data_17255 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17255 _Entry.Title ; GIP/Glutaminase L peptide complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-10-13 _Entry.Accession_date 2010-10-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 David Zoetewey . L. . 17255 2 Mohiuddin Ovee . . . 17255 3 Monimoy Banerjee . . . 17255 4 Rajagopalan Bhaskaran . . . 17255 5 Smita Mohanty . . . 17255 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' . 17255 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID GIP . 17255 'Glutaminase L' . 17255 NMR . 17255 'PDZ domain' . 17255 'protein/peptide complex' . 17255 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17255 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 388 17255 '15N chemical shifts' 136 17255 '1H chemical shifts' 930 17255 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-04-28 2010-10-13 update BMRB 'update entry citation' 17255 1 . . 2011-03-24 2010-10-13 original author 'original release' 17255 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17254 'GIP apo' 17255 PDB 214S . 17255 PDB 2L4T 'BMRB Entry Tracking System' 17255 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 17255 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21417405 _Citation.Full_citation . _Citation.Title 'Promiscuous binding at the crossroads of numerous cancer pathways: insight from the binding of glutaminase interacting protein with glutaminase L.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 50 _Citation.Journal_issue 17 _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 3528 _Citation.Page_last 3539 _Citation.Year 2011 _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 David Zoetewey . L. . 17255 1 2 Mohiuddin Ovee . . . 17255 1 3 Monimoy Banerjee . . . 17255 1 4 Rajagopalan Bhaskaran . . . 17255 1 5 Smita Mohanty . . . 17255 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17255 _Assembly.ID 1 _Assembly.Name 'GIP/Glutaminase L peptide complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Glutaminase Interacting Protein 3' 1 $Glutaminase_Interacting_Protein_3 A . yes native no no . . . 17255 1 2 'Glutaminase L peptide' 2 $Glutaminase_L_peptide B . yes native no no . . . 17255 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Glutaminase_Interacting_Protein_3 _Entity.Sf_category entity _Entity.Sf_framecode Glutaminase_Interacting_Protein_3 _Entity.Entry_ID 17255 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Glutaminase_Interacting_Protein_3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSYIPGQPVTAVVQRVEIHK LRQGENLILGFSIGGGIDQD PSQNPFSEDKTDKGIYVTRV SEGGPAEIAGLQIGDKIMQV NGWDMTMVTHDQARKRLTKR SEEVVRLLVTRQSLQKAVQQ SMLS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13751.796 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16285 . TIP-1 . . . . . 99.19 124 100.00 100.00 1.51e-82 . . . . 17255 1 2 no BMRB 17254 . Glutaminase_Interacting_Protein_3 . . . . . 100.00 124 100.00 100.00 1.41e-83 . . . . 17255 1 3 no PDB 2KG2 . "Solution Structure Of A Pdz Protein" . . . . . 99.19 124 100.00 100.00 1.51e-82 . . . . 17255 1 4 no PDB 2L4S . "Promiscuous Binding At The Crossroads Of Numerous Cancer Pathways: Insight From The Binding Of Gip With Glutaminase L" . . . . . 100.00 124 100.00 100.00 1.41e-83 . . . . 17255 1 5 no PDB 2L4T . "GipGLUTAMINASE L PEPTIDE COMPLEX" . . . . . 100.00 124 100.00 100.00 1.41e-83 . . . . 17255 1 6 no PDB 2VZ5 . "Structure Of The Pdz Domain Of Tax1 (Human T-Cell Leukemia Virus Type I) Binding Protein 3" . . . . . 91.94 139 98.25 100.00 3.50e-74 . . . . 17255 1 7 no PDB 3DIW . "C-terminal Beta-catenin Bound Tip-1 Structure" . . . . . 100.00 124 99.19 99.19 7.02e-83 . . . . 17255 1 8 no PDB 3DJ1 . "Crystal Structure Of Tip-1 Wild Type" . . . . . 100.00 124 99.19 99.19 7.02e-83 . . . . 17255 1 9 no PDB 3DJ3 . "Crystal Structure Of C-Terminal Truncated Tip-1 (6-113)" . . . . . 90.32 113 99.11 99.11 2.44e-74 . . . . 17255 1 10 no PDB 3GJ9 . "Crystal Structure Of Tip-1 In Complex With C-Terminal Of Kir2.3" . . . . . 100.00 124 100.00 100.00 1.41e-83 . . . . 17255 1 11 no PDB 3SFJ . "Crystal Structure Of Tax-Interacting Protein-1 (Tip-1) Pdz Domain Bound To Ical36 Inhibitor Peptide" . . . . . 83.87 104 100.00 100.00 5.87e-68 . . . . 17255 1 12 no PDB 4E3B . "Crystal Structure Of Tax-interacting Protein-1 (tip-1) Pdz Domain Bound To Ical36-l (ansrwptsil) Peptide" . . . . . 82.26 102 100.00 100.00 1.29e-66 . . . . 17255 1 13 no PDB 4NNL . "Tax-interacting Protein-1 (tip-1) Pdz Domain Bound To F-ical36 (ansrfptsii) Peptide" . . . . . 83.06 103 100.00 100.00 1.87e-67 . . . . 17255 1 14 no PDB 4NNM . "Tax-interacting Protein-1 (tip-1) Pdz Domain Bound To Y-ical36 (yptsii) Peptide" . . . . . 90.32 112 100.00 100.00 1.21e-73 . . . . 17255 1 15 no DBJ BAB23703 . "unnamed protein product [Mus musculus]" . . . . . 100.00 124 99.19 99.19 7.02e-83 . . . . 17255 1 16 no DBJ BAE29879 . "unnamed protein product [Mus musculus]" . . . . . 100.00 124 99.19 99.19 7.02e-83 . . . . 17255 1 17 no DBJ BAE40411 . "unnamed protein product [Mus musculus]" . . . . . 100.00 124 99.19 99.19 7.02e-83 . . . . 17255 1 18 no DBJ BAE41827 . "unnamed protein product [Mus musculus]" . . . . . 100.00 124 99.19 99.19 7.02e-83 . . . . 17255 1 19 no DBJ BAE89417 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 124 100.00 100.00 1.41e-83 . . . . 17255 1 20 no GB AAB84248 . "Tax interaction protein 1 [Homo sapiens]" . . . . . 100.00 124 100.00 100.00 1.41e-83 . . . . 17255 1 21 no GB AAF43104 . "TIP1 [Homo sapiens]" . . . . . 93.55 116 100.00 100.00 1.38e-76 . . . . 17255 1 22 no GB AAG44368 . "glutaminase-interacting protein 3 [Homo sapiens]" . . . . . 100.00 124 100.00 100.00 1.41e-83 . . . . 17255 1 23 no GB AAH08166 . "Tax1 (human T-cell leukemia virus type I) binding protein 3 [Mus musculus]" . . . . . 100.00 124 99.19 99.19 7.02e-83 . . . . 17255 1 24 no GB AAH23980 . "Tax1 (human T-cell leukemia virus type I) binding protein 3 [Homo sapiens]" . . . . . 100.00 124 100.00 100.00 1.41e-83 . . . . 17255 1 25 no REF NP_001029646 . "tax1-binding protein 3 [Bos taurus]" . . . . . 100.00 124 99.19 100.00 2.57e-83 . . . . 17255 1 26 no REF NP_001244463 . "tax1-binding protein 3 [Macaca mulatta]" . . . . . 100.00 124 100.00 100.00 1.41e-83 . . . . 17255 1 27 no REF NP_001272005 . "Tax1 (human T-cell leukemia virus type I) binding protein 3 [Macaca fascicularis]" . . . . . 100.00 124 100.00 100.00 1.41e-83 . . . . 17255 1 28 no REF NP_055419 . "tax1-binding protein 3 isoform 1 [Homo sapiens]" . . . . . 100.00 124 100.00 100.00 1.41e-83 . . . . 17255 1 29 no REF NP_083840 . "tax1-binding protein 3 [Mus musculus]" . . . . . 100.00 124 99.19 99.19 7.02e-83 . . . . 17255 1 30 no SP O14907 . "RecName: Full=Tax1-binding protein 3; AltName: Full=Glutaminase-interacting protein 3; AltName: Full=Tax interaction protein 1;" . . . . . 100.00 124 100.00 100.00 1.41e-83 . . . . 17255 1 31 no SP Q9DBG9 . "RecName: Full=Tax1-binding protein 3; AltName: Full=Tax interaction protein 1; Short=TIP-1" . . . . . 100.00 124 99.19 99.19 7.02e-83 . . . . 17255 1 32 no TPG DAA18859 . "TPA: Tax1 binding protein 3 [Bos taurus]" . . . . . 100.00 124 99.19 100.00 2.57e-83 . . . . 17255 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17255 1 2 . SER . 17255 1 3 . TYR . 17255 1 4 . ILE . 17255 1 5 . PRO . 17255 1 6 . GLY . 17255 1 7 . GLN . 17255 1 8 . PRO . 17255 1 9 . VAL . 17255 1 10 . THR . 17255 1 11 . ALA . 17255 1 12 . VAL . 17255 1 13 . VAL . 17255 1 14 . GLN . 17255 1 15 . ARG . 17255 1 16 . VAL . 17255 1 17 . GLU . 17255 1 18 . ILE . 17255 1 19 . HIS . 17255 1 20 . LYS . 17255 1 21 . LEU . 17255 1 22 . ARG . 17255 1 23 . GLN . 17255 1 24 . GLY . 17255 1 25 . GLU . 17255 1 26 . ASN . 17255 1 27 . LEU . 17255 1 28 . ILE . 17255 1 29 . LEU . 17255 1 30 . GLY . 17255 1 31 . PHE . 17255 1 32 . SER . 17255 1 33 . ILE . 17255 1 34 . GLY . 17255 1 35 . GLY . 17255 1 36 . GLY . 17255 1 37 . ILE . 17255 1 38 . ASP . 17255 1 39 . GLN . 17255 1 40 . ASP . 17255 1 41 . PRO . 17255 1 42 . SER . 17255 1 43 . GLN . 17255 1 44 . ASN . 17255 1 45 . PRO . 17255 1 46 . PHE . 17255 1 47 . SER . 17255 1 48 . GLU . 17255 1 49 . ASP . 17255 1 50 . LYS . 17255 1 51 . THR . 17255 1 52 . ASP . 17255 1 53 . LYS . 17255 1 54 . GLY . 17255 1 55 . ILE . 17255 1 56 . TYR . 17255 1 57 . VAL . 17255 1 58 . THR . 17255 1 59 . ARG . 17255 1 60 . VAL . 17255 1 61 . SER . 17255 1 62 . GLU . 17255 1 63 . GLY . 17255 1 64 . GLY . 17255 1 65 . PRO . 17255 1 66 . ALA . 17255 1 67 . GLU . 17255 1 68 . ILE . 17255 1 69 . ALA . 17255 1 70 . GLY . 17255 1 71 . LEU . 17255 1 72 . GLN . 17255 1 73 . ILE . 17255 1 74 . GLY . 17255 1 75 . ASP . 17255 1 76 . LYS . 17255 1 77 . ILE . 17255 1 78 . MET . 17255 1 79 . GLN . 17255 1 80 . VAL . 17255 1 81 . ASN . 17255 1 82 . GLY . 17255 1 83 . TRP . 17255 1 84 . ASP . 17255 1 85 . MET . 17255 1 86 . THR . 17255 1 87 . MET . 17255 1 88 . VAL . 17255 1 89 . THR . 17255 1 90 . HIS . 17255 1 91 . ASP . 17255 1 92 . GLN . 17255 1 93 . ALA . 17255 1 94 . ARG . 17255 1 95 . LYS . 17255 1 96 . ARG . 17255 1 97 . LEU . 17255 1 98 . THR . 17255 1 99 . LYS . 17255 1 100 . ARG . 17255 1 101 . SER . 17255 1 102 . GLU . 17255 1 103 . GLU . 17255 1 104 . VAL . 17255 1 105 . VAL . 17255 1 106 . ARG . 17255 1 107 . LEU . 17255 1 108 . LEU . 17255 1 109 . VAL . 17255 1 110 . THR . 17255 1 111 . ARG . 17255 1 112 . GLN . 17255 1 113 . SER . 17255 1 114 . LEU . 17255 1 115 . GLN . 17255 1 116 . LYS . 17255 1 117 . ALA . 17255 1 118 . VAL . 17255 1 119 . GLN . 17255 1 120 . GLN . 17255 1 121 . SER . 17255 1 122 . MET . 17255 1 123 . LEU . 17255 1 124 . SER . 17255 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17255 1 . SER 2 2 17255 1 . TYR 3 3 17255 1 . ILE 4 4 17255 1 . PRO 5 5 17255 1 . GLY 6 6 17255 1 . GLN 7 7 17255 1 . PRO 8 8 17255 1 . VAL 9 9 17255 1 . THR 10 10 17255 1 . ALA 11 11 17255 1 . VAL 12 12 17255 1 . VAL 13 13 17255 1 . GLN 14 14 17255 1 . ARG 15 15 17255 1 . VAL 16 16 17255 1 . GLU 17 17 17255 1 . ILE 18 18 17255 1 . HIS 19 19 17255 1 . LYS 20 20 17255 1 . LEU 21 21 17255 1 . ARG 22 22 17255 1 . GLN 23 23 17255 1 . GLY 24 24 17255 1 . GLU 25 25 17255 1 . ASN 26 26 17255 1 . LEU 27 27 17255 1 . ILE 28 28 17255 1 . LEU 29 29 17255 1 . GLY 30 30 17255 1 . PHE 31 31 17255 1 . SER 32 32 17255 1 . ILE 33 33 17255 1 . GLY 34 34 17255 1 . GLY 35 35 17255 1 . GLY 36 36 17255 1 . ILE 37 37 17255 1 . ASP 38 38 17255 1 . GLN 39 39 17255 1 . ASP 40 40 17255 1 . PRO 41 41 17255 1 . SER 42 42 17255 1 . GLN 43 43 17255 1 . ASN 44 44 17255 1 . PRO 45 45 17255 1 . PHE 46 46 17255 1 . SER 47 47 17255 1 . GLU 48 48 17255 1 . ASP 49 49 17255 1 . LYS 50 50 17255 1 . THR 51 51 17255 1 . ASP 52 52 17255 1 . LYS 53 53 17255 1 . GLY 54 54 17255 1 . ILE 55 55 17255 1 . TYR 56 56 17255 1 . VAL 57 57 17255 1 . THR 58 58 17255 1 . ARG 59 59 17255 1 . VAL 60 60 17255 1 . SER 61 61 17255 1 . GLU 62 62 17255 1 . GLY 63 63 17255 1 . GLY 64 64 17255 1 . PRO 65 65 17255 1 . ALA 66 66 17255 1 . GLU 67 67 17255 1 . ILE 68 68 17255 1 . ALA 69 69 17255 1 . GLY 70 70 17255 1 . LEU 71 71 17255 1 . GLN 72 72 17255 1 . ILE 73 73 17255 1 . GLY 74 74 17255 1 . ASP 75 75 17255 1 . LYS 76 76 17255 1 . ILE 77 77 17255 1 . MET 78 78 17255 1 . GLN 79 79 17255 1 . VAL 80 80 17255 1 . ASN 81 81 17255 1 . GLY 82 82 17255 1 . TRP 83 83 17255 1 . ASP 84 84 17255 1 . MET 85 85 17255 1 . THR 86 86 17255 1 . MET 87 87 17255 1 . VAL 88 88 17255 1 . THR 89 89 17255 1 . HIS 90 90 17255 1 . ASP 91 91 17255 1 . GLN 92 92 17255 1 . ALA 93 93 17255 1 . ARG 94 94 17255 1 . LYS 95 95 17255 1 . ARG 96 96 17255 1 . LEU 97 97 17255 1 . THR 98 98 17255 1 . LYS 99 99 17255 1 . ARG 100 100 17255 1 . SER 101 101 17255 1 . GLU 102 102 17255 1 . GLU 103 103 17255 1 . VAL 104 104 17255 1 . VAL 105 105 17255 1 . ARG 106 106 17255 1 . LEU 107 107 17255 1 . LEU 108 108 17255 1 . VAL 109 109 17255 1 . THR 110 110 17255 1 . ARG 111 111 17255 1 . GLN 112 112 17255 1 . SER 113 113 17255 1 . LEU 114 114 17255 1 . GLN 115 115 17255 1 . LYS 116 116 17255 1 . ALA 117 117 17255 1 . VAL 118 118 17255 1 . GLN 119 119 17255 1 . GLN 120 120 17255 1 . SER 121 121 17255 1 . MET 122 122 17255 1 . LEU 123 123 17255 1 . SER 124 124 17255 1 stop_ save_ save_Glutaminase_L_peptide _Entity.Sf_category entity _Entity.Sf_framecode Glutaminase_L_peptide _Entity.Entry_ID 17255 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Glutaminase_L_peptide _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code KENLESMV _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 8 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 950.092 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 161 LYS . 