 561 . 1 1 53 53 ILE HD13 H 1 0.743 0.003 . 1 . . . . 51 ILE QD1 . 15633 1 562 . 1 1 53 53 ILE HG12 H 1 1.334 0.003 . 2 . . . . 51 ILE HG12 . 15633 1 563 . 1 1 53 53 ILE HG13 H 1 1.166 0.007 . 2 . . . . 51 ILE HG13 . 15633 1 564 . 1 1 53 53 ILE HG21 H 1 0.740 0.008 . 1 . . . . 51 ILE QG2 . 15633 1 565 . 1 1 53 53 ILE HG22 H 1 0.740 0.008 . 1 . . . . 51 ILE QG2 . 15633 1 566 . 1 1 53 53 ILE HG23 H 1 0.740 0.008 . 1 . . . . 51 ILE QG2 . 15633 1 567 . 1 1 53 53 ILE C C 13 172.931 0.1 . 1 . . . . 51 ILE C . 15633 1 568 . 1 1 53 53 ILE CA C 13 58.675 0.1 . 1 . . . . 51 ILE CA . 15633 1 569 . 1 1 53 53 ILE CB C 13 42.309 0.1 . 1 . . . . 51 ILE CB . 15633 1 570 . 1 1 53 53 ILE CD1 C 13 14.858 0.1 . 1 . . . . 51 ILE CD1 . 15633 1 571 . 1 1 53 53 ILE CG1 C 13 27.733 0.021 . 1 . . . . 51 ILE CG1 . 15633 1 572 . 1 1 53 53 ILE CG2 C 13 18.141 0.1 . 1 . . . . 51 ILE CG2 . 15633 1 573 . 1 1 53 53 ILE N N 15 122.034 0.1 . 1 . . . . 51 ILE N . 15633 1 574 . 1 1 54 54 ASP H H 1 7.702 0.006 . 1 . . . . 52 ASP H . 15633 1 575 . 1 1 54 54 ASP HA H 1 3.426 0.020 . 1 . . . . 52 ASP HA . 15633 1 576 . 1 1 54 54 ASP HB2 H 1 2.662 0.020 . 2 . . . . 52 ASP HB2 . 15633 1 577 . 1 1 54 54 ASP HB3 H 1 2.203 0.020 . 2 . . . . 52 ASP HB3 . 15633 1 578 . 1 1 54 54 ASP CA C 13 51.251 0.1 . 1 . . . . 52 ASP CA . 15633 1 579 . 1 1 54 54 ASP CB C 13 42.515 0.1 . 1 . . . . 52 ASP CB . 15633 1 580 . 1 1 54 54 ASP N N 15 125.815 0.1 . 1 . . . . 52 ASP N . 15633 1 581 . 1 1 55 55 PRO HA H 1 3.986 0.002 . 1 . . . . 53 PRO HA . 15633 1 582 . 1 1 55 55 PRO HB2 H 1 2.172 0.002 . 2 . . . . 53 PRO HB2 . 15633 1 583 . 1 1 55 55 PRO HB3 H 1 1.889 0.003 . 2 . . . . 53 PRO HB3 . 15633 1 584 . 1 1 55 55 PRO HD2 H 1 3.426 0.020 . 2 . . . . 53 PRO HD2 . 15633 1 585 . 1 1 55 55 PRO HD3 H 1 3.426 0.020 . 2 . . . . 53 PRO HD3 . 15633 1 586 . 1 1 55 55 PRO HG2 H 1 1.895 0.020 . 2 . . . . 53 PRO HG2 . 15633 1 587 . 1 1 55 55 PRO HG3 H 1 1.794 0.005 . 2 . . . . 53 PRO HG3 . 15633 1 588 . 1 1 55 55 PRO C C 13 176.034 0.1 . 1 . . . . 53 PRO C . 15633 1 589 . 1 1 55 55 PRO CA C 13 63.947 0.1 . 1 . . . . 53 PRO CA . 15633 1 590 . 1 1 55 55 PRO CB C 13 33.000 0.1 . 1 . . . . 53 PRO CB . 15633 1 591 . 1 1 55 55 PRO CD C 13 51.251 0.1 . 1 . . . . 53 PRO CD . 15633 1 592 . 1 1 55 55 PRO CG C 13 27.643 0.033 . 1 . . . . 53 PRO CG . 15633 1 593 . 1 1 56 56 LYS H H 1 7.889 0.008 . 1 . . . . 54 LYS H . 15633 1 594 . 1 1 56 56 LYS HA H 1 3.993 0.001 . 1 . . . . 54 LYS HA . 15633 1 595 . 1 1 56 56 LYS HB2 H 1 1.760 0.001 . 2 . . . . 54 LYS HB2 . 15633 1 596 . 1 1 56 56 LYS HB3 H 1 1.760 0.001 . 2 . . . . 54 LYS HB3 . 15633 1 597 . 1 1 56 56 LYS HD2 H 1 1.682 0.020 . 2 . . . . 54 LYS HD2 . 15633 1 598 . 1 1 56 56 LYS HD3 H 1 1.682 0.020 . 2 . . . . 54 LYS HD3 . 15633 1 599 . 1 1 56 56 LYS HE2 H 1 3.019 0.020 . 2 . . . . 54 LYS HE2 . 15633 1 600 . 1 1 56 56 LYS HE3 H 1 3.019 0.020 . 2 . . . . 54 LYS HE3 . 15633 1 601 . 1 1 56 56 LYS HG2 H 1 1.408 0.002 . 2 . . . . 54 LYS HG2 . 15633 1 602 . 1 1 56 56 LYS HG3 H 1 1.333 0.020 . 2 . . . . 54 LYS HG3 . 15633 1 603 . 1 1 56 56 LYS C C 13 177.922 0.1 . 1 . . . . 54 LYS C . 15633 1 604 . 1 1 56 56 LYS CA C 13 56.729 0.1 . 1 . . . . 54 LYS CA . 15633 1 605 . 1 1 56 56 LYS CB C 13 31.751 0.1 . 1 . . . . 54 LYS CB . 15633 1 606 . 1 1 56 56 LYS CD C 13 29.000 0.1 . 1 . . . . 54 LYS CD . 15633 1 607 . 1 1 56 56 LYS CE C 13 41.753 0.1 . 1 . . . . 54 LYS CE . 15633 1 608 . 1 1 56 56 LYS CG C 13 25.212 0.1 . 1 . . . . 54 LYS CG . 15633 1 609 . 1 1 56 56 LYS N N 15 112.456 0.1 . 1 . . . . 54 LYS N . 15633 1 610 . 1 1 57 57 LEU H H 1 7.157 0.008 . 1 . . . . 55 LEU H . 15633 1 611 . 1 1 57 57 LEU HA H 1 4.040 0.020 . 1 . . . . 55 LEU HA . 15633 1 612 . 1 1 57 57 LEU HB2 H 1 1.246 0.002 . 2 . . . . 55 LEU HB2 . 15633 1 613 . 1 1 57 57 LEU HB3 H 1 1.064 0.004 . 2 . . . . 55 LEU HB3 . 15633 1 614 . 1 1 57 57 LEU HD11 H 1 1.068 0.004 . 2 . . . . 55 LEU QD1 . 15633 1 615 . 1 1 57 57 LEU HD12 H 1 1.068 0.004 . 2 . . . . 55 LEU QD1 . 15633 1 616 . 1 1 57 57 LEU HD13 H 1 1.068 0.004 . 2 . . . . 55 LEU QD1 . 15633 1 617 . 1 1 57 57 LEU HD21 H 1 1.060 0.003 . 2 . . . . 55 LEU QD2 . 15633 1 618 . 1 1 57 57 LEU HD22 H 1 1.060 0.003 . 2 . . . . 55 LEU QD2 . 15633 1 619 . 1 1 57 57 LEU HD23 H 1 1.060 0.003 . 2 . . . . 55 LEU QD2 . 15633 1 620 . 1 1 57 57 LEU HG H 1 1.907 0.008 . 1 . . . . 55 LEU HG . 15633 1 621 . 1 1 57 57 LEU C C 13 179.268 0.1 . 1 . . . . 55 LEU C . 15633 1 622 . 1 1 57 57 LEU CA C 13 55.997 0.1 . 1 . . . . 55 LEU CA . 15633 1 623 . 1 1 57 57 LEU CB C 13 42.309 0.1 . 1 . . . . 55 LEU CB . 15633 1 624 . 1 1 57 57 LEU CD1 C 13 25.717 0.1 . 1 . . . . 55 LEU CD1 . 15633 1 625 . 1 1 57 57 LEU CD2 C 13 23.318 0.1 . 1 . . . . 55 LEU CD2 . 15633 1 626 . 1 1 57 57 LEU CG C 13 26.878 0.050 . 1 . . . . 55 LEU CG . 15633 1 627 . 1 1 57 57 LEU N N 15 120.452 0.1 . 1 . . . . 55 LEU N . 15633 1 628 . 1 1 58 58 LYS H H 1 8.731 0.004 . 1 . . . . 56 LYS H . 15633 1 629 . 1 1 58 58 LYS HA H 1 3.913 0.005 . 1 . . . . 56 LYS HA . 15633 1 630 . 1 1 58 58 LYS HB2 H 1 2.018 0.020 . 2 . . . . 56 LYS HB2 . 15633 1 631 . 1 1 58 58 LYS HB3 H 1 2.018 0.020 . 2 . . . . 56 LYS HB3 . 15633 1 632 . 1 1 58 58 LYS HD2 H 1 1.801 0.003 . 2 . . . . 56 LYS HD2 . 15633 1 633 . 1 1 58 58 LYS HD3 H 1 1.801 0.003 . 2 . . . . 56 LYS HD3 . 15633 1 634 . 1 1 58 58 LYS HE2 H 1 3.080 0.010 . 2 . . . . 56 LYS HE2 . 15633 1 635 . 1 1 58 58 LYS HE3 H 1 3.080 0.010 . 2 . . . . 56 LYS HE3 . 15633 1 636 . 1 1 58 58 LYS HG2 H 1 1.578 0.006 . 2 . . . . 56 LYS HG2 . 15633 1 637 . 1 1 58 58 LYS HG3 H 1 1.578 0.006 . 2 . . . . 56 LYS HG3 . 15633 1 638 . 1 1 58 58 LYS C C 13 178.917 0.1 . 1 . . . . 56 LYS C . 15633 1 639 . 1 1 58 58 LYS CA C 13 60.202 0.1 . 1 . . . . 56 LYS CA . 15633 1 640 . 1 1 58 58 LYS CB C 13 32.253 0.1 . 1 . . . . 56 LYS CB . 15633 1 641 . 1 1 58 58 LYS CD C 13 29.379 0.1 . 1 . . . . 56 LYS CD . 15633 1 642 . 1 1 58 58 LYS CE C 13 42.515 0.1 . 1 . . . . 56 LYS CE . 15633 1 643 . 1 1 58 58 LYS CG C 13 25.086 0.1 . 1 . . . . 56 LYS CG . 15633 1 644 . 1 1 58 58 LYS N N 15 125.307 0.1 . 1 . . . . 56 LYS N . 15633 1 645 . 1 1 59 59 TRP H H 1 7.884 0.020 . 1 . . . . 57 TRP H . 15633 1 646 . 1 1 59 59 TRP HA H 1 4.637 0.002 . 1 . . . . 57 TRP HA . 15633 1 647 . 1 1 59 59 TRP HB2 H 1 3.628 0.006 . 2 . . . . 57 TRP HB2 . 15633 1 648 . 1 1 59 59 TRP HB3 H 1 3.298 0.001 . 2 . . . . 57 TRP HB3 . 15633 1 649 . 1 1 59 59 TRP HD1 H 1 7.734 0.005 . 1 . . . . 57 TRP HD1 . 15633 1 650 . 1 1 59 59 TRP HE3 H 1 7.381 0.005 . 1 . . . . 57 TRP HE3 . 15633 1 651 . 1 1 59 59 TRP HH2 H 1 6.689 0.010 . 1 . . . . 57 TRP HH2 . 15633 1 652 . 1 1 59 59 TRP HZ2 H 1 7.020 0.009 . 1 . . . . 57 TRP HZ2 . 15633 1 653 . 1 1 59 59 TRP HZ3 H 1 6.629 0.004 . 1 . . . . 57 TRP HZ3 . 15633 1 654 . 1 1 59 59 TRP C C 13 178.829 0.1 . 1 . . . . 57 TRP C . 15633 1 655 . 1 1 59 59 TRP CA C 13 58.779 0.1 . 1 . . . . 57 TRP CA . 15633 1 656 . 1 1 59 59 TRP CB C 13 27.854 0.1 . 1 . . . . 57 TRP CB . 15633 1 657 . 1 1 59 59 TRP CD1 C 13 128.680 0.1 . 1 . . . . 57 TRP CD1 . 15633 1 658 . 1 1 59 59 TRP CE3 C 13 121.176 0.1 . 1 . . . . 57 TRP CE3 . 15633 1 659 . 1 1 59 59 TRP CH2 C 13 124.023 0.1 . 1 . . . . 57 TRP CH2 . 15633 1 660 . 1 1 59 59 TRP CZ2 C 13 113.929 0.1 . 1 . . . . 57 TRP CZ2 . 15633 1 661 . 1 1 59 59 TRP CZ3 C 13 121.176 0.1 . 1 . . . . 57 TRP CZ3 . 15633 1 662 . 1 1 59 59 TRP N N 15 113.503 0.1 . 1 . . . . 57 TRP N . 15633 1 663 . 1 1 60 60 ILE H H 1 6.449 0.003 . 1 . . . . 58 ILE H . 15633 1 664 . 1 1 60 60 ILE HA H 1 3.284 0.006 . 1 . . . . 58 ILE HA . 15633 1 665 . 1 1 60 60 ILE HB H 1 1.770 0.005 . 1 . . . . 58 ILE HB . 15633 1 666 . 1 1 60 60 ILE HD11 H 1 0.091 0.007 . 1 . . . . 58 ILE QD1 . 15633 1 667 . 1 1 60 60 ILE HD12 H 1 0.091 0.007 . 1 . . . . 58 ILE QD1 . 15633 1 668 . 1 1 60 60 ILE HD13 H 1 0.091 0.007 . 1 . . . . 58 ILE QD1 . 15633 1 669 . 1 1 60 60 ILE HG12 H 1 -0.417 0.004 . 2 . . . . 58 ILE HG12 . 15633 1 670 . 1 1 60 60 ILE HG13 H 1 0.111 0.012 . 2 . . . . 58 ILE HG13 . 15633 1 671 . 1 1 60 60 ILE HG21 H 1 0.521 0.008 . 1 . . . . 58 ILE QG2 . 15633 1 672 . 1 1 60 60 ILE HG22 H 1 0.521 0.008 . 1 . . . . 58 ILE QG2 . 15633 1 673 . 1 1 60 60 ILE HG23 H 1 0.521 0.008 . 1 . . . . 58 ILE QG2 . 15633 1 674 . 1 1 60 60 ILE C C 13 177.687 0.1 . 1 . . . . 58 ILE C . 15633 1 675 . 1 1 60 60 ILE CA C 13 64.177 0.1 . 1 . . . . 58 ILE CA . 15633 1 676 . 1 1 60 60 ILE CB C 13 35.710 0.1 . 1 . . . . 58 ILE CB . 15633 1 677 . 1 1 60 60 ILE CD1 C 13 13.090 0.1 . 1 . . . . 58 ILE CD1 . 15633 1 678 . 1 1 60 60 ILE CG1 C 13 26.854 0.1 . 1 . . . . 58 ILE CG1 . 15633 1 679 . 1 1 60 60 ILE CG2 C 13 17.131 0.1 . 1 . . . . 58 ILE CG2 . 15633 1 680 . 1 1 60 60 ILE N N 15 124.379 0.1 . 1 . . . . 58 ILE N . 15633 1 681 . 1 1 61 61 GLN H H 1 7.646 0.005 . 1 . . . . 59 GLN H . 15633 1 682 . 1 1 61 61 GLN HA H 1 3.738 0.003 . 1 . . . . 59 GLN HA . 15633 1 683 . 1 1 61 61 GLN HB2 H 1 2.266 0.006 . 2 . . . . 59 GLN HB2 . 15633 1 684 . 1 1 61 61 GLN HB3 H 1 2.208 0.020 . 2 . . . . 59 GLN HB3 . 15633 1 685 . 1 1 61 61 GLN HE21 H 1 7.984 0.003 . 2 . . . . 59 GLN HE21 . 15633 1 686 . 1 1 61 61 GLN HE22 H 1 7.127 0.002 . 2 . . . . 59 GLN HE22 . 15633 1 687 . 1 1 61 61 GLN HG2 H 1 2.380 0.020 . 2 . . . . 59 GLN HG2 . 15633 1 688 . 1 1 61 61 GLN HG3 H 1 2.380 0.020 . 2 . . . . 59 GLN HG3 . 15633 1 689 . 1 1 61 61 GLN C C 13 178.361 0.1 . 1 . . . . 59 GLN C . 15633 1 690 . 1 1 61 61 GLN CA C 13 59.302 0.1 . 1 . . . . 59 GLN CA . 15633 1 691 . 1 1 61 61 GLN CB C 13 28.357 0.1 . 1 . . . . 59 GLN CB . 15633 1 692 . 1 1 61 61 GLN CG C 13 34.051 0.1 . 1 . . . . 59 GLN CG . 15633 1 693 . 1 1 61 61 GLN N N 15 118.966 0.1 . 1 . . . . 59 GLN N . 15633 1 694 . 1 1 61 61 GLN NE2 N 15 115.755 0.001 . 1 . . . . 59 GLN NE2 . 15633 1 695 . 