data_15635 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15635 _Entry.Title ; Structure of SDF1 in complex with the CXCR4 N-terminus containing a sulfotyrosine at postition 21 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-01-24 _Entry.Accession_date 2008-01-24 _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. . 15635 2 C. Veldkamp C. T. . 15635 3 F. Peterson F. C. . 15635 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' . 15635 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID chemokine . 15635 CXCL12 . 15635 CXCR4 . 15635 'locked dimer' . 15635 SDF1-alpha . 15635 'stromal cell derived factor-1' . 15635 sulfotyrosine . 15635 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15635 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 850 15635 '15N chemical shifts' 212 15635 '1H chemical shifts' 1416 15635 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 2008-01-24 original author . 15635 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15633 'SDF1 dimer' 15635 BMRB 15636 'CXCL12/SDF1-alpha, CXCR4' 15635 BMRB 15637 'CXCL12/SDF1-alpha, CXCR4 containing a sulfotyrosine' 15635 PDB 2K03 'BMRB Entry Tracking System' 15635 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15635 _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. . 15635 1 2 Christoph Seibert . . . 15635 1 3 Francis Peterson . C. . 15635 1 4 Noberto 'De la Cruz' . B. . 15635 1 5 John Haugner . C. III 15635 1 6 Harihar Basnet . . . 15635 1 7 Thomas Sakmar . P. . 15635 1 8 Brian Volkman . F. . 15635 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15635 _Assembly.ID 1 _Assembly.Name 'CXCL12/SDF1-alpha, CXCR4' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 . . . 15635 1 2 CXCR4_1 2 $CXCR4 B . yes native no no . . . 15635 1 3 CXCL12/SDF1-alpha_2 1 $CXCL12_SDF1-alpha C . yes native no no . . . 15635 1 4 CXCR4_2 2 $CXCR4 D . yes native no no . . . 15635 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 15635 1 2 disulphide 1 . 2 CXCR4_1 1 CYS 11 11 SG . 2 CXCR4_1 1 CYS 36 36 SG . CXCR4_1 11 cys SG . CXCR4_1 36 cys SG 15635 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 15635 1 4 disulphide 1 . 2 CXCR4_1 1 CYS 13 13 SG . 2 CXCR4_1 1 CYS 52 52 SG . CXCR4_1 13 cys SG . CXCR4_1 52 cys SG 15635 1 5 disulphide 1 . 1 CXCL12/SDF1-alpha_1 1 CYS 38 38 SG . 2 CXCR4_1 1 CYS 67 67 SG . CXCL12/SDF1-alpha_1 38 cys SG . CXCR4_1 67 cys SG 15635 1 6 disulphide 1 . 1 CXCL12/SDF1-alpha_1 1 CYS 67 67 SG . 2 CXCR4_1 1 CYS 38 38 SG . CXCL12/SDF1-alpha_1 67 cys SG . CXCR4_1 38 cys SG 15635 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CXCL12_SDF1-alpha _Entity.Sf_category entity _Entity.Sf_framecode CXCL12_SDF1-alpha _Entity.Entry_ID 15635 _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 'The GM didpeptide is a cleavage artifact and should be numbered as residues -1 and 0.' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment CXCL12 _Entity.Mutation L36C,A65C _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8188.810 _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 15633 . CXCL12/SDF1-alpha . . . . . 100.00 70 100.00 100.00 9.47e-43 . . . . 15635 1 2 no BMRB 15636 . CXCL12/SDF1-alpha . . . . . 100.00 70 100.00 100.00 9.47e-43 . . . . 15635 1 3 no BMRB 15637 . CXCL12/SDF1-alpha . . . . . 100.00 70 100.00 100.00 9.47e-43 . . . . 15635 1 4 no BMRB 16142 . CXCL12/SDF1-alpha . . . . . 100.00 70 97.14 97.14 5.42e-41 . . . . 15635 1 5 no BMRB 16143 . CXCL12/SDF1-alpha . . . . . 100.00 70 97.14 97.14 5.42e-41 . . . . 15635 1 6 no PDB 1QG7 . "Stroma Cell-derived Factor-1alpha (sdf-1alpha)" . . . . . 95.71 67 97.01 97.01 2.47e-38 . . . . 15635 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 . . . . 15635 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 . . . . 15635 1 9 no PDB 2K01 . "Structure Of A Locked Sdf1 Dimer" . . . . . 100.00 70 100.00 100.00 9.47e-43 . . . . 15635 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 . . . . 15635 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 . . . . 15635 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 . . . . 15635 1 13 no PDB 2KEC . "Structure Of Sdf-1CXCL12" . . . . . 100.00 70 97.14 97.14 5.42e-41 . . . . 15635 1 14 no PDB 2KED . "Structure Of Sdf-1CXCL12" . . . . . 100.00 70 97.14 97.14 5.42e-41 . . . . 15635 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 . . . . 15635 1 16 no PDB 3HP3 . "Crystal Structure Of Cxcl12" . . . . . 97.14 68 97.06 97.06 3.21e-39 . . . . 15635 1 17 no PDB 4UAI . "Crystal Structure Of Cxcl12 In Complex With Inhibitor" . . . . . 97.14 68 97.06 97.06 6.79e-39 . . . . 15635 1 18 no DBJ BAA28601 . "stromal cell-derived factor-1 a [Felis catus]" . . . . . 97.14 89 97.06 97.06 1.68e-39 . . . . 15635 1 19 no DBJ BAA28602 . "stromal cell-derived factor-1 b [Felis catus]" . . . . . 97.14 93 97.06 97.06 1.63e-39 . . . . 15635 1 20 no DBJ BAF85317 . "unnamed protein product [Homo sapiens]" . . . . . 97.14 89 97.06 97.06 2.27e-39 . . . . 15635 1 21 no DBJ BAG11056 . "stromal cell-derived factor 1 precursor [synthetic construct]" . . . . . 97.14 137 97.06 97.06 2.25e-39 . . . . 15635 1 22 no DBJ BAG34757 . "unnamed protein product [Homo sapiens]" . . . . . 97.14 93 97.06 97.06 2.05e-39 . . . . 15635 1 23 no EMBL CAG29279 . "CXCL12 [Homo sapiens]" . . . . . 97.14 89 97.06 97.06 2.27e-39 . . . . 15635 1 24 no GB AAA97434 . "cytokine SDF-1-beta [Homo sapiens]" . . . . . 97.14 93 97.06 97.06 2.05e-39 . . . . 15635 1 25 no GB AAB39332 . "pre-B cell stimulating factor homologue [Homo sapiens]" . . . . . 97.14 93 97.06 97.06 2.05e-39 . . . . 15635 1 26 no GB AAB39333 . "pre-B cell stimulating factor homologue [Homo sapiens]" . . . . . 97.14 89 97.06 97.06 2.27e-39 . . . . 15635 1 27 no GB AAB40516 . "intercrine-alpha [Homo sapiens]" . . . . . 97.14 89 97.06 97.06 2.27e-39 . . . . 15635 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 . . . . 15635 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 . . . . 15635 1 30 no REF NP_001009847 . "stromal cell-derived factor 1 precursor [Felis catus]" . . . . . 97.14 93 97.06 97.06 1.63e-39 . . . . 15635 1 31 no REF NP_001028106 . "stromal cell-derived factor 1 precursor [Macaca mulatta]" . . . . . 97.14 89 97.06 97.06 2.04e-39 . . . . 15635 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 . . . . 15635 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 . . . . 15635 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 . . . . 15635 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 . . . . 15635 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 . GLY . 15635 1 2 . MET . 15635 1 3 . LYS . 15635 1 4 . PRO . 15635 1 5 . VAL . 15635 1 6 . SER . 15635 1 7 . LEU . 15635 1 8 . SER . 15635 1 9 . TYR . 15635 1 10 . ARG . 15635 1 11 . CYS . 15635 1 12 . PRO . 15635 1 13 . CYS . 15635 1 14 . ARG . 15635 1 15 . PHE . 15635 1 16 . PHE . 15635 1 17 . GLU . 15635 1 18 . SER . 15635 1 19 . HIS . 15635 1 20 . VAL . 15635 1 21 . ALA . 15635 1 22 . ARG . 15635 1 23 . ALA . 15635 1 24 . ASN . 15635 1 25 . VAL . 15635 1 26 . LYS . 15635 1 27 . HIS . 15635 1 28 . LEU . 15635 1 29 . LYS . 15635 1 30 . ILE . 15635 1 31 . LEU . 15635 1 32 . ASN . 15635 1 33 . THR . 15635 1 34 . PRO . 15635 1 35 . ASN . 15635 1 36 . CYS . 15635 1 37 . ALA . 15635 1 38 . CYS . 15635 1 39 . GLN . 15635 1 40 . ILE . 15635 1 41 . VAL . 15635 1 42 . ALA . 15635 1 43 . ARG . 15635 1 44 . LEU . 15635 1 45 . LYS . 15635 1 46 . ASN . 15635 1 47 . ASN . 15635 1 48 . ASN . 15635 1 49 . ARG . 15635 1 50 . GLN . 15635 1 51 . VAL . 15635 1 52 . CYS . 15635 1 53 . ILE . 15635 1 54 . ASP . 15635 1 55 . PRO . 15635 1 56 . LYS . 15635 1 57 . LEU . 15635 1 58 . LYS . 15635 1 59 . TRP . 15635 1 60 . ILE . 15635 1 61 . GLN . 15635 1 62 . GLU . 15635 1 63 . TYR . 15635 1 64 . LEU . 15635 1 65 . GLU . 15635 1 66 . LYS . 15635 1 67 . CYS . 15635 1 68 . LEU . 15635 1 69 . ASN . 15635 1 70 . LYS . 15635 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 15635 1 . MET 2 2 15635 1 . LYS 3 3 15635 1 . PRO 4 4 15635 1 . VAL 5 5 15635 1 . SER 6 6 15635 1 . LEU 7 7 15635 1 . SER 8 8 15635 1 . TYR 9 9 15635 1 . ARG 10 10 15635 1 . CYS 11 11 15635 1 . PRO 12 12 15635 1 . CYS 13 13 15635 1 . ARG 14 14 15635 1 . PHE 15 15 15635 1 . PHE 16 16 15635 1 . GLU 17 17 15635 1 . SER 18 18 15635 1 . HIS 19 19 15635 1 . VAL 20 20 15635 1 . ALA 21 21 15635 1 . ARG 22 22 15635 1 . ALA 23 23 15635 1 . ASN 24 24 15635 1 . VAL 25 25 15635 1 . LYS 26 26 15635 1 . HIS 27 27 15635 1 . LEU 28 28 15635 1 . LYS 29 29 15635 1 . ILE 30 30 15635 1 . LEU 31 31 15635 1 . ASN 32 32 15635 1 . THR 33 33 15635 1 . PRO 34 34 15635 1 . ASN 35 35 15635 1 . CYS 36 36 15635 1 . ALA 37 37 15635 1 . CYS 38 38 15635 1 . GLN 39 39 15635 1 . ILE 40 40 15635 1 . VAL 41 41 15635 1 . ALA 42 42 15635 1 . ARG 43 43 15635 1 . LEU 44 44 15635 1 . LYS 45 45 15635 1 . ASN 46 46 15635 1 . ASN 47 47 15635 1 . ASN 48 48 15635 1 . ARG 49 49 15635 1 . GLN 50 50 15635 1 . VAL 51 51 15635 1 . CYS 52 52 15635 1 . ILE 53 53 15635 1 . ASP 54 54 15635 1 . PRO 55 55 15635 1 . LYS 56 56 15635 1 . LEU 57 57 15635 1 . LYS 58 58 15635 1 . TRP 59 59 15635 1 . ILE 60 60 15635 1 . GLN 61 61 15635 1 . GLU 62 62 15635 1 . TYR 63 63 15635 1 . LEU 64 64 15635 1 . GLU 65 65 15635 1 . LYS 66 66 15635 1 . CYS 67 67 15635 1 . LEU 68 68 15635 1 . ASN 69 69 15635 1 . LYS 70 70 15635 1 stop_ save_ save_CXCR4 _Entity.Sf_category entity _Entity.Sf_framecode CXCR4 _Entity.Entry_ID 15635 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CXCR4 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B,D _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSMEGISIYTSDNYTEEMGS GDXDSMKEPAFREENANFNK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The GS didpeptide is a cleavage artifact and should be numbered as residues -1 and 0.' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 40 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'CXCR4 N-terminus (Residues 1-38)' _Entity.Mutation C28A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4518.798 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 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 15636 . CXCR4 . . . . . 100.00 40 97.50 97.50 5.24e-18 . . . . 15635 2 2 no PDB 2K03 . "Structure Of Sdf1 In Complex With The Cxcr4 N-Terminus Containing A Sulfotyrosine At Postition 21" . . . . . 100.00 40 100.00 100.00 4.36e-18 . . . . 15635 2 3 no PDB 2K04 . "Structure Of Sdf1 In Complex With The Cxcr4 N-Terminus Containing No Sulfotyrosines" . . . . . 100.00 40 97.50 97.50 5.24e-18 . . . . 15635 2 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 . GLY . 15635 2 2 . SER . 15635 2 3 . MET . 15635 2 4 . GLU . 15635 2 5 . GLY . 15635 2 6 . ILE . 15635 2 7 . SER . 15635 2 8 . ILE . 15635 2 9 . TYR . 15635 2 10 . THR . 15635 2 11 . SER . 15635 2 12 . ASP . 15635 2 13 . ASN . 15635 2 14 . TYR . 15635 2 15 . THR . 15635 2 16 . GLU . 15635 2 17 . GLU . 15635 2 18 . MET . 15635 2 19 . GLY . 15635 2 20 . SER . 15635 2 21 . GLY . 15635 2 22 . ASP . 15635 2 23 . TYS . 15635 2 24 . ASP . 15635 2 25 . SER . 15635 2 26 . MET . 15635 2 27 . LYS . 15635 2 28 . GLU . 15635 2 29 . PRO . 15635 2 30 . ALA . 15635 2 31 . PHE . 15635 2 32 . ARG . 15635 2 33 . GLU . 15635 2 34 . GLU . 15635 2 35 . ASN . 15635 2 36 . ALA . 15635 2 37 . ASN . 15635 2 38 . PHE . 15635 2 39 . ASN . 15635 2 40 . LYS . 15635 2 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 15635 2 . SER 2 2 15635 2 . MET 3 3 15635 2 . GLU 4 4 15635 2 . GLY 5 5 15635 2 . ILE 6 6 15635 2 . SER 7 7 15635 2 . ILE 8 8 15635 2 . TYR 9 9 15635 2 . THR 10 10 15635 2 . SER 11 11 15635 2 . ASP 12 12 15635 2 . ASN 13 13 15635 2 . TYR 14 14 15635 2 . THR 15 15 15635 2 . GLU 16 16 15635 2 . GLU 17 17 15635 2 . MET 18 18 15635 2 . GLY 19 19 15635 2 . SER 20 20 15635 2 . GLY 21 21 15635 2 . ASP 22 22 15635 2 . TYS 23 23 15635 2 . ASP 24 24 15635 2 . SER 25 25 15635 2 . MET 26 26 15635 2 . LYS 27 27 15635 2 . GLU 28 28 15635 2 . PRO 29 29 15635 2 . ALA 30 30 15635 2 . PHE 31 31 15635 2 . ARG 32 32 15635 2 . GLU 33 33 15635 2 . GLU 34 34 15635 2 . ASN 35 35 15635 2 . ALA 36 36 15635 2 . ASN 37 37 15635 2 . PHE 38 38 15635 2 . ASN 39 39 15635 2 . LYS 40 40 15635 2 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 15635 _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' Human . . Eukaryota Metazoa Homo Sapiens . . . . . . . . . . . . . . . . CXCL12 . . . . 15635 1 2 2 $CXCR4 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo Sapiens . . . . . . . . . . . . . . . . CXCR4(1-38) . . . . 15635 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 15635 _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 SD13009[pREP4] . . . . . . . . . . . . . . . pQE30-6HT . . . . . . 15635 1 2 2 $CXCR4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli SD13009[pREP4] . . . . . . . . . . . . . . . pQE30-GB1 . . . . . . 15635 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_TYS _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_TYS _Chem_comp.Entry_ID 15635 _Chem_comp.ID TYS _Chem_comp.Provenance . _Chem_comp.Name 'SULFONATED TYROSINE' _Chem_comp.Type 'L-peptide linking' _Chem_comp.BMRB_code . _Chem_comp.PDB_code TYS _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C9 H11 N O6 S' _Chem_comp.Formula_weight 261.252 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 21 03:12:49 2007 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1cc(ccc1CC(C(=O)O)N)OS(=O)(=O)O SMILES OpenEye/OEToolkits 1.4.2 15635 TYS c1cc(ccc1C[C@@H](C(=O)O)N)OS(=O)(=O)O SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15635 TYS InChI=1/C9H11NO6S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/t8-/m0/s1 INCHI InChi 1 15635 TYS NC(Cc1ccc(OS(O)(=O)=O)cc1)C(O)=O SMILES_CANONICAL CACTVS 2.87 15635 TYS N[C@@H](Cc1ccc(OS(O)(=O)=O)cc1)C(O)=O SMILES CACTVS 2.87 15635 TYS stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-amino-3-(4-sulfooxyphenyl)propanoic acid' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15635 TYS stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C . C . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15635 TYS CA . CA . . C . S . 0 . . . . no no . . . . . . . . . . . . . . . 15635 TYS CB . CB . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15635 TYS CD1 . CD1 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15635 TYS CD2 . CD2 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15635 TYS CE1 . CE1 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15635 TYS CE2 . CE2 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15635 TYS CG . CG . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15635 TYS CZ . CZ . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15635 TYS HA . HA . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15635 TYS HB1 . HB1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15635 TYS HB2 . HB2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15635 TYS HD1 . HD1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15635 TYS HD2 . HD2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15635 TYS HE1 . HE1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15635 TYS HE2 . HE2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15635 TYS HN1 . HN1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15635 TYS HN2 . HN2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15635 TYS HO3 . HO3 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15635 TYS HXT . HXT . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15635 TYS N . N . . N . N . 0 . . . . no no . . . . . . . . . . . . . . . 15635 TYS O . O . . O . N . 0 . . . . no yes . . . . . . . . . . . . . . . 15635 TYS O1 . O1 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15635 TYS O2 . O2 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15635 TYS O3 . O3 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15635 TYS OH . OH . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15635 TYS OXT . OXT . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15635 TYS S . S . . S . N . 0 . . . . no no . . . . . . . . . . . . . . . 15635 TYS stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA . . . . 15635 TYS 2 . SING N HN1 . . . . 15635 TYS 3 . SING N HN2 . . . . 15635 TYS 4 . SING CA CB . . . . 15635 TYS 5 . SING CA C . . . . 15635 TYS 6 . SING CA HA . . . . 15635 TYS 7 . SING CB CG . . . . 15635 TYS 8 . SING CB HB1 . . . . 15635 TYS 9 . SING CB HB2 . . . . 15635 TYS 10 . DOUB CG CD1 . . . . 15635 TYS 11 . SING CG CD2 . . . . 15635 TYS 12 . SING CD1 CE1 . . . . 15635 TYS 13 . SING CD1 HD1 . . . . 15635 TYS 14 . DOUB CD2 CE2 . . . . 15635 TYS 15 . SING CD2 HD2 . . . . 15635 TYS 16 . DOUB CE1 CZ . . . . 15635 TYS 17 . SING CE1 HE1 . . . . 15635 TYS 18 . SING CE2 CZ . . . . 15635 TYS 19 . SING CE2 HE2 . . . . 15635 TYS 20 . SING CZ OH . . . . 15635 TYS 21 . SING OH S . . . . 15635 TYS 22 . DOUB S O1 . . . . 15635 TYS 23 . DOUB S O2 . . . . 15635 TYS 24 . SING S O3 . . . . 15635 TYS 25 . SING O3 HO3 . . . . 15635 TYS 26 . DOUB C O . . . . 15635 TYS 27 . SING C OXT . . . . 15635 TYS 28 . SING OXT HXT . . . . 15635 TYS stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15635 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.338 mM CXCL12 U-15N/13C (dimer concentration), 0.970 mM unlabled CXCR4, 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 . . . . 0.338 . . mM . . . . 15635 1 2 CXCR4 'natural abundance' 1 $assembly . . . . 0.970 . . mM . . . . 15635 1 3 MES(d13) . . . . . . . 25 . . mM . . . . 15635 1 4 H2O . . . . . . . 90 . . % . . . . 15635 1 5 D2O . . . . . . . 10 . . % . . . . 15635 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15635 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.07 mM CXCR4 U-15N/13C, 0.670 mM CXCL12 unlabeled (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 CXCR4 '[U-100% 13C; U-100% 15N]' 1 $assembly . . . . 1.07 . . mM . . . . 15635 2 2 CXCL12/SDF1-alpha 'natural abundance' 1 $assembly . . . . 0.67 . . mM . . . . 15635 2 3 MES(d13) . . . . . . . 25 . . mM . . . . 15635 2 4 H2O . . . . . . . 90 . . % . . . . 15635 2 5 D2O . . . . . . . 10 . . % . . . . 15635 2 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 15635 _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 15635 1 pH 6.8 . pH 15635 1 pressure 1 . atm 15635 1 temperature 308 . K 15635 1 stop_ save_ ############################ # Computer software used # ############################ save_Xplor-NIH _Software.Sf_category software _Software.Sf_framecode Xplor-NIH _Software.Entry_ID 15635 _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. . . 15635 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15635 1 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 15635 _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 . . 15635 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15635 2 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 15635 _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.' . . 15635 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15635 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15635 _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.' . . 15635 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15635 4 stop_ save_ save_SPSCAN _Software.Sf_category software _Software.Sf_framecode SPSCAN _Software.Entry_ID 15635 _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' . . 15635 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15635 5 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 15635 _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' . . 15635 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15635 6 stop_ save_ save_Cyana _Software.Sf_category software _Software.Sf_framecode Cyana _Software.Entry_ID 15635 _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.' . . 15635 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structural calculation' 15635 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 15635 _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 15635 _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 . . . 15635 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 15635 _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 . . . . . . . . . . . . . . . . 15635 1 2 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15635 1 3 '3D_13C-separated_NOESY (AROMATIC)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15635 1 4 3D_13C-F1-filtered_13C-F3-separateded_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15635 1 5 3D_15N-separated_NOESY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15635 1 6 3D_13C-separated_NOESY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15635 1 7 '3D_13C-separated_NOESY (AROMATIC)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15635 1 8 3D_13C-F1-filtered_13C-F3-separateded_NOESY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15635 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 15635 _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 . . . . . . . . . 15635 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15635 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15635 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 15635 _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 . . . 15635 1 2 3D_13C-separated_NOESY . . . 15635 1 3 '3D_13C-separated_NOESY (AROMATIC)' . . . 15635 1 4 3D_13C-F1-filtered_13C-F3-separateded_NOESY . . . 15635 1 5 3D_15N-separated_NOESY . . . 15635 1 6 3D_13C-separated_NOESY . . . 15635 1 7 '3D_13C-separated_NOESY (AROMATIC)' . . . 15635 1 8 3D_13C-F1-filtered_13C-F3-separateded_NOESY . . . 15635 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 8.402 0.020 . 1 . . . . 1 LYS H . 15635 1 2 . 1 1 3 3 LYS N N 15 124.577 0.1 . 1 . . . . 1 LYS N . 15635 1 3 . 1 1 4 4 PRO HA H 1 4.509 0.020 . 1 . . . . 2 PRO HA . 15635 1 4 . 1 1 4 4 PRO HB2 H 1 2.309 0.020 . 2 . . . . 2 PRO HB2 . 15635 1 5 . 1 1 4 4 PRO HB3 H 1 1.936 0.020 . 2 . . . . 2 PRO HB3 . 15635 1 6 . 1 1 4 4 PRO HD2 H 1 3.885 0.020 . 2 . . . . 2 PRO HD2 . 15635 1 7 . 1 1 4 4 PRO HD3 H 1 3.678 0.020 . 2 . . . . 2 PRO HD3 . 15635 1 8 . 1 1 4 4 PRO HG2 H 1 2.054 0.020 . 2 . . . . 2 PRO HG2 . 15635 1 9 . 1 1 4 4 PRO HG3 H 1 2.054 0.020 . 2 . . . . 2 PRO HG3 . 15635 1 10 . 1 1 4 4 PRO C C 13 177.132 0.1 . 1 . . . . 2 PRO C . 15635 1 11 . 1 1 4 4 PRO CA C 13 63.529 0.1 . 1 . . . . 2 PRO CA . 15635 1 12 . 1 1 4 4 PRO CB C 13 32.476 0.1 . 1 . . . . 2 PRO CB . 15635 1 13 . 1 1 4 4 PRO CD C 13 51.064 0.1 . 1 . . . . 2 PRO CD . 15635 1 14 . 1 1 4 4 PRO CG C 13 27.775 0.1 . 1 . . . . 2 PRO CG . 15635 1 15 . 1 1 5 5 VAL H H 1 8.201 0.020 . 1 . . . . 3 VAL H . 15635 1 16 . 1 1 5 5 VAL HA H 1 4.152 0.020 . 1 . . . . 3 VAL HA . 15635 1 17 . 1 1 5 5 VAL HB H 1 2.108 0.020 . 1 . . . . 3 VAL HB . 15635 1 18 . 1 1 5 5 VAL HG11 H 1 0.988 0.020 . 2 . . . . 3 VAL QG1 . 15635 1 19 . 1 1 5 5 VAL HG12 H 1 0.988 0.020 . 2 . . . . 3 VAL QG1 . 15635 1 20 . 1 1 5 5 VAL HG13 H 1 0.988 0.020 . 2 . . . . 3 VAL QG1 . 15635 1 21 . 1 1 5 5 VAL HG21 H 1 0.988 0.020 . 2 . . . . 3 VAL QG2 . 15635 1 22 . 1 1 5 5 VAL HG22 H 1 0.988 0.020 . 2 . . . . 3 VAL QG2 . 15635 1 23 . 1 1 5 5 VAL HG23 H 1 0.988 0.020 . 2 . . . . 3 VAL QG2 . 15635 1 24 . 1 1 5 5 VAL C C 13 176.423 0.1 . 1 . . . . 3 VAL C . 15635 1 25 . 1 1 5 5 VAL CA C 13 62.873 0.1 . 1 . . . . 3 VAL CA . 15635 1 26 . 1 1 5 5 VAL CB C 13 33.455 0.1 . 1 . . . . 3 VAL CB . 15635 1 27 . 1 1 5 5 VAL CG1 C 13 21.324 0.1 . 1 . . . . 3 VAL CG1 . 15635 1 28 . 1 1 5 5 VAL N N 15 120.488 0.1 . 1 . . . . 3 VAL N . 15635 1 29 . 1 1 6 6 SER H H 1 8.276 0.020 . 1 . . . . 4 SER H . 15635 1 30 . 1 1 6 6 SER HA H 1 4.494 0.020 . 1 . . . . 4 SER HA . 15635 1 31 . 1 1 6 6 SER HB2 H 1 3.874 0.020 . 2 . . . . 4 SER HB2 . 15635 1 32 . 1 1 6 6 SER HB3 H 1 3.874 0.020 . 2 . . . . 4 SER HB3 . 15635 1 33 . 1 1 6 6 SER C C 13 174.687 0.1 . 1 . . . . 4 SER C . 15635 1 34 . 1 1 6 6 SER CA C 13 58.375 0.1 . 1 . . . . 4 SER CA . 15635 1 35 . 1 1 6 6 SER CB C 13 64.295 0.1 . 1 . . . . 4 SER CB . 15635 1 36 . 1 1 6 6 SER N N 15 119.000 0.1 . 1 . . . . 4 SER N . 15635 1 37 . 1 1 7 7 LEU H H 1 8.238 0.020 . 1 . . . . 5 LEU H . 15635 1 38 . 1 1 7 7 LEU HA H 1 4.406 0.020 . 1 . . . . 5 LEU HA . 15635 1 39 . 1 1 7 7 LEU HB2 H 1 1.605 0.020 . 2 . . . . 5 LEU HB2 . 15635 1 40 . 1 1 7 7 LEU HB3 H 1 1.605 0.020 . 2 . . . . 5 LEU HB3 . 15635 1 41 . 1 1 7 7 LEU HD11 H 1 0.943 0.020 . 2 . . . . 5 LEU QD1 . 15635 1 42 . 1 1 7 7 LEU HD12 H 1 0.943 0.020 . 2 . . . . 5 LEU QD1 . 15635 1 43 . 1 1 7 7 LEU HD13 H 1 0.943 0.020 . 2 . . . . 5 LEU QD1 . 15635 1 44 . 1 1 7 7 LEU C C 13 177.406 0.1 . 1 . . . . 5 LEU C . 15635 1 45 . 1 1 7 7 LEU CA C 13 55.766 0.1 . 1 . . . . 5 LEU CA . 15635 1 46 . 1 1 7 7 LEU CB C 13 43.132 0.1 . 1 . . . . 5 LEU CB . 15635 1 47 . 1 1 7 7 LEU CD1 C 13 25.588 0.1 . 1 . . . . 5 LEU CD1 . 15635 1 48 . 1 1 7 7 LEU N N 15 124.704 0.1 . 1 . . . . 5 LEU N . 15635 1 49 . 1 1 8 8 SER H H 1 8.148 0.020 . 1 . . . . 6 SER H . 15635 1 50 . 1 1 8 8 SER HA H 1 4.438 0.020 . 1 . . . . 6 SER HA . 15635 1 51 . 1 1 8 8 SER HB2 H 1 3.829 0.020 . 2 . . . . 6 SER HB2 . 15635 1 52 . 1 1 8 8 SER HB3 H 1 3.829 0.020 . 2 . . . . 6 SER HB3 . 15635 1 53 . 1 1 8 8 SER C C 13 174.321 0.1 . 1 . . . . 6 SER C . 15635 1 54 . 1 1 8 8 SER CA C 13 58.718 0.1 . 1 . . . . 6 SER CA . 15635 1 55 . 1 1 8 8 SER CB C 13 64.295 0.1 . 1 . . . . 6 SER CB . 15635 1 56 . 