17255 2 2 162 GLU . 17255 2 3 163 ASN . 17255 2 4 164 LEU . 17255 2 5 165 GLU . 17255 2 6 166 SER . 17255 2 7 167 MET . 17255 2 8 168 VAL . 17255 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 . LYS 1 1 17255 2 . GLU 2 2 17255 2 . ASN 3 3 17255 2 . LEU 4 4 17255 2 . GLU 5 5 17255 2 . SER 6 6 17255 2 . MET 7 7 17255 2 . VAL 8 8 17255 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 17255 _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 $Glutaminase_Interacting_Protein_3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17255 1 2 2 $Glutaminase_L_peptide . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17255 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 17255 _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 $Glutaminase_Interacting_Protein_3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) pLysS . . . . . . . . . . . . . . pET-3c/GIP . . . . . . 17255 1 2 2 $Glutaminase_L_peptide . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17255 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17255 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Glutaminase Interacting Protein 3' '[U-99% 13C; U-99% 15N]' . . 1 $Glutaminase_Interacting_Protein_3 . . 0.5-1 . . mM . . . . 17255 1 2 'Glutaminase L peptide' 'natural abundance' . . 2 $Glutaminase_L_peptide . . 1-3 . . mM . . . . 17255 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17255 1 4 'sodium azide' 'natural abundance' . . . . . . 0.1 . . '% w/v' . . . . 17255 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 17255 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17255 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17255 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17255 _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' 50 . mM 17255 1 pH 6.5 . pH 17255 1 pressure 1 . atm 17255 1 temperature 273 . K 17255 1 stop_ save_ ############################ # Computer software used # ############################ save_Aria _Software.Sf_category software _Software.Sf_framecode Aria _Software.Entry_ID 17255 _Software.ID 1 _Software.Name ARIA _Software.Version 1.1 _Software.Details 'ARIA 1.1 is using CNS 1.1. M. Nilges and S.I. O'Donoghue. Ambiguous NOEs and automated NOE assignment. Prog.NMR spectr. 32:107-139, 1998.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Dr. Michael Nilges, Institut Pasteur' ; Unite de Bioinformatique Structurale, Institut Pasteur, 25-28 rue du Dr Roux, 75015 Paris, France ; nilges@pasteur.fr 17255 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Automated NOE assignment' 17255 1 'NMR structure calculation' 17255 1 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 17255 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17255 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17255 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 17255 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17255 _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 . . . 17255 1 2 spectrometer_2 Bruker Avance . 600 . . . 17255 1 3 spectrometer_3 Bruker Avance . 600 . . . 17255 1 4 spectrometer_4 Varian INOVA . 500 . . . 17255 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 17255 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17255 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17255 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17255 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17255 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17255 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17255 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17255 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17255 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17255 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17255 1 11 '3D 1H-13C FILTERED NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17255 1 12 '3D 1H-15N FILTERED NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17255 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 17255 _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 water protons . . . . ppm 4.73 internal indirect 0.251449530 . . . . . . . . . 17255 1 H 1 water protons . . . . ppm 4.73 internal direct 1.0 . . . . . . . . . 17255 1 N 15 water protons . . . . ppm 4.73 internal indirect 0.101329118 . . . . . . . . . 17255 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_chemical_shift_set _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set _Assigned_chem_shift_list.Entry_ID 17255 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Derived from the file: /home/ovee/ovee/aria/062810/peaks_run/run1/data/N15/N15.ppm' _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 '2D 1H-15N HSQC' . . . 17255 1 2 '2D 1H-13C HSQC' . . . 17255 1 3 '3D HNCACB' . . . 17255 1 4 '3D CBCA(CO)NH' . . . 17255 1 5 '3D C(CO)NH' . . . 17255 1 6 '3D H(CCO)NH' . . . 17255 1 7 '3D 1H-15N TOCSY' . . . 17255 1 9 '3D 1H-15N NOESY' . . . 17255 1 10 '3D 1H-13C NOESY' . . . 17255 1 11 '3D 1H-13C FILTERED NOESY' . . . 17255 1 12 '3D 1H-15N FILTERED NOESY' . . . 17255 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HE1 H 1 1.969 0.020 . 1 . . . . 1 M QE . 17255 1 2 . 1 1 1 1 MET HE2 H 1 1.969 0.020 . 1 . . . . 1 M QE . 17255 1 3 . 1 1 1 1 MET HE3 H 1 1.969 0.020 . 1 . . . . 1 M QE . 17255 1 4 . 1 1 1 1 MET CE C 13 24.605 0.107 . 1 . . . . 1 M CE . 17255 1 5 . 1 1 2 2 SER H H 1 8.157 0.009 . 1 . . . . 2 S HN . 17255 1 6 . 1 1 2 2 SER HA H 1 4.341 0.007 . 1 . . . . 2 S HA . 17255 1 7 . 1 1 2 2 SER HB2 H 1 3.697 0.002 . 2 . . . . 2 S QB . 17255 1 8 . 1 1 2 2 SER HB3 H 1 3.697 0.002 . 2 . . . . 2 S QB . 17255 1 9 . 1 1 2 2 SER CA C 13 58.313 0.083 . 1 . . . . 2 S CA . 17255 1 10 . 1 1 2 2 SER CB C 13 64.004 0.117 . 1 . . . . 2 S CB . 17255 1 11 . 1 1 2 2 SER N N 15 121.525 0.055 . 1 . . . . 2 S N . 17255 1 12 . 1 1 3 3 TYR H H 1 8.112 0.009 . 1 . . . . 3 Y HN . 17255 1 13 . 1 1 3 3 TYR HA H 1 4.546 0.008 . 1 . . . . 3 Y HA . 17255 1 14 . 1 1 3 3 TYR HB2 H 1 2.942 0.009 . 2 . . . . 3 Y HB2 . 17255 1 15 . 1 1 3 3 TYR HB3 H 1 2.820 0.022 . 2 . . . . 3 Y HB3 . 17255 1 16 . 1 1 3 3 TYR HD1 H 1 6.992 0.008 . 3 . . . . 3 Y QD . 17255 1 17 . 1 1 3 3 TYR HD2 H 1 6.992 0.008 . 3 . . . . 3 Y QD . 17255 1 18 . 1 1 3 3 TYR CA C 13 57.993 0.173 . 1 . . . . 3 Y CA . 17255 1 19 . 1 1 3 3 TYR CB C 13 39.021 0.177 . 1 . . . . 3 Y CB . 17255 1 20 . 1 1 3 3 TYR N N 15 122.397 0.057 . 1 . . . . 3 Y N . 17255 1 21 . 1 1 4 4 ILE H H 1 8.009 0.006 . 1 . . . . 4 I HN . 17255 1 22 . 1 1 4 4 ILE HA H 1 4.258 0.005 . 1 . . . . 4 I HA . 17255 1 23 . 1 1 4 4 ILE HB H 1 1.608 0.006 . 1 . . . . 4 I HB . 17255 1 24 . 1 1 4 4 ILE HG12 H 1 1.349 0.012 . 2 . . . . 4 I HG12 . 17255 1 25 . 1 1 4 4 ILE HG13 H 1 0.973 0.008 . 2 . . . . 4 I HG13 . 17255 1 26 . 1 1 4 4 ILE HG21 H 1 0.765 0.003 . 1 . . . . 4 I QG2 . 17255 1 27 . 1 1 4 4 ILE HG22 H 1 0.765 0.003 . 1 . . . . 4 I QG2 . 17255 1 28 . 1 1 4 4 ILE HG23 H 1 0.765 0.003 . 1 . . . . 4 I QG2 . 17255 1 29 . 1 1 4 4 ILE HD11 H 1 0.726 0.010 . 1 . . . . 4 I QD1 . 17255 1 30 . 1 1 4 4 ILE HD12 H 1 0.726 0.010 . 1 . . . . 4 I QD1 . 17255 1 31 . 1 1 4 4 ILE HD13 H 1 0.726 0.010 . 1 . . . . 4 I QD1 . 17255 1 32 . 1 1 4 4 ILE CA C 13 57.781 0.123 . 1 . . . . 4 I CA . 17255 1 33 . 1 1 4 4 ILE CB C 13 39.215 0.089 . 1 . . . . 4 I CB . 17255 1 34 . 1 1 4 4 ILE CG1 C 13 26.832 0.070 . 1 . . . . 4 I CG1 . 17255 1 35 . 1 1 4 4 ILE CG2 C 13 16.826 0.101 . 1 . . . . 4 I CG2 . 17255 1 36 . 1 1 4 4 ILE CD1 C 13 12.858 0.246 . 1 . . . . 4 I CD1 . 17255 1 37 . 1 1 4 4 ILE N N 15 127.694 0.061 . 1 . . . . 4 I N . 17255 1 38 . 1 1 5 5 PRO HA H 1 4.164 0.004 . 1 . . . . 5 P HA . 17255 1 39 . 1 1 5 5 PRO HB2 H 1 2.235 0.010 . 2 . . . . 5 P HB2 . 17255 1 40 . 1 1 5 5 PRO HB3 H 1 1.842 0.010 . 2 . . . . 5 P HB3 . 17255 1 41 . 1 1 5 5 PRO HG2 H 1 1.956 0.012 . 2 . . . . 5 P HG2 . 17255 1 42 . 1 1 5 5 PRO HG3 H 1 1.888 0.007 . 2 . . . . 5 P HG3 . 17255 1 43 . 1 1 5 5 PRO HD2 H 1 3.588 0.013 . 2 . . . . 5 P HD2 . 17255 1 44 . 1 1 5 5 PRO HD3 H 1 3.558 0.010 . 2 . . . . 5 P HD3 . 17255 1 45 . 1 1 5 5 PRO CA C 13 63.449 0.052 . 1 . . . . 5 P CA . 17255 1 46 . 1 1 5 5 PRO CB C 13 31.983 0.210 . 1 . . . . 5 P CB . 17255 1 47 . 1 1 5 5 PRO CG C 13 27.372 0.141 . 1 . . . . 5 P CG . 17255 1 48 . 1 1 5 5 PRO CD C 13 50.786 0.203 . 1 . . . . 5 P CD . 17255 1 49 . 1 1 6 6 GLY H H 1 8.416 0.008 . 1 . . . . 6 G HN . 17255 1 50 . 1 1 6 6 GLY HA2 H 1 3.773 0.009 . 1 . . . . 6 G HA1 . 17255 1 51 . 1 1 6 6 GLY HA3 H 1 3.938 0.010 . 2 . . . . 6 G HA2 . 17255 1 52 . 1 1 6 6 GLY CA C 13 45.191 0.163 . 1 . . . . 6 G CA . 17255 1 53 . 1 1 6 6 GLY N N 15 110.047 0.049 . 1 . . . . 6 G N . 17255 1 54 . 1 1 7 7 GLN H H 1 7.972 0.008 . 1 . . . . 7 Q HN . 17255 1 55 . 1 1 7 7 GLN HA H 1 4.564 0.011 . 1 . . . . 7 Q HA . 17255 1 56 . 1 1 7 7 GLN HB2 H 1 2.016 0.008 . 2 . . . . 7 Q HB2 . 17255 1 57 . 1 1 7 7 GLN HB3 H 1 1.884 0.017 . 2 . . . . 7 Q HB3 . 17255 1 58 . 1 1 7 7 GLN HG2 H 1 2.260 0.012 . 2 . . . . 7 Q QG . 17255 1 59 . 1 1 7 7 GLN HG3 H 1 2.260 0.012 . 2 . . . . 7 Q QG . 17255 1 60 . 1 1 7 7 GLN HE21 H 1 7.503 0.004 . 2 . . . . 7 Q HE21 . 17255 1 61 . 1 1 7 7 GLN HE22 H 1 6.815 0.004 . 2 . . . . 7 Q HE22 . 17255 1 62 . 1 1 7 7 GLN CA C 13 53.541 0.033 . 1 . . . . 7 Q CA . 17255 1 63 . 1 1 7 7 GLN CB C 13 29.191 0.217 . 1 . . . . 7 Q CB . 17255 1 64 . 1 1 7 7 GLN CG C 13 33.609 0.157 . 1 . . . . 7 Q CG . 17255 1 65 . 1 1 7 7 GLN N N 15 120.547 0.055 . 1 . . . . 7 Q N . 17255 1 66 . 1 1 7 7 GLN NE2 N 15 112.516 0.080 . 1 . . . . 7 Q NE2 . 17255 1 67 . 1 1 8 8 PRO HA H 1 4.406 0.006 . 1 . . . . 8 P HA . 17255 1 68 . 1 1 8 8 PRO HB2 H 1 2.210 0.008 . 2 . . . . 8 P HB2 . 17255 1 69 . 1 1 8 8 PRO HB3 H 1 1.822 0.002 . 2 . . . . 8 P HB3 . 17255 1 70 . 1 1 8 8 PRO HG2 H 1 1.931 0.005 . 2 . . . . 8 P HG2 . 17255 1 71 . 1 1 8 8 PRO HG3 H 1 1.959 0.005 . 2 . . . . 8 P HG3 . 17255 1 72 . 1 1 8 8 PRO HD2 H 1 3.728 0.005 . 2 . . . . 8 P HD2 . 17255 1 73 . 1 1 8 8 PRO HD3 H 1 3.570 0.006 . 2 . . . . 8 P HD3 . 17255 1 74 . 1 1 8 8 PRO CA C 13 63.097 0.113 . 1 . . . . 8 P CA . 17255 1 75 . 1 1 8 8 PRO CB C 13 32.022 0.161 . 1 . . . . 8 P CB . 17255 1 76 . 