1 1 62 62 GLU H H 1 8.075 0.005 . 1 . . . . 60 GLU H . 15633 1 696 . 1 1 62 62 GLU HA H 1 4.076 0.003 . 1 . . . . 60 GLU HA . 15633 1 697 . 1 1 62 62 GLU HB2 H 1 2.250 0.012 . 2 . . . . 60 GLU HB2 . 15633 1 698 . 1 1 62 62 GLU HB3 H 1 2.101 0.007 . 2 . . . . 60 GLU HB3 . 15633 1 699 . 1 1 62 62 GLU HG2 H 1 2.546 0.003 . 2 . . . . 60 GLU HG2 . 15633 1 700 . 1 1 62 62 GLU HG3 H 1 2.270 0.009 . 2 . . . . 60 GLU HG3 . 15633 1 701 . 1 1 62 62 GLU C C 13 179.019 0.1 . 1 . . . . 60 GLU C . 15633 1 702 . 1 1 62 62 GLU CA C 13 59.637 0.1 . 1 . . . . 60 GLU CA . 15633 1 703 . 1 1 62 62 GLU CB C 13 30.368 0.1 . 1 . . . . 60 GLU CB . 15633 1 704 . 1 1 62 62 GLU CG C 13 37.019 0.060 . 1 . . . . 60 GLU CG . 15633 1 705 . 1 1 62 62 GLU N N 15 117.105 0.1 . 1 . . . . 60 GLU N . 15633 1 706 . 1 1 63 63 TYR H H 1 7.922 0.008 . 1 . . . . 61 TYR H . 15633 1 707 . 1 1 63 63 TYR HA H 1 4.237 0.020 . 1 . . . . 61 TYR HA . 15633 1 708 . 1 1 63 63 TYR HB2 H 1 3.423 0.005 . 2 . . . . 61 TYR HB2 . 15633 1 709 . 1 1 63 63 TYR HB3 H 1 3.312 0.020 . 2 . . . . 61 TYR HB3 . 15633 1 710 . 1 1 63 63 TYR HD1 H 1 7.165 0.010 . 1 . . . . 61 TYR HD1 . 15633 1 711 . 1 1 63 63 TYR HD2 H 1 7.165 0.010 . 1 . . . . 61 TYR HD2 . 15633 1 712 . 1 1 63 63 TYR HE1 H 1 6.819 0.005 . 1 . . . . 61 TYR HE1 . 15633 1 713 . 1 1 63 63 TYR HE2 H 1 6.819 0.005 . 1 . . . . 61 TYR HE2 . 15633 1 714 . 1 1 63 63 TYR C C 13 178.551 0.1 . 1 . . . . 61 TYR C . 15633 1 715 . 1 1 63 63 TYR CA C 13 61.206 0.1 . 1 . . . . 61 TYR CA . 15633 1 716 . 1 1 63 63 TYR CB C 13 39.669 0.1 . 1 . . . . 61 TYR CB . 15633 1 717 . 1 1 63 63 TYR CD1 C 13 133.083 0.1 . 1 . . . . 61 TYR CD1 . 15633 1 718 . 1 1 63 63 TYR CE1 C 13 118.070 0.1 . 1 . . . . 61 TYR CE1 . 15633 1 719 . 1 1 63 63 TYR N N 15 121.402 0.1 . 1 . . . . 61 TYR N . 15633 1 720 . 1 1 64 64 LEU H H 1 8.227 0.009 . 1 . . . . 62 LEU H . 15633 1 721 . 1 1 64 64 LEU HA H 1 3.957 0.020 . 1 . . . . 62 LEU HA . 15633 1 722 . 1 1 64 64 LEU HB2 H 1 1.939 0.009 . 2 . . . . 62 LEU HB2 . 15633 1 723 . 1 1 64 64 LEU HB3 H 1 1.214 0.004 . 2 . . . . 62 LEU HB3 . 15633 1 724 . 1 1 64 64 LEU HD11 H 1 0.753 0.006 . 2 . . . . 62 LEU QD1 . 15633 1 725 . 1 1 64 64 LEU HD12 H 1 0.753 0.006 . 2 . . . . 62 LEU QD1 . 15633 1 726 . 1 1 64 64 LEU HD13 H 1 0.753 0.006 . 2 . . . . 62 LEU QD1 . 15633 1 727 . 1 1 64 64 LEU HD21 H 1 0.699 0.007 . 2 . . . . 62 LEU QD2 . 15633 1 728 . 1 1 64 64 LEU HD22 H 1 0.699 0.007 . 2 . . . . 62 LEU QD2 . 15633 1 729 . 1 1 64 64 LEU HD23 H 1 0.699 0.007 . 2 . . . . 62 LEU QD2 . 15633 1 730 . 1 1 64 64 LEU HG H 1 1.925 0.012 . 1 . . . . 62 LEU HG . 15633 1 731 . 1 1 64 64 LEU C C 13 179.458 0.1 . 1 . . . . 62 LEU C . 15633 1 732 . 1 1 64 64 LEU CA C 13 57.880 0.1 . 1 . . . . 62 LEU CA . 15633 1 733 . 1 1 64 64 LEU CB C 13 42.434 0.1 . 1 . . . . 62 LEU CB . 15633 1 734 . 1 1 64 64 LEU CD1 C 13 23.192 0.1 . 1 . . . . 62 LEU CD1 . 15633 1 735 . 1 1 64 64 LEU CD2 C 13 26.727 0.1 . 1 . . . . 62 LEU CD2 . 15633 1 736 . 1 1 64 64 LEU CG C 13 26.955 0.054 . 1 . . . . 62 LEU CG . 15633 1 737 . 1 1 64 64 LEU N N 15 116.209 0.1 . 1 . . . . 62 LEU N . 15633 1 738 . 1 1 65 65 GLU H H 1 8.472 0.010 . 1 . . . . 63 GLU H . 15633 1 739 . 1 1 65 65 GLU HA H 1 3.827 0.003 . 1 . . . . 63 GLU HA . 15633 1 740 . 1 1 65 65 GLU HB2 H 1 2.241 0.007 . 2 . . . . 63 GLU HB2 . 15633 1 741 . 1 1 65 65 GLU HB3 H 1 2.075 0.020 . 2 . . . . 63 GLU HB3 . 15633 1 742 . 1 1 65 65 GLU HG2 H 1 2.474 0.001 . 2 . . . . 63 GLU HG2 . 15633 1 743 . 1 1 65 65 GLU HG3 H 1 2.254 0.008 . 2 . . . . 63 GLU HG3 . 15633 1 744 . 1 1 65 65 GLU C C 13 179.166 0.1 . 1 . . . . 63 GLU C . 15633 1 745 . 1 1 65 65 GLU CA C 13 60.265 0.1 . 1 . . . . 63 GLU CA . 15633 1 746 . 1 1 65 65 GLU CB C 13 29.739 0.1 . 1 . . . . 63 GLU CB . 15633 1 747 . 1 1 65 65 GLU CG C 13 37.207 0.1 . 1 . . . . 63 GLU CG . 15633 1 748 . 1 1 65 65 GLU N N 15 118.559 0.1 . 1 . . . . 63 GLU N . 15633 1 749 . 1 1 66 66 LYS H H 1 7.554 0.006 . 1 . . . . 64 LYS H . 15633 1 750 . 1 1 66 66 LYS HA H 1 4.215 0.007 . 1 . . . . 64 LYS HA . 15633 1 751 . 1 1 66 66 LYS HB2 H 1 1.968 0.004 . 2 . . . . 64 LYS HB2 . 15633 1 752 . 1 1 66 66 LYS HB3 H 1 1.968 0.004 . 2 . . . . 64 LYS HB3 . 15633 1 753 . 1 1 66 66 LYS HD2 H 1 1.686 0.003 . 2 . . . . 64 LYS HD2 . 15633 1 754 . 1 1 66 66 LYS HD3 H 1 1.686 0.003 . 2 . . . . 64 LYS HD3 . 15633 1 755 . 1 1 66 66 LYS HE2 H 1 2.994 0.002 . 2 . . . . 64 LYS HE2 . 15633 1 756 . 1 1 66 66 LYS HE3 H 1 2.994 0.002 . 2 . . . . 64 LYS HE3 . 15633 1 757 . 1 1 66 66 LYS HG2 H 1 1.610 0.003 . 2 . . . . 64 LYS HG2 . 15633 1 758 . 1 1 66 66 LYS HG3 H 1 1.610 0.003 . 2 . . . . 64 LYS HG3 . 15633 1 759 . 1 1 66 66 LYS C C 13 178.302 0.1 . 1 . . . . 64 LYS C . 15633 1 760 . 1 1 66 66 LYS CA C 13 58.481 0.062 . 1 . . . . 64 LYS CA . 15633 1 761 . 1 1 66 66 LYS CB C 13 32.505 0.1 . 1 . . . . 64 LYS CB . 15633 1 762 . 1 1 66 66 LYS CD C 13 29.379 0.1 . 1 . . . . 64 LYS CD . 15633 1 763 . 1 1 66 66 LYS CE C 13 42.579 0.108 . 1 . . . . 64 LYS CE . 15633 1 764 . 1 1 66 66 LYS CG C 13 25.465 0.1 . 1 . . . . 64 LYS CG . 15633 1 765 . 1 1 66 66 LYS N N 15 117.056 0.1 . 1 . . . . 64 LYS N . 15633 1 766 . 1 1 67 67 CYS H H 1 7.918 0.004 . 1 . . . . 65 CYS H . 15633 1 767 . 1 1 67 67 CYS HA H 1 4.532 0.020 . 1 . . . . 65 CYS HA . 15633 1 768 . 1 1 67 67 CYS HB2 H 1 3.076 0.003 . 2 . . . . 65 CYS HB2 . 15633 1 769 . 1 1 67 67 CYS HB3 H 1 3.006 0.007 . 2 . . . . 65 CYS HB3 . 15633 1 770 . 1 1 67 67 CYS C C 13 174.775 0.1 . 1 . . . . 65 CYS C . 15633 1 771 . 1 1 67 67 CYS CA C 13 56.102 0.1 . 1 . . . . 65 CYS CA . 15633 1 772 . 1 1 67 67 CYS CB C 13 45.325 0.1 . 1 . . . . 65 CYS CB . 15633 1 773 . 1 1 67 67 CYS N N 15 115.236 0.1 . 1 . . . . 65 CYS N . 15633 1 774 . 1 1 68 68 LEU H H 1 7.558 0.005 . 1 . . . . 66 LEU H . 15633 1 775 . 1 1 68 68 LEU HA H 1 4.520 0.020 . 1 . . . . 66 LEU HA . 15633 1 776 . 1 1 68 68 LEU HB2 H 1 1.725 0.013 . 2 . . . . 66 LEU HB2 . 15633 1 777 . 1 1 68 68 LEU HB3 H 1 1.584 0.020 . 2 . . . . 66 LEU HB3 . 15633 1 778 . 1 1 68 68 LEU HD11 H 1 0.871 0.005 . 2 . . . . 66 LEU QD1 . 15633 1 779 . 1 1 68 68 LEU HD12 H 1 0.871 0.005 . 2 . . . . 66 LEU QD1 . 15633 1 780 . 1 1 68 68 LEU HD13 H 1 0.871 0.005 . 2 . . . . 66 LEU QD1 . 15633 1 781 . 1 1 68 68 LEU HD21 H 1 0.864 0.004 . 2 . . . . 66 LEU QD2 . 15633 1 782 . 1 1 68 68 LEU HD22 H 1 0.864 0.004 . 2 . . . . 66 LEU QD2 . 15633 1 783 . 1 1 68 68 LEU HD23 H 1 0.864 0.004 . 2 . . . . 66 LEU QD2 . 15633 1 784 . 1 1 68 68 LEU HG H 1 1.712 0.010 . 1 . . . . 66 LEU HG . 15633 1 785 . 1 1 68 68 LEU C C 13 176.765 0.1 . 1 . . . . 66 LEU C . 15633 1 786 . 1 1 68 68 LEU CA C 13 55.202 0.1 . 1 . . . . 66 LEU CA . 15633 1 787 . 1 1 68 68 LEU CB C 13 43.314 0.1 . 1 . . . . 66 LEU CB . 15633 1 788 . 1 1 68 68 LEU CD1 C 13 26.475 0.1 . 1 . . . . 66 LEU CD1 . 15633 1 789 . 1 1 68 68 LEU CD2 C 13 23.823 0.1 . 1 . . . . 66 LEU CD2 . 15633 1 790 . 1 1 68 68 LEU CG C 13 26.601 0.1 . 1 . . . . 66 LEU CG . 15633 1 791 . 1 1 68 68 LEU N N 15 121.130 0.1 . 1 . . . . 66 LEU N . 15633 1 792 . 1 1 69 69 ASN H H 1 8.306 0.005 . 1 . . . . 67 ASN H . 15633 1 793 . 1 1 69 69 ASN HA H 1 4.639 0.020 . 1 . . . . 67 ASN HA . 15633 1 794 . 1 1 69 69 ASN HB2 H 1 2.846 0.020 . 2 . . . . 67 ASN HB2 . 15633 1 795 . 1 1 69 69 ASN HB3 H 1 2.599 0.020 . 2 . . . . 67 ASN HB3 . 15633 1 796 . 1 1 69 69 ASN HD21 H 1 7.595 0.006 . 2 . . . . 67 ASN HD21 . 15633 1 797 . 1 1 69 69 ASN HD22 H 1 6.857 0.003 . 2 . . . . 67 ASN HD22 . 15633 1 798 . 1 1 69 69 ASN C C 13 174.189 0.1 . 1 . . . . 67 ASN C . 15633 1 799 . 1 1 69 69 ASN CA C 13 53.654 0.1 . 1 . . . . 67 ASN CA . 15633 1 800 . 1 1 69 69 ASN CB C 13 38.978 0.1 . 1 . . . . 67 ASN CB . 15633 1 801 . 1 1 69 69 ASN N N 15 120.313 0.095 . 1 . . . . 67 ASN N . 15633 1 802 . 1 1 69 69 ASN ND2 N 15 112.192 0.1 . 1 . . . . 67 ASN ND2 . 15633 1 803 . 1 1 70 70 LYS H H 1 7.913 0.008 . 1 . . . . 68 LYS H . 15633 1 804 . 1 1 70 70 LYS HA H 1 4.667 0.020 . 1 . . . . 68 LYS HA . 15633 1 805 . 1 1 70 70 LYS HB2 H 1 1.830 0.020 . 2 . . . . 68 LYS HB2 . 15633 1 806 . 1 1 70 70 LYS HB3 H 1 1.830 0.020 . 2 . . . . 68 LYS HB3 . 15633 1 807 . 1 1 70 70 LYS HD2 H 1 1.411 0.020 . 2 . . . . 68 LYS HD2 . 15633 1 808 . 1 1 70 70 LYS HD3 H 1 1.411 0.020 . 2 . . . . 68 LYS HD3 . 15633 1 809 . 1 1 70 70 LYS HG2 H 1 1.713 0.020 . 2 . . . . 68 LYS HG2 . 15633 1 810 . 1 1 70 70 LYS HG3 H 1 1.713 0.020 . 2 . . . . 68 LYS HG3 . 15633 1 811 . 1 1 70 70 LYS N N 15 127.077 0.1 . 1 . . . . 68 LYS N . 15633 1 812 . 2 1 3 3 LYS H H 1 8.483 0.020 . 1 . . . . 201 LYS H . 15633 1 813 . 2 1 3 3 LYS N N 15 124.855 0.1 . 1 . . . . 201 LYS N . 15633 1 814 . 2 1 4 4 PRO HA H 1 4.490 0.020 . 1 . . . . 202 PRO HA . 15633 1 815 . 2 1 4 4 PRO HB2 H 1 2.329 0.005 . 2 . . . . 202 PRO HB2 . 15633 1 816 . 2 1 4 4 PRO HB3 H 1 1.931 0.008 . 2 . . . . 202 PRO HB3 . 15633 1 817 . 2 1 4 4 PRO HD2 H 1 3.883 0.004 . 2 . . . . 202 PRO HD2 . 15633 1 818 . 2 1 4 4 PRO HD3 H 1 3.668 0.020 . 2 . . . . 202 PRO HD3 . 15633 1 819 . 2 1 4 4 PRO HG2 H 1 2.068 0.008 . 2 . . . . 202 PRO HG2 . 15633 1 820 . 2 1 4 4 PRO HG3 H 1 2.068 0.008 . 2 . . . . 202 PRO HG3 . 15633 1 821 . 2 1 4 4 PRO C C 13 177.102 0.1 . 1 . . . . 202 PRO C . 15633 1 822 . 2 1 4 4 PRO CA C 13 63.319 0.1 . 1 . . . . 202 PRO CA . 15633 1 823 . 2 1 4 4 PRO CB C 13 32.575 0.1 . 1 . . . . 202 PRO CB . 15633 1 824 . 2 1 4 4 PRO CD C 13 51.111 0.044 . 1 . . . . 202 PRO CD . 15633 1 825 . 2 1 4 4 PRO CG C 13 27.806 0.101 . 1 . . . . 202 PRO CG . 15633 1 826 . 2 1 5 5 VAL H H 1 8.259 0.020 . 1 . . . . 203 VAL H . 15633 1 827 . 2 1 5 5 VAL HA H 1 4.117 0.020 . 1 . . . . 203 VAL HA . 15633 1 828 . 2 1 5 5 VAL HB H 1 2.087 0.020 . 1 . . . . 203 VAL HB . 15633 1 829 . 2 1 5 5 VAL HG11 H 1 0.977 0.020 . 2 . . . . 203 VAL QG1 . 15633 1 830 . 