1 1 8 8 SER N N 15 115.960 0.1 . 1 . . . . 6 SER N . 15635 1 57 . 1 1 9 9 TYR H H 1 7.954 0.020 . 1 . . . . 7 TYR H . 15635 1 58 . 1 1 9 9 TYR HA H 1 4.585 0.020 . 1 . . . . 7 TYR HA . 15635 1 59 . 1 1 9 9 TYR HB2 H 1 3.085 0.020 . 2 . . . . 7 TYR HB2 . 15635 1 60 . 1 1 9 9 TYR HB3 H 1 2.963 0.020 . 2 . . . . 7 TYR HB3 . 15635 1 61 . 1 1 9 9 TYR HD1 H 1 7.112 0.006 . 1 . . . . 7 TYR HD1 . 15635 1 62 . 1 1 9 9 TYR HD2 H 1 7.112 0.006 . 1 . . . . 7 TYR HD2 . 15635 1 63 . 1 1 9 9 TYR HE1 H 1 6.841 0.020 . 1 . . . . 7 TYR HE1 . 15635 1 64 . 1 1 9 9 TYR HE2 H 1 6.841 0.020 . 1 . . . . 7 TYR HE2 . 15635 1 65 . 1 1 9 9 TYR C C 13 175.532 0.1 . 1 . . . . 7 TYR C . 15635 1 66 . 1 1 9 9 TYR CA C 13 58.335 0.1 . 1 . . . . 7 TYR CA . 15635 1 67 . 1 1 9 9 TYR CB C 13 39.474 0.1 . 1 . . . . 7 TYR CB . 15635 1 68 . 1 1 9 9 TYR CD1 C 13 133.600 0.1 . 1 . . . . 7 TYR CD1 . 15635 1 69 . 1 1 9 9 TYR CE1 C 13 118.588 0.1 . 1 . . . . 7 TYR CE1 . 15635 1 70 . 1 1 9 9 TYR N N 15 121.884 0.1 . 1 . . . . 7 TYR N . 15635 1 71 . 1 1 10 10 ARG H H 1 8.117 0.020 . 1 . . . . 8 ARG H . 15635 1 72 . 1 1 10 10 ARG HA H 1 4.349 0.001 . 1 . . . . 8 ARG HA . 15635 1 73 . 1 1 10 10 ARG HB2 H 1 1.837 0.020 . 2 . . . . 8 ARG HB2 . 15635 1 74 . 1 1 10 10 ARG HB3 H 1 1.737 0.002 . 2 . . . . 8 ARG HB3 . 15635 1 75 . 1 1 10 10 ARG HD2 H 1 3.182 0.020 . 2 . . . . 8 ARG HD2 . 15635 1 76 . 1 1 10 10 ARG HD3 H 1 3.182 0.020 . 2 . . . . 8 ARG HD3 . 15635 1 77 . 1 1 10 10 ARG HG2 H 1 1.557 0.005 . 2 . . . . 8 ARG HG2 . 15635 1 78 . 1 1 10 10 ARG HG3 H 1 1.557 0.005 . 2 . . . . 8 ARG HG3 . 15635 1 79 . 1 1 10 10 ARG C C 13 175.898 0.1 . 1 . . . . 8 ARG C . 15635 1 80 . 1 1 10 10 ARG CA C 13 56.048 0.1 . 1 . . . . 8 ARG CA . 15635 1 81 . 1 1 10 10 ARG CB C 13 31.492 0.1 . 1 . . . . 8 ARG CB . 15635 1 82 . 1 1 10 10 ARG CD C 13 43.957 0.1 . 1 . . . . 8 ARG CD . 15635 1 83 . 1 1 10 10 ARG CG C 13 27.307 0.1 . 1 . . . . 8 ARG CG . 15635 1 84 . 1 1 10 10 ARG N N 15 121.977 0.1 . 1 . . . . 8 ARG N . 15635 1 85 . 1 1 11 11 CYS H H 1 8.127 0.020 . 1 . . . . 9 CYS H . 15635 1 86 . 1 1 11 11 CYS HA H 1 4.984 0.020 . 1 . . . . 9 CYS HA . 15635 1 87 . 1 1 11 11 CYS HB2 H 1 3.164 0.020 . 2 . . . . 9 CYS HB2 . 15635 1 88 . 1 1 11 11 CYS HB3 H 1 2.737 0.020 . 2 . . . . 9 CYS HB3 . 15635 1 89 . 1 1 11 11 CYS C C 13 177.771 0.1 . 1 . . . . 9 CYS C . 15635 1 90 . 1 1 11 11 CYS CA C 13 53.192 0.1 . 1 . . . . 9 CYS CA . 15635 1 91 . 1 1 11 11 CYS CB C 13 40.897 0.1 . 1 . . . . 9 CYS CB . 15635 1 92 . 1 1 11 11 CYS N N 15 121.209 0.1 . 1 . . . . 9 CYS N . 15635 1 93 . 1 1 12 12 PRO HA H 1 4.321 0.020 . 1 . . . . 10 PRO HA . 15635 1 94 . 1 1 12 12 PRO HB2 H 1 2.318 0.020 . 2 . . . . 10 PRO HB2 . 15635 1 95 . 1 1 12 12 PRO HB3 H 1 1.883 0.020 . 2 . . . . 10 PRO HB3 . 15635 1 96 . 1 1 12 12 PRO HD2 H 1 3.871 0.020 . 2 . . . . 10 PRO HD2 . 15635 1 97 . 1 1 12 12 PRO HD3 H 1 3.871 0.020 . 2 . . . . 10 PRO HD3 . 15635 1 98 . 1 1 12 12 PRO HG2 H 1 2.036 0.020 . 2 . . . . 10 PRO HG2 . 15635 1 99 . 1 1 12 12 PRO HG3 H 1 2.036 0.020 . 2 . . . . 10 PRO HG3 . 15635 1 100 . 1 1 12 12 PRO CA C 13 65.478 0.1 . 1 . . . . 10 PRO CA . 15635 1 101 . 1 1 12 12 PRO CB C 13 32.904 0.1 . 1 . . . . 10 PRO CB . 15635 1 102 . 1 1 12 12 PRO CD C 13 51.251 0.1 . 1 . . . . 10 PRO CD . 15635 1 103 . 1 1 12 12 PRO CG C 13 27.900 0.1 . 1 . . . . 10 PRO CG . 15635 1 104 . 1 1 13 13 CYS H H 1 8.633 0.001 . 1 . . . . 11 CYS H . 15635 1 105 . 1 1 13 13 CYS C C 13 174.618 0.1 . 1 . . . . 11 CYS C . 15635 1 106 . 1 1 13 13 CYS N N 15 114.595 0.1 . 1 . . . . 11 CYS N . 15635 1 107 . 1 1 14 14 ARG H H 1 8.236 0.020 . 1 . . . . 12 ARG H . 15635 1 108 . 1 1 14 14 ARG HA H 1 4.067 0.020 . 1 . . . . 12 ARG HA . 15635 1 109 . 1 1 14 14 ARG HB2 H 1 1.572 0.020 . 2 . . . . 12 ARG HB2 . 15635 1 110 . 1 1 14 14 ARG HB3 H 1 1.572 0.020 . 2 . . . . 12 ARG HB3 . 15635 1 111 . 1 1 14 14 ARG HD2 H 1 3.062 0.020 . 2 . . . . 12 ARG HD2 . 15635 1 112 . 1 1 14 14 ARG HD3 H 1 3.062 0.020 . 2 . . . . 12 ARG HD3 . 15635 1 113 . 1 1 14 14 ARG HG2 H 1 1.331 0.020 . 2 . . . . 12 ARG HG2 . 15635 1 114 . 1 1 14 14 ARG HG3 H 1 1.295 0.020 . 2 . . . . 12 ARG HG3 . 15635 1 115 . 1 1 14 14 ARG C C 13 175.098 0.1 . 1 . . . . 12 ARG C . 15635 1 116 . 1 1 14 14 ARG CA C 13 57.370 0.1 . 1 . . . . 12 ARG CA . 15635 1 117 . 1 1 14 14 ARG CB C 13 31.631 0.1 . 1 . . . . 12 ARG CB . 15635 1 118 . 1 1 14 14 ARG CD C 13 43.865 0.1 . 1 . . . . 12 ARG CD . 15635 1 119 . 1 1 14 14 ARG CG C 13 27.227 0.1 . 1 . . . . 12 ARG CG . 15635 1 120 . 1 1 14 14 ARG N N 15 122.779 0.1 . 1 . . . . 12 ARG N . 15635 1 121 . 1 1 15 15 PHE H H 1 7.615 0.020 . 1 . . . . 13 PHE H . 15635 1 122 . 1 1 15 15 PHE HA H 1 4.510 0.020 . 1 . . . . 13 PHE HA . 15635 1 123 . 1 1 15 15 PHE HB2 H 1 3.084 0.020 . 2 . . . . 13 PHE HB2 . 15635 1 124 . 1 1 15 15 PHE HB3 H 1 2.807 0.020 . 2 . . . . 13 PHE HB3 . 15635 1 125 . 1 1 15 15 PHE HD1 H 1 7.224 0.005 . 1 . . . . 13 PHE HD1 . 15635 1 126 . 1 1 15 15 PHE HD2 H 1 7.224 0.005 . 1 . . . . 13 PHE HD2 . 15635 1 127 . 1 1 15 15 PHE HE1 H 1 7.351 0.020 . 1 . . . . 13 PHE HE1 . 15635 1 128 . 1 1 15 15 PHE HE2 H 1 7.351 0.020 . 1 . . . . 13 PHE HE2 . 15635 1 129 . 1 1 15 15 PHE C C 13 174.162 0.1 . 1 . . . . 13 PHE C . 15635 1 130 . 1 1 15 15 PHE CA C 13 56.289 0.1 . 1 . . . . 13 PHE CA . 15635 1 131 . 1 1 15 15 PHE CB C 13 41.320 0.1 . 1 . . . . 13 PHE CB . 15635 1 132 . 1 1 15 15 PHE CD1 C 13 132.565 0.1 . 1 . . . . 13 PHE CD1 . 15635 1 133 . 1 1 15 15 PHE CE1 C 13 132.047 0.1 . 1 . . . . 13 PHE CE1 . 15635 1 134 . 1 1 15 15 PHE N N 15 116.797 0.1 . 1 . . . . 13 PHE N . 15635 1 135 . 1 1 16 16 PHE H H 1 8.125 0.006 . 1 . . . . 14 PHE H . 15635 1 136 . 1 1 16 16 PHE HA H 1 4.767 0.020 . 1 . . . . 14 PHE HA . 15635 1 137 . 1 1 16 16 PHE HB2 H 1 2.898 0.020 . 2 . . . . 14 PHE HB2 . 15635 1 138 . 1 1 16 16 PHE HB3 H 1 2.775 0.020 . 2 . . . . 14 PHE HB3 . 15635 1 139 . 1 1 16 16 PHE HD1 H 1 7.022 0.020 . 1 . . . . 14 PHE HD1 . 15635 1 140 . 1 1 16 16 PHE HD2 H 1 7.022 0.020 . 1 . . . . 14 PHE HD2 . 15635 1 141 . 1 1 16 16 PHE HE1 H 1 7.324 0.020 . 1 . . . . 14 PHE HE1 . 15635 1 142 . 1 1 16 16 PHE HE2 H 1 7.324 0.020 . 1 . . . . 14 PHE HE2 . 15635 1 143 . 1 1 16 16 PHE C C 13 175.441 0.1 . 1 . . . . 14 PHE C . 15635 1 144 . 1 1 16 16 PHE CA C 13 55.767 0.1 . 1 . . . . 14 PHE CA . 15635 1 145 . 1 1 16 16 PHE CB C 13 41.320 0.1 . 1 . . . . 14 PHE CB . 15635 1 146 . 1 1 16 16 PHE CD1 C 13 132.047 0.1 . 1 . . . . 14 PHE CD1 . 15635 1 147 . 1 1 16 16 PHE CE1 C 13 131.789 0.1 . 1 . . . . 14 PHE CE1 . 15635 1 148 . 1 1 16 16 PHE N N 15 118.930 0.1 . 1 . . . . 14 PHE N . 15635 1 149 . 1 1 17 17 GLU H H 1 8.836 0.020 . 1 . . . . 15 GLU H . 15635 1 150 . 1 1 17 17 GLU HA H 1 4.579 0.020 . 1 . . . . 15 GLU HA . 15635 1 151 . 1 1 17 17 GLU HB2 H 1 2.026 0.020 . 2 . . . . 15 GLU HB2 . 15635 1 152 . 1 1 17 17 GLU HB3 H 1 2.155 0.020 . 2 . . . . 15 GLU HB3 . 15635 1 153 . 1 1 17 17 GLU HG2 H 1 2.392 0.020 . 2 . . . . 15 GLU HG2 . 15635 1 154 . 1 1 17 17 GLU HG3 H 1 2.323 0.020 . 2 . . . . 15 GLU HG3 . 15635 1 155 . 1 1 17 17 GLU C C 13 176.857 0.1 . 1 . . . . 15 GLU C . 15635 1 156 . 1 1 17 17 GLU CA C 13 56.289 0.1 . 1 . . . . 15 GLU CA . 15635 1 157 . 1 1 17 17 GLU CB C 13 31.173 0.1 . 1 . . . . 15 GLU CB . 15635 1 158 . 1 1 17 17 GLU CG C 13 36.818 0.1 . 1 . . . . 15 GLU CG . 15635 1 159 . 1 1 17 17 GLU N N 15 122.929 0.1 . 1 . . . . 15 GLU N . 15635 1 160 . 1 1 18 18 SER H H 1 8.751 0.005 . 1 . . . . 16 SER H . 15635 1 161 . 1 1 18 18 SER HA H 1 4.762 0.006 . 1 . . . . 16 SER HA . 15635 1 162 . 1 1 18 18 SER HB2 H 1 3.911 0.020 . 2 . . . . 16 SER HB2 . 15635 1 163 . 1 1 18 18 SER HB3 H 1 3.782 0.020 . 2 . . . . 16 SER HB3 . 15635 1 164 . 1 1 18 18 SER C C 13 177.497 0.1 . 1 . . . . 16 SER C . 15635 1 165 . 1 1 18 18 SER CA C 13 59.328 0.1 . 1 . . . . 16 SER CA . 15635 1 166 . 1 1 18 18 SER CB C 13 64.515 0.1 . 1 . . . . 16 SER CB . 15635 1 167 . 1 1 18 18 SER N N 15 118.860 0.1 . 1 . . . . 16 SER N . 15635 1 168 . 1 1 19 19 HIS H H 1 8.761 0.020 . 1 . . . . 17 HIS H . 15635 1 169 . 1 1 19 19 HIS HA H 1 4.859 0.020 . 1 . . . . 17 HIS HA . 15635 1 170 . 1 1 19 19 HIS HB2 H 1 3.248 0.020 . 2 . . . . 17 HIS HB2 . 15635 1 171 . 1 1 19 19 HIS HB3 H 1 3.248 0.020 . 2 . . . . 17 HIS HB3 . 15635 1 172 . 1 1 19 19 HIS HD2 H 1 7.175 0.006 . 1 . . . . 17 HIS HD2 . 15635 1 173 . 1 1 19 19 HIS HE1 H 1 8.028 0.020 . 1 . . . . 17 HIS HE1 . 15635 1 174 . 1 1 19 19 HIS C C 13 174.618 0.1 . 1 . . . . 17 HIS C . 15635 1 175 . 1 1 19 19 HIS CA C 13 56.449 0.1 . 1 . . . . 17 HIS CA . 15635 1 176 . 1 1 19 19 HIS CB C 13 29.870 0.1 . 1 . . . . 17 HIS CB . 15635 1 177 . 1 1 19 19 HIS CD2 C 13 120.400 0.1 . 1 . . . . 17 HIS CD2 . 15635 1 178 . 1 1 19 19 HIS CE1 C 13 138.518 0.1 . 1 . . . . 17 HIS CE1 . 15635 1 179 . 1 1 19 19 HIS N N 15 120.535 0.1 . 1 . . . . 17 HIS N . 15635 1 180 . 1 1 20 20 VAL H H 1 7.157 0.004 . 1 . . . . 18 VAL H . 15635 1 181 . 1 1 20 20 VAL HA H 1 4.181 0.020 . 1 . . . . 18 VAL HA . 15635 1 182 . 1 1 20 20 VAL HB H 1 1.953 0.020 . 1 . . . . 18 VAL HB . 15635 1 183 . 1 1 20 20 VAL HG11 H 1 0.907 0.020 . 2 . . . . 18 VAL QG1 . 15635 1 184 . 1 1 20 20 VAL HG12 H 1 0.907 0.020 . 2 . . . . 18 VAL QG1 . 15635 1 185 . 1 1 20 20 VAL HG13 H 1 0.907 0.020 . 2 . . . . 18 VAL QG1 . 15635 1 186 . 1 1 20 20 VAL HG21 H 1 0.907 0.020 . 2 . . . . 18 VAL QG2 . 15635 1 187 . 1 1 20 20 VAL HG22 H 1 0.907 0.020 . 2 . . . . 18 VAL QG2 . 15635 1 188 . 1 1 20 20 VAL HG23 H 1 0.907 0.020 . 2 . . . . 18 VAL QG2 . 15635 1 189 . 1 1 20 20 VAL C C 13 174.436 0.1 . 1 . . . . 18 VAL C . 15635 1 190 . 1 1 20 20 VAL CA C 13 62.167 0.1 . 1 . . . . 18 VAL CA . 15635 1 191 . 1 1 20 20 VAL CB C 13 34.426 0.1 . 1 . . . . 18 VAL CB . 15635 1 192 . 1 1 20 20 VAL CG1 C 13 22.489 0.1 . 1 . . . . 18 VAL CG1 . 15635 1 193 . 1 1 20 20 VAL N N 15 120.872 0.1 . 1 . . . . 18 VAL N . 15635 1 194 . 1 1 21 21 ALA H H 1 8.521 0.001 . 1 . . . . 19 ALA H . 15635 1 195 . 1 1 21 21 ALA HA H 1 4.372 0.020 . 1 . . . . 19 ALA HA . 15635 1 196 . 1 1 21 21 ALA HB1 H 1 1.362 0.020 . 1 . . . . 19 ALA QB . 15635 1 197 . 1 1 21 21 ALA HB2 H 1 1.362 0.020 . 1 . . . . 19 ALA QB . 15635 1 198 . 1 1 21 21 ALA HB3 H 1 1.362 0.020 . 1 . . . . 19 ALA QB . 15635 1 199 . 1 1 21 21 ALA C C 13 177.657 0.1 . 1 . . . . 19 ALA C . 15635 1 200 . 1 1 21 21 ALA CA C 13 51.193 0.1 . 1 . . . . 19 ALA CA . 15635 1 201 . 1 1 21 21 ALA CB C 13 19.790 0.1 . 1 . . . . 19 ALA CB . 15635 1 202 . 1 1 21 21 ALA N N 15 131.339 0.1 . 1 . . . . 19 ALA N . 15635 1 203 . 1 1 22 22 ARG H H 1 7.790 0.001 . 1 . . . . 20 ARG H . 15635 1 204 . 1 1 22 22 ARG HA H 1 2.445 0.020 . 1 . . . . 20 ARG HA . 15635 1 205 . 1 1 22 22 ARG HB2 H 1 1.062 0.020 . 2 . . . . 20 ARG HB2 . 15635 1 206 . 1 1 22 22 ARG HB3 H 1 0.444 0.020 . 2 . . . . 20 ARG HB3 . 15635 1 207 . 1 1 22 22 ARG HD2 H 1 2.897 0.002 . 2 . . . . 20 ARG HD2 . 15635 1 208 . 1 1 22 22 ARG HD3 H 1 2.897 0.002 . 2 . . . . 20 ARG HD3 . 15635 1 209 . 1 1 22 22 ARG HG2 H 1 1.194 0.001 . 2 . . . . 20 ARG HG2 . 15635 1 210 . 1 1 22 22 ARG HG3 H 1 0.860 0.003 . 2 . . . . 20 ARG HG3 . 15635 1 211 . 1 1 22 22 ARG C C 13 178.365 0.1 . 1 . . . . 20 ARG C . 15635 1 212 . 1 1 22 22 ARG CA C 13 59.379 0.1 . 1 . . . . 20 ARG CA . 15635 1 213 . 1 1 22 22 ARG CB C 13 29.572 0.1 . 1 . . . . 20 ARG CB . 15635 1 214 . 1 1 22 22 ARG CD C 13 44.132 0.1 . 1 . . . . 20 ARG CD . 15635 1 215 . 1 1 22 22 ARG CG C 13 26.984 0.1 . 1 . . . . 20 ARG CG . 15635 1 216 . 1 1 22 22 ARG N N 15 124.365 0.1 . 1 . . . . 20 ARG N . 15635 1 217 . 1 1 23 23 ALA H H 1 8.120 0.020 . 1 . . . . 21 ALA H . 15635 1 218 . 1 1 23 23 ALA HA H 1 4.060 0.020 . 1 . . . . 21 ALA HA . 15635 1 219 . 1 1 23 23 ALA HB1 H 1 1.309 0.020 . 1 . . . . 21 ALA QB . 15635 1 220 . 1 1 23 23 ALA HB2 H 1 1.309 0.020 . 1 . . . . 21 ALA QB . 15635 1 221 . 1 1 23 23 ALA HB3 H 1 1.309 0.020 . 1 . . . . 21 ALA QB . 15635 1 222 . 1 1 23 23 ALA C C 13 178.000 0.1 . 1 . . . . 21 ALA C . 15635 1 223 . 1 1 23 23 ALA CA C 13 54.100 0.1 . 1 . . . . 21 ALA CA . 15635 1 224 . 1 1 23 23 ALA CB C 13 18.713 0.1 . 1 . . . . 21 ALA CB . 15635 1 225 . 1 1 23 23 ALA N N 15 117.156 0.1 . 1 . . . . 21 ALA N . 15635 1 226 . 1 1 24 24 ASN H H 1 7.717 0.004 . 1 . . . . 22 ASN H . 15635 1 227 . 1 1 24 24 ASN HA H 1 5.010 0.003 . 1 . . . . 22 ASN HA . 15635 1 228 . 1 1 24 24 ASN HB2 H 1 3.087 0.020 . 2 . . . . 22 ASN HB2 . 15635 1 229 . 1 1 24 24 ASN HB3 H 1 2.663 0.020 . 2 . . . . 22 ASN HB3 . 15635 1 230 . 1 1 24 24 ASN HD21 H 1 7.590 0.020 . 2 . . . . 22 ASN HD21 . 15635 1 231 . 1 1 24 24 ASN HD22 H 1 7.089 0.020 . 2 . . . . 22 ASN HD22 . 15635 1 232 . 1 1 24 24 ASN C C 13 174.938 0.1 . 1 . . . . 22 ASN C . 15635 1 233 . 1 1 24 24 ASN CA C 13 52.869 0.1 . 1 . . . . 22 ASN CA . 15635 1 234 . 1 1 24 24 ASN CB C 13 40.573 0.1 . 1 . . . . 22 ASN CB . 15635 1 235 . 1 1 24 24 ASN N N 15 112.819 0.1 . 1 . . . . 22 ASN N . 15635 1 236 . 1 1 24 24 ASN ND2 N 15 111.993 0.019 . 1 . . . . 22 ASN ND2 . 15635 1 237 . 1 1 25 25 VAL H H 1 7.489 0.005 . 1 . . . . 23 VAL H . 15635 1 238 . 1 1 25 25 VAL HA H 1 4.888 0.020 . 1 . . . . 23 VAL HA . 15635 1 239 . 1 1 25 25 VAL HB H 1 1.756 0.001 . 1 . . . . 23 VAL HB . 15635 1 240 . 1 1 25 25 VAL HG11 H 1 0.899 0.020 . 2 . . . . 23 VAL QG1 . 15635 1 241 . 1 1 25 25 VAL HG12 H 1 0.899 0.020 . 2 . . . . 23 VAL QG1 . 15635 1 242 . 1 1 25 25 VAL HG13 H 1 0.899 0.020 . 2 . . . . 23 VAL QG1 . 15635 1 243 . 1 1 25 25 VAL HG21 H 1 0.763 0.020 . 2 . . . . 23 VAL QG2 . 15635 1 244 . 1 1 25 25 VAL HG22 H 1 0.763 0.020 . 2 . . . . 23 VAL QG2 . 15635 1 245 . 1 1 25 25 VAL HG23 H 1 0.763 0.020 . 2 . . . . 23 VAL QG2 . 15635 1 246 . 1 1 25 25 VAL C C 13 175.829 0.1 . 1 . . . . 23 VAL C . 15635 1 247 . 1 1 25 25 VAL CA C 13 59.870 0.1 . 1 . . . . 23 VAL CA . 15635 1 248 . 1 1 25 25 VAL CB C 13 35.396 0.1 . 1 . . . . 23 VAL CB . 15635 1 249 . 1 1 25 25 VAL CG1 C 13 22.432 0.1 . 1 . . . . 23 VAL CG1 . 15635 1 250 . 1 1 25 25 VAL CG2 C 13 21.807 0.1 . 1 . . . . 23 VAL CG2 . 15635 1 251 . 1 1 25 25 VAL N N 15 119.721 0.1 . 1 . . . . 23 VAL N . 15635 1 252 . 1 1 26 26 LYS H H 1 9.479 0.009 . 1 . . . . 24 LYS H . 15635 1 253 . 1 1 26 26 LYS HA H 1 4.353 0.004 . 1 . . . . 24 LYS HA . 15635 1 254 . 1 1 26 26 LYS HB2 H 1 1.690 0.020 . 2 . . . . 24 LYS HB2 . 15635 1 255 . 1 1 26 26 LYS HB3 H 1 1.307 0.020 . 2 . . . . 24 LYS HB3 . 15635 1 256 . 1 1 26 26 LYS HD2 H 1 1.659 0.020 . 2 . . . . 24 LYS HD2 . 15635 1 257 . 1 1 26 26 LYS HD3 H 1 1.659 0.020 . 2 . . . . 24 LYS HD3 . 15635 1 258 . 1 1 26 26 LYS HE2 H 1 3.031 0.020 . 2 . . . . 24 LYS HE2 . 15635 1 259 . 1 1 26 26 LYS HE3 H 1 3.031 0.020 . 2 . . . . 24 LYS HE3 . 15635 1 260 . 1 1 26 26 LYS HG2 H 1 1.398 0.020 . 2 . . . . 24 LYS HG2 . 15635 1 261 . 1 1 26 26 LYS HG3 H 1 1.343 0.020 . 2 . . . . 24 LYS HG3 . 15635 1 262 . 1 1 26 26 LYS C C 13 176.606 0.1 . 1 . . . . 24 LYS C . 15635 1 263 . 1 1 26 26 LYS CA C 13 58.977 0.1 . 1 . . . . 24 LYS CA . 15635 1 264 . 1 1 26 26 LYS CB C 13 34.567 0.1 . 1 . . . . 24 LYS CB . 15635 1 265 . 1 1 26 26 LYS CD C 13 30.359 0.1 . 1 . . . . 24 LYS CD . 15635 1 266 . 1 1 26 26 LYS CE C 13 42.191 0.1 . 1 . . . . 24 LYS CE . 15635 1 267 . 1 1 26 26 LYS CG C 13 25.759 0.1 . 1 . . . . 24 LYS CG . 15635 1 268 . 1 1 26 26 LYS N N 15 127.843 0.1 . 1 . . . . 24 LYS N . 15635 1 269 . 1 1 27 27 HIS H H 1 7.237 0.003 . 1 . . . . 25 HIS H . 15635 1 270 . 1 1 27 27 HIS HA H 1 4.979 0.020 . 1 . . . . 25 HIS HA . 15635 1 271 . 1 1 27 27 HIS HB2 H 1 3.608 0.020 . 2 . . . . 25 HIS HB2 . 15635 1 272 . 1 1 27 27 HIS HB3 H 1 3.118 0.020 . 2 . . . . 25 HIS HB3 . 15635 1 273 . 1 1 27 27 HIS HD2 H 1 6.608 0.020 . 1 . . . . 25 HIS HD2 . 15635 1 274 . 1 1 27 27 HIS HE1 H 1 7.804 0.020 . 1 . . . . 25 HIS HE1 . 15635 1 275 . 1 1 27 27 HIS C C 13 178.434 0.1 . 1 . . . . 25 HIS C . 15635 1 276 . 1 1 27 27 HIS CA C 13 55.406 0.1 . 1 . . . . 25 HIS CA . 15635 1 277 . 1 1 27 27 HIS CB C 13 32.480 0.1 . 1 . . . . 25 HIS CB . 15635 1 278 . 1 1 27 27 HIS CD2 C 13 121.435 0.1 . 1 . . . . 25 HIS CD2 . 15635 1 279 . 1 1 27 27 HIS CE1 C 13 138.518 0.1 . 1 . . . . 25 HIS CE1 . 15635 1 280 . 1 1 27 27 HIS N N 15 109.556 0.1 . 1 . . . . 25 HIS N . 15635 1 281 . 1 1 28 28 LEU H H 1 8.189 0.002 . 1 . . . . 26 LEU H . 15635 1 282 . 1 1 28 28 LEU HA H 1 5.190 0.020 . 1 . . . . 26 LEU HA . 15635 1 283 . 1 1 28 28 LEU HB2 H 1 1.708 0.020 . 2 . . . . 26 LEU HB2 . 15635 1 284 . 1 1 28 28 LEU HB3 H 1 1.272 0.020 . 2 . . . . 26 LEU HB3 . 15635 1 285 . 1 1 28 28 LEU HD11 H 1 0.578 0.003 . 2 . . . . 26 LEU QD1 . 15635 1 286 . 1 1 28 28 LEU HD12 H 1 0.578 0.003 . 2 . . . . 26 LEU QD1 . 15635 1 287 . 1 1 28 28 LEU HD13 H 1 0.578 0.003 . 2 . . . . 26 LEU QD1 . 15635 1 288 . 1 1 28 28 LEU HD21 H 1 0.792 0.002 . 2 . . . . 26 LEU QD2 . 15635 1 289 . 1 1 28 28 LEU HD22 H 1 0.792 0.002 . 2 . . . . 26 LEU QD2 . 15635 1 290 . 1 1 28 28 LEU HD23 H 1 0.792 0.002 . 2 . . . . 26 LEU QD2 . 15635 1 291 . 1 1 28 28 LEU HG H 1 1.491 0.020 . 1 . . . . 26 LEU HG . 15635 1 292 . 1 1 28 28 LEU C C 13 175.510 0.1 . 1 . . . . 26 LEU C . 15635 1 293 . 1 1 28 28 LEU CA C 13 53.480 0.1 . 1 . . . . 26 LEU CA . 15635 1 294 . 1 1 28 28 LEU CB C 13 45.235 0.1 . 1 . . . . 26 LEU CB . 15635 1 295 . 1 1 28 28 LEU CD1 C 13 26.013 0.1 . 1 . . . . 26 LEU CD1 . 15635 1 296 . 1 1 28 28 LEU CD2 C 13 24.187 0.1 . 1 . . . . 26 LEU CD2 . 15635 1 297 . 1 1 28 28 LEU CG C 13 26.653 0.1 . 1 . . . . 26 LEU CG . 15635 1 298 . 1 1 28 28 LEU N N 15 117.260 0.1 . 1 . . . . 26 LEU N . 15635 1 299 . 1 1 29 29 LYS H H 1 9.572 0.005 . 1 . . . . 27 LYS H . 15635 1 300 . 1 1 29 29 LYS HA H 1 5.372 0.020 . 1 . . . . 27 LYS HA . 15635 1 301 . 1 1 29 29 LYS HB2 H 1 1.579 0.003 . 2 . . . . 27 LYS HB2 . 15635 1 302 . 1 1 29 29 LYS HB3 H 1 1.579 0.003 . 2 . . . . 27 LYS HB3 . 15635 1 303 . 1 1 29 29 LYS HD2 H 1 1.032 0.020 . 2 . . . . 27 LYS HD2 . 15635 1 304 . 1 1 29 29 LYS HD3 H 1 0.991 0.020 . 2 . . . . 27 LYS HD3 . 15635 1 305 . 1 1 29 29 LYS HE2 H 1 2.565 0.020 . 2 . . . . 27 LYS HE2 . 15635 1 306 . 1 1 29 29 LYS HE3 H 1 2.421 0.020 . 2 . . . . 27 LYS HE3 . 15635 1 307 . 1 1 29 29 LYS HG2 H 1 1.028 0.020 . 2 . . . . 27 LYS HG2 . 15635 1 308 . 1 1 29 29 LYS HG3 H 1 1.274 0.020 . 2 . . . . 27 LYS HG3 . 15635 1 309 . 1 1 29 29 LYS C C 13 174.801 0.1 . 1 . . . . 27 LYS C . 15635 1 310 . 1 1 29 29 LYS CA C 13 55.165 0.1 . 1 . . . . 27 LYS CA . 15635 1 311 . 1 1 29 29 LYS CB C 13 35.253 0.1 . 1 . . . . 27 LYS CB . 15635 1 312 . 1 1 29 29 LYS CD C 13 29.925 0.1 . 1 . . . . 27 LYS CD . 15635 1 313 . 1 1 29 29 LYS CE C 13 41.402 0.1 . 1 . . . . 27 LYS CE . 15635 1 314 . 1 1 29 29 LYS CG C 13 25.559 0.1 . 1 . . . . 27 LYS CG . 15635 1 315 . 1 1 29 29 LYS N N 15 123.488 0.1 . 1 . . . . 27 LYS N . 15635 1 316 . 1 1 30 30 ILE H H 1 9.136 0.005 . 1 . . . . 28 ILE H . 15635 1 317 . 1 1 30 30 ILE HA H 1 4.926 0.005 . 1 . . . . 28 ILE HA . 15635 1 318 . 1 1 30 30 ILE HB H 1 1.858 0.020 . 1 . . . . 28 ILE HB . 15635 1 319 . 1 1 30 30 ILE HD11 H 1 0.784 0.020 . 1 . . . . 28 ILE QD1 . 15635 1 320 . 1 1 30 30 ILE HD12 H 1 0.784 0.020 . 1 . . . . 28 ILE QD1 . 15635 1 321 . 1 1 30 30 ILE HD13 H 1 0.784 0.020 . 1 . . . . 28 ILE QD1 . 15635 1 322 . 1 1 30 30 ILE HG12 H 1 1.513 0.020 . 2 . . . . 28 ILE HG12 . 15635 1 323 . 1 1 30 30 ILE HG13 H 1 1.513 0.020 . 2 . . . . 28 ILE HG13 . 15635 1 324 . 1 1 30 30 ILE HG21 H 1 0.962 0.020 . 1 . . . . 28 ILE QG2 . 15635 1 325 . 1 1 30 30 ILE HG22 H 1 0.962 0.020 . 1 . . . . 28 ILE QG2 . 15635 1 326 . 1 1 30 30 ILE HG23 H 1 0.962 0.020 . 1 . . . . 28 ILE QG2 . 15635 1 327 . 1 1 30 30 ILE C C 13 176.949 0.1 . 1 . . . . 28 ILE C . 15635 1 328 . 1 1 30 30 ILE CA C 13 60.542 0.1 . 1 . . . . 28 ILE CA . 15635 1 329 . 1 1 30 30 ILE CB C 13 39.600 0.1 . 1 . . . . 28 ILE CB . 15635 1 330 . 1 1 30 30 ILE CD1 C 13 14.041 0.1 . 1 . . . . 28 ILE CD1 . 15635 1 331 . 1 1 30 30 ILE CG1 C 13 27.631 0.1 . 1 . . . . 28 ILE CG1 . 15635 1 332 . 1 1 30 30 ILE CG2 C 13 18.698 0.1 . 1 . . . . 28 ILE CG2 . 15635 1 333 . 1 1 30 30 ILE N N 15 123.846 0.1 . 1 . . . . 28 ILE N . 15635 1 334 . 1 1 31 31 LEU H H 1 8.830 0.020 . 1 . . . . 29 LEU H . 15635 1 335 . 1 1 31 31 LEU HA H 1 4.535 0.020 . 1 . . . . 29 LEU HA . 15635 1 336 . 1 1 31 31 LEU HB2 H 1 2.338 0.020 . 2 . . . . 29 LEU HB2 . 15635 1 337 . 1 1 31 31 LEU HB3 H 1 1.958 0.003 . 2 . . . . 29 LEU HB3 . 15635 1 338 . 1 1 31 31 LEU HD11 H 1 0.888 0.020 . 2 . . . . 29 LEU QD1 . 15635 1 339 . 1 1 31 31 LEU HD12 H 1 0.888 0.020 . 2 . . . . 29 LEU QD1 . 15635 1 340 . 1 1 31 31 LEU HD13 H 1 0.888 0.020 . 2 . . . . 29 LEU QD1 . 15635 1 341 . 1 1 31 31 LEU HD21 H 1 0.823 0.020 . 2 . . . . 29 LEU QD2 . 15635 1 342 . 1 1 31 31 LEU HD22 H 1 0.823 0.020 . 2 . . . . 29 LEU QD2 . 15635 1 343 . 1 1 31 31 LEU HD23 H 1 0.823 0.020 . 2 . . . . 29 LEU QD2 . 15635 1 344 . 1 1 31 31 LEU C C 13 176.012 0.1 . 1 . . . . 29 LEU C . 15635 1 345 . 1 1 31 31 LEU CA C 13 55.366 0.1 . 1 . . . . 29 LEU CA . 15635 1 346 . 1 1 31 31 LEU CB C 13 43.180 0.1 . 1 . . . . 29 LEU CB . 15635 1 347 . 1 1 31 31 LEU CD1 C 13 25.808 0.1 . 1 . . . . 29 LEU CD1 . 15635 1 348 . 1 1 31 31 LEU CD2 C 13 23.425 0.1 . 1 . . . . 29 LEU CD2 . 15635 1 349 . 1 1 31 31 LEU N N 15 128.649 0.1 . 1 . . . . 29 LEU N . 15635 1 350 . 1 1 32 32 ASN H H 1 8.216 0.006 . 1 . . . . 30 ASN H . 15635 1 351 . 1 1 32 32 ASN HA H 1 5.013 0.020 . 1 . . . . 30 ASN HA . 15635 1 352 . 1 1 32 32 ASN HB2 H 1 2.907 0.020 . 2 . . . . 30 ASN HB2 . 15635 1 353 . 1 1 32 32 ASN HB3 H 1 2.368 0.020 . 2 . . . . 30 ASN HB3 . 15635 1 354 . 1 1 32 32 ASN HD21 H 1 7.606 0.020 . 2 . . . . 30 ASN HD21 . 15635 1 355 . 1 1 32 32 ASN HD22 H 1 6.266 0.020 . 2 . . . . 30 ASN HD22 . 15635 1 356 . 1 1 32 32 ASN C C 13 174.664 0.1 . 1 . . . . 30 ASN C . 15635 1 357 . 1 1 32 32 ASN CA C 13 52.517 0.1 . 1 . . . . 30 ASN CA . 15635 1 358 . 1 1 32 32 ASN CB C 13 38.776 0.1 . 1 . . . . 30 ASN CB . 15635 1 359 . 1 1 32 32 ASN N N 15 120.791 0.1 . 1 . . . . 30 ASN N . 15635 1 360 . 1 1 32 32 ASN ND2 N 15 111.738 0.1 . 1 . . . . 30 ASN ND2 . 15635 1 361 . 1 1 33 33 THR H H 1 7.883 0.020 . 1 . . . . 31 THR H . 15635 1 362 . 1 1 33 33 THR HA H 1 4.842 0.002 . 1 . . . . 31 THR HA . 15635 1 363 . 1 1 33 33 THR HB H 1 4.196 0.002 . 1 . . . . 31 THR HB . 15635 1 364 . 1 1 33 33 THR HG21 H 1 1.175 0.020 . 1 . . . . 31 THR QG2 . 15635 1 365 . 1 1 33 33 THR HG22 H 1 1.175 0.020 . 1 . . . . 31 THR QG2 . 15635 1 366 . 1 1 33 33 THR HG23 H 1 1.175 0.020 . 1 . . . . 31 THR QG2 . 15635 1 367 . 1 1 33 33 THR CA C 13 58.369 0.1 . 1 . . . . 31 THR CA . 15635 1 368 . 1 1 33 33 THR CB C 13 70.018 0.1 . 1 . . . . 31 THR CB . 15635 1 369 . 1 1 33 33 THR CG2 C 13 22.130 0.1 . 1 . . . . 31 THR CG2 . 15635 1 370 . 1 1 33 33 THR N N 15 115.811 0.1 . 1 . . . . 31 THR N . 15635 1 371 . 1 1 34 34 PRO HA H 1 4.317 0.020 . 1 . . . . 32 PRO HA . 15635 1 372 . 1 1 34 34 PRO HB2 H 1 1.866 0.020 . 2 . . . . 32 PRO HB2 . 15635 1 373 . 1 1 34 34 PRO HB3 H 1 2.334 0.001 . 2 . . . . 32 PRO HB3 . 15635 1 374 . 1 1 34 34 PRO HD2 H 1 3.777 0.004 . 2 . . . . 32 PRO HD2 . 15635 1 375 . 1 1 34 34 PRO HD3 H 1 3.777 0.004 . 2 . . . . 32 PRO HD3 . 15635 1 376 . 1 1 34 34 PRO HG2 H 1 2.020 0.020 . 2 . . . . 32 PRO HG2 . 15635 1 377 . 1 1 34 34 PRO HG3 H 1 2.020 0.020 . 2 . . . . 32 PRO HG3 . 15635 1 378 . 1 1 34 34 PRO CA C 13 65.164 0.1 . 1 . . . . 32 PRO CA . 15635 1 379 . 1 1 34 34 PRO CB C 13 32.484 0.1 . 1 . . . . 32 PRO CB . 15635 1 380 . 1 1 34 34 PRO CD C 13 51.251 0.1 . 1 . . . . 32 PRO CD . 15635 1 381 . 1 1 34 34 PRO CG C 13 27.631 0.1 . 1 . . . . 32 PRO CG . 15635 1 382 . 1 1 35 35 ASN H H 1 8.254 0.020 . 1 . . . . 33 ASN H . 15635 1 383 . 1 1 35 35 ASN HA H 1 4.651 0.020 . 1 . . . . 33 ASN HA . 15635 1 384 . 1 1 35 35 ASN HB2 H 1 2.761 0.020 . 2 . . . . 33 ASN HB2 . 15635 1 385 . 1 1 35 35 ASN HB3 H 1 2.761 0.020 . 2 . . . . 33 ASN HB3 . 15635 1 386 . 1 1 35 35 ASN HD21 H 1 7.570 0.020 . 2 . . . . 33 ASN HD21 . 15635 1 387 . 1 1 35 35 ASN HD22 H 1 6.892 0.020 . 2 . . . . 33 ASN HD22 . 15635 1 388 . 1 1 35 35 ASN C C 13 174.710 0.1 . 1 . . . . 33 ASN C . 15635 1 389 . 1 1 35 35 ASN CA C 13 54.532 0.1 . 1 . . . . 33 ASN CA . 15635 1 390 . 1 1 35 35 ASN CB C 13 39.167 0.1 . 1 . . . . 33 ASN CB . 15635 1 391 . 1 1 35 35 ASN N N 15 120.081 0.1 . 1 . . . . 33 ASN N . 15635 1 392 . 1 1 35 35 ASN ND2 N 15 112.472 0.1 . 1 . . . . 33 ASN ND2 . 15635 1 393 . 1 1 36 36 CYS H H 1 7.548 0.020 . 1 . . . . 34 CYS H . 15635 1 394 . 1 1 36 36 CYS HA H 1 4.694 0.007 . 1 . . . . 34 CYS HA . 15635 1 395 . 1 1 36 36 CYS HB2 H 1 3.119 0.020 . 2 . . . . 34 CYS HB2 . 15635 1 396 . 1 1 36 36 CYS HB3 H 1 3.006 0.020 . 2 . . . . 34 CYS HB3 . 15635 1 397 . 1 1 36 36 CYS C C 13 173.865 0.1 . 1 . . . . 34 CYS C . 15635 1 398 . 1 1 36 36 CYS CA C 13 55.447 0.1 . 1 . . . . 34 CYS CA . 15635 1 399 . 1 1 36 36 CYS CB C 13 45.228 0.1 . 1 . . . . 34 CYS CB . 15635 1 400 . 1 1 36 36 CYS N N 15 117.076 0.1 . 1 . . . . 34 CYS N . 15635 1 401 . 1 1 37 37 ALA H H 1 8.472 0.020 . 1 . . . . 35 ALA H . 15635 1 402 . 1 1 37 37 ALA HA H 1 4.236 0.020 . 1 . . . . 35 ALA HA . 15635 1 403 . 1 1 37 37 ALA HB1 H 1 1.449 0.020 . 1 . . . . 35 ALA QB . 15635 1 404 . 1 1 37 37 ALA HB2 H 1 1.449 0.020 . 1 . . . . 35 ALA QB . 15635 1 405 . 1 1 37 37 ALA HB3 H 1 1.449 0.020 . 1 . . . . 35 ALA QB . 15635 1 406 . 1 1 37 37 ALA C C 13 176.423 0.1 . 1 . . . . 35 ALA C . 15635 1 407 . 1 1 37 37 ALA CA C 13 53.537 0.1 . 1 . . . . 35 ALA CA . 15635 1 408 . 1 1 37 37 ALA CB C 13 19.202 0.1 . 1 . . . . 