1 1 8 8 PRO CG C 13 27.340 0.064 . 1 . . . . 8 P CG . 17255 1 77 . 1 1 8 8 PRO CD C 13 50.506 0.198 . 1 . . . . 8 P CD . 17255 1 78 . 1 1 9 9 VAL H H 1 8.292 0.009 . 1 . . . . 9 V HN . 17255 1 79 . 1 1 9 9 VAL HA H 1 4.167 0.009 . 1 . . . . 9 V HA . 17255 1 80 . 1 1 9 9 VAL HB H 1 1.995 0.010 . 1 . . . . 9 V HB . 17255 1 81 . 1 1 9 9 VAL HG11 H 1 0.874 0.009 . 1 . . . . 9 V QG1 . 17255 1 82 . 1 1 9 9 VAL HG12 H 1 0.874 0.009 . 1 . . . . 9 V QG1 . 17255 1 83 . 1 1 9 9 VAL HG13 H 1 0.874 0.009 . 1 . . . . 9 V QG1 . 17255 1 84 . 1 1 9 9 VAL HG21 H 1 0.846 0.005 . 1 . . . . 9 V QG2 . 17255 1 85 . 1 1 9 9 VAL HG22 H 1 0.846 0.005 . 1 . . . . 9 V QG2 . 17255 1 86 . 1 1 9 9 VAL HG23 H 1 0.846 0.005 . 1 . . . . 9 V QG2 . 17255 1 87 . 1 1 9 9 VAL CA C 13 62.222 0.179 . 1 . . . . 9 V CA . 17255 1 88 . 1 1 9 9 VAL CB C 13 32.996 0.207 . 1 . . . . 9 V CB . 17255 1 89 . 1 1 9 9 VAL CG1 C 13 20.970 0.228 . 2 . . . . 9 V CG1 . 17255 1 90 . 1 1 9 9 VAL CG2 C 13 18.866 0.178 . 2 . . . . 9 V CG2 . 17255 1 91 . 1 1 9 9 VAL N N 15 120.591 0.063 . 1 . . . . 9 V N . 17255 1 92 . 1 1 10 10 THR H H 1 8.240 0.008 . 1 . . . . 10 T HN . 17255 1 93 . 1 1 10 10 THR HA H 1 4.310 0.006 . 1 . . . . 10 T HA . 17255 1 94 . 1 1 10 10 THR HB H 1 4.144 0.007 . 1 . . . . 10 T HB . 17255 1 95 . 1 1 10 10 THR HG21 H 1 1.108 0.005 . 1 . . . . 10 T QG2 . 17255 1 96 . 1 1 10 10 THR HG22 H 1 1.108 0.005 . 1 . . . . 10 T QG2 . 17255 1 97 . 1 1 10 10 THR HG23 H 1 1.108 0.005 . 1 . . . . 10 T QG2 . 17255 1 98 . 1 1 10 10 THR CA C 13 61.631 0.170 . 1 . . . . 10 T CA . 17255 1 99 . 1 1 10 10 THR CB C 13 70.009 0.142 . 1 . . . . 10 T CB . 17255 1 100 . 1 1 10 10 THR CG2 C 13 21.537 0.078 . 1 . . . . 10 T CG2 . 17255 1 101 . 1 1 10 10 THR N N 15 117.745 0.066 . 1 . . . . 10 T N . 17255 1 102 . 1 1 11 11 ALA H H 1 8.052 0.010 . 1 . . . . 11 A HN . 17255 1 103 . 1 1 11 11 ALA HA H 1 4.528 0.012 . 1 . . . . 11 A HA . 17255 1 104 . 1 1 11 11 ALA HB1 H 1 1.242 0.008 . 1 . . . . 11 A QB . 17255 1 105 . 1 1 11 11 ALA HB2 H 1 1.242 0.008 . 1 . . . . 11 A QB . 17255 1 106 . 1 1 11 11 ALA HB3 H 1 1.242 0.008 . 1 . . . . 11 A QB . 17255 1 107 . 1 1 11 11 ALA CA C 13 51.899 0.173 . 1 . . . . 11 A CA . 17255 1 108 . 1 1 11 11 ALA CB C 13 19.927 0.161 . 1 . . . . 11 A CB . 17255 1 109 . 1 1 11 11 ALA N N 15 126.513 0.056 . 1 . . . . 11 A N . 17255 1 110 . 1 1 12 12 VAL H H 1 8.498 0.007 . 1 . . . . 12 V HN . 17255 1 111 . 1 1 12 12 VAL HA H 1 4.203 0.006 . 1 . . . . 12 V HA . 17255 1 112 . 1 1 12 12 VAL HB H 1 1.968 0.004 . 1 . . . . 12 V HB . 17255 1 113 . 1 1 12 12 VAL HG11 H 1 0.832 0.004 . 1 . . . . 12 V QG1 . 17255 1 114 . 1 1 12 12 VAL HG12 H 1 0.832 0.004 . 1 . . . . 12 V QG1 . 17255 1 115 . 1 1 12 12 VAL HG13 H 1 0.832 0.004 . 1 . . . . 12 V QG1 . 17255 1 116 . 1 1 12 12 VAL HG21 H 1 0.825 0.006 . 1 . . . . 12 V QG2 . 17255 1 117 . 1 1 12 12 VAL HG22 H 1 0.825 0.006 . 1 . . . . 12 V QG2 . 17255 1 118 . 1 1 12 12 VAL HG23 H 1 0.825 0.006 . 1 . . . . 12 V QG2 . 17255 1 119 . 1 1 12 12 VAL CA C 13 61.544 0.075 . 1 . . . . 12 V CA . 17255 1 120 . 1 1 12 12 VAL CB C 13 33.505 0.265 . 1 . . . . 12 V CB . 17255 1 121 . 1 1 12 12 VAL CG1 C 13 20.661 0.101 . 2 . . . . 12 V CG1 . 17255 1 122 . 1 1 12 12 VAL CG2 C 13 21.208 0.186 . 2 . . . . 12 V CG2 . 17255 1 123 . 1 1 12 12 VAL N N 15 120.320 0.053 . 1 . . . . 12 V N . 17255 1 124 . 1 1 13 13 VAL H H 1 8.091 0.005 . 1 . . . . 13 V HN . 17255 1 125 . 1 1 13 13 VAL HA H 1 4.846 0.015 . 1 . . . . 13 V HA . 17255 1 126 . 1 1 13 13 VAL HB H 1 1.802 0.008 . 1 . . . . 13 V HB . 17255 1 127 . 1 1 13 13 VAL HG11 H 1 0.742 0.008 . 1 . . . . 13 V QG1 . 17255 1 128 . 1 1 13 13 VAL HG12 H 1 0.742 0.008 . 1 . . . . 13 V QG1 . 17255 1 129 . 1 1 13 13 VAL HG13 H 1 0.742 0.008 . 1 . . . . 13 V QG1 . 17255 1 130 . 1 1 13 13 VAL HG21 H 1 0.803 0.015 . 1 . . . . 13 V QG2 . 17255 1 131 . 1 1 13 13 VAL HG22 H 1 0.803 0.015 . 1 . . . . 13 V QG2 . 17255 1 132 . 1 1 13 13 VAL HG23 H 1 0.803 0.015 . 1 . . . . 13 V QG2 . 17255 1 133 . 1 1 13 13 VAL CA C 13 60.976 0.081 . 1 . . . . 13 V CA . 17255 1 134 . 1 1 13 13 VAL CB C 13 33.285 0.263 . 1 . . . . 13 V CB . 17255 1 135 . 1 1 13 13 VAL CG1 C 13 21.440 0.216 . 2 . . . . 13 V CG1 . 17255 1 136 . 1 1 13 13 VAL CG2 C 13 20.847 0.252 . 2 . . . . 13 V CG2 . 17255 1 137 . 1 1 13 13 VAL N N 15 123.775 0.071 . 1 . . . . 13 V N . 17255 1 138 . 1 1 14 14 GLN H H 1 9.018 0.008 . 1 . . . . 14 Q HN . 17255 1 139 . 1 1 14 14 GLN HA H 1 4.587 0.011 . 1 . . . . 14 Q HA . 17255 1 140 . 1 1 14 14 GLN HB2 H 1 1.556 0.012 . 2 . . . . 14 Q HB2 . 17255 1 141 . 1 1 14 14 GLN HB3 H 1 1.764 0.012 . 2 . . . . 14 Q HB3 . 17255 1 142 . 1 1 14 14 GLN HG2 H 1 2.043 0.011 . 2 . . . . 14 Q HG2 . 17255 1 143 . 1 1 14 14 GLN HG3 H 1 1.990 0.009 . 2 . . . . 14 Q HG3 . 17255 1 144 . 1 1 14 14 GLN HE21 H 1 7.109 0.001 . 2 . . . . 14 Q HE21 . 17255 1 145 . 1 1 14 14 GLN HE22 H 1 6.723 0.018 . 2 . . . . 14 Q HE22 . 17255 1 146 . 1 1 14 14 GLN CA C 13 53.958 0.103 . 1 . . . . 14 Q CA . 17255 1 147 . 1 1 14 14 GLN CB C 13 31.895 0.314 . 1 . . . . 14 Q CB . 17255 1 148 . 1 1 14 14 GLN CG C 13 32.911 0.032 . 1 . . . . 14 Q CG . 17255 1 149 . 1 1 14 14 GLN N N 15 124.782 0.054 . 1 . . . . 14 Q N . 17255 1 150 . 1 1 14 14 GLN NE2 N 15 111.111 0.029 . 1 . . . . 14 Q NE2 . 17255 1 151 . 1 1 15 15 ARG H H 1 8.569 0.009 . 1 . . . . 15 R HN . 17255 1 152 . 1 1 15 15 ARG HA H 1 5.057 0.012 . 1 . . . . 15 R HA . 17255 1 153 . 1 1 15 15 ARG HB2 H 1 1.715 0.008 . 2 . . . . 15 R HB2 . 17255 1 154 . 1 1 15 15 ARG HB3 H 1 1.584 0.009 . 2 . . . . 15 R HB3 . 17255 1 155 . 1 1 15 15 ARG HG2 H 1 1.474 0.005 . 2 . . . . 15 R HG2 . 17255 1 156 . 1 1 15 15 ARG HG3 H 1 1.390 0.008 . 2 . . . . 15 R HG3 . 17255 1 157 . 1 1 15 15 ARG HD2 H 1 3.062 0.006 . 2 . . . . 15 R QD . 17255 1 158 . 1 1 15 15 ARG HD3 H 1 3.062 0.006 . 2 . . . . 15 R QD . 17255 1 159 . 1 1 15 15 ARG CA C 13 55.234 0.060 . 1 . . . . 15 R CA . 17255 1 160 . 1 1 15 15 ARG CB C 13 31.427 0.082 . 1 . . . . 15 R CB . 17255 1 161 . 1 1 15 15 ARG CG C 13 27.650 0.217 . 1 . . . . 15 R CG . 17255 1 162 . 1 1 15 15 ARG CD C 13 43.281 0.185 . 1 . . . . 15 R CD . 17255 1 163 . 1 1 15 15 ARG N N 15 123.905 0.102 . 1 . . . . 15 R N . 17255 1 164 . 1 1 16 16 VAL H H 1 8.669 0.007 . 1 . . . . 16 V HN . 17255 1 165 . 1 1 16 16 VAL HA H 1 4.286 0.009 . 1 . . . . 16 V HA . 17255 1 166 . 1 1 16 16 VAL HB H 1 1.632 0.009 . 1 . . . . 16 V HB . 17255 1 167 . 1 1 16 16 VAL HG11 H 1 0.578 0.012 . 1 . . . . 16 V QG1 . 17255 1 168 . 1 1 16 16 VAL HG12 H 1 0.578 0.012 . 1 . . . . 16 V QG1 . 17255 1 169 . 1 1 16 16 VAL HG13 H 1 0.578 0.012 . 1 . . . . 16 V QG1 . 17255 1 170 . 1 1 16 16 VAL HG21 H 1 0.624 0.010 . 1 . . . . 16 V QG2 . 17255 1 171 . 1 1 16 16 VAL HG22 H 1 0.624 0.010 . 1 . . . . 16 V QG2 . 17255 1 172 . 1 1 16 16 VAL HG23 H 1 0.624 0.010 . 1 . . . . 16 V QG2 . 17255 1 173 . 1 1 16 16 VAL CA C 13 61.203 0.140 . 1 . . . . 16 V CA . 17255 1 174 . 1 1 16 16 VAL CB C 13 35.308 0.157 . 1 . . . . 16 V CB . 17255 1 175 . 1 1 16 16 VAL CG1 C 13 20.648 0.243 . 2 . . . . 16 V CG1 . 17255 1 176 . 1 1 16 16 VAL CG2 C 13 21.480 0.244 . 2 . . . . 16 V CG2 . 17255 1 177 . 1 1 16 16 VAL N N 15 124.788 0.053 . 1 . . . . 16 V N . 17255 1 178 . 1 1 17 17 GLU H H 1 9.037 0.009 . 1 . . . . 17 E HN . 17255 1 179 . 1 1 17 17 GLU HA H 1 5.059 0.009 . 1 . . . . 17 E HA . 17255 1 180 . 1 1 17 17 GLU HB2 H 1 1.868 0.008 . 2 . . . . 17 E QB . 17255 1 181 . 1 1 17 17 GLU HB3 H 1 1.868 0.008 . 2 . . . . 17 E QB . 17255 1 182 . 1 1 17 17 GLU HG2 H 1 1.881 0.009 . 2 . . . . 17 E HG2 . 17255 1 183 . 1 1 17 17 GLU HG3 H 1 1.755 0.005 . 2 . . . . 17 E HG3 . 17255 1 184 . 1 1 17 17 GLU CA C 13 55.121 0.103 . 1 . . . . 17 E CA . 17255 1 185 . 1 1 17 17 GLU CB C 13 31.717 0.130 . 1 . . . . 17 E CB . 17255 1 186 . 1 1 17 17 GLU CG C 13 37.584 0.056 . 1 . . . . 17 E CG . 17255 1 187 . 1 1 17 17 GLU N N 15 129.823 0.066 . 1 . . . . 17 E N . 17255 1 188 . 1 1 18 18 ILE H H 1 8.919 0.007 . 1 . . . . 18 I HN . 17255 1 189 . 1 1 18 18 ILE HA H 1 4.252 0.011 . 1 . . . . 18 I HA . 17255 1 190 . 1 1 18 18 ILE HB H 1 1.539 0.004 . 1 . . . . 18 I HB . 17255 1 191 . 1 1 18 18 ILE HG12 H 1 1.447 0.011 . 1 . . . . 18 I QG1 . 17255 1 192 . 1 1 18 18 ILE HG13 H 1 1.447 0.011 . 1 . . . . 18 I QG1 . 17255 1 193 . 1 1 18 18 ILE HG21 H 1 0.751 0.010 . 1 . . . . 18 I QG2 . 17255 1 194 . 1 1 18 18 ILE HG22 H 1 0.751 0.010 . 1 . . . . 18 I QG2 . 17255 1 195 . 1 1 18 18 ILE HG23 H 1 0.751 0.010 . 1 . . . . 18 I QG2 . 17255 1 196 . 1 1 18 18 ILE HD11 H 1 0.705 0.003 . 1 . . . . 18 I QD1 . 17255 1 197 . 1 1 18 18 ILE HD12 H 1 0.705 0.003 . 1 . . . . 18 I QD1 . 17255 1 198 . 1 1 18 18 ILE HD13 H 1 0.705 0.003 . 1 . . . . 18 I QD1 . 17255 1 199 . 1 1 18 18 ILE CA C 13 60.507 0.218 . 1 . . . . 18 I CA . 17255 1 200 . 1 1 18 18 ILE CB C 13 40.565 0.066 . 1 . . . . 18 I CB . 17255 1 201 . 1 1 18 18 ILE CG1 C 13 27.611 0.158 . 1 . . . . 18 I CG1 . 17255 1 202 . 1 1 18 18 ILE CG2 C 13 19.662 0.163 . 1 . . . . 18 I CG2 . 17255 1 203 . 1 1 18 18 ILE CD1 C 13 15.163 0.246 . 1 . . . . 18 I CD1 . 17255 1 204 . 1 1 18 18 ILE N N 15 123.907 0.079 . 1 . . . . 18 I N . 17255 1 205 . 1 1 19 19 HIS H H 1 8.807 0.015 . 1 . . . . 19 H HN . 17255 1 206 . 1 1 19 19 HIS HA H 1 4.800 0.009 . 1 . . . . 19 H HA . 17255 1 207 . 1 1 19 19 HIS HB2 H 1 3.161 0.008 . 2 . . . . 19 H HB2 . 17255 1 208 . 1 1 19 19 HIS HB3 H 1 3.109 0.010 . 2 . . . . 19 H HB3 . 17255 1 209 . 1 1 19 19 HIS HD2 H 1 7.191 0.009 . 1 . . . . 19 H HD2 . 17255 1 210 . 1 1 19 19 HIS CA C 13 54.686 0.328 . 1 . . . . 19 H CA . 17255 1 211 . 1 1 19 19 HIS CB C 13 28.869 0.080 . 1 . . . . 19 H CB . 17255 1 212 . 1 1 19 19 HIS N N 15 127.764 0.073 . 1 . . . . 19 H N . 17255 1 213 . 1 1 20 20 LYS H H 1 8.579 0.015 . 1 . . . . 20 K HN . 17255 1 214 . 1 1 20 20 LYS HA H 1 4.086 0.008 . 1 . . . . 20 K HA . 17255 1 215 . 1 1 20 20 LYS HB2 H 1 1.556 0.007 . 2 . . . . 20 K QB . 17255 1 216 . 1 1 20 20 LYS HB3 H 1 1.556 0.007 . 2 . . . . 20 K QB . 17255 1 217 . 1 1 20 20 LYS HG2 H 1 1.533 0.008 . 2 . . . . 20 K QG . 17255 1 218 . 1 1 20 20 LYS HG3 H 1 1.533 0.008 . 2 . . . . 20 K QG . 17255 1 219 . 1 1 20 20 LYS HD2 H 1 1.005 0.000 . 2 . . . . 20 K QD . 17255 1 220 . 1 1 20 20 LYS HD3 H 1 1.005 0.000 . 2 . . . . 20 K QD . 17255 1 221 . 1 1 20 20 LYS HE2 H 1 3.135 0.000 . 2 . . . . 20 K QE . 17255 1 222 . 1 1 20 20 LYS HE3 H 1 3.135 0.000 . 2 . . . . 20 K QE . 17255 1 223 . 1 1 20 20 LYS CA C 13 57.803 0.123 . 1 . . . . 20 K CA . 17255 1 224 . 1 1 20 20 LYS CB C 13 35.415 0.093 . 1 . . . . 20 K CB . 17255 1 225 . 1 1 20 20 LYS CG C 13 27.333 0.043 . 1 . . . . 20 K CG . 17255 1 226 . 1 1 20 20 LYS CD C 13 27.562 0.000 . 1 . . . . 20 K CD . 17255 1 227 . 1 1 20 20 LYS N N 15 122.931 0.134 . 1 . . . . 20 K N . 17255 1 228 . 1 1 21 21 LEU H H 1 8.855 0.010 . 1 . . . . 21 L HN . 17255 1 229 . 1 1 21 21 LEU HA H 1 4.556 0.012 . 1 . . . . 21 L HA . 17255 1 230 . 1 1 21 21 LEU HB2 H 1 1.604 0.013 . 2 . . . . 21 L HB2 . 17255 1 231 . 1 1 21 21 LEU HB3 H 1 1.452 0.016 . 2 . . . . 21 L HB3 . 17255 1 232 . 1 1 21 21 LEU HG H 1 1.378 0.016 . 1 . . . . 21 L HG . 17255 1 233 . 1 1 21 21 LEU HD11 H 1 0.907 0.008 . 1 . . . . 21 L QD1 . 17255 1 234 . 1 1 21 21 LEU HD12 H 1 0.907 0.008 . 1 . . . . 21 L QD1 . 17255 1 235 . 1 1 21 21 LEU HD13 H 1 0.907 0.008 . 1 . . . . 21 L QD1 . 17255 1 236 . 1 1 21 21 LEU HD21 H 1 0.832 0.000 . 1 . . . . 21 L QD2 . 17255 1 237 . 1 1 21 21 LEU HD22 H 1 0.832 0.000 . 