2 1 5 5 VAL HG12 H 1 0.977 0.020 . 2 . . . . 203 VAL QG1 . 15633 1 831 . 2 1 5 5 VAL HG13 H 1 0.977 0.020 . 2 . . . . 203 VAL QG1 . 15633 1 832 . 2 1 5 5 VAL HG21 H 1 0.977 0.020 . 2 . . . . 203 VAL QG2 . 15633 1 833 . 2 1 5 5 VAL HG22 H 1 0.977 0.020 . 2 . . . . 203 VAL QG2 . 15633 1 834 . 2 1 5 5 VAL HG23 H 1 0.977 0.020 . 2 . . . . 203 VAL QG2 . 15633 1 835 . 2 1 5 5 VAL C C 13 176.385 0.1 . 1 . . . . 203 VAL C . 15633 1 836 . 2 1 5 5 VAL CA C 13 62.629 0.1 . 1 . . . . 203 VAL CA . 15633 1 837 . 2 1 5 5 VAL CB C 13 33.146 0.1 . 1 . . . . 203 VAL CB . 15633 1 838 . 2 1 5 5 VAL CG1 C 13 21.102 0.057 . 1 . . . . 203 VAL CG1 . 15633 1 839 . 2 1 5 5 VAL CG2 C 13 21.159 0.1 . 1 . . . . 203 VAL CG2 . 15633 1 840 . 2 1 5 5 VAL N N 15 120.806 0.1 . 1 . . . . 203 VAL N . 15633 1 841 . 2 1 6 6 SER H H 1 8.345 0.020 . 1 . . . . 204 SER H . 15633 1 842 . 2 1 6 6 SER HA H 1 4.479 0.020 . 1 . . . . 204 SER HA . 15633 1 843 . 2 1 6 6 SER HB2 H 1 3.864 0.020 . 2 . . . . 204 SER HB2 . 15633 1 844 . 2 1 6 6 SER HB3 H 1 3.864 0.020 . 2 . . . . 204 SER HB3 . 15633 1 845 . 2 1 6 6 SER C C 13 174.687 0.1 . 1 . . . . 204 SER C . 15633 1 846 . 2 1 6 6 SER CA C 13 58.340 0.1 . 1 . . . . 204 SER CA . 15633 1 847 . 2 1 6 6 SER CB C 13 64.208 0.1 . 1 . . . . 204 SER CB . 15633 1 848 . 2 1 6 6 SER N N 15 119.332 0.1 . 1 . . . . 204 SER N . 15633 1 849 . 2 1 7 7 LEU H H 1 8.334 0.020 . 1 . . . . 205 LEU H . 15633 1 850 . 2 1 7 7 LEU HA H 1 4.384 0.020 . 1 . . . . 205 LEU HA . 15633 1 851 . 2 1 7 7 LEU HB2 H 1 1.637 0.020 . 2 . . . . 205 LEU HB2 . 15633 1 852 . 2 1 7 7 LEU HB3 H 1 1.550 0.020 . 2 . . . . 205 LEU HB3 . 15633 1 853 . 2 1 7 7 LEU HD11 H 1 0.938 0.020 . 2 . . . . 205 LEU QD1 . 15633 1 854 . 2 1 7 7 LEU HD12 H 1 0.938 0.020 . 2 . . . . 205 LEU QD1 . 15633 1 855 . 2 1 7 7 LEU HD13 H 1 0.938 0.020 . 2 . . . . 205 LEU QD1 . 15633 1 856 . 2 1 7 7 LEU C C 13 177.424 0.1 . 1 . . . . 205 LEU C . 15633 1 857 . 2 1 7 7 LEU CA C 13 55.495 0.1 . 1 . . . . 205 LEU CA . 15633 1 858 . 2 1 7 7 LEU CB C 13 42.786 0.1 . 1 . . . . 205 LEU CB . 15633 1 859 . 2 1 7 7 LEU CD1 C 13 25.338 0.1 . 1 . . . . 205 LEU CD1 . 15633 1 860 . 2 1 7 7 LEU N N 15 124.942 0.1 . 1 . . . . 205 LEU N . 15633 1 861 . 2 1 8 8 SER H H 1 8.198 0.020 . 1 . . . . 206 SER H . 15633 1 862 . 2 1 8 8 SER HA H 1 4.407 0.020 . 1 . . . . 206 SER HA . 15633 1 863 . 2 1 8 8 SER HB2 H 1 3.814 0.020 . 2 . . . . 206 SER HB2 . 15633 1 864 . 2 1 8 8 SER HB3 H 1 3.814 0.020 . 2 . . . . 206 SER HB3 . 15633 1 865 . 2 1 8 8 SER C C 13 174.306 0.1 . 1 . . . . 206 SER C . 15633 1 866 . 2 1 8 8 SER CA C 13 58.696 0.1 . 1 . . . . 206 SER CA . 15633 1 867 . 2 1 8 8 SER CB C 13 64.136 0.1 . 1 . . . . 206 SER CB . 15633 1 868 . 2 1 8 8 SER N N 15 116.070 0.1 . 1 . . . . 206 SER N . 15633 1 869 . 2 1 9 9 TYR H H 1 8.005 0.020 . 1 . . . . 207 TYR H . 15633 1 870 . 2 1 9 9 TYR HA H 1 4.547 0.020 . 1 . . . . 207 TYR HA . 15633 1 871 . 2 1 9 9 TYR HB2 H 1 3.069 0.020 . 2 . . . . 207 TYR HB2 . 15633 1 872 . 2 1 9 9 TYR HB3 H 1 2.952 0.020 . 2 . . . . 207 TYR HB3 . 15633 1 873 . 2 1 9 9 TYR HD1 H 1 7.124 0.020 . 1 . . . . 207 TYR HD1 . 15633 1 874 . 2 1 9 9 TYR HD2 H 1 7.124 0.020 . 1 . . . . 207 TYR HD2 . 15633 1 875 . 2 1 9 9 TYR HE1 H 1 6.861 0.002 . 1 . . . . 207 TYR HE1 . 15633 1 876 . 2 1 9 9 TYR HE2 H 1 6.861 0.002 . 1 . . . . 207 TYR HE2 . 15633 1 877 . 2 1 9 9 TYR C C 13 175.507 0.1 . 1 . . . . 207 TYR C . 15633 1 878 . 2 1 9 9 TYR CA C 13 58.236 0.1 . 1 . . . . 207 TYR CA . 15633 1 879 . 2 1 9 9 TYR CB C 13 39.144 0.1 . 1 . . . . 207 TYR CB . 15633 1 880 . 2 1 9 9 TYR CD1 C 13 133.342 0.1 . 1 . . . . 207 TYR CD1 . 15633 1 881 . 2 1 9 9 TYR CE1 C 13 118.329 0.1 . 1 . . . . 207 TYR CE1 . 15633 1 882 . 2 1 9 9 TYR N N 15 122.102 0.1 . 1 . . . . 207 TYR N . 15633 1 883 . 2 1 10 10 ARG H H 1 8.142 0.020 . 1 . . . . 208 ARG H . 15633 1 884 . 2 1 10 10 ARG HA H 1 4.302 0.010 . 1 . . . . 208 ARG HA . 15633 1 885 . 2 1 10 10 ARG HB2 H 1 1.810 0.020 . 2 . . . . 208 ARG HB2 . 15633 1 886 . 2 1 10 10 ARG HB3 H 1 1.710 0.020 . 2 . . . . 208 ARG HB3 . 15633 1 887 . 2 1 10 10 ARG HD2 H 1 3.177 0.003 . 2 . . . . 208 ARG HD2 . 15633 1 888 . 2 1 10 10 ARG HD3 H 1 3.177 0.003 . 2 . . . . 208 ARG HD3 . 15633 1 889 . 2 1 10 10 ARG HG2 H 1 1.550 0.007 . 2 . . . . 208 ARG HG2 . 15633 1 890 . 2 1 10 10 ARG HG3 H 1 1.550 0.007 . 2 . . . . 208 ARG HG3 . 15633 1 891 . 2 1 10 10 ARG C C 13 175.946 0.1 . 1 . . . . 208 ARG C . 15633 1 892 . 2 1 10 10 ARG CA C 13 56.102 0.1 . 1 . . . . 208 ARG CA . 15633 1 893 . 2 1 10 10 ARG CB C 13 31.004 0.1 . 1 . . . . 208 ARG CB . 15633 1 894 . 2 1 10 10 ARG CD C 13 43.900 0.1 . 1 . . . . 208 ARG CD . 15633 1 895 . 2 1 10 10 ARG CG C 13 26.854 0.1 . 1 . . . . 208 ARG CG . 15633 1 896 . 2 1 10 10 ARG N N 15 122.105 0.1 . 1 . . . . 208 ARG N . 15633 1 897 . 2 1 11 11 CYS H H 1 8.185 0.020 . 1 . . . . 209 CYS H . 15633 1 898 . 2 1 11 11 CYS HA H 1 4.952 0.006 . 1 . . . . 209 CYS HA . 15633 1 899 . 2 1 11 11 CYS HB2 H 1 2.727 0.002 . 2 . . . . 209 CYS HB2 . 15633 1 900 . 2 1 11 11 CYS HB3 H 1 3.164 0.009 . 2 . . . . 209 CYS HB3 . 15633 1 901 . 2 1 11 11 CYS CA C 13 53.192 0.1 . 1 . . . . 209 CYS CA . 15633 1 902 . 2 1 11 11 CYS CB C 13 40.250 0.1 . 1 . . . . 209 CYS CB . 15633 1 903 . 2 1 11 11 CYS N N 15 121.511 0.1 . 1 . . . . 209 CYS N . 15633 1 904 . 2 1 12 12 PRO HA H 1 4.315 0.011 . 1 . . . . 210 PRO HA . 15633 1 905 . 2 1 12 12 PRO HB2 H 1 1.915 0.006 . 2 . . . . 210 PRO HB2 . 15633 1 906 . 2 1 12 12 PRO HB3 H 1 2.364 0.005 . 2 . . . . 210 PRO HB3 . 15633 1 907 . 2 1 12 12 PRO HD2 H 1 3.891 0.006 . 2 . . . . 210 PRO HD2 . 15633 1 908 . 2 1 12 12 PRO HD3 H 1 3.891 0.006 . 2 . . . . 210 PRO HD3 . 15633 1 909 . 2 1 12 12 PRO HG2 H 1 2.102 0.007 . 2 . . . . 210 PRO HG2 . 15633 1 910 . 2 1 12 12 PRO HG3 H 1 2.102 0.007 . 2 . . . . 210 PRO HG3 . 15633 1 911 . 2 1 12 12 PRO C C 13 177.980 0.1 . 1 . . . . 210 PRO C . 15633 1 912 . 2 1 12 12 PRO CA C 13 65.345 0.140 . 1 . . . . 210 PRO CA . 15633 1 913 . 2 1 12 12 PRO CB C 13 32.575 0.1 . 1 . . . . 210 PRO CB . 15633 1 914 . 2 1 12 12 PRO CD C 13 51.225 0.057 . 1 . . . . 210 PRO CD . 15633 1 915 . 2 1 12 12 PRO CG C 13 27.841 0.070 . 1 . . . . 210 PRO CG . 15633 1 916 . 2 1 13 13 CYS H H 1 8.719 0.020 . 1 . . . . 211 CYS H . 15633 1 917 . 2 1 13 13 CYS N N 15 115.047 0.1 . 1 . . . . 211 CYS N . 15633 1 918 . 2 1 14 14 ARG HA H 1 4.028 0.020 . 1 . . . . 212 ARG HA . 15633 1 919 . 2 1 14 14 ARG HB2 H 1 1.592 0.001 . 2 . . . . 212 ARG HB2 . 15633 1 920 . 2 1 14 14 ARG HB3 H 1 1.528 0.002 . 2 . . . . 212 ARG HB3 . 15633 1 921 . 2 1 14 14 ARG HD2 H 1 3.017 0.020 . 2 . . . . 212 ARG HD2 . 15633 1 922 . 2 1 14 14 ARG HD3 H 1 3.017 0.020 . 2 . . . . 212 ARG HD3 . 15633 1 923 . 2 1 14 14 ARG HG2 H 1 1.298 0.001 . 2 . . . . 212 ARG HG2 . 15633 1 924 . 2 1 14 14 ARG HG3 H 1 1.197 0.010 . 2 . . . . 212 ARG HG3 . 15633 1 925 . 2 1 14 14 ARG C C 13 175.097 0.1 . 1 . . . . 212 ARG C . 15633 1 926 . 2 1 14 14 ARG CA C 13 57.503 0.1 . 1 . . . . 212 ARG CA . 15633 1 927 . 2 1 14 14 ARG CB C 13 31.289 0.1 . 1 . . . . 212 ARG CB . 15633 1 928 . 2 1 14 14 ARG CD C 13 43.485 0.1 . 1 . . . . 212 ARG CD . 15633 1 929 . 2 1 14 14 ARG CG C 13 26.828 0.066 . 1 . . . . 212 ARG CG . 15633 1 930 . 2 1 15 15 PHE H H 1 7.607 0.003 . 1 . . . . 213 PHE H . 15633 1 931 . 2 1 15 15 PHE HA H 1 4.497 0.020 . 1 . . . . 213 PHE HA . 15633 1 932 . 2 1 15 15 PHE HB2 H 1 3.110 0.020 . 2 . . . . 213 PHE HB2 . 15633 1 933 . 2 1 15 15 PHE HB3 H 1 2.818 0.020 . 2 . . . . 213 PHE HB3 . 15633 1 934 . 2 1 15 15 PHE HD1 H 1 7.220 0.020 . 1 . . . . 213 PHE HD1 . 15633 1 935 . 2 1 15 15 PHE HD2 H 1 7.220 0.020 . 1 . . . . 213 PHE HD2 . 15633 1 936 . 2 1 15 15 PHE HE1 H 1 7.350 0.013 . 1 . . . . 213 PHE HE1 . 15633 1 937 . 2 1 15 15 PHE HE2 H 1 7.350 0.013 . 1 . . . . 213 PHE HE2 . 15633 1 938 . 2 1 15 15 PHE C C 13 174.292 0.1 . 1 . . . . 213 PHE C . 15633 1 939 . 2 1 15 15 PHE CA C 13 56.060 0.1 . 1 . . . . 213 PHE CA . 15633 1 940 . 2 1 15 15 PHE CB C 13 41.122 0.1 . 1 . . . . 213 PHE CB . 15633 1 941 . 2 1 15 15 PHE CD1 C 13 132.302 0.1 . 1 . . . . 213 PHE CD1 . 15633 1 942 . 2 1 15 15 PHE CE1 C 13 131.789 0.1 . 1 . . . . 213 PHE CE1 . 15633 1 943 . 2 1 15 15 PHE N N 15 116.487 0.1 . 1 . . . . 213 PHE N . 15633 1 944 . 2 1 16 16 PHE H H 1 8.202 0.005 . 1 . . . . 214 PHE H . 15633 1 945 . 2 1 16 16 PHE HA H 1 4.793 0.006 . 1 . . . . 214 PHE HA . 15633 1 946 . 2 1 16 16 PHE HB2 H 1 2.770 0.020 . 2 . . . . 214 PHE HB2 . 15633 1 947 . 2 1 16 16 PHE HB3 H 1 2.998 0.020 . 2 . . . . 214 PHE HB3 . 15633 1 948 . 2 1 16 16 PHE HD1 H 1 7.010 0.012 . 1 . . . . 214 PHE HD1 . 15633 1 949 . 2 1 16 16 PHE HD2 H 1 7.010 0.012 . 1 . . . . 214 PHE HD2 . 15633 1 950 . 2 1 16 16 PHE HE1 H 1 7.353 0.020 . 1 . . . . 214 PHE HE1 . 15633 1 951 . 2 1 16 16 PHE HE2 H 1 7.353 0.020 . 1 . . . . 214 PHE HE2 . 15633 1 952 . 2 1 16 16 PHE C C 13 175.433 0.1 . 1 . . . . 214 PHE C . 15633 1 953 . 2 1 16 16 PHE CA C 13 55.516 0.1 . 1 . . . . 214 PHE CA . 15633 1 954 . 2 1 16 16 PHE CB C 13 41.096 0.1 . 1 . . . . 214 PHE CB . 15633 1 955 . 2 1 16 16 PHE CD1 C 13 131.789 0.1 . 1 . . . . 214 PHE CD1 . 15633 1 956 . 2 1 16 16 PHE CE1 C 13 131.789 0.1 . 1 . . . . 214 PHE CE1 . 15633 1 957 . 2 1 16 16 PHE N N 15 119.591 0.1 . 1 . . . . 214 PHE N . 15633 1 958 . 2 1 17 17 GLU H H 1 8.749 0.007 . 1 . . . . 215 GLU H . 15633 1 959 . 2 1 17 17 GLU HA H 1 4.579 0.020 . 1 . . . . 215 GLU HA . 15633 1 960 . 2 1 17 17 GLU HB2 H 1 2.016 0.003 . 2 . . . . 215 GLU HB2 . 15633 1 961 . 2 1 17 17 GLU HB3 H 1 2.154 0.009 . 2 . . . . 215 GLU HB3 . 15633 1 962 . 2 1 17 17 GLU HG2 H 1 2.385 0.006 . 2 . . . . 215 GLU HG2 . 15633 1 963 . 2 1 17 17 GLU HG3 H 1 2.385 0.006 . 2 . . . . 215 GLU HG3 . 15633 1 964 . 2 1 17 17 GLU C C 13 176.809 0.1 . 