35 ALA CB . 15635 1 409 . 1 1 37 37 ALA N N 15 125.153 0.1 . 1 . . . . 35 ALA N . 15635 1 410 . 1 1 38 38 CYS H H 1 8.316 0.002 . 1 . . . . 36 CYS H . 15635 1 411 . 1 1 38 38 CYS HA H 1 4.196 0.020 . 1 . . . . 36 CYS HA . 15635 1 412 . 1 1 38 38 CYS HB2 H 1 3.462 0.020 . 2 . . . . 36 CYS HB2 . 15635 1 413 . 1 1 38 38 CYS HB3 H 1 2.659 0.003 . 2 . . . . 36 CYS HB3 . 15635 1 414 . 1 1 38 38 CYS C C 13 173.705 0.1 . 1 . . . . 36 CYS C . 15635 1 415 . 1 1 38 38 CYS CA C 13 58.616 0.1 . 1 . . . . 36 CYS CA . 15635 1 416 . 1 1 38 38 CYS CB C 13 45.705 0.1 . 1 . . . . 36 CYS CB . 15635 1 417 . 1 1 38 38 CYS N N 15 118.837 0.1 . 1 . . . . 36 CYS N . 15635 1 418 . 1 1 39 39 GLN H H 1 8.921 0.009 . 1 . . . . 37 GLN H . 15635 1 419 . 1 1 39 39 GLN HA H 1 4.609 0.020 . 1 . . . . 37 GLN HA . 15635 1 420 . 1 1 39 39 GLN HB2 H 1 2.328 0.020 . 2 . . . . 37 GLN HB2 . 15635 1 421 . 1 1 39 39 GLN HB3 H 1 2.328 0.020 . 2 . . . . 37 GLN HB3 . 15635 1 422 . 1 1 39 39 GLN HE21 H 1 7.264 0.010 . 2 . . . . 37 GLN HE21 . 15635 1 423 . 1 1 39 39 GLN HE22 H 1 6.891 0.013 . 2 . . . . 37 GLN HE22 . 15635 1 424 . 1 1 39 39 GLN HG2 H 1 2.557 0.020 . 2 . . . . 37 GLN HG2 . 15635 1 425 . 1 1 39 39 GLN HG3 H 1 2.557 0.020 . 2 . . . . 37 GLN HG3 . 15635 1 426 . 1 1 39 39 GLN C C 13 173.636 0.1 . 1 . . . . 37 GLN C . 15635 1 427 . 1 1 39 39 GLN CA C 13 54.603 0.1 . 1 . . . . 37 GLN CA . 15635 1 428 . 1 1 39 39 GLN CB C 13 31.761 0.1 . 1 . . . . 37 GLN CB . 15635 1 429 . 1 1 39 39 GLN CG C 13 34.722 0.1 . 1 . . . . 37 GLN CG . 15635 1 430 . 1 1 39 39 GLN N N 15 128.567 0.1 . 1 . . . . 37 GLN N . 15635 1 431 . 1 1 39 39 GLN NE2 N 15 112.756 0.006 . 1 . . . . 37 GLN NE2 . 15635 1 432 . 1 1 40 40 ILE H H 1 8.893 0.003 . 1 . . . . 38 ILE H . 15635 1 433 . 1 1 40 40 ILE HA H 1 5.068 0.020 . 1 . . . . 38 ILE HA . 15635 1 434 . 1 1 40 40 ILE HB H 1 1.790 0.020 . 1 . . . . 38 ILE HB . 15635 1 435 . 1 1 40 40 ILE HD11 H 1 0.722 0.020 . 1 . . . . 38 ILE QD1 . 15635 1 436 . 1 1 40 40 ILE HD12 H 1 0.722 0.020 . 1 . . . . 38 ILE QD1 . 15635 1 437 . 1 1 40 40 ILE HD13 H 1 0.722 0.020 . 1 . . . . 38 ILE QD1 . 15635 1 438 . 1 1 40 40 ILE HG12 H 1 1.814 0.020 . 2 . . . . 38 ILE HG12 . 15635 1 439 . 1 1 40 40 ILE HG13 H 1 1.814 0.020 . 2 . . . . 38 ILE HG13 . 15635 1 440 . 1 1 40 40 ILE HG21 H 1 0.755 0.020 . 1 . . . . 38 ILE QG2 . 15635 1 441 . 1 1 40 40 ILE HG22 H 1 0.755 0.020 . 1 . . . . 38 ILE QG2 . 15635 1 442 . 1 1 40 40 ILE HG23 H 1 0.755 0.020 . 1 . . . . 38 ILE QG2 . 15635 1 443 . 1 1 40 40 ILE C C 13 174.390 0.1 . 1 . . . . 38 ILE C . 15635 1 444 . 1 1 40 40 ILE CA C 13 60.582 0.1 . 1 . . . . 38 ILE CA . 15635 1 445 . 1 1 40 40 ILE CB C 13 40.048 0.1 . 1 . . . . 38 ILE CB . 15635 1 446 . 1 1 40 40 ILE CD1 C 13 14.371 0.1 . 1 . . . . 38 ILE CD1 . 15635 1 447 . 1 1 40 40 ILE CG1 C 13 28.278 0.1 . 1 . . . . 38 ILE CG1 . 15635 1 448 . 1 1 40 40 ILE CG2 C 13 19.218 0.1 . 1 . . . . 38 ILE CG2 . 15635 1 449 . 1 1 40 40 ILE N N 15 123.962 0.1 . 1 . . . . 38 ILE N . 15635 1 450 . 1 1 41 41 VAL H H 1 9.120 0.005 . 1 . . . . 39 VAL H . 15635 1 451 . 1 1 41 41 VAL HA H 1 4.845 0.020 . 1 . . . . 39 VAL HA . 15635 1 452 . 1 1 41 41 VAL HB H 1 2.177 0.020 . 1 . . . . 39 VAL HB . 15635 1 453 . 1 1 41 41 VAL HG11 H 1 0.896 0.020 . 2 . . . . 39 VAL QG1 . 15635 1 454 . 1 1 41 41 VAL HG12 H 1 0.896 0.020 . 2 . . . . 39 VAL QG1 . 15635 1 455 . 1 1 41 41 VAL HG13 H 1 0.896 0.020 . 2 . . . . 39 VAL QG1 . 15635 1 456 . 1 1 41 41 VAL HG21 H 1 0.950 0.020 . 2 . . . . 39 VAL QG2 . 15635 1 457 . 1 1 41 41 VAL HG22 H 1 0.950 0.020 . 2 . . . . 39 VAL QG2 . 15635 1 458 . 1 1 41 41 VAL HG23 H 1 0.950 0.020 . 2 . . . . 39 VAL QG2 . 15635 1 459 . 1 1 41 41 VAL C C 13 175.487 0.1 . 1 . . . . 39 VAL C . 15635 1 460 . 1 1 41 41 VAL CA C 13 59.980 0.1 . 1 . . . . 39 VAL CA . 15635 1 461 . 1 1 41 41 VAL CB C 13 35.868 0.1 . 1 . . . . 39 VAL CB . 15635 1 462 . 1 1 41 41 VAL CG1 C 13 21.807 0.1 . 1 . . . . 39 VAL CG1 . 15635 1 463 . 1 1 41 41 VAL CG2 C 13 21.745 0.1 . 1 . . . . 39 VAL CG2 . 15635 1 464 . 1 1 41 41 VAL N N 15 126.354 0.1 . 1 . . . . 39 VAL N . 15635 1 465 . 1 1 42 42 ALA H H 1 9.513 0.020 . 1 . . . . 40 ALA H . 15635 1 466 . 1 1 42 42 ALA HA H 1 5.154 0.001 . 1 . . . . 40 ALA HA . 15635 1 467 . 1 1 42 42 ALA HB1 H 1 1.342 0.003 . 1 . . . . 40 ALA QB . 15635 1 468 . 1 1 42 42 ALA HB2 H 1 1.342 0.003 . 1 . . . . 40 ALA QB . 15635 1 469 . 1 1 42 42 ALA HB3 H 1 1.342 0.003 . 1 . . . . 40 ALA QB . 15635 1 470 . 1 1 42 42 ALA C C 13 175.944 0.1 . 1 . . . . 40 ALA C . 15635 1 471 . 1 1 42 42 ALA CA C 13 50.591 0.1 . 1 . . . . 40 ALA CA . 15635 1 472 . 1 1 42 42 ALA CB C 13 22.432 0.1 . 1 . . . . 40 ALA CB . 15635 1 473 . 1 1 42 42 ALA N N 15 128.406 0.1 . 1 . . . . 40 ALA N . 15635 1 474 . 1 1 43 43 ARG H H 1 7.717 0.005 . 1 . . . . 41 ARG H . 15635 1 475 . 1 1 43 43 ARG HA H 1 4.979 0.005 . 1 . . . . 41 ARG HA . 15635 1 476 . 1 1 43 43 ARG HB2 H 1 1.454 0.020 . 2 . . . . 41 ARG HB2 . 15635 1 477 . 1 1 43 43 ARG HB3 H 1 1.454 0.020 . 2 . . . . 41 ARG HB3 . 15635 1 478 . 1 1 43 43 ARG HD2 H 1 3.097 0.020 . 2 . . . . 41 ARG HD2 . 15635 1 479 . 1 1 43 43 ARG HD3 H 1 3.097 0.020 . 2 . . . . 41 ARG HD3 . 15635 1 480 . 1 1 43 43 ARG HG2 H 1 1.379 0.020 . 2 . . . . 41 ARG HG2 . 15635 1 481 . 1 1 43 43 ARG HG3 H 1 1.379 0.020 . 2 . . . . 41 ARG HG3 . 15635 1 482 . 1 1 43 43 ARG C C 13 175.510 0.1 . 1 . . . . 41 ARG C . 15635 1 483 . 1 1 43 43 ARG CA C 13 54.162 0.1 . 1 . . . . 41 ARG CA . 15635 1 484 . 1 1 43 43 ARG CB C 13 31.200 0.1 . 1 . . . . 41 ARG CB . 15635 1 485 . 1 1 43 43 ARG CD C 13 42.649 0.1 . 1 . . . . 41 ARG CD . 15635 1 486 . 1 1 43 43 ARG CG C 13 27.631 0.1 . 1 . . . . 41 ARG CG . 15635 1 487 . 1 1 43 43 ARG N N 15 121.663 0.1 . 1 . . . . 41 ARG N . 15635 1 488 . 1 1 44 44 LEU H H 1 9.163 0.002 . 1 . . . . 42 LEU H . 15635 1 489 . 1 1 44 44 LEU HA H 1 5.033 0.020 . 1 . . . . 42 LEU HA . 15635 1 490 . 1 1 44 44 LEU HB2 H 1 1.770 0.020 . 2 . . . . 42 LEU HB2 . 15635 1 491 . 1 1 44 44 LEU HB3 H 1 2.207 0.020 . 2 . . . . 42 LEU HB3 . 15635 1 492 . 1 1 44 44 LEU HD11 H 1 1.018 0.020 . 2 . . . . 42 LEU QD1 . 15635 1 493 . 1 1 44 44 LEU HD12 H 1 1.018 0.020 . 2 . . . . 42 LEU QD1 . 15635 1 494 . 1 1 44 44 LEU HD13 H 1 1.018 0.020 . 2 . . . . 42 LEU QD1 . 15635 1 495 . 1 1 44 44 LEU HD21 H 1 0.809 0.020 . 2 . . . . 42 LEU QD2 . 15635 1 496 . 1 1 44 44 LEU HD22 H 1 0.809 0.020 . 2 . . . . 42 LEU QD2 . 15635 1 497 . 1 1 44 44 LEU HD23 H 1 0.809 0.020 . 2 . . . . 42 LEU QD2 . 15635 1 498 . 1 1 44 44 LEU HG H 1 1.814 0.001 . 1 . . . . 42 LEU HG . 15635 1 499 . 1 1 44 44 LEU C C 13 177.840 0.1 . 1 . . . . 42 LEU C . 15635 1 500 . 1 1 44 44 LEU CA C 13 54.724 0.1 . 1 . . . . 42 LEU CA . 15635 1 501 . 1 1 44 44 LEU CB C 13 41.712 0.1 . 1 . . . . 42 LEU CB . 15635 1 502 . 1 1 44 44 LEU CD1 C 13 25.759 0.1 . 1 . . . . 42 LEU CD1 . 15635 1 503 . 1 1 44 44 LEU CD2 C 13 23.452 0.1 . 1 . . . . 42 LEU CD2 . 15635 1 504 . 1 1 44 44 LEU CG C 13 27.815 0.1 . 1 . . . . 42 LEU CG . 15635 1 505 . 1 1 44 44 LEU N N 15 129.087 0.1 . 1 . . . . 42 LEU N . 15635 1 506 . 1 1 45 45 LYS H H 1 8.417 0.005 . 1 . . . . 43 LYS H . 15635 1 507 . 1 1 45 45 LYS HA H 1 3.950 0.020 . 1 . . . . 43 LYS HA . 15635 1 508 . 1 1 45 45 LYS HB2 H 1 1.900 0.020 . 2 . . . . 43 LYS HB2 . 15635 1 509 . 1 1 45 45 LYS HB3 H 1 1.708 0.002 . 2 . . . . 43 LYS HB3 . 15635 1 510 . 1 1 45 45 LYS HD2 H 1 1.656 0.020 . 2 . . . . 43 LYS HD2 . 15635 1 511 . 1 1 45 45 LYS HD3 H 1 1.740 0.020 . 2 . . . . 43 LYS HD3 . 15635 1 512 . 1 1 45 45 LYS HE2 H 1 3.054 0.005 . 2 . . . . 43 LYS HE2 . 15635 1 513 . 1 1 45 45 LYS HE3 H 1 3.054 0.005 . 2 . . . . 43 LYS HE3 . 15635 1 514 . 1 1 45 45 LYS HG2 H 1 1.335 0.020 . 2 . . . . 43 LYS HG2 . 15635 1 515 . 1 1 45 45 LYS HG3 H 1 1.234 0.020 . 2 . . . . 43 LYS HG3 . 15635 1 516 . 1 1 45 45 LYS CA C 13 59.016 0.1 . 1 . . . . 43 LYS CA . 15635 1 517 . 1 1 45 45 LYS CB C 13 34.102 0.1 . 1 . . . . 43 LYS CB . 15635 1 518 . 1 1 45 45 LYS CD C 13 29.896 0.1 . 1 . . . . 43 LYS CD . 15635 1 519 . 1 1 45 45 LYS CG C 13 26.660 0.1 . 1 . . . . 43 LYS CG . 15635 1 520 . 1 1 45 45 LYS N N 15 119.674 0.1 . 1 . . . . 43 LYS N . 15635 1 521 . 1 1 48 48 ASN HA H 1 4.723 0.020 . 1 . . . . 46 ASN HA . 15635 1 522 . 1 1 48 48 ASN HB2 H 1 3.124 0.020 . 2 . . . . 46 ASN HB2 . 15635 1 523 . 1 1 48 48 ASN HB3 H 1 2.773 0.020 . 2 . . . . 46 ASN HB3 . 15635 1 524 . 1 1 48 48 ASN HD21 H 1 7.572 0.001 . 2 . . . . 46 ASN HD21 . 15635 1 525 . 1 1 48 48 ASN HD22 H 1 6.911 0.020 . 2 . . . . 46 ASN HD22 . 15635 1 526 . 1 1 48 48 ASN C C 13 175.098 0.1 . 1 . . . . 46 ASN C . 15635 1 527 . 1 1 48 48 ASN CA C 13 54.764 0.1 . 1 . . . . 46 ASN CA . 15635 1 528 . 1 1 48 48 ASN CB C 13 39.265 0.1 . 1 . . . . 46 ASN CB . 15635 1 529 . 1 1 48 48 ASN ND2 N 15 113.190 0.1 . 1 . . . . 46 ASN ND2 . 15635 1 530 . 1 1 49 49 ARG H H 1 7.919 0.005 . 1 . . . . 47 ARG H . 15635 1 531 . 1 1 49 49 ARG HA H 1 4.353 0.003 . 1 . . . . 47 ARG HA . 15635 1 532 . 1 1 49 49 ARG HB2 H 1 1.798 0.003 . 2 . . . . 47 ARG HB2 . 15635 1 533 . 1 1 49 49 ARG HB3 H 1 1.798 0.003 . 2 . . . . 47 ARG HB3 . 15635 1 534 . 1 1 49 49 ARG HD2 H 1 3.214 0.020 . 2 . . . . 47 ARG HD2 . 15635 1 535 . 1 1 49 49 ARG HD3 H 1 3.149 0.020 . 2 . . . . 47 ARG HD3 . 15635 1 536 . 1 1 49 49 ARG HG2 H 1 1.663 0.002 . 2 . . . . 47 ARG HG2 . 15635 1 537 . 1 1 49 49 ARG HG3 H 1 1.589 0.020 . 2 . . . . 47 ARG HG3 . 15635 1 538 . 1 1 49 49 ARG C C 13 175.601 0.1 . 1 . . . . 47 ARG C . 15635 1 539 . 1 1 49 49 ARG CA C 13 57.051 0.1 . 1 . . . . 47 ARG CA . 15635 1 540 . 1 1 49 49 ARG CB C 13 32.121 0.1 . 1 . . . . 47 ARG CB . 15635 1 541 . 1 1 49 49 ARG CD C 13 43.788 0.021 . 1 . . . . 47 ARG CD . 15635 1 542 . 1 1 49 49 ARG CG C 13 28.500 0.1 . 1 . . . . 47 ARG CG . 15635 1 543 . 1 1 49 49 ARG N N 15 119.826 0.1 . 1 . . . . 47 ARG N . 15635 1 544 . 1 1 50 50 GLN H H 1 8.547 0.006 . 1 . . . . 48 GLN H . 15635 1 545 . 1 1 50 50 GLN HA H 1 5.456 0.020 . 1 . . . . 48 GLN HA . 15635 1 546 . 1 1 50 50 GLN HB2 H 1 1.988 0.020 . 2 . . . . 48 GLN HB2 . 15635 1 547 . 1 1 50 50 GLN HB3 H 1 1.873 0.020 . 2 . . . . 48 GLN HB3 . 15635 1 548 . 1 1 50 50 GLN HE21 H 1 7.615 0.020 . 2 . . . . 48 GLN HE21 . 15635 1 549 . 1 1 50 50 GLN HE22 H 1 7.082 0.020 . 2 . . . . 48 GLN HE22 . 15635 1 550 . 1 1 50 50 GLN HG2 H 1 2.435 0.001 . 2 . . . . 48 GLN HG2 . 15635 1 551 . 1 1 50 50 GLN HG3 H 1 2.435 0.001 . 2 . . . . 48 GLN HG3 . 15635 1 552 . 1 1 50 50 GLN C C 13 175.578 0.1 . 1 . . . . 48 GLN C . 15635 1 553 . 1 1 50 50 GLN CA C 13 55.125 0.1 . 1 . . . . 48 GLN CA . 15635 1 554 . 1 1 50 50 GLN CB C 13 32.121 0.1 . 1 . . . . 48 GLN CB . 15635 1 555 . 1 1 50 50 GLN CG C 13 36.035 0.1 . 1 . . . . 48 GLN CG . 15635 1 556 . 1 1 50 50 GLN N N 15 120.767 0.1 . 1 . . . . 48 GLN N . 15635 1 557 . 1 1 50 50 GLN NE2 N 15 111.045 0.1 . 1 . . . . 48 GLN NE2 . 15635 1 558 . 1 1 51 51 VAL H H 1 8.630 0.003 . 1 . . . . 49 VAL H . 15635 1 559 . 1 1 51 51 VAL HA H 1 4.826 0.020 . 1 . . . . 49 VAL HA . 15635 1 560 . 1 1 51 51 VAL HB H 1 2.172 0.020 . 1 . . . . 49 VAL HB . 15635 1 561 . 1 1 51 51 VAL HG11 H 1 0.756 0.020 . 2 . . . . 49 VAL QG1 . 15635 1 562 . 1 1 51 51 VAL HG12 H 1 0.756 0.020 . 2 . . . . 49 VAL QG1 . 15635 1 563 . 1 1 51 51 VAL HG13 H 1 0.756 0.020 . 2 . . . . 49 VAL QG1 . 15635 1 564 . 1 1 51 51 VAL HG21 H 1 0.921 0.020 . 2 . . . . 49 VAL QG2 . 15635 1 565 . 1 1 51 51 VAL HG22 H 1 0.921 0.020 . 2 . . . . 49 VAL QG2 . 15635 1 566 . 1 1 51 51 VAL HG23 H 1 0.921 0.020 . 2 . . . . 49 VAL QG2 . 15635 1 567 . 1 1 51 51 VAL C C 13 175.258 0.1 . 1 . . . . 49 VAL C . 15635 1 568 . 1 1 51 51 VAL CA C 13 59.338 0.1 . 1 . . . . 49 VAL CA . 15635 1 569 . 1 1 51 51 VAL CB C 13 36.155 0.1 . 1 . . . . 49 VAL CB . 15635 1 570 . 1 1 51 51 VAL CG1 C 13 22.145 0.1 . 1 . . . . 49 VAL CG1 . 15635 1 571 . 1 1 51 51 VAL CG2 C 13 19.918 0.1 . 1 . . . . 49 VAL CG2 . 15635 1 572 . 1 1 51 51 VAL N N 15 116.678 0.1 . 1 . . . . 49 VAL N . 15635 1 573 . 1 1 52 52 CYS H H 1 9.100 0.003 . 1 . . . . 50 CYS H . 15635 1 574 . 1 1 52 52 CYS HA H 1 5.301 0.020 . 1 . . . . 50 CYS HA . 15635 1 575 . 1 1 52 52 CYS HB2 H 1 3.700 0.005 . 2 . . . . 50 CYS HB2 . 15635 1 576 . 1 1 52 52 CYS HB3 H 1 2.932 0.020 . 2 . . . . 50 CYS HB3 . 15635 1 577 . 1 1 52 52 CYS C C 13 174.527 0.1 . 1 . . . . 50 CYS C . 15635 1 578 . 1 1 52 52 CYS CA C 13 58.054 0.1 . 1 . . . . 50 CYS CA . 15635 1 579 . 1 1 52 52 CYS CB C 13 43.375 0.1 . 1 . . . . 50 CYS CB . 15635 1 580 . 1 1 52 52 CYS N N 15 124.549 0.1 . 1 . . . . 50 CYS N . 15635 1 581 . 1 1 53 53 ILE H H 1 8.485 0.009 . 1 . . . . 51 ILE H . 15635 1 582 . 1 1 53 53 ILE HA H 1 4.964 0.020 . 1 . . . . 51 ILE HA . 15635 1 583 . 1 1 53 53 ILE HB H 1 1.563 0.020 . 1 . . . . 51 ILE HB . 15635 1 584 . 1 1 53 53 ILE HD11 H 1 0.746 0.020 . 1 . . . . 51 ILE QD1 . 15635 1 585 . 1 1 53 53 ILE HD12 H 1 0.746 0.020 . 1 . . . . 51 ILE QD1 . 15635 1 586 . 1 1 53 53 ILE HD13 H 1 0.746 0.020 . 1 . . . . 51 ILE QD1 . 15635 1 587 . 1 1 53 53 ILE HG12 H 1 1.372 0.020 . 2 . . . . 51 ILE HG12 . 15635 1 588 . 1 1 53 53 ILE HG13 H 1 1.181 0.020 . 2 . . . . 51 ILE HG13 . 15635 1 589 . 1 1 53 53 ILE HG21 H 1 0.756 0.020 . 1 . . . . 51 ILE QG2 . 15635 1 590 . 1 1 53 53 ILE HG22 H 1 0.756 0.020 . 1 . . . . 51 ILE QG2 . 15635 1 591 . 1 1 53 53 ILE HG23 H 1 0.756 0.020 . 1 . . . . 51 ILE QG2 . 15635 1 592 . 1 1 53 53 ILE C C 13 173.019 0.1 . 1 . . . . 51 ILE C . 15635 1 593 . 1 1 53 53 ILE CA C 13 58.897 0.1 . 1 . . . . 51 ILE CA . 15635 1 594 . 1 1 53 53 ILE CB C 13 42.201 0.1 . 1 . . . . 51 ILE CB . 15635 1 595 . 1 1 53 53 ILE CD1 C 13 14.665 0.1 . 1 . . . . 51 ILE CD1 . 15635 1 596 . 1 1 53 53 ILE CG1 C 13 27.986 0.028 . 1 . . . . 51 ILE CG1 . 15635 1 597 . 1 1 53 53 ILE CG2 C 13 18.126 0.1 . 1 . . . . 51 ILE CG2 . 15635 1 598 . 1 1 53 53 ILE N N 15 122.581 0.1 . 1 . . . . 51 ILE N . 15635 1 599 . 1 1 54 54 ASP H H 1 7.661 0.006 . 1 . . . . 52 ASP H . 15635 1 600 . 1 1 54 54 ASP HA H 1 3.642 0.020 . 1 . . . . 52 ASP HA . 15635 1 601 . 1 1 54 54 ASP HB2 H 1 2.702 0.020 . 2 . . . . 52 ASP HB2 . 15635 1 602 . 1 1 54 54 ASP HB3 H 1 2.238 0.020 . 2 . . . . 52 ASP HB3 . 15635 1 603 . 1 1 54 54 ASP CA C 13 51.574 0.1 . 1 . . . . 52 ASP CA . 15635 1 604 . 1 1 54 54 ASP CB C 13 42.515 0.1 . 1 . . . . 52 ASP CB . 15635 1 605 . 1 1 54 54 ASP N N 15 125.772 0.1 . 1 . . . . 52 ASP N . 15635 1 606 . 1 1 55 55 PRO HA H 1 4.025 0.004 . 1 . . . . 53 PRO HA . 15635 1 607 . 1 1 55 55 PRO HB2 H 1 1.905 0.005 . 2 . . . . 53 PRO HB2 . 15635 1 608 . 1 1 55 55 PRO HB3 H 1 2.178 0.020 . 2 . . . . 53 PRO HB3 . 15635 1 609 . 1 1 55 55 PRO HD2 H 1 3.434 0.020 . 2 . . . . 53 PRO HD2 . 15635 1 610 . 1 1 55 55 PRO HD3 H 1 3.434 0.020 . 2 . . . . 53 PRO HD3 . 15635 1 611 . 1 1 55 55 PRO HG2 H 1 1.892 0.020 . 2 . . . . 53 PRO HG2 . 15635 1 612 . 1 1 55 55 PRO HG3 H 1 1.814 0.020 . 2 . . . . 53 PRO HG3 . 15635 1 613 . 1 1 55 55 PRO C C 13 176.126 0.1 . 1 . . . . 53 PRO C . 15635 1 614 . 1 1 55 55 PRO CA C 13 63.993 0.1 . 1 . . . . 53 PRO CA . 15635 1 615 . 1 1 55 55 PRO CB C 13 33.002 0.1 . 1 . . . . 53 PRO CB . 15635 1 616 . 1 1 55 55 PRO CD C 13 51.251 0.1 . 1 . . . . 53 PRO CD . 15635 1 617 . 1 1 55 55 PRO CG C 13 27.631 0.1 . 1 . . . . 53 PRO CG . 15635 1 618 . 1 1 56 56 LYS H H 1 7.931 0.005 . 1 . . . . 54 LYS H . 15635 1 619 . 1 1 56 56 LYS HA H 1 3.988 0.020 . 1 . . . . 54 LYS HA . 15635 1 620 . 1 1 56 56 LYS HB2 H 1 1.787 0.003 . 2 . . . . 54 LYS HB2 . 15635 1 621 . 1 1 56 56 LYS HB3 H 1 1.747 0.020 . 2 . . . . 54 LYS HB3 . 15635 1 622 . 1 1 56 56 LYS HD2 H 1 1.691 0.020 . 2 . . . . 54 LYS HD2 . 15635 1 623 . 1 1 56 56 LYS HD3 H 1 1.691 0.020 . 2 . . . . 54 LYS HD3 . 15635 1 624 . 1 1 56 56 LYS HE2 H 1 3.026 0.020 . 2 . . . . 54 LYS HE2 . 15635 1 625 . 1 1 56 56 LYS HE3 H 1 3.026 0.020 . 2 . . . . 54 LYS HE3 . 15635 1 626 . 1 1 56 56 LYS HG2 H 1 1.418 0.001 . 2 . . . . 54 LYS HG2 . 15635 1 627 . 1 1 56 56 LYS HG3 H 1 1.361 0.020 . 2 . . . . 54 LYS HG3 . 15635 1 628 . 1 1 56 56 LYS C C 13 177.931 0.1 . 1 . . . . 54 LYS C . 15635 1 629 . 1 1 56 56 LYS CA C 13 56.770 0.1 . 1 . . . . 54 LYS CA . 15635 1 630 . 1 1 56 56 LYS CB C 13 32.023 0.1 . 1 . . . . 54 LYS CB . 15635 1 631 . 1 1 56 56 LYS CD C 13 28.925 0.1 . 1 . . . . 54 LYS CD . 15635 1 632 . 1 1 56 56 LYS CE C 13 41.868 0.1 . 1 . . . . 54 LYS CE . 15635 1 633 . 1 1 56 56 LYS CG C 13 25.270 0.1 . 1 . . . . 54 LYS CG . 15635 1 634 . 1 1 56 56 LYS N N 15 112.924 0.1 . 1 . . . . 54 LYS N . 15635 1 635 . 1 1 57 57 LEU H H 1 7.162 0.003 . 1 . . . . 55 LEU H . 15635 1 636 . 1 1 57 57 LEU HA H 1 4.059 0.020 . 1 . . . . 55 LEU HA . 15635 1 637 . 1 1 57 57 LEU HB2 H 1 1.257 0.020 . 2 . . . . 55 LEU HB2 . 15635 1 638 . 1 1 57 57 LEU HB3 H 1 1.054 0.020 . 2 . . . . 55 LEU HB3 . 15635 1 639 . 1 1 57 57 LEU HD11 H 1 1.083 0.020 . 2 . . . . 55 LEU QD1 . 15635 1 640 . 1 1 57 57 LEU HD12 H 1 1.083 0.020 . 2 . . . . 55 LEU QD1 . 15635 1 641 . 1 1 57 57 LEU HD13 H 1 1.083 0.020 . 2 . . . . 55 LEU QD1 . 15635 1 642 . 1 1 57 57 LEU HD21 H 1 1.081 0.020 . 2 . . . . 55 LEU QD2 . 15635 1 643 . 1 1 57 57 LEU HD22 H 1 1.081 0.020 . 2 . . . . 55 LEU QD2 . 15635 1 644 . 1 1 57 57 LEU HD23 H 1 1.081 0.020 . 2 . . . . 55 LEU QD2 . 15635 1 645 . 1 1 57 57 LEU HG H 1 1.900 0.020 . 1 . . . . 55 LEU HG . 15635 1 646 . 1 1 57 57 LEU C C 13 179.416 0.1 . 1 . . . . 55 LEU C . 15635 1 647 . 1 1 57 57 LEU CA C 13 56.088 0.1 . 1 . . . . 55 LEU CA . 15635 1 648 . 1 1 57 57 LEU CB C 13 42.191 0.1 . 1 . . . . 55 LEU CB . 15635 1 649 . 1 1 57 57 LEU CD1 C 13 26.013 0.1 . 1 . . . . 55 LEU CD1 . 15635 1 650 . 1 1 57 57 LEU CD2 C 13 23.425 0.1 . 1 . . . . 55 LEU CD2 . 15635 1 651 . 1 1 57 57 LEU CG C 13 27.631 0.1 . 1 . . . . 55 LEU CG . 15635 1 652 . 1 1 57 57 LEU N N 15 120.593 0.1 . 1 . . . . 55 LEU N . 15635 1 653 . 1 1 58 58 LYS H H 1 8.720 0.001 . 1 . . . . 56 LYS H . 15635 1 654 . 1 1 58 58 LYS HA H 1 3.920 0.020 . 1 . . . . 56 LYS HA . 15635 1 655 . 1 1 58 58 LYS HB2 H 1 2.030 0.020 . 2 . . . . 56 LYS HB2 . 15635 1 656 . 1 1 58 58 LYS HB3 H 1 2.030 0.020 . 2 . . . . 56 LYS HB3 . 15635 1 657 . 1 1 58 58 LYS HD2 H 1 1.833 0.020 . 2 . . . . 56 LYS HD2 . 15635 1 658 . 1 1 58 58 LYS HD3 H 1 1.799 0.006 . 2 . . . . 56 LYS HD3 . 15635 1 659 . 1 1 58 58 LYS HE2 H 1 3.060 0.020 . 2 . . . . 56 LYS HE2 . 15635 1 660 . 1 1 58 58 LYS HE3 H 1 3.060 0.020 . 2 . . . . 56 LYS HE3 . 15635 1 661 . 1 1 58 58 LYS HG2 H 1 1.615 0.004 . 2 . . . . 56 LYS HG2 . 15635 1 662 . 1 1 58 58 LYS HG3 H 1 1.571 0.003 . 2 . . . . 56 LYS HG3 . 15635 1 663 . 1 1 58 58 LYS C C 13 178.937 0.1 . 1 . . . . 56 LYS C . 15635 1 664 . 1 1 58 58 LYS CA C 13 60.301 0.1 . 1 . . . . 56 LYS CA . 15635 1 665 . 1 1 58 58 LYS CB C 13 32.121 0.1 . 1 . . . . 56 LYS CB . 15635 1 666 . 1 1 58 58 LYS CD C 13 29.576 0.1 . 1 . . . . 56 LYS CD . 15635 1 667 . 1 1 58 58 LYS CE C 13 42.495 0.1 . 1 . . . . 56 LYS CE . 15635 1 668 . 1 1 58 58 LYS CG C 13 25.074 0.1 . 1 . . . . 56 LYS CG . 15635 1 669 . 1 1 58 58 LYS N N 15 125.479 0.1 . 1 . . . . 56 LYS N . 15635 1 670 . 1 1 59 59 TRP H H 1 7.811 0.020 . 1 . . . . 57 TRP H . 15635 1 671 . 1 1 59 59 TRP HA H 1 4.664 0.003 . 1 . . . . 57 TRP HA . 15635 1 672 . 1 1 59 59 TRP HB2 H 1 3.635 0.005 . 2 . . . . 57 TRP HB2 . 15635 1 673 . 1 1 59 59 TRP HB3 H 1 3.316 0.002 . 2 . . . . 57 TRP HB3 . 15635 1 674 . 1 1 59 59 TRP HD1 H 1 7.743 0.009 . 1 . . . . 57 TRP HD1 . 15635 1 675 . 1 1 59 59 TRP HE1 H 1 10.309 0.003 . 1 . . . . 57 TRP HE1 . 15635 1 676 . 1 1 59 59 TRP HE3 H 1 7.363 0.006 . 1 . . . . 57 TRP HE3 . 15635 1 677 . 1 1 59 59 TRP HH2 H 1 6.722 0.005 . 1 . . . . 57 TRP HH2 . 15635 1 678 . 1 1 59 59 TRP HZ2 H 1 7.032 0.008 . 1 . . . . 57 TRP HZ2 . 15635 1 679 . 1 1 59 59 TRP HZ3 H 1 6.631 0.020 . 1 . . . . 57 TRP HZ3 . 15635 1 680 . 1 1 59 59 TRP C C 13 178.868 0.1 . 1 . . . . 57 TRP C . 15635 1 681 . 1 1 59 59 TRP CA C 13 58.897 0.1 . 1 . . . . 57 TRP CA . 15635 1 682 . 1 1 59 59 TRP CB C 13 28.036 0.1 . 1 . . . . 57 TRP CB . 15635 1 683 . 1 1 59 59 TRP CD1 C 13 128.682 0.1 . 1 . . . . 57 TRP CD1 . 15635 1 684 . 1 1 59 59 TRP CE3 C 13 121.176 0.1 . 1 . . . . 57 TRP CE3 . 15635 1 685 . 1 1 59 59 TRP CH2 C 13 124.023 0.1 . 1 . . . . 57 TRP CH2 . 15635 1 686 . 1 1 59 59 TRP CZ2 C 13 113.929 0.1 . 1 . . . . 57 TRP CZ2 . 15635 1 687 . 1 1 59 59 TRP CZ3 C 13 121.176 0.1 . 1 . . . . 57 TRP CZ3 . 15635 1 688 . 1 1 59 59 TRP N N 15 113.433 0.1 . 1 . . . . 57 TRP N . 15635 1 689 . 1 1 59 59 TRP NE1 N 15 130.751 0.1 . 1 . . . . 57 TRP NE1 . 15635 1 690 . 1 1 60 60 ILE H H 1 6.467 0.005 . 1 . . . . 58 ILE H . 15635 1 691 . 1 1 60 60 ILE HA H 1 3.325 0.020 . 1 . . . . 58 ILE HA . 15635 1 692 . 1 1 60 60 ILE HB H 1 1.757 0.020 . 1 . . . . 58 ILE HB . 15635 1 693 . 1 1 60 60 ILE HD11 H 1 0.548 0.020 . 1 . . . . 58 ILE QD1 . 15635 1 694 . 1 1 60 60 ILE HD12 H 1 0.548 0.020 . 1 . . . . 58 ILE QD1 . 15635 1 695 . 1 1 60 60 ILE HD13 H 1 0.548 0.020 . 1 . . . . 58 ILE QD1 . 15635 1 696 . 1 1 60 60 ILE HG12 H 1 -0.380 0.020 . 2 . . . . 58 ILE HG12 . 15635 1 697 . 1 1 60 60 ILE HG13 H 1 0.144 0.020 . 2 . . . . 58 ILE HG13 . 15635 1 698 . 1 1 60 60 ILE HG21 H 1 0.544 0.020 . 1 . . . . 58 ILE QG2 . 15635 1 699 . 1 1 60 60 ILE HG22 H 1 0.544 0.020 . 1 . . . . 58 ILE QG2 . 15635 1 700 . 1 1 60 60 ILE HG23 H 1 0.544 0.020 . 1 . . . . 58 ILE QG2 . 15635 1 701 . 1 1 60 60 ILE C C 13 177.726 0.1 . 1 . . . . 58 ILE C . 15635 1 702 . 1 1 60 60 ILE CA C 13 64.314 0.1 . 1 . . . . 58 ILE CA . 15635 1 703 . 1 1 60 60 ILE CB C 13 35.897 0.1 . 1 . . . . 58 ILE CB . 15635 1 704 . 1 1 60 60 ILE CD1 C 13 16.953 0.1 . 1 . . . . 58 ILE CD1 . 15635 1 705 . 1 1 60 60 ILE CG1 C 13 26.986 0.1 . 1 . . . . 58 ILE CG1 . 15635 1 706 . 1 1 60 60 ILE CG2 C 13 17.277 0.1 . 1 . . . . 58 ILE CG2 . 15635 1 707 . 1 1 60 60 ILE N N 15 124.379 0.1 . 1 . . . . 58 ILE N . 15635 1 708 . 1 1 61 61 GLN H H 1 7.624 0.004 . 1 . . . . 59 GLN H . 15635 1 709 . 1 1 61 61 GLN HA H 1 3.755 0.020 . 1 . . . . 59 GLN HA . 15635 1 710 . 1 1 61 61 GLN HB2 H 1 2.264 0.020 . 2 . . . . 59 GLN HB2 . 15635 1 711 . 1 1 61 61 GLN HB3 H 1 2.220 0.020 . 2 . . . . 59 GLN HB3 . 15635 1 712 . 1 1 61 61 GLN HE21 H 1 7.078 0.020 . 2 . . . . 59 GLN HE21 . 15635 1 713 . 1 1 61 61 GLN HE22 H 1 7.925 0.004 . 2 . . . . 59 GLN HE22 . 15635 1 714 . 1 1 61 61 GLN HG2 H 1 2.389 0.020 . 2 . . . . 59 GLN HG2 . 15635 1 715 . 1 1 61 61 GLN HG3 H 1 2.389 0.020 . 2 . . . . 59 GLN HG3 . 15635 1 716 . 1 1 61 61 GLN C C 13 178.434 0.1 . 1 . . . . 59 GLN C . 15635 1 717 . 1 1 61 61 GLN CA C 13 59.379 0.1 . 1 . . . . 59 GLN CA . 15635 1 718 . 1 1 61 61 GLN CB C 13 28.602 0.1 . 1 . . . . 59 GLN CB . 15635 1 719 . 1 1 61 61 GLN CG C 13 34.102 0.1 . 1 . . . . 59 GLN CG . 15635 1 720 . 1 1 61 61 GLN N N 15 119.070 0.1 . 1 . . . . 59 GLN N . 15635 1 721 . 1 1 61 61 GLN NE2 N 15 115.396 0.005 . 1 . . . . 59 GLN NE2 . 15635 1 722 . 1 1 62 62 GLU H H 1 8.064 0.001 . 1 . . . . 60 GLU H . 15635 1 723 . 1 1 62 62 GLU HA H 1 4.087 0.020 . 1 . . . . 60 GLU HA . 15635 1 724 . 1 1 62 62 GLU HB2 H 1 2.120 0.020 . 2 . . . . 60 GLU HB2 . 15635 1 725 . 1 1 62 62 GLU HB3 H 1 2.257 0.020 . 2 . . . . 60 GLU HB3 . 15635 1 726 . 1 1 62 62 GLU HG2 H 1 2.540 0.020 . 2 . . . . 60 GLU HG2 . 15635 1 727 . 1 1 62 62 GLU HG3 H 1 2.299 0.020 . 2 . . . . 60 GLU HG3 . 15635 1 728 . 1 1 62 62 GLU C C 13 179.051 0.1 . 1 . . . . 60 GLU C . 15635 1 729 . 1 1 62 62 GLU CA C 13 59.659 0.1 . 1 . . . . 60 GLU CA . 15635 1 730 . 1 1 62 62 GLU CB C 13 30.457 0.1 . 1 . . . . 60 GLU CB . 15635 1 731 . 1 1 62 62 GLU CG C 13 37.308 0.1 . 1 . . . . 60 GLU CG . 15635 1 732 . 1 1 62 62 GLU N N 15 117.166 0.1 . 1 . . . . 60 GLU N . 15635 1 733 . 1 1 63 63 TYR H H 1 7.924 0.006 . 1 . . . . 61 TYR H . 15635 1 734 . 1 1 63 63 TYR HA H 1 4.254 0.020 . 1 . . . . 61 TYR HA . 15635 1 735 . 1 1 63 63 TYR HB2 H 1 3.313 0.020 . 2 . . . . 61 TYR HB2 . 15635 1 736 . 1 1 63 63 TYR HB3 H 1 3.445 0.001 . 2 . . . . 61 TYR HB3 . 15635 1 737 . 1 1 63 63 TYR HD1 H 1 7.173 0.006 . 1 . . . . 61 TYR HD1 . 15635 1 738 . 1 1 63 63 TYR HD2 H 1 7.173 0.006 . 1 . . . . 61 TYR HD2 . 15635 1 739 . 1 1 63 63 TYR HE1 H 1 6.831 0.020 . 1 . . . . 61 TYR HE1 . 15635 1 740 . 1 1 63 63 TYR HE2 H 1 6.831 0.020 . 1 . . . . 61 TYR HE2 . 15635 1 741 . 1 1 63 63 TYR C C 13 178.617 0.1 . 1 . . . . 61 TYR C . 15635 1 742 . 1 1 63 63 TYR CA C 13 61.184 0.1 . 1 . . . . 61 TYR CA . 15635 1 743 . 1 1 63 63 TYR CB C 13 39.461 0.1 . 1 . . . . 61 TYR CB . 15635 1 744 . 1 1 63 63 TYR CD1 C 13 133.083 0.1 . 1 . . . . 61 TYR CD1 . 15635 1 745 . 1 1 63 63 TYR CE1 C 13 118.070 0.1 . 1 . . . . 61 TYR CE1 . 15635 1 746 . 1 1 63 63 TYR N N 15 121.271 0.1 . 1 . . . . 61 TYR N . 15635 1 747 . 1 1 64 64 LEU H H 1 8.260 0.005 . 1 . . . . 62 LEU H . 15635 1 748 . 1 1 64 64 LEU HA H 1 3.966 0.020 . 1 . . . . 62 LEU HA . 15635 1 749 . 1 1 64 64 LEU HB2 H 1 1.964 0.020 . 2 . . . . 62 LEU HB2 . 15635 1 750 . 1 1 64 64 LEU HB3 H 1 1.231 0.020 . 2 . . . . 62 LEU HB3 . 15635 1 751 . 1 1 64 64 LEU HD11 H 1 0.710 0.020 . 2 . . . . 62 LEU QD1 . 15635 1 752 . 1 1 64 64 LEU HD12 H 1 0.710 0.020 . 2 . . . . 62 LEU QD1 . 15635 1 753 . 1 1 64 64 LEU HD13 H 1 0.710 0.020 . 2 . . . . 62 LEU QD1 . 15635 1 754 . 1 1 64 64 LEU HD21 H 1 0.763 0.020 . 2 . . . . 62 LEU QD2 . 15635 1 755 . 1 1 64 64 LEU HD22 H 1 0.763 0.020 . 2 . . . . 62 LEU QD2 . 15635 1 756 . 1 1 64 64 LEU HD23 H 1 0.763 0.020 . 2 . . . . 62 LEU QD2 . 15635 1 757 . 1 1 64 64 LEU HG H 1 1.942 0.020 . 1 . . . . 62 LEU HG . 15635 1 758 . 1 1 64 64 LEU C C 13 179.553 0.1 . 1 . . . . 