1 . . . . 21 L QD2 . 17255 1 238 . 1 1 21 21 LEU HD23 H 1 0.832 0.000 . 1 . . . . 21 L QD2 . 17255 1 239 . 1 1 21 21 LEU CA C 13 53.470 0.110 . 1 . . . . 21 L CA . 17255 1 240 . 1 1 21 21 LEU CB C 13 45.533 0.283 . 1 . . . . 21 L CB . 17255 1 241 . 1 1 21 21 LEU CG C 13 26.821 0.024 . 1 . . . . 21 L CG . 17255 1 242 . 1 1 21 21 LEU CD1 C 13 23.627 0.091 . 2 . . . . 21 L CD1 . 17255 1 243 . 1 1 21 21 LEU CD2 C 13 25.494 0.000 . 2 . . . . 21 L CD2 . 17255 1 244 . 1 1 21 21 LEU N N 15 123.076 0.047 . 1 . . . . 21 L N . 17255 1 245 . 1 1 22 22 ARG H H 1 8.626 0.008 . 1 . . . . 22 R HN . 17255 1 246 . 1 1 22 22 ARG HA H 1 4.671 0.013 . 1 . . . . 22 R HA . 17255 1 247 . 1 1 22 22 ARG HB2 H 1 1.753 0.005 . 2 . . . . 22 R HB2 . 17255 1 248 . 1 1 22 22 ARG HB3 H 1 1.592 0.006 . 2 . . . . 22 R HB3 . 17255 1 249 . 1 1 22 22 ARG HG2 H 1 1.449 0.011 . 2 . . . . 22 R QG . 17255 1 250 . 1 1 22 22 ARG HG3 H 1 1.449 0.011 . 2 . . . . 22 R QG . 17255 1 251 . 1 1 22 22 ARG HD2 H 1 3.145 0.006 . 2 . . . . 22 R HD2 . 17255 1 252 . 1 1 22 22 ARG HD3 H 1 3.064 0.012 . 2 . . . . 22 R HD3 . 17255 1 253 . 1 1 22 22 ARG HE H 1 7.278 0.021 . 1 . . . . 22 R HE . 17255 1 254 . 1 1 22 22 ARG CA C 13 56.081 0.040 . 1 . . . . 22 R CA . 17255 1 255 . 1 1 22 22 ARG CB C 13 30.275 0.328 . 1 . . . . 22 R CB . 17255 1 256 . 1 1 22 22 ARG CG C 13 27.380 0.134 . 1 . . . . 22 R CG . 17255 1 257 . 1 1 22 22 ARG CD C 13 42.829 0.239 . 1 . . . . 22 R CD . 17255 1 258 . 1 1 22 22 ARG N N 15 126.534 0.066 . 1 . . . . 22 R N . 17255 1 259 . 1 1 22 22 ARG NE N 15 84.017 0.040 . 1 . . . . 22 R NE . 17255 1 260 . 1 1 23 23 GLN H H 1 8.628 0.005 . 1 . . . . 23 Q HN . 17255 1 261 . 1 1 23 23 GLN HA H 1 4.446 0.015 . 1 . . . . 23 Q HA . 17255 1 262 . 1 1 23 23 GLN HB2 H 1 1.907 0.011 . 2 . . . . 23 Q HB2 . 17255 1 263 . 1 1 23 23 GLN HB3 H 1 1.695 0.015 . 2 . . . . 23 Q HB3 . 17255 1 264 . 1 1 23 23 GLN HG2 H 1 2.097 0.010 . 2 . . . . 23 Q QG . 17255 1 265 . 1 1 23 23 GLN HG3 H 1 2.097 0.010 . 2 . . . . 23 Q QG . 17255 1 266 . 1 1 23 23 GLN HE21 H 1 7.439 0.008 . 2 . . . . 23 Q HE21 . 17255 1 267 . 1 1 23 23 GLN HE22 H 1 6.776 0.015 . 2 . . . . 23 Q HE22 . 17255 1 268 . 1 1 23 23 GLN CA C 13 54.760 0.196 . 1 . . . . 23 Q CA . 17255 1 269 . 1 1 23 23 GLN CB C 13 30.510 0.164 . 1 . . . . 23 Q CB . 17255 1 270 . 1 1 23 23 GLN CG C 13 33.866 0.257 . 1 . . . . 23 Q CG . 17255 1 271 . 1 1 23 23 GLN N N 15 129.278 0.062 . 1 . . . . 23 Q N . 17255 1 272 . 1 1 23 23 GLN NE2 N 15 111.736 0.055 . 1 . . . . 23 Q NE2 . 17255 1 273 . 1 1 24 24 GLY H H 1 8.969 0.016 . 1 . . . . 24 G HN . 17255 1 274 . 1 1 24 24 GLY HA2 H 1 3.962 0.010 . 1 . . . . 24 G HA1 . 17255 1 275 . 1 1 24 24 GLY HA3 H 1 3.573 0.011 . 2 . . . . 24 G HA2 . 17255 1 276 . 1 1 24 24 GLY CA C 13 46.960 0.151 . 1 . . . . 24 G CA . 17255 1 277 . 1 1 24 24 GLY N N 15 117.183 0.077 . 1 . . . . 24 G N . 17255 1 278 . 1 1 25 25 GLU H H 1 9.038 0.008 . 1 . . . . 25 E HN . 17255 1 279 . 1 1 25 25 GLU HA H 1 4.214 0.009 . 1 . . . . 25 E HA . 17255 1 280 . 1 1 25 25 GLU HB2 H 1 1.772 0.008 . 2 . . . . 25 E QB . 17255 1 281 . 1 1 25 25 GLU HB3 H 1 1.772 0.008 . 2 . . . . 25 E QB . 17255 1 282 . 1 1 25 25 GLU HG2 H 1 2.214 0.000 . 2 . . . . 25 E HG2 . 17255 1 283 . 1 1 25 25 GLU HG3 H 1 2.141 0.009 . 2 . . . . 25 E HG3 . 17255 1 284 . 1 1 25 25 GLU CA C 13 56.392 0.123 . 1 . . . . 25 E CA . 17255 1 285 . 1 1 25 25 GLU CB C 13 30.001 0.187 . 1 . . . . 25 E CB . 17255 1 286 . 1 1 25 25 GLU CG C 13 36.165 0.039 . 1 . . . . 25 E CG . 17255 1 287 . 1 1 25 25 GLU N N 15 126.285 0.069 . 1 . . . . 25 E N . 17255 1 288 . 1 1 26 26 ASN H H 1 7.931 0.007 . 1 . . . . 26 N HN . 17255 1 289 . 1 1 26 26 ASN HA H 1 4.823 0.006 . 1 . . . . 26 N HA . 17255 1 290 . 1 1 26 26 ASN HB2 H 1 2.762 0.008 . 2 . . . . 26 N HB2 . 17255 1 291 . 1 1 26 26 ASN HB3 H 1 2.644 0.012 . 2 . . . . 26 N HB3 . 17255 1 292 . 1 1 26 26 ASN HD21 H 1 7.628 0.006 . 2 . . . . 26 N HD21 . 17255 1 293 . 1 1 26 26 ASN HD22 H 1 6.983 0.006 . 2 . . . . 26 N HD22 . 17255 1 294 . 1 1 26 26 ASN CA C 13 52.390 0.073 . 1 . . . . 26 N CA . 17255 1 295 . 1 1 26 26 ASN CB C 13 41.240 0.167 . 1 . . . . 26 N CB . 17255 1 296 . 1 1 26 26 ASN N N 15 117.868 0.057 . 1 . . . . 26 N N . 17255 1 297 . 1 1 26 26 ASN ND2 N 15 114.311 0.039 . 1 . . . . 26 N ND2 . 17255 1 298 . 1 1 27 27 LEU H H 1 8.284 0.011 . 1 . . . . 27 L HN . 17255 1 299 . 1 1 27 27 LEU HA H 1 4.949 0.017 . 1 . . . . 27 L HA . 17255 1 300 . 1 1 27 27 LEU HB2 H 1 1.479 0.012 . 2 . . . . 27 L HB2 . 17255 1 301 . 1 1 27 27 LEU HB3 H 1 1.260 0.007 . 2 . . . . 27 L HB3 . 17255 1 302 . 1 1 27 27 LEU HG H 1 1.380 0.012 . 1 . . . . 27 L HG . 17255 1 303 . 1 1 27 27 LEU HD11 H 1 1.288 0.006 . 1 . . . . 27 L QD1 . 17255 1 304 . 1 1 27 27 LEU HD12 H 1 1.288 0.006 . 1 . . . . 27 L QD1 . 17255 1 305 . 1 1 27 27 LEU HD13 H 1 1.288 0.006 . 1 . . . . 27 L QD1 . 17255 1 306 . 1 1 27 27 LEU HD21 H 1 0.739 0.014 . 1 . . . . 27 L QD2 . 17255 1 307 . 1 1 27 27 LEU HD22 H 1 0.739 0.014 . 1 . . . . 27 L QD2 . 17255 1 308 . 1 1 27 27 LEU HD23 H 1 0.739 0.014 . 1 . . . . 27 L QD2 . 17255 1 309 . 1 1 27 27 LEU CA C 13 54.385 0.376 . 1 . . . . 27 L CA . 17255 1 310 . 1 1 27 27 LEU CB C 13 44.516 0.204 . 1 . . . . 27 L CB . 17255 1 311 . 1 1 27 27 LEU CG C 13 27.206 0.000 . 1 . . . . 27 L CG . 17255 1 312 . 1 1 27 27 LEU CD1 C 13 24.553 0.000 . 2 . . . . 27 L CD1 . 17255 1 313 . 1 1 27 27 LEU CD2 C 13 25.630 0.186 . 2 . . . . 27 L CD2 . 17255 1 314 . 1 1 27 27 LEU N N 15 123.213 0.075 . 1 . . . . 27 L N . 17255 1 315 . 1 1 28 28 ILE H H 1 8.902 0.011 . 1 . . . . 28 I HN . 17255 1 316 . 1 1 28 28 ILE HA H 1 4.628 0.008 . 1 . . . . 28 I HA . 17255 1 317 . 1 1 28 28 ILE HB H 1 1.904 0.007 . 1 . . . . 28 I HB . 17255 1 318 . 1 1 28 28 ILE HG12 H 1 1.382 0.014 . 2 . . . . 28 I HG12 . 17255 1 319 . 1 1 28 28 ILE HG13 H 1 1.009 0.017 . 2 . . . . 28 I HG13 . 17255 1 320 . 1 1 28 28 ILE HG21 H 1 0.763 0.012 . 1 . . . . 28 I QG2 . 17255 1 321 . 1 1 28 28 ILE HG22 H 1 0.763 0.012 . 1 . . . . 28 I QG2 . 17255 1 322 . 1 1 28 28 ILE HG23 H 1 0.763 0.012 . 1 . . . . 28 I QG2 . 17255 1 323 . 1 1 28 28 ILE HD11 H 1 0.743 0.017 . 1 . . . . 28 I QD1 . 17255 1 324 . 1 1 28 28 ILE HD12 H 1 0.743 0.017 . 1 . . . . 28 I QD1 . 17255 1 325 . 1 1 28 28 ILE HD13 H 1 0.743 0.017 . 1 . . . . 28 I QD1 . 17255 1 326 . 1 1 28 28 ILE CA C 13 59.684 0.000 . 1 . . . . 28 I CA . 17255 1 327 . 1 1 28 28 ILE CB C 13 42.522 0.181 . 1 . . . . 28 I CB . 17255 1 328 . 1 1 28 28 ILE CG1 C 13 26.678 0.037 . 1 . . . . 28 I CG1 . 17255 1 329 . 1 1 28 28 ILE CG2 C 13 18.814 0.324 . 1 . . . . 28 I CG2 . 17255 1 330 . 1 1 28 28 ILE CD1 C 13 13.632 0.607 . 1 . . . . 28 I CD1 . 17255 1 331 . 1 1 28 28 ILE N N 15 119.351 0.108 . 1 . . . . 28 I N . 17255 1 332 . 1 1 29 29 LEU H H 1 10.951 0.011 . 1 . . . . 29 L HN . 17255 1 333 . 1 1 29 29 LEU HA H 1 4.332 0.009 . 1 . . . . 29 L HA . 17255 1 334 . 1 1 29 29 LEU HB2 H 1 1.607 0.000 . 2 . . . . 29 L QB . 17255 1 335 . 1 1 29 29 LEU HB3 H 1 1.607 0.000 . 2 . . . . 29 L QB . 17255 1 336 . 1 1 29 29 LEU HG H 1 1.501 0.009 . 1 . . . . 29 L HG . 17255 1 337 . 1 1 29 29 LEU HD11 H 1 0.890 0.006 . 1 . . . . 29 L QD1 . 17255 1 338 . 1 1 29 29 LEU HD12 H 1 0.890 0.006 . 1 . . . . 29 L QD1 . 17255 1 339 . 1 1 29 29 LEU HD13 H 1 0.890 0.006 . 1 . . . . 29 L QD1 . 17255 1 340 . 1 1 29 29 LEU HD21 H 1 0.758 0.004 . 1 . . . . 29 L QD2 . 17255 1 341 . 1 1 29 29 LEU HD22 H 1 0.758 0.004 . 1 . . . . 29 L QD2 . 17255 1 342 . 1 1 29 29 LEU HD23 H 1 0.758 0.004 . 1 . . . . 29 L QD2 . 17255 1 343 . 1 1 29 29 LEU CA C 13 55.691 0.080 . 1 . . . . 29 L CA . 17255 1 344 . 1 1 29 29 LEU CB C 13 44.463 0.044 . 1 . . . . 29 L CB . 17255 1 345 . 1 1 29 29 LEU CG C 13 27.320 0.000 . 1 . . . . 29 L CG . 17255 1 346 . 1 1 29 29 LEU CD1 C 13 27.183 0.157 . 2 . . . . 29 L CD1 . 17255 1 347 . 1 1 29 29 LEU CD2 C 13 27.305 0.145 . 2 . . . . 29 L CD2 . 17255 1 348 . 1 1 29 29 LEU N N 15 124.679 0.166 . 1 . . . . 29 L N . 17255 1 349 . 1 1 30 30 GLY H H 1 9.334 0.010 . 1 . . . . 30 G HN . 17255 1 350 . 1 1 30 30 GLY HA2 H 1 4.006 0.006 . 1 . . . . 30 G HA1 . 17255 1 351 . 1 1 30 30 GLY HA3 H 1 4.154 0.006 . 2 . . . . 30 G HA2 . 17255 1 352 . 1 1 30 30 GLY CA C 13 46.146 0.027 . 1 . . . . 30 G CA . 17255 1 353 . 1 1 30 30 GLY N N 15 107.432 0.058 . 1 . . . . 30 G N . 17255 1 354 . 1 1 31 31 PHE H H 1 7.408 0.000 . 1 . . . . 31 F HN . 17255 1 355 . 1 1 31 31 PHE HA H 1 5.002 0.007 . 1 . . . . 31 F HA . 17255 1 356 . 1 1 31 31 PHE HB2 H 1 2.885 0.013 . 2 . . . . 31 F HB2 . 17255 1 357 . 1 1 31 31 PHE HB3 H 1 3.647 0.000 . 2 . . . . 31 F HB3 . 17255 1 358 . 1 1 31 31 PHE CA C 13 56.653 0.212 . 1 . . . . 31 F CA . 17255 1 359 . 1 1 31 31 PHE CB C 13 39.742 0.126 . 1 . . . . 31 F CB . 17255 1 360 . 1 1 31 31 PHE N N 15 117.124 0.000 . 1 . . . . 31 F N . 17255 1 361 . 1 1 32 32 SER H H 1 8.630 0.009 . 1 . . . . 32 S HN . 17255 1 362 . 1 1 32 32 SER HA H 1 5.814 0.009 . 1 . . . . 32 S HA . 17255 1 363 . 1 1 32 32 SER HB2 H 1 3.558 0.008 . 2 . . . . 32 S QB . 17255 1 364 . 1 1 32 32 SER HB3 H 1 3.558 0.008 . 2 . . . . 32 S QB . 17255 1 365 . 1 1 32 32 SER CA C 13 56.286 0.108 . 1 . . . . 32 S CA . 17255 1 366 . 1 1 32 32 SER CB C 13 65.930 0.153 . 1 . . . . 32 S CB . 17255 1 367 . 1 1 32 32 SER N N 15 112.923 0.109 . 1 . . . . 32 S N . 17255 1 368 . 1 1 33 33 ILE H H 1 8.694 0.010 . 1 . . . . 33 I HN . 17255 1 369 . 1 1 33 33 ILE HA H 1 5.781 0.006 . 1 . . . . 33 I HA . 17255 1 370 . 1 1 33 33 ILE HB H 1 1.692 0.006 . 1 . . . . 33 I HB . 17255 1 371 . 1 1 33 33 ILE HG12 H 1 1.387 0.016 . 1 . . . . 33 I QG1 . 17255 1 372 . 1 1 33 33 ILE HG13 H 1 1.387 0.016 . 1 . . . . 33 I QG1 . 17255 1 373 . 1 1 33 33 ILE HG21 H 1 0.749 0.011 . 1 . . . . 33 I QG2 . 17255 1 374 . 1 1 33 33 ILE HG22 H 1 0.749 0.011 . 1 . . . . 33 I QG2 . 17255 1 375 . 1 1 33 33 ILE HG23 H 1 0.749 0.011 . 1 . . . . 33 I QG2 . 17255 1 376 . 1 1 33 33 ILE HD11 H 1 0.191 0.008 . 1 . . . . 33 I QD1 . 17255 1 377 . 1 1 33 33 ILE HD12 H 1 0.191 0.008 . 1 . . . . 33 I QD1 . 17255 1 378 . 1 1 33 33 ILE HD13 H 1 0.191 0.008 . 1 . . . . 33 I QD1 . 17255 1 379 . 1 1 33 33 ILE CA C 13 58.253 0.319 . 1 . . . . 33 I CA . 17255 1 380 . 1 1 33 33 ILE CB C 13 43.397 0.084 . 1 . . . . 33 I CB . 17255 1 381 . 1 1 33 33 ILE CG1 C 13 26.682 0.063 . 1 . . . . 33 I CG1 . 17255 1 382 . 1 1 33 33 ILE CG2 C 13 20.174 0.127 . 1 . . . . 33 I CG2 . 17255 1 383 . 1 1 33 33 ILE CD1 C 13 13.604 0.212 . 1 . . . . 33 I CD1 . 17255 1 384 . 1 1 33 33 ILE N N 15 113.209 0.086 . 1 . . . . 33 I N . 17255 1 385 . 1 1 34 34 GLY H H 1 9.050 0.011 . 1 . . . . 34 G HN . 17255 1 386 . 1 1 34 34 GLY HA2 H 1 3.776 0.008 . 1 . . . . 34 G HA1 . 17255 1 387 . 1 1 34 34 GLY HA3 H 1 4.817 0.013 . 2 . . . . 34 G HA2 . 17255 1 388 . 1 1 34 34 GLY CA C 13 43.545 0.140 . 1 . . . . 34 G CA . 17255 1 389 . 1 1 34 34 GLY N N 15 108.490 0.108 . 1 . . . . 34 G N . 17255 1 390 . 1 1 35 35 GLY H H 1 9.485 0.021 . 1 . . . . 35 G HN . 17255 1 391 . 1 1 35 35 GLY HA2 H 1 3.847 0.019 . 1 . . . . 35 G HA1 . 17255 1 392 . 1 1 35 35 GLY HA3 H 1 5.379 0.007 . 2 . . . . 35 G HA2 . 17255 1 393 . 1 1 35 35 GLY CA C 13 43.984 0.146 . 1 . . . . 35 G CA . 17255 1 394 . 1 1 35 35 GLY N N 15 107.605 0.123 . 1 . . . . 35 G N . 17255 1 395 . 1 1 36 36 GLY H H 1 6.608 0.018 . 1 . . . . 36 G HN . 17255 1 396 . 1 1 36 36 GLY HA2 H 1 3.947 0.011 . 1 . . . . 36 G HA1 . 17255 1 397 . 1 1 36 36 GLY HA3 H 1 4.696 0.010 . 2 . . . . 