1 . . . . 215 GLU C . 15633 1 965 . 2 1 17 17 GLU CA C 13 56.395 0.1 . 1 . . . . 215 GLU CA . 15633 1 966 . 2 1 17 17 GLU CB C 13 30.932 0.1 . 1 . . . . 215 GLU CB . 15633 1 967 . 2 1 17 17 GLU CG C 13 36.576 0.1 . 1 . . . . 215 GLU CG . 15633 1 968 . 2 1 17 17 GLU N N 15 122.719 0.1 . 1 . . . . 215 GLU N . 15633 1 969 . 2 1 18 18 SER H H 1 8.764 0.005 . 1 . . . . 216 SER H . 15633 1 970 . 2 1 18 18 SER HA H 1 4.697 0.020 . 1 . . . . 216 SER HA . 15633 1 971 . 2 1 18 18 SER HB2 H 1 3.858 0.020 . 2 . . . . 216 SER HB2 . 15633 1 972 . 2 1 18 18 SER HB3 H 1 3.772 0.020 . 2 . . . . 216 SER HB3 . 15633 1 973 . 2 1 18 18 SER CA C 13 59.637 0.1 . 1 . . . . 216 SER CA . 15633 1 974 . 2 1 18 18 SER CB C 13 64.708 0.1 . 1 . . . . 216 SER CB . 15633 1 975 . 2 1 18 18 SER N N 15 118.765 0.1 . 1 . . . . 216 SER N . 15633 1 976 . 2 1 19 19 HIS H H 1 8.617 0.020 . 1 . . . . 217 HIS H . 15633 1 977 . 2 1 19 19 HIS HA H 1 4.770 0.020 . 1 . . . . 217 HIS HA . 15633 1 978 . 2 1 19 19 HIS HB2 H 1 3.222 0.020 . 2 . . . . 217 HIS HB2 . 15633 1 979 . 2 1 19 19 HIS HB3 H 1 3.222 0.020 . 2 . . . . 217 HIS HB3 . 15633 1 980 . 2 1 19 19 HIS HD2 H 1 7.119 0.020 . 1 . . . . 217 HIS HD2 . 15633 1 981 . 2 1 19 19 HIS HE1 H 1 7.963 0.020 . 1 . . . . 217 HIS HE1 . 15633 1 982 . 2 1 19 19 HIS C C 13 174.658 0.1 . 1 . . . . 217 HIS C . 15633 1 983 . 2 1 19 19 HIS CA C 13 56.750 0.1 . 1 . . . . 217 HIS CA . 15633 1 984 . 2 1 19 19 HIS CB C 13 29.718 0.1 . 1 . . . . 217 HIS CB . 15633 1 985 . 2 1 19 19 HIS CD2 C 13 120.141 0.1 . 1 . . . . 217 HIS CD2 . 15633 1 986 . 2 1 19 19 HIS CE1 C 13 138.518 0.1 . 1 . . . . 217 HIS CE1 . 15633 1 987 . 2 1 19 19 HIS N N 15 119.651 0.1 . 1 . . . . 217 HIS N . 15633 1 988 . 2 1 20 20 VAL H H 1 7.360 0.005 . 1 . . . . 218 VAL H . 15633 1 989 . 2 1 20 20 VAL HA H 1 4.100 0.001 . 1 . . . . 218 VAL HA . 15633 1 990 . 2 1 20 20 VAL HB H 1 1.957 0.008 . 1 . . . . 218 VAL HB . 15633 1 991 . 2 1 20 20 VAL HG11 H 1 0.877 0.006 . 2 . . . . 218 VAL QG1 . 15633 1 992 . 2 1 20 20 VAL HG12 H 1 0.877 0.006 . 2 . . . . 218 VAL QG1 . 15633 1 993 . 2 1 20 20 VAL HG13 H 1 0.877 0.006 . 2 . . . . 218 VAL QG1 . 15633 1 994 . 2 1 20 20 VAL HG21 H 1 0.877 0.006 . 2 . . . . 218 VAL QG2 . 15633 1 995 . 2 1 20 20 VAL HG22 H 1 0.877 0.006 . 2 . . . . 218 VAL QG2 . 15633 1 996 . 2 1 20 20 VAL HG23 H 1 0.877 0.006 . 2 . . . . 218 VAL QG2 . 15633 1 997 . 2 1 20 20 VAL C C 13 174.424 0.1 . 1 . . . . 218 VAL C . 15633 1 998 . 2 1 20 20 VAL CA C 13 62.252 0.1 . 1 . . . . 218 VAL CA . 15633 1 999 . 2 1 20 20 VAL CB C 13 34.146 0.1 . 1 . . . . 218 VAL CB . 15633 1 1000 . 2 1 20 20 VAL CG1 C 13 22.130 0.1 . 1 . . . . 218 VAL CG1 . 15633 1 1001 . 2 1 20 20 VAL CG2 C 13 21.450 0.1 . 1 . . . . 218 VAL CG2 . 15633 1 1002 . 2 1 20 20 VAL N N 15 121.352 0.1 . 1 . . . . 218 VAL N . 15633 1 1003 . 2 1 21 21 ALA H H 1 8.570 0.006 . 1 . . . . 219 ALA H . 15633 1 1004 . 2 1 21 21 ALA HA H 1 4.345 0.020 . 1 . . . . 219 ALA HA . 15633 1 1005 . 2 1 21 21 ALA HB1 H 1 1.342 0.006 . 1 . . . . 219 ALA QB . 15633 1 1006 . 2 1 21 21 ALA HB2 H 1 1.342 0.006 . 1 . . . . 219 ALA QB . 15633 1 1007 . 2 1 21 21 ALA HB3 H 1 1.342 0.006 . 1 . . . . 219 ALA QB . 15633 1 1008 . 2 1 21 21 ALA C C 13 177.570 0.1 . 1 . . . . 219 ALA C . 15633 1 1009 . 2 1 21 21 ALA CA C 13 50.997 0.1 . 1 . . . . 219 ALA CA . 15633 1 1010 . 2 1 21 21 ALA CB C 13 19.579 0.1 . 1 . . . . 219 ALA CB . 15633 1 1011 . 2 1 21 21 ALA N N 15 131.401 0.1 . 1 . . . . 219 ALA N . 15633 1 1012 . 2 1 22 22 ARG H H 1 7.838 0.006 . 1 . . . . 220 ARG H . 15633 1 1013 . 2 1 22 22 ARG HA H 1 2.545 0.005 . 1 . . . . 220 ARG HA . 15633 1 1014 . 2 1 22 22 ARG HB2 H 1 0.492 0.020 . 2 . . . . 220 ARG HB2 . 15633 1 1015 . 2 1 22 22 ARG HB3 H 1 1.035 0.020 . 2 . . . . 220 ARG HB3 . 15633 1 1016 . 2 1 22 22 ARG HD2 H 1 2.866 0.001 . 2 . . . . 220 ARG HD2 . 15633 1 1017 . 2 1 22 22 ARG HD3 H 1 2.866 0.001 . 2 . . . . 220 ARG HD3 . 15633 1 1018 . 2 1 22 22 ARG HG2 H 1 1.176 0.020 . 2 . . . . 220 ARG HG2 . 15633 1 1019 . 2 1 22 22 ARG HG3 H 1 0.867 0.004 . 2 . . . . 220 ARG HG3 . 15633 1 1020 . 2 1 22 22 ARG C C 13 178.258 0.1 . 1 . . . . 220 ARG C . 15633 1 1021 . 2 1 22 22 ARG CA C 13 59.407 0.1 . 1 . . . . 220 ARG CA . 15633 1 1022 . 2 1 22 22 ARG CB C 13 29.433 0.1 . 1 . . . . 220 ARG CB . 15633 1 1023 . 2 1 22 22 ARG CD C 13 43.773 0.1 . 1 . . . . 220 ARG CD . 15633 1 1024 . 2 1 22 22 ARG CG C 13 26.561 0.092 . 1 . . . . 220 ARG CG . 15633 1 1025 . 2 1 22 22 ARG N N 15 124.465 0.1 . 1 . . . . 220 ARG N . 15633 1 1026 . 2 1 23 23 ALA H H 1 8.203 0.005 . 1 . . . . 221 ALA H . 15633 1 1027 . 2 1 23 23 ALA HA H 1 4.083 0.020 . 1 . . . . 221 ALA HA . 15633 1 1028 . 2 1 23 23 ALA HB1 H 1 1.302 0.020 . 1 . . . . 221 ALA QB . 15633 1 1029 . 2 1 23 23 ALA HB2 H 1 1.302 0.020 . 1 . . . . 221 ALA QB . 15633 1 1030 . 2 1 23 23 ALA HB3 H 1 1.302 0.020 . 1 . . . . 221 ALA QB . 15633 1 1031 . 2 1 23 23 ALA C C 13 177.995 0.1 . 1 . . . . 221 ALA C . 15633 1 1032 . 2 1 23 23 ALA CA C 13 54.000 0.1 . 1 . . . . 221 ALA CA . 15633 1 1033 . 2 1 23 23 ALA CB C 13 18.722 0.1 . 1 . . . . 221 ALA CB . 15633 1 1034 . 2 1 23 23 ALA N N 15 117.242 0.1 . 1 . . . . 221 ALA N . 15633 1 1035 . 2 1 24 24 ASN H H 1 7.739 0.007 . 1 . . . . 222 ASN H . 15633 1 1036 . 2 1 24 24 ASN HA H 1 4.988 0.008 . 1 . . . . 222 ASN HA . 15633 1 1037 . 2 1 24 24 ASN HB2 H 1 3.100 0.020 . 2 . . . . 222 ASN HB2 . 15633 1 1038 . 2 1 24 24 ASN HB3 H 1 2.686 0.003 . 2 . . . . 222 ASN HB3 . 15633 1 1039 . 2 1 24 24 ASN HD21 H 1 7.703 0.020 . 2 . . . . 222 ASN HD21 . 15633 1 1040 . 2 1 24 24 ASN HD22 H 1 7.133 0.001 . 2 . . . . 222 ASN HD22 . 15633 1 1041 . 2 1 24 24 ASN C C 13 174.848 0.1 . 1 . . . . 222 ASN C . 15633 1 1042 . 2 1 24 24 ASN CA C 13 52.509 0.009 . 1 . . . . 222 ASN CA . 15633 1 1043 . 2 1 24 24 ASN CB C 13 40.358 0.1 . 1 . . . . 222 ASN CB . 15633 1 1044 . 2 1 24 24 ASN N N 15 112.861 0.1 . 1 . . . . 222 ASN N . 15633 1 1045 . 2 1 24 24 ASN ND2 N 15 112.192 0.1 . 1 . . . . 222 ASN ND2 . 15633 1 1046 . 2 1 25 25 VAL H H 1 7.529 0.013 . 1 . . . . 223 VAL H . 15633 1 1047 . 2 1 25 25 VAL HA H 1 4.272 0.003 . 1 . . . . 223 VAL HA . 15633 1 1048 . 2 1 25 25 VAL HB H 1 2.179 0.020 . 1 . . . . 223 VAL HB . 15633 1 1049 . 2 1 25 25 VAL HG11 H 1 0.879 0.020 . 2 . . . . 223 VAL QG1 . 15633 1 1050 . 2 1 25 25 VAL HG12 H 1 0.879 0.020 . 2 . . . . 223 VAL QG1 . 15633 1 1051 . 2 1 25 25 VAL HG13 H 1 0.879 0.020 . 2 . . . . 223 VAL QG1 . 15633 1 1052 . 2 1 25 25 VAL HG21 H 1 0.879 0.020 . 2 . . . . 223 VAL QG2 . 15633 1 1053 . 2 1 25 25 VAL HG22 H 1 0.879 0.020 . 2 . . . . 223 VAL QG2 . 15633 1 1054 . 2 1 25 25 VAL HG23 H 1 0.879 0.020 . 2 . . . . 223 VAL QG2 . 15633 1 1055 . 2 1 25 25 VAL C C 13 175.755 0.1 . 1 . . . . 223 VAL C . 15633 1 1056 . 2 1 25 25 VAL CA C 13 62.859 0.1 . 1 . . . . 223 VAL CA . 15633 1 1057 . 2 1 25 25 VAL CB C 13 33.432 0.1 . 1 . . . . 223 VAL CB . 15633 1 1058 . 2 1 25 25 VAL CG1 C 13 22.794 0.045 . 1 . . . . 223 VAL CG1 . 15633 1 1059 . 2 1 25 25 VAL CG2 C 13 22.687 0.1 . 1 . . . . 223 VAL CG2 . 15633 1 1060 . 2 1 25 25 VAL N N 15 119.883 0.1 . 1 . . . . 223 VAL N . 15633 1 1061 . 2 1 26 26 LYS H H 1 9.527 0.007 . 1 . . . . 224 LYS H . 15633 1 1062 . 2 1 26 26 LYS HA H 1 4.298 0.020 . 1 . . . . 224 LYS HA . 15633 1 1063 . 2 1 26 26 LYS HB2 H 1 1.267 0.001 . 2 . . . . 224 LYS HB2 . 15633 1 1064 . 2 1 26 26 LYS HB3 H 1 1.619 0.009 . 2 . . . . 224 LYS HB3 . 15633 1 1065 . 2 1 26 26 LYS HD2 H 1 1.631 0.005 . 2 . . . . 224 LYS HD2 . 15633 1 1066 . 2 1 26 26 LYS HD3 H 1 1.631 0.005 . 2 . . . . 224 LYS HD3 . 15633 1 1067 . 2 1 26 26 LYS HE2 H 1 3.045 0.001 . 2 . . . . 224 LYS HE2 . 15633 1 1068 . 2 1 26 26 LYS HE3 H 1 3.045 0.001 . 2 . . . . 224 LYS HE3 . 15633 1 1069 . 2 1 26 26 LYS HG2 H 1 1.328 0.002 . 2 . . . . 224 LYS HG2 . 15633 1 1070 . 2 1 26 26 LYS HG3 H 1 1.424 0.020 . 2 . . . . 224 LYS HG3 . 15633 1 1071 . 2 1 26 26 LYS C C 13 176.634 0.1 . 1 . . . . 224 LYS C . 15633 1 1072 . 2 1 26 26 LYS CA C 13 58.989 0.1 . 1 . . . . 224 LYS CA . 15633 1 1073 . 2 1 26 26 LYS CB C 13 34.390 0.1 . 1 . . . . 224 LYS CB . 15633 1 1074 . 2 1 26 26 LYS CD C 13 30.263 0.1 . 1 . . . . 224 LYS CD . 15633 1 1075 . 2 1 26 26 LYS CE C 13 42.132 0.1 . 1 . . . . 224 LYS CE . 15633 1 1076 . 2 1 26 26 LYS CG C 13 25.843 0.1 . 1 . . . . 224 LYS CG . 15633 1 1077 . 2 1 26 26 LYS N N 15 128.312 0.1 . 1 . . . . 224 LYS N . 15633 1 1078 . 2 1 27 27 HIS H H 1 7.214 0.005 . 1 . . . . 225 HIS H . 15633 1 1079 . 2 1 27 27 HIS HA H 1 4.951 0.003 . 1 . . . . 225 HIS HA . 15633 1 1080 . 2 1 27 27 HIS HB2 H 1 3.655 0.003 . 2 . . . . 225 HIS HB2 . 15633 1 1081 . 2 1 27 27 HIS HB3 H 1 3.056 0.010 . 2 . . . . 225 HIS HB3 . 15633 1 1082 . 2 1 27 27 HIS HD2 H 1 6.538 0.005 . 1 . . . . 225 HIS HD2 . 15633 1 1083 . 2 1 27 27 HIS HE1 H 1 7.874 0.020 . 1 . . . . 225 HIS HE1 . 15633 1 1084 . 2 1 27 27 HIS C C 13 172.740 0.1 . 1 . . . . 225 HIS C . 15633 1 1085 . 2 1 27 27 HIS CA C 13 55.328 0.1 . 1 . . . . 225 HIS CA . 15633 1 1086 . 2 1 27 27 HIS CB C 13 32.882 0.1 . 1 . . . . 225 HIS CB . 15633 1 1087 . 2 1 27 27 HIS CD2 C 13 120.141 0.1 . 1 . . . . 225 HIS CD2 . 15633 1 1088 . 2 1 27 27 HIS CE1 C 13 138.518 0.1 . 1 . . . . 225 HIS CE1 . 15633 1 1089 . 2 1 27 27 HIS N N 15 109.505 0.1 . 1 . . . . 225 HIS N . 15633 1 1090 . 2 1 28 28 LEU H H 1 8.068 0.007 . 1 . . . . 226 LEU H . 15633 1 1091 . 2 1 28 28 LEU HA H 1 5.182 0.020 . 1 . . . . 226 LEU HA . 15633 1 1092 . 2 1 28 28 LEU HB2 H 1 1.702 0.020 . 2 . . . . 226 LEU HB2 . 15633 1 1093 . 2 1 28 28 LEU HB3 H 1 1.245 0.020 . 2 . . . . 226 LEU HB3 . 15633 1 1094 . 2 1 28 28 LEU HD11 H 1 0.745 0.008 . 2 . . . . 226 LEU QD1 . 15633 1 1095 . 2 1 28 28 LEU HD12 H 1 0.745 0.008 . 2 . . . . 226 LEU QD1 . 15633 1 1096 . 2 1 28 28 LEU HD13 H 1 0.745 0.008 . 