62 LEU C . 15635 1 759 . 1 1 64 64 LEU CA C 13 58.014 0.1 . 1 . . . . 62 LEU CA . 15635 1 760 . 1 1 64 64 LEU CB C 13 42.397 0.1 . 1 . . . . 62 LEU CB . 15635 1 761 . 1 1 64 64 LEU CD1 C 13 26.604 0.1 . 1 . . . . 62 LEU CD1 . 15635 1 762 . 1 1 64 64 LEU CD2 C 13 23.313 0.1 . 1 . . . . 62 LEU CD2 . 15635 1 763 . 1 1 64 64 LEU CG C 13 26.984 0.1 . 1 . . . . 62 LEU CG . 15635 1 764 . 1 1 64 64 LEU N N 15 116.299 0.1 . 1 . . . . 62 LEU N . 15635 1 765 . 1 1 65 65 GLU H H 1 8.454 0.002 . 1 . . . . 63 GLU H . 15635 1 766 . 1 1 65 65 GLU HA H 1 3.854 0.002 . 1 . . . . 63 GLU HA . 15635 1 767 . 1 1 65 65 GLU HB2 H 1 2.252 0.020 . 2 . . . . 63 GLU HB2 . 15635 1 768 . 1 1 65 65 GLU HB3 H 1 2.092 0.020 . 2 . . . . 63 GLU HB3 . 15635 1 769 . 1 1 65 65 GLU HG2 H 1 2.483 0.020 . 2 . . . . 63 GLU HG2 . 15635 1 770 . 1 1 65 65 GLU HG3 H 1 2.268 0.004 . 2 . . . . 63 GLU HG3 . 15635 1 771 . 1 1 65 65 GLU C C 13 179.279 0.1 . 1 . . . . 63 GLU C . 15635 1 772 . 1 1 65 65 GLU CA C 13 60.301 0.1 . 1 . . . . 63 GLU CA . 15635 1 773 . 1 1 65 65 GLU CB C 13 29.870 0.1 . 1 . . . . 63 GLU CB . 15635 1 774 . 1 1 65 65 GLU CG C 13 37.406 0.1 . 1 . . . . 63 GLU CG . 15635 1 775 . 1 1 65 65 GLU N N 15 118.616 0.1 . 1 . . . . 63 GLU N . 15635 1 776 . 1 1 66 66 LYS H H 1 7.575 0.020 . 1 . . . . 64 LYS H . 15635 1 777 . 1 1 66 66 LYS HA H 1 4.225 0.002 . 1 . . . . 64 LYS HA . 15635 1 778 . 1 1 66 66 LYS HB2 H 1 1.944 0.020 . 2 . . . . 64 LYS HB2 . 15635 1 779 . 1 1 66 66 LYS HB3 H 1 2.017 0.001 . 2 . . . . 64 LYS HB3 . 15635 1 780 . 1 1 66 66 LYS HD2 H 1 1.697 0.020 . 2 . . . . 64 LYS HD2 . 15635 1 781 . 1 1 66 66 LYS HD3 H 1 1.697 0.020 . 2 . . . . 64 LYS HD3 . 15635 1 782 . 1 1 66 66 LYS HE2 H 1 3.006 0.004 . 2 . . . . 64 LYS HE2 . 15635 1 783 . 1 1 66 66 LYS HE3 H 1 3.006 0.004 . 2 . . . . 64 LYS HE3 . 15635 1 784 . 1 1 66 66 LYS HG2 H 1 1.641 0.020 . 2 . . . . 64 LYS HG2 . 15635 1 785 . 1 1 66 66 LYS HG3 H 1 1.600 0.020 . 2 . . . . 64 LYS HG3 . 15635 1 786 . 1 1 66 66 LYS C C 13 178.457 0.1 . 1 . . . . 64 LYS C . 15635 1 787 . 1 1 66 66 LYS CA C 13 58.496 0.1 . 1 . . . . 64 LYS CA . 15635 1 788 . 1 1 66 66 LYS CB C 13 32.400 0.1 . 1 . . . . 64 LYS CB . 15635 1 789 . 1 1 66 66 LYS CD C 13 29.249 0.1 . 1 . . . . 64 LYS CD . 15635 1 790 . 1 1 66 66 LYS CE C 13 42.838 0.1 . 1 . . . . 64 LYS CE . 15635 1 791 . 1 1 66 66 LYS CG C 13 25.336 0.1 . 1 . . . . 64 LYS CG . 15635 1 792 . 1 1 66 66 LYS N N 15 117.166 0.1 . 1 . . . . 64 LYS N . 15635 1 793 . 1 1 67 67 CYS H H 1 7.918 0.005 . 1 . . . . 65 CYS H . 15635 1 794 . 1 1 67 67 CYS HA H 1 4.526 0.020 . 1 . . . . 65 CYS HA . 15635 1 795 . 1 1 67 67 CYS HB2 H 1 3.100 0.002 . 2 . . . . 65 CYS HB2 . 15635 1 796 . 1 1 67 67 CYS HB3 H 1 3.001 0.020 . 2 . . . . 65 CYS HB3 . 15635 1 797 . 1 1 67 67 CYS C C 13 174.893 0.1 . 1 . . . . 65 CYS C . 15635 1 798 . 1 1 67 67 CYS CA C 13 56.329 0.1 . 1 . . . . 65 CYS CA . 15635 1 799 . 1 1 67 67 CYS CB C 13 45.235 0.1 . 1 . . . . 65 CYS CB . 15635 1 800 . 1 1 67 67 CYS N N 15 115.330 0.1 . 1 . . . . 65 CYS N . 15635 1 801 . 1 1 68 68 LEU H H 1 7.559 0.002 . 1 . . . . 66 LEU H . 15635 1 802 . 1 1 68 68 LEU HA H 1 4.491 0.001 . 1 . . . . 66 LEU HA . 15635 1 803 . 1 1 68 68 LEU HB2 H 1 1.742 0.020 . 2 . . . . 66 LEU HB2 . 15635 1 804 . 1 1 68 68 LEU HB3 H 1 1.595 0.020 . 2 . . . . 66 LEU HB3 . 15635 1 805 . 1 1 68 68 LEU HD11 H 1 0.873 0.020 . 2 . . . . 66 LEU QD1 . 15635 1 806 . 1 1 68 68 LEU HD12 H 1 0.873 0.020 . 2 . . . . 66 LEU QD1 . 15635 1 807 . 1 1 68 68 LEU HD13 H 1 0.873 0.020 . 2 . . . . 66 LEU QD1 . 15635 1 808 . 1 1 68 68 LEU HD21 H 1 0.867 0.020 . 2 . . . . 66 LEU QD2 . 15635 1 809 . 1 1 68 68 LEU HD22 H 1 0.867 0.020 . 2 . . . . 66 LEU QD2 . 15635 1 810 . 1 1 68 68 LEU HD23 H 1 0.867 0.020 . 2 . . . . 66 LEU QD2 . 15635 1 811 . 1 1 68 68 LEU HG H 1 1.700 0.020 . 1 . . . . 66 LEU HG . 15635 1 812 . 1 1 68 68 LEU C C 13 176.812 0.1 . 1 . . . . 66 LEU C . 15635 1 813 . 1 1 68 68 LEU CA C 13 55.366 0.1 . 1 . . . . 66 LEU CA . 15635 1 814 . 1 1 68 68 LEU CB C 13 43.278 0.1 . 1 . . . . 66 LEU CB . 15635 1 815 . 1 1 68 68 LEU CD1 C 13 26.013 0.1 . 1 . . . . 66 LEU CD1 . 15635 1 816 . 1 1 68 68 LEU CD2 C 13 23.998 0.1 . 1 . . . . 66 LEU CD2 . 15635 1 817 . 1 1 68 68 LEU CG C 13 27.307 0.1 . 1 . . . . 66 LEU CG . 15635 1 818 . 1 1 68 68 LEU N N 15 120.930 0.1 . 1 . . . . 66 LEU N . 15635 1 819 . 1 1 69 69 ASN H H 1 8.265 0.001 . 1 . . . . 67 ASN H . 15635 1 820 . 1 1 69 69 ASN HA H 1 4.669 0.020 . 1 . . . . 67 ASN HA . 15635 1 821 . 1 1 69 69 ASN HB2 H 1 2.859 0.020 . 2 . . . . 67 ASN HB2 . 15635 1 822 . 1 1 69 69 ASN HB3 H 1 2.609 0.020 . 2 . . . . 67 ASN HB3 . 15635 1 823 . 1 1 69 69 ASN HD21 H 1 7.554 0.020 . 2 . . . . 67 ASN HD21 . 15635 1 824 . 1 1 69 69 ASN HD22 H 1 6.813 0.020 . 2 . . . . 67 ASN HD22 . 15635 1 825 . 1 1 69 69 ASN CA C 13 53.761 0.1 . 1 . . . . 67 ASN CA . 15635 1 826 . 1 1 69 69 ASN CB C 13 39.069 0.1 . 1 . . . . 67 ASN CB . 15635 1 827 . 1 1 69 69 ASN N N 15 120.279 0.1 . 1 . . . . 67 ASN N . 15635 1 828 . 1 1 69 69 ASN ND2 N 15 111.986 0.1 . 1 . . . . 67 ASN ND2 . 15635 1 829 . 1 1 70 70 LYS H H 1 7.841 0.004 . 1 . . . . 68 LYS H . 15635 1 830 . 1 1 70 70 LYS HA H 1 4.175 0.020 . 1 . . . . 68 LYS HA . 15635 1 831 . 1 1 70 70 LYS HB2 H 1 1.849 0.020 . 2 . . . . 68 LYS HB2 . 15635 1 832 . 1 1 70 70 LYS HB3 H 1 1.704 0.020 . 2 . . . . 68 LYS HB3 . 15635 1 833 . 1 1 70 70 LYS HD2 H 1 1.689 0.020 . 2 . . . . 68 LYS HD2 . 15635 1 834 . 1 1 70 70 LYS HD3 H 1 1.689 0.020 . 2 . . . . 68 LYS HD3 . 15635 1 835 . 1 1 70 70 LYS HE2 H 1 3.035 0.003 . 2 . . . . 68 LYS HE2 . 15635 1 836 . 1 1 70 70 LYS HE3 H 1 3.035 0.003 . 2 . . . . 68 LYS HE3 . 15635 1 837 . 1 1 70 70 LYS HG2 H 1 1.400 0.020 . 2 . . . . 68 LYS HG2 . 15635 1 838 . 1 1 70 70 LYS HG3 H 1 1.400 0.020 . 2 . . . . 68 LYS HG3 . 15635 1 839 . 1 1 70 70 LYS CA C 13 57.722 0.1 . 1 . . . . 68 LYS CA . 15635 1 840 . 1 1 70 70 LYS CB C 13 34.102 0.1 . 1 . . . . 68 LYS CB . 15635 1 841 . 1 1 70 70 LYS CD C 13 29.572 0.1 . 1 . . . . 68 LYS CD . 15635 1 842 . 1 1 70 70 LYS CG C 13 25.042 0.1 . 1 . . . . 68 LYS CG . 15635 1 843 . 1 1 70 70 LYS N N 15 127.034 0.1 . 1 . . . . 68 LYS N . 15635 1 844 . 2 2 3 3 MET HA H 1 4.492 0.020 . 1 . . . . 101 MET HA . 15635 1 845 . 2 2 3 3 MET HB2 H 1 2.157 0.020 . 2 . . . . 101 MET HB2 . 15635 1 846 . 2 2 3 3 MET HB3 H 1 2.047 0.020 . 2 . . . . 101 MET HB3 . 15635 1 847 . 2 2 3 3 MET HG2 H 1 2.656 0.002 . 2 . . . . 101 MET HG2 . 15635 1 848 . 2 2 3 3 MET HG3 H 1 2.575 0.020 . 2 . . . . 101 MET HG3 . 15635 1 849 . 2 2 3 3 MET C C 13 176.332 0.1 . 1 . . . . 101 MET C . 15635 1 850 . 2 2 3 3 MET CA C 13 55.902 0.1 . 1 . . . . 101 MET CA . 15635 1 851 . 2 2 3 3 MET CB C 13 33.026 0.1 . 1 . . . . 101 MET CB . 15635 1 852 . 2 2 4 4 GLU H H 1 8.342 0.020 . 1 . . . . 102 GLU H . 15635 1 853 . 2 2 4 4 GLU HA H 1 4.282 0.020 . 1 . . . . 102 GLU HA . 15635 1 854 . 2 2 4 4 GLU HB2 H 1 2.088 0.020 . 2 . . . . 102 GLU HB2 . 15635 1 855 . 2 2 4 4 GLU HB3 H 1 1.986 0.003 . 2 . . . . 102 GLU HB3 . 15635 1 856 . 2 2 4 4 GLU HG2 H 1 2.293 0.001 . 2 . . . . 102 GLU HG2 . 15635 1 857 . 2 2 4 4 GLU HG3 H 1 2.293 0.001 . 2 . . . . 102 GLU HG3 . 15635 1 858 . 2 2 4 4 GLU C C 13 177.132 0.1 . 1 . . . . 102 GLU C . 15635 1 859 . 2 2 4 4 GLU CA C 13 57.410 0.1 . 1 . . . . 102 GLU CA . 15635 1 860 . 2 2 4 4 GLU CG C 13 36.797 0.1 . 1 . . . . 102 GLU CG . 15635 1 861 . 2 2 4 4 GLU N N 15 121.884 0.1 . 1 . . . . 102 GLU N . 15635 1 862 . 2 2 5 5 GLY H H 1 8.331 0.003 . 1 . . . . 103 GLY H . 15635 1 863 . 2 2 5 5 GLY HA2 H 1 3.960 0.020 . 2 . . . . 103 GLY HA2 . 15635 1 864 . 2 2 5 5 GLY HA3 H 1 3.960 0.020 . 2 . . . . 103 GLY HA3 . 15635 1 865 . 2 2 5 5 GLY C C 13 174.207 0.1 . 1 . . . . 103 GLY C . 15635 1 866 . 2 2 5 5 GLY CA C 13 45.731 0.1 . 1 . . . . 103 GLY CA . 15635 1 867 . 2 2 5 5 GLY N N 15 110.055 0.1 . 1 . . . . 103 GLY N . 15635 1 868 . 2 2 6 6 ILE H H 1 7.831 0.002 . 1 . . . . 104 ILE H . 15635 1 869 . 2 2 6 6 ILE HA H 1 4.286 0.020 . 1 . . . . 104 ILE HA . 15635 1 870 . 2 2 6 6 ILE HB H 1 1.912 0.020 . 1 . . . . 104 ILE HB . 15635 1 871 . 2 2 6 6 ILE HD11 H 1 0.867 0.020 . 1 . . . . 104 ILE QD1 . 15635 1 872 . 2 2 6 6 ILE HD12 H 1 0.867 0.020 . 1 . . . . 104 ILE QD1 . 15635 1 873 . 2 2 6 6 ILE HD13 H 1 0.867 0.020 . 1 . . . . 104 ILE QD1 . 15635 1 874 . 2 2 6 6 ILE HG12 H 1 1.455 0.020 . 2 . . . . 104 ILE HG12 . 15635 1 875 . 2 2 6 6 ILE HG13 H 1 1.191 0.020 . 2 . . . . 104 ILE HG13 . 15635 1 876 . 2 2 6 6 ILE HG21 H 1 0.923 0.020 . 1 . . . . 104 ILE QG2 . 15635 1 877 . 2 2 6 6 ILE HG22 H 1 0.923 0.020 . 1 . . . . 104 ILE QG2 . 15635 1 878 . 2 2 6 6 ILE HG23 H 1 0.923 0.020 . 1 . . . . 104 ILE QG2 . 15635 1 879 . 2 2 6 6 ILE C C 13 176.401 0.1 . 1 . . . . 104 ILE C . 15635 1 880 . 2 2 6 6 ILE CA C 13 61.558 0.1 . 1 . . . . 104 ILE CA . 15635 1 881 . 2 2 6 6 ILE CB C 13 39.436 0.1 . 1 . . . . 104 ILE CB . 15635 1 882 . 2 2 6 6 ILE CD1 C 13 13.418 0.1 . 1 . . . . 104 ILE CD1 . 15635 1 883 . 2 2 6 6 ILE CG1 C 13 27.496 0.1 . 1 . . . . 104 ILE CG1 . 15635 1 884 . 2 2 6 6 ILE CG2 C 13 18.069 0.1 . 1 . . . . 104 ILE CG2 . 15635 1 885 . 2 2 6 6 ILE N N 15 119.606 0.1 . 1 . . . . 104 ILE N . 15635 1 886 . 2 2 7 7 SER H H 1 8.350 0.020 . 1 . . . . 105 SER H . 15635 1 887 . 2 2 7 7 SER HA H 1 4.545 0.020 . 1 . . . . 105 SER HA . 15635 1 888 . 2 2 7 7 SER HB2 H 1 3.877 0.020 . 2 . . . . 105 SER HB2 . 15635 1 889 . 2 2 7 7 SER HB3 H 1 3.836 0.020 . 2 . . . . 105 SER HB3 . 15635 1 890 . 2 2 7 7 SER C C 13 174.550 0.1 . 1 . . . . 105 SER C . 15635 1 891 . 2 2 7 7 SER CA C 13 58.667 0.1 . 1 . . . . 105 SER CA . 15635 1 892 . 2 2 7 7 SER CB C 13 64.072 0.1 . 1 . . . . 105 SER CB . 15635 1 893 . 2 2 7 7 SER N N 15 119.853 0.1 . 1 . . . . 105 SER N . 15635 1 894 . 2 2 8 8 ILE H H 1 7.921 0.002 . 1 . . . . 106 ILE H . 15635 1 895 . 2 2 8 8 ILE HA H 1 4.205 0.020 . 1 . . . . 106 ILE HA . 15635 1 896 . 2 2 8 8 ILE HB H 1 1.805 0.020 . 1 . . . . 106 ILE HB . 15635 1 897 . 2 2 8 8 ILE HD11 H 1 0.798 0.020 . 1 . . . . 106 ILE QD1 . 15635 1 898 . 2 2 8 8 ILE HD12 H 1 0.798 0.020 . 1 . . . . 106 ILE QD1 . 15635 1 899 . 2 2 8 8 ILE HD13 H 1 0.798 0.020 . 1 . . . . 106 ILE QD1 . 15635 1 900 . 2 2 8 8 ILE HG12 H 1 1.220 0.020 . 2 . . . . 106 ILE HG12 . 15635 1 901 . 2 2 8 8 ILE HG13 H 1 1.077 0.020 . 2 . . . . 106 ILE HG13 . 15635 1 902 . 2 2 8 8 ILE HG21 H 1 0.804 0.020 . 1 . . . . 106 ILE QG2 . 15635 1 903 . 2 2 8 8 ILE HG22 H 1 0.804 0.020 . 1 . . . . 106 ILE QG2 . 15635 1 904 . 2 2 8 8 ILE HG23 H 1 0.804 0.020 . 1 . . . . 106 ILE QG2 . 15635 1 905 . 2 2 8 8 ILE C C 13 175.921 0.1 . 1 . . . . 106 ILE C . 15635 1 906 . 2 2 8 8 ILE CA C 13 61.935 0.1 . 1 . . . . 106 ILE CA . 15635 1 907 . 2 2 8 8 ILE CB C 13 39.436 0.1 . 1 . . . . 106 ILE CB . 15635 1 908 . 2 2 8 8 ILE CD1 C 13 13.418 0.1 . 1 . . . . 106 ILE CD1 . 15635 1 909 . 2 2 8 8 ILE CG1 C 13 27.370 0.1 . 1 . . . . 106 ILE CG1 . 15635 1 910 . 2 2 8 8 ILE CG2 C 13 18.069 0.1 . 1 . . . . 106 ILE CG2 . 15635 1 911 . 2 2 8 8 ILE N N 15 121.730 0.1 . 1 . . . . 106 ILE N . 15635 1 912 . 2 2 9 9 TYR H H 1 8.166 0.009 . 1 . . . . 107 TYR H . 15635 1 913 . 2 2 9 9 TYR HA H 1 4.713 0.020 . 1 . . . . 107 TYR HA . 15635 1 914 . 2 2 9 9 TYR HB2 H 1 2.920 0.020 . 2 . . . . 107 TYR HB2 . 15635 1 915 . 2 2 9 9 TYR HB3 H 1 3.089 0.020 . 2 . . . . 107 TYR HB3 . 15635 1 916 . 2 2 9 9 TYR HD1 H 1 7.114 0.014 . 1 . . . . 107 TYR HD1 . 15635 1 917 . 2 2 9 9 TYR HD2 H 1 7.114 0.014 . 1 . . . . 107 TYR HD2 . 15635 1 918 . 2 2 9 9 TYR HE1 H 1 6.824 0.020 . 1 . . . . 107 TYR HE1 . 15635 1 919 . 2 2 9 9 TYR HE2 H 1 6.824 0.020 . 1 . . . . 107 TYR HE2 . 15635 1 920 . 2 2 9 9 TYR C C 13 176.058 0.1 . 1 . . . . 107 TYR C . 15635 1 921 . 2 2 9 9 TYR CA C 13 58.165 0.1 . 1 . . . . 107 TYR CA . 15635 1 922 . 2 2 9 9 TYR CB C 13 39.436 0.1 . 1 . . . . 107 TYR CB . 15635 1 923 . 2 2 9 9 TYR CD1 C 13 133.344 0.1 . 1 . . . . 107 TYR CD1 . 15635 1 924 . 2 2 9 9 TYR CE1 C 13 118.588 0.1 . 1 . . . . 107 TYR CE1 . 15635 1 925 . 2 2 9 9 TYR N N 15 123.598 0.1 . 1 . . . . 107 TYR N . 15635 1 926 . 2 2 10 10 THR H H 1 7.961 0.020 . 1 . . . . 108 THR H . 15635 1 927 . 2 2 10 10 THR HA H 1 4.433 0.020 . 1 . . . . 108 THR HA . 15635 1 928 . 2 2 10 10 THR HB H 1 4.283 0.020 . 1 . . . . 108 THR HB . 15635 1 929 . 2 2 10 10 THR HG21 H 1 1.205 0.020 . 1 . . . . 108 THR QG2 . 15635 1 930 . 2 2 10 10 THR HG22 H 1 1.205 0.020 . 1 . . . . 108 THR QG2 . 15635 1 931 . 2 2 10 10 THR HG23 H 1 1.205 0.020 . 1 . . . . 108 THR QG2 . 15635 1 932 . 2 2 10 10 THR C C 13 174.459 0.1 . 1 . . . . 108 THR C . 15635 1 933 . 2 2 10 10 THR CA C 13 62.061 0.1 . 1 . . . . 108 THR CA . 15635 1 934 . 2 2 10 10 THR CB C 13 70.608 0.1 . 1 . . . . 108 THR CB . 15635 1 935 . 2 2 10 10 THR CG2 C 13 21.965 0.1 . 1 . . . . 108 THR CG2 . 15635 1 936 . 2 2 10 10 THR N N 15 115.642 0.1 . 1 . . . . 108 THR N . 15635 1 937 . 2 2 11 11 SER H H 1 8.211 0.020 . 1 . . . . 109 SER H . 15635 1 938 . 2 2 11 11 SER HA H 1 4.507 0.020 . 1 . . . . 109 SER HA . 15635 1 939 . 2 2 11 11 SER HB2 H 1 3.953 0.020 . 2 . . . . 109 SER HB2 . 15635 1 940 . 2 2 11 11 SER HB3 H 1 3.909 0.020 . 2 . . . . 109 SER HB3 . 15635 1 941 . 2 2 11 11 SER C C 13 174.504 0.1 . 1 . . . . 109 SER C . 15635 1 942 . 2 2 11 11 SER CA C 13 58.919 0.1 . 1 . . . . 109 SER CA . 15635 1 943 . 2 2 11 11 SER CB C 13 64.198 0.1 . 1 . . . . 109 SER CB . 15635 1 944 . 2 2 11 11 SER N N 15 117.260 0.1 . 1 . . . . 109 SER N . 15635 1 945 . 2 2 12 12 ASP H H 1 8.351 0.020 . 1 . . . . 110 ASP H . 15635 1 946 . 2 2 12 12 ASP HA H 1 4.631 0.020 . 1 . . . . 110 ASP HA . 15635 1 947 . 2 2 12 12 ASP HB2 H 1 2.704 0.020 . 2 . . . . 110 ASP HB2 . 15635 1 948 . 2 2 12 12 ASP HB3 H 1 2.657 0.020 . 2 . . . . 110 ASP HB3 . 15635 1 949 . 2 2 12 12 ASP C C 13 176.058 0.1 . 1 . . . . 110 ASP C . 15635 1 950 . 2 2 12 12 ASP CA C 13 55.022 0.1 . 1 . . . . 110 ASP CA . 15635 1 951 . 2 2 12 12 ASP CB C 13 41.825 0.1 . 1 . . . . 110 ASP CB . 15635 1 952 . 2 2 12 12 ASP N N 15 122.020 0.1 . 1 . . . . 110 ASP N . 15635 1 953 . 2 2 13 13 ASN H H 1 8.230 0.020 . 1 . . . . 111 ASN H . 15635 1 954 . 2 2 13 13 ASN HA H 1 4.726 0.020 . 1 . . . . 111 ASN HA . 15635 1 955 . 2 2 13 13 ASN HB2 H 1 2.842 0.020 . 2 . . . . 111 ASN HB2 . 15635 1 956 . 2 2 13 13 ASN HB3 H 1 2.707 0.020 . 2 . . . . 111 ASN HB3 . 15635 1 957 . 2 2 13 13 ASN C C 13 175.030 0.1 . 1 . . . . 111 ASN C . 15635 1 958 . 2 2 13 13 ASN CA C 13 53.765 0.1 . 1 . . . . 111 ASN CA . 15635 1 959 . 2 2 13 13 ASN CB C 13 39.562 0.1 . 1 . . . . 111 ASN CB . 15635 1 960 . 2 2 13 13 ASN N N 15 118.317 0.1 . 1 . . . . 111 ASN N . 15635 1 961 . 2 2 14 14 TYR H H 1 8.101 0.020 . 1 . . . . 112 TYR H . 15635 1 962 . 2 2 14 14 TYR HA H 1 4.638 0.020 . 1 . . . . 112 TYR HA . 15635 1 963 . 2 2 14 14 TYR HB2 H 1 3.038 0.020 . 2 . . . . 112 TYR HB2 . 15635 1 964 . 2 2 14 14 TYR HB3 H 1 3.062 0.020 . 2 . . . . 112 TYR HB3 . 15635 1 965 . 2 2 14 14 TYR HD1 H 1 7.110 0.012 . 1 . . . . 112 TYR HD1 . 15635 1 966 . 2 2 14 14 TYR HD2 H 1 7.110 0.012 . 1 . . . . 112 TYR HD2 . 15635 1 967 . 2 2 14 14 TYR HE1 H 1 6.820 0.009 . 1 . . . . 112 TYR HE1 . 15635 1 968 . 2 2 14 14 TYR HE2 H 1 6.820 0.009 . 1 . . . . 112 TYR HE2 . 15635 1 969 . 2 2 14 14 TYR C C 13 176.081 0.1 . 1 . . . . 112 TYR C . 15635 1 970 . 2 2 14 14 TYR CA C 13 58.793 0.1 . 1 . . . . 112 TYR CA . 15635 1 971 . 2 2 14 14 TYR CB C 13 39.436 0.1 . 1 . . . . 112 TYR CB . 15635 1 972 . 2 2 14 14 TYR CD1 C 13 133.344 0.1 . 1 . . . . 112 TYR CD1 . 15635 1 973 . 2 2 14 14 TYR CE1 C 13 118.588 0.1 . 1 . . . . 112 TYR CE1 . 15635 1 974 . 2 2 14 14 TYR N N 15 120.850 0.1 . 1 . . . . 112 TYR N . 15635 1 975 . 2 2 15 15 THR H H 1 7.879 0.020 . 1 . . . . 113 THR H . 15635 1 976 . 2 2 15 15 THR HA H 1 4.284 0.020 . 1 . . . . 113 THR HA . 15635 1 977 . 2 2 15 15 THR HB H 1 4.218 0.020 . 1 . . . . 113 THR HB . 15635 1 978 . 2 2 15 15 THR HG21 H 1 1.177 0.020 . 1 . . . . 113 THR QG2 . 15635 1 979 . 2 2 15 15 THR HG22 H 1 1.177 0.020 . 1 . . . . 113 THR QG2 . 15635 1 980 . 2 2 15 15 THR HG23 H 1 1.177 0.020 . 1 . . . . 113 THR QG2 . 15635 1 981 . 2 2 15 15 THR C C 13 174.413 0.1 . 1 . . . . 113 THR C . 15635 1 982 . 2 2 15 15 THR CA C 13 62.187 0.1 . 1 . . . . 113 THR CA . 15635 1 983 . 2 2 15 15 THR CB C 13 70.341 0.1 . 1 . . . . 113 THR CB . 15635 1 984 . 2 2 15 15 THR CG2 C 13 21.965 0.1 . 1 . . . . 113 THR CG2 . 15635 1 985 . 2 2 15 15 THR N N 15 116.126 0.1 . 1 . . . . 113 THR N . 15635 1 986 . 2 2 16 16 GLU H H 1 8.253 0.020 . 1 . . . . 114 GLU H . 15635 1 987 . 2 2 16 16 GLU HA H 1 4.256 0.020 . 1 . . . . 114 GLU HA . 15635 1 988 . 2 2 16 16 GLU HB2 H 1 2.065 0.020 . 2 . . . . 114 GLU HB2 . 15635 1 989 . 2 2 16 16 GLU HB3 H 1 1.977 0.020 . 2 . . . . 114 GLU HB3 . 15635 1 990 . 2 2 16 16 GLU HG2 H 1 2.312 0.020 . 2 . . . . 114 GLU HG2 . 15635 1 991 . 2 2 16 16 GLU HG3 H 1 2.312 0.020 . 2 . . . . 114 GLU HG3 . 15635 1 992 . 2 2 16 16 GLU C C 13 176.766 0.1 . 1 . . . . 114 GLU C . 15635 1 993 . 2 2 16 16 GLU CA C 13 57.410 0.1 . 1 . . . . 114 GLU CA . 15635 1 994 . 2 2 16 16 GLU CB C 13 30.620 0.1 . 1 . . . . 114 GLU CB . 15635 1 995 . 2 2 16 16 GLU CG C 13 36.923 0.1 . 1 . . . . 114 GLU CG . 15635 1 996 . 2 2 16 16 GLU N N 15 123.052 0.1 . 1 . . . . 114 GLU N . 15635 1 997 . 2 2 17 17 GLU H H 1 8.331 0.020 . 1 . . . . 115 GLU H . 15635 1 998 . 2 2 17 17 GLU HA H 1 4.292 0.020 . 1 . . . . 115 GLU HA . 15635 1 999 . 2 2 17 17 GLU HB2 H 1 2.085 0.020 . 2 . . . . 115 GLU HB2 . 15635 1 1000 . 2 2 17 17 GLU HB3 H 1 1.979 0.020 . 2 . . . . 115 GLU HB3 . 15635 1 1001 . 2 2 17 17 GLU HG2 H 1 2.295 0.020 . 2 . . . . 115 GLU HG2 . 15635 1 1002 . 2 2 17 17 GLU HG3 H 1 2.295 0.020 . 2 . . . . 115 GLU HG3 . 15635 1 1003 . 2 2 17 17 GLU C C 13 176.880 0.1 . 1 . . . . 115 GLU C . 15635 1 1004 . 2 2 17 17 GLU CA C 13 57.410 0.1 . 1 . . . . 115 GLU CA . 15635 1 1005 . 2 2 17 17 GLU CB C 13 30.525 0.1 . 1 . . . . 115 GLU CB . 15635 1 1006 . 2 2 17 17 GLU CG C 13 36.923 0.1 . 1 . . . . 115 GLU CG . 15635 1 1007 . 2 2 17 17 GLU N N 15 121.688 0.1 . 1 . . . . 115 GLU N . 15635 1 1008 . 2 2 18 18 MET H H 1 8.317 0.020 . 1 . . . . 116 MET H . 15635 1 1009 . 2 2 18 18 MET HA H 1 4.490 0.020 . 1 . . . . 116 MET HA . 15635 1 1010 . 2 2 18 18 MET HB2 H 1 2.127 0.020 . 2 . . . . 116 MET HB2 . 15635 1 1011 . 2 2 18 18 MET HB3 H 1 2.046 0.020 . 2 . . . . 116 MET HB3 . 15635 1 1012 . 2 2 18 18 MET HG2 H 1 2.633 0.001 . 2 . . . . 116 MET HG2 . 15635 1 1013 . 2 2 18 18 MET HG3 H 1 2.546 0.020 . 2 . . . . 116 MET HG3 . 15635 1 1014 . 2 2 18 18 MET C C 13 177.086 0.1 . 1 . . . . 116 MET C . 15635 1 1015 . 2 2 18 18 MET CA C 13 56.279 0.1 . 1 . . . . 116 MET CA . 15635 1 1016 . 2 2 18 18 MET CB C 13 33.026 0.1 . 1 . . . . 116 MET CB . 15635 1 1017 . 2 2 18 18 MET N N 15 121.270 0.1 . 1 . . . . 116 MET N . 15635 1 1018 . 2 2 19 19 GLY H H 1 8.320 0.020 . 1 . . . . 117 GLY H . 15635 1 1019 . 2 2 19 19 GLY HA2 H 1 4.054 0.020 . 2 . . . . 117 GLY HA2 . 15635 1 1020 . 2 2 19 19 GLY HA3 H 1 4.054 0.020 . 2 . . . . 117 GLY HA3 . 15635 1 1021 . 2 2 19 19 GLY C C 13 174.481 0.1 . 1 . . . . 117 GLY C . 15635 1 1022 . 2 2 19 19 GLY CA C 13 45.847 0.1 . 1 . . . . 117 GLY CA . 15635 1 1023 . 2 2 19 19 GLY N N 15 110.055 0.1 . 1 . . . . 117 GLY N . 15635 1 1024 . 2 2 20 20 SER H H 1 8.230 0.020 . 1 . . . . 118 SER H . 15635 1 1025 . 2 2 20 20 SER HA H 1 4.476 0.020 . 1 . . . . 118 SER HA . 15635 1 1026 . 2 2 20 20 SER HB2 H 1 3.952 0.020 . 2 . . . . 118 SER HB2 . 15635 1 1027 . 2 2 20 20 SER HB3 H 1 3.893 0.020 . 2 . . . . 118 SER HB3 . 15635 1 1028 . 2 2 20 20 SER C C 13 175.327 0.1 . 1 . . . . 118 SER C . 15635 1 1029 . 2 2 20 20 SER CA C 13 58.919 0.1 . 1 . . . . 118 SER CA . 15635 1 1030 . 2 2 20 20 SER CB C 13 64.575 0.1 . 1 . . . . 118 SER CB . 15635 1 1031 . 2 2 20 20 SER N N 15 115.664 0.1 . 1 . . . . 118 SER N . 15635 1 1032 . 2 2 21 21 GLY H H 1 8.371 0.020 . 1 . . . . 119 GLY H . 15635 1 1033 . 2 2 21 21 GLY HA2 H 1 3.951 0.020 . 2 . . . . 119 GLY HA2 . 15635 1 1034 . 2 2 21 21 GLY HA3 H 1 3.951 0.020 . 2 . . . . 119 GLY HA3 . 15635 1 1035 . 2 2 21 21 GLY C C 13 174.002 0.1 . 1 . . . . 119 GLY C . 15635 1 1036 . 2 2 21 21 GLY CA C 13 45.721 0.1 . 1 . . . . 119 GLY CA . 15635 1 1037 . 2 2 21 21 GLY N N 15 110.872 0.1 . 1 . . . . 119 GLY N . 15635 1 1038 . 2 2 22 22 ASP H H 1 8.072 0.014 . 1 . . . . 120 ASP H . 15635 1 1039 . 2 2 22 22 ASP HA H 1 4.629 0.020 . 1 . . . . 120 ASP HA . 15635 1 1040 . 2 2 22 22 ASP HB2 H 1 2.659 0.001 . 2 . . . . 120 ASP HB2 . 15635 1 1041 . 2 2 22 22 ASP HB3 H 1 2.537 0.002 . 2 . . . . 120 ASP HB3 . 15635 1 1042 . 2 2 22 22 ASP C C 13 176.355 0.1 . 1 . . . . 120 ASP C . 15635 1 1043 . 2 2 22 22 ASP CA C 13 54.771 0.1 . 1 . . . . 120 ASP CA . 15635 1 1044 . 2 2 22 22 ASP CB C 13 41.699 0.1 . 1 . . . . 120 ASP CB . 15635 1 1045 . 2 2 22 22 ASP N N 15 120.530 0.1 . 1 . . . . 120 ASP N . 15635 1 1046 . 2 2 23 23 TYS H H 1 8.180 0.020 . 1 . . . . 121 TYS H . 15635 1 1047 . 2 2 23 23 TYS HA H 1 4.628 0.020 . 1 . . . . 121 TYS HA . 15635 1 1048 . 2 2 23 23 TYS HB2 H 1 3.049 0.020 . 2 . . . . 121 TYS HB2 . 15635 1 1049 . 2 2 23 23 TYS HB3 H 1 3.219 0.020 . 2 . . . . 121 TYS HB3 . 15635 1 1050 . 2 2 23 23 TYS HD1 H 1 7.261 0.020 . 1 . . . . 121 TYS HD1 . 15635 1 1051 . 2 2 23 23 TYS HD2 H 1 7.261 0.020 . 1 . . . . 121 TYS HD2 . 15635 1 1052 . 2 2 23 23 TYS HE1 H 1 7.260 0.020 . 1 . . . . 121 TYS HE1 . 15635 1 1053 . 2 2 23 23 TYS HE2 H 1 7.260 0.020 . 1 . . . . 121 TYS HE2 . 15635 1 1054 . 2 2 23 23 TYS C C 13 176.058 0.1 . 1 . . . . 121 TYS C . 15635 1 1055 . 2 2 23 23 TYS CA C 13 58.667 0.1 . 1 . . . . 121 TYS CA . 15635 1 1056 . 2 2 23 23 TYS CB C 13 39.311 0.1 . 1 . . . . 121 TYS CB . 15635 1 1057 . 2 2 23 23 TYS CD1 C 13 133.344 0.1 . 1 . . . . 121 TYS CD1 . 15635 1 1058 . 2 2 23 23 TYS CE1 C 13 124.540 0.1 . 1 . . . . 121 TYS CE1 . 15635 1 1059 . 2 2 23 23 TYS N N 15 120.283 0.1 . 1 . . . . 121 TYS N . 15635 1 1060 . 2 2 24 24 ASP H H 1 8.322 0.020 . 1 . . . . 122 ASP H . 15635 1 1061 . 2 2 24 24 ASP HA H 1 4.602 0.020 . 1 . . . . 122 ASP HA . 15635 1 1062 . 2 2 24 24 ASP HB2 H 1 2.665 0.020 . 2 . . . . 122 ASP HB2 . 15635 1 1063 . 2 2 24 24 ASP HB3 H 1 2.658 0.020 . 2 . . . . 122 ASP HB3 . 15635 1 1064 . 2 2 24 24 ASP C C 13 176.835 0.1 . 1 . . . . 122 ASP C . 15635 1 1065 . 2 2 24 24 ASP CA C 13 55.022 0.1 . 1 . . . . 122 ASP CA . 15635 1 1066 . 2 2 24 24 ASP CB C 13 41.825 0.1 . 1 . . . . 122 ASP CB . 15635 1 1067 . 2 2 24 24 ASP N N 15 121.417 0.1 . 1 . . . . 122 ASP N . 15635 1 1068 . 2 2 25 25 SER H H 1 8.155 0.020 . 1 . . . . 123 SER H . 15635 1 1069 . 2 2 25 25 SER HA H 1 4.404 0.020 . 1 . . . . 123 SER HA . 15635 1 1070 . 2 2 25 25 SER HB2 H 1 3.956 0.001 . 2 . . . . 123 SER HB2 . 15635 1 1071 . 2 2 25 25 SER HB3 H 1 3.925 0.002 . 2 . . . . 123 SER HB3 . 15635 1 1072 . 2 2 25 25 SER C C 13 175.075 0.1 . 1 . . . . 123 SER C . 15635 1 1073 . 2 2 25 25 SER CA C 13 59.347 0.1 . 1 . . . . 123 SER CA . 15635 1 1074 . 2 2 25 25 SER CB C 13 63.879 0.1 . 1 . . . . 123 SER CB . 15635 1 1075 . 2 2 25 25 SER N N 15 116.126 0.1 . 1 . . . . 123 SER N . 15635 1 1076 . 2 2 26 26 MET H H 1 8.221 0.020 . 1 . . . . 124 MET H . 15635 1 1077 . 2 2 26 26 MET HA H 1 4.482 0.020 . 1 . . . . 124 MET HA . 15635 1 1078 . 2 2 26 26 MET HB2 H 1 2.137 0.002 . 2 . . . . 124 MET HB2 . 15635 1 1079 . 2 2 26 26 MET HB3 H 1 2.063 0.001 . 2 . . . . 124 MET HB3 . 15635 1 1080 . 2 2 26 26 MET HG2 H 1 2.626 0.005 . 2 . . . . 124 MET HG2 . 15635 1 1081 . 2 2 26 26 MET HG3 H 1 2.553 0.006 . 2 . . . . 124 MET HG3 . 15635 1 1082 . 2 2 26 26 MET C C 13 176.355 0.1 . 1 . . . . 124 MET C . 15635 1 1083 . 2 2 26 26 MET CA C 13 56.279 0.1 . 1 . . . . 124 MET CA . 15635 1 1084 . 2 2 26 26 MET CB C 13 32.900 0.1 . 1 . . . . 124 MET CB . 15635 1 1085 . 2 2 26 26 MET CG C 13 32.900 0.1 . 1 . . . . 124 MET CG . 15635 1 1086 . 2 2 26 26 MET N N 15 121.210 0.1 . 1 . . . . 124 MET N . 15635 1 1087 . 2 2 27 27 LYS H H 1 8.036 0.020 . 1 . . . . 125 LYS H . 15635 1 1088 . 2 2 27 27 LYS HA H 1 4.333 0.020 . 1 . . . . 125 LYS HA . 15635 1 1089 . 2 2 27 27 LYS HB2 H 1 1.855 0.020 . 2 . . . . 125 LYS HB2 . 15635 1 1090 . 2 2 27 27 LYS HB3 H 1 1.767 0.020 . 2 . . . . 125 LYS HB3 . 15635 1 1091 . 2 2 27 27 LYS HD2 H 1 1.682 0.020 . 2 . . . . 125 LYS HD2 . 15635 1 1092 . 2 2 27 27 LYS HD3 H 1 1.682 0.020 . 2 . . . . 125 LYS HD3 . 15635 1 1093 . 2 2 27 27 LYS HE2 H 1 3.012 0.020 . 2 . . . . 125 LYS HE2 . 15635 1 1094 . 2 2 27 27 LYS HE3 H 1 3.012 0.020 . 2 . . . . 125 LYS HE3 . 15635 1 1095 . 2 2 27 27 LYS HG2 H 1 1.420 0.020 . 2 . . . . 125 LYS HG2 . 15635 1 1096 . 2 2 27 27 LYS HG3 H 1 1.420 0.020 . 2 . . . . 125 LYS HG3 . 15635 1 1097 . 2 2 27 27 LYS C C 13 176.355 0.1 . 1 . . . . 125 LYS C . 15635 1 1098 . 2 2 27 27 LYS CA C 13 56.656 0.1 . 1 . . . . 125 LYS CA . 15635 1 1099 . 2 2 27 27 LYS CB C 13 33.529 0.1 . 1 . . . . 125 LYS CB . 15635 1 1100 . 2 2 27 27 LYS CD C 13 29.632 0.1 . 1 . . . . 125 LYS CD . 15635 1 1101 . 2 2 27 27 LYS CE C 13 42.579 0.1 . 1 . . . . 125 LYS CE . 15635 1 1102 . 2 2 27 27 LYS CG C 13 25.107 0.1 . 1 . . . . 125 LYS CG . 15635 1 1103 . 2 2 27 27 LYS N N 15 121.457 0.1 . 1 . . . . 125 LYS N . 15635 1 1104 . 2 2 28 28 GLU H H 1 8.205 0.020 . 1 . . . . 126 GLU H . 15635 1 1105 . 2 2 28 28 GLU N N 15 122.740 0.1 . 1 . . . . 126 GLU N . 15635 1 1106 . 2 2 29 29 PRO HA H 1 4.377 0.020 . 1 . . . . 127 PRO HA . 15635 1 1107 . 2 2 29 29 PRO HB2 H 1 2.243 0.020 . 2 . . . . 