36 G HA2 . 17255 1 398 . 1 1 36 36 GLY CA C 13 43.893 0.135 . 1 . . . . 36 G CA . 17255 1 399 . 1 1 36 36 GLY N N 15 105.396 0.108 . 1 . . . . 36 G N . 17255 1 400 . 1 1 37 37 ILE H H 1 8.581 0.006 . 1 . . . . 37 I HN . 17255 1 401 . 1 1 37 37 ILE HA H 1 4.151 0.006 . 1 . . . . 37 I HA . 17255 1 402 . 1 1 37 37 ILE HB H 1 2.043 0.004 . 1 . . . . 37 I HB . 17255 1 403 . 1 1 37 37 ILE HG12 H 1 1.232 0.017 . 2 . . . . 37 I HG12 . 17255 1 404 . 1 1 37 37 ILE HG13 H 1 1.272 0.012 . 2 . . . . 37 I HG13 . 17255 1 405 . 1 1 37 37 ILE HG21 H 1 0.950 0.008 . 1 . . . . 37 I QG2 . 17255 1 406 . 1 1 37 37 ILE HG22 H 1 0.950 0.008 . 1 . . . . 37 I QG2 . 17255 1 407 . 1 1 37 37 ILE HG23 H 1 0.950 0.008 . 1 . . . . 37 I QG2 . 17255 1 408 . 1 1 37 37 ILE HD11 H 1 0.748 0.014 . 1 . . . . 37 I QD1 . 17255 1 409 . 1 1 37 37 ILE HD12 H 1 0.748 0.014 . 1 . . . . 37 I QD1 . 17255 1 410 . 1 1 37 37 ILE HD13 H 1 0.748 0.014 . 1 . . . . 37 I QD1 . 17255 1 411 . 1 1 37 37 ILE CA C 13 64.826 0.173 . 1 . . . . 37 I CA . 17255 1 412 . 1 1 37 37 ILE CB C 13 37.411 0.190 . 1 . . . . 37 I CB . 17255 1 413 . 1 1 37 37 ILE CG1 C 13 26.094 0.093 . 1 . . . . 37 I CG1 . 17255 1 414 . 1 1 37 37 ILE CG2 C 13 17.894 0.165 . 1 . . . . 37 I CG2 . 17255 1 415 . 1 1 37 37 ILE CD1 C 13 13.718 0.087 . 1 . . . . 37 I CD1 . 17255 1 416 . 1 1 37 37 ILE N N 15 115.311 0.094 . 1 . . . . 37 I N . 17255 1 417 . 1 1 38 38 ASP H H 1 9.911 0.005 . 1 . . . . 38 D HN . 17255 1 418 . 1 1 38 38 ASP HA H 1 4.615 0.018 . 1 . . . . 38 D HA . 17255 1 419 . 1 1 38 38 ASP HB2 H 1 2.902 0.008 . 2 . . . . 38 D HB2 . 17255 1 420 . 1 1 38 38 ASP HB3 H 1 2.571 0.008 . 2 . . . . 38 D HB3 . 17255 1 421 . 1 1 38 38 ASP CA C 13 52.607 0.051 . 1 . . . . 38 D CA . 17255 1 422 . 1 1 38 38 ASP CB C 13 40.145 0.412 . 1 . . . . 38 D CB . 17255 1 423 . 1 1 38 38 ASP N N 15 118.124 0.050 . 1 . . . . 38 D N . 17255 1 424 . 1 1 39 39 GLN H H 1 7.504 0.007 . 1 . . . . 39 Q HN . 17255 1 425 . 1 1 39 39 GLN HA H 1 4.414 0.004 . 1 . . . . 39 Q HA . 17255 1 426 . 1 1 39 39 GLN HB2 H 1 1.938 0.005 . 2 . . . . 39 Q QB . 17255 1 427 . 1 1 39 39 GLN HB3 H 1 1.938 0.005 . 2 . . . . 39 Q QB . 17255 1 428 . 1 1 39 39 GLN HG2 H 1 2.333 0.004 . 2 . . . . 39 Q HG2 . 17255 1 429 . 1 1 39 39 GLN HG3 H 1 2.063 0.011 . 2 . . . . 39 Q HG3 . 17255 1 430 . 1 1 39 39 GLN HE21 H 1 6.979 0.012 . 2 . . . . 39 Q HE21 . 17255 1 431 . 1 1 39 39 GLN HE22 H 1 6.939 0.014 . 2 . . . . 39 Q HE22 . 17255 1 432 . 1 1 39 39 GLN CA C 13 53.483 0.081 . 1 . . . . 39 Q CA . 17255 1 433 . 1 1 39 39 GLN CB C 13 30.343 0.090 . 1 . . . . 39 Q CB . 17255 1 434 . 1 1 39 39 GLN CG C 13 34.236 0.100 . 1 . . . . 39 Q CG . 17255 1 435 . 1 1 39 39 GLN N N 15 119.958 0.068 . 1 . . . . 39 Q N . 17255 1 436 . 1 1 39 39 GLN NE2 N 15 115.609 0.030 . 1 . . . . 39 Q NE2 . 17255 1 437 . 1 1 40 40 ASP H H 1 8.562 0.005 . 1 . . . . 40 D HN . 17255 1 438 . 1 1 40 40 ASP HA H 1 4.932 0.005 . 1 . . . . 40 D HA . 17255 1 439 . 1 1 40 40 ASP HB2 H 1 2.618 0.017 . 2 . . . . 40 D HB2 . 17255 1 440 . 1 1 40 40 ASP HB3 H 1 2.952 0.003 . 2 . . . . 40 D HB3 . 17255 1 441 . 1 1 40 40 ASP CA C 13 51.198 0.039 . 1 . . . . 40 D CA . 17255 1 442 . 1 1 40 40 ASP CB C 13 41.257 0.049 . 1 . . . . 40 D CB . 17255 1 443 . 1 1 40 40 ASP N N 15 121.473 0.122 . 1 . . . . 40 D N . 17255 1 444 . 1 1 41 41 PRO HA H 1 4.535 0.006 . 1 . . . . 41 P HA . 17255 1 445 . 1 1 41 41 PRO HB2 H 1 2.163 0.001 . 2 . . . . 41 P HB2 . 17255 1 446 . 1 1 41 41 PRO HB3 H 1 1.837 0.000 . 2 . . . . 41 P HB3 . 17255 1 447 . 1 1 41 41 PRO HG2 H 1 2.030 0.000 . 2 . . . . 41 P HG2 . 17255 1 448 . 1 1 41 41 PRO HG3 H 1 1.875 0.000 . 2 . . . . 41 P HG3 . 17255 1 449 . 1 1 41 41 PRO HD2 H 1 4.121 0.012 . 2 . . . . 41 P HD2 . 17255 1 450 . 1 1 41 41 PRO HD3 H 1 4.059 0.000 . 2 . . . . 41 P HD3 . 17255 1 451 . 1 1 41 41 PRO CA C 13 64.219 0.075 . 1 . . . . 41 P CA . 17255 1 452 . 1 1 41 41 PRO CB C 13 31.640 0.224 . 1 . . . . 41 P CB . 17255 1 453 . 1 1 41 41 PRO CG C 13 26.831 0.000 . 1 . . . . 41 P CG . 17255 1 454 . 1 1 41 41 PRO CD C 13 50.882 0.045 . 1 . . . . 41 P CD . 17255 1 455 . 1 1 42 42 SER H H 1 8.294 0.010 . 1 . . . . 42 S HN . 17255 1 456 . 1 1 42 42 SER HA H 1 4.133 0.004 . 1 . . . . 42 S HA . 17255 1 457 . 1 1 42 42 SER HB2 H 1 3.900 0.014 . 2 . . . . 42 S QB . 17255 1 458 . 1 1 42 42 SER HB3 H 1 3.900 0.014 . 2 . . . . 42 S QB . 17255 1 459 . 1 1 42 42 SER CA C 13 61.232 0.037 . 1 . . . . 42 S CA . 17255 1 460 . 1 1 42 42 SER CB C 13 63.076 0.099 . 1 . . . . 42 S CB . 17255 1 461 . 1 1 42 42 SER N N 15 115.571 0.064 . 1 . . . . 42 S N . 17255 1 462 . 1 1 43 43 GLN H H 1 7.289 0.017 . 1 . . . . 43 Q HN . 17255 1 463 . 1 1 43 43 GLN HA H 1 4.202 0.009 . 1 . . . . 43 Q HA . 17255 1 464 . 1 1 43 43 GLN HB2 H 1 2.306 0.008 . 2 . . . . 43 Q HB2 . 17255 1 465 . 1 1 43 43 GLN HB3 H 1 1.709 0.005 . 2 . . . . 43 Q HB3 . 17255 1 466 . 1 1 43 43 GLN HG2 H 1 2.185 0.007 . 2 . . . . 43 Q HG2 . 17255 1 467 . 1 1 43 43 GLN HG3 H 1 2.110 0.012 . 2 . . . . 43 Q HG3 . 17255 1 468 . 1 1 43 43 GLN HE21 H 1 7.572 0.008 . 2 . . . . 43 Q HE21 . 17255 1 469 . 1 1 43 43 GLN HE22 H 1 6.853 0.008 . 2 . . . . 43 Q HE22 . 17255 1 470 . 1 1 43 43 GLN CA C 13 54.826 0.038 . 1 . . . . 43 Q CA . 17255 1 471 . 1 1 43 43 GLN CB C 13 29.029 0.167 . 1 . . . . 43 Q CB . 17255 1 472 . 1 1 43 43 GLN CG C 13 33.862 0.154 . 1 . . . . 43 Q CG . 17255 1 473 . 1 1 43 43 GLN N N 15 118.268 0.073 . 1 . . . . 43 Q N . 17255 1 474 . 1 1 43 43 GLN NE2 N 15 113.059 0.066 . 1 . . . . 43 Q NE2 . 17255 1 475 . 1 1 44 44 ASN H H 1 7.070 0.067 . 1 . . . . 44 N HN . 17255 1 476 . 1 1 44 44 ASN HA H 1 4.677 0.010 . 1 . . . . 44 N HA . 17255 1 477 . 1 1 44 44 ASN HB2 H 1 2.674 0.012 . 2 . . . . 44 N HB2 . 17255 1 478 . 1 1 44 44 ASN HB3 H 1 3.098 0.011 . 2 . . . . 44 N HB3 . 17255 1 479 . 1 1 44 44 ASN CA C 13 50.103 0.009 . 1 . . . . 44 N CA . 17255 1 480 . 1 1 44 44 ASN CB C 13 38.917 0.127 . 1 . . . . 44 N CB . 17255 1 481 . 1 1 44 44 ASN N N 15 119.825 0.044 . 1 . . . . 44 N N . 17255 1 482 . 1 1 45 45 PRO HA H 1 4.114 0.007 . 1 . . . . 45 P HA . 17255 1 483 . 1 1 45 45 PRO HB2 H 1 1.846 0.010 . 2 . . . . 45 P HB2 . 17255 1 484 . 1 1 45 45 PRO HB3 H 1 0.988 0.007 . 2 . . . . 45 P HB3 . 17255 1 485 . 1 1 45 45 PRO HG2 H 1 1.542 0.009 . 2 . . . . 45 P HG2 . 17255 1 486 . 1 1 45 45 PRO HG3 H 1 0.804 0.005 . 2 . . . . 45 P HG3 . 17255 1 487 . 1 1 45 45 PRO HD2 H 1 3.933 0.019 . 2 . . . . 45 P HD2 . 17255 1 488 . 1 1 45 45 PRO HD3 H 1 3.416 0.002 . 2 . . . . 45 P HD3 . 17255 1 489 . 1 1 45 45 PRO CA C 13 63.395 0.068 . 1 . . . . 45 P CA . 17255 1 490 . 1 1 45 45 PRO CB C 13 31.896 0.201 . 1 . . . . 45 P CB . 17255 1 491 . 1 1 45 45 PRO CG C 13 25.705 0.073 . 1 . . . . 45 P CG . 17255 1 492 . 1 1 45 45 PRO CD C 13 50.501 0.032 . 1 . . . . 45 P CD . 17255 1 493 . 1 1 46 46 PHE H H 1 7.635 0.009 . 1 . . . . 46 F HN . 17255 1 494 . 1 1 46 46 PHE HA H 1 4.364 0.009 . 1 . . . . 46 F HA . 17255 1 495 . 1 1 46 46 PHE HB2 H 1 2.311 0.009 . 2 . . . . 46 F HB2 . 17255 1 496 . 1 1 46 46 PHE HB3 H 1 3.205 0.006 . 2 . . . . 46 F HB3 . 17255 1 497 . 1 1 46 46 PHE CA C 13 58.119 0.079 . 1 . . . . 46 F CA . 17255 1 498 . 1 1 46 46 PHE CB C 13 40.103 0.090 . 1 . . . . 46 F CB . 17255 1 499 . 1 1 46 46 PHE N N 15 115.588 0.066 . 1 . . . . 46 F N . 17255 1 500 . 1 1 47 47 SER H H 1 6.711 0.011 . 1 . . . . 47 S HN . 17255 1 501 . 1 1 47 47 SER HA H 1 4.205 0.007 . 1 . . . . 47 S HA . 17255 1 502 . 1 1 47 47 SER HB2 H 1 3.854 0.005 . 2 . . . . 47 S HB2 . 17255 1 503 . 1 1 47 47 SER HB3 H 1 3.430 0.008 . 2 . . . . 47 S HB3 . 17255 1 504 . 1 1 47 47 SER CA C 13 56.518 0.131 . 1 . . . . 47 S CA . 17255 1 505 . 1 1 47 47 SER CB C 13 63.853 0.206 . 1 . . . . 47 S CB . 17255 1 506 . 1 1 47 47 SER N N 15 111.810 0.065 . 1 . . . . 47 S N . 17255 1 507 . 1 1 48 48 GLU H H 1 8.761 0.013 . 1 . . . . 48 E HN . 17255 1 508 . 1 1 48 48 GLU HA H 1 4.117 0.008 . 1 . . . . 48 E HA . 17255 1 509 . 1 1 48 48 GLU HB2 H 1 1.977 0.000 . 2 . . . . 48 E HB2 . 17255 1 510 . 1 1 48 48 GLU HB3 H 1 1.938 0.003 . 2 . . . . 48 E HB3 . 17255 1 511 . 1 1 48 48 GLU HG2 H 1 2.262 0.008 . 2 . . . . 48 E HG2 . 17255 1 512 . 1 1 48 48 GLU HG3 H 1 2.209 0.020 . 2 . . . . 48 E HG3 . 17255 1 513 . 1 1 48 48 GLU CA C 13 57.831 0.136 . 1 . . . . 48 E CA . 17255 1 514 . 1 1 48 48 GLU CB C 13 30.398 0.056 . 1 . . . . 48 E CB . 17255 1 515 . 1 1 48 48 GLU CG C 13 36.449 0.092 . 1 . . . . 48 E CG . 17255 1 516 . 1 1 48 48 GLU N N 15 124.099 0.085 . 1 . . . . 48 E N . 17255 1 517 . 1 1 49 49 ASP H H 1 7.967 0.007 . 1 . . . . 49 D HN . 17255 1 518 . 1 1 49 49 ASP HA H 1 4.571 0.012 . 1 . . . . 49 D HA . 17255 1 519 . 1 1 49 49 ASP HB2 H 1 2.872 0.010 . 2 . . . . 49 D HB2 . 17255 1 520 . 1 1 49 49 ASP HB3 H 1 2.600 0.005 . 2 . . . . 49 D HB3 . 17255 1 521 . 1 1 49 49 ASP CA C 13 52.816 0.012 . 1 . . . . 49 D CA . 17255 1 522 . 1 1 49 49 ASP CB C 13 41.614 0.000 . 1 . . . . 49 D CB . 17255 1 523 . 1 1 49 49 ASP N N 15 118.167 0.064 . 1 . . . . 49 D N . 17255 1 524 . 1 1 50 50 LYS H H 1 8.452 0.018 . 1 . . . . 50 K HN . 17255 1 525 . 1 1 50 50 LYS HA H 1 4.195 0.008 . 1 . . . . 50 K HA . 17255 1 526 . 1 1 50 50 LYS HB2 H 1 1.857 0.014 . 2 . . . . 50 K QB . 17255 1 527 . 1 1 50 50 LYS HB3 H 1 1.857 0.014 . 2 . . . . 50 K QB . 17255 1 528 . 1 1 50 50 LYS HG2 H 1 1.377 0.000 . 2 . . . . 50 K QG . 17255 1 529 . 1 1 50 50 LYS HG3 H 1 1.377 0.000 . 2 . . . . 50 K QG . 17255 1 530 . 1 1 50 50 LYS HD2 H 1 1.415 0.009 . 2 . . . . 50 K QD . 17255 1 531 . 1 1 50 50 LYS HD3 H 1 1.415 0.009 . 2 . . . . 50 K QD . 17255 1 532 . 1 1 50 50 LYS CA C 13 56.273 0.147 . 1 . . . . 50 K CA . 17255 1 533 . 1 1 50 50 LYS CB C 13 29.975 0.104 . 1 . . . . 50 K CB . 17255 1 534 . 1 1 50 50 LYS CG C 13 24.015 0.057 . 1 . . . . 50 K CG . 17255 1 535 . 1 1 50 50 LYS CD C 13 27.990 0.152 . 1 . . . . 50 K CD . 17255 1 536 . 1 1 50 50 LYS CE C 13 42.441 0.000 . 1 . . . . 50 K CE . 17255 1 537 . 1 1 50 50 LYS N N 15 120.392 0.063 . 1 . . . . 50 K N . 17255 1 538 . 1 1 51 51 THR H H 1 8.326 0.008 . 1 . . . . 51 T HN . 17255 1 539 . 1 1 51 51 THR HA H 1 4.308 0.006 . 1 . . . . 51 T HA . 17255 1 540 . 1 1 51 51 THR HB H 1 4.314 0.011 . 1 . . . . 51 T HB . 17255 1 541 . 1 1 51 51 THR HG21 H 1 1.093 0.009 . 1 . . . . 51 T QG2 . 17255 1 542 . 1 1 51 51 THR HG22 H 1 1.093 0.009 . 1 . . . . 51 T QG2 . 17255 1 543 . 1 1 51 51 THR HG23 H 1 1.093 0.009 . 1 . . . . 51 T QG2 . 17255 1 544 . 1 1 51 51 THR CA C 13 61.561 0.088 . 1 . . . . 51 T CA . 17255 1 545 . 1 1 51 51 THR CB C 13 69.861 0.292 . 1 . . . . 51 T CB . 17255 1 546 . 1 1 51 51 THR CG2 C 13 21.495 0.079 . 1 . . . . 51 T CG2 . 17255 1 547 . 1 1 51 51 THR N N 15 108.193 0.191 . 1 . . . . 51 T N . 17255 1 548 . 1 1 52 52 ASP H H 1 7.642 0.008 . 1 . . . . 52 D HN . 17255 1 549 . 1 1 52 52 ASP HA H 1 4.459 0.011 . 1 . . . . 52 D HA . 17255 1 550 . 1 1 52 52 ASP HB2 H 1 3.125 0.009 . 2 . . . . 52 D HB2 . 17255 1 551 . 1 1 52 52 ASP HB3 H 1 2.788 0.015 . 2 . . . . 52 D HB3 . 17255 1 552 . 1 1 52 52 ASP CA C 13 54.751 0.046 . 1 . . . . 52 D CA . 17255 1 553 . 1 1 52 52 ASP CB C 13 41.837 0.091 . 1 . . . . 52 D CB . 17255 1 554 . 1 1 52 52 ASP N N 15 122.292 0.070 . 1 . . . . 52 D N . 17255 1 555 . 1 1 53 53 LYS H H 1 8.844 0.015 . 1 . . . . 53 K HN . 17255 1 556 . 1 1 53 53 LYS HA H 1 4.650 0.007 . 1 . . . . 53 K HA . 17255 1 557 . 1 1 53 53 LYS HB2 H 1 2.183 0.002 . 2 . . . . 53 K HB2 . 17255 1 558 . 1 1 53 53 LYS HB3 H 1 1.746 0.000 . 2 . . . . 