2 . . . . 226 LEU QD1 . 15633 1 1097 . 2 1 28 28 LEU HD21 H 1 0.531 0.005 . 2 . . . . 226 LEU QD2 . 15633 1 1098 . 2 1 28 28 LEU HD22 H 1 0.531 0.005 . 2 . . . . 226 LEU QD2 . 15633 1 1099 . 2 1 28 28 LEU HD23 H 1 0.531 0.005 . 2 . . . . 226 LEU QD2 . 15633 1 1100 . 2 1 28 28 LEU HG H 1 1.429 0.020 . 1 . . . . 226 LEU HG . 15633 1 1101 . 2 1 28 28 LEU C C 13 175.346 0.1 . 1 . . . . 226 LEU C . 15633 1 1102 . 2 1 28 28 LEU CA C 13 53.466 0.1 . 1 . . . . 226 LEU CA . 15633 1 1103 . 2 1 28 28 LEU CB C 13 45.200 0.1 . 1 . . . . 226 LEU CB . 15633 1 1104 . 2 1 28 28 LEU CD1 C 13 23.949 0.1 . 1 . . . . 226 LEU CD1 . 15633 1 1105 . 2 1 28 28 LEU CD2 C 13 26.349 0.1 . 1 . . . . 226 LEU CD2 . 15633 1 1106 . 2 1 28 28 LEU CG C 13 26.601 0.1 . 1 . . . . 226 LEU CG . 15633 1 1107 . 2 1 28 28 LEU N N 15 116.963 0.1 . 1 . . . . 226 LEU N . 15633 1 1108 . 2 1 29 29 LYS H H 1 9.549 0.007 . 1 . . . . 227 LYS H . 15633 1 1109 . 2 1 29 29 LYS HA H 1 5.374 0.020 . 1 . . . . 227 LYS HA . 15633 1 1110 . 2 1 29 29 LYS HB2 H 1 1.561 0.001 . 2 . . . . 227 LYS HB2 . 15633 1 1111 . 2 1 29 29 LYS HB3 H 1 1.561 0.001 . 2 . . . . 227 LYS HB3 . 15633 1 1112 . 2 1 29 29 LYS HD2 H 1 1.098 0.020 . 2 . . . . 227 LYS HD2 . 15633 1 1113 . 2 1 29 29 LYS HD3 H 1 0.917 0.020 . 2 . . . . 227 LYS HD3 . 15633 1 1114 . 2 1 29 29 LYS HE2 H 1 2.446 0.020 . 2 . . . . 227 LYS HE2 . 15633 1 1115 . 2 1 29 29 LYS HE3 H 1 2.243 0.001 . 2 . . . . 227 LYS HE3 . 15633 1 1116 . 2 1 29 29 LYS HG2 H 1 1.257 0.020 . 2 . . . . 227 LYS HG2 . 15633 1 1117 . 2 1 29 29 LYS HG3 H 1 1.040 0.020 . 2 . . . . 227 LYS HG3 . 15633 1 1118 . 2 1 29 29 LYS C C 13 174.716 0.1 . 1 . . . . 227 LYS C . 15633 1 1119 . 2 1 29 29 LYS CA C 13 55.118 0.1 . 1 . . . . 227 LYS CA . 15633 1 1120 . 2 1 29 29 LYS CB C 13 35.144 0.1 . 1 . . . . 227 LYS CB . 15633 1 1121 . 2 1 29 29 LYS CD C 13 29.884 0.1 . 1 . . . . 227 LYS CD . 15633 1 1122 . 2 1 29 29 LYS CE C 13 41.501 0.1 . 1 . . . . 227 LYS CE . 15633 1 1123 . 2 1 29 29 LYS CG C 13 25.710 0.052 . 1 . . . . 227 LYS CG . 15633 1 1124 . 2 1 29 29 LYS N N 15 123.299 0.1 . 1 . . . . 227 LYS N . 15633 1 1125 . 2 1 30 30 ILE H H 1 9.138 0.006 . 1 . . . . 228 ILE H . 15633 1 1126 . 2 1 30 30 ILE HA H 1 4.910 0.004 . 1 . . . . 228 ILE HA . 15633 1 1127 . 2 1 30 30 ILE HB H 1 1.861 0.012 . 1 . . . . 228 ILE HB . 15633 1 1128 . 2 1 30 30 ILE HD11 H 1 0.755 0.020 . 1 . . . . 228 ILE QD1 . 15633 1 1129 . 2 1 30 30 ILE HD12 H 1 0.755 0.020 . 1 . . . . 228 ILE QD1 . 15633 1 1130 . 2 1 30 30 ILE HD13 H 1 0.755 0.020 . 1 . . . . 228 ILE QD1 . 15633 1 1131 . 2 1 30 30 ILE HG12 H 1 1.505 0.005 . 2 . . . . 228 ILE HG12 . 15633 1 1132 . 2 1 30 30 ILE HG13 H 1 1.149 0.003 . 2 . . . . 228 ILE HG13 . 15633 1 1133 . 2 1 30 30 ILE HG21 H 1 0.959 0.020 . 1 . . . . 228 ILE QG2 . 15633 1 1134 . 2 1 30 30 ILE HG22 H 1 0.959 0.020 . 1 . . . . 228 ILE QG2 . 15633 1 1135 . 2 1 30 30 ILE HG23 H 1 0.959 0.020 . 1 . . . . 228 ILE QG2 . 15633 1 1136 . 2 1 30 30 ILE C C 13 176.970 0.1 . 1 . . . . 228 ILE C . 15633 1 1137 . 2 1 30 30 ILE CA C 13 60.390 0.1 . 1 . . . . 228 ILE CA . 15633 1 1138 . 2 1 30 30 ILE CB C 13 39.603 0.1 . 1 . . . . 228 ILE CB . 15633 1 1139 . 2 1 30 30 ILE CD1 C 13 14.101 0.1 . 1 . . . . 228 ILE CD1 . 15633 1 1140 . 2 1 30 30 ILE CG1 C 13 27.631 0.1 . 1 . . . . 228 ILE CG1 . 15633 1 1141 . 2 1 30 30 ILE CG2 C 13 18.571 0.1 . 1 . . . . 228 ILE CG2 . 15633 1 1142 . 2 1 30 30 ILE N N 15 123.823 0.1 . 1 . . . . 228 ILE N . 15633 1 1143 . 2 1 31 31 LEU H H 1 8.866 0.005 . 1 . . . . 229 LEU H . 15633 1 1144 . 2 1 31 31 LEU HA H 1 4.593 0.003 . 1 . . . . 229 LEU HA . 15633 1 1145 . 2 1 31 31 LEU HB2 H 1 1.711 0.001 . 2 . . . . 229 LEU HB2 . 15633 1 1146 . 2 1 31 31 LEU HB3 H 1 1.876 0.020 . 2 . . . . 229 LEU HB3 . 15633 1 1147 . 2 1 31 31 LEU HD11 H 1 0.912 0.005 . 2 . . . . 229 LEU QD1 . 15633 1 1148 . 2 1 31 31 LEU HD12 H 1 0.912 0.005 . 2 . . . . 229 LEU QD1 . 15633 1 1149 . 2 1 31 31 LEU HD13 H 1 0.912 0.005 . 2 . . . . 229 LEU QD1 . 15633 1 1150 . 2 1 31 31 LEU HD21 H 1 0.830 0.020 . 2 . . . . 229 LEU QD2 . 15633 1 1151 . 2 1 31 31 LEU HD22 H 1 0.830 0.020 . 2 . . . . 229 LEU QD2 . 15633 1 1152 . 2 1 31 31 LEU HD23 H 1 0.830 0.020 . 2 . . . . 229 LEU QD2 . 15633 1 1153 . 2 1 31 31 LEU C C 13 175.975 0.1 . 1 . . . . 229 LEU C . 15633 1 1154 . 2 1 31 31 LEU CA C 13 55.474 0.1 . 1 . . . . 229 LEU CA . 15633 1 1155 . 2 1 31 31 LEU CB C 13 42.749 0.1 . 1 . . . . 229 LEU CB . 15633 1 1156 . 2 1 31 31 LEU CD1 C 13 25.591 0.1 . 1 . . . . 229 LEU CD1 . 15633 1 1157 . 2 1 31 31 LEU CD2 C 13 23.101 0.1 . 1 . . . . 229 LEU CD2 . 15633 1 1158 . 2 1 31 31 LEU N N 15 128.835 0.1 . 1 . . . . 229 LEU N . 15633 1 1159 . 2 1 32 32 ASN H H 1 8.211 0.020 . 1 . . . . 230 ASN H . 15633 1 1160 . 2 1 32 32 ASN HA H 1 4.998 0.020 . 1 . . . . 230 ASN HA . 15633 1 1161 . 2 1 32 32 ASN HB2 H 1 2.389 0.020 . 2 . . . . 230 ASN HB2 . 15633 1 1162 . 2 1 32 32 ASN HB3 H 1 2.903 0.020 . 2 . . . . 230 ASN HB3 . 15633 1 1163 . 2 1 32 32 ASN HD21 H 1 7.629 0.004 . 2 . . . . 230 ASN HD21 . 15633 1 1164 . 2 1 32 32 ASN HD22 H 1 6.295 0.003 . 2 . . . . 230 ASN HD22 . 15633 1 1165 . 2 1 32 32 ASN C C 13 174.658 0.1 . 1 . . . . 230 ASN C . 15633 1 1166 . 2 1 32 32 ASN CA C 13 52.524 0.1 . 1 . . . . 230 ASN CA . 15633 1 1167 . 2 1 32 32 ASN CB C 13 38.978 0.1 . 1 . . . . 230 ASN CB . 15633 1 1168 . 2 1 32 32 ASN N N 15 120.696 0.1 . 1 . . . . 230 ASN N . 15633 1 1169 . 2 1 32 32 ASN ND2 N 15 111.827 0.016 . 1 . . . . 230 ASN ND2 . 15633 1 1170 . 2 1 33 33 THR H H 1 7.925 0.020 . 1 . . . . 231 THR H . 15633 1 1171 . 2 1 33 33 THR HA H 1 4.784 0.003 . 1 . . . . 231 THR HA . 15633 1 1172 . 2 1 33 33 THR HB H 1 4.159 0.004 . 1 . . . . 231 THR HB . 15633 1 1173 . 2 1 33 33 THR HG21 H 1 1.210 0.004 . 1 . . . . 231 THR QG2 . 15633 1 1174 . 2 1 33 33 THR HG22 H 1 1.210 0.004 . 1 . . . . 231 THR QG2 . 15633 1 1175 . 2 1 33 33 THR HG23 H 1 1.210 0.004 . 1 . . . . 231 THR QG2 . 15633 1 1176 . 2 1 33 33 THR CA C 13 58.046 0.1 . 1 . . . . 231 THR CA . 15633 1 1177 . 2 1 33 33 THR CB C 13 70.341 0.1 . 1 . . . . 231 THR CB . 15633 1 1178 . 2 1 33 33 THR CG2 C 13 22.130 0.1 . 1 . . . . 231 THR CG2 . 15633 1 1179 . 2 1 33 33 THR N N 15 116.303 0.1 . 1 . . . . 231 THR N . 15633 1 1180 . 2 1 34 34 PRO HA H 1 4.300 0.002 . 1 . . . . 232 PRO HA . 15633 1 1181 . 2 1 34 34 PRO HB2 H 1 2.346 0.020 . 2 . . . . 232 PRO HB2 . 15633 1 1182 . 2 1 34 34 PRO HB3 H 1 1.876 0.019 . 2 . . . . 232 PRO HB3 . 15633 1 1183 . 2 1 34 34 PRO HD2 H 1 3.758 0.003 . 2 . . . . 232 PRO HD2 . 15633 1 1184 . 2 1 34 34 PRO HD3 H 1 3.758 0.003 . 2 . . . . 232 PRO HD3 . 15633 1 1185 . 2 1 34 34 PRO HG2 H 1 2.085 0.001 . 2 . . . . 232 PRO HG2 . 15633 1 1186 . 2 1 34 34 PRO HG3 H 1 1.965 0.020 . 2 . . . . 232 PRO HG3 . 15633 1 1187 . 2 1 34 34 PRO C C 13 176.765 0.1 . 1 . . . . 232 PRO C . 15633 1 1188 . 2 1 34 34 PRO CA C 13 65.164 0.1 . 1 . . . . 232 PRO CA . 15633 1 1189 . 2 1 34 34 PRO CB C 13 32.484 0.1 . 1 . . . . 232 PRO CB . 15633 1 1190 . 2 1 34 34 PRO CD C 13 51.251 0.1 . 1 . . . . 232 PRO CD . 15633 1 1191 . 2 1 34 34 PRO CG C 13 27.631 0.1 . 1 . . . . 232 PRO CG . 15633 1 1192 . 2 1 35 35 ASN H H 1 8.294 0.003 . 1 . . . . 233 ASN H . 15633 1 1193 . 2 1 35 35 ASN C C 13 174.541 0.1 . 1 . . . . 233 ASN C . 15633 1 1194 . 2 1 35 35 ASN N N 15 120.212 0.082 . 1 . . . . 233 ASN N . 15633 1 1195 . 2 1 36 36 CYS H H 1 7.561 0.008 . 1 . . . . 234 CYS H . 15633 1 1196 . 2 1 36 36 CYS HA H 1 4.884 0.020 . 1 . . . . 234 CYS HA . 15633 1 1197 . 2 1 36 36 CYS HB2 H 1 3.141 0.002 . 2 . . . . 234 CYS HB2 . 15633 1 1198 . 2 1 36 36 CYS HB3 H 1 2.970 0.005 . 2 . . . . 234 CYS HB3 . 15633 1 1199 . 2 1 36 36 CYS C C 13 173.838 0.1 . 1 . . . . 234 CYS C . 15633 1 1200 . 2 1 36 36 CYS CA C 13 55.139 0.1 . 1 . . . . 234 CYS CA . 15633 1 1201 . 2 1 36 36 CYS CB C 13 45.200 0.1 . 1 . . . . 234 CYS CB . 15633 1 1202 . 2 1 36 36 CYS N N 15 116.986 0.040 . 1 . . . . 234 CYS N . 15633 1 1203 . 2 1 37 37 ALA H H 1 8.520 0.020 . 1 . . . . 235 ALA H . 15633 1 1204 . 2 1 37 37 ALA HA H 1 4.233 0.020 . 1 . . . . 235 ALA HA . 15633 1 1205 . 2 1 37 37 ALA HB1 H 1 1.440 0.020 . 1 . . . . 235 ALA QB . 15633 1 1206 . 2 1 37 37 ALA HB2 H 1 1.440 0.020 . 1 . . . . 235 ALA QB . 15633 1 1207 . 2 1 37 37 ALA HB3 H 1 1.440 0.020 . 1 . . . . 235 ALA QB . 15633 1 1208 . 2 1 37 37 ALA C C 13 176.326 0.1 . 1 . . . . 235 ALA C . 15633 1 1209 . 2 1 37 37 ALA CA C 13 53.152 0.1 . 1 . . . . 235 ALA CA . 15633 1 1210 . 2 1 37 37 ALA CB C 13 18.930 0.1 . 1 . . . . 235 ALA CB . 15633 1 1211 . 2 1 37 37 ALA N N 15 125.167 0.1 . 1 . . . . 235 ALA N . 15633 1 1212 . 2 1 38 38 CYS H H 1 8.343 0.020 . 1 . . . . 236 CYS H . 15633 1 1213 . 2 1 38 38 CYS HA H 1 4.213 0.002 . 1 . . . . 236 CYS HA . 15633 1 1214 . 2 1 38 38 CYS HB2 H 1 2.652 0.012 . 2 . . . . 236 CYS HB2 . 15633 1 1215 . 2 1 38 38 CYS HB3 H 1 3.480 0.020 . 2 . . . . 236 CYS HB3 . 15633 1 1216 . 2 1 38 38 CYS C C 13 173.589 0.1 . 1 . . . . 236 CYS C . 15633 1 1217 . 2 1 38 38 CYS CA C 13 58.487 0.062 . 1 . . . . 236 CYS CA . 15633 1 1218 . 2 1 38 38 CYS CB C 13 45.702 0.1 . 1 . . . . 236 CYS CB . 15633 1 1219 . 2 1 38 38 CYS N N 15 118.786 0.1 . 1 . . . . 236 CYS N . 15633 1 1220 . 2 1 39 39 GLN H H 1 8.988 0.005 . 1 . . . . 237 GLN H . 15633 1 1221 . 2 1 39 39 GLN HA H 1 4.573 0.020 . 1 . . . . 237 GLN HA . 15633 1 1222 . 2 1 39 39 GLN HB2 H 1 2.314 0.004 . 2 . . . . 237 GLN HB2 . 15633 1 1223 . 2 1 39 39 GLN HB3 H 1 1.827 0.020 . 2 . . . . 237 GLN HB3 . 15633 1 1224 . 2 1 39 39 GLN HE21 H 1 7.264 0.003 . 2 . . . . 237 GLN HE21 . 15633 1 1225 . 2 1 39 39 GLN HE22 H 1 6.894 0.002 . 2 . . . . 237 GLN HE22 . 15633 1 1226 . 2 1 39 39 GLN HG2 H 1 2.589 0.009 . 2 . . . . 237 GLN HG2 . 15633 1 1227 . 2 1 39 39 GLN HG3 H 1 2.306 0.007 . 