127 PRO HB2 . 15635 1 1108 . 2 2 29 29 PRO HB3 H 1 1.832 0.020 . 2 . . . . 127 PRO HB3 . 15635 1 1109 . 2 2 29 29 PRO HD2 H 1 3.791 0.020 . 2 . . . . 127 PRO HD2 . 15635 1 1110 . 2 2 29 29 PRO HD3 H 1 3.692 0.020 . 2 . . . . 127 PRO HD3 . 15635 1 1111 . 2 2 29 29 PRO HG2 H 1 2.022 0.020 . 2 . . . . 127 PRO HG2 . 15635 1 1112 . 2 2 29 29 PRO HG3 H 1 2.022 0.020 . 2 . . . . 127 PRO HG3 . 15635 1 1113 . 2 2 29 29 PRO C C 13 176.812 0.1 . 1 . . . . 127 PRO C . 15635 1 1114 . 2 2 29 29 PRO CA C 13 63.821 0.1 . 1 . . . . 127 PRO CA . 15635 1 1115 . 2 2 29 29 PRO CB C 13 32.272 0.1 . 1 . . . . 127 PRO CB . 15635 1 1116 . 2 2 29 29 PRO CD C 13 51.000 0.1 . 1 . . . . 127 PRO CD . 15635 1 1117 . 2 2 29 29 PRO CG C 13 27.873 0.1 . 1 . . . . 127 PRO CG . 15635 1 1118 . 2 2 30 30 ALA H H 1 8.273 0.020 . 1 . . . . 128 ALA H . 15635 1 1119 . 2 2 30 30 ALA HA H 1 4.287 0.020 . 1 . . . . 128 ALA HA . 15635 1 1120 . 2 2 30 30 ALA HB1 H 1 1.322 0.020 . 1 . . . . 128 ALA QB . 15635 1 1121 . 2 2 30 30 ALA HB2 H 1 1.322 0.020 . 1 . . . . 128 ALA QB . 15635 1 1122 . 2 2 30 30 ALA HB3 H 1 1.322 0.020 . 1 . . . . 128 ALA QB . 15635 1 1123 . 2 2 30 30 ALA C C 13 177.589 0.1 . 1 . . . . 128 ALA C . 15635 1 1124 . 2 2 30 30 ALA CA C 13 52.873 0.1 . 1 . . . . 128 ALA CA . 15635 1 1125 . 2 2 30 30 ALA CB C 13 19.703 0.1 . 1 . . . . 128 ALA CB . 15635 1 1126 . 2 2 30 30 ALA N N 15 123.577 0.1 . 1 . . . . 128 ALA N . 15635 1 1127 . 2 2 31 31 PHE H H 1 8.019 0.020 . 1 . . . . 129 PHE H . 15635 1 1128 . 2 2 31 31 PHE HA H 1 4.621 0.020 . 1 . . . . 129 PHE HA . 15635 1 1129 . 2 2 31 31 PHE HB2 H 1 3.148 0.020 . 2 . . . . 129 PHE HB2 . 15635 1 1130 . 2 2 31 31 PHE HB3 H 1 3.062 0.020 . 2 . . . . 129 PHE HB3 . 15635 1 1131 . 2 2 31 31 PHE HD1 H 1 7.261 0.020 . 1 . . . . 129 PHE HD1 . 15635 1 1132 . 2 2 31 31 PHE HD2 H 1 7.261 0.020 . 1 . . . . 129 PHE HD2 . 15635 1 1133 . 2 2 31 31 PHE HE1 H 1 7.345 0.020 . 1 . . . . 129 PHE HE1 . 15635 1 1134 . 2 2 31 31 PHE HE2 H 1 7.345 0.020 . 1 . . . . 129 PHE HE2 . 15635 1 1135 . 2 2 31 31 PHE C C 13 175.624 0.1 . 1 . . . . 129 PHE C . 15635 1 1136 . 2 2 31 31 PHE CA C 13 58.039 0.1 . 1 . . . . 129 PHE CA . 15635 1 1137 . 2 2 31 31 PHE CB C 13 40.055 0.1 . 1 . . . . 129 PHE CB . 15635 1 1138 . 2 2 31 31 PHE CD1 C 13 132.047 0.1 . 1 . . . . 129 PHE CD1 . 15635 1 1139 . 2 2 31 31 PHE CE1 C 13 132.047 0.1 . 1 . . . . 129 PHE CE1 . 15635 1 1140 . 2 2 31 31 PHE N N 15 118.994 0.1 . 1 . . . . 129 PHE N . 15635 1 1141 . 2 2 32 32 ARG H H 1 8.042 0.020 . 1 . . . . 130 ARG H . 15635 1 1142 . 2 2 32 32 ARG HA H 1 4.332 0.020 . 1 . . . . 130 ARG HA . 15635 1 1143 . 2 2 32 32 ARG HB2 H 1 1.823 0.020 . 2 . . . . 130 ARG HB2 . 15635 1 1144 . 2 2 32 32 ARG HB3 H 1 1.720 0.020 . 2 . . . . 130 ARG HB3 . 15635 1 1145 . 2 2 32 32 ARG HD2 H 1 3.192 0.020 . 2 . . . . 130 ARG HD2 . 15635 1 1146 . 2 2 32 32 ARG HD3 H 1 3.192 0.020 . 2 . . . . 130 ARG HD3 . 15635 1 1147 . 2 2 32 32 ARG HG2 H 1 1.576 0.001 . 2 . . . . 130 ARG HG2 . 15635 1 1148 . 2 2 32 32 ARG HG3 H 1 1.576 0.001 . 2 . . . . 130 ARG HG3 . 15635 1 1149 . 2 2 32 32 ARG C C 13 175.875 0.1 . 1 . . . . 130 ARG C . 15635 1 1150 . 2 2 32 32 ARG CA C 13 56.154 0.1 . 1 . . . . 130 ARG CA . 15635 1 1151 . 2 2 32 32 ARG CB C 13 31.643 0.1 . 1 . . . . 130 ARG CB . 15635 1 1152 . 2 2 32 32 ARG CD C 13 43.961 0.1 . 1 . . . . 130 ARG CD . 15635 1 1153 . 2 2 32 32 ARG CG C 13 27.300 0.1 . 1 . . . . 130 ARG CG . 15635 1 1154 . 2 2 32 32 ARG N N 15 122.929 0.1 . 1 . . . . 130 ARG N . 15635 1 1155 . 2 2 33 33 GLU H H 1 8.389 0.020 . 1 . . . . 131 GLU H . 15635 1 1156 . 2 2 33 33 GLU HA H 1 4.276 0.020 . 1 . . . . 131 GLU HA . 15635 1 1157 . 2 2 33 33 GLU HB2 H 1 2.084 0.020 . 2 . . . . 131 GLU HB2 . 15635 1 1158 . 2 2 33 33 GLU HB3 H 1 1.988 0.020 . 2 . . . . 131 GLU HB3 . 15635 1 1159 . 2 2 33 33 GLU HG2 H 1 2.303 0.020 . 2 . . . . 131 GLU HG2 . 15635 1 1160 . 2 2 33 33 GLU HG3 H 1 2.303 0.020 . 2 . . . . 131 GLU HG3 . 15635 1 1161 . 2 2 33 33 GLU C C 13 176.766 0.1 . 1 . . . . 131 GLU C . 15635 1 1162 . 2 2 33 33 GLU CA C 13 57.285 0.1 . 1 . . . . 131 GLU CA . 15635 1 1163 . 2 2 33 33 GLU CB C 13 30.512 0.1 . 1 . . . . 131 GLU CB . 15635 1 1164 . 2 2 33 33 GLU CG C 13 36.797 0.1 . 1 . . . . 131 GLU CG . 15635 1 1165 . 2 2 33 33 GLU N N 15 122.719 0.1 . 1 . . . . 131 GLU N . 15635 1 1166 . 2 2 34 34 GLU H H 1 8.502 0.020 . 1 . . . . 132 GLU H . 15635 1 1167 . 2 2 34 34 GLU HA H 1 4.275 0.020 . 1 . . . . 132 GLU HA . 15635 1 1168 . 2 2 34 34 GLU HB2 H 1 2.079 0.020 . 2 . . . . 132 GLU HB2 . 15635 1 1169 . 2 2 34 34 GLU HB3 H 1 1.974 0.020 . 2 . . . . 132 GLU HB3 . 15635 1 1170 . 2 2 34 34 GLU HG2 H 1 2.290 0.002 . 2 . . . . 132 GLU HG2 . 15635 1 1171 . 2 2 34 34 GLU HG3 H 1 2.290 0.002 . 2 . . . . 132 GLU HG3 . 15635 1 1172 . 2 2 34 34 GLU C C 13 176.560 0.1 . 1 . . . . 132 GLU C . 15635 1 1173 . 2 2 34 34 GLU CA C 13 57.400 0.1 . 1 . . . . 132 GLU CA . 15635 1 1174 . 2 2 34 34 GLU CB C 13 30.526 0.040 . 1 . . . . 132 GLU CB . 15635 1 1175 . 2 2 34 34 GLU CG C 13 36.797 0.1 . 1 . . . . 132 GLU CG . 15635 1 1176 . 2 2 34 34 GLU N N 15 122.122 0.1 . 1 . . . . 132 GLU N . 15635 1 1177 . 2 2 35 35 ASN H H 1 8.362 0.020 . 1 . . . . 133 ASN H . 15635 1 1178 . 2 2 35 35 ASN HA H 1 4.693 0.020 . 1 . . . . 133 ASN HA . 15635 1 1179 . 2 2 35 35 ASN HB2 H 1 2.846 0.020 . 2 . . . . 133 ASN HB2 . 15635 1 1180 . 2 2 35 35 ASN HB3 H 1 2.776 0.020 . 2 . . . . 133 ASN HB3 . 15635 1 1181 . 2 2 35 35 ASN C C 13 175.258 0.1 . 1 . . . . 133 ASN C . 15635 1 1182 . 2 2 35 35 ASN CA C 13 53.765 0.1 . 1 . . . . 133 ASN CA . 15635 1 1183 . 2 2 35 35 ASN CB C 13 39.562 0.1 . 1 . . . . 133 ASN CB . 15635 1 1184 . 2 2 35 35 ASN N N 15 119.552 0.1 . 1 . . . . 133 ASN N . 15635 1 1185 . 2 2 36 36 ALA H H 1 8.155 0.020 . 1 . . . . 134 ALA H . 15635 1 1186 . 2 2 36 36 ALA HA H 1 4.289 0.020 . 1 . . . . 134 ALA HA . 15635 1 1187 . 2 2 36 36 ALA HB1 H 1 1.326 0.020 . 1 . . . . 134 ALA QB . 15635 1 1188 . 2 2 36 36 ALA HB2 H 1 1.326 0.020 . 1 . . . . 134 ALA QB . 15635 1 1189 . 2 2 36 36 ALA HB3 H 1 1.326 0.020 . 1 . . . . 134 ALA QB . 15635 1 1190 . 2 2 36 36 ALA C C 13 177.520 0.1 . 1 . . . . 134 ALA C . 15635 1 1191 . 2 2 36 36 ALA CA C 13 52.873 0.1 . 1 . . . . 134 ALA CA . 15635 1 1192 . 2 2 36 36 ALA CB C 13 19.703 0.1 . 1 . . . . 134 ALA CB . 15635 1 1193 . 2 2 36 36 ALA N N 15 124.376 0.1 . 1 . . . . 134 ALA N . 15635 1 1194 . 2 2 37 37 ASN H H 1 8.210 0.020 . 1 . . . . 135 ASN H . 15635 1 1195 . 2 2 37 37 ASN HA H 1 4.694 0.020 . 1 . . . . 135 ASN HA . 15635 1 1196 . 2 2 37 37 ASN HB2 H 1 2.773 0.020 . 2 . . . . 135 ASN HB2 . 15635 1 1197 . 2 2 37 37 ASN HB3 H 1 2.706 0.020 . 2 . . . . 135 ASN HB3 . 15635 1 1198 . 2 2 37 37 ASN C C 13 175.144 0.1 . 1 . . . . 135 ASN C . 15635 1 1199 . 2 2 37 37 ASN CA C 13 53.640 0.1 . 1 . . . . 135 ASN CA . 15635 1 1200 . 2 2 37 37 ASN CB C 13 39.311 0.1 . 1 . . . . 135 ASN CB . 15635 1 1201 . 2 2 37 37 ASN N N 15 117.103 0.1 . 1 . . . . 135 ASN N . 15635 1 1202 . 2 2 38 38 PHE H H 1 7.997 0.020 . 1 . . . . 136 PHE H . 15635 1 1203 . 2 2 38 38 PHE HA H 1 4.659 0.020 . 1 . . . . 136 PHE HA . 15635 1 1204 . 2 2 38 38 PHE HB2 H 1 3.219 0.020 . 2 . . . . 136 PHE HB2 . 15635 1 1205 . 2 2 38 38 PHE HB3 H 1 3.055 0.020 . 2 . . . . 136 PHE HB3 . 15635 1 1206 . 2 2 38 38 PHE HD1 H 1 7.267 0.020 . 1 . . . . 136 PHE HD1 . 15635 1 1207 . 2 2 38 38 PHE HD2 H 1 7.267 0.020 . 1 . . . . 136 PHE HD2 . 15635 1 1208 . 2 2 38 38 PHE HE1 H 1 7.379 0.020 . 1 . . . . 136 PHE HE1 . 15635 1 1209 . 2 2 38 38 PHE HE2 H 1 7.379 0.020 . 1 . . . . 136 PHE HE2 . 15635 1 1210 . 2 2 38 38 PHE C C 13 175.601 0.1 . 1 . . . . 136 PHE C . 15635 1 1211 . 2 2 38 38 PHE CA C 13 58.165 0.1 . 1 . . . . 136 PHE CA . 15635 1 1212 . 2 2 38 38 PHE CB C 13 39.939 0.1 . 1 . . . . 136 PHE CB . 15635 1 1213 . 2 2 38 38 PHE CD1 C 13 132.047 0.1 . 1 . . . . 136 PHE CD1 . 15635 1 1214 . 2 2 38 38 PHE CE1 C 13 132.047 0.1 . 1 . . . . 136 PHE CE1 . 15635 1 1215 . 2 2 38 38 PHE N N 15 120.229 0.1 . 1 . . . . 136 PHE N . 15635 1 1216 . 2 2 39 39 ASN H H 1 8.272 0.020 . 1 . . . . 137 ASN H . 15635 1 1217 . 2 2 39 39 ASN HA H 1 4.733 0.020 . 1 . . . . 137 ASN HA . 15635 1 1218 . 2 2 39 39 ASN HB2 H 1 2.846 0.020 . 2 . . . . 137 ASN HB2 . 15635 1 1219 . 2 2 39 39 ASN HB3 H 1 2.709 0.020 . 2 . . . . 137 ASN HB3 . 15635 1 1220 . 2 2 39 39 ASN C C 13 174.047 0.1 . 1 . . . . 137 ASN C . 15635 1 1221 . 2 2 39 39 ASN CA C 13 53.891 0.1 . 1 . . . . 137 ASN CA . 15635 1 1222 . 2 2 39 39 ASN CB C 13 39.688 0.1 . 1 . . . . 137 ASN CB . 15635 1 1223 . 2 2 39 39 ASN N N 15 120.594 0.1 . 1 . . . . 137 ASN N . 15635 1 1224 . 2 2 40 40 LYS H H 1 7.697 0.020 . 1 . . . . 138 LYS H . 15635 1 1225 . 2 2 40 40 LYS HA H 1 4.174 0.020 . 1 . . . . 138 LYS HA . 15635 1 1226 . 2 2 40 40 LYS HB2 H 1 1.856 0.020 . 2 . . . . 138 LYS HB2 . 15635 1 1227 . 2 2 40 40 LYS HB3 H 1 1.726 0.020 . 2 . . . . 138 LYS HB3 . 15635 1 1228 . 2 2 40 40 LYS HD2 H 1 1.705 0.020 . 2 . . . . 138 LYS HD2 . 15635 1 1229 . 2 2 40 40 LYS HD3 H 1 1.705 0.020 . 2 . . . . 138 LYS HD3 . 15635 1 1230 . 2 2 40 40 LYS HE2 H 1 3.020 0.020 . 2 . . . . 138 LYS HE2 . 15635 1 1231 . 2 2 40 40 LYS HE3 H 1 3.020 0.020 . 2 . . . . 138 LYS HE3 . 15635 1 1232 . 2 2 40 40 LYS HG2 H 1 1.413 0.020 . 2 . . . . 138 LYS HG2 . 15635 1 1233 . 2 2 40 40 LYS HG3 H 1 1.413 0.020 . 2 . . . . 138 LYS HG3 . 15635 1 1234 . 2 2 40 40 LYS CA C 13 58.046 0.1 . 1 . . . . 138 LYS CA . 15635 1 1235 . 2 2 40 40 LYS CB C 13 34.102 0.1 . 1 . . . . 138 LYS CB . 15635 1 1236 . 2 2 40 40 LYS CD C 13 29.896 0.1 . 1 . . . . 138 LYS CD . 15635 1 1237 . 2 2 40 40 LYS CE C 13 42.838 0.1 . 1 . . . . 138 LYS CE . 15635 1 1238 . 2 2 40 40 LYS CG C 13 25.042 0.1 . 1 . . . . 138 LYS CG . 15635 1 1239 . 2 2 40 40 LYS N N 15 126.523 0.1 . 1 . . . . 138 LYS N . 15635 1 1240 . 3 1 3 3 LYS H H 1 8.402 0.020 . 1 . . . . 201 LYS H . 15635 1 1241 . 3 1 3 3 LYS N N 15 124.577 0.1 . 1 . . . . 201 LYS N . 15635 1 1242 . 3 1 4 4 PRO HA H 1 4.509 0.020 . 1 . . . . 202 PRO HA . 15635 1 1243 . 3 1 4 4 PRO HB2 H 1 2.309 0.020 . 2 . . . . 202 PRO HB2 . 15635 1 1244 . 3 1 4 4 PRO HB3 H 1 1.936 0.020 . 2 . . . . 202 PRO HB3 . 15635 1 1245 . 3 1 4 4 PRO HD2 H 1 3.885 0.020 . 2 . . . . 202 PRO HD2 . 15635 1 1246 . 3 1 4 4 PRO HD3 H 1 3.678 0.020 . 2 . . . . 202 PRO HD3 . 15635 1 1247 . 3 1 4 4 PRO HG2 H 1 2.054 0.020 . 2 . . . . 202 PRO HG2 . 15635 1 1248 . 3 1 4 4 PRO HG3 H 1 2.054 0.020 . 2 . . . . 202 PRO HG3 . 15635 1 1249 . 3 1 4 4 PRO C C 13 177.132 0.1 . 1 . . . . 202 PRO C . 15635 1 1250 . 3 1 4 4 PRO CA C 13 63.529 0.1 . 1 . . . . 202 PRO CA . 15635 1 1251 . 3 1 4 4 PRO CB C 13 32.476 0.1 . 1 . . . . 202 PRO CB . 15635 1 1252 . 3 1 4 4 PRO CD C 13 51.064 0.1 . 1 . . . . 202 PRO CD . 15635 1 1253 . 3 1 4 4 PRO CG C 13 27.775 0.1 . 1 . . . . 202 PRO CG . 15635 1 1254 . 3 1 5 5 VAL H H 1 8.201 0.020 . 1 . . . . 203 VAL H . 15635 1 1255 . 3 1 5 5 VAL HA H 1 4.152 0.020 . 1 . . . . 203 VAL HA . 15635 1 1256 . 3 1 5 5 VAL HB H 1 2.108 0.020 . 1 . . . . 203 VAL HB . 15635 1 1257 . 3 1 5 5 VAL HG11 H 1 0.988 0.020 . 2 . . . . 203 VAL QG1 . 15635 1 1258 . 3 1 5 5 VAL HG12 H 1 0.988 0.020 . 2 . . . . 203 VAL QG1 . 15635 1 1259 . 3 1 5 5 VAL HG13 H 1 0.988 0.020 . 2 . . . . 203 VAL QG1 . 15635 1 1260 . 3 1 5 5 VAL HG21 H 1 0.988 0.020 . 2 . . . . 203 VAL QG2 . 15635 1 1261 . 3 1 5 5 VAL HG22 H 1 0.988 0.020 . 2 . . . . 203 VAL QG2 . 15635 1 1262 . 3 1 5 5 VAL HG23 H 1 0.988 0.020 . 2 . . . . 203 VAL QG2 . 15635 1 1263 . 3 1 5 5 VAL C C 13 176.423 0.1 . 1 . . . . 203 VAL C . 15635 1 1264 . 3 1 5 5 VAL CA C 13 62.873 0.1 . 1 . . . . 203 VAL CA . 15635 1 1265 . 3 1 5 5 VAL CB C 13 33.455 0.1 . 1 . . . . 203 VAL CB . 15635 1 1266 . 3 1 5 5 VAL CG1 C 13 21.324 0.1 . 1 . . . . 203 VAL CG1 . 15635 1 1267 . 3 1 5 5 VAL N N 15 120.488 0.1 . 1 . . . . 203 VAL N . 15635 1 1268 . 3 1 6 6 SER H H 1 8.276 0.020 . 1 . . . . 204 SER H . 15635 1 1269 . 3 1 6 6 SER HA H 1 4.494 0.020 . 1 . . . . 204 SER HA . 15635 1 1270 . 3 1 6 6 SER HB2 H 1 3.874 0.020 . 2 . . . . 204 SER HB2 . 15635 1 1271 . 3 1 6 6 SER HB3 H 1 3.874 0.020 . 2 . . . . 204 SER HB3 . 15635 1 1272 . 3 1 6 6 SER C C 13 174.687 0.1 . 1 . . . . 204 SER C . 15635 1 1273 . 3 1 6 6 SER CA C 13 58.375 0.1 . 1 . . . . 204 SER CA . 15635 1 1274 . 3 1 6 6 SER CB C 13 64.295 0.1 . 1 . . . . 204 SER CB . 15635 1 1275 . 3 1 6 6 SER N N 15 119.000 0.1 . 1 . . . . 204 SER N . 15635 1 1276 . 3 1 7 7 LEU H H 1 8.238 0.020 . 1 . . . . 205 LEU H . 15635 1 1277 . 3 1 7 7 LEU HA H 1 4.406 0.020 . 1 . . . . 205 LEU HA . 15635 1 1278 . 3 1 7 7 LEU HB2 H 1 1.605 0.020 . 2 . . . . 205 LEU HB2 . 15635 1 1279 . 3 1 7 7 LEU HB3 H 1 1.605 0.020 . 2 . . . . 205 LEU HB3 . 15635 1 1280 . 3 1 7 7 LEU HD11 H 1 0.943 0.020 . 2 . . . . 205 LEU QD1 . 15635 1 1281 . 3 1 7 7 LEU HD12 H 1 0.943 0.020 . 2 . . . . 205 LEU QD1 . 15635 1 1282 . 3 1 7 7 LEU HD13 H 1 0.943 0.020 . 2 . . . . 205 LEU QD1 . 15635 1 1283 . 3 1 7 7 LEU C C 13 177.406 0.1 . 1 . . . . 205 LEU C . 15635 1 1284 . 3 1 7 7 LEU CA C 13 55.766 0.1 . 1 . . . . 205 LEU CA . 15635 1 1285 . 3 1 7 7 LEU CB C 13 43.132 0.1 . 1 . . . . 205 LEU CB . 15635 1 1286 . 3 1 7 7 LEU CD1 C 13 25.588 0.1 . 1 . . . . 205 LEU CD1 . 15635 1 1287 . 3 1 7 7 LEU N N 15 124.704 0.1 . 1 . . . . 205 LEU N . 15635 1 1288 . 3 1 8 8 SER H H 1 8.148 0.020 . 1 . . . . 206 SER H . 15635 1 1289 . 3 1 8 8 SER HA H 1 4.438 0.020 . 1 . . . . 206 SER HA . 15635 1 1290 . 3 1 8 8 SER HB2 H 1 3.829 0.020 . 2 . . . . 206 SER HB2 . 15635 1 1291 . 3 1 8 8 SER HB3 H 1 3.829 0.020 . 2 . . . . 206 SER HB3 . 15635 1 1292 . 3 1 8 8 SER C C 13 174.321 0.1 . 1 . . . . 206 SER C . 15635 1 1293 . 3 1 8 8 SER CA C 13 58.718 0.1 . 1 . . . . 206 SER CA . 15635 1 1294 . 3 1 8 8 SER CB C 13 64.295 0.1 . 1 . . . . 206 SER CB . 15635 1 1295 . 3 1 8 8 SER N N 15 115.960 0.1 . 1 . . . . 206 SER N . 15635 1 1296 . 3 1 9 9 TYR H H 1 7.954 0.020 . 1 . . . . 207 TYR H . 15635 1 1297 . 3 1 9 9 TYR HA H 1 4.585 0.020 . 1 . . . . 207 TYR HA . 15635 1 1298 . 3 1 9 9 TYR HB2 H 1 3.085 0.020 . 2 . . . . 207 TYR HB2 . 15635 1 1299 . 3 1 9 9 TYR HB3 H 1 2.963 0.020 . 2 . . . . 207 TYR HB3 . 15635 1 1300 . 3 1 9 9 TYR HD1 H 1 7.112 0.006 . 1 . . . . 207 TYR HD1 . 15635 1 1301 . 3 1 9 9 TYR HD2 H 1 7.112 0.006 . 1 . . . . 207 TYR HD2 . 15635 1 1302 . 3 1 9 9 TYR HE1 H 1 6.841 0.020 . 1 . . . . 207 TYR HE1 . 15635 1 1303 . 3 1 9 9 TYR HE2 H 1 6.841 0.020 . 1 . . . . 207 TYR HE2 . 15635 1 1304 . 3 1 9 9 TYR C C 13 175.532 0.1 . 1 . . . . 207 TYR C . 15635 1 1305 . 3 1 9 9 TYR CA C 13 58.335 0.1 . 1 . . . . 207 TYR CA . 15635 1 1306 . 3 1 9 9 TYR CB C 13 39.474 0.1 . 1 . . . . 207 TYR CB . 15635 1 1307 . 3 1 9 9 TYR CD1 C 13 133.600 0.1 . 1 . . . . 207 TYR CD1 . 15635 1 1308 . 3 1 9 9 TYR CE1 C 13 118.588 0.1 . 1 . . . . 207 TYR CE1 . 15635 1 1309 . 3 1 9 9 TYR N N 15 121.884 0.1 . 1 . . . . 207 TYR N . 15635 1 1310 . 3 1 10 10 ARG H H 1 8.117 0.020 . 1 . . . . 208 ARG H . 15635 1 1311 . 3 1 10 10 ARG HA H 1 4.349 0.001 . 1 . . . . 208 ARG HA . 15635 1 1312 . 3 1 10 10 ARG HB2 H 1 1.837 0.020 . 2 . . . . 208 ARG HB2 . 15635 1 1313 . 3 1 10 10 ARG HB3 H 1 1.737 0.002 . 2 . . . . 208 ARG HB3 . 15635 1 1314 . 3 1 10 10 ARG HD2 H 1 3.182 0.020 . 2 . . . . 208 ARG HD2 . 15635 1 1315 . 3 1 10 10 ARG HD3 H 1 3.182 0.020 . 2 . . . . 208 ARG HD3 . 15635 1 1316 . 3 1 10 10 ARG HG2 H 1 1.557 0.005 . 2 . . . . 208 ARG HG2 . 15635 1 1317 . 3 1 10 10 ARG HG3 H 1 1.557 0.005 . 2 . . . . 208 ARG HG3 . 15635 1 1318 . 3 1 10 10 ARG C C 13 175.898 0.1 . 1 . . . . 208 ARG C . 15635 1 1319 . 3 1 10 10 ARG CA C 13 56.048 0.1 . 1 . . . . 208 ARG CA . 15635 1 1320 . 3 1 10 10 ARG CB C 13 31.492 0.1 . 1 . . . . 208 ARG CB . 15635 1 1321 . 3 1 10 10 ARG CD C 13 43.957 0.1 . 1 . . . . 208 ARG CD . 15635 1 1322 . 3 1 10 10 ARG CG C 13 27.307 0.1 . 1 . . . . 208 ARG CG . 15635 1 1323 . 3 1 10 10 ARG N N 15 121.977 0.1 . 1 . . . . 208 ARG N . 15635 1 1324 . 3 1 11 11 CYS H H 1 8.127 0.020 . 1 . . . . 209 CYS H . 15635 1 1325 . 3 1 11 11 CYS HA H 1 4.984 0.020 . 1 . . . . 209 CYS HA . 15635 1 1326 . 3 1 11 11 CYS HB2 H 1 3.164 0.020 . 2 . . . . 209 CYS HB2 . 15635 1 1327 . 3 1 11 11 CYS HB3 H 1 2.737 0.020 . 2 . . . . 209 CYS HB3 . 15635 1 1328 . 3 1 11 11 CYS C C 13 177.771 0.1 . 1 . . . . 209 CYS C . 15635 1 1329 . 3 1 11 11 CYS CA C 13 53.192 0.1 . 1 . . . . 209 CYS CA . 15635 1 1330 . 3 1 11 11 CYS CB C 13 40.897 0.1 . 1 . . . . 209 CYS CB . 15635 1 1331 . 3 1 11 11 CYS N N 15 121.209 0.1 . 1 . . . . 209 CYS N . 15635 1 1332 . 3 1 12 12 PRO HA H 1 4.321 0.020 . 1 . . . . 210 PRO HA . 15635 1 1333 . 3 1 12 12 PRO HB2 H 1 2.318 0.020 . 2 . . . . 210 PRO HB2 . 15635 1 1334 . 3 1 12 12 PRO HB3 H 1 1.883 0.020 . 2 . . . . 210 PRO HB3 . 15635 1 1335 . 3 1 12 12 PRO HD2 H 1 3.871 0.020 . 2 . . . . 210 PRO HD2 . 15635 1 1336 . 3 1 12 12 PRO HD3 H 1 3.871 0.020 . 2 . . . . 210 PRO HD3 . 15635 1 1337 . 3 1 12 12 PRO HG2 H 1 2.036 0.020 . 2 . . . . 210 PRO HG2 . 15635 1 1338 . 3 1 12 12 PRO HG3 H 1 2.036 0.020 . 2 . . . . 210 PRO HG3 . 15635 1 1339 . 3 1 12 12 PRO CA C 13 65.478 0.1 . 1 . . . . 210 PRO CA . 15635 1 1340 . 3 1 12 12 PRO CB C 13 32.904 0.1 . 1 . . . . 210 PRO CB . 15635 1 1341 . 3 1 12 12 PRO CD C 13 51.251 0.1 . 1 . . . . 210 PRO CD . 15635 1 1342 . 3 1 12 12 PRO CG C 13 27.900 0.1 . 1 . . . . 210 PRO CG . 15635 1 1343 . 3 1 13 13 CYS H H 1 8.633 0.001 . 1 . . . . 211 CYS H . 15635 1 1344 . 3 1 13 13 CYS C C 13 174.618 0.1 . 1 . . . . 211 CYS C . 15635 1 1345 . 3 1 13 13 CYS N N 15 114.595 0.1 . 1 . . . . 211 CYS N . 15635 1 1346 . 3 1 14 14 ARG H H 1 8.236 0.020 . 1 . . . . 212 ARG H . 15635 1 1347 . 3 1 14 14 ARG HA H 1 4.067 0.020 . 1 . . . . 212 ARG HA . 15635 1 1348 . 3 1 14 14 ARG HB2 H 1 1.572 0.020 . 2 . . . . 212 ARG HB2 . 15635 1 1349 . 3 1 14 14 ARG HB3 H 1 1.572 0.020 . 2 . . . . 212 ARG HB3 . 15635 1 1350 . 3 1 14 14 ARG HD2 H 1 3.062 0.020 . 2 . . . . 212 ARG HD2 . 15635 1 1351 . 3 1 14 14 ARG HD3 H 1 3.062 0.020 . 2 . . . . 212 ARG HD3 . 15635 1 1352 . 3 1 14 14 ARG HG2 H 1 1.331 0.020 . 2 . . . . 212 ARG HG2 . 15635 1 1353 . 3 1 14 14 ARG HG3 H 1 1.295 0.020 . 2 . . . . 212 ARG HG3 . 15635 1 1354 . 3 1 14 14 ARG C C 13 175.098 0.1 . 1 . . . . 212 ARG C . 15635 1 1355 . 3 1 14 14 ARG CA C 13 57.370 0.1 . 1 . . . . 212 ARG CA . 15635 1 1356 . 3 1 14 14 ARG CB C 13 31.631 0.1 . 1 . . . . 212 ARG CB . 15635 1 1357 . 3 1 14 14 ARG CD C 13 43.865 0.1 . 1 . . . . 212 ARG CD . 15635 1 1358 . 3 1 14 14 ARG CG C 13 27.227 0.1 . 1 . . . . 212 ARG CG . 15635 1 1359 . 3 1 14 14 ARG N N 15 122.779 0.1 . 1 . . . . 212 ARG N . 15635 1 1360 . 3 1 15 15 PHE H H 1 7.615 0.020 . 1 . . . . 213 PHE H . 15635 1 1361 . 3 1 15 15 PHE HA H 1 4.510 0.020 . 1 . . . . 213 PHE HA . 15635 1 1362 . 3 1 15 15 PHE HB2 H 1 3.084 0.020 . 2 . . . . 213 PHE HB2 . 15635 1 1363 . 3 1 15 15 PHE HB3 H 1 2.807 0.020 . 2 . . . . 213 PHE HB3 . 15635 1 1364 . 3 1 15 15 PHE HD1 H 1 7.224 0.005 . 1 . . . . 213 PHE HD1 . 15635 1 1365 . 3 1 15 15 PHE HD2 H 1 7.224 0.005 . 1 . . . . 213 PHE HD2 . 15635 1 1366 . 3 1 15 15 PHE HE1 H 1 7.351 0.020 . 1 . . . . 213 PHE HE1 . 15635 1 1367 . 3 1 15 15 PHE HE2 H 1 7.351 0.020 . 1 . . . . 213 PHE HE2 . 15635 1 1368 . 3 1 15 15 PHE C C 13 174.162 0.1 . 1 . . . . 213 PHE C . 15635 1 1369 . 3 1 15 15 PHE CA C 13 56.289 0.1 . 1 . . . . 213 PHE CA . 15635 1 1370 . 3 1 15 15 PHE CB C 13 41.320 0.1 . 1 . . . . 213 PHE CB . 15635 1 1371 . 3 1 15 15 PHE CD1 C 13 132.565 0.1 . 1 . . . . 213 PHE CD1 . 15635 1 1372 . 3 1 15 15 PHE CE1 C 13 132.047 0.1 . 1 . . . . 213 PHE CE1 . 15635 1 1373 . 3 1 15 15 PHE N N 15 116.797 0.1 . 1 . . . . 213 PHE N . 15635 1 1374 . 3 1 16 16 PHE H H 1 8.125 0.006 . 1 . . . . 214 PHE H . 15635 1 1375 . 3 1 16 16 PHE HA H 1 4.767 0.020 . 1 . . . . 214 PHE HA . 15635 1 1376 . 3 1 16 16 PHE HB2 H 1 2.898 0.020 . 2 . . . . 214 PHE HB2 . 15635 1 1377 . 3 1 16 16 PHE HB3 H 1 2.775 0.020 . 2 . . . . 214 PHE HB3 . 15635 1 1378 . 3 1 16 16 PHE HD1 H 1 7.022 0.020 . 1 . . . . 214 PHE HD1 . 15635 1 1379 . 3 1 16 16 PHE HD2 H 1 7.022 0.020 . 1 . . . . 214 PHE HD2 . 15635 1 1380 . 3 1 16 16 PHE HE1 H 1 7.324 0.020 . 1 . . . . 214 PHE HE1 . 15635 1 1381 . 3 1 16 16 PHE HE2 H 1 7.324 0.020 . 1 . . . . 214 PHE HE2 . 15635 1 1382 . 3 1 16 16 PHE C C 13 175.441 0.1 . 1 . . . . 214 PHE C . 15635 1 1383 . 3 1 16 16 PHE CA C 13 55.767 0.1 . 1 . . . . 214 PHE CA . 15635 1 1384 . 3 1 16 16 PHE CB C 13 41.320 0.1 . 1 . . . . 214 PHE CB . 15635 1 1385 . 3 1 16 16 PHE CD1 C 13 132.047 0.1 . 1 . . . . 214 PHE CD1 . 15635 1 1386 . 3 1 16 16 PHE CE1 C 13 131.789 0.1 . 1 . . . . 214 PHE CE1 . 15635 1 1387 . 3 1 16 16 PHE N N 15 118.930 0.1 . 1 . . . . 214 PHE N . 15635 1 1388 . 3 1 17 17 GLU H H 1 8.836 0.020 . 1 . . . . 215 GLU H . 15635 1 1389 . 3 1 17 17 GLU HA H 1 4.579 0.020 . 1 . . . . 215 GLU HA . 15635 1 1390 . 3 1 17 17 GLU HB2 H 1 2.026 0.020 . 2 . . . . 215 GLU HB2 . 15635 1 1391 . 3 1 17 17 GLU HB3 H 1 2.155 0.020 . 2 . . . . 215 GLU HB3 . 15635 1 1392 . 3 1 17 17 GLU HG2 H 1 2.392 0.020 . 2 . . . . 215 GLU HG2 . 15635 1 1393 . 3 1 17 17 GLU HG3 H 1 2.323 0.020 . 2 . . . . 215 GLU HG3 . 15635 1 1394 . 3 1 17 17 GLU C C 13 176.857 0.1 . 1 . . . . 215 GLU C . 15635 1 1395 . 3 1 17 17 GLU CA C 13 56.289 0.1 . 1 . . . . 215 GLU CA . 15635 1 1396 . 3 1 17 17 GLU CB C 13 31.173 0.1 . 1 . . . . 215 GLU CB . 15635 1 1397 . 3 1 17 17 GLU CG C 13 36.818 0.1 . 1 . . . . 215 GLU CG . 15635 1 1398 . 3 1 17 17 GLU N N 15 122.929 0.1 . 1 . . . . 215 GLU N . 15635 1 1399 . 3 1 18 18 SER H H 1 8.751 0.005 . 1 . . . . 216 SER H . 15635 1 1400 . 3 1 18 18 SER HA H 1 4.762 0.006 . 1 . . . . 216 SER HA . 15635 1 1401 . 3 1 18 18 SER HB2 H 1 3.911 0.020 . 2 . . . . 216 SER HB2 . 15635 1 1402 . 3 1 18 18 SER HB3 H 1 3.782 0.020 . 2 . . . . 216 SER HB3 . 15635 1 1403 . 3 1 18 18 SER C C 13 177.497 0.1 . 1 . . . . 216 SER C . 15635 1 1404 . 3 1 18 18 SER CA C 13 59.328 0.1 . 1 . . . . 216 SER CA . 15635 1 1405 . 3 1 18 18 SER CB C 13 64.515 0.1 . 1 . . . . 216 SER CB . 15635 1 1406 . 3 1 18 18 SER N N 15 118.860 0.1 . 1 . . . . 216 SER N . 15635 1 1407 . 3 1 19 19 HIS H H 1 8.761 0.020 . 1 . . . . 217 HIS H . 15635 1 1408 . 3 1 19 19 HIS HA H 1 4.859 0.020 . 1 . . . . 217 HIS HA . 15635 1 1409 . 3 1 19 19 HIS HB2 H 1 3.248 0.020 . 2 . . . . 217 HIS HB2 . 15635 1 1410 . 3 1 19 19 HIS HB3 H 1 3.248 0.020 . 2 . . . . 217 HIS HB3 . 15635 1 1411 . 3 1 19 19 HIS HD2 H 1 7.175 0.006 . 1 . . . . 217 HIS HD2 . 15635 1 1412 . 3 1 19 19 HIS HE1 H 1 8.028 0.020 . 1 . . . . 217 HIS HE1 . 15635 1 1413 . 3 1 19 19 HIS C C 13 174.618 0.1 . 1 . . . . 217 HIS C . 15635 1 1414 . 3 1 19 19 HIS CA C 13 56.449 0.1 . 1 . . . . 217 HIS CA . 15635 1 1415 . 3 1 19 19 HIS CB C 13 29.870 0.1 . 1 . . . . 217 HIS CB . 15635 1 1416 . 3 1 19 19 HIS CD2 C 13 120.400 0.1 . 1 . . . . 217 HIS CD2 . 15635 1 1417 . 3 1 19 19 HIS CE1 C 13 138.518 0.1 . 1 . . . . 217 HIS CE1 . 15635 1 1418 . 3 1 19 19 HIS N N 15 120.535 0.1 . 1 . . . . 217 HIS N . 15635 1 1419 . 3 1 20 20 VAL H H 1 7.157 0.004 . 1 . . . . 218 VAL H . 15635 1 1420 . 3 1 20 20 VAL HA H 1 4.181 0.020 . 1 . . . . 218 VAL HA . 15635 1 1421 . 3 1 20 20 VAL HB H 1 1.953 0.020 . 1 . . . . 218 VAL HB . 15635 1 1422 . 3 1 20 20 VAL HG11 H 1 0.907 0.020 . 2 . . . . 218 VAL QG1 . 15635 1 1423 . 3 1 20 20 VAL HG12 H 1 0.907 0.020 . 2 . . . . 218 VAL QG1 . 15635 1 1424 . 3 1 20 20 VAL HG13 H 1 0.907 0.020 . 2 . . . . 218 VAL QG1 . 15635 1 1425 . 3 1 20 20 VAL HG21 H 1 0.907 0.020 . 2 . . . . 218 VAL QG2 . 15635 1 1426 . 3 1 20 20 VAL HG22 H 1 0.907 0.020 . 2 . . . . 218 VAL QG2 . 15635 1 1427 . 3 1 20 20 VAL HG23 H 1 0.907 0.020 . 2 . . . . 218 VAL QG2 . 15635 1 1428 . 3 1 20 20 VAL C C 13 174.436 0.1 . 1 . . . . 218 VAL C . 15635 1 1429 . 3 1 20 20 VAL CA C 13 62.167 0.1 . 1 . . . . 218 VAL CA . 15635 1 1430 . 3 1 20 20 VAL CB C 13 34.426 0.1 . 1 . . . . 218 VAL CB . 15635 1 1431 . 3 1 20 20 VAL CG1 C 13 22.489 0.1 . 1 . . . . 218 VAL CG1 . 15635 1 1432 . 3 1 20 20 VAL N N 15 120.872 0.1 . 1 . . . . 218 VAL N . 15635 1 1433 . 3 1 21 21 ALA H H 1 8.521 0.001 . 1 . . . . 219 ALA H . 15635 1 1434 . 3 1 21 21 ALA HA H 1 4.372 0.020 . 1 . . . . 219 ALA HA . 15635 1 1435 . 3 1 21 21 ALA HB1 H 1 1.362 0.020 . 1 . . . . 219 ALA QB . 15635 1 1436 . 3 1 21 21 ALA HB2 H 1 1.362 0.020 . 1 . . . . 219 ALA QB . 15635 1 1437 . 3 1 21 21 ALA HB3 H 1 1.362 0.020 . 1 . . . . 219 ALA QB . 15635 1 1438 . 3 1 21 21 ALA C C 13 177.657 0.1 . 1 . . . . 219 ALA C . 15635 1 1439 . 3 1 21 21 ALA CA C 13 51.193 0.1 . 1 . . . . 219 ALA CA . 15635 1 1440 . 3 1 21 21 ALA CB C 13 19.790 0.1 . 1 . . . . 219 ALA CB . 15635 1 1441 . 3 1 21 21 ALA N N 15 131.339 0.1 . 1 . . . . 219 ALA N . 15635 1 1442 . 3 1 22 22 ARG H H 1 7.790 0.001 . 1 . . . . 220 ARG H . 15635 1 1443 . 3 1 22 22 ARG HA H 1 2.445 0.020 . 1 . . . . 220 ARG HA . 15635 1 1444 . 3 1 22 22 ARG HB2 H 1 1.062 0.020 . 2 . . . . 220 ARG HB2 . 15635 1 1445 . 3 1 22 22 ARG HB3 H 1 0.444 0.020 . 2 . . . . 220 ARG HB3 . 15635 1 1446 . 3 1 22 22 ARG HD2 H 1 2.897 0.002 . 2 . . . . 220 ARG HD2 . 15635 1 1447 . 3 1 22 22 ARG HD3 H 1 2.897 0.002 . 2 . . . . 220 ARG HD3 . 15635 1 1448 . 3 1 22 22 ARG HG2 H 1 1.194 0.001 . 2 . . . . 220 ARG HG2 . 15635 1 1449 . 3 1 22 22 ARG HG3 H 1 0.860 0.003 . 2 . . . . 220 ARG HG3 . 15635 1 1450 . 3 1 22 22 ARG C C 13 178.365 0.1 . 1 . . . . 220 ARG C . 15635 1 1451 . 3 1 22 22 ARG CA C 13 59.379 0.1 . 1 . . . . 220 ARG CA . 15635 1 1452 . 