53 K HB3 . 17255 1 559 . 1 1 53 53 LYS HG2 H 1 1.330 0.007 . 2 . . . . 53 K QG . 17255 1 560 . 1 1 53 53 LYS HG3 H 1 1.330 0.007 . 2 . . . . 53 K QG . 17255 1 561 . 1 1 53 53 LYS HD2 H 1 1.615 0.009 . 2 . . . . 53 K QD . 17255 1 562 . 1 1 53 53 LYS HD3 H 1 1.615 0.009 . 2 . . . . 53 K QD . 17255 1 563 . 1 1 53 53 LYS HE2 H 1 3.103 0.023 . 2 . . . . 53 K QE . 17255 1 564 . 1 1 53 53 LYS HE3 H 1 3.103 0.023 . 2 . . . . 53 K QE . 17255 1 565 . 1 1 53 53 LYS CA C 13 56.489 0.047 . 1 . . . . 53 K CA . 17255 1 566 . 1 1 53 53 LYS CB C 13 32.362 0.100 . 1 . . . . 53 K CB . 17255 1 567 . 1 1 53 53 LYS CG C 13 25.237 0.380 . 1 . . . . 53 K CG . 17255 1 568 . 1 1 53 53 LYS CD C 13 29.771 0.112 . 1 . . . . 53 K CD . 17255 1 569 . 1 1 53 53 LYS CE C 13 42.225 0.021 . 1 . . . . 53 K CE . 17255 1 570 . 1 1 53 53 LYS N N 15 129.965 0.063 . 1 . . . . 53 K N . 17255 1 571 . 1 1 54 54 GLY H H 1 8.819 0.009 . 1 . . . . 54 G HN . 17255 1 572 . 1 1 54 54 GLY HA2 H 1 4.168 0.010 . 1 . . . . 54 G HA1 . 17255 1 573 . 1 1 54 54 GLY HA3 H 1 3.555 0.008 . 2 . . . . 54 G HA2 . 17255 1 574 . 1 1 54 54 GLY CA C 13 45.275 0.183 . 1 . . . . 54 G CA . 17255 1 575 . 1 1 54 54 GLY N N 15 106.511 0.090 . 1 . . . . 54 G N . 17255 1 576 . 1 1 55 55 ILE H H 1 9.223 0.012 . 1 . . . . 55 I HN . 17255 1 577 . 1 1 55 55 ILE HA H 1 4.748 0.009 . 1 . . . . 55 I HA . 17255 1 578 . 1 1 55 55 ILE HB H 1 2.080 0.008 . 1 . . . . 55 I HB . 17255 1 579 . 1 1 55 55 ILE HG12 H 1 1.043 0.000 . 1 . . . . 55 I QG1 . 17255 1 580 . 1 1 55 55 ILE HG13 H 1 1.043 0.000 . 1 . . . . 55 I QG1 . 17255 1 581 . 1 1 55 55 ILE HG21 H 1 0.693 0.007 . 1 . . . . 55 I QG2 . 17255 1 582 . 1 1 55 55 ILE HG22 H 1 0.693 0.007 . 1 . . . . 55 I QG2 . 17255 1 583 . 1 1 55 55 ILE HG23 H 1 0.693 0.007 . 1 . . . . 55 I QG2 . 17255 1 584 . 1 1 55 55 ILE HD11 H 1 0.399 0.006 . 1 . . . . 55 I QD1 . 17255 1 585 . 1 1 55 55 ILE HD12 H 1 0.399 0.006 . 1 . . . . 55 I QD1 . 17255 1 586 . 1 1 55 55 ILE HD13 H 1 0.399 0.006 . 1 . . . . 55 I QD1 . 17255 1 587 . 1 1 55 55 ILE CA C 13 57.559 0.290 . 1 . . . . 55 I CA . 17255 1 588 . 1 1 55 55 ILE CB C 13 36.017 0.236 . 1 . . . . 55 I CB . 17255 1 589 . 1 1 55 55 ILE CG2 C 13 18.011 0.208 . 1 . . . . 55 I CG2 . 17255 1 590 . 1 1 55 55 ILE CD1 C 13 8.017 0.078 . 1 . . . . 55 I CD1 . 17255 1 591 . 1 1 55 55 ILE N N 15 120.313 0.060 . 1 . . . . 55 I N . 17255 1 592 . 1 1 56 56 TYR H H 1 8.952 0.017 . 1 . . . . 56 Y HN . 17255 1 593 . 1 1 56 56 TYR HA H 1 5.306 0.011 . 1 . . . . 56 Y HA . 17255 1 594 . 1 1 56 56 TYR HB2 H 1 2.530 0.011 . 2 . . . . 56 Y HB2 . 17255 1 595 . 1 1 56 56 TYR HB3 H 1 2.440 0.012 . 2 . . . . 56 Y HB3 . 17255 1 596 . 1 1 56 56 TYR HD1 H 1 6.888 0.011 . 3 . . . . 56 Y QD . 17255 1 597 . 1 1 56 56 TYR HD2 H 1 6.888 0.011 . 3 . . . . 56 Y QD . 17255 1 598 . 1 1 56 56 TYR CA C 13 55.628 0.095 . 1 . . . . 56 Y CA . 17255 1 599 . 1 1 56 56 TYR CB C 13 42.675 0.077 . 1 . . . . 56 Y CB . 17255 1 600 . 1 1 56 56 TYR N N 15 125.445 0.076 . 1 . . . . 56 Y N . 17255 1 601 . 1 1 57 57 VAL H H 1 8.656 0.009 . 1 . . . . 57 V HN . 17255 1 602 . 1 1 57 57 VAL HA H 1 4.502 0.012 . 1 . . . . 57 V HA . 17255 1 603 . 1 1 57 57 VAL HB H 1 2.070 0.010 . 1 . . . . 57 V HB . 17255 1 604 . 1 1 57 57 VAL HG11 H 1 0.626 0.005 . 1 . . . . 57 V QG1 . 17255 1 605 . 1 1 57 57 VAL HG12 H 1 0.626 0.005 . 1 . . . . 57 V QG1 . 17255 1 606 . 1 1 57 57 VAL HG13 H 1 0.626 0.005 . 1 . . . . 57 V QG1 . 17255 1 607 . 1 1 57 57 VAL HG21 H 1 0.632 0.008 . 1 . . . . 57 V QG2 . 17255 1 608 . 1 1 57 57 VAL HG22 H 1 0.632 0.008 . 1 . . . . 57 V QG2 . 17255 1 609 . 1 1 57 57 VAL HG23 H 1 0.632 0.008 . 1 . . . . 57 V QG2 . 17255 1 610 . 1 1 57 57 VAL CA C 13 62.146 0.111 . 1 . . . . 57 V CA . 17255 1 611 . 1 1 57 57 VAL CB C 13 31.995 0.111 . 1 . . . . 57 V CB . 17255 1 612 . 1 1 57 57 VAL CG1 C 13 21.590 0.052 . 2 . . . . 57 V CG1 . 17255 1 613 . 1 1 57 57 VAL CG2 C 13 22.338 0.120 . 2 . . . . 57 V CG2 . 17255 1 614 . 1 1 57 57 VAL N N 15 121.052 0.092 . 1 . . . . 57 V N . 17255 1 615 . 1 1 58 58 THR H H 1 8.719 0.006 . 1 . . . . 58 T HN . 17255 1 616 . 1 1 58 58 THR HA H 1 4.307 0.007 . 1 . . . . 58 T HA . 17255 1 617 . 1 1 58 58 THR HB H 1 4.247 0.004 . 1 . . . . 58 T HB . 17255 1 618 . 1 1 58 58 THR HG21 H 1 1.104 0.004 . 1 . . . . 58 T QG2 . 17255 1 619 . 1 1 58 58 THR HG22 H 1 1.104 0.004 . 1 . . . . 58 T QG2 . 17255 1 620 . 1 1 58 58 THR HG23 H 1 1.104 0.004 . 1 . . . . 58 T QG2 . 17255 1 621 . 1 1 58 58 THR CA C 13 62.326 0.247 . 1 . . . . 58 T CA . 17255 1 622 . 1 1 58 58 THR CB C 13 68.681 0.218 . 1 . . . . 58 T CB . 17255 1 623 . 1 1 58 58 THR CG2 C 13 22.480 0.183 . 1 . . . . 58 T CG2 . 17255 1 624 . 1 1 58 58 THR N N 15 119.551 0.050 . 1 . . . . 58 T N . 17255 1 625 . 1 1 59 59 ARG H H 1 7.230 0.007 . 1 . . . . 59 R HN . 17255 1 626 . 1 1 59 59 ARG HA H 1 4.302 0.006 . 1 . . . . 59 R HA . 17255 1 627 . 1 1 59 59 ARG HB2 H 1 1.660 0.007 . 2 . . . . 59 R HB2 . 17255 1 628 . 1 1 59 59 ARG HB3 H 1 1.640 0.004 . 2 . . . . 59 R HB3 . 17255 1 629 . 1 1 59 59 ARG HG2 H 1 1.546 0.006 . 2 . . . . 59 R HG2 . 17255 1 630 . 1 1 59 59 ARG HG3 H 1 1.593 0.008 . 2 . . . . 59 R HG3 . 17255 1 631 . 1 1 59 59 ARG HD2 H 1 3.114 0.011 . 2 . . . . 59 R HD2 . 17255 1 632 . 1 1 59 59 ARG HD3 H 1 2.951 0.007 . 2 . . . . 59 R HD3 . 17255 1 633 . 1 1 59 59 ARG HE H 1 7.493 0.006 . 1 . . . . 59 R HE . 17255 1 634 . 1 1 59 59 ARG CA C 13 55.987 0.064 . 1 . . . . 59 R CA . 17255 1 635 . 1 1 59 59 ARG CB C 13 34.173 0.151 . 1 . . . . 59 R CB . 17255 1 636 . 1 1 59 59 ARG CG C 13 27.264 0.201 . 1 . . . . 59 R CG . 17255 1 637 . 1 1 59 59 ARG CD C 13 43.391 0.044 . 1 . . . . 59 R CD . 17255 1 638 . 1 1 59 59 ARG N N 15 119.022 0.074 . 1 . . . . 59 R N . 17255 1 639 . 1 1 59 59 ARG NE N 15 85.721 0.043 . 1 . . . . 59 R NE . 17255 1 640 . 1 1 60 60 VAL H H 1 8.428 0.010 . 1 . . . . 60 V HN . 17255 1 641 . 1 1 60 60 VAL HA H 1 4.198 0.006 . 1 . . . . 60 V HA . 17255 1 642 . 1 1 60 60 VAL HB H 1 1.805 0.005 . 1 . . . . 60 V HB . 17255 1 643 . 1 1 60 60 VAL HG11 H 1 0.746 0.010 . 1 . . . . 60 V QG1 . 17255 1 644 . 1 1 60 60 VAL HG12 H 1 0.746 0.010 . 1 . . . . 60 V QG1 . 17255 1 645 . 1 1 60 60 VAL HG13 H 1 0.746 0.010 . 1 . . . . 60 V QG1 . 17255 1 646 . 1 1 60 60 VAL HG21 H 1 0.493 0.007 . 1 . . . . 60 V QG2 . 17255 1 647 . 1 1 60 60 VAL HG22 H 1 0.493 0.007 . 1 . . . . 60 V QG2 . 17255 1 648 . 1 1 60 60 VAL HG23 H 1 0.493 0.007 . 1 . . . . 60 V QG2 . 17255 1 649 . 1 1 60 60 VAL CA C 13 62.372 0.108 . 1 . . . . 60 V CA . 17255 1 650 . 1 1 60 60 VAL CB C 13 34.958 0.271 . 1 . . . . 60 V CB . 17255 1 651 . 1 1 60 60 VAL CG1 C 13 21.470 0.208 . 2 . . . . 60 V CG1 . 17255 1 652 . 1 1 60 60 VAL CG2 C 13 21.665 0.161 . 2 . . . . 60 V CG2 . 17255 1 653 . 1 1 60 60 VAL N N 15 121.675 0.109 . 1 . . . . 60 V N . 17255 1 654 . 1 1 61 61 SER H H 1 8.124 0.009 . 1 . . . . 61 S HN . 17255 1 655 . 1 1 61 61 SER HA H 1 4.209 0.004 . 1 . . . . 61 S HA . 17255 1 656 . 1 1 61 61 SER HB2 H 1 3.797 0.003 . 2 . . . . 61 S HB2 . 17255 1 657 . 1 1 61 61 SER HB3 H 1 3.617 0.014 . 2 . . . . 61 S HB3 . 17255 1 658 . 1 1 61 61 SER CA C 13 59.379 0.073 . 1 . . . . 61 S CA . 17255 1 659 . 1 1 61 61 SER CB C 13 62.898 0.128 . 1 . . . . 61 S CB . 17255 1 660 . 1 1 61 61 SER N N 15 122.728 0.072 . 1 . . . . 61 S N . 17255 1 661 . 1 1 62 62 GLU H H 1 9.285 0.006 . 1 . . . . 62 E HN . 17255 1 662 . 1 1 62 62 GLU HA H 1 4.137 0.011 . 1 . . . . 62 E HA . 17255 1 663 . 1 1 62 62 GLU HB2 H 1 1.955 0.011 . 2 . . . . 62 E QB . 17255 1 664 . 1 1 62 62 GLU HB3 H 1 1.955 0.011 . 2 . . . . 62 E QB . 17255 1 665 . 1 1 62 62 GLU HG2 H 1 2.358 0.005 . 2 . . . . 62 E HG2 . 17255 1 666 . 1 1 62 62 GLU HG3 H 1 2.219 0.018 . 2 . . . . 62 E HG3 . 17255 1 667 . 1 1 62 62 GLU CA C 13 58.156 0.110 . 1 . . . . 62 E CA . 17255 1 668 . 1 1 62 62 GLU CB C 13 29.133 0.090 . 1 . . . . 62 E CB . 17255 1 669 . 1 1 62 62 GLU CG C 13 36.177 0.012 . 1 . . . . 62 E CG . 17255 1 670 . 1 1 62 62 GLU N N 15 130.890 0.070 . 1 . . . . 62 E N . 17255 1 671 . 1 1 63 63 GLY H H 1 9.626 0.005 . 1 . . . . 63 G HN . 17255 1 672 . 1 1 63 63 GLY HA2 H 1 3.651 0.009 . 1 . . . . 63 G HA1 . 17255 1 673 . 1 1 63 63 GLY HA3 H 1 4.030 0.007 . 2 . . . . 63 G HA2 . 17255 1 674 . 1 1 63 63 GLY CA C 13 45.414 0.154 . 1 . . . . 63 G CA . 17255 1 675 . 1 1 63 63 GLY N N 15 116.325 0.055 . 1 . . . . 63 G N . 17255 1 676 . 1 1 64 64 GLY H H 1 7.537 0.005 . 1 . . . . 64 G HN . 17255 1 677 . 1 1 64 64 GLY HA2 H 1 3.880 0.005 . 1 . . . . 64 G HA1 . 17255 1 678 . 1 1 64 64 GLY HA3 H 1 4.362 0.008 . 2 . . . . 64 G HA2 . 17255 1 679 . 1 1 64 64 GLY CA C 13 45.295 0.074 . 1 . . . . 64 G CA . 17255 1 680 . 1 1 64 64 GLY N N 15 106.344 0.052 . 1 . . . . 64 G N . 17255 1 681 . 1 1 65 65 PRO HA H 1 4.152 0.007 . 1 . . . . 65 P HA . 17255 1 682 . 1 1 65 65 PRO HB2 H 1 2.623 0.011 . 2 . . . . 65 P HB2 . 17255 1 683 . 1 1 65 65 PRO HB3 H 1 2.043 0.014 . 2 . . . . 65 P HB3 . 17255 1 684 . 1 1 65 65 PRO HG2 H 1 2.229 0.011 . 2 . . . . 65 P QG . 17255 1 685 . 1 1 65 65 PRO HG3 H 1 2.229 0.011 . 2 . . . . 65 P QG . 17255 1 686 . 1 1 65 65 PRO HD2 H 1 3.681 0.016 . 2 . . . . 65 P HD2 . 17255 1 687 . 1 1 65 65 PRO HD3 H 1 3.283 0.017 . 2 . . . . 65 P HD3 . 17255 1 688 . 1 1 65 65 PRO CA C 13 65.246 0.166 . 1 . . . . 65 P CA . 17255 1 689 . 1 1 65 65 PRO CB C 13 32.125 0.123 . 1 . . . . 65 P CB . 17255 1 690 . 1 1 65 65 PRO CG C 13 28.746 0.035 . 1 . . . . 65 P CG . 17255 1 691 . 1 1 65 65 PRO CD C 13 48.835 0.214 . 1 . . . . 65 P CD . 17255 1 692 . 1 1 66 66 ALA H H 1 7.668 0.007 . 1 . . . . 66 A HN . 17255 1 693 . 1 1 66 66 ALA HA H 1 3.864 0.005 . 1 . . . . 66 A HA . 17255 1 694 . 1 1 66 66 ALA HB1 H 1 1.405 0.008 . 1 . . . . 66 A QB . 17255 1 695 . 1 1 66 66 ALA HB2 H 1 1.405 0.008 . 1 . . . . 66 A QB . 17255 1 696 . 1 1 66 66 ALA HB3 H 1 1.405 0.008 . 1 . . . . 66 A QB . 17255 1 697 . 1 1 66 66 ALA CA C 13 55.058 0.065 . 1 . . . . 66 A CA . 17255 1 698 . 1 1 66 66 ALA CB C 13 19.158 0.146 . 1 . . . . 66 A CB . 17255 1 699 . 1 1 66 66 ALA N N 15 120.001 0.068 . 1 . . . . 66 A N . 17255 1 700 . 1 1 67 67 GLU H H 1 8.483 0.011 . 1 . . . . 67 E HN . 17255 1 701 . 1 1 67 67 GLU HA H 1 3.797 0.010 . 1 . . . . 67 E HA . 17255 1 702 . 1 1 67 67 GLU HB2 H 1 2.130 0.012 . 2 . . . . 67 E QB . 17255 1 703 . 1 1 67 67 GLU HB3 H 1 2.130 0.012 . 2 . . . . 67 E QB . 17255 1 704 . 1 1 67 67 GLU HG2 H 1 2.173 0.012 . 2 . . . . 67 E HG2 . 17255 1 705 . 1 1 67 67 GLU HG3 H 1 2.029 0.014 . 2 . . . . 67 E HG3 . 17255 1 706 . 1 1 67 67 GLU CA C 13 59.972 0.393 . 1 . . . . 67 E CA . 17255 1 707 . 1 1 67 67 GLU CB C 13 29.842 0.114 . 1 . . . . 67 E CB . 17255 1 708 . 1 1 67 67 GLU CG C 13 37.015 0.310 . 1 . . . . 67 E CG . 17255 1 709 . 1 1 67 67 GLU N N 15 121.308 0.106 . 1 . . . . 67 E N . 17255 1 710 . 1 1 68 68 ILE H H 1 8.068 0.009 . 1 . . . . 68 I HN . 17255 1 711 . 1 1 68 68 ILE HA H 1 3.656 0.006 . 1 . . . . 68 I HA . 17255 1 712 . 1 1 68 68 ILE HB H 1 1.814 0.011 . 1 . . . . 68 I HB . 17255 1 713 . 1 1 68 68 ILE HG12 H 1 1.566 0.013 . 2 . . . . 68 I HG12 . 17255 1 714 . 1 1 68 68 ILE HG13 H 1 1.124 0.014 . 2 . . . . 68 I HG13 . 17255 1 715 . 1 1 68 68 ILE HG21 H 1 0.878 0.008 . 1 . . . . 68 I QG2 . 17255 1 716 . 1 1 68 68 ILE HG22 H 1 0.878 0.008 . 1 . . . . 68 I QG2 . 17255 1 717 . 1 1 68 68 ILE HG23 H 1 0.878 0.008 . 1 . . . . 68 I QG2 . 17255 1 718 . 1 1 68 68 ILE HD11 H 1 0.725 0.009 . 1 . . . . 68 I QD1 . 17255 1 719 . 1 1 68 68 ILE HD12 H 1 0.725 0.009 . 