2 . . . . 237 GLN HG3 . 15633 1 1228 . 2 1 39 39 GLN C C 13 173.545 0.1 . 1 . . . . 237 GLN C . 15633 1 1229 . 2 1 39 39 GLN CA C 13 54.491 0.1 . 1 . . . . 237 GLN CA . 15633 1 1230 . 2 1 39 39 GLN CB C 13 31.876 0.1 . 1 . . . . 237 GLN CB . 15633 1 1231 . 2 1 39 39 GLN CG C 13 34.426 0.1 . 1 . . . . 237 GLN CG . 15633 1 1232 . 2 1 39 39 GLN N N 15 128.825 0.1 . 1 . . . . 237 GLN N . 15633 1 1233 . 2 1 39 39 GLN NE2 N 15 113.029 0.001 . 1 . . . . 237 GLN NE2 . 15633 1 1234 . 2 1 40 40 ILE H H 1 8.967 0.020 . 1 . . . . 238 ILE H . 15633 1 1235 . 2 1 40 40 ILE HA H 1 5.095 0.004 . 1 . . . . 238 ILE HA . 15633 1 1236 . 2 1 40 40 ILE HB H 1 1.770 0.007 . 1 . . . . 238 ILE HB . 15633 1 1237 . 2 1 40 40 ILE HD11 H 1 0.715 0.003 . 1 . . . . 238 ILE QD1 . 15633 1 1238 . 2 1 40 40 ILE HD12 H 1 0.715 0.003 . 1 . . . . 238 ILE QD1 . 15633 1 1239 . 2 1 40 40 ILE HD13 H 1 0.715 0.003 . 1 . . . . 238 ILE QD1 . 15633 1 1240 . 2 1 40 40 ILE HG12 H 1 0.973 0.003 . 2 . . . . 238 ILE HG12 . 15633 1 1241 . 2 1 40 40 ILE HG13 H 1 0.973 0.003 . 2 . . . . 238 ILE HG13 . 15633 1 1242 . 2 1 40 40 ILE HG21 H 1 0.723 0.008 . 1 . . . . 238 ILE QG2 . 15633 1 1243 . 2 1 40 40 ILE HG22 H 1 0.723 0.008 . 1 . . . . 238 ILE QG2 . 15633 1 1244 . 2 1 40 40 ILE HG23 H 1 0.723 0.008 . 1 . . . . 238 ILE QG2 . 15633 1 1245 . 2 1 40 40 ILE C C 13 174.336 0.1 . 1 . . . . 238 ILE C . 15633 1 1246 . 2 1 40 40 ILE CA C 13 60.620 0.1 . 1 . . . . 238 ILE CA . 15633 1 1247 . 2 1 40 40 ILE CB C 13 40.235 0.1 . 1 . . . . 238 ILE CB . 15633 1 1248 . 2 1 40 40 ILE CD1 C 13 14.101 0.1 . 1 . . . . 238 ILE CD1 . 15633 1 1249 . 2 1 40 40 ILE CG1 C 13 28.243 0.1 . 1 . . . . 238 ILE CG1 . 15633 1 1250 . 2 1 40 40 ILE CG2 C 13 19.278 0.1 . 1 . . . . 238 ILE CG2 . 15633 1 1251 . 2 1 40 40 ILE N N 15 124.006 0.1 . 1 . . . . 238 ILE N . 15633 1 1252 . 2 1 41 41 VAL H H 1 9.130 0.009 . 1 . . . . 239 VAL H . 15633 1 1253 . 2 1 41 41 VAL HA H 1 4.926 0.008 . 1 . . . . 239 VAL HA . 15633 1 1254 . 2 1 41 41 VAL HB H 1 1.795 0.002 . 1 . . . . 239 VAL HB . 15633 1 1255 . 2 1 41 41 VAL HG11 H 1 0.905 0.003 . 2 . . . . 239 VAL QG1 . 15633 1 1256 . 2 1 41 41 VAL HG12 H 1 0.905 0.003 . 2 . . . . 239 VAL QG1 . 15633 1 1257 . 2 1 41 41 VAL HG13 H 1 0.905 0.003 . 2 . . . . 239 VAL QG1 . 15633 1 1258 . 2 1 41 41 VAL HG21 H 1 0.842 0.007 . 2 . . . . 239 VAL QG2 . 15633 1 1259 . 2 1 41 41 VAL HG22 H 1 0.842 0.007 . 2 . . . . 239 VAL QG2 . 15633 1 1260 . 2 1 41 41 VAL HG23 H 1 0.842 0.007 . 2 . . . . 239 VAL QG2 . 15633 1 1261 . 2 1 41 41 VAL C C 13 175.492 0.1 . 1 . . . . 239 VAL C . 15633 1 1262 . 2 1 41 41 VAL CA C 13 59.993 0.1 . 1 . . . . 239 VAL CA . 15633 1 1263 . 2 1 41 41 VAL CB C 13 35.270 0.1 . 1 . . . . 239 VAL CB . 15633 1 1264 . 2 1 41 41 VAL CG1 C 13 21.483 0.1 . 1 . . . . 239 VAL CG1 . 15633 1 1265 . 2 1 41 41 VAL CG2 C 13 22.454 0.1 . 1 . . . . 239 VAL CG2 . 15633 1 1266 . 2 1 41 41 VAL N N 15 125.973 0.1 . 1 . . . . 239 VAL N . 15633 1 1267 . 2 1 42 42 ALA H H 1 9.558 0.005 . 1 . . . . 240 ALA H . 15633 1 1268 . 2 1 42 42 ALA HA H 1 5.123 0.008 . 1 . . . . 240 ALA HA . 15633 1 1269 . 2 1 42 42 ALA HB1 H 1 1.319 0.006 . 1 . . . . 240 ALA QB . 15633 1 1270 . 2 1 42 42 ALA HB2 H 1 1.319 0.006 . 1 . . . . 240 ALA QB . 15633 1 1271 . 2 1 42 42 ALA HB3 H 1 1.319 0.006 . 1 . . . . 240 ALA QB . 15633 1 1272 . 2 1 42 42 ALA C C 13 175.931 0.1 . 1 . . . . 240 ALA C . 15633 1 1273 . 2 1 42 42 ALA CA C 13 50.558 0.1 . 1 . . . . 240 ALA CA . 15633 1 1274 . 2 1 42 42 ALA CB C 13 22.072 0.1 . 1 . . . . 240 ALA CB . 15633 1 1275 . 2 1 42 42 ALA N N 15 128.264 0.1 . 1 . . . . 240 ALA N . 15633 1 1276 . 2 1 43 43 ARG H H 1 7.707 0.008 . 1 . . . . 241 ARG H . 15633 1 1277 . 2 1 43 43 ARG HA H 1 4.966 0.004 . 1 . . . . 241 ARG HA . 15633 1 1278 . 2 1 43 43 ARG HB2 H 1 1.434 0.020 . 2 . . . . 241 ARG HB2 . 15633 1 1279 . 2 1 43 43 ARG HB3 H 1 0.944 0.007 . 2 . . . . 241 ARG HB3 . 15633 1 1280 . 2 1 43 43 ARG HD2 H 1 3.081 0.003 . 2 . . . . 241 ARG HD2 . 15633 1 1281 . 2 1 43 43 ARG HD3 H 1 3.081 0.003 . 2 . . . . 241 ARG HD3 . 15633 1 1282 . 2 1 43 43 ARG HG2 H 1 1.506 0.008 . 2 . . . . 241 ARG HG2 . 15633 1 1283 . 2 1 43 43 ARG HG3 H 1 1.379 0.007 . 2 . . . . 241 ARG HG3 . 15633 1 1284 . 2 1 43 43 ARG C C 13 175.477 0.1 . 1 . . . . 241 ARG C . 15633 1 1285 . 2 1 43 43 ARG CA C 13 54.000 0.1 . 1 . . . . 241 ARG CA . 15633 1 1286 . 2 1 43 43 ARG CB C 13 31.122 0.1 . 1 . . . . 241 ARG CB . 15633 1 1287 . 2 1 43 43 ARG CD C 13 42.400 0.043 . 1 . . . . 241 ARG CD . 15633 1 1288 . 2 1 43 43 ARG CG C 13 27.307 0.1 . 1 . . . . 241 ARG CG . 15633 1 1289 . 2 1 43 43 ARG N N 15 121.647 0.1 . 1 . . . . 241 ARG N . 15633 1 1290 . 2 1 44 44 LEU H H 1 9.183 0.007 . 1 . . . . 242 LEU H . 15633 1 1291 . 2 1 44 44 LEU HA H 1 5.009 0.007 . 1 . . . . 242 LEU HA . 15633 1 1292 . 2 1 44 44 LEU HB2 H 1 2.180 0.002 . 2 . . . . 242 LEU HB2 . 15633 1 1293 . 2 1 44 44 LEU HB3 H 1 1.771 0.008 . 2 . . . . 242 LEU HB3 . 15633 1 1294 . 2 1 44 44 LEU HD11 H 1 1.005 0.007 . 2 . . . . 242 LEU QD1 . 15633 1 1295 . 2 1 44 44 LEU HD12 H 1 1.005 0.007 . 2 . . . . 242 LEU QD1 . 15633 1 1296 . 2 1 44 44 LEU HD13 H 1 1.005 0.007 . 2 . . . . 242 LEU QD1 . 15633 1 1297 . 2 1 44 44 LEU HD21 H 1 0.775 0.001 . 2 . . . . 242 LEU QD2 . 15633 1 1298 . 2 1 44 44 LEU HD22 H 1 0.775 0.001 . 2 . . . . 242 LEU QD2 . 15633 1 1299 . 2 1 44 44 LEU HD23 H 1 0.775 0.001 . 2 . . . . 242 LEU QD2 . 15633 1 1300 . 2 1 44 44 LEU HG H 1 1.787 0.006 . 1 . . . . 242 LEU HG . 15633 1 1301 . 2 1 44 44 LEU C C 13 177.848 0.1 . 1 . . . . 242 LEU C . 15633 1 1302 . 2 1 44 44 LEU CA C 13 54.596 0.1 . 1 . . . . 242 LEU CA . 15633 1 1303 . 2 1 44 44 LEU CB C 13 41.806 0.1 . 1 . . . . 242 LEU CB . 15633 1 1304 . 2 1 44 44 LEU CD1 C 13 25.843 0.1 . 1 . . . . 242 LEU CD1 . 15633 1 1305 . 2 1 44 44 LEU CD2 C 13 23.192 0.1 . 1 . . . . 242 LEU CD2 . 15633 1 1306 . 2 1 44 44 LEU CG C 13 27.716 0.042 . 1 . . . . 242 LEU CG . 15633 1 1307 . 2 1 44 44 LEU N N 15 128.821 0.1 . 1 . . . . 242 LEU N . 15633 1 1308 . 2 1 45 45 LYS H H 1 8.449 0.016 . 1 . . . . 243 LYS H . 15633 1 1309 . 2 1 45 45 LYS N N 15 119.659 0.1 . 1 . . . . 243 LYS N . 15633 1 1310 . 2 1 48 48 ASN HA H 1 4.716 0.020 . 1 . . . . 246 ASN HA . 15633 1 1311 . 2 1 48 48 ASN HB2 H 1 3.138 0.020 . 2 . . . . 246 ASN HB2 . 15633 1 1312 . 2 1 48 48 ASN HB3 H 1 2.742 0.020 . 2 . . . . 246 ASN HB3 . 15633 1 1313 . 2 1 48 48 ASN HD21 H 1 7.628 0.002 . 2 . . . . 246 ASN HD21 . 15633 1 1314 . 2 1 48 48 ASN HD22 H 1 6.966 0.001 . 2 . . . . 246 ASN HD22 . 15633 1 1315 . 2 1 48 48 ASN C C 13 175.155 0.1 . 1 . . . . 246 ASN C . 15633 1 1316 . 2 1 48 48 ASN CA C 13 54.616 0.1 . 1 . . . . 246 ASN CA . 15633 1 1317 . 2 1 48 48 ASN CB C 13 39.292 0.1 . 1 . . . . 246 ASN CB . 15633 1 1318 . 2 1 48 48 ASN ND2 N 15 113.245 0.1 . 1 . . . . 246 ASN ND2 . 15633 1 1319 . 2 1 49 49 ARG H H 1 7.926 0.005 . 1 . . . . 247 ARG H . 15633 1 1320 . 2 1 49 49 ARG HA H 1 4.274 0.020 . 1 . . . . 247 ARG HA . 15633 1 1321 . 2 1 49 49 ARG HB2 H 1 1.767 0.001 . 2 . . . . 247 ARG HB2 . 15633 1 1322 . 2 1 49 49 ARG HB3 H 1 1.767 0.001 . 2 . . . . 247 ARG HB3 . 15633 1 1323 . 2 1 49 49 ARG HD2 H 1 3.238 0.020 . 2 . . . . 247 ARG HD2 . 15633 1 1324 . 2 1 49 49 ARG HD3 H 1 3.173 0.001 . 2 . . . . 247 ARG HD3 . 15633 1 1325 . 2 1 49 49 ARG HG2 H 1 1.650 0.001 . 2 . . . . 247 ARG HG2 . 15633 1 1326 . 2 1 49 49 ARG HG3 H 1 1.573 0.020 . 2 . . . . 247 ARG HG3 . 15633 1 1327 . 2 1 49 49 ARG C C 13 175.433 0.1 . 1 . . . . 247 ARG C . 15633 1 1328 . 2 1 49 49 ARG CA C 13 57.252 0.1 . 1 . . . . 247 ARG CA . 15633 1 1329 . 2 1 49 49 ARG CB C 13 32.128 0.1 . 1 . . . . 247 ARG CB . 15633 1 1330 . 2 1 49 49 ARG CD C 13 43.900 0.1 . 1 . . . . 247 ARG CD . 15633 1 1331 . 2 1 49 49 ARG CG C 13 28.278 0.1 . 1 . . . . 247 ARG CG . 15633 1 1332 . 2 1 49 49 ARG N N 15 120.086 0.1 . 1 . . . . 247 ARG N . 15633 1 1333 . 2 1 50 50 GLN H H 1 8.542 0.010 . 1 . . . . 248 GLN H . 15633 1 1334 . 2 1 50 50 GLN HA H 1 5.478 0.003 . 1 . . . . 248 GLN HA . 15633 1 1335 . 2 1 50 50 GLN HB2 H 1 1.876 0.001 . 2 . . . . 248 GLN HB2 . 15633 1 1336 . 2 1 50 50 GLN HB3 H 1 1.876 0.001 . 2 . . . . 248 GLN HB3 . 15633 1 1337 . 2 1 50 50 GLN HG2 H 1 2.356 0.002 . 2 . . . . 248 GLN HG2 . 15633 1 1338 . 2 1 50 50 GLN HG3 H 1 1.973 0.020 . 2 . . . . 248 GLN HG3 . 15633 1 1339 . 2 1 50 50 GLN C C 13 175.697 0.1 . 1 . . . . 248 GLN C . 15633 1 1340 . 2 1 50 50 GLN CA C 13 55.077 0.1 . 1 . . . . 248 GLN CA . 15633 1 1341 . 2 1 50 50 GLN CB C 13 31.751 0.1 . 1 . . . . 248 GLN CB . 15633 1 1342 . 2 1 50 50 GLN CG C 13 35.692 0.1 . 1 . . . . 248 GLN CG . 15633 1 1343 . 2 1 50 50 GLN N N 15 120.774 0.1 . 1 . . . . 248 GLN N . 15633 1 1344 . 2 1 51 51 VAL H H 1 8.710 0.009 . 1 . . . . 249 VAL H . 15633 1 1345 . 2 1 51 51 VAL HA H 1 4.781 0.001 . 1 . . . . 249 VAL HA . 15633 1 1346 . 2 1 51 51 VAL HB H 1 2.177 0.020 . 1 . . . . 249 VAL HB . 15633 1 1347 . 2 1 51 51 VAL HG11 H 1 0.940 0.009 . 2 . . . . 249 VAL QG1 . 15633 1 1348 . 2 1 51 51 VAL HG12 H 1 0.940 0.009 . 2 . . . . 249 VAL QG1 . 15633 1 1349 . 2 1 51 51 VAL HG13 H 1 0.940 0.009 . 2 . . . . 249 VAL QG1 . 15633 1 1350 . 2 1 51 51 VAL HG21 H 1 0.915 0.002 . 2 . . . . 249 VAL QG2 . 15633 1 1351 . 2 1 51 51 VAL HG22 H 1 0.915 0.002 . 2 . . . . 249 VAL QG2 . 15633 1 1352 . 2 1 51 51 VAL HG23 H 1 0.915 0.002 . 2 . . . . 249 VAL QG2 . 15633 1 1353 . 2 1 51 51 VAL C C 13 175.185 0.1 . 1 . . . . 249 VAL C . 15633 1 1354 . 2 1 51 51 VAL CA C 13 59.344 0.1 . 1 . . . . 249 VAL CA . 15633 1 1355 . 2 1 51 51 VAL CB C 13 36.024 0.1 . 1 . . . . 249 VAL CB . 15633 1 1356 . 2 1 51 51 VAL CG1 C 13 21.803 0.1 . 1 . . . . 249 VAL CG1 . 15633 1 1357 . 2 1 51 51 VAL CG2 C 13 19.783 0.1 . 1 . . . . 249 VAL CG2 . 15633 1 1358 . 2 1 51 51 VAL N N 15 117.392 0.1 . 