3 1 22 22 ARG CB C 13 29.572 0.1 . 1 . . . . 220 ARG CB . 15635 1 1453 . 3 1 22 22 ARG CD C 13 44.132 0.1 . 1 . . . . 220 ARG CD . 15635 1 1454 . 3 1 22 22 ARG CG C 13 26.984 0.1 . 1 . . . . 220 ARG CG . 15635 1 1455 . 3 1 22 22 ARG N N 15 124.365 0.1 . 1 . . . . 220 ARG N . 15635 1 1456 . 3 1 23 23 ALA H H 1 8.120 0.020 . 1 . . . . 221 ALA H . 15635 1 1457 . 3 1 23 23 ALA HA H 1 4.060 0.020 . 1 . . . . 221 ALA HA . 15635 1 1458 . 3 1 23 23 ALA HB1 H 1 1.309 0.020 . 1 . . . . 221 ALA QB . 15635 1 1459 . 3 1 23 23 ALA HB2 H 1 1.309 0.020 . 1 . . . . 221 ALA QB . 15635 1 1460 . 3 1 23 23 ALA HB3 H 1 1.309 0.020 . 1 . . . . 221 ALA QB . 15635 1 1461 . 3 1 23 23 ALA C C 13 178.000 0.1 . 1 . . . . 221 ALA C . 15635 1 1462 . 3 1 23 23 ALA CA C 13 54.100 0.1 . 1 . . . . 221 ALA CA . 15635 1 1463 . 3 1 23 23 ALA CB C 13 18.713 0.1 . 1 . . . . 221 ALA CB . 15635 1 1464 . 3 1 23 23 ALA N N 15 117.156 0.1 . 1 . . . . 221 ALA N . 15635 1 1465 . 3 1 24 24 ASN H H 1 7.717 0.004 . 1 . . . . 222 ASN H . 15635 1 1466 . 3 1 24 24 ASN HA H 1 5.010 0.003 . 1 . . . . 222 ASN HA . 15635 1 1467 . 3 1 24 24 ASN HB2 H 1 3.087 0.020 . 2 . . . . 222 ASN HB2 . 15635 1 1468 . 3 1 24 24 ASN HB3 H 1 2.663 0.020 . 2 . . . . 222 ASN HB3 . 15635 1 1469 . 3 1 24 24 ASN HD21 H 1 7.590 0.020 . 2 . . . . 222 ASN HD21 . 15635 1 1470 . 3 1 24 24 ASN HD22 H 1 7.089 0.020 . 2 . . . . 222 ASN HD22 . 15635 1 1471 . 3 1 24 24 ASN C C 13 174.938 0.1 . 1 . . . . 222 ASN C . 15635 1 1472 . 3 1 24 24 ASN CA C 13 52.869 0.1 . 1 . . . . 222 ASN CA . 15635 1 1473 . 3 1 24 24 ASN CB C 13 40.573 0.1 . 1 . . . . 222 ASN CB . 15635 1 1474 . 3 1 24 24 ASN N N 15 112.819 0.1 . 1 . . . . 222 ASN N . 15635 1 1475 . 3 1 24 24 ASN ND2 N 15 111.993 0.019 . 1 . . . . 222 ASN ND2 . 15635 1 1476 . 3 1 25 25 VAL H H 1 7.489 0.005 . 1 . . . . 223 VAL H . 15635 1 1477 . 3 1 25 25 VAL HA H 1 4.888 0.020 . 1 . . . . 223 VAL HA . 15635 1 1478 . 3 1 25 25 VAL HB H 1 1.756 0.001 . 1 . . . . 223 VAL HB . 15635 1 1479 . 3 1 25 25 VAL HG11 H 1 0.899 0.020 . 2 . . . . 223 VAL QG1 . 15635 1 1480 . 3 1 25 25 VAL HG12 H 1 0.899 0.020 . 2 . . . . 223 VAL QG1 . 15635 1 1481 . 3 1 25 25 VAL HG13 H 1 0.899 0.020 . 2 . . . . 223 VAL QG1 . 15635 1 1482 . 3 1 25 25 VAL HG21 H 1 0.763 0.020 . 2 . . . . 223 VAL QG2 . 15635 1 1483 . 3 1 25 25 VAL HG22 H 1 0.763 0.020 . 2 . . . . 223 VAL QG2 . 15635 1 1484 . 3 1 25 25 VAL HG23 H 1 0.763 0.020 . 2 . . . . 223 VAL QG2 . 15635 1 1485 . 3 1 25 25 VAL C C 13 175.829 0.1 . 1 . . . . 223 VAL C . 15635 1 1486 . 3 1 25 25 VAL CA C 13 59.870 0.1 . 1 . . . . 223 VAL CA . 15635 1 1487 . 3 1 25 25 VAL CB C 13 35.396 0.1 . 1 . . . . 223 VAL CB . 15635 1 1488 . 3 1 25 25 VAL CG1 C 13 22.432 0.1 . 1 . . . . 223 VAL CG1 . 15635 1 1489 . 3 1 25 25 VAL CG2 C 13 21.807 0.1 . 1 . . . . 223 VAL CG2 . 15635 1 1490 . 3 1 25 25 VAL N N 15 119.721 0.1 . 1 . . . . 223 VAL N . 15635 1 1491 . 3 1 26 26 LYS H H 1 9.479 0.009 . 1 . . . . 224 LYS H . 15635 1 1492 . 3 1 26 26 LYS HA H 1 4.353 0.004 . 1 . . . . 224 LYS HA . 15635 1 1493 . 3 1 26 26 LYS HB2 H 1 1.690 0.020 . 2 . . . . 224 LYS HB2 . 15635 1 1494 . 3 1 26 26 LYS HB3 H 1 1.307 0.020 . 2 . . . . 224 LYS HB3 . 15635 1 1495 . 3 1 26 26 LYS HD2 H 1 1.659 0.020 . 2 . . . . 224 LYS HD2 . 15635 1 1496 . 3 1 26 26 LYS HD3 H 1 1.659 0.020 . 2 . . . . 224 LYS HD3 . 15635 1 1497 . 3 1 26 26 LYS HE2 H 1 3.031 0.020 . 2 . . . . 224 LYS HE2 . 15635 1 1498 . 3 1 26 26 LYS HE3 H 1 3.031 0.020 . 2 . . . . 224 LYS HE3 . 15635 1 1499 . 3 1 26 26 LYS HG2 H 1 1.398 0.020 . 2 . . . . 224 LYS HG2 . 15635 1 1500 . 3 1 26 26 LYS HG3 H 1 1.343 0.020 . 2 . . . . 224 LYS HG3 . 15635 1 1501 . 3 1 26 26 LYS C C 13 176.606 0.1 . 1 . . . . 224 LYS C . 15635 1 1502 . 3 1 26 26 LYS CA C 13 58.977 0.1 . 1 . . . . 224 LYS CA . 15635 1 1503 . 3 1 26 26 LYS CB C 13 34.567 0.1 . 1 . . . . 224 LYS CB . 15635 1 1504 . 3 1 26 26 LYS CD C 13 30.359 0.1 . 1 . . . . 224 LYS CD . 15635 1 1505 . 3 1 26 26 LYS CE C 13 42.191 0.1 . 1 . . . . 224 LYS CE . 15635 1 1506 . 3 1 26 26 LYS CG C 13 25.759 0.1 . 1 . . . . 224 LYS CG . 15635 1 1507 . 3 1 26 26 LYS N N 15 127.843 0.1 . 1 . . . . 224 LYS N . 15635 1 1508 . 3 1 27 27 HIS H H 1 7.237 0.003 . 1 . . . . 225 HIS H . 15635 1 1509 . 3 1 27 27 HIS HA H 1 4.979 0.020 . 1 . . . . 225 HIS HA . 15635 1 1510 . 3 1 27 27 HIS HB2 H 1 3.608 0.020 . 2 . . . . 225 HIS HB2 . 15635 1 1511 . 3 1 27 27 HIS HB3 H 1 3.118 0.020 . 2 . . . . 225 HIS HB3 . 15635 1 1512 . 3 1 27 27 HIS HD2 H 1 6.608 0.020 . 1 . . . . 225 HIS HD2 . 15635 1 1513 . 3 1 27 27 HIS HE1 H 1 7.804 0.020 . 1 . . . . 225 HIS HE1 . 15635 1 1514 . 3 1 27 27 HIS C C 13 178.434 0.1 . 1 . . . . 225 HIS C . 15635 1 1515 . 3 1 27 27 HIS CA C 13 55.406 0.1 . 1 . . . . 225 HIS CA . 15635 1 1516 . 3 1 27 27 HIS CB C 13 32.480 0.1 . 1 . . . . 225 HIS CB . 15635 1 1517 . 3 1 27 27 HIS CD2 C 13 121.435 0.1 . 1 . . . . 225 HIS CD2 . 15635 1 1518 . 3 1 27 27 HIS CE1 C 13 138.518 0.1 . 1 . . . . 225 HIS CE1 . 15635 1 1519 . 3 1 27 27 HIS N N 15 109.556 0.1 . 1 . . . . 225 HIS N . 15635 1 1520 . 3 1 28 28 LEU H H 1 8.189 0.002 . 1 . . . . 226 LEU H . 15635 1 1521 . 3 1 28 28 LEU HA H 1 5.190 0.020 . 1 . . . . 226 LEU HA . 15635 1 1522 . 3 1 28 28 LEU HB2 H 1 1.708 0.020 . 2 . . . . 226 LEU HB2 . 15635 1 1523 . 3 1 28 28 LEU HB3 H 1 1.272 0.020 . 2 . . . . 226 LEU HB3 . 15635 1 1524 . 3 1 28 28 LEU HD11 H 1 0.578 0.003 . 2 . . . . 226 LEU QD1 . 15635 1 1525 . 3 1 28 28 LEU HD12 H 1 0.578 0.003 . 2 . . . . 226 LEU QD1 . 15635 1 1526 . 3 1 28 28 LEU HD13 H 1 0.578 0.003 . 2 . . . . 226 LEU QD1 . 15635 1 1527 . 3 1 28 28 LEU HD21 H 1 0.792 0.002 . 2 . . . . 226 LEU QD2 . 15635 1 1528 . 3 1 28 28 LEU HD22 H 1 0.792 0.002 . 2 . . . . 226 LEU QD2 . 15635 1 1529 . 3 1 28 28 LEU HD23 H 1 0.792 0.002 . 2 . . . . 226 LEU QD2 . 15635 1 1530 . 3 1 28 28 LEU HG H 1 1.491 0.020 . 1 . . . . 226 LEU HG . 15635 1 1531 . 3 1 28 28 LEU C C 13 175.510 0.1 . 1 . . . . 226 LEU C . 15635 1 1532 . 3 1 28 28 LEU CA C 13 53.480 0.1 . 1 . . . . 226 LEU CA . 15635 1 1533 . 3 1 28 28 LEU CB C 13 45.235 0.1 . 1 . . . . 226 LEU CB . 15635 1 1534 . 3 1 28 28 LEU CD1 C 13 26.013 0.1 . 1 . . . . 226 LEU CD1 . 15635 1 1535 . 3 1 28 28 LEU CD2 C 13 24.187 0.1 . 1 . . . . 226 LEU CD2 . 15635 1 1536 . 3 1 28 28 LEU CG C 13 26.653 0.1 . 1 . . . . 226 LEU CG . 15635 1 1537 . 3 1 28 28 LEU N N 15 117.260 0.1 . 1 . . . . 226 LEU N . 15635 1 1538 . 3 1 29 29 LYS H H 1 9.572 0.005 . 1 . . . . 227 LYS H . 15635 1 1539 . 3 1 29 29 LYS HA H 1 5.372 0.020 . 1 . . . . 227 LYS HA . 15635 1 1540 . 3 1 29 29 LYS HB2 H 1 1.579 0.003 . 2 . . . . 227 LYS HB2 . 15635 1 1541 . 3 1 29 29 LYS HB3 H 1 1.579 0.003 . 2 . . . . 227 LYS HB3 . 15635 1 1542 . 3 1 29 29 LYS HD2 H 1 1.032 0.020 . 2 . . . . 227 LYS HD2 . 15635 1 1543 . 3 1 29 29 LYS HD3 H 1 0.991 0.020 . 2 . . . . 227 LYS HD3 . 15635 1 1544 . 3 1 29 29 LYS HE2 H 1 2.565 0.020 . 2 . . . . 227 LYS HE2 . 15635 1 1545 . 3 1 29 29 LYS HE3 H 1 2.421 0.020 . 2 . . . . 227 LYS HE3 . 15635 1 1546 . 3 1 29 29 LYS HG2 H 1 1.028 0.020 . 2 . . . . 227 LYS HG2 . 15635 1 1547 . 3 1 29 29 LYS HG3 H 1 1.274 0.020 . 2 . . . . 227 LYS HG3 . 15635 1 1548 . 3 1 29 29 LYS C C 13 174.801 0.1 . 1 . . . . 227 LYS C . 15635 1 1549 . 3 1 29 29 LYS CA C 13 55.165 0.1 . 1 . . . . 227 LYS CA . 15635 1 1550 . 3 1 29 29 LYS CB C 13 35.253 0.1 . 1 . . . . 227 LYS CB . 15635 1 1551 . 3 1 29 29 LYS CD C 13 29.925 0.1 . 1 . . . . 227 LYS CD . 15635 1 1552 . 3 1 29 29 LYS CE C 13 41.402 0.1 . 1 . . . . 227 LYS CE . 15635 1 1553 . 3 1 29 29 LYS CG C 13 25.559 0.1 . 1 . . . . 227 LYS CG . 15635 1 1554 . 3 1 29 29 LYS N N 15 123.488 0.1 . 1 . . . . 227 LYS N . 15635 1 1555 . 3 1 30 30 ILE H H 1 9.136 0.005 . 1 . . . . 228 ILE H . 15635 1 1556 . 3 1 30 30 ILE HA H 1 4.926 0.005 . 1 . . . . 228 ILE HA . 15635 1 1557 . 3 1 30 30 ILE HB H 1 1.858 0.020 . 1 . . . . 228 ILE HB . 15635 1 1558 . 3 1 30 30 ILE HD11 H 1 0.784 0.020 . 1 . . . . 228 ILE QD1 . 15635 1 1559 . 3 1 30 30 ILE HD12 H 1 0.784 0.020 . 1 . . . . 228 ILE QD1 . 15635 1 1560 . 3 1 30 30 ILE HD13 H 1 0.784 0.020 . 1 . . . . 228 ILE QD1 . 15635 1 1561 . 3 1 30 30 ILE HG12 H 1 1.513 0.020 . 2 . . . . 228 ILE HG12 . 15635 1 1562 . 3 1 30 30 ILE HG13 H 1 1.513 0.020 . 2 . . . . 228 ILE HG13 . 15635 1 1563 . 3 1 30 30 ILE HG21 H 1 0.962 0.020 . 1 . . . . 228 ILE QG2 . 15635 1 1564 . 3 1 30 30 ILE HG22 H 1 0.962 0.020 . 1 . . . . 228 ILE QG2 . 15635 1 1565 . 3 1 30 30 ILE HG23 H 1 0.962 0.020 . 1 . . . . 228 ILE QG2 . 15635 1 1566 . 3 1 30 30 ILE C C 13 176.949 0.1 . 1 . . . . 228 ILE C . 15635 1 1567 . 3 1 30 30 ILE CA C 13 60.542 0.1 . 1 . . . . 228 ILE CA . 15635 1 1568 . 3 1 30 30 ILE CB C 13 39.600 0.1 . 1 . . . . 228 ILE CB . 15635 1 1569 . 3 1 30 30 ILE CD1 C 13 14.041 0.1 . 1 . . . . 228 ILE CD1 . 15635 1 1570 . 3 1 30 30 ILE CG1 C 13 27.631 0.1 . 1 . . . . 228 ILE CG1 . 15635 1 1571 . 3 1 30 30 ILE CG2 C 13 18.698 0.1 . 1 . . . . 228 ILE CG2 . 15635 1 1572 . 3 1 30 30 ILE N N 15 123.846 0.1 . 1 . . . . 228 ILE N . 15635 1 1573 . 3 1 31 31 LEU H H 1 8.830 0.020 . 1 . . . . 229 LEU H . 15635 1 1574 . 3 1 31 31 LEU HA H 1 4.535 0.020 . 1 . . . . 229 LEU HA . 15635 1 1575 . 3 1 31 31 LEU HB2 H 1 2.338 0.020 . 2 . . . . 229 LEU HB2 . 15635 1 1576 . 3 1 31 31 LEU HB3 H 1 1.958 0.003 . 2 . . . . 229 LEU HB3 . 15635 1 1577 . 3 1 31 31 LEU HD11 H 1 0.888 0.020 . 2 . . . . 229 LEU QD1 . 15635 1 1578 . 3 1 31 31 LEU HD12 H 1 0.888 0.020 . 2 . . . . 229 LEU QD1 . 15635 1 1579 . 3 1 31 31 LEU HD13 H 1 0.888 0.020 . 2 . . . . 229 LEU QD1 . 15635 1 1580 . 3 1 31 31 LEU HD21 H 1 0.823 0.020 . 2 . . . . 229 LEU QD2 . 15635 1 1581 . 3 1 31 31 LEU HD22 H 1 0.823 0.020 . 2 . . . . 229 LEU QD2 . 15635 1 1582 . 3 1 31 31 LEU HD23 H 1 0.823 0.020 . 2 . . . . 229 LEU QD2 . 15635 1 1583 . 3 1 31 31 LEU C C 13 176.012 0.1 . 1 . . . . 229 LEU C . 15635 1 1584 . 3 1 31 31 LEU CA C 13 55.366 0.1 . 1 . . . . 229 LEU CA . 15635 1 1585 . 3 1 31 31 LEU CB C 13 43.180 0.1 . 1 . . . . 229 LEU CB . 15635 1 1586 . 3 1 31 31 LEU CD1 C 13 25.808 0.1 . 1 . . . . 229 LEU CD1 . 15635 1 1587 . 3 1 31 31 LEU CD2 C 13 23.425 0.1 . 1 . . . . 229 LEU CD2 . 15635 1 1588 . 3 1 31 31 LEU N N 15 128.649 0.1 . 1 . . . . 229 LEU N . 15635 1 1589 . 3 1 32 32 ASN H H 1 8.216 0.006 . 1 . . . . 230 ASN H . 15635 1 1590 . 3 1 32 32 ASN HA H 1 5.013 0.020 . 1 . . . . 230 ASN HA . 15635 1 1591 . 3 1 32 32 ASN HB2 H 1 2.907 0.020 . 2 . . . . 230 ASN HB2 . 15635 1 1592 . 3 1 32 32 ASN HB3 H 1 2.368 0.020 . 2 . . . . 230 ASN HB3 . 15635 1 1593 . 3 1 32 32 ASN HD21 H 1 7.606 0.020 . 2 . . . . 230 ASN HD21 . 15635 1 1594 . 3 1 32 32 ASN HD22 H 1 6.266 0.020 . 2 . . . . 230 ASN HD22 . 15635 1 1595 . 3 1 32 32 ASN C C 13 174.664 0.1 . 1 . . . . 230 ASN C . 15635 1 1596 . 3 1 32 32 ASN CA C 13 52.517 0.1 . 1 . . . . 230 ASN CA . 15635 1 1597 . 3 1 32 32 ASN CB C 13 38.776 0.1 . 1 . . . . 230 ASN CB . 15635 1 1598 . 3 1 32 32 ASN N N 15 120.791 0.1 . 1 . . . . 230 ASN N . 15635 1 1599 . 3 1 32 32 ASN ND2 N 15 111.738 0.1 . 1 . . . . 230 ASN ND2 . 15635 1 1600 . 3 1 33 33 THR H H 1 7.883 0.020 . 1 . . . . 231 THR H . 15635 1 1601 . 3 1 33 33 THR HA H 1 4.842 0.002 . 1 . . . . 231 THR HA . 15635 1 1602 . 3 1 33 33 THR HB H 1 4.196 0.002 . 1 . . . . 231 THR HB . 15635 1 1603 . 3 1 33 33 THR HG21 H 1 1.175 0.020 . 1 . . . . 231 THR QG2 . 15635 1 1604 . 3 1 33 33 THR HG22 H 1 1.175 0.020 . 1 . . . . 231 THR QG2 . 15635 1 1605 . 3 1 33 33 THR HG23 H 1 1.175 0.020 . 1 . . . . 231 THR QG2 . 15635 1 1606 . 3 1 33 33 THR CA C 13 58.369 0.1 . 1 . . . . 231 THR CA . 15635 1 1607 . 3 1 33 33 THR CB C 13 70.018 0.1 . 1 . . . . 231 THR CB . 15635 1 1608 . 3 1 33 33 THR CG2 C 13 22.130 0.1 . 1 . . . . 231 THR CG2 . 15635 1 1609 . 3 1 33 33 THR N N 15 115.811 0.1 . 1 . . . . 231 THR N . 15635 1 1610 . 3 1 34 34 PRO HA H 1 4.317 0.020 . 1 . . . . 232 PRO HA . 15635 1 1611 . 3 1 34 34 PRO HB2 H 1 1.866 0.020 . 2 . . . . 232 PRO HB2 . 15635 1 1612 . 3 1 34 34 PRO HB3 H 1 2.334 0.001 . 2 . . . . 232 PRO HB3 . 15635 1 1613 . 3 1 34 34 PRO HD2 H 1 3.777 0.004 . 2 . . . . 232 PRO HD2 . 15635 1 1614 . 3 1 34 34 PRO HD3 H 1 3.777 0.004 . 2 . . . . 232 PRO HD3 . 15635 1 1615 . 3 1 34 34 PRO HG2 H 1 2.020 0.020 . 2 . . . . 232 PRO HG2 . 15635 1 1616 . 3 1 34 34 PRO HG3 H 1 2.020 0.020 . 2 . . . . 232 PRO HG3 . 15635 1 1617 . 3 1 34 34 PRO CA C 13 65.164 0.1 . 1 . . . . 232 PRO CA . 15635 1 1618 . 3 1 34 34 PRO CB C 13 32.484 0.1 . 1 . . . . 232 PRO CB . 15635 1 1619 . 3 1 34 34 PRO CD C 13 51.251 0.1 . 1 . . . . 232 PRO CD . 15635 1 1620 . 3 1 34 34 PRO CG C 13 27.631 0.1 . 1 . . . . 232 PRO CG . 15635 1 1621 . 3 1 35 35 ASN H H 1 8.254 0.020 . 1 . . . . 233 ASN H . 15635 1 1622 . 3 1 35 35 ASN HA H 1 4.651 0.020 . 1 . . . . 233 ASN HA . 15635 1 1623 . 3 1 35 35 ASN HB2 H 1 2.761 0.020 . 2 . . . . 233 ASN HB2 . 15635 1 1624 . 3 1 35 35 ASN HB3 H 1 2.761 0.020 . 2 . . . . 233 ASN HB3 . 15635 1 1625 . 3 1 35 35 ASN HD21 H 1 7.570 0.020 . 2 . . . . 233 ASN HD21 . 15635 1 1626 . 3 1 35 35 ASN HD22 H 1 6.892 0.020 . 2 . . . . 233 ASN HD22 . 15635 1 1627 . 3 1 35 35 ASN C C 13 174.710 0.1 . 1 . . . . 233 ASN C . 15635 1 1628 . 3 1 35 35 ASN CA C 13 54.532 0.1 . 1 . . . . 233 ASN CA . 15635 1 1629 . 3 1 35 35 ASN CB C 13 39.167 0.1 . 1 . . . . 233 ASN CB . 15635 1 1630 . 3 1 35 35 ASN N N 15 120.081 0.1 . 1 . . . . 233 ASN N . 15635 1 1631 . 3 1 35 35 ASN ND2 N 15 112.472 0.1 . 1 . . . . 233 ASN ND2 . 15635 1 1632 . 3 1 36 36 CYS H H 1 7.548 0.020 . 1 . . . . 234 CYS H . 15635 1 1633 . 3 1 36 36 CYS HA H 1 4.694 0.007 . 1 . . . . 234 CYS HA . 15635 1 1634 . 3 1 36 36 CYS HB2 H 1 3.119 0.020 . 2 . . . . 234 CYS HB2 . 15635 1 1635 . 3 1 36 36 CYS HB3 H 1 3.006 0.020 . 2 . . . . 234 CYS HB3 . 15635 1 1636 . 3 1 36 36 CYS C C 13 173.865 0.1 . 1 . . . . 234 CYS C . 15635 1 1637 . 3 1 36 36 CYS CA C 13 55.447 0.1 . 1 . . . . 234 CYS CA . 15635 1 1638 . 3 1 36 36 CYS CB C 13 45.228 0.1 . 1 . . . . 234 CYS CB . 15635 1 1639 . 3 1 36 36 CYS N N 15 117.076 0.1 . 1 . . . . 234 CYS N . 15635 1 1640 . 3 1 37 37 ALA H H 1 8.472 0.020 . 1 . . . . 235 ALA H . 15635 1 1641 . 3 1 37 37 ALA HA H 1 4.236 0.020 . 1 . . . . 235 ALA HA . 15635 1 1642 . 3 1 37 37 ALA HB1 H 1 1.449 0.020 . 1 . . . . 235 ALA QB . 15635 1 1643 . 3 1 37 37 ALA HB2 H 1 1.449 0.020 . 1 . . . . 235 ALA QB . 15635 1 1644 . 3 1 37 37 ALA HB3 H 1 1.449 0.020 . 1 . . . . 235 ALA QB . 15635 1 1645 . 3 1 37 37 ALA C C 13 176.423 0.1 . 1 . . . . 235 ALA C . 15635 1 1646 . 3 1 37 37 ALA CA C 13 53.537 0.1 . 1 . . . . 235 ALA CA . 15635 1 1647 . 3 1 37 37 ALA CB C 13 19.202 0.1 . 1 . . . . 235 ALA CB . 15635 1 1648 . 3 1 37 37 ALA N N 15 125.153 0.1 . 1 . . . . 235 ALA N . 15635 1 1649 . 3 1 38 38 CYS H H 1 8.316 0.002 . 1 . . . . 236 CYS H . 15635 1 1650 . 3 1 38 38 CYS HA H 1 4.196 0.020 . 1 . . . . 236 CYS HA . 15635 1 1651 . 3 1 38 38 CYS HB2 H 1 3.462 0.020 . 2 . . . . 236 CYS HB2 . 15635 1 1652 . 3 1 38 38 CYS HB3 H 1 2.659 0.003 . 2 . . . . 236 CYS HB3 . 15635 1 1653 . 3 1 38 38 CYS C C 13 173.705 0.1 . 1 . . . . 236 CYS C . 15635 1 1654 . 3 1 38 38 CYS CA C 13 58.616 0.1 . 1 . . . . 236 CYS CA . 15635 1 1655 . 3 1 38 38 CYS CB C 13 45.705 0.1 . 1 . . . . 236 CYS CB . 15635 1 1656 . 3 1 38 38 CYS N N 15 118.837 0.1 . 1 . . . . 236 CYS N . 15635 1 1657 . 3 1 39 39 GLN H H 1 8.921 0.009 . 1 . . . . 237 GLN H . 15635 1 1658 . 3 1 39 39 GLN HA H 1 4.609 0.020 . 1 . . . . 237 GLN HA . 15635 1 1659 . 3 1 39 39 GLN HB2 H 1 2.328 0.020 . 2 . . . . 237 GLN HB2 . 15635 1 1660 . 3 1 39 39 GLN HB3 H 1 2.328 0.020 . 2 . . . . 237 GLN HB3 . 15635 1 1661 . 3 1 39 39 GLN HE21 H 1 7.264 0.010 . 2 . . . . 237 GLN HE21 . 15635 1 1662 . 3 1 39 39 GLN HE22 H 1 6.891 0.013 . 2 . . . . 237 GLN HE22 . 15635 1 1663 . 3 1 39 39 GLN HG2 H 1 2.557 0.020 . 2 . . . . 237 GLN HG2 . 15635 1 1664 . 3 1 39 39 GLN HG3 H 1 2.557 0.020 . 2 . . . . 237 GLN HG3 . 15635 1 1665 . 3 1 39 39 GLN C C 13 173.636 0.1 . 1 . . . . 237 GLN C . 15635 1 1666 . 3 1 39 39 GLN CA C 13 54.603 0.1 . 1 . . . . 237 GLN CA . 15635 1 1667 . 3 1 39 39 GLN CB C 13 31.761 0.1 . 1 . . . . 237 GLN CB . 15635 1 1668 . 3 1 39 39 GLN CG C 13 34.722 0.1 . 1 . . . . 237 GLN CG . 15635 1 1669 . 3 1 39 39 GLN N N 15 128.567 0.1 . 1 . . . . 237 GLN N . 15635 1 1670 . 3 1 39 39 GLN NE2 N 15 112.756 0.006 . 1 . . . . 237 GLN NE2 . 15635 1 1671 . 3 1 40 40 ILE H H 1 8.893 0.003 . 1 . . . . 238 ILE H . 15635 1 1672 . 3 1 40 40 ILE HA H 1 5.068 0.020 . 1 . . . . 238 ILE HA . 15635 1 1673 . 3 1 40 40 ILE HB H 1 1.790 0.020 . 1 . . . . 238 ILE HB . 15635 1 1674 . 3 1 40 40 ILE HD11 H 1 0.722 0.020 . 1 . . . . 238 ILE QD1 . 15635 1 1675 . 3 1 40 40 ILE HD12 H 1 0.722 0.020 . 1 . . . . 238 ILE QD1 . 15635 1 1676 . 3 1 40 40 ILE HD13 H 1 0.722 0.020 . 1 . . . . 238 ILE QD1 . 15635 1 1677 . 3 1 40 40 ILE HG12 H 1 1.814 0.020 . 2 . . . . 238 ILE HG12 . 15635 1 1678 . 3 1 40 40 ILE HG13 H 1 1.814 0.020 . 2 . . . . 238 ILE HG13 . 15635 1 1679 . 3 1 40 40 ILE HG21 H 1 0.755 0.020 . 1 . . . . 238 ILE QG2 . 15635 1 1680 . 3 1 40 40 ILE HG22 H 1 0.755 0.020 . 1 . . . . 238 ILE QG2 . 15635 1 1681 . 3 1 40 40 ILE HG23 H 1 0.755 0.020 . 1 . . . . 238 ILE QG2 . 15635 1 1682 . 3 1 40 40 ILE C C 13 174.390 0.1 . 1 . . . . 238 ILE C . 15635 1 1683 . 3 1 40 40 ILE CA C 13 60.582 0.1 . 1 . . . . 238 ILE CA . 15635 1 1684 . 3 1 40 40 ILE CB C 13 40.048 0.1 . 1 . . . . 238 ILE CB . 15635 1 1685 . 3 1 40 40 ILE CD1 C 13 14.371 0.1 . 1 . . . . 238 ILE CD1 . 15635 1 1686 . 3 1 40 40 ILE CG1 C 13 28.278 0.1 . 1 . . . . 238 ILE CG1 . 15635 1 1687 . 3 1 40 40 ILE CG2 C 13 19.218 0.1 . 1 . . . . 238 ILE CG2 . 15635 1 1688 . 3 1 40 40 ILE N N 15 123.962 0.1 . 1 . . . . 238 ILE N . 15635 1 1689 . 3 1 41 41 VAL H H 1 9.120 0.005 . 1 . . . . 239 VAL H . 15635 1 1690 . 3 1 41 41 VAL HA H 1 4.845 0.020 . 1 . . . . 239 VAL HA . 15635 1 1691 . 3 1 41 41 VAL HB H 1 2.177 0.020 . 1 . . . . 239 VAL HB . 15635 1 1692 . 3 1 41 41 VAL HG11 H 1 0.896 0.020 . 2 . . . . 239 VAL QG1 . 15635 1 1693 . 3 1 41 41 VAL HG12 H 1 0.896 0.020 . 2 . . . . 239 VAL QG1 . 15635 1 1694 . 3 1 41 41 VAL HG13 H 1 0.896 0.020 . 2 . . . . 239 VAL QG1 . 15635 1 1695 . 3 1 41 41 VAL HG21 H 1 0.950 0.020 . 2 . . . . 239 VAL QG2 . 15635 1 1696 . 3 1 41 41 VAL HG22 H 1 0.950 0.020 . 2 . . . . 239 VAL QG2 . 15635 1 1697 . 3 1 41 41 VAL HG23 H 1 0.950 0.020 . 2 . . . . 239 VAL QG2 . 15635 1 1698 . 3 1 41 41 VAL C C 13 175.487 0.1 . 1 . . . . 239 VAL C . 15635 1 1699 . 3 1 41 41 VAL CA C 13 59.980 0.1 . 1 . . . . 239 VAL CA . 15635 1 1700 . 3 1 41 41 VAL CB C 13 35.868 0.1 . 1 . . . . 239 VAL CB . 15635 1 1701 . 3 1 41 41 VAL CG1 C 13 21.807 0.1 . 1 . . . . 239 VAL CG1 . 15635 1 1702 . 3 1 41 41 VAL CG2 C 13 21.745 0.1 . 1 . . . . 239 VAL CG2 . 15635 1 1703 . 3 1 41 41 VAL N N 15 126.354 0.1 . 1 . . . . 239 VAL N . 15635 1 1704 . 3 1 42 42 ALA H H 1 9.513 0.020 . 1 . . . . 240 ALA H . 15635 1 1705 . 3 1 42 42 ALA HA H 1 5.154 0.001 . 1 . . . . 240 ALA HA . 15635 1 1706 . 3 1 42 42 ALA HB1 H 1 1.342 0.003 . 1 . . . . 240 ALA QB . 15635 1 1707 . 3 1 42 42 ALA HB2 H 1 1.342 0.003 . 1 . . . . 240 ALA QB . 15635 1 1708 . 3 1 42 42 ALA HB3 H 1 1.342 0.003 . 1 . . . . 240 ALA QB . 15635 1 1709 . 3 1 42 42 ALA C C 13 175.944 0.1 . 1 . . . . 240 ALA C . 15635 1 1710 . 3 1 42 42 ALA CA C 13 50.591 0.1 . 1 . . . . 240 ALA CA . 15635 1 1711 . 3 1 42 42 ALA CB C 13 22.432 0.1 . 1 . . . . 240 ALA CB . 15635 1 1712 . 3 1 42 42 ALA N N 15 128.406 0.1 . 1 . . . . 240 ALA N . 15635 1 1713 . 3 1 43 43 ARG H H 1 7.717 0.005 . 1 . . . . 241 ARG H . 15635 1 1714 . 3 1 43 43 ARG HA H 1 4.979 0.005 . 1 . . . . 241 ARG HA . 15635 1 1715 . 3 1 43 43 ARG HB2 H 1 1.454 0.020 . 2 . . . . 241 ARG HB2 . 15635 1 1716 . 3 1 43 43 ARG HB3 H 1 1.454 0.020 . 2 . . . . 241 ARG HB3 . 15635 1 1717 . 3 1 43 43 ARG HD2 H 1 3.097 0.020 . 2 . . . . 241 ARG HD2 . 15635 1 1718 . 3 1 43 43 ARG HD3 H 1 3.097 0.020 . 2 . . . . 241 ARG HD3 . 15635 1 1719 . 3 1 43 43 ARG HG2 H 1 1.379 0.020 . 2 . . . . 241 ARG HG2 . 15635 1 1720 . 3 1 43 43 ARG HG3 H 1 1.379 0.020 . 2 . . . . 241 ARG HG3 . 15635 1 1721 . 3 1 43 43 ARG C C 13 175.510 0.1 . 1 . . . . 241 ARG C . 15635 1 1722 . 3 1 43 43 ARG CA C 13 54.162 0.1 . 1 . . . . 241 ARG CA . 15635 1 1723 . 3 1 43 43 ARG CB C 13 31.200 0.1 . 1 . . . . 241 ARG CB . 15635 1 1724 . 3 1 43 43 ARG CD C 13 42.649 0.1 . 1 . . . . 241 ARG CD . 15635 1 1725 . 3 1 43 43 ARG CG C 13 27.631 0.1 . 1 . . . . 241 ARG CG . 15635 1 1726 . 3 1 43 43 ARG N N 15 121.663 0.1 . 1 . . . . 241 ARG N . 15635 1 1727 . 3 1 44 44 LEU H H 1 9.163 0.002 . 1 . . . . 242 LEU H . 15635 1 1728 . 3 1 44 44 LEU HA H 1 5.033 0.020 . 1 . . . . 242 LEU HA . 15635 1 1729 . 3 1 44 44 LEU HB2 H 1 1.770 0.020 . 2 . . . . 242 LEU HB2 . 15635 1 1730 . 3 1 44 44 LEU HB3 H 1 2.207 0.020 . 2 . . . . 242 LEU HB3 . 15635 1 1731 . 3 1 44 44 LEU HD11 H 1 1.018 0.020 . 2 . . . . 242 LEU QD1 . 15635 1 1732 . 3 1 44 44 LEU HD12 H 1 1.018 0.020 . 2 . . . . 242 LEU QD1 . 15635 1 1733 . 3 1 44 44 LEU HD13 H 1 1.018 0.020 . 2 . . . . 242 LEU QD1 . 15635 1 1734 . 3 1 44 44 LEU HD21 H 1 0.809 0.020 . 2 . . . . 242 LEU QD2 . 15635 1 1735 . 3 1 44 44 LEU HD22 H 1 0.809 0.020 . 2 . . . . 242 LEU QD2 . 15635 1 1736 . 3 1 44 44 LEU HD23 H 1 0.809 0.020 . 2 . . . . 242 LEU QD2 . 15635 1 1737 . 3 1 44 44 LEU HG H 1 1.814 0.001 . 1 . . . . 242 LEU HG . 15635 1 1738 . 3 1 44 44 LEU C C 13 177.840 0.1 . 1 . . . . 242 LEU C . 15635 1 1739 . 3 1 44 44 LEU CA C 13 54.724 0.1 . 1 . . . . 242 LEU CA . 15635 1 1740 . 3 1 44 44 LEU CB C 13 41.712 0.1 . 1 . . . . 242 LEU CB . 15635 1 1741 . 3 1 44 44 LEU CD1 C 13 25.759 0.1 . 1 . . . . 242 LEU CD1 . 15635 1 1742 . 3 1 44 44 LEU CD2 C 13 23.452 0.1 . 1 . . . . 242 LEU CD2 . 15635 1 1743 . 3 1 44 44 LEU CG C 13 27.815 0.1 . 1 . . . . 242 LEU CG . 15635 1 1744 . 3 1 44 44 LEU N N 15 129.087 0.1 . 1 . . . . 242 LEU N . 15635 1 1745 . 3 1 45 45 LYS H H 1 8.417 0.005 . 1 . . . . 243 LYS H . 15635 1 1746 . 3 1 45 45 LYS HA H 1 3.950 0.020 . 1 . . . . 243 LYS HA . 15635 1 1747 . 3 1 45 45 LYS HB2 H 1 1.900 0.020 . 2 . . . . 243 LYS HB2 . 15635 1 1748 . 3 1 45 45 LYS HB3 H 1 1.708 0.002 . 2 . . . . 243 LYS HB3 . 15635 1 1749 . 3 1 45 45 LYS HD2 H 1 1.656 0.020 . 2 . . . . 243 LYS HD2 . 15635 1 1750 . 3 1 45 45 LYS HD3 H 1 1.740 0.020 . 2 . . . . 243 LYS HD3 . 15635 1 1751 . 3 1 45 45 LYS HE2 H 1 3.054 0.005 . 2 . . . . 243 LYS HE2 . 15635 1 1752 . 3 1 45 45 LYS HE3 H 1 3.054 0.005 . 2 . . . . 243 LYS HE3 . 15635 1 1753 . 3 1 45 45 LYS HG2 H 1 1.335 0.020 . 2 . . . . 243 LYS HG2 . 15635 1 1754 . 3 1 45 45 LYS HG3 H 1 1.234 0.020 . 2 . . . . 243 LYS HG3 . 15635 1 1755 . 3 1 45 45 LYS CA C 13 59.016 0.1 . 1 . . . . 243 LYS CA . 15635 1 1756 . 3 1 45 45 LYS CB C 13 34.102 0.1 . 1 . . . . 243 LYS CB . 15635 1 1757 . 3 1 45 45 LYS CD C 13 29.896 0.1 . 1 . . . . 243 LYS CD . 15635 1 1758 . 3 1 45 45 LYS CG C 13 26.660 0.1 . 1 . . . . 243 LYS CG . 15635 1 1759 . 3 1 45 45 LYS N N 15 119.674 0.1 . 1 . . . . 243 LYS N . 15635 1 1760 . 3 1 48 48 ASN HA H 1 4.723 0.020 . 1 . . . . 246 ASN HA . 15635 1 1761 . 3 1 48 48 ASN HB2 H 1 3.124 0.020 . 2 . . . . 246 ASN HB2 . 15635 1 1762 . 3 1 48 48 ASN HB3 H 1 2.773 0.020 . 2 . . . . 246 ASN HB3 . 15635 1 1763 . 3 1 48 48 ASN HD21 H 1 7.572 0.001 . 2 . . . . 246 ASN HD21 . 15635 1 1764 . 3 1 48 48 ASN HD22 H 1 6.911 0.020 . 2 . . . . 246 ASN HD22 . 15635 1 1765 . 3 1 48 48 ASN C C 13 175.098 0.1 . 1 . . . . 246 ASN C . 15635 1 1766 . 3 1 48 48 ASN CA C 13 54.764 0.1 . 1 . . . . 246 ASN CA . 15635 1 1767 . 3 1 48 48 ASN CB C 13 39.265 0.1 . 1 . . . . 246 ASN CB . 15635 1 1768 . 3 1 48 48 ASN ND2 N 15 113.190 0.1 . 1 . . . . 246 ASN ND2 . 15635 1 1769 . 3 1 49 49 ARG H H 1 7.919 0.005 . 1 . . . . 247 ARG H . 15635 1 1770 . 3 1 49 49 ARG HA H 1 4.353 0.003 . 1 . . . . 247 ARG HA . 15635 1 1771 . 3 1 49 49 ARG HB2 H 1 1.798 0.003 . 2 . . . . 247 ARG HB2 . 15635 1 1772 . 3 1 49 49 ARG HB3 H 1 1.798 0.003 . 2 . . . . 247 ARG HB3 . 15635 1 1773 . 3 1 49 49 ARG HD2 H 1 3.214 0.020 . 2 . . . . 247 ARG HD2 . 15635 1 1774 . 3 1 49 49 ARG HD3 H 1 3.149 0.020 . 2 . . . . 247 ARG HD3 . 15635 1 1775 . 3 1 49 49 ARG HG2 H 1 1.663 0.002 . 2 . . . . 247 ARG HG2 . 15635 1 1776 . 3 1 49 49 ARG HG3 H 1 1.589 0.020 . 2 . . . . 247 ARG HG3 . 15635 1 1777 . 3 1 49 49 ARG C C 13 175.601 0.1 . 1 . . . . 247 ARG C . 15635 1 1778 . 3 1 49 49 ARG CA C 13 57.051 0.1 . 1 . . . . 247 ARG CA . 15635 1 1779 . 3 1 49 49 ARG CB C 13 32.121 0.1 . 1 . . . . 247 ARG CB . 15635 1 1780 . 3 1 49 49 ARG CD C 13 43.788 0.021 . 1 . . . . 247 ARG CD . 15635 1 1781 . 3 1 49 49 ARG CG C 13 28.500 0.1 . 1 . . . . 247 ARG CG . 15635 1 1782 . 3 1 49 49 ARG N N 15 119.826 0.1 . 1 . . . . 247 ARG N . 15635 1 1783 . 3 1 50 50 GLN H H 1 8.547 0.006 . 1 . . . . 248 GLN H . 15635 1 1784 . 3 1 50 50 GLN HA H 1 5.456 0.020 . 1 . . . . 248 GLN HA . 15635 1 1785 . 3 1 50 50 GLN HB2 H 1 1.988 0.020 . 2 . . . . 248 GLN HB2 . 15635 1 1786 . 3 1 50 50 GLN HB3 H 1 1.873 0.020 . 2 . . . . 248 GLN HB3 . 15635 1 1787 . 3 1 50 50 GLN HE21 H 1 7.615 0.020 . 2 . . . . 248 GLN HE21 . 15635 1 1788 . 3 1 50 50 GLN HE22 H 1 7.082 0.020 . 2 . . . . 248 GLN HE22 . 15635 1 1789 . 3 1 50 50 GLN HG2 H 1 2.435 0.001 . 2 . . . . 248 GLN HG2 . 15635 1 1790 . 3 1 50 50 GLN HG3 H 1 2.435 0.001 . 2 . . . . 248 GLN HG3 . 15635 1 1791 . 3 1 50 50 GLN C C 13 175.578 0.1 . 1 . . . . 248 GLN C . 15635 1 1792 . 3 1 50 50 GLN CA C 13 55.125 0.1 . 1 . . . . 248 GLN CA . 15635 1 1793 . 