1 . . . . 68 I QD1 . 17255 1 720 . 1 1 68 68 ILE HD13 H 1 0.725 0.009 . 1 . . . . 68 I QD1 . 17255 1 721 . 1 1 68 68 ILE CA C 13 64.302 0.158 . 1 . . . . 68 I CA . 17255 1 722 . 1 1 68 68 ILE CB C 13 38.187 0.197 . 1 . . . . 68 I CB . 17255 1 723 . 1 1 68 68 ILE CG1 C 13 29.075 0.023 . 1 . . . . 68 I CG1 . 17255 1 724 . 1 1 68 68 ILE CG2 C 13 17.005 0.229 . 1 . . . . 68 I CG2 . 17255 1 725 . 1 1 68 68 ILE CD1 C 13 13.073 0.289 . 1 . . . . 68 I CD1 . 17255 1 726 . 1 1 68 68 ILE N N 15 120.686 0.095 . 1 . . . . 68 I N . 17255 1 727 . 1 1 69 69 ALA H H 1 7.584 0.009 . 1 . . . . 69 A HN . 17255 1 728 . 1 1 69 69 ALA HA H 1 4.262 0.007 . 1 . . . . 69 A HA . 17255 1 729 . 1 1 69 69 ALA HB1 H 1 1.433 0.006 . 1 . . . . 69 A QB . 17255 1 730 . 1 1 69 69 ALA HB2 H 1 1.433 0.006 . 1 . . . . 69 A QB . 17255 1 731 . 1 1 69 69 ALA HB3 H 1 1.433 0.006 . 1 . . . . 69 A QB . 17255 1 732 . 1 1 69 69 ALA CA C 13 52.936 0.060 . 1 . . . . 69 A CA . 17255 1 733 . 1 1 69 69 ALA CB C 13 21.118 0.157 . 1 . . . . 69 A CB . 17255 1 734 . 1 1 69 69 ALA N N 15 119.667 0.060 . 1 . . . . 69 A N . 17255 1 735 . 1 1 70 70 GLY H H 1 7.533 0.005 . 1 . . . . 70 G HN . 17255 1 736 . 1 1 70 70 GLY HA2 H 1 3.675 0.013 . 1 . . . . 70 G HA1 . 17255 1 737 . 1 1 70 70 GLY HA3 H 1 4.246 0.006 . 2 . . . . 70 G HA2 . 17255 1 738 . 1 1 70 70 GLY CA C 13 44.925 0.240 . 1 . . . . 70 G CA . 17255 1 739 . 1 1 70 70 GLY N N 15 103.682 0.080 . 1 . . . . 70 G N . 17255 1 740 . 1 1 71 71 LEU H H 1 7.806 0.006 . 1 . . . . 71 L HN . 17255 1 741 . 1 1 71 71 LEU HA H 1 3.696 0.007 . 1 . . . . 71 L HA . 17255 1 742 . 1 1 71 71 LEU HB2 H 1 1.230 0.016 . 2 . . . . 71 L HB2 . 17255 1 743 . 1 1 71 71 LEU HB3 H 1 0.723 0.003 . 2 . . . . 71 L HB3 . 17255 1 744 . 1 1 71 71 LEU HG H 1 0.578 0.003 . 1 . . . . 71 L HG . 17255 1 745 . 1 1 71 71 LEU HD11 H 1 -0.426 0.008 . 1 . . . . 71 L QD1 . 17255 1 746 . 1 1 71 71 LEU HD12 H 1 -0.426 0.008 . 1 . . . . 71 L QD1 . 17255 1 747 . 1 1 71 71 LEU HD13 H 1 -0.426 0.008 . 1 . . . . 71 L QD1 . 17255 1 748 . 1 1 71 71 LEU HD21 H 1 0.532 0.011 . 1 . . . . 71 L QD2 . 17255 1 749 . 1 1 71 71 LEU HD22 H 1 0.532 0.011 . 1 . . . . 71 L QD2 . 17255 1 750 . 1 1 71 71 LEU HD23 H 1 0.532 0.011 . 1 . . . . 71 L QD2 . 17255 1 751 . 1 1 71 71 LEU CA C 13 55.139 0.137 . 1 . . . . 71 L CA . 17255 1 752 . 1 1 71 71 LEU CB C 13 44.142 0.180 . 1 . . . . 71 L CB . 17255 1 753 . 1 1 71 71 LEU CG C 13 26.680 0.263 . 1 . . . . 71 L CG . 17255 1 754 . 1 1 71 71 LEU CD1 C 13 26.063 0.039 . 2 . . . . 71 L CD1 . 17255 1 755 . 1 1 71 71 LEU CD2 C 13 23.966 0.198 . 2 . . . . 71 L CD2 . 17255 1 756 . 1 1 71 71 LEU N N 15 123.765 0.058 . 1 . . . . 71 L N . 17255 1 757 . 1 1 72 72 GLN H H 1 8.356 0.014 . 1 . . . . 72 Q HN . 17255 1 758 . 1 1 72 72 GLN HA H 1 4.535 0.012 . 1 . . . . 72 Q HA . 17255 1 759 . 1 1 72 72 GLN HB2 H 1 1.860 0.005 . 2 . . . . 72 Q HB2 . 17255 1 760 . 1 1 72 72 GLN HB3 H 1 1.783 0.012 . 2 . . . . 72 Q HB3 . 17255 1 761 . 1 1 72 72 GLN HG2 H 1 2.157 0.009 . 2 . . . . 72 Q QG . 17255 1 762 . 1 1 72 72 GLN HG3 H 1 2.157 0.009 . 2 . . . . 72 Q QG . 17255 1 763 . 1 1 72 72 GLN HE21 H 1 7.241 0.009 . 2 . . . . 72 Q HE21 . 17255 1 764 . 1 1 72 72 GLN HE22 H 1 6.668 0.015 . 2 . . . . 72 Q HE22 . 17255 1 765 . 1 1 72 72 GLN CA C 13 54.032 0.052 . 1 . . . . 72 Q CA . 17255 1 766 . 1 1 72 72 GLN CB C 13 31.972 0.049 . 1 . . . . 72 Q CB . 17255 1 767 . 1 1 72 72 GLN CG C 13 33.470 0.105 . 1 . . . . 72 Q CG . 17255 1 768 . 1 1 72 72 GLN N N 15 123.599 0.050 . 1 . . . . 72 Q N . 17255 1 769 . 1 1 72 72 GLN NE2 N 15 110.957 0.044 . 1 . . . . 72 Q NE2 . 17255 1 770 . 1 1 73 73 ILE H H 1 8.313 0.008 . 1 . . . . 73 I HN . 17255 1 771 . 1 1 73 73 ILE HA H 1 3.152 0.008 . 1 . . . . 73 I HA . 17255 1 772 . 1 1 73 73 ILE HB H 1 1.496 0.022 . 1 . . . . 73 I HB . 17255 1 773 . 1 1 73 73 ILE HG12 H 1 1.444 0.015 . 1 . . . . 73 I QG1 . 17255 1 774 . 1 1 73 73 ILE HG13 H 1 1.444 0.015 . 1 . . . . 73 I QG1 . 17255 1 775 . 1 1 73 73 ILE HG21 H 1 0.724 0.008 . 1 . . . . 73 I QG2 . 17255 1 776 . 1 1 73 73 ILE HG22 H 1 0.724 0.008 . 1 . . . . 73 I QG2 . 17255 1 777 . 1 1 73 73 ILE HG23 H 1 0.724 0.008 . 1 . . . . 73 I QG2 . 17255 1 778 . 1 1 73 73 ILE HD11 H 1 0.956 0.007 . 1 . . . . 73 I QD1 . 17255 1 779 . 1 1 73 73 ILE HD12 H 1 0.956 0.007 . 1 . . . . 73 I QD1 . 17255 1 780 . 1 1 73 73 ILE HD13 H 1 0.956 0.007 . 1 . . . . 73 I QD1 . 17255 1 781 . 1 1 73 73 ILE CA C 13 63.642 0.137 . 1 . . . . 73 I CA . 17255 1 782 . 1 1 73 73 ILE CB C 13 38.011 0.139 . 1 . . . . 73 I CB . 17255 1 783 . 1 1 73 73 ILE CG1 C 13 28.791 0.187 . 1 . . . . 73 I CG1 . 17255 1 784 . 1 1 73 73 ILE CG2 C 13 17.827 0.243 . 1 . . . . 73 I CG2 . 17255 1 785 . 1 1 73 73 ILE CD1 C 13 14.033 0.106 . 1 . . . . 73 I CD1 . 17255 1 786 . 1 1 73 73 ILE N N 15 119.802 0.066 . 1 . . . . 73 I N . 17255 1 787 . 1 1 74 74 GLY H H 1 9.063 0.008 . 1 . . . . 74 G HN . 17255 1 788 . 1 1 74 74 GLY HA2 H 1 2.602 0.009 . 1 . . . . 74 G HA1 . 17255 1 789 . 1 1 74 74 GLY HA3 H 1 3.913 0.009 . 2 . . . . 74 G HA2 . 17255 1 790 . 1 1 74 74 GLY CA C 13 44.751 0.267 . 1 . . . . 74 G CA . 17255 1 791 . 1 1 74 74 GLY N N 15 117.216 0.044 . 1 . . . . 74 G N . 17255 1 792 . 1 1 75 75 ASP H H 1 7.614 0.006 . 1 . . . . 75 D HN . 17255 1 793 . 1 1 75 75 ASP HA H 1 4.407 0.011 . 1 . . . . 75 D HA . 17255 1 794 . 1 1 75 75 ASP HB2 H 1 2.396 0.007 . 2 . . . . 75 D HB2 . 17255 1 795 . 1 1 75 75 ASP HB3 H 1 1.943 0.008 . 2 . . . . 75 D HB3 . 17255 1 796 . 1 1 75 75 ASP CA C 13 55.759 0.064 . 1 . . . . 75 D CA . 17255 1 797 . 1 1 75 75 ASP CB C 13 40.474 0.146 . 1 . . . . 75 D CB . 17255 1 798 . 1 1 75 75 ASP N N 15 122.366 0.055 . 1 . . . . 75 D N . 17255 1 799 . 1 1 76 76 LYS H H 1 8.322 0.009 . 1 . . . . 76 K HN . 17255 1 800 . 1 1 76 76 LYS HA H 1 4.292 0.003 . 1 . . . . 76 K HA . 17255 1 801 . 1 1 76 76 LYS HB2 H 1 2.170 0.006 . 2 . . . . 76 K QB . 17255 1 802 . 1 1 76 76 LYS HB3 H 1 2.170 0.006 . 2 . . . . 76 K QB . 17255 1 803 . 1 1 76 76 LYS HG2 H 1 1.923 0.012 . 2 . . . . 76 K QG . 17255 1 804 . 1 1 76 76 LYS HG3 H 1 1.923 0.012 . 2 . . . . 76 K QG . 17255 1 805 . 1 1 76 76 LYS HD2 H 1 1.597 0.006 . 2 . . . . 76 K QD . 17255 1 806 . 1 1 76 76 LYS HD3 H 1 1.597 0.006 . 2 . . . . 76 K QD . 17255 1 807 . 1 1 76 76 LYS HE2 H 1 2.505 0.000 . 2 . . . . 76 K QE . 17255 1 808 . 1 1 76 76 LYS HE3 H 1 2.505 0.000 . 2 . . . . 76 K QE . 17255 1 809 . 1 1 76 76 LYS CA C 13 54.396 0.054 . 1 . . . . 76 K CA . 17255 1 810 . 1 1 76 76 LYS CB C 13 33.989 0.098 . 1 . . . . 76 K CB . 17255 1 811 . 1 1 76 76 LYS CG C 13 25.240 0.000 . 1 . . . . 76 K CG . 17255 1 812 . 1 1 76 76 LYS CE C 13 40.262 0.000 . 1 . . . . 76 K CE . 17255 1 813 . 1 1 76 76 LYS N N 15 122.798 0.142 . 1 . . . . 76 K N . 17255 1 814 . 1 1 77 77 ILE H H 1 8.673 0.007 . 1 . . . . 77 I HN . 17255 1 815 . 1 1 77 77 ILE HA H 1 3.799 0.010 . 1 . . . . 77 I HA . 17255 1 816 . 1 1 77 77 ILE HB H 1 1.506 0.023 . 1 . . . . 77 I HB . 17255 1 817 . 1 1 77 77 ILE HG12 H 1 1.180 0.000 . 1 . . . . 77 I QG1 . 17255 1 818 . 1 1 77 77 ILE HG13 H 1 1.180 0.000 . 1 . . . . 77 I QG1 . 17255 1 819 . 1 1 77 77 ILE HG21 H 1 0.664 0.009 . 1 . . . . 77 I QG2 . 17255 1 820 . 1 1 77 77 ILE HG22 H 1 0.664 0.009 . 1 . . . . 77 I QG2 . 17255 1 821 . 1 1 77 77 ILE HG23 H 1 0.664 0.009 . 1 . . . . 77 I QG2 . 17255 1 822 . 1 1 77 77 ILE HD11 H 1 0.680 0.012 . 1 . . . . 77 I QD1 . 17255 1 823 . 1 1 77 77 ILE HD12 H 1 0.680 0.012 . 1 . . . . 77 I QD1 . 17255 1 824 . 1 1 77 77 ILE HD13 H 1 0.680 0.012 . 1 . . . . 77 I QD1 . 17255 1 825 . 1 1 77 77 ILE CA C 13 62.126 0.273 . 1 . . . . 77 I CA . 17255 1 826 . 1 1 77 77 ILE CB C 13 37.944 0.078 . 1 . . . . 77 I CB . 17255 1 827 . 1 1 77 77 ILE CG2 C 13 19.388 0.098 . 1 . . . . 77 I CG2 . 17255 1 828 . 1 1 77 77 ILE CD1 C 13 13.628 0.093 . 1 . . . . 77 I CD1 . 17255 1 829 . 1 1 77 77 ILE N N 15 125.785 0.086 . 1 . . . . 77 I N . 17255 1 830 . 1 1 78 78 MET H H 1 9.090 0.012 . 1 . . . . 78 M HN . 17255 1 831 . 1 1 78 78 MET HA H 1 4.425 0.008 . 1 . . . . 78 M HA . 17255 1 832 . 1 1 78 78 MET HB2 H 1 1.649 0.016 . 2 . . . . 78 M QB . 17255 1 833 . 1 1 78 78 MET HB3 H 1 1.649 0.016 . 2 . . . . 78 M QB . 17255 1 834 . 1 1 78 78 MET HG2 H 1 2.328 0.008 . 2 . . . . 78 M QG . 17255 1 835 . 1 1 78 78 MET HG3 H 1 2.328 0.008 . 2 . . . . 78 M QG . 17255 1 836 . 1 1 78 78 MET HE1 H 1 1.887 0.006 . 1 . . . . 78 M QE . 17255 1 837 . 1 1 78 78 MET HE2 H 1 1.887 0.006 . 1 . . . . 78 M QE . 17255 1 838 . 1 1 78 78 MET HE3 H 1 1.887 0.006 . 1 . . . . 78 M QE . 17255 1 839 . 1 1 78 78 MET CA C 13 55.478 0.115 . 1 . . . . 78 M CA . 17255 1 840 . 1 1 78 78 MET CB C 13 32.441 0.390 . 1 . . . . 78 M CB . 17255 1 841 . 1 1 78 78 MET CG C 13 31.386 0.158 . 1 . . . . 78 M CG . 17255 1 842 . 1 1 78 78 MET CE C 13 16.089 0.077 . 1 . . . . 78 M CE . 17255 1 843 . 1 1 78 78 MET N N 15 125.255 0.078 . 1 . . . . 78 M N . 17255 1 844 . 1 1 79 79 GLN H H 1 7.607 0.006 . 1 . . . . 79 Q HN . 17255 1 845 . 1 1 79 79 GLN HA H 1 5.225 0.010 . 1 . . . . 79 Q HA . 17255 1 846 . 1 1 79 79 GLN HB2 H 1 1.753 0.009 . 2 . . . . 79 Q HB2 . 17255 1 847 . 1 1 79 79 GLN HB3 H 1 1.784 0.007 . 2 . . . . 79 Q HB3 . 17255 1 848 . 1 1 79 79 GLN HG2 H 1 2.074 0.014 . 2 . . . . 79 Q HG2 . 17255 1 849 . 1 1 79 79 GLN HG3 H 1 2.028 0.009 . 2 . . . . 79 Q HG3 . 17255 1 850 . 1 1 79 79 GLN HE21 H 1 7.581 0.009 . 2 . . . . 79 Q HE21 . 17255 1 851 . 1 1 79 79 GLN HE22 H 1 6.681 0.015 . 2 . . . . 79 Q HE22 . 17255 1 852 . 1 1 79 79 GLN CA C 13 54.835 0.216 . 1 . . . . 79 Q CA . 17255 1 853 . 1 1 79 79 GLN CB C 13 35.024 0.116 . 1 . . . . 79 Q CB . 17255 1 854 . 1 1 79 79 GLN CG C 13 34.401 0.024 . 1 . . . . 79 Q CG . 17255 1 855 . 1 1 79 79 GLN N N 15 116.394 0.066 . 1 . . . . 79 Q N . 17255 1 856 . 1 1 79 79 GLN NE2 N 15 111.454 0.040 . 1 . . . . 79 Q NE2 . 17255 1 857 . 1 1 80 80 VAL H H 1 8.497 0.007 . 1 . . . . 80 V HN . 17255 1 858 . 1 1 80 80 VAL HA H 1 4.511 0.011 . 1 . . . . 80 V HA . 17255 1 859 . 1 1 80 80 VAL HB H 1 1.956 0.016 . 1 . . . . 80 V HB . 17255 1 860 . 1 1 80 80 VAL HG11 H 1 0.826 0.004 . 1 . . . . 80 V QG1 . 17255 1 861 . 1 1 80 80 VAL HG12 H 1 0.826 0.004 . 1 . . . . 80 V QG1 . 17255 1 862 . 1 1 80 80 VAL HG13 H 1 0.826 0.004 . 1 . . . . 80 V QG1 . 17255 1 863 . 1 1 80 80 VAL HG21 H 1 0.839 0.011 . 1 . . . . 80 V QG2 . 17255 1 864 . 1 1 80 80 VAL HG22 H 1 0.839 0.011 . 1 . . . . 80 V QG2 . 17255 1 865 . 1 1 80 80 VAL HG23 H 1 0.839 0.011 . 1 . . . . 80 V QG2 . 17255 1 866 . 1 1 80 80 VAL CA C 13 60.588 0.058 . 1 . . . . 80 V CA . 17255 1 867 . 1 1 80 80 VAL CB C 13 34.915 0.109 . 1 . . . . 80 V CB . 17255 1 868 . 1 1 80 80 VAL CG1 C 13 22.066 0.252 . 2 . . . . 80 V CG1 . 17255 1 869 . 1 1 80 80 VAL CG2 C 13 21.302 0.246 . 2 . . . . 80 V CG2 . 17255 1 870 . 1 1 80 80 VAL N N 15 120.390 0.094 . 1 . . . . 80 V N . 17255 1 871 . 1 1 81 81 ASN H H 1 9.572 0.010 . 1 . . . . 81 N HN . 17255 1 872 . 1 1 81 81 ASN HA H 1 4.474 0.013 . 1 . . . . 81 N HA . 17255 1 873 . 1 1 81 81 ASN HB2 H 1 3.238 0.008 . 2 . . . . 81 N HB2 . 17255 1 874 . 1 1 81 81 ASN HB3 H 1 3.000 0.007 . 2 . . . . 81 N HB3 . 17255 1 875 . 1 1 81 81 ASN HD21 H 1 7.400 0.008 . 2 . . . . 81 N HD21 . 17255 1 876 . 1 1 81 81 ASN HD22 H 1 6.577 0.006 . 2 . . . . 81 N HD22 . 17255 1 877 . 1 1 81 81 ASN CA C 13 54.337 0.097 . 1 . . . . 81 N CA . 17255 1 878 . 1 1 81 81 ASN CB C 13 36.692 0.115 . 1 . . . . 81 N CB . 17255 1 879 . 1 1 81 81 ASN N N 15 127.486 0.082 . 1 . . . . 