1 . . . . 249 VAL N . 15633 1 1359 . 2 1 52 52 CYS H H 1 9.184 0.012 . 1 . . . . 250 CYS H . 15633 1 1360 . 2 1 52 52 CYS HA H 1 5.313 0.007 . 1 . . . . 250 CYS HA . 15633 1 1361 . 2 1 52 52 CYS HB2 H 1 3.631 0.003 . 2 . . . . 250 CYS HB2 . 15633 1 1362 . 2 1 52 52 CYS HB3 H 1 2.996 0.002 . 2 . . . . 250 CYS HB3 . 15633 1 1363 . 2 1 52 52 CYS C C 13 174.380 0.1 . 1 . . . . 250 CYS C . 15633 1 1364 . 2 1 52 52 CYS CA C 13 57.984 0.1 . 1 . . . . 250 CYS CA . 15633 1 1365 . 2 1 52 52 CYS CB C 13 42.661 0.115 . 1 . . . . 250 CYS CB . 15633 1 1366 . 2 1 52 52 CYS N N 15 124.238 0.1 . 1 . . . . 250 CYS N . 15633 1 1367 . 2 1 53 53 ILE H H 1 8.434 0.006 . 1 . . . . 251 ILE H . 15633 1 1368 . 2 1 53 53 ILE HA H 1 4.930 0.014 . 1 . . . . 251 ILE HA . 15633 1 1369 . 2 1 53 53 ILE HB H 1 1.540 0.006 . 1 . . . . 251 ILE HB . 15633 1 1370 . 2 1 53 53 ILE HD11 H 1 0.743 0.003 . 1 . . . . 251 ILE QD1 . 15633 1 1371 . 2 1 53 53 ILE HD12 H 1 0.743 0.003 . 1 . . . . 251 ILE QD1 . 15633 1 1372 . 2 1 53 53 ILE HD13 H 1 0.743 0.003 . 1 . . . . 251 ILE QD1 . 15633 1 1373 . 2 1 53 53 ILE HG12 H 1 1.334 0.003 . 2 . . . . 251 ILE HG12 . 15633 1 1374 . 2 1 53 53 ILE HG13 H 1 1.166 0.007 . 2 . . . . 251 ILE HG13 . 15633 1 1375 . 2 1 53 53 ILE HG21 H 1 0.740 0.008 . 1 . . . . 251 ILE QG2 . 15633 1 1376 . 2 1 53 53 ILE HG22 H 1 0.740 0.008 . 1 . . . . 251 ILE QG2 . 15633 1 1377 . 2 1 53 53 ILE HG23 H 1 0.740 0.008 . 1 . . . . 251 ILE QG2 . 15633 1 1378 . 2 1 53 53 ILE C C 13 172.931 0.1 . 1 . . . . 251 ILE C . 15633 1 1379 . 2 1 53 53 ILE CA C 13 58.675 0.1 . 1 . . . . 251 ILE CA . 15633 1 1380 . 2 1 53 53 ILE CB C 13 42.309 0.1 . 1 . . . . 251 ILE CB . 15633 1 1381 . 2 1 53 53 ILE CD1 C 13 14.858 0.1 . 1 . . . . 251 ILE CD1 . 15633 1 1382 . 2 1 53 53 ILE CG1 C 13 27.733 0.021 . 1 . . . . 251 ILE CG1 . 15633 1 1383 . 2 1 53 53 ILE CG2 C 13 18.141 0.1 . 1 . . . . 251 ILE CG2 . 15633 1 1384 . 2 1 53 53 ILE N N 15 122.034 0.1 . 1 . . . . 251 ILE N . 15633 1 1385 . 2 1 54 54 ASP H H 1 7.702 0.006 . 1 . . . . 252 ASP H . 15633 1 1386 . 2 1 54 54 ASP HA H 1 3.426 0.020 . 1 . . . . 252 ASP HA . 15633 1 1387 . 2 1 54 54 ASP HB2 H 1 2.662 0.020 . 2 . . . . 252 ASP HB2 . 15633 1 1388 . 2 1 54 54 ASP HB3 H 1 2.203 0.020 . 2 . . . . 252 ASP HB3 . 15633 1 1389 . 2 1 54 54 ASP CA C 13 51.251 0.1 . 1 . . . . 252 ASP CA . 15633 1 1390 . 2 1 54 54 ASP CB C 13 42.515 0.1 . 1 . . . . 252 ASP CB . 15633 1 1391 . 2 1 54 54 ASP N N 15 125.815 0.1 . 1 . . . . 252 ASP N . 15633 1 1392 . 2 1 55 55 PRO HA H 1 3.986 0.002 . 1 . . . . 253 PRO HA . 15633 1 1393 . 2 1 55 55 PRO HB2 H 1 2.172 0.002 . 2 . . . . 253 PRO HB2 . 15633 1 1394 . 2 1 55 55 PRO HB3 H 1 1.889 0.003 . 2 . . . . 253 PRO HB3 . 15633 1 1395 . 2 1 55 55 PRO HD2 H 1 3.426 0.020 . 2 . . . . 253 PRO HD2 . 15633 1 1396 . 2 1 55 55 PRO HD3 H 1 3.426 0.020 . 2 . . . . 253 PRO HD3 . 15633 1 1397 . 2 1 55 55 PRO HG2 H 1 1.895 0.020 . 2 . . . . 253 PRO HG2 . 15633 1 1398 . 2 1 55 55 PRO HG3 H 1 1.794 0.005 . 2 . . . . 253 PRO HG3 . 15633 1 1399 . 2 1 55 55 PRO C C 13 176.034 0.1 . 1 . . . . 253 PRO C . 15633 1 1400 . 2 1 55 55 PRO CA C 13 63.947 0.1 . 1 . . . . 253 PRO CA . 15633 1 1401 . 2 1 55 55 PRO CB C 13 33.000 0.1 . 1 . . . . 253 PRO CB . 15633 1 1402 . 2 1 55 55 PRO CD C 13 51.251 0.1 . 1 . . . . 253 PRO CD . 15633 1 1403 . 2 1 55 55 PRO CG C 13 27.643 0.033 . 1 . . . . 253 PRO CG . 15633 1 1404 . 2 1 56 56 LYS H H 1 7.889 0.008 . 1 . . . . 254 LYS H . 15633 1 1405 . 2 1 56 56 LYS HA H 1 3.993 0.001 . 1 . . . . 254 LYS HA . 15633 1 1406 . 2 1 56 56 LYS HB2 H 1 1.760 0.001 . 2 . . . . 254 LYS HB2 . 15633 1 1407 . 2 1 56 56 LYS HB3 H 1 1.760 0.001 . 2 . . . . 254 LYS HB3 . 15633 1 1408 . 2 1 56 56 LYS HD2 H 1 1.682 0.020 . 2 . . . . 254 LYS HD2 . 15633 1 1409 . 2 1 56 56 LYS HD3 H 1 1.682 0.020 . 2 . . . . 254 LYS HD3 . 15633 1 1410 . 2 1 56 56 LYS HE2 H 1 3.019 0.020 . 2 . . . . 254 LYS HE2 . 15633 1 1411 . 2 1 56 56 LYS HE3 H 1 3.019 0.020 . 2 . . . . 254 LYS HE3 . 15633 1 1412 . 2 1 56 56 LYS HG2 H 1 1.408 0.002 . 2 . . . . 254 LYS HG2 . 15633 1 1413 . 2 1 56 56 LYS HG3 H 1 1.333 0.020 . 2 . . . . 254 LYS HG3 . 15633 1 1414 . 2 1 56 56 LYS C C 13 177.922 0.1 . 1 . . . . 254 LYS C . 15633 1 1415 . 2 1 56 56 LYS CA C 13 56.729 0.1 . 1 . . . . 254 LYS CA . 15633 1 1416 . 2 1 56 56 LYS CB C 13 31.751 0.1 . 1 . . . . 254 LYS CB . 15633 1 1417 . 2 1 56 56 LYS CD C 13 29.000 0.1 . 1 . . . . 254 LYS CD . 15633 1 1418 . 2 1 56 56 LYS CE C 13 41.753 0.1 . 1 . . . . 254 LYS CE . 15633 1 1419 . 2 1 56 56 LYS CG C 13 25.212 0.1 . 1 . . . . 254 LYS CG . 15633 1 1420 . 2 1 56 56 LYS N N 15 112.456 0.1 . 1 . . . . 254 LYS N . 15633 1 1421 . 2 1 57 57 LEU H H 1 7.157 0.008 . 1 . . . . 255 LEU H . 15633 1 1422 . 2 1 57 57 LEU HA H 1 4.040 0.020 . 1 . . . . 255 LEU HA . 15633 1 1423 . 2 1 57 57 LEU HB2 H 1 1.246 0.002 . 2 . . . . 255 LEU HB2 . 15633 1 1424 . 2 1 57 57 LEU HB3 H 1 1.064 0.004 . 2 . . . . 255 LEU HB3 . 15633 1 1425 . 2 1 57 57 LEU HD11 H 1 1.068 0.004 . 2 . . . . 255 LEU QD1 . 15633 1 1426 . 2 1 57 57 LEU HD12 H 1 1.068 0.004 . 2 . . . . 255 LEU QD1 . 15633 1 1427 . 2 1 57 57 LEU HD13 H 1 1.068 0.004 . 2 . . . . 255 LEU QD1 . 15633 1 1428 . 2 1 57 57 LEU HD21 H 1 1.060 0.003 . 2 . . . . 255 LEU QD2 . 15633 1 1429 . 2 1 57 57 LEU HD22 H 1 1.060 0.003 . 2 . . . . 255 LEU QD2 . 15633 1 1430 . 2 1 57 57 LEU HD23 H 1 1.060 0.003 . 2 . . . . 255 LEU QD2 . 15633 1 1431 . 2 1 57 57 LEU HG H 1 1.907 0.008 . 1 . . . . 255 LEU HG . 15633 1 1432 . 2 1 57 57 LEU C C 13 179.268 0.1 . 1 . . . . 255 LEU C . 15633 1 1433 . 2 1 57 57 LEU CA C 13 55.997 0.1 . 1 . . . . 255 LEU CA . 15633 1 1434 . 2 1 57 57 LEU CB C 13 42.309 0.1 . 1 . . . . 255 LEU CB . 15633 1 1435 . 2 1 57 57 LEU CD1 C 13 25.717 0.1 . 1 . . . . 255 LEU CD1 . 15633 1 1436 . 2 1 57 57 LEU CD2 C 13 23.318 0.1 . 1 . . . . 255 LEU CD2 . 15633 1 1437 . 2 1 57 57 LEU CG C 13 26.878 0.050 . 1 . . . . 255 LEU CG . 15633 1 1438 . 2 1 57 57 LEU N N 15 120.452 0.1 . 1 . . . . 255 LEU N . 15633 1 1439 . 2 1 58 58 LYS H H 1 8.731 0.004 . 1 . . . . 256 LYS H . 15633 1 1440 . 2 1 58 58 LYS HA H 1 3.913 0.005 . 1 . . . . 256 LYS HA . 15633 1 1441 . 2 1 58 58 LYS HB2 H 1 2.018 0.020 . 2 . . . . 256 LYS HB2 . 15633 1 1442 . 2 1 58 58 LYS HB3 H 1 2.018 0.020 . 2 . . . . 256 LYS HB3 . 15633 1 1443 . 2 1 58 58 LYS HD2 H 1 1.801 0.003 . 2 . . . . 256 LYS HD2 . 15633 1 1444 . 2 1 58 58 LYS HD3 H 1 1.801 0.003 . 2 . . . . 256 LYS HD3 . 15633 1 1445 . 2 1 58 58 LYS HE2 H 1 3.080 0.010 . 2 . . . . 256 LYS HE2 . 15633 1 1446 . 2 1 58 58 LYS HE3 H 1 3.080 0.010 . 2 . . . . 256 LYS HE3 . 15633 1 1447 . 2 1 58 58 LYS HG2 H 1 1.578 0.006 . 2 . . . . 256 LYS HG2 . 15633 1 1448 . 2 1 58 58 LYS HG3 H 1 1.578 0.006 . 2 . . . . 256 LYS HG3 . 15633 1 1449 . 2 1 58 58 LYS C C 13 178.917 0.1 . 1 . . . . 256 LYS C . 15633 1 1450 . 2 1 58 58 LYS CA C 13 60.202 0.1 . 1 . . . . 256 LYS CA . 15633 1 1451 . 2 1 58 58 LYS CB C 13 32.253 0.1 . 1 . . . . 256 LYS CB . 15633 1 1452 . 2 1 58 58 LYS CD C 13 29.379 0.1 . 1 . . . . 256 LYS CD . 15633 1 1453 . 2 1 58 58 LYS CE C 13 42.515 0.1 . 1 . . . . 256 LYS CE . 15633 1 1454 . 2 1 58 58 LYS CG C 13 25.086 0.1 . 1 . . . . 256 LYS CG . 15633 1 1455 . 2 1 58 58 LYS N N 15 125.307 0.1 . 1 . . . . 256 LYS N . 15633 1 1456 . 2 1 59 59 TRP H H 1 7.884 0.020 . 1 . . . . 257 TRP H . 15633 1 1457 . 2 1 59 59 TRP HA H 1 4.637 0.002 . 1 . . . . 257 TRP HA . 15633 1 1458 . 2 1 59 59 TRP HB2 H 1 3.628 0.006 . 2 . . . . 257 TRP HB2 . 15633 1 1459 . 2 1 59 59 TRP HB3 H 1 3.298 0.001 . 2 . . . . 257 TRP HB3 . 15633 1 1460 . 2 1 59 59 TRP HD1 H 1 7.734 0.005 . 1 . . . . 257 TRP HD1 . 15633 1 1461 . 2 1 59 59 TRP HE3 H 1 7.381 0.005 . 1 . . . . 257 TRP HE3 . 15633 1 1462 . 2 1 59 59 TRP HH2 H 1 6.689 0.010 . 1 . . . . 257 TRP HH2 . 15633 1 1463 . 2 1 59 59 TRP HZ2 H 1 7.020 0.009 . 1 . . . . 257 TRP HZ2 . 15633 1 1464 . 2 1 59 59 TRP HZ3 H 1 6.629 0.004 . 1 . . . . 257 TRP HZ3 . 15633 1 1465 . 2 1 59 59 TRP C C 13 178.829 0.1 . 1 . . . . 257 TRP C . 15633 1 1466 . 2 1 59 59 TRP CA C 13 58.779 0.1 . 1 . . . . 257 TRP CA . 15633 1 1467 . 2 1 59 59 TRP CB C 13 27.854 0.1 . 1 . . . . 257 TRP CB . 15633 1 1468 . 2 1 59 59 TRP CD1 C 13 128.680 0.1 . 1 . . . . 257 TRP CD1 . 15633 1 1469 . 2 1 59 59 TRP CE3 C 13 121.176 0.1 . 1 . . . . 257 TRP CE3 . 15633 1 1470 . 2 1 59 59 TRP CH2 C 13 124.023 0.1 . 1 . . . . 257 TRP CH2 . 15633 1 1471 . 2 1 59 59 TRP CZ2 C 13 113.929 0.1 . 1 . . . . 257 TRP CZ2 . 15633 1 1472 . 2 1 59 59 TRP CZ3 C 13 121.176 0.1 . 1 . . . . 257 TRP CZ3 . 15633 1 1473 . 2 1 59 59 TRP N N 15 113.503 0.1 . 1 . . . . 257 TRP N . 15633 1 1474 . 2 1 60 60 ILE H H 1 6.449 0.003 . 1 . . . . 258 ILE H . 15633 1 1475 . 2 1 60 60 ILE HA H 1 3.284 0.006 . 1 . . . . 258 ILE HA . 15633 1 1476 . 2 1 60 60 ILE HB H 1 1.770 0.005 . 1 . . . . 258 ILE HB . 15633 1 1477 . 2 1 60 60 ILE HD11 H 1 0.091 0.007 . 1 . . . . 258 ILE QD1 . 15633 1 1478 . 2 1 60 60 ILE HD12 H 1 0.091 0.007 . 1 . . . . 258 ILE QD1 . 15633 1 1479 . 2 1 60 60 ILE HD13 H 1 0.091 0.007 . 1 . . . . 258 ILE QD1 . 15633 1 1480 . 2 1 60 60 ILE HG12 H 1 -0.417 0.004 . 2 . . . . 258 ILE HG12 . 15633 1 1481 . 2 1 60 60 ILE HG13 H 1 0.112 0.014 . 2 . . . . 258 ILE HG13 . 15633 1 1482 . 2 1 60 60 ILE HG21 H 1 0.521 0.008 . 1 . . . . 258 ILE QG2 . 15633 1 1483 . 2 1 60 60 ILE HG22 H 1 0.521 0.008 . 1 . . . . 258 ILE QG2 . 15633 1 1484 . 2 1 60 60 ILE HG23 H 1 0.521 0.008 . 1 . . . . 258 ILE QG2 . 15633 1 1485 . 2 1 60 60 ILE C C 13 177.687 0.1 . 1 . . . . 258 ILE C . 15633 1 1486 . 2 1 60 60 ILE CA C 13 64.177 0.1 . 1 . . . . 258 ILE CA . 15633 1 1487 . 2 1 60 60 ILE CB C 13 35.710 0.1 . 1 . . . . 258 ILE CB . 15633 1 1488 . 2 1 60 60 ILE CD1 C 13 13.090 0.1 . 1 . . . . 258 ILE CD1 . 15633 1 1489 . 