3 1 50 50 GLN CB C 13 32.121 0.1 . 1 . . . . 248 GLN CB . 15635 1 1794 . 3 1 50 50 GLN CG C 13 36.035 0.1 . 1 . . . . 248 GLN CG . 15635 1 1795 . 3 1 50 50 GLN N N 15 120.767 0.1 . 1 . . . . 248 GLN N . 15635 1 1796 . 3 1 50 50 GLN NE2 N 15 111.045 0.1 . 1 . . . . 248 GLN NE2 . 15635 1 1797 . 3 1 51 51 VAL H H 1 8.630 0.003 . 1 . . . . 249 VAL H . 15635 1 1798 . 3 1 51 51 VAL HA H 1 4.826 0.020 . 1 . . . . 249 VAL HA . 15635 1 1799 . 3 1 51 51 VAL HB H 1 2.172 0.020 . 1 . . . . 249 VAL HB . 15635 1 1800 . 3 1 51 51 VAL HG11 H 1 0.756 0.020 . 2 . . . . 249 VAL QG1 . 15635 1 1801 . 3 1 51 51 VAL HG12 H 1 0.756 0.020 . 2 . . . . 249 VAL QG1 . 15635 1 1802 . 3 1 51 51 VAL HG13 H 1 0.756 0.020 . 2 . . . . 249 VAL QG1 . 15635 1 1803 . 3 1 51 51 VAL HG21 H 1 0.921 0.020 . 2 . . . . 249 VAL QG2 . 15635 1 1804 . 3 1 51 51 VAL HG22 H 1 0.921 0.020 . 2 . . . . 249 VAL QG2 . 15635 1 1805 . 3 1 51 51 VAL HG23 H 1 0.921 0.020 . 2 . . . . 249 VAL QG2 . 15635 1 1806 . 3 1 51 51 VAL C C 13 175.258 0.1 . 1 . . . . 249 VAL C . 15635 1 1807 . 3 1 51 51 VAL CA C 13 59.338 0.1 . 1 . . . . 249 VAL CA . 15635 1 1808 . 3 1 51 51 VAL CB C 13 36.155 0.1 . 1 . . . . 249 VAL CB . 15635 1 1809 . 3 1 51 51 VAL CG1 C 13 22.145 0.1 . 1 . . . . 249 VAL CG1 . 15635 1 1810 . 3 1 51 51 VAL CG2 C 13 19.918 0.1 . 1 . . . . 249 VAL CG2 . 15635 1 1811 . 3 1 51 51 VAL N N 15 116.678 0.1 . 1 . . . . 249 VAL N . 15635 1 1812 . 3 1 52 52 CYS H H 1 9.100 0.003 . 1 . . . . 250 CYS H . 15635 1 1813 . 3 1 52 52 CYS HA H 1 5.301 0.020 . 1 . . . . 250 CYS HA . 15635 1 1814 . 3 1 52 52 CYS HB2 H 1 3.700 0.005 . 2 . . . . 250 CYS HB2 . 15635 1 1815 . 3 1 52 52 CYS HB3 H 1 2.932 0.020 . 2 . . . . 250 CYS HB3 . 15635 1 1816 . 3 1 52 52 CYS C C 13 174.527 0.1 . 1 . . . . 250 CYS C . 15635 1 1817 . 3 1 52 52 CYS CA C 13 58.054 0.1 . 1 . . . . 250 CYS CA . 15635 1 1818 . 3 1 52 52 CYS CB C 13 43.375 0.1 . 1 . . . . 250 CYS CB . 15635 1 1819 . 3 1 52 52 CYS N N 15 124.549 0.1 . 1 . . . . 250 CYS N . 15635 1 1820 . 3 1 53 53 ILE H H 1 8.485 0.009 . 1 . . . . 251 ILE H . 15635 1 1821 . 3 1 53 53 ILE HA H 1 4.964 0.020 . 1 . . . . 251 ILE HA . 15635 1 1822 . 3 1 53 53 ILE HB H 1 1.563 0.020 . 1 . . . . 251 ILE HB . 15635 1 1823 . 3 1 53 53 ILE HD11 H 1 0.746 0.020 . 1 . . . . 251 ILE QD1 . 15635 1 1824 . 3 1 53 53 ILE HD12 H 1 0.746 0.020 . 1 . . . . 251 ILE QD1 . 15635 1 1825 . 3 1 53 53 ILE HD13 H 1 0.746 0.020 . 1 . . . . 251 ILE QD1 . 15635 1 1826 . 3 1 53 53 ILE HG12 H 1 1.372 0.020 . 2 . . . . 251 ILE HG12 . 15635 1 1827 . 3 1 53 53 ILE HG13 H 1 1.181 0.020 . 2 . . . . 251 ILE HG13 . 15635 1 1828 . 3 1 53 53 ILE HG21 H 1 0.756 0.020 . 1 . . . . 251 ILE QG2 . 15635 1 1829 . 3 1 53 53 ILE HG22 H 1 0.756 0.020 . 1 . . . . 251 ILE QG2 . 15635 1 1830 . 3 1 53 53 ILE HG23 H 1 0.756 0.020 . 1 . . . . 251 ILE QG2 . 15635 1 1831 . 3 1 53 53 ILE C C 13 173.019 0.1 . 1 . . . . 251 ILE C . 15635 1 1832 . 3 1 53 53 ILE CA C 13 58.897 0.1 . 1 . . . . 251 ILE CA . 15635 1 1833 . 3 1 53 53 ILE CB C 13 42.201 0.1 . 1 . . . . 251 ILE CB . 15635 1 1834 . 3 1 53 53 ILE CD1 C 13 14.665 0.1 . 1 . . . . 251 ILE CD1 . 15635 1 1835 . 3 1 53 53 ILE CG1 C 13 27.986 0.028 . 1 . . . . 251 ILE CG1 . 15635 1 1836 . 3 1 53 53 ILE CG2 C 13 18.126 0.1 . 1 . . . . 251 ILE CG2 . 15635 1 1837 . 3 1 53 53 ILE N N 15 122.581 0.1 . 1 . . . . 251 ILE N . 15635 1 1838 . 3 1 54 54 ASP H H 1 7.661 0.006 . 1 . . . . 252 ASP H . 15635 1 1839 . 3 1 54 54 ASP HA H 1 3.642 0.020 . 1 . . . . 252 ASP HA . 15635 1 1840 . 3 1 54 54 ASP HB2 H 1 2.702 0.020 . 2 . . . . 252 ASP HB2 . 15635 1 1841 . 3 1 54 54 ASP HB3 H 1 2.238 0.020 . 2 . . . . 252 ASP HB3 . 15635 1 1842 . 3 1 54 54 ASP CA C 13 51.574 0.1 . 1 . . . . 252 ASP CA . 15635 1 1843 . 3 1 54 54 ASP CB C 13 42.515 0.1 . 1 . . . . 252 ASP CB . 15635 1 1844 . 3 1 54 54 ASP N N 15 125.772 0.1 . 1 . . . . 252 ASP N . 15635 1 1845 . 3 1 55 55 PRO HA H 1 4.025 0.004 . 1 . . . . 253 PRO HA . 15635 1 1846 . 3 1 55 55 PRO HB2 H 1 1.905 0.005 . 2 . . . . 253 PRO HB2 . 15635 1 1847 . 3 1 55 55 PRO HB3 H 1 2.178 0.020 . 2 . . . . 253 PRO HB3 . 15635 1 1848 . 3 1 55 55 PRO HD2 H 1 3.434 0.020 . 2 . . . . 253 PRO HD2 . 15635 1 1849 . 3 1 55 55 PRO HD3 H 1 3.434 0.020 . 2 . . . . 253 PRO HD3 . 15635 1 1850 . 3 1 55 55 PRO HG2 H 1 1.892 0.020 . 2 . . . . 253 PRO HG2 . 15635 1 1851 . 3 1 55 55 PRO HG3 H 1 1.814 0.020 . 2 . . . . 253 PRO HG3 . 15635 1 1852 . 3 1 55 55 PRO C C 13 176.126 0.1 . 1 . . . . 253 PRO C . 15635 1 1853 . 3 1 55 55 PRO CA C 13 63.993 0.1 . 1 . . . . 253 PRO CA . 15635 1 1854 . 3 1 55 55 PRO CB C 13 33.002 0.1 . 1 . . . . 253 PRO CB . 15635 1 1855 . 3 1 55 55 PRO CD C 13 51.251 0.1 . 1 . . . . 253 PRO CD . 15635 1 1856 . 3 1 55 55 PRO CG C 13 27.631 0.1 . 1 . . . . 253 PRO CG . 15635 1 1857 . 3 1 56 56 LYS H H 1 7.931 0.005 . 1 . . . . 254 LYS H . 15635 1 1858 . 3 1 56 56 LYS HA H 1 3.988 0.020 . 1 . . . . 254 LYS HA . 15635 1 1859 . 3 1 56 56 LYS HB2 H 1 1.787 0.003 . 2 . . . . 254 LYS HB2 . 15635 1 1860 . 3 1 56 56 LYS HB3 H 1 1.747 0.020 . 2 . . . . 254 LYS HB3 . 15635 1 1861 . 3 1 56 56 LYS HD2 H 1 1.691 0.020 . 2 . . . . 254 LYS HD2 . 15635 1 1862 . 3 1 56 56 LYS HD3 H 1 1.691 0.020 . 2 . . . . 254 LYS HD3 . 15635 1 1863 . 3 1 56 56 LYS HE2 H 1 3.026 0.020 . 2 . . . . 254 LYS HE2 . 15635 1 1864 . 3 1 56 56 LYS HE3 H 1 3.026 0.020 . 2 . . . . 254 LYS HE3 . 15635 1 1865 . 3 1 56 56 LYS HG2 H 1 1.418 0.001 . 2 . . . . 254 LYS HG2 . 15635 1 1866 . 3 1 56 56 LYS HG3 H 1 1.361 0.020 . 2 . . . . 254 LYS HG3 . 15635 1 1867 . 3 1 56 56 LYS C C 13 177.931 0.1 . 1 . . . . 254 LYS C . 15635 1 1868 . 3 1 56 56 LYS CA C 13 56.770 0.1 . 1 . . . . 254 LYS CA . 15635 1 1869 . 3 1 56 56 LYS CB C 13 32.023 0.1 . 1 . . . . 254 LYS CB . 15635 1 1870 . 3 1 56 56 LYS CD C 13 28.925 0.1 . 1 . . . . 254 LYS CD . 15635 1 1871 . 3 1 56 56 LYS CE C 13 41.868 0.1 . 1 . . . . 254 LYS CE . 15635 1 1872 . 3 1 56 56 LYS CG C 13 25.270 0.1 . 1 . . . . 254 LYS CG . 15635 1 1873 . 3 1 56 56 LYS N N 15 112.924 0.1 . 1 . . . . 254 LYS N . 15635 1 1874 . 3 1 57 57 LEU H H 1 7.162 0.003 . 1 . . . . 255 LEU H . 15635 1 1875 . 3 1 57 57 LEU HA H 1 4.059 0.020 . 1 . . . . 255 LEU HA . 15635 1 1876 . 3 1 57 57 LEU HB2 H 1 1.257 0.020 . 2 . . . . 255 LEU HB2 . 15635 1 1877 . 3 1 57 57 LEU HB3 H 1 1.054 0.020 . 2 . . . . 255 LEU HB3 . 15635 1 1878 . 3 1 57 57 LEU HD11 H 1 1.083 0.020 . 2 . . . . 255 LEU QD1 . 15635 1 1879 . 3 1 57 57 LEU HD12 H 1 1.083 0.020 . 2 . . . . 255 LEU QD1 . 15635 1 1880 . 3 1 57 57 LEU HD13 H 1 1.083 0.020 . 2 . . . . 255 LEU QD1 . 15635 1 1881 . 3 1 57 57 LEU HD21 H 1 1.081 0.020 . 2 . . . . 255 LEU QD2 . 15635 1 1882 . 3 1 57 57 LEU HD22 H 1 1.081 0.020 . 2 . . . . 255 LEU QD2 . 15635 1 1883 . 3 1 57 57 LEU HD23 H 1 1.081 0.020 . 2 . . . . 255 LEU QD2 . 15635 1 1884 . 3 1 57 57 LEU HG H 1 1.900 0.020 . 1 . . . . 255 LEU HG . 15635 1 1885 . 3 1 57 57 LEU C C 13 179.416 0.1 . 1 . . . . 255 LEU C . 15635 1 1886 . 3 1 57 57 LEU CA C 13 56.088 0.1 . 1 . . . . 255 LEU CA . 15635 1 1887 . 3 1 57 57 LEU CB C 13 42.191 0.1 . 1 . . . . 255 LEU CB . 15635 1 1888 . 3 1 57 57 LEU CD1 C 13 26.013 0.1 . 1 . . . . 255 LEU CD1 . 15635 1 1889 . 3 1 57 57 LEU CD2 C 13 23.425 0.1 . 1 . . . . 255 LEU CD2 . 15635 1 1890 . 3 1 57 57 LEU CG C 13 27.631 0.1 . 1 . . . . 255 LEU CG . 15635 1 1891 . 3 1 57 57 LEU N N 15 120.593 0.1 . 1 . . . . 255 LEU N . 15635 1 1892 . 3 1 58 58 LYS H H 1 8.720 0.001 . 1 . . . . 256 LYS H . 15635 1 1893 . 3 1 58 58 LYS HA H 1 3.920 0.020 . 1 . . . . 256 LYS HA . 15635 1 1894 . 3 1 58 58 LYS HB2 H 1 2.030 0.020 . 2 . . . . 256 LYS HB2 . 15635 1 1895 . 3 1 58 58 LYS HB3 H 1 2.030 0.020 . 2 . . . . 256 LYS HB3 . 15635 1 1896 . 3 1 58 58 LYS HD2 H 1 1.833 0.020 . 2 . . . . 256 LYS HD2 . 15635 1 1897 . 3 1 58 58 LYS HD3 H 1 1.799 0.006 . 2 . . . . 256 LYS HD3 . 15635 1 1898 . 3 1 58 58 LYS HE2 H 1 3.060 0.020 . 2 . . . . 256 LYS HE2 . 15635 1 1899 . 3 1 58 58 LYS HE3 H 1 3.060 0.020 . 2 . . . . 256 LYS HE3 . 15635 1 1900 . 3 1 58 58 LYS HG2 H 1 1.615 0.004 . 2 . . . . 256 LYS HG2 . 15635 1 1901 . 3 1 58 58 LYS HG3 H 1 1.571 0.003 . 2 . . . . 256 LYS HG3 . 15635 1 1902 . 3 1 58 58 LYS C C 13 178.937 0.1 . 1 . . . . 256 LYS C . 15635 1 1903 . 3 1 58 58 LYS CA C 13 60.301 0.1 . 1 . . . . 256 LYS CA . 15635 1 1904 . 3 1 58 58 LYS CB C 13 32.121 0.1 . 1 . . . . 256 LYS CB . 15635 1 1905 . 3 1 58 58 LYS CD C 13 29.576 0.1 . 1 . . . . 256 LYS CD . 15635 1 1906 . 3 1 58 58 LYS CE C 13 42.495 0.1 . 1 . . . . 256 LYS CE . 15635 1 1907 . 3 1 58 58 LYS CG C 13 25.074 0.1 . 1 . . . . 256 LYS CG . 15635 1 1908 . 3 1 58 58 LYS N N 15 125.479 0.1 . 1 . . . . 256 LYS N . 15635 1 1909 . 3 1 59 59 TRP H H 1 7.811 0.020 . 1 . . . . 257 TRP H . 15635 1 1910 . 3 1 59 59 TRP HA H 1 4.664 0.003 . 1 . . . . 257 TRP HA . 15635 1 1911 . 3 1 59 59 TRP HB2 H 1 3.635 0.005 . 2 . . . . 257 TRP HB2 . 15635 1 1912 . 3 1 59 59 TRP HB3 H 1 3.316 0.002 . 2 . . . . 257 TRP HB3 . 15635 1 1913 . 3 1 59 59 TRP HD1 H 1 7.743 0.009 . 1 . . . . 257 TRP HD1 . 15635 1 1914 . 3 1 59 59 TRP HE1 H 1 10.309 0.003 . 1 . . . . 257 TRP HE1 . 15635 1 1915 . 3 1 59 59 TRP HE3 H 1 7.363 0.006 . 1 . . . . 257 TRP HE3 . 15635 1 1916 . 3 1 59 59 TRP HH2 H 1 6.722 0.005 . 1 . . . . 257 TRP HH2 . 15635 1 1917 . 3 1 59 59 TRP HZ2 H 1 7.032 0.008 . 1 . . . . 257 TRP HZ2 . 15635 1 1918 . 3 1 59 59 TRP HZ3 H 1 6.631 0.020 . 1 . . . . 257 TRP HZ3 . 15635 1 1919 . 3 1 59 59 TRP C C 13 178.868 0.1 . 1 . . . . 257 TRP C . 15635 1 1920 . 3 1 59 59 TRP CA C 13 58.897 0.1 . 1 . . . . 257 TRP CA . 15635 1 1921 . 3 1 59 59 TRP CB C 13 28.036 0.1 . 1 . . . . 257 TRP CB . 15635 1 1922 . 3 1 59 59 TRP CD1 C 13 128.682 0.1 . 1 . . . . 257 TRP CD1 . 15635 1 1923 . 3 1 59 59 TRP CE3 C 13 121.176 0.1 . 1 . . . . 257 TRP CE3 . 15635 1 1924 . 3 1 59 59 TRP CH2 C 13 124.023 0.1 . 1 . . . . 257 TRP CH2 . 15635 1 1925 . 3 1 59 59 TRP CZ2 C 13 113.929 0.1 . 1 . . . . 257 TRP CZ2 . 15635 1 1926 . 3 1 59 59 TRP CZ3 C 13 121.176 0.1 . 1 . . . . 257 TRP CZ3 . 15635 1 1927 . 3 1 59 59 TRP N N 15 113.433 0.1 . 1 . . . . 257 TRP N . 15635 1 1928 . 3 1 59 59 TRP NE1 N 15 130.751 0.1 . 1 . . . . 257 TRP NE1 . 15635 1 1929 . 3 1 60 60 ILE H H 1 6.467 0.005 . 1 . . . . 258 ILE H . 15635 1 1930 . 3 1 60 60 ILE HA H 1 3.325 0.020 . 1 . . . . 258 ILE HA . 15635 1 1931 . 3 1 60 60 ILE HB H 1 1.757 0.020 . 1 . . . . 258 ILE HB . 15635 1 1932 . 3 1 60 60 ILE HD11 H 1 0.548 0.020 . 1 . . . . 258 ILE QD1 . 15635 1 1933 . 3 1 60 60 ILE HD12 H 1 0.548 0.020 . 1 . . . . 258 ILE QD1 . 15635 1 1934 . 3 1 60 60 ILE HD13 H 1 0.548 0.020 . 1 . . . . 258 ILE QD1 . 15635 1 1935 . 3 1 60 60 ILE HG12 H 1 -0.380 0.020 . 2 . . . . 258 ILE HG12 . 15635 1 1936 . 3 1 60 60 ILE HG13 H 1 0.144 0.020 . 2 . . . . 258 ILE HG13 . 15635 1 1937 . 3 1 60 60 ILE HG21 H 1 0.544 0.020 . 1 . . . . 258 ILE QG2 . 15635 1 1938 . 3 1 60 60 ILE HG22 H 1 0.544 0.020 . 1 . . . . 258 ILE QG2 . 15635 1 1939 . 3 1 60 60 ILE HG23 H 1 0.544 0.020 . 1 . . . . 258 ILE QG2 . 15635 1 1940 . 3 1 60 60 ILE C C 13 177.726 0.1 . 1 . . . . 258 ILE C . 15635 1 1941 . 3 1 60 60 ILE CA C 13 64.314 0.1 . 1 . . . . 258 ILE CA . 15635 1 1942 . 3 1 60 60 ILE CB C 13 35.897 0.1 . 1 . . . . 258 ILE CB . 15635 1 1943 . 3 1 60 60 ILE CD1 C 13 16.953 0.1 . 1 . . . . 258 ILE CD1 . 15635 1 1944 . 3 1 60 60 ILE CG1 C 13 26.986 0.1 . 1 . . . . 258 ILE CG1 . 15635 1 1945 . 3 1 60 60 ILE CG2 C 13 17.277 0.1 . 1 . . . . 258 ILE CG2 . 15635 1 1946 . 3 1 60 60 ILE N N 15 124.379 0.1 . 1 . . . . 258 ILE N . 15635 1 1947 . 3 1 61 61 GLN H H 1 7.624 0.004 . 1 . . . . 259 GLN H . 15635 1 1948 . 3 1 61 61 GLN HA H 1 3.755 0.020 . 1 . . . . 259 GLN HA . 15635 1 1949 . 3 1 61 61 GLN HB2 H 1 2.264 0.020 . 2 . . . . 259 GLN HB2 . 15635 1 1950 . 3 1 61 61 GLN HB3 H 1 2.220 0.020 . 2 . . . . 259 GLN HB3 . 15635 1 1951 . 3 1 61 61 GLN HE21 H 1 7.078 0.020 . 2 . . . . 259 GLN HE21 . 15635 1 1952 . 3 1 61 61 GLN HE22 H 1 7.925 0.004 . 2 . . . . 259 GLN HE22 . 15635 1 1953 . 3 1 61 61 GLN HG2 H 1 2.389 0.020 . 2 . . . . 259 GLN HG2 . 15635 1 1954 . 3 1 61 61 GLN HG3 H 1 2.389 0.020 . 2 . . . . 259 GLN HG3 . 15635 1 1955 . 3 1 61 61 GLN C C 13 178.434 0.1 . 1 . . . . 259 GLN C . 15635 1 1956 . 3 1 61 61 GLN CA C 13 59.379 0.1 . 1 . . . . 259 GLN CA . 15635 1 1957 . 3 1 61 61 GLN CB C 13 28.602 0.1 . 1 . . . . 259 GLN CB . 15635 1 1958 . 3 1 61 61 GLN CG C 13 34.102 0.1 . 1 . . . . 259 GLN CG . 15635 1 1959 . 3 1 61 61 GLN N N 15 119.070 0.1 . 1 . . . . 259 GLN N . 15635 1 1960 . 3 1 61 61 GLN NE2 N 15 115.396 0.005 . 1 . . . . 259 GLN NE2 . 15635 1 1961 . 3 1 62 62 GLU H H 1 8.064 0.001 . 1 . . . . 260 GLU H . 15635 1 1962 . 3 1 62 62 GLU HA H 1 4.087 0.020 . 1 . . . . 260 GLU HA . 15635 1 1963 . 3 1 62 62 GLU HB2 H 1 2.120 0.020 . 2 . . . . 260 GLU HB2 . 15635 1 1964 . 3 1 62 62 GLU HB3 H 1 2.257 0.020 . 2 . . . . 260 GLU HB3 . 15635 1 1965 . 3 1 62 62 GLU HG2 H 1 2.540 0.020 . 2 . . . . 260 GLU HG2 . 15635 1 1966 . 3 1 62 62 GLU HG3 H 1 2.299 0.020 . 2 . . . . 260 GLU HG3 . 15635 1 1967 . 3 1 62 62 GLU C C 13 179.051 0.1 . 1 . . . . 260 GLU C . 15635 1 1968 . 3 1 62 62 GLU CA C 13 59.659 0.1 . 1 . . . . 260 GLU CA . 15635 1 1969 . 3 1 62 62 GLU CB C 13 30.457 0.1 . 1 . . . . 260 GLU CB . 15635 1 1970 . 3 1 62 62 GLU CG C 13 37.308 0.1 . 1 . . . . 260 GLU CG . 15635 1 1971 . 3 1 62 62 GLU N N 15 117.166 0.1 . 1 . . . . 260 GLU N . 15635 1 1972 . 3 1 63 63 TYR H H 1 7.924 0.006 . 1 . . . . 261 TYR H . 15635 1 1973 . 3 1 63 63 TYR HA H 1 4.254 0.020 . 1 . . . . 261 TYR HA . 15635 1 1974 . 3 1 63 63 TYR HB2 H 1 3.313 0.020 . 2 . . . . 261 TYR HB2 . 15635 1 1975 . 3 1 63 63 TYR HB3 H 1 3.445 0.001 . 2 . . . . 261 TYR HB3 . 15635 1 1976 . 3 1 63 63 TYR HD1 H 1 7.173 0.006 . 1 . . . . 261 TYR HD1 . 15635 1 1977 . 3 1 63 63 TYR HD2 H 1 7.173 0.006 . 1 . . . . 261 TYR HD2 . 15635 1 1978 . 3 1 63 63 TYR HE1 H 1 6.831 0.020 . 1 . . . . 261 TYR HE1 . 15635 1 1979 . 3 1 63 63 TYR HE2 H 1 6.831 0.020 . 1 . . . . 261 TYR HE2 . 15635 1 1980 . 3 1 63 63 TYR C C 13 178.617 0.1 . 1 . . . . 261 TYR C . 15635 1 1981 . 3 1 63 63 TYR CA C 13 61.184 0.1 . 1 . . . . 261 TYR CA . 15635 1 1982 . 3 1 63 63 TYR CB C 13 39.461 0.1 . 1 . . . . 261 TYR CB . 15635 1 1983 . 3 1 63 63 TYR CD1 C 13 133.083 0.1 . 1 . . . . 261 TYR CD1 . 15635 1 1984 . 3 1 63 63 TYR CE1 C 13 118.070 0.1 . 1 . . . . 261 TYR CE1 . 15635 1 1985 . 3 1 63 63 TYR N N 15 121.271 0.1 . 1 . . . . 261 TYR N . 15635 1 1986 . 3 1 64 64 LEU H H 1 8.260 0.005 . 1 . . . . 262 LEU H . 15635 1 1987 . 3 1 64 64 LEU HA H 1 3.966 0.020 . 1 . . . . 262 LEU HA . 15635 1 1988 . 3 1 64 64 LEU HB2 H 1 1.964 0.020 . 2 . . . . 262 LEU HB2 . 15635 1 1989 . 3 1 64 64 LEU HB3 H 1 1.231 0.020 . 2 . . . . 262 LEU HB3 . 15635 1 1990 . 3 1 64 64 LEU HD11 H 1 0.710 0.020 . 2 . . . . 262 LEU QD1 . 15635 1 1991 . 3 1 64 64 LEU HD12 H 1 0.710 0.020 . 2 . . . . 262 LEU QD1 . 15635 1 1992 . 3 1 64 64 LEU HD13 H 1 0.710 0.020 . 2 . . . . 262 LEU QD1 . 15635 1 1993 . 3 1 64 64 LEU HD21 H 1 0.763 0.020 . 2 . . . . 262 LEU QD2 . 15635 1 1994 . 3 1 64 64 LEU HD22 H 1 0.763 0.020 . 2 . . . . 262 LEU QD2 . 15635 1 1995 . 3 1 64 64 LEU HD23 H 1 0.763 0.020 . 2 . . . . 262 LEU QD2 . 15635 1 1996 . 3 1 64 64 LEU HG H 1 1.942 0.020 . 1 . . . . 262 LEU HG . 15635 1 1997 . 3 1 64 64 LEU C C 13 179.553 0.1 . 1 . . . . 262 LEU C . 15635 1 1998 . 3 1 64 64 LEU CA C 13 58.014 0.1 . 1 . . . . 262 LEU CA . 15635 1 1999 . 3 1 64 64 LEU CB C 13 42.397 0.1 . 1 . . . . 262 LEU CB . 15635 1 2000 . 3 1 64 64 LEU CD1 C 13 26.604 0.1 . 1 . . . . 262 LEU CD1 . 15635 1 2001 . 3 1 64 64 LEU CD2 C 13 23.313 0.1 . 1 . . . . 262 LEU CD2 . 15635 1 2002 . 3 1 64 64 LEU CG C 13 26.984 0.1 . 1 . . . . 262 LEU CG . 15635 1 2003 . 3 1 64 64 LEU N N 15 116.299 0.1 . 1 . . . . 262 LEU N . 15635 1 2004 . 3 1 65 65 GLU H H 1 8.454 0.002 . 1 . . . . 263 GLU H . 15635 1 2005 . 3 1 65 65 GLU HA H 1 3.854 0.002 . 1 . . . . 263 GLU HA . 15635 1 2006 . 3 1 65 65 GLU HB2 H 1 2.252 0.020 . 2 . . . . 263 GLU HB2 . 15635 1 2007 . 3 1 65 65 GLU HB3 H 1 2.092 0.020 . 2 . . . . 263 GLU HB3 . 15635 1 2008 . 3 1 65 65 GLU HG2 H 1 2.483 0.020 . 2 . . . . 263 GLU HG2 . 15635 1 2009 . 3 1 65 65 GLU HG3 H 1 2.268 0.004 . 2 . . . . 263 GLU HG3 . 15635 1 2010 . 3 1 65 65 GLU C C 13 179.279 0.1 . 1 . . . . 263 GLU C . 15635 1 2011 . 3 1 65 65 GLU CA C 13 60.301 0.1 . 1 . . . . 263 GLU CA . 15635 1 2012 . 3 1 65 65 GLU CB C 13 29.870 0.1 . 1 . . . . 263 GLU CB . 15635 1 2013 . 3 1 65 65 GLU CG C 13 37.406 0.1 . 1 . . . . 263 GLU CG . 15635 1 2014 . 3 1 65 65 GLU N N 15 118.616 0.1 . 1 . . . . 263 GLU N . 15635 1 2015 . 3 1 66 66 LYS H H 1 7.575 0.020 . 1 . . . . 264 LYS H . 15635 1 2016 . 3 1 66 66 LYS HA H 1 4.225 0.002 . 1 . . . . 264 LYS HA . 15635 1 2017 . 3 1 66 66 LYS HB2 H 1 1.944 0.020 . 2 . . . . 264 LYS HB2 . 15635 1 2018 . 3 1 66 66 LYS HB3 H 1 2.017 0.001 . 2 . . . . 264 LYS HB3 . 15635 1 2019 . 3 1 66 66 LYS HD2 H 1 1.697 0.020 . 2 . . . . 264 LYS HD2 . 15635 1 2020 . 3 1 66 66 LYS HD3 H 1 1.697 0.020 . 2 . . . . 264 LYS HD3 . 15635 1 2021 . 3 1 66 66 LYS HE2 H 1 3.006 0.004 . 2 . . . . 264 LYS HE2 . 15635 1 2022 . 3 1 66 66 LYS HE3 H 1 3.006 0.004 . 2 . . . . 264 LYS HE3 . 15635 1 2023 . 3 1 66 66 LYS HG2 H 1 1.641 0.020 . 2 . . . . 264 LYS HG2 . 15635 1 2024 . 3 1 66 66 LYS HG3 H 1 1.600 0.020 . 2 . . . . 264 LYS HG3 . 15635 1 2025 . 3 1 66 66 LYS C C 13 178.457 0.1 . 1 . . . . 264 LYS C . 15635 1 2026 . 3 1 66 66 LYS CA C 13 58.496 0.1 . 1 . . . . 264 LYS CA . 15635 1 2027 . 3 1 66 66 LYS CB C 13 32.400 0.1 . 1 . . . . 264 LYS CB . 15635 1 2028 . 3 1 66 66 LYS CD C 13 29.249 0.1 . 1 . . . . 264 LYS CD . 15635 1 2029 . 3 1 66 66 LYS CE C 13 42.838 0.1 . 1 . . . . 264 LYS CE . 15635 1 2030 . 3 1 66 66 LYS CG C 13 25.336 0.1 . 1 . . . . 264 LYS CG . 15635 1 2031 . 3 1 66 66 LYS N N 15 117.166 0.1 . 1 . . . . 264 LYS N . 15635 1 2032 . 3 1 67 67 CYS H H 1 7.918 0.005 . 1 . . . . 265 CYS H . 15635 1 2033 . 3 1 67 67 CYS HA H 1 4.526 0.020 . 1 . . . . 265 CYS HA . 15635 1 2034 . 3 1 67 67 CYS HB2 H 1 3.100 0.002 . 2 . . . . 265 CYS HB2 . 15635 1 2035 . 3 1 67 67 CYS HB3 H 1 3.001 0.020 . 2 . . . . 265 CYS HB3 . 15635 1 2036 . 3 1 67 67 CYS C C 13 174.893 0.1 . 1 . . . . 265 CYS C . 15635 1 2037 . 3 1 67 67 CYS CA C 13 56.329 0.1 . 1 . . . . 265 CYS CA . 15635 1 2038 . 3 1 67 67 CYS CB C 13 45.235 0.1 . 1 . . . . 265 CYS CB . 15635 1 2039 . 3 1 67 67 CYS N N 15 115.330 0.1 . 1 . . . . 265 CYS N . 15635 1 2040 . 3 1 68 68 LEU H H 1 7.559 0.002 . 1 . . . . 266 LEU H . 15635 1 2041 . 3 1 68 68 LEU HA H 1 4.491 0.001 . 1 . . . . 266 LEU HA . 15635 1 2042 . 3 1 68 68 LEU HB2 H 1 1.742 0.020 . 2 . . . . 266 LEU HB2 . 15635 1 2043 . 3 1 68 68 LEU HB3 H 1 1.595 0.020 . 2 . . . . 266 LEU HB3 . 15635 1 2044 . 3 1 68 68 LEU HD11 H 1 0.873 0.020 . 2 . . . . 266 LEU QD1 . 15635 1 2045 . 3 1 68 68 LEU HD12 H 1 0.873 0.020 . 2 . . . . 266 LEU QD1 . 15635 1 2046 . 3 1 68 68 LEU HD13 H 1 0.873 0.020 . 2 . . . . 266 LEU QD1 . 15635 1 2047 . 3 1 68 68 LEU HD21 H 1 0.867 0.020 . 2 . . . . 266 LEU QD2 . 15635 1 2048 . 3 1 68 68 LEU HD22 H 1 0.867 0.020 . 2 . . . . 266 LEU QD2 . 15635 1 2049 . 3 1 68 68 LEU HD23 H 1 0.867 0.020 . 2 . . . . 266 LEU QD2 . 15635 1 2050 . 3 1 68 68 LEU HG H 1 1.700 0.020 . 1 . . . . 266 LEU HG . 15635 1 2051 . 3 1 68 68 LEU C C 13 176.812 0.1 . 1 . . . . 266 LEU C . 15635 1 2052 . 3 1 68 68 LEU CA C 13 55.366 0.1 . 1 . . . . 266 LEU CA . 15635 1 2053 . 3 1 68 68 LEU CB C 13 43.278 0.1 . 1 . . . . 266 LEU CB . 15635 1 2054 . 3 1 68 68 LEU CD1 C 13 26.013 0.1 . 1 . . . . 266 LEU CD1 . 15635 1 2055 . 3 1 68 68 LEU CD2 C 13 23.998 0.1 . 1 . . . . 266 LEU CD2 . 15635 1 2056 . 3 1 68 68 LEU CG C 13 27.307 0.1 . 1 . . . . 266 LEU CG . 15635 1 2057 . 3 1 68 68 LEU N N 15 120.930 0.1 . 1 . . . . 266 LEU N . 15635 1 2058 . 3 1 69 69 ASN H H 1 8.265 0.001 . 1 . . . . 267 ASN H . 15635 1 2059 . 3 1 69 69 ASN HA H 1 4.669 0.020 . 1 . . . . 267 ASN HA . 15635 1 2060 . 3 1 69 69 ASN HB2 H 1 2.859 0.020 . 2 . . . . 267 ASN HB2 . 15635 1 2061 . 3 1 69 69 ASN HB3 H 1 2.609 0.020 . 2 . . . . 267 ASN HB3 . 15635 1 2062 . 3 1 69 69 ASN HD21 H 1 7.554 0.020 . 2 . . . . 267 ASN HD21 . 15635 1 2063 . 3 1 69 69 ASN HD22 H 1 6.813 0.020 . 2 . . . . 267 ASN HD22 . 15635 1 2064 . 3 1 69 69 ASN CA C 13 53.761 0.1 . 1 . . . . 267 ASN CA . 15635 1 2065 . 3 1 69 69 ASN CB C 13 39.069 0.1 . 1 . . . . 267 ASN CB . 15635 1 2066 . 3 1 69 69 ASN N N 15 120.279 0.1 . 1 . . . . 267 ASN N . 15635 1 2067 . 3 1 69 69 ASN ND2 N 15 111.986 0.1 . 1 . . . . 267 ASN ND2 . 15635 1 2068 . 3 1 70 70 LYS H H 1 7.841 0.004 . 1 . . . . 268 LYS H . 15635 1 2069 . 3 1 70 70 LYS HA H 1 4.175 0.020 . 1 . . . . 268 LYS HA . 15635 1 2070 . 3 1 70 70 LYS HB2 H 1 1.849 0.020 . 2 . . . . 268 LYS HB2 . 15635 1 2071 . 3 1 70 70 LYS HB3 H 1 1.704 0.020 . 2 . . . . 268 LYS HB3 . 15635 1 2072 . 3 1 70 70 LYS HD2 H 1 1.689 0.020 . 2 . . . . 268 LYS HD2 . 15635 1 2073 . 3 1 70 70 LYS HD3 H 1 1.689 0.020 . 2 . . . . 268 LYS HD3 . 15635 1 2074 . 3 1 70 70 LYS HE2 H 1 3.035 0.003 . 2 . . . . 268 LYS HE2 . 15635 1 2075 . 3 1 70 70 LYS HE3 H 1 3.035 0.003 . 2 . . . . 268 LYS HE3 . 15635 1 2076 . 3 1 70 70 LYS HG2 H 1 1.400 0.020 . 2 . . . . 268 LYS HG2 . 15635 1 2077 . 3 1 70 70 LYS HG3 H 1 1.400 0.020 . 2 . . . . 268 LYS HG3 . 15635 1 2078 . 3 1 70 70 LYS CA C 13 57.722 0.1 . 1 . . . . 268 LYS CA . 15635 1 2079 . 3 1 70 70 LYS CB C 13 34.102 0.1 . 1 . . . . 268 LYS CB . 15635 1 2080 . 3 1 70 70 LYS CD C 13 29.572 0.1 . 1 . . . . 268 LYS CD . 15635 1 2081 . 3 1 70 70 LYS CG C 13 25.042 0.1 . 1 . . . . 268 LYS CG . 15635 1 2082 . 3 1 70 70 LYS N N 15 127.034 0.1 . 1 . . . . 268 LYS N . 15635 1 2083 . 4 2 3 3 MET HA H 1 4.492 0.020 . 1 . . . . 301 MET HA . 15635 1 2084 . 4 2 3 3 MET HB2 H 1 2.157 0.020 . 2 . . . . 301 MET HB2 . 15635 1 2085 . 4 2 3 3 MET HB3 H 1 2.047 0.020 . 2 . . . . 301 MET HB3 . 15635 1 2086 . 4 2 3 3 MET HG2 H 1 2.656 0.002 . 2 . . . . 301 MET HG2 . 15635 1 2087 . 4 2 3 3 MET HG3 H 1 2.575 0.020 . 2 . . . . 301 MET HG3 . 15635 1 2088 . 4 2 3 3 MET C C 13 176.332 0.1 . 1 . . . . 301 MET C . 15635 1 2089 . 4 2 3 3 MET CA C 13 55.902 0.1 . 1 . . . . 301 MET CA . 15635 1 2090 . 4 2 3 3 MET CB C 13 33.026 0.1 . 1 . . . . 301 MET CB . 15635 1 2091 . 4 2 4 4 GLU H H 1 8.342 0.020 . 1 . . . . 302 GLU H . 15635 1 2092 . 4 2 4 4 GLU HA H 1 4.282 0.020 . 1 . . . . 302 GLU HA . 15635 1 2093 . 4 2 4 4 GLU HB2 H 1 2.088 0.020 . 2 . . . . 302 GLU HB2 . 15635 1 2094 . 4 2 4 4 GLU HB3 H 1 1.986 0.003 . 2 . . . . 302 GLU HB3 . 15635 1 2095 . 4 2 4 4 GLU HG2 H 1 2.293 0.001 . 2 . . . . 302 GLU HG2 . 15635 1 2096 . 4 2 4 4 GLU HG3 H 1 2.293 0.001 . 2 . . . . 302 GLU HG3 . 15635 1 2097 . 4 2 4 4 GLU C C 13 177.132 0.1 . 1 . . . . 302 GLU C . 15635 1 2098 . 4 2 4 4 GLU CA C 13 57.410 0.1 . 1 . . . . 302 GLU CA . 15635 1 2099 . 4 2 4 4 GLU CG C 13 36.797 0.1 . 1 . . . . 302 GLU CG . 15635 1 2100 . 4 2 4 4 GLU N N 15 121.884 0.1 . 1 . . . . 302 GLU N . 15635 1 2101 . 4 2 5 5 GLY H H 1 8.331 0.003 . 1 . . . . 303 GLY H . 15635 1 2102 . 4 2 5 5 GLY HA2 H 1 3.960 0.020 . 2 . . . . 303 GLY HA2 . 15635 1 2103 . 4 2 5 5 GLY HA3 H 1 3.960 0.020 . 2 . . . . 303 GLY HA3 . 15635 1 2104 . 4 2 5 5 GLY C C 13 174.207 0.1 . 1 . . . . 303 GLY C . 15635 1 2105 . 4 2 5 5 GLY CA C 13 45.731 0.1 . 1 . . . . 303 GLY CA . 15635 1 2106 . 4 2 5 5 GLY N N 15 110.055 0.1 . 1 . . . . 303 GLY N . 15635 1 2107 . 4 2 6 6 ILE H H 1 7.831 0.002 . 1 . . . . 304 ILE H . 15635 1 2108 . 4 2 6 6 ILE HA H 1 4.286 0.020 . 1 . . . . 304 ILE HA . 15635 1 2109 . 4 2 6 6 ILE HB H 1 1.912 0.020 . 1 . . . . 304 ILE HB . 15635 1 2110 . 4 2 6 6 ILE HD11 H 1 0.867 0.020 . 1 . . . . 304 ILE QD1 . 15635 1 2111 . 4 2 6 6 ILE HD12 H 1 0.867 0.020 . 1 . . . . 304 ILE QD1 . 15635 1 2112 . 4 2 6 6 ILE HD13 H 1 0.867 0.020 . 1 . . . . 304 ILE QD1 . 15635 1 2113 . 4 2 6 6 ILE HG12 H 1 1.455 0.020 . 2 . . . . 304 ILE HG12 . 15635 1 2114 . 4 2 6 6 ILE HG13 H 1 1.191 0.020 . 2 . . . . 304 ILE HG13 . 15635 1 2115 . 4 2 6 6 ILE HG21 H 1 0.923 0.020 . 1 . . . . 304 ILE QG2 . 15635 1 2116 . 4 2 6 6 ILE HG22 H 1 0.923 0.020 . 1 . . . . 304 ILE QG2 . 15635 1 2117 . 4 2 6 6 ILE HG23 H 1 0.923 0.020 . 1 . . . . 304 ILE QG2 . 15635 1 2118 . 4 2 6 6 ILE C C 13 176.401 0.1 . 1 . . . . 304 ILE C . 15635 1 2119 . 4 2 6 6 ILE CA C 13 61.558 0.1 . 1 . . . . 304 ILE CA . 15635 1 2120 . 4 2 6 6 ILE CB C 13 39.436 0.1 . 1 . . . . 304 ILE CB . 15635 1 2121 . 4 2 6 6 ILE CD1 C 13 13.418 0.1 . 1 . . . . 304 ILE CD1 . 15635 1 2122 . 4 2 6 6 ILE CG1 C 13 27.496 0.1 . 1 . . . . 304 ILE CG1 . 15635 1 2123 . 4 2 6 6 ILE CG2 C 13 18.069 0.1 . 1 . . . . 304 ILE CG2 . 15635 1 2124 . 4 2 6 6 ILE N N 15 119.606 0.1 . 1 . . . . 304 ILE N . 15635 1 2125 . 4 2 7 7 SER H H 1 8.350 0.020 . 1 . . . . 305 SER H . 15635 1 2126 . 4 2 7 7 SER HA H 1 4.545 0.020 . 1 . . . . 305 SER HA . 15635 1 2127 . 4 2 7 7 SER HB2 H 1 3.877 0.020 . 2 . . . . 305 SER HB2 . 15635 1 2128 . 4 2 7 7 SER HB3 H 1 3.836 0.020 . 2 . . . . 305 SER HB3 . 15635 1 2129 . 4 2 7 7 SER C C 13 174.550 0.1 . 1 . . . . 305 SER C . 15635 1 2130 . 4 2 7 7 SER CA C 13 58.667 0.1 . 1 . . . . 305 SER CA . 15635 1 2131 . 4 2 7 7 SER CB C 13 64.072 0.1 . 1 . . . . 305 SER CB . 15635 1 2132 . 4 2 7 7 SER N N 15 119.853 0.1 . 1 . . . . 305 SER N . 15635 1 2133 . 4 2 8 8 ILE H H 1 7.921 0.002 . 1 . . . . 306 ILE H . 15635 1 2134 . 4 2 8 8 ILE HA H 1 4.205 0.020 . 1 . . . . 306 ILE HA . 15635 1 2135 . 4 2 8 8 ILE HB H 1 1.805 0.020 . 