2 1 60 60 ILE CG1 C 13 26.854 0.1 . 1 . . . . 258 ILE CG1 . 15633 1 1490 . 2 1 60 60 ILE CG2 C 13 17.131 0.1 . 1 . . . . 258 ILE CG2 . 15633 1 1491 . 2 1 60 60 ILE N N 15 124.379 0.1 . 1 . . . . 258 ILE N . 15633 1 1492 . 2 1 61 61 GLN H H 1 7.650 0.014 . 1 . . . . 259 GLN H . 15633 1 1493 . 2 1 61 61 GLN HA H 1 3.747 0.020 . 1 . . . . 259 GLN HA . 15633 1 1494 . 2 1 61 61 GLN HB2 H 1 2.251 0.020 . 2 . . . . 259 GLN HB2 . 15633 1 1495 . 2 1 61 61 GLN HB3 H 1 2.208 0.020 . 2 . . . . 259 GLN HB3 . 15633 1 1496 . 2 1 61 61 GLN HE21 H 1 7.984 0.003 . 2 . . . . 259 GLN HE21 . 15633 1 1497 . 2 1 61 61 GLN HE22 H 1 7.144 0.020 . 2 . . . . 259 GLN HE22 . 15633 1 1498 . 2 1 61 61 GLN HG2 H 1 2.393 0.020 . 2 . . . . 259 GLN HG2 . 15633 1 1499 . 2 1 61 61 GLN HG3 H 1 2.393 0.020 . 2 . . . . 259 GLN HG3 . 15633 1 1500 . 2 1 61 61 GLN C C 13 178.361 0.1 . 1 . . . . 259 GLN C . 15633 1 1501 . 2 1 61 61 GLN CA C 13 59.302 0.1 . 1 . . . . 259 GLN CA . 15633 1 1502 . 2 1 61 61 GLN CB C 13 28.357 0.1 . 1 . . . . 259 GLN CB . 15633 1 1503 . 2 1 61 61 GLN CG C 13 34.051 0.1 . 1 . . . . 259 GLN CG . 15633 1 1504 . 2 1 61 61 GLN N N 15 118.966 0.1 . 1 . . . . 259 GLN N . 15633 1 1505 . 2 1 61 61 GLN NE2 N 15 115.755 0.001 . 1 . . . . 259 GLN NE2 . 15633 1 1506 . 2 1 62 62 GLU H H 1 8.075 0.005 . 1 . . . . 260 GLU H . 15633 1 1507 . 2 1 62 62 GLU HA H 1 4.076 0.003 . 1 . . . . 260 GLU HA . 15633 1 1508 . 2 1 62 62 GLU HB2 H 1 2.250 0.012 . 2 . . . . 260 GLU HB2 . 15633 1 1509 . 2 1 62 62 GLU HB3 H 1 2.101 0.007 . 2 . . . . 260 GLU HB3 . 15633 1 1510 . 2 1 62 62 GLU HG2 H 1 2.546 0.003 . 2 . . . . 260 GLU HG2 . 15633 1 1511 . 2 1 62 62 GLU HG3 H 1 2.270 0.009 . 2 . . . . 260 GLU HG3 . 15633 1 1512 . 2 1 62 62 GLU C C 13 179.019 0.1 . 1 . . . . 260 GLU C . 15633 1 1513 . 2 1 62 62 GLU CA C 13 59.637 0.1 . 1 . . . . 260 GLU CA . 15633 1 1514 . 2 1 62 62 GLU CB C 13 30.368 0.1 . 1 . . . . 260 GLU CB . 15633 1 1515 . 2 1 62 62 GLU CG C 13 37.019 0.060 . 1 . . . . 260 GLU CG . 15633 1 1516 . 2 1 62 62 GLU N N 15 117.105 0.1 . 1 . . . . 260 GLU N . 15633 1 1517 . 2 1 63 63 TYR H H 1 7.922 0.008 . 1 . . . . 261 TYR H . 15633 1 1518 . 2 1 63 63 TYR HA H 1 4.237 0.020 . 1 . . . . 261 TYR HA . 15633 1 1519 . 2 1 63 63 TYR HB2 H 1 3.419 0.020 . 2 . . . . 261 TYR HB2 . 15633 1 1520 . 2 1 63 63 TYR HB3 H 1 3.309 0.003 . 2 . . . . 261 TYR HB3 . 15633 1 1521 . 2 1 63 63 TYR HD1 H 1 7.166 0.020 . 1 . . . . 261 TYR HD1 . 15633 1 1522 . 2 1 63 63 TYR HD2 H 1 7.166 0.020 . 1 . . . . 261 TYR HD2 . 15633 1 1523 . 2 1 63 63 TYR HE1 H 1 6.823 0.001 . 1 . . . . 261 TYR HE1 . 15633 1 1524 . 2 1 63 63 TYR HE2 H 1 6.823 0.001 . 1 . . . . 261 TYR HE2 . 15633 1 1525 . 2 1 63 63 TYR C C 13 178.551 0.1 . 1 . . . . 261 TYR C . 15633 1 1526 . 2 1 63 63 TYR CA C 13 61.206 0.1 . 1 . . . . 261 TYR CA . 15633 1 1527 . 2 1 63 63 TYR CB C 13 39.669 0.1 . 1 . . . . 261 TYR CB . 15633 1 1528 . 2 1 63 63 TYR CD1 C 13 133.083 0.1 . 1 . . . . 261 TYR CD1 . 15633 1 1529 . 2 1 63 63 TYR CE1 C 13 118.070 0.1 . 1 . . . . 261 TYR CE1 . 15633 1 1530 . 2 1 63 63 TYR N N 15 121.402 0.1 . 1 . . . . 261 TYR N . 15633 1 1531 . 2 1 64 64 LEU H H 1 8.231 0.016 . 1 . . . . 262 LEU H . 15633 1 1532 . 2 1 64 64 LEU HA H 1 3.967 0.020 . 1 . . . . 262 LEU HA . 15633 1 1533 . 2 1 64 64 LEU HB2 H 1 1.939 0.009 . 2 . . . . 262 LEU HB2 . 15633 1 1534 . 2 1 64 64 LEU HB3 H 1 1.214 0.004 . 2 . . . . 262 LEU HB3 . 15633 1 1535 . 2 1 64 64 LEU HD11 H 1 0.755 0.020 . 2 . . . . 262 LEU QD1 . 15633 1 1536 . 2 1 64 64 LEU HD12 H 1 0.755 0.020 . 2 . . . . 262 LEU QD1 . 15633 1 1537 . 2 1 64 64 LEU HD13 H 1 0.755 0.020 . 2 . . . . 262 LEU QD1 . 15633 1 1538 . 2 1 64 64 LEU HD21 H 1 0.696 0.020 . 2 . . . . 262 LEU QD2 . 15633 1 1539 . 2 1 64 64 LEU HD22 H 1 0.696 0.020 . 2 . . . . 262 LEU QD2 . 15633 1 1540 . 2 1 64 64 LEU HD23 H 1 0.696 0.020 . 2 . . . . 262 LEU QD2 . 15633 1 1541 . 2 1 64 64 LEU HG H 1 1.942 0.020 . 1 . . . . 262 LEU HG . 15633 1 1542 . 2 1 64 64 LEU C C 13 179.458 0.1 . 1 . . . . 262 LEU C . 15633 1 1543 . 2 1 64 64 LEU CA C 13 57.880 0.1 . 1 . . . . 262 LEU CA . 15633 1 1544 . 2 1 64 64 LEU CB C 13 42.434 0.1 . 1 . . . . 262 LEU CB . 15633 1 1545 . 2 1 64 64 LEU CD1 C 13 23.192 0.1 . 1 . . . . 262 LEU CD1 . 15633 1 1546 . 2 1 64 64 LEU CD2 C 13 26.727 0.1 . 1 . . . . 262 LEU CD2 . 15633 1 1547 . 2 1 64 64 LEU CG C 13 26.955 0.054 . 1 . . . . 262 LEU CG . 15633 1 1548 . 2 1 64 64 LEU N N 15 116.209 0.1 . 1 . . . . 262 LEU N . 15633 1 1549 . 2 1 65 65 GLU H H 1 8.467 0.020 . 1 . . . . 263 GLU H . 15633 1 1550 . 2 1 65 65 GLU HA H 1 3.827 0.003 . 1 . . . . 263 GLU HA . 15633 1 1551 . 2 1 65 65 GLU HB2 H 1 2.241 0.007 . 2 . . . . 263 GLU HB2 . 15633 1 1552 . 2 1 65 65 GLU HB3 H 1 2.075 0.020 . 2 . . . . 263 GLU HB3 . 15633 1 1553 . 2 1 65 65 GLU HG2 H 1 2.473 0.020 . 2 . . . . 263 GLU HG2 . 15633 1 1554 . 2 1 65 65 GLU HG3 H 1 2.254 0.008 . 2 . . . . 263 GLU HG3 . 15633 1 1555 . 2 1 65 65 GLU C C 13 179.166 0.1 . 1 . . . . 263 GLU C . 15633 1 1556 . 2 1 65 65 GLU CA C 13 60.265 0.1 . 1 . . . . 263 GLU CA . 15633 1 1557 . 2 1 65 65 GLU CB C 13 29.739 0.1 . 1 . . . . 263 GLU CB . 15633 1 1558 . 2 1 65 65 GLU CG C 13 37.207 0.1 . 1 . . . . 263 GLU CG . 15633 1 1559 . 2 1 65 65 GLU N N 15 118.559 0.1 . 1 . . . . 263 GLU N . 15633 1 1560 . 2 1 66 66 LYS H H 1 7.554 0.006 . 1 . . . . 264 LYS H . 15633 1 1561 . 2 1 66 66 LYS HA H 1 4.215 0.007 . 1 . . . . 264 LYS HA . 15633 1 1562 . 2 1 66 66 LYS HB2 H 1 1.968 0.004 . 2 . . . . 264 LYS HB2 . 15633 1 1563 . 2 1 66 66 LYS HB3 H 1 1.968 0.004 . 2 . . . . 264 LYS HB3 . 15633 1 1564 . 2 1 66 66 LYS HD2 H 1 1.686 0.003 . 2 . . . . 264 LYS HD2 . 15633 1 1565 . 2 1 66 66 LYS HD3 H 1 1.686 0.003 . 2 . . . . 264 LYS HD3 . 15633 1 1566 . 2 1 66 66 LYS HE2 H 1 2.994 0.002 . 2 . . . . 264 LYS HE2 . 15633 1 1567 . 2 1 66 66 LYS HE3 H 1 2.994 0.002 . 2 . . . . 264 LYS HE3 . 15633 1 1568 . 2 1 66 66 LYS HG2 H 1 1.610 0.003 . 2 . . . . 264 LYS HG2 . 15633 1 1569 . 2 1 66 66 LYS HG3 H 1 1.610 0.003 . 2 . . . . 264 LYS HG3 . 15633 1 1570 . 2 1 66 66 LYS C C 13 178.302 0.1 . 1 . . . . 264 LYS C . 15633 1 1571 . 2 1 66 66 LYS CA C 13 58.481 0.062 . 1 . . . . 264 LYS CA . 15633 1 1572 . 2 1 66 66 LYS CB C 13 32.505 0.1 . 1 . . . . 264 LYS CB . 15633 1 1573 . 2 1 66 66 LYS CD C 13 29.379 0.1 . 1 . . . . 264 LYS CD . 15633 1 1574 . 2 1 66 66 LYS CE C 13 42.579 0.108 . 1 . . . . 264 LYS CE . 15633 1 1575 . 2 1 66 66 LYS CG C 13 25.465 0.1 . 1 . . . . 264 LYS CG . 15633 1 1576 . 2 1 66 66 LYS N N 15 117.056 0.1 . 1 . . . . 264 LYS N . 15633 1 1577 . 2 1 67 67 CYS H H 1 7.925 0.009 . 1 . . . . 265 CYS H . 15633 1 1578 . 2 1 67 67 CYS HA H 1 4.529 0.006 . 1 . . . . 265 CYS HA . 15633 1 1579 . 2 1 67 67 CYS HB2 H 1 3.084 0.004 . 2 . . . . 265 CYS HB2 . 15633 1 1580 . 2 1 67 67 CYS HB3 H 1 3.015 0.010 . 2 . . . . 265 CYS HB3 . 15633 1 1581 . 2 1 67 67 CYS C C 13 174.775 0.1 . 1 . . . . 265 CYS C . 15633 1 1582 . 2 1 67 67 CYS CA C 13 56.102 0.1 . 1 . . . . 265 CYS CA . 15633 1 1583 . 2 1 67 67 CYS CB C 13 45.325 0.1 . 1 . . . . 265 CYS CB . 15633 1 1584 . 2 1 67 67 CYS N N 15 115.236 0.1 . 1 . . . . 265 CYS N . 15633 1 1585 . 2 1 68 68 LEU H H 1 7.541 0.020 . 1 . . . . 266 LEU H . 15633 1 1586 . 2 1 68 68 LEU HA H 1 4.520 0.020 . 1 . . . . 266 LEU HA . 15633 1 1587 . 2 1 68 68 LEU HB2 H 1 1.725 0.013 . 2 . . . . 266 LEU HB2 . 15633 1 1588 . 2 1 68 68 LEU HB3 H 1 1.584 0.020 . 2 . . . . 266 LEU HB3 . 15633 1 1589 . 2 1 68 68 LEU HD11 H 1 0.873 0.020 . 2 . . . . 266 LEU QD1 . 15633 1 1590 . 2 1 68 68 LEU HD12 H 1 0.873 0.020 . 2 . . . . 266 LEU QD1 . 15633 1 1591 . 2 1 68 68 LEU HD13 H 1 0.873 0.020 . 2 . . . . 266 LEU QD1 . 15633 1 1592 . 2 1 68 68 LEU HD21 H 1 0.868 0.003 . 2 . . . . 266 LEU QD2 . 15633 1 1593 . 2 1 68 68 LEU HD22 H 1 0.868 0.003 . 2 . . . . 266 LEU QD2 . 15633 1 1594 . 2 1 68 68 LEU HD23 H 1 0.868 0.003 . 2 . . . . 266 LEU QD2 . 15633 1 1595 . 2 1 68 68 LEU HG H 1 1.700 0.020 . 1 . . . . 266 LEU HG . 15633 1 1596 . 2 1 68 68 LEU C C 13 176.765 0.1 . 1 . . . . 266 LEU C . 15633 1 1597 . 2 1 68 68 LEU CA C 13 55.202 0.1 . 1 . . . . 266 LEU CA . 15633 1 1598 . 2 1 68 68 LEU CB C 13 43.314 0.1 . 1 . . . . 266 LEU CB . 15633 1 1599 . 2 1 68 68 LEU CD1 C 13 26.475 0.1 . 1 . . . . 266 LEU CD1 . 15633 1 1600 . 2 1 68 68 LEU CD2 C 13 23.823 0.1 . 1 . . . . 266 LEU CD2 . 15633 1 1601 . 2 1 68 68 LEU CG C 13 26.601 0.1 . 1 . . . . 266 LEU CG . 15633 1 1602 . 2 1 68 68 LEU N N 15 121.130 0.1 . 1 . . . . 266 LEU N . 15633 1 1603 . 2 1 69 69 ASN H H 1 8.306 0.005 . 1 . . . . 267 ASN H . 15633 1 1604 . 2 1 69 69 ASN HA H 1 4.639 0.020 . 1 . . . . 267 ASN HA . 15633 1 1605 . 2 1 69 69 ASN HB2 H 1 2.846 0.020 . 2 . . . . 267 ASN HB2 . 15633 1 1606 . 2 1 69 69 ASN HB3 H 1 2.604 0.020 . 2 . . . . 267 ASN HB3 . 15633 1 1607 . 2 1 69 69 ASN HD21 H 1 7.595 0.006 . 2 . . . . 267 ASN HD21 . 15633 1 1608 . 2 1 69 69 ASN HD22 H 1 6.857 0.003 . 2 . . . . 267 ASN HD22 . 15633 1 1609 . 2 1 69 69 ASN C C 13 174.189 0.1 . 1 . . . . 267 ASN C . 15633 1 1610 . 2 1 69 69 ASN CA C 13 53.654 0.1 . 1 . . . . 267 ASN CA . 15633 1 1611 . 2 1 69 69 ASN CB C 13 38.978 0.1 . 1 . . . . 267 ASN CB . 15633 1 1612 . 2 1 69 69 ASN N N 15 120.313 0.095 . 1 . . . . 267 ASN N . 15633 1 1613 . 2 1 69 69 ASN ND2 N 15 112.192 0.1 . 1 . . . . 267 ASN ND2 . 15633 1 1614 . 2 1 70 70 LYS H H 1 7.913 0.008 . 1 . . . . 268 LYS H . 15633 1 1615 . 2 1 70 70 LYS HA H 1 4.667 0.020 . 1 . . . . 268 LYS HA . 15633 1 1616 . 2 1 70 70 LYS HB2 H 1 1.830 0.020 . 2 . . . . 268 LYS HB2 . 15633 1 1617 . 2 1 70 70 LYS HD2 H 1 1.411 0.020 . 2 . . . . 268 LYS HD2 . 15633 1 1618 . 2 1 70 70 LYS HG2 H 1 1.713 0.020 . 2 . . . . 268 LYS HG2 . 15633 1 1619 . 2 1 70 70 LYS N N 15 127.077 0.1 . 1 . . . . 268 LYS N . 15633 1 stop_ save_