1 . . . . 306 ILE HB . 15635 1 2136 . 4 2 8 8 ILE HD11 H 1 0.798 0.020 . 1 . . . . 306 ILE QD1 . 15635 1 2137 . 4 2 8 8 ILE HD12 H 1 0.798 0.020 . 1 . . . . 306 ILE QD1 . 15635 1 2138 . 4 2 8 8 ILE HD13 H 1 0.798 0.020 . 1 . . . . 306 ILE QD1 . 15635 1 2139 . 4 2 8 8 ILE HG12 H 1 1.220 0.020 . 2 . . . . 306 ILE HG12 . 15635 1 2140 . 4 2 8 8 ILE HG13 H 1 1.077 0.020 . 2 . . . . 306 ILE HG13 . 15635 1 2141 . 4 2 8 8 ILE HG21 H 1 0.804 0.020 . 1 . . . . 306 ILE QG2 . 15635 1 2142 . 4 2 8 8 ILE HG22 H 1 0.804 0.020 . 1 . . . . 306 ILE QG2 . 15635 1 2143 . 4 2 8 8 ILE HG23 H 1 0.804 0.020 . 1 . . . . 306 ILE QG2 . 15635 1 2144 . 4 2 8 8 ILE C C 13 175.921 0.1 . 1 . . . . 306 ILE C . 15635 1 2145 . 4 2 8 8 ILE CA C 13 61.935 0.1 . 1 . . . . 306 ILE CA . 15635 1 2146 . 4 2 8 8 ILE CB C 13 39.436 0.1 . 1 . . . . 306 ILE CB . 15635 1 2147 . 4 2 8 8 ILE CD1 C 13 13.418 0.1 . 1 . . . . 306 ILE CD1 . 15635 1 2148 . 4 2 8 8 ILE CG1 C 13 27.370 0.1 . 1 . . . . 306 ILE CG1 . 15635 1 2149 . 4 2 8 8 ILE CG2 C 13 18.069 0.1 . 1 . . . . 306 ILE CG2 . 15635 1 2150 . 4 2 8 8 ILE N N 15 121.730 0.1 . 1 . . . . 306 ILE N . 15635 1 2151 . 4 2 9 9 TYR H H 1 8.166 0.009 . 1 . . . . 307 TYR H . 15635 1 2152 . 4 2 9 9 TYR HA H 1 4.713 0.020 . 1 . . . . 307 TYR HA . 15635 1 2153 . 4 2 9 9 TYR HB2 H 1 2.920 0.020 . 2 . . . . 307 TYR HB2 . 15635 1 2154 . 4 2 9 9 TYR HB3 H 1 3.089 0.020 . 2 . . . . 307 TYR HB3 . 15635 1 2155 . 4 2 9 9 TYR HD1 H 1 7.114 0.014 . 1 . . . . 307 TYR HD1 . 15635 1 2156 . 4 2 9 9 TYR HD2 H 1 7.114 0.014 . 1 . . . . 307 TYR HD2 . 15635 1 2157 . 4 2 9 9 TYR HE1 H 1 6.824 0.020 . 1 . . . . 307 TYR HE1 . 15635 1 2158 . 4 2 9 9 TYR HE2 H 1 6.824 0.020 . 1 . . . . 307 TYR HE2 . 15635 1 2159 . 4 2 9 9 TYR C C 13 176.058 0.1 . 1 . . . . 307 TYR C . 15635 1 2160 . 4 2 9 9 TYR CA C 13 58.165 0.1 . 1 . . . . 307 TYR CA . 15635 1 2161 . 4 2 9 9 TYR CB C 13 39.436 0.1 . 1 . . . . 307 TYR CB . 15635 1 2162 . 4 2 9 9 TYR CD1 C 13 133.344 0.1 . 1 . . . . 307 TYR CD1 . 15635 1 2163 . 4 2 9 9 TYR CE1 C 13 118.588 0.1 . 1 . . . . 307 TYR CE1 . 15635 1 2164 . 4 2 9 9 TYR N N 15 123.598 0.1 . 1 . . . . 307 TYR N . 15635 1 2165 . 4 2 10 10 THR H H 1 7.961 0.020 . 1 . . . . 308 THR H . 15635 1 2166 . 4 2 10 10 THR HA H 1 4.433 0.020 . 1 . . . . 308 THR HA . 15635 1 2167 . 4 2 10 10 THR HB H 1 4.283 0.020 . 1 . . . . 308 THR HB . 15635 1 2168 . 4 2 10 10 THR HG21 H 1 1.205 0.020 . 1 . . . . 308 THR QG2 . 15635 1 2169 . 4 2 10 10 THR HG22 H 1 1.205 0.020 . 1 . . . . 308 THR QG2 . 15635 1 2170 . 4 2 10 10 THR HG23 H 1 1.205 0.020 . 1 . . . . 308 THR QG2 . 15635 1 2171 . 4 2 10 10 THR C C 13 174.459 0.1 . 1 . . . . 308 THR C . 15635 1 2172 . 4 2 10 10 THR CA C 13 62.061 0.1 . 1 . . . . 308 THR CA . 15635 1 2173 . 4 2 10 10 THR CB C 13 70.608 0.1 . 1 . . . . 308 THR CB . 15635 1 2174 . 4 2 10 10 THR CG2 C 13 21.965 0.1 . 1 . . . . 308 THR CG2 . 15635 1 2175 . 4 2 10 10 THR N N 15 115.642 0.1 . 1 . . . . 308 THR N . 15635 1 2176 . 4 2 11 11 SER H H 1 8.211 0.020 . 1 . . . . 309 SER H . 15635 1 2177 . 4 2 11 11 SER HA H 1 4.507 0.020 . 1 . . . . 309 SER HA . 15635 1 2178 . 4 2 11 11 SER HB2 H 1 3.953 0.020 . 2 . . . . 309 SER HB2 . 15635 1 2179 . 4 2 11 11 SER HB3 H 1 3.909 0.020 . 2 . . . . 309 SER HB3 . 15635 1 2180 . 4 2 11 11 SER C C 13 174.504 0.1 . 1 . . . . 309 SER C . 15635 1 2181 . 4 2 11 11 SER CA C 13 58.919 0.1 . 1 . . . . 309 SER CA . 15635 1 2182 . 4 2 11 11 SER CB C 13 64.198 0.1 . 1 . . . . 309 SER CB . 15635 1 2183 . 4 2 11 11 SER N N 15 117.260 0.1 . 1 . . . . 309 SER N . 15635 1 2184 . 4 2 12 12 ASP H H 1 8.351 0.020 . 1 . . . . 310 ASP H . 15635 1 2185 . 4 2 12 12 ASP HA H 1 4.631 0.020 . 1 . . . . 310 ASP HA . 15635 1 2186 . 4 2 12 12 ASP HB2 H 1 2.704 0.020 . 2 . . . . 310 ASP HB2 . 15635 1 2187 . 4 2 12 12 ASP HB3 H 1 2.657 0.020 . 2 . . . . 310 ASP HB3 . 15635 1 2188 . 4 2 12 12 ASP C C 13 176.058 0.1 . 1 . . . . 310 ASP C . 15635 1 2189 . 4 2 12 12 ASP CA C 13 55.022 0.1 . 1 . . . . 310 ASP CA . 15635 1 2190 . 4 2 12 12 ASP CB C 13 41.825 0.1 . 1 . . . . 310 ASP CB . 15635 1 2191 . 4 2 12 12 ASP N N 15 122.020 0.1 . 1 . . . . 310 ASP N . 15635 1 2192 . 4 2 13 13 ASN H H 1 8.230 0.020 . 1 . . . . 311 ASN H . 15635 1 2193 . 4 2 13 13 ASN HA H 1 4.726 0.020 . 1 . . . . 311 ASN HA . 15635 1 2194 . 4 2 13 13 ASN HB2 H 1 2.842 0.020 . 2 . . . . 311 ASN HB2 . 15635 1 2195 . 4 2 13 13 ASN HB3 H 1 2.707 0.020 . 2 . . . . 311 ASN HB3 . 15635 1 2196 . 4 2 13 13 ASN C C 13 175.030 0.1 . 1 . . . . 311 ASN C . 15635 1 2197 . 4 2 13 13 ASN CA C 13 53.765 0.1 . 1 . . . . 311 ASN CA . 15635 1 2198 . 4 2 13 13 ASN CB C 13 39.562 0.1 . 1 . . . . 311 ASN CB . 15635 1 2199 . 4 2 13 13 ASN N N 15 118.317 0.1 . 1 . . . . 311 ASN N . 15635 1 2200 . 4 2 14 14 TYR H H 1 8.101 0.020 . 1 . . . . 312 TYR H . 15635 1 2201 . 4 2 14 14 TYR HA H 1 4.638 0.020 . 1 . . . . 312 TYR HA . 15635 1 2202 . 4 2 14 14 TYR HB2 H 1 3.038 0.020 . 2 . . . . 312 TYR HB2 . 15635 1 2203 . 4 2 14 14 TYR HB3 H 1 3.062 0.020 . 2 . . . . 312 TYR HB3 . 15635 1 2204 . 4 2 14 14 TYR HD1 H 1 7.110 0.012 . 1 . . . . 312 TYR HD1 . 15635 1 2205 . 4 2 14 14 TYR HD2 H 1 7.110 0.012 . 1 . . . . 312 TYR HD2 . 15635 1 2206 . 4 2 14 14 TYR HE1 H 1 6.820 0.009 . 1 . . . . 312 TYR HE1 . 15635 1 2207 . 4 2 14 14 TYR HE2 H 1 6.820 0.009 . 1 . . . . 312 TYR HE2 . 15635 1 2208 . 4 2 14 14 TYR C C 13 176.081 0.1 . 1 . . . . 312 TYR C . 15635 1 2209 . 4 2 14 14 TYR CA C 13 58.793 0.1 . 1 . . . . 312 TYR CA . 15635 1 2210 . 4 2 14 14 TYR CB C 13 39.436 0.1 . 1 . . . . 312 TYR CB . 15635 1 2211 . 4 2 14 14 TYR CD1 C 13 133.344 0.1 . 1 . . . . 312 TYR CD1 . 15635 1 2212 . 4 2 14 14 TYR CE1 C 13 118.588 0.1 . 1 . . . . 312 TYR CE1 . 15635 1 2213 . 4 2 14 14 TYR N N 15 120.850 0.1 . 1 . . . . 312 TYR N . 15635 1 2214 . 4 2 15 15 THR H H 1 7.879 0.020 . 1 . . . . 313 THR H . 15635 1 2215 . 4 2 15 15 THR HA H 1 4.284 0.020 . 1 . . . . 313 THR HA . 15635 1 2216 . 4 2 15 15 THR HB H 1 4.218 0.020 . 1 . . . . 313 THR HB . 15635 1 2217 . 4 2 15 15 THR HG21 H 1 1.177 0.020 . 1 . . . . 313 THR QG2 . 15635 1 2218 . 4 2 15 15 THR HG22 H 1 1.177 0.020 . 1 . . . . 313 THR QG2 . 15635 1 2219 . 4 2 15 15 THR HG23 H 1 1.177 0.020 . 1 . . . . 313 THR QG2 . 15635 1 2220 . 4 2 15 15 THR C C 13 174.413 0.1 . 1 . . . . 313 THR C . 15635 1 2221 . 4 2 15 15 THR CA C 13 62.187 0.1 . 1 . . . . 313 THR CA . 15635 1 2222 . 4 2 15 15 THR CB C 13 70.341 0.1 . 1 . . . . 313 THR CB . 15635 1 2223 . 4 2 15 15 THR CG2 C 13 21.965 0.1 . 1 . . . . 313 THR CG2 . 15635 1 2224 . 4 2 15 15 THR N N 15 116.126 0.1 . 1 . . . . 313 THR N . 15635 1 2225 . 4 2 16 16 GLU H H 1 8.253 0.020 . 1 . . . . 314 GLU H . 15635 1 2226 . 4 2 16 16 GLU HA H 1 4.256 0.020 . 1 . . . . 314 GLU HA . 15635 1 2227 . 4 2 16 16 GLU HB2 H 1 2.065 0.020 . 2 . . . . 314 GLU HB2 . 15635 1 2228 . 4 2 16 16 GLU HB3 H 1 1.977 0.020 . 2 . . . . 314 GLU HB3 . 15635 1 2229 . 4 2 16 16 GLU HG2 H 1 2.312 0.020 . 2 . . . . 314 GLU HG2 . 15635 1 2230 . 4 2 16 16 GLU HG3 H 1 2.312 0.020 . 2 . . . . 314 GLU HG3 . 15635 1 2231 . 4 2 16 16 GLU C C 13 176.766 0.1 . 1 . . . . 314 GLU C . 15635 1 2232 . 4 2 16 16 GLU CA C 13 57.410 0.1 . 1 . . . . 314 GLU CA . 15635 1 2233 . 4 2 16 16 GLU CB C 13 30.620 0.1 . 1 . . . . 314 GLU CB . 15635 1 2234 . 4 2 16 16 GLU CG C 13 36.923 0.1 . 1 . . . . 314 GLU CG . 15635 1 2235 . 4 2 16 16 GLU N N 15 123.052 0.1 . 1 . . . . 314 GLU N . 15635 1 2236 . 4 2 17 17 GLU H H 1 8.331 0.020 . 1 . . . . 315 GLU H . 15635 1 2237 . 4 2 17 17 GLU HA H 1 4.292 0.020 . 1 . . . . 315 GLU HA . 15635 1 2238 . 4 2 17 17 GLU HB2 H 1 2.085 0.020 . 2 . . . . 315 GLU HB2 . 15635 1 2239 . 4 2 17 17 GLU HB3 H 1 1.979 0.020 . 2 . . . . 315 GLU HB3 . 15635 1 2240 . 4 2 17 17 GLU HG2 H 1 2.295 0.020 . 2 . . . . 315 GLU HG2 . 15635 1 2241 . 4 2 17 17 GLU HG3 H 1 2.295 0.020 . 2 . . . . 315 GLU HG3 . 15635 1 2242 . 4 2 17 17 GLU C C 13 176.880 0.1 . 1 . . . . 315 GLU C . 15635 1 2243 . 4 2 17 17 GLU CA C 13 57.410 0.1 . 1 . . . . 315 GLU CA . 15635 1 2244 . 4 2 17 17 GLU CB C 13 30.525 0.1 . 1 . . . . 315 GLU CB . 15635 1 2245 . 4 2 17 17 GLU CG C 13 36.923 0.1 . 1 . . . . 315 GLU CG . 15635 1 2246 . 4 2 17 17 GLU N N 15 121.688 0.1 . 1 . . . . 315 GLU N . 15635 1 2247 . 4 2 18 18 MET H H 1 8.317 0.020 . 1 . . . . 316 MET H . 15635 1 2248 . 4 2 18 18 MET HA H 1 4.490 0.020 . 1 . . . . 316 MET HA . 15635 1 2249 . 4 2 18 18 MET HB2 H 1 2.127 0.020 . 2 . . . . 316 MET HB2 . 15635 1 2250 . 4 2 18 18 MET HB3 H 1 2.046 0.020 . 2 . . . . 316 MET HB3 . 15635 1 2251 . 4 2 18 18 MET HG2 H 1 2.633 0.001 . 2 . . . . 316 MET HG2 . 15635 1 2252 . 4 2 18 18 MET HG3 H 1 2.546 0.020 . 2 . . . . 316 MET HG3 . 15635 1 2253 . 4 2 18 18 MET C C 13 177.086 0.1 . 1 . . . . 316 MET C . 15635 1 2254 . 4 2 18 18 MET CA C 13 56.279 0.1 . 1 . . . . 316 MET CA . 15635 1 2255 . 4 2 18 18 MET CB C 13 33.026 0.1 . 1 . . . . 316 MET CB . 15635 1 2256 . 4 2 18 18 MET N N 15 121.270 0.1 . 1 . . . . 316 MET N . 15635 1 2257 . 4 2 19 19 GLY H H 1 8.320 0.020 . 1 . . . . 317 GLY H . 15635 1 2258 . 4 2 19 19 GLY HA2 H 1 4.054 0.020 . 2 . . . . 317 GLY HA2 . 15635 1 2259 . 4 2 19 19 GLY HA3 H 1 4.054 0.020 . 2 . . . . 317 GLY HA3 . 15635 1 2260 . 4 2 19 19 GLY C C 13 174.481 0.1 . 1 . . . . 317 GLY C . 15635 1 2261 . 4 2 19 19 GLY CA C 13 45.847 0.1 . 1 . . . . 317 GLY CA . 15635 1 2262 . 4 2 19 19 GLY N N 15 110.055 0.1 . 1 . . . . 317 GLY N . 15635 1 2263 . 4 2 20 20 SER H H 1 8.230 0.020 . 1 . . . . 318 SER H . 15635 1 2264 . 4 2 20 20 SER HA H 1 4.476 0.020 . 1 . . . . 318 SER HA . 15635 1 2265 . 4 2 20 20 SER HB2 H 1 3.952 0.020 . 2 . . . . 318 SER HB2 . 15635 1 2266 . 4 2 20 20 SER HB3 H 1 3.893 0.020 . 2 . . . . 318 SER HB3 . 15635 1 2267 . 4 2 20 20 SER C C 13 175.327 0.1 . 1 . . . . 318 SER C . 15635 1 2268 . 4 2 20 20 SER CA C 13 58.919 0.1 . 1 . . . . 318 SER CA . 15635 1 2269 . 4 2 20 20 SER CB C 13 64.575 0.1 . 1 . . . . 318 SER CB . 15635 1 2270 . 4 2 20 20 SER N N 15 115.664 0.1 . 1 . . . . 318 SER N . 15635 1 2271 . 4 2 21 21 GLY H H 1 8.371 0.020 . 1 . . . . 319 GLY H . 15635 1 2272 . 4 2 21 21 GLY HA2 H 1 3.951 0.020 . 2 . . . . 319 GLY HA2 . 15635 1 2273 . 4 2 21 21 GLY HA3 H 1 3.951 0.020 . 2 . . . . 319 GLY HA3 . 15635 1 2274 . 4 2 21 21 GLY C C 13 174.002 0.1 . 1 . . . . 319 GLY C . 15635 1 2275 . 4 2 21 21 GLY CA C 13 45.721 0.1 . 1 . . . . 319 GLY CA . 15635 1 2276 . 4 2 21 21 GLY N N 15 110.872 0.1 . 1 . . . . 319 GLY N . 15635 1 2277 . 4 2 22 22 ASP H H 1 8.072 0.014 . 1 . . . . 320 ASP H . 15635 1 2278 . 4 2 22 22 ASP HA H 1 4.629 0.020 . 1 . . . . 320 ASP HA . 15635 1 2279 . 4 2 22 22 ASP HB2 H 1 2.659 0.001 . 2 . . . . 320 ASP HB2 . 15635 1 2280 . 4 2 22 22 ASP HB3 H 1 2.537 0.002 . 2 . . . . 320 ASP HB3 . 15635 1 2281 . 4 2 22 22 ASP C C 13 176.355 0.1 . 1 . . . . 320 ASP C . 15635 1 2282 . 4 2 22 22 ASP CA C 13 54.771 0.1 . 1 . . . . 320 ASP CA . 15635 1 2283 . 4 2 22 22 ASP CB C 13 41.699 0.1 . 1 . . . . 320 ASP CB . 15635 1 2284 . 4 2 22 22 ASP N N 15 120.530 0.1 . 1 . . . . 320 ASP N . 15635 1 2285 . 4 2 23 23 TYS H H 1 8.180 0.020 . 1 . . . . 321 TYS H . 15635 1 2286 . 4 2 23 23 TYS HA H 1 4.628 0.020 . 1 . . . . 321 TYS HA . 15635 1 2287 . 4 2 23 23 TYS HB2 H 1 3.049 0.020 . 2 . . . . 321 TYS HB2 . 15635 1 2288 . 4 2 23 23 TYS HB3 H 1 3.219 0.020 . 2 . . . . 321 TYS HB3 . 15635 1 2289 . 4 2 23 23 TYS HD1 H 1 7.261 0.020 . 1 . . . . 321 TYS HD1 . 15635 1 2290 . 4 2 23 23 TYS HD2 H 1 7.261 0.020 . 1 . . . . 321 TYS HD2 . 15635 1 2291 . 4 2 23 23 TYS HE1 H 1 7.260 0.020 . 1 . . . . 321 TYS HE1 . 15635 1 2292 . 4 2 23 23 TYS HE2 H 1 7.260 0.020 . 1 . . . . 321 TYS HE2 . 15635 1 2293 . 4 2 23 23 TYS C C 13 176.058 0.1 . 1 . . . . 321 TYS C . 15635 1 2294 . 4 2 23 23 TYS CA C 13 58.667 0.1 . 1 . . . . 321 TYS CA . 15635 1 2295 . 4 2 23 23 TYS CB C 13 39.311 0.1 . 1 . . . . 321 TYS CB . 15635 1 2296 . 4 2 23 23 TYS CD1 C 13 133.344 0.1 . 1 . . . . 321 TYS CD1 . 15635 1 2297 . 4 2 23 23 TYS CE1 C 13 124.540 0.1 . 1 . . . . 321 TYS CE1 . 15635 1 2298 . 4 2 23 23 TYS N N 15 120.283 0.1 . 1 . . . . 321 TYS N . 15635 1 2299 . 4 2 24 24 ASP H H 1 8.322 0.020 . 1 . . . . 322 ASP H . 15635 1 2300 . 4 2 24 24 ASP HA H 1 4.602 0.020 . 1 . . . . 322 ASP HA . 15635 1 2301 . 4 2 24 24 ASP HB2 H 1 2.665 0.020 . 2 . . . . 322 ASP HB2 . 15635 1 2302 . 4 2 24 24 ASP HB3 H 1 2.658 0.020 . 2 . . . . 322 ASP HB3 . 15635 1 2303 . 4 2 24 24 ASP C C 13 176.835 0.1 . 1 . . . . 322 ASP C . 15635 1 2304 . 4 2 24 24 ASP CA C 13 55.022 0.1 . 1 . . . . 322 ASP CA . 15635 1 2305 . 4 2 24 24 ASP CB C 13 41.825 0.1 . 1 . . . . 322 ASP CB . 15635 1 2306 . 4 2 24 24 ASP N N 15 121.417 0.1 . 1 . . . . 322 ASP N . 15635 1 2307 . 4 2 25 25 SER H H 1 8.155 0.020 . 1 . . . . 323 SER H . 15635 1 2308 . 4 2 25 25 SER HA H 1 4.404 0.020 . 1 . . . . 323 SER HA . 15635 1 2309 . 4 2 25 25 SER HB2 H 1 3.956 0.001 . 2 . . . . 323 SER HB2 . 15635 1 2310 . 4 2 25 25 SER HB3 H 1 3.925 0.002 . 2 . . . . 323 SER HB3 . 15635 1 2311 . 4 2 25 25 SER C C 13 175.075 0.1 . 1 . . . . 323 SER C . 15635 1 2312 . 4 2 25 25 SER CA C 13 59.347 0.1 . 1 . . . . 323 SER CA . 15635 1 2313 . 4 2 25 25 SER CB C 13 63.879 0.1 . 1 . . . . 323 SER CB . 15635 1 2314 . 4 2 25 25 SER N N 15 116.126 0.1 . 1 . . . . 323 SER N . 15635 1 2315 . 4 2 26 26 MET H H 1 8.221 0.020 . 1 . . . . 324 MET H . 15635 1 2316 . 4 2 26 26 MET HA H 1 4.482 0.020 . 1 . . . . 324 MET HA . 15635 1 2317 . 4 2 26 26 MET HB2 H 1 2.137 0.002 . 2 . . . . 324 MET HB2 . 15635 1 2318 . 4 2 26 26 MET HB3 H 1 2.063 0.001 . 2 . . . . 324 MET HB3 . 15635 1 2319 . 4 2 26 26 MET HG2 H 1 2.626 0.005 . 2 . . . . 324 MET HG2 . 15635 1 2320 . 4 2 26 26 MET HG3 H 1 2.553 0.006 . 2 . . . . 324 MET HG3 . 15635 1 2321 . 4 2 26 26 MET C C 13 176.355 0.1 . 1 . . . . 324 MET C . 15635 1 2322 . 4 2 26 26 MET CA C 13 56.279 0.1 . 1 . . . . 324 MET CA . 15635 1 2323 . 4 2 26 26 MET CB C 13 32.900 0.1 . 1 . . . . 324 MET CB . 15635 1 2324 . 4 2 26 26 MET CG C 13 32.900 0.1 . 1 . . . . 324 MET CG . 15635 1 2325 . 4 2 26 26 MET N N 15 121.210 0.1 . 1 . . . . 324 MET N . 15635 1 2326 . 4 2 27 27 LYS H H 1 8.036 0.020 . 1 . . . . 325 LYS H . 15635 1 2327 . 4 2 27 27 LYS HA H 1 4.333 0.020 . 1 . . . . 325 LYS HA . 15635 1 2328 . 4 2 27 27 LYS HB2 H 1 1.855 0.020 . 2 . . . . 325 LYS HB2 . 15635 1 2329 . 4 2 27 27 LYS HB3 H 1 1.767 0.020 . 2 . . . . 325 LYS HB3 . 15635 1 2330 . 4 2 27 27 LYS HD2 H 1 1.682 0.020 . 2 . . . . 325 LYS HD2 . 15635 1 2331 . 4 2 27 27 LYS HD3 H 1 1.682 0.020 . 2 . . . . 325 LYS HD3 . 15635 1 2332 . 4 2 27 27 LYS HE2 H 1 3.012 0.020 . 2 . . . . 325 LYS HE2 . 15635 1 2333 . 4 2 27 27 LYS HE3 H 1 3.012 0.020 . 2 . . . . 325 LYS HE3 . 15635 1 2334 . 4 2 27 27 LYS HG2 H 1 1.420 0.020 . 2 . . . . 325 LYS HG2 . 15635 1 2335 . 4 2 27 27 LYS HG3 H 1 1.420 0.020 . 2 . . . . 325 LYS HG3 . 15635 1 2336 . 4 2 27 27 LYS C C 13 176.355 0.1 . 1 . . . . 325 LYS C . 15635 1 2337 . 4 2 27 27 LYS CA C 13 56.656 0.1 . 1 . . . . 325 LYS CA . 15635 1 2338 . 4 2 27 27 LYS CB C 13 33.529 0.1 . 1 . . . . 325 LYS CB . 15635 1 2339 . 4 2 27 27 LYS CD C 13 29.632 0.1 . 1 . . . . 325 LYS CD . 15635 1 2340 . 4 2 27 27 LYS CE C 13 42.579 0.1 . 1 . . . . 325 LYS CE . 15635 1 2341 . 4 2 27 27 LYS CG C 13 25.107 0.1 . 1 . . . . 325 LYS CG . 15635 1 2342 . 4 2 27 27 LYS N N 15 121.457 0.1 . 1 . . . . 325 LYS N . 15635 1 2343 . 4 2 28 28 GLU H H 1 8.205 0.020 . 1 . . . . 326 GLU H . 15635 1 2344 . 4 2 28 28 GLU N N 15 122.740 0.1 . 1 . . . . 326 GLU N . 15635 1 2345 . 4 2 29 29 PRO HA H 1 4.377 0.020 . 1 . . . . 327 PRO HA . 15635 1 2346 . 4 2 29 29 PRO HB2 H 1 2.243 0.020 . 2 . . . . 327 PRO HB2 . 15635 1 2347 . 4 2 29 29 PRO HB3 H 1 1.832 0.020 . 2 . . . . 327 PRO HB3 . 15635 1 2348 . 4 2 29 29 PRO HD2 H 1 3.791 0.020 . 2 . . . . 327 PRO HD2 . 15635 1 2349 . 4 2 29 29 PRO HD3 H 1 3.692 0.020 . 2 . . . . 327 PRO HD3 . 15635 1 2350 . 4 2 29 29 PRO HG2 H 1 2.022 0.020 . 2 . . . . 327 PRO HG2 . 15635 1 2351 . 4 2 29 29 PRO HG3 H 1 2.022 0.020 . 2 . . . . 327 PRO HG3 . 15635 1 2352 . 4 2 29 29 PRO C C 13 176.812 0.1 . 1 . . . . 327 PRO C . 15635 1 2353 . 4 2 29 29 PRO CA C 13 63.821 0.1 . 1 . . . . 327 PRO CA . 15635 1 2354 . 4 2 29 29 PRO CB C 13 32.272 0.1 . 1 . . . . 327 PRO CB . 15635 1 2355 . 4 2 29 29 PRO CD C 13 51.000 0.1 . 1 . . . . 327 PRO CD . 15635 1 2356 . 4 2 29 29 PRO CG C 13 27.873 0.1 . 1 . . . . 327 PRO CG . 15635 1 2357 . 4 2 30 30 ALA H H 1 8.273 0.020 . 1 . . . . 328 ALA H . 15635 1 2358 . 4 2 30 30 ALA HA H 1 4.287 0.020 . 1 . . . . 328 ALA HA . 15635 1 2359 . 4 2 30 30 ALA HB1 H 1 1.322 0.020 . 1 . . . . 328 ALA QB . 15635 1 2360 . 4 2 30 30 ALA HB2 H 1 1.322 0.020 . 1 . . . . 328 ALA QB . 15635 1 2361 . 4 2 30 30 ALA HB3 H 1 1.322 0.020 . 1 . . . . 328 ALA QB . 15635 1 2362 . 4 2 30 30 ALA C C 13 177.589 0.1 . 1 . . . . 328 ALA C . 15635 1 2363 . 4 2 30 30 ALA CA C 13 52.873 0.1 . 1 . . . . 328 ALA CA . 15635 1 2364 . 4 2 30 30 ALA CB C 13 19.703 0.1 . 1 . . . . 328 ALA CB . 15635 1 2365 . 4 2 30 30 ALA N N 15 123.577 0.1 . 1 . . . . 328 ALA N . 15635 1 2366 . 4 2 31 31 PHE H H 1 8.019 0.020 . 1 . . . . 329 PHE H . 15635 1 2367 . 4 2 31 31 PHE HA H 1 4.621 0.020 . 1 . . . . 329 PHE HA . 15635 1 2368 . 4 2 31 31 PHE HB2 H 1 3.148 0.020 . 2 . . . . 329 PHE HB2 . 15635 1 2369 . 4 2 31 31 PHE HB3 H 1 3.062 0.020 . 2 . . . . 329 PHE HB3 . 15635 1 2370 . 4 2 31 31 PHE HD1 H 1 7.261 0.020 . 1 . . . . 329 PHE HD1 . 15635 1 2371 . 4 2 31 31 PHE HD2 H 1 7.261 0.020 . 1 . . . . 329 PHE HD2 . 15635 1 2372 . 4 2 31 31 PHE HE1 H 1 7.345 0.020 . 1 . . . . 329 PHE HE1 . 15635 1 2373 . 4 2 31 31 PHE HE2 H 1 7.345 0.020 . 1 . . . . 329 PHE HE2 . 15635 1 2374 . 4 2 31 31 PHE C C 13 175.624 0.1 . 1 . . . . 329 PHE C . 15635 1 2375 . 4 2 31 31 PHE CA C 13 58.039 0.1 . 1 . . . . 329 PHE CA . 15635 1 2376 . 4 2 31 31 PHE CB C 13 40.055 0.1 . 1 . . . . 329 PHE CB . 15635 1 2377 . 4 2 31 31 PHE CD1 C 13 132.047 0.1 . 1 . . . . 329 PHE CD1 . 15635 1 2378 . 4 2 31 31 PHE CE1 C 13 132.047 0.1 . 1 . . . . 329 PHE CE1 . 15635 1 2379 . 4 2 31 31 PHE N N 15 118.994 0.1 . 1 . . . . 329 PHE N . 15635 1 2380 . 4 2 32 32 ARG H H 1 8.042 0.020 . 1 . . . . 330 ARG H . 15635 1 2381 . 4 2 32 32 ARG HA H 1 4.332 0.020 . 1 . . . . 330 ARG HA . 15635 1 2382 . 4 2 32 32 ARG HB2 H 1 1.823 0.020 . 2 . . . . 330 ARG HB2 . 15635 1 2383 . 4 2 32 32 ARG HB3 H 1 1.720 0.020 . 2 . . . . 330 ARG HB3 . 15635 1 2384 . 4 2 32 32 ARG HD2 H 1 3.192 0.020 . 2 . . . . 330 ARG HD2 . 15635 1 2385 . 4 2 32 32 ARG HD3 H 1 3.192 0.020 . 2 . . . . 330 ARG HD3 . 15635 1 2386 . 4 2 32 32 ARG HG2 H 1 1.576 0.001 . 2 . . . . 330 ARG HG2 . 15635 1 2387 . 4 2 32 32 ARG HG3 H 1 1.576 0.001 . 2 . . . . 330 ARG HG3 . 15635 1 2388 . 4 2 32 32 ARG C C 13 175.875 0.1 . 1 . . . . 330 ARG C . 15635 1 2389 . 4 2 32 32 ARG CA C 13 56.154 0.1 . 1 . . . . 330 ARG CA . 15635 1 2390 . 4 2 32 32 ARG CB C 13 31.643 0.1 . 1 . . . . 330 ARG CB . 15635 1 2391 . 4 2 32 32 ARG CD C 13 43.961 0.1 . 1 . . . . 330 ARG CD . 15635 1 2392 . 4 2 32 32 ARG CG C 13 27.300 0.1 . 1 . . . . 330 ARG CG . 15635 1 2393 . 4 2 32 32 ARG N N 15 122.929 0.1 . 1 . . . . 330 ARG N . 15635 1 2394 . 4 2 33 33 GLU H H 1 8.389 0.020 . 1 . . . . 331 GLU H . 15635 1 2395 . 4 2 33 33 GLU HA H 1 4.276 0.020 . 1 . . . . 331 GLU HA . 15635 1 2396 . 4 2 33 33 GLU HB2 H 1 2.084 0.020 . 2 . . . . 331 GLU HB2 . 15635 1 2397 . 4 2 33 33 GLU HB3 H 1 1.988 0.020 . 2 . . . . 331 GLU HB3 . 15635 1 2398 . 4 2 33 33 GLU HG2 H 1 2.303 0.020 . 2 . . . . 331 GLU HG2 . 15635 1 2399 . 4 2 33 33 GLU HG3 H 1 2.303 0.020 . 2 . . . . 331 GLU HG3 . 15635 1 2400 . 4 2 33 33 GLU C C 13 176.766 0.1 . 1 . . . . 331 GLU C . 15635 1 2401 . 4 2 33 33 GLU CA C 13 57.285 0.1 . 1 . . . . 331 GLU CA . 15635 1 2402 . 4 2 33 33 GLU CB C 13 30.512 0.1 . 1 . . . . 331 GLU CB . 15635 1 2403 . 4 2 33 33 GLU CG C 13 36.797 0.1 . 1 . . . . 331 GLU CG . 15635 1 2404 . 4 2 33 33 GLU N N 15 122.719 0.1 . 1 . . . . 331 GLU N . 15635 1 2405 . 4 2 34 34 GLU H H 1 8.502 0.020 . 1 . . . . 332 GLU H . 15635 1 2406 . 4 2 34 34 GLU HA H 1 4.275 0.020 . 1 . . . . 332 GLU HA . 15635 1 2407 . 4 2 34 34 GLU HB2 H 1 2.079 0.020 . 2 . . . . 332 GLU HB2 . 15635 1 2408 . 4 2 34 34 GLU HB3 H 1 1.974 0.020 . 2 . . . . 332 GLU HB3 . 15635 1 2409 . 4 2 34 34 GLU HG2 H 1 2.290 0.002 . 2 . . . . 332 GLU HG2 . 15635 1 2410 . 4 2 34 34 GLU HG3 H 1 2.290 0.002 . 2 . . . . 332 GLU HG3 . 15635 1 2411 . 4 2 34 34 GLU C C 13 176.560 0.1 . 1 . . . . 332 GLU C . 15635 1 2412 . 4 2 34 34 GLU CA C 13 57.400 0.1 . 1 . . . . 332 GLU CA . 15635 1 2413 . 4 2 34 34 GLU CB C 13 30.526 0.040 . 1 . . . . 332 GLU CB . 15635 1 2414 . 4 2 34 34 GLU CG C 13 36.797 0.1 . 1 . . . . 332 GLU CG . 15635 1 2415 . 4 2 34 34 GLU N N 15 122.122 0.1 . 1 . . . . 332 GLU N . 15635 1 2416 . 4 2 35 35 ASN H H 1 8.362 0.020 . 1 . . . . 333 ASN H . 15635 1 2417 . 4 2 35 35 ASN HA H 1 4.693 0.020 . 1 . . . . 333 ASN HA . 15635 1 2418 . 4 2 35 35 ASN HB2 H 1 2.846 0.020 . 2 . . . . 333 ASN HB2 . 15635 1 2419 . 4 2 35 35 ASN HB3 H 1 2.776 0.020 . 2 . . . . 333 ASN HB3 . 15635 1 2420 . 4 2 35 35 ASN C C 13 175.258 0.1 . 1 . . . . 333 ASN C . 15635 1 2421 . 4 2 35 35 ASN CA C 13 53.765 0.1 . 1 . . . . 333 ASN CA . 15635 1 2422 . 4 2 35 35 ASN CB C 13 39.562 0.1 . 1 . . . . 333 ASN CB . 15635 1 2423 . 4 2 35 35 ASN N N 15 119.552 0.1 . 1 . . . . 333 ASN N . 15635 1 2424 . 4 2 36 36 ALA H H 1 8.155 0.020 . 1 . . . . 334 ALA H . 15635 1 2425 . 4 2 36 36 ALA HA H 1 4.289 0.020 . 1 . . . . 334 ALA HA . 15635 1 2426 . 4 2 36 36 ALA HB1 H 1 1.326 0.020 . 1 . . . . 334 ALA QB . 15635 1 2427 . 4 2 36 36 ALA HB2 H 1 1.326 0.020 . 1 . . . . 334 ALA QB . 15635 1 2428 . 4 2 36 36 ALA HB3 H 1 1.326 0.020 . 1 . . . . 334 ALA QB . 15635 1 2429 . 4 2 36 36 ALA C C 13 177.520 0.1 . 1 . . . . 334 ALA C . 15635 1 2430 . 4 2 36 36 ALA CA C 13 52.873 0.1 . 1 . . . . 334 ALA CA . 15635 1 2431 . 4 2 36 36 ALA CB C 13 19.703 0.1 . 1 . . . . 334 ALA CB . 15635 1 2432 . 4 2 36 36 ALA N N 15 124.376 0.1 . 1 . . . . 334 ALA N . 15635 1 2433 . 4 2 37 37 ASN H H 1 8.210 0.020 . 1 . . . . 335 ASN H . 15635 1 2434 . 4 2 37 37 ASN HA H 1 4.694 0.020 . 1 . . . . 335 ASN HA . 15635 1 2435 . 4 2 37 37 ASN HB2 H 1 2.773 0.020 . 2 . . . . 335 ASN HB2 . 15635 1 2436 . 4 2 37 37 ASN HB3 H 1 2.706 0.020 . 2 . . . . 335 ASN HB3 . 15635 1 2437 . 4 2 37 37 ASN C C 13 175.144 0.1 . 1 . . . . 335 ASN C . 15635 1 2438 . 4 2 37 37 ASN CA C 13 53.640 0.1 . 1 . . . . 335 ASN CA . 15635 1 2439 . 4 2 37 37 ASN CB C 13 39.311 0.1 . 1 . . . . 335 ASN CB . 15635 1 2440 . 4 2 37 37 ASN N N 15 117.103 0.1 . 1 . . . . 335 ASN N . 15635 1 2441 . 4 2 38 38 PHE H H 1 7.997 0.020 . 1 . . . . 336 PHE H . 15635 1 2442 . 4 2 38 38 PHE HA H 1 4.659 0.020 . 1 . . . . 336 PHE HA . 15635 1 2443 . 4 2 38 38 PHE HB2 H 1 3.219 0.020 . 2 . . . . 336 PHE HB2 . 15635 1 2444 . 4 2 38 38 PHE HB3 H 1 3.055 0.020 . 2 . . . . 336 PHE HB3 . 15635 1 2445 . 4 2 38 38 PHE HD1 H 1 7.267 0.020 . 1 . . . . 336 PHE HD1 . 15635 1 2446 . 4 2 38 38 PHE HD2 H 1 7.267 0.020 . 1 . . . . 336 PHE HD2 . 15635 1 2447 . 4 2 38 38 PHE HE1 H 1 7.379 0.020 . 1 . . . . 336 PHE HE1 . 15635 1 2448 . 4 2 38 38 PHE HE2 H 1 7.379 0.020 . 1 . . . . 336 PHE HE2 . 15635 1 2449 . 4 2 38 38 PHE C C 13 175.601 0.1 . 1 . . . . 336 PHE C . 15635 1 2450 . 4 2 38 38 PHE CA C 13 58.165 0.1 . 1 . . . . 336 PHE CA . 15635 1 2451 . 4 2 38 38 PHE CB C 13 39.939 0.1 . 1 . . . . 336 PHE CB . 15635 1 2452 . 4 2 38 38 PHE CD1 C 13 132.047 0.1 . 1 . . . . 336 PHE CD1 . 15635 1 2453 . 4 2 38 38 PHE CE1 C 13 132.047 0.1 . 1 . . . . 336 PHE CE1 . 15635 1 2454 . 4 2 38 38 PHE N N 15 120.229 0.1 . 1 . . . . 336 PHE N . 15635 1 2455 . 4 2 39 39 ASN H H 1 8.272 0.020 . 1 . . . . 337 ASN H . 15635 1 2456 . 4 2 39 39 ASN HA H 1 4.733 0.020 . 1 . . . . 337 ASN HA . 15635 1 2457 . 4 2 39 39 ASN HB2 H 1 2.846 0.020 . 2 . . . . 337 ASN HB2 . 15635 1 2458 . 4 2 39 39 ASN HB3 H 1 2.709 0.020 . 2 . . . . 337 ASN HB3 . 15635 1 2459 . 4 2 39 39 ASN C C 13 174.047 0.1 . 1 . . . . 337 ASN C . 15635 1 2460 . 4 2 39 39 ASN CA C 13 53.891 0.1 . 1 . . . . 337 ASN CA . 15635 1 2461 . 4 2 39 39 ASN CB C 13 39.688 0.1 . 1 . . . . 337 ASN CB . 15635 1 2462 . 4 2 39 39 ASN N N 15 120.594 0.1 . 1 . . . . 337 ASN N . 15635 1 2463 . 4 2 40 40 LYS H H 1 7.697 0.020 . 1 . . . . 338 LYS H . 15635 1 2464 . 4 2 40 40 LYS HA H 1 4.174 0.020 . 1 . . . . 338 LYS HA . 15635 1 2465 . 4 2 40 40 LYS HB2 H 1 1.856 0.020 . 2 . . . . 338 LYS HB2 . 15635 1 2466 . 4 2 40 40 LYS HB3 H 1 1.726 0.020 . 2 . . . . 338 LYS HB3 . 15635 1 2467 . 4 2 40 40 LYS HD2 H 1 1.705 0.020 . 2 . . . . 338 LYS HD2 . 15635 1 2468 . 4 2 40 40 LYS HD3 H 1 1.705 0.020 . 2 . . . . 338 LYS HD3 . 15635 1 2469 . 4 2 40 40 LYS HE2 H 1 3.020 0.020 . 2 . . . . 338 LYS HE2 . 15635 1 2470 . 4 2 40 40 LYS HE3 H 1 3.020 0.020 . 2 . . . . 338 LYS HE3 . 15635 1 2471 . 4 2 40 40 LYS HG2 H 1 1.413 0.020 . 2 . . . . 338 LYS HG2 . 15635 1 2472 . 4 2 40 40 LYS HG3 H 1 1.413 0.020 . 2 . . . . 338 LYS HG3 . 15635 1 2473 . 4 2 40 40 LYS CA C 13 58.046 0.1 . 1 . . . . 338 LYS CA . 15635 1 2474 . 4 2 40 40 LYS CB C 13 34.102 0.1 . 1 . . . . 338 LYS CB . 15635 1 2475 . 4 2 40 40 LYS CD C 13 29.896 0.1 . 1 . . . . 338 LYS CD . 15635 1 2476 . 4 2 40 40 LYS CE C 13 42.838 0.1 . 1 . . . . 338 LYS CE . 15635 1 2477 . 4 2 40 40 LYS CG C 13 25.042 0.1 . 1 . . . . 338 LYS CG . 15635 1 2478 . 4 2 40 40 LYS N N 15 126.523 0.1 . 1 . . . . 338 LYS N . 15635 1 stop_ save_