81 N N . 17255 1 880 . 1 1 81 81 ASN ND2 N 15 110.358 0.063 . 1 . . . . 81 N ND2 . 17255 1 881 . 1 1 82 82 GLY H H 1 8.479 0.007 . 1 . . . . 82 G HN . 17255 1 882 . 1 1 82 82 GLY HA2 H 1 3.439 0.012 . 1 . . . . 82 G HA1 . 17255 1 883 . 1 1 82 82 GLY HA3 H 1 4.006 0.012 . 2 . . . . 82 G HA2 . 17255 1 884 . 1 1 82 82 GLY CA C 13 45.208 0.116 . 1 . . . . 82 G CA . 17255 1 885 . 1 1 82 82 GLY N N 15 102.662 0.056 . 1 . . . . 82 G N . 17255 1 886 . 1 1 83 83 TRP H H 1 8.355 0.007 . 1 . . . . 83 W HN . 17255 1 887 . 1 1 83 83 TRP HA H 1 4.547 0.012 . 1 . . . . 83 W HA . 17255 1 888 . 1 1 83 83 TRP HB2 H 1 3.305 0.016 . 2 . . . . 83 W HB2 . 17255 1 889 . 1 1 83 83 TRP HB3 H 1 3.172 0.009 . 2 . . . . 83 W HB3 . 17255 1 890 . 1 1 83 83 TRP HD1 H 1 7.338 0.021 . 1 . . . . 83 W HD1 . 17255 1 891 . 1 1 83 83 TRP HE1 H 1 10.127 0.007 . 1 . . . . 83 W HE1 . 17255 1 892 . 1 1 83 83 TRP HE3 H 1 7.552 0.012 . 1 . . . . 83 W HE3 . 17255 1 893 . 1 1 83 83 TRP HZ2 H 1 7.460 0.031 . 1 . . . . 83 W HZ2 . 17255 1 894 . 1 1 83 83 TRP HZ3 H 1 7.063 0.017 . 1 . . . . 83 W HZ3 . 17255 1 895 . 1 1 83 83 TRP HH2 H 1 7.167 0.000 . 1 . . . . 83 W HH2 . 17255 1 896 . 1 1 83 83 TRP CA C 13 57.081 0.029 . 1 . . . . 83 W CA . 17255 1 897 . 1 1 83 83 TRP CB C 13 29.505 0.122 . 1 . . . . 83 W CB . 17255 1 898 . 1 1 83 83 TRP N N 15 123.595 0.066 . 1 . . . . 83 W N . 17255 1 899 . 1 1 83 83 TRP NE1 N 15 129.833 0.067 . 1 . . . . 83 W NE1 . 17255 1 900 . 1 1 84 84 ASP H H 1 8.486 0.007 . 1 . . . . 84 D HN . 17255 1 901 . 1 1 84 84 ASP HA H 1 4.397 0.013 . 1 . . . . 84 D HA . 17255 1 902 . 1 1 84 84 ASP HB2 H 1 2.642 0.008 . 2 . . . . 84 D HB2 . 17255 1 903 . 1 1 84 84 ASP HB3 H 1 2.573 0.014 . 2 . . . . 84 D HB3 . 17255 1 904 . 1 1 84 84 ASP CA C 13 55.886 0.029 . 1 . . . . 84 D CA . 17255 1 905 . 1 1 84 84 ASP CB C 13 41.823 0.060 . 1 . . . . 84 D CB . 17255 1 906 . 1 1 84 84 ASP N N 15 126.297 0.067 . 1 . . . . 84 D N . 17255 1 907 . 1 1 85 85 MET H H 1 8.086 0.006 . 1 . . . . 85 M HN . 17255 1 908 . 1 1 85 85 MET HA H 1 4.647 0.018 . 1 . . . . 85 M HA . 17255 1 909 . 1 1 85 85 MET HB2 H 1 2.142 0.010 . 2 . . . . 85 M HB2 . 17255 1 910 . 1 1 85 85 MET HB3 H 1 1.611 0.012 . 2 . . . . 85 M HB3 . 17255 1 911 . 1 1 85 85 MET HG2 H 1 2.614 0.008 . 2 . . . . 85 M HG2 . 17255 1 912 . 1 1 85 85 MET HG3 H 1 2.261 0.014 . 2 . . . . 85 M HG3 . 17255 1 913 . 1 1 85 85 MET HE1 H 1 1.931 0.007 . 1 . . . . 85 M QE . 17255 1 914 . 1 1 85 85 MET HE2 H 1 1.931 0.007 . 1 . . . . 85 M QE . 17255 1 915 . 1 1 85 85 MET HE3 H 1 1.931 0.007 . 1 . . . . 85 M QE . 17255 1 916 . 1 1 85 85 MET CA C 13 54.125 0.029 . 1 . . . . 85 M CA . 17255 1 917 . 1 1 85 85 MET CB C 13 33.489 0.132 . 1 . . . . 85 M CB . 17255 1 918 . 1 1 85 85 MET CG C 13 33.162 0.092 . 1 . . . . 85 M CG . 17255 1 919 . 1 1 85 85 MET CE C 13 18.415 0.138 . 1 . . . . 85 M CE . 17255 1 920 . 1 1 85 85 MET N N 15 123.789 0.049 . 1 . . . . 85 M N . 17255 1 921 . 1 1 86 86 THR H H 1 8.577 0.010 . 1 . . . . 86 T HN . 17255 1 922 . 1 1 86 86 THR HA H 1 4.202 0.018 . 1 . . . . 86 T HA . 17255 1 923 . 1 1 86 86 THR HB H 1 4.162 0.000 . 1 . . . . 86 T HB . 17255 1 924 . 1 1 86 86 THR HG21 H 1 1.350 0.004 . 1 . . . . 86 T QG2 . 17255 1 925 . 1 1 86 86 THR HG22 H 1 1.350 0.004 . 1 . . . . 86 T QG2 . 17255 1 926 . 1 1 86 86 THR HG23 H 1 1.350 0.004 . 1 . . . . 86 T QG2 . 17255 1 927 . 1 1 86 86 THR CA C 13 64.971 0.071 . 1 . . . . 86 T CA . 17255 1 928 . 1 1 86 86 THR CB C 13 69.760 0.064 . 1 . . . . 86 T CB . 17255 1 929 . 1 1 86 86 THR CG2 C 13 22.199 0.246 . 1 . . . . 86 T CG2 . 17255 1 930 . 1 1 86 86 THR N N 15 115.359 0.045 . 1 . . . . 86 T N . 17255 1 931 . 1 1 87 87 MET H H 1 8.456 0.008 . 1 . . . . 87 M HN . 17255 1 932 . 1 1 87 87 MET HA H 1 4.605 0.008 . 1 . . . . 87 M HA . 17255 1 933 . 1 1 87 87 MET HB2 H 1 2.076 0.010 . 2 . . . . 87 M HB2 . 17255 1 934 . 1 1 87 87 MET HB3 H 1 1.800 0.015 . 2 . . . . 87 M HB3 . 17255 1 935 . 1 1 87 87 MET HG2 H 1 2.481 0.005 . 2 . . . . 87 M HG2 . 17255 1 936 . 1 1 87 87 MET HG3 H 1 2.397 0.010 . 2 . . . . 87 M HG3 . 17255 1 937 . 1 1 87 87 MET HE1 H 1 2.102 0.003 . 1 . . . . 87 M QE . 17255 1 938 . 1 1 87 87 MET HE2 H 1 2.102 0.003 . 1 . . . . 87 M QE . 17255 1 939 . 1 1 87 87 MET HE3 H 1 2.102 0.003 . 1 . . . . 87 M QE . 17255 1 940 . 1 1 87 87 MET CA C 13 54.189 0.036 . 1 . . . . 87 M CA . 17255 1 941 . 1 1 87 87 MET CB C 13 32.485 0.071 . 1 . . . . 87 M CB . 17255 1 942 . 1 1 87 87 MET CG C 13 32.224 0.089 . 1 . . . . 87 M CG . 17255 1 943 . 1 1 87 87 MET CE C 13 22.950 0.073 . 1 . . . . 87 M CE . 17255 1 944 . 1 1 87 87 MET N N 15 123.097 0.106 . 1 . . . . 87 M N . 17255 1 945 . 1 1 88 88 VAL H H 1 7.846 0.009 . 1 . . . . 88 V HN . 17255 1 946 . 1 1 88 88 VAL HA H 1 4.854 0.006 . 1 . . . . 88 V HA . 17255 1 947 . 1 1 88 88 VAL HB H 1 2.380 0.013 . 1 . . . . 88 V HB . 17255 1 948 . 1 1 88 88 VAL HG11 H 1 0.857 0.004 . 1 . . . . 88 V QG1 . 17255 1 949 . 1 1 88 88 VAL HG12 H 1 0.857 0.004 . 1 . . . . 88 V QG1 . 17255 1 950 . 1 1 88 88 VAL HG13 H 1 0.857 0.004 . 1 . . . . 88 V QG1 . 17255 1 951 . 1 1 88 88 VAL HG21 H 1 0.872 0.002 . 1 . . . . 88 V QG2 . 17255 1 952 . 1 1 88 88 VAL HG22 H 1 0.872 0.002 . 1 . . . . 88 V QG2 . 17255 1 953 . 1 1 88 88 VAL HG23 H 1 0.872 0.002 . 1 . . . . 88 V QG2 . 17255 1 954 . 1 1 88 88 VAL CA C 13 59.028 0.043 . 1 . . . . 88 V CA . 17255 1 955 . 1 1 88 88 VAL CB C 13 34.933 0.119 . 1 . . . . 88 V CB . 17255 1 956 . 1 1 88 88 VAL CG1 C 13 18.871 0.240 . 2 . . . . 88 V CG1 . 17255 1 957 . 1 1 88 88 VAL CG2 C 13 22.427 0.203 . 2 . . . . 88 V CG2 . 17255 1 958 . 1 1 88 88 VAL N N 15 113.068 0.073 . 1 . . . . 88 V N . 17255 1 959 . 1 1 89 89 THR H H 1 8.567 0.007 . 1 . . . . 89 T HN . 17255 1 960 . 1 1 89 89 THR HA H 1 4.330 0.008 . 1 . . . . 89 T HA . 17255 1 961 . 1 1 89 89 THR HB H 1 4.598 0.009 . 1 . . . . 89 T HB . 17255 1 962 . 1 1 89 89 THR HG21 H 1 1.207 0.010 . 1 . . . . 89 T QG2 . 17255 1 963 . 1 1 89 89 THR HG22 H 1 1.207 0.010 . 1 . . . . 89 T QG2 . 17255 1 964 . 1 1 89 89 THR HG23 H 1 1.207 0.010 . 1 . . . . 89 T QG2 . 17255 1 965 . 1 1 89 89 THR CA C 13 61.359 0.142 . 1 . . . . 89 T CA . 17255 1 966 . 1 1 89 89 THR CB C 13 70.800 0.033 . 1 . . . . 89 T CB . 17255 1 967 . 1 1 89 89 THR CG2 C 13 21.994 0.098 . 1 . . . . 89 T CG2 . 17255 1 968 . 1 1 89 89 THR N N 15 112.758 0.073 . 1 . . . . 89 T N . 17255 1 969 . 1 1 90 90 HIS H H 1 10.017 0.014 . 1 . . . . 90 H HN . 17255 1 970 . 1 1 90 90 HIS HA H 1 3.776 0.006 . 1 . . . . 90 H HA . 17255 1 971 . 1 1 90 90 HIS HB2 H 1 3.453 0.008 . 2 . . . . 90 H HB2 . 17255 1 972 . 1 1 90 90 HIS HB3 H 1 3.263 0.014 . 2 . . . . 90 H HB3 . 17255 1 973 . 1 1 90 90 HIS HD2 H 1 6.949 0.005 . 1 . . . . 90 H HD2 . 17255 1 974 . 1 1 90 90 HIS CA C 13 61.727 0.088 . 1 . . . . 90 H CA . 17255 1 975 . 1 1 90 90 HIS CB C 13 28.469 0.204 . 1 . . . . 90 H CB . 17255 1 976 . 1 1 90 90 HIS N N 15 122.939 0.067 . 1 . . . . 90 H N . 17255 1 977 . 1 1 91 91 ASP H H 1 9.260 0.007 . 1 . . . . 91 D HN . 17255 1 978 . 1 1 91 91 ASP HA H 1 4.286 0.008 . 1 . . . . 91 D HA . 17255 1 979 . 1 1 91 91 ASP HB2 H 1 2.650 0.005 . 2 . . . . 91 D HB2 . 17255 1 980 . 1 1 91 91 ASP HB3 H 1 2.346 0.003 . 2 . . . . 91 D HB3 . 17255 1 981 . 1 1 91 91 ASP CA C 13 57.504 0.320 . 1 . . . . 91 D CA . 17255 1 982 . 1 1 91 91 ASP CB C 13 41.965 0.123 . 1 . . . . 91 D CB . 17255 1 983 . 1 1 91 91 ASP N N 15 115.470 0.088 . 1 . . . . 91 D N . 17255 1 984 . 1 1 92 92 GLN H H 1 7.792 0.006 . 1 . . . . 92 Q HN . 17255 1 985 . 1 1 92 92 GLN HA H 1 3.777 0.008 . 1 . . . . 92 Q HA . 17255 1 986 . 1 1 92 92 GLN HB2 H 1 1.871 0.012 . 2 . . . . 92 Q QB . 17255 1 987 . 1 1 92 92 GLN HB3 H 1 1.871 0.012 . 2 . . . . 92 Q QB . 17255 1 988 . 1 1 92 92 GLN HG2 H 1 2.423 0.005 . 2 . . . . 92 Q HG2 . 17255 1 989 . 1 1 92 92 GLN HG3 H 1 2.385 0.007 . 2 . . . . 92 Q HG3 . 17255 1 990 . 1 1 92 92 GLN HE21 H 1 7.479 0.014 . 2 . . . . 92 Q HE21 . 17255 1 991 . 1 1 92 92 GLN HE22 H 1 6.880 0.008 . 2 . . . . 92 Q HE22 . 17255 1 992 . 1 1 92 92 GLN CA C 13 59.038 0.103 . 1 . . . . 92 Q CA . 17255 1 993 . 1 1 92 92 GLN CB C 13 29.071 0.076 . 1 . . . . 92 Q CB . 17255 1 994 . 1 1 92 92 GLN CG C 13 34.912 0.049 . 1 . . . . 92 Q CG . 17255 1 995 . 1 1 92 92 GLN N N 15 117.704 0.077 . 1 . . . . 92 Q N . 17255 1 996 . 1 1 92 92 GLN NE2 N 15 111.261 0.033 . 1 . . . . 92 Q NE2 . 17255 1 997 . 1 1 93 93 ALA H H 1 7.952 0.012 . 1 . . . . 93 A HN . 17255 1 998 . 1 1 93 93 ALA HA H 1 3.808 0.011 . 1 . . . . 93 A HA . 17255 1 999 . 1 1 93 93 ALA HB1 H 1 1.249 0.006 . 1 . . . . 93 A QB . 17255 1 1000 . 1 1 93 93 ALA HB2 H 1 1.249 0.006 . 1 . . . . 93 A QB . 17255 1 1001 . 1 1 93 93 ALA HB3 H 1 1.249 0.006 . 1 . . . . 93 A QB . 17255 1 1002 . 1 1 93 93 ALA CA C 13 55.281 0.162 . 1 . . . . 93 A CA . 17255 1 1003 . 1 1 93 93 ALA CB C 13 19.046 0.092 . 1 . . . . 93 A CB . 17255 1 1004 . 1 1 93 93 ALA N N 15 121.954 0.072 . 1 . . . . 93 A N . 17255 1 1005 . 1 1 94 94 ARG H H 1 8.233 0.005 . 1 . . . . 94 R HN . 17255 1 1006 . 1 1 94 94 ARG HA H 1 3.396 0.010 . 1 . . . . 94 R HA . 17255 1 1007 . 1 1 94 94 ARG HB2 H 1 1.876 0.012 . 2 . . . . 94 R QB . 17255 1 1008 . 1 1 94 94 ARG HB3 H 1 1.876 0.012 . 2 . . . . 94 R QB . 17255 1 1009 . 1 1 94 94 ARG HG2 H 1 1.524 0.003 . 2 . . . . 94 R HG2 . 17255 1 1010 . 1 1 94 94 ARG HG3 H 1 1.351 0.015 . 2 . . . . 94 R HG3 . 17255 1 1011 . 1 1 94 94 ARG HD2 H 1 3.329 0.019 . 2 . . . . 94 R HD2 . 17255 1 1012 . 1 1 94 94 ARG HD3 H 1 3.133 0.006 . 2 . . . . 94 R HD3 . 17255 1 1013 . 1 1 94 94 ARG HE H 1 7.373 0.008 . 1 . . . . 94 R HE . 17255 1 1014 . 1 1 94 94 ARG CA C 13 60.056 0.125 . 1 . . . . 94 R CA . 17255 1 1015 . 1 1 94 94 ARG CB C 13 30.159 0.099 . 1 . . . . 94 R CB . 17255 1 1016 . 1 1 94 94 ARG CG C 13 26.791 0.162 . 1 . . . . 94 R CG . 17255 1 1017 . 1 1 94 94 ARG CD C 13 43.024 0.299 . 1 . . . . 94 R CD . 17255 1 1018 . 1 1 94 94 ARG N N 15 117.346 0.057 . 1 . . . . 94 R N . 17255 1 1019 . 1 1 94 94 ARG NE N 15 82.115 0.122 . 1 . . . . 94 R NE . 17255 1 1020 . 1 1 95 95 LYS H H 1 8.530 0.006 . 1 . . . . 95 K HN . 17255 1 1021 . 1 1 95 95 LYS HA H 1 3.632 0.005 . 1 . . . . 95 K HA . 17255 1 1022 . 1 1 95 95 LYS HB2 H 1 1.721 0.019 . 2 . . . . 95 K HB2 . 17255 1 1023 . 1 1 95 95 LYS HB3 H 1 1.621 0.007 . 2 . . . . 95 K HB3 . 17255 1 1024 . 1 1 95 95 LYS HG2 H 1 1.469 0.012 . 2 . . . . 95 K HG2 . 17255 1 1025 . 1 1 95 95 LYS HG3 H 1 1.233 0.009 . 2 . . . . 95 K HG3 . 17255 1 1026 . 1 1 95 95 LYS HD2 H 1 1.521 0.012 . 2 . . . . 95 K QD . 17255 1 1027 . 1 1 95 95 LYS HD3 H 1 1.521 0.012 . 2 . . . . 95 K QD . 17255 1 1028 . 1 1 95 95 LYS HE2 H 1 2.827 0.002 . 2 . . . . 95 K QE . 17255 1 1029 . 1 1 95 95 LYS HE3 H 1 2.827 0.002 . 2 . . . . 95 K QE . 17255 1 1030 . 1 1 95 95 LYS CA C 13 59.739 0.053 . 1 . . . . 95 K CA . 17255 1 1031 . 1 1 95 95 LYS CB C 13 32.195 0.092 . 1 . . . . 95 K CB . 17255 1 1032 . 1 1 95 95 LYS CG C 13 26.033 0.038 . 1 . . . . 95 K CG . 17255 1 1033 . 1 1 95 95 LYS CD C 13 29.112 0.144 . 1 . . . . 95 K CD . 17255 1 1034 . 1 1 95 95 LYS CE C 13 41.890 0.005 . 1 . . . . 95 K CE . 17255 1 1035 . 1 1 95 95 LYS N N 15 119.979 0.059 . 1 . . . . 95 K N . 17255 1 1036 . 1 1 96 96 ARG H H 1 7.587 0.006 . 1 . . . . 96 R HN . 17255 1 1037 . 1 1 96 96 ARG HA H 1 3.842 0.010 . 1 . . . . 96 R HA . 17255 1 1038 . 1 1 96 96 ARG HB2 H 1 1.664 0.018 . 2 . . . . 96 R HB2 . 17255 1 1039 . 1 1 96 96 ARG HB3 H 1 1.580 0.011 . 2 . . . . 96 R HB3 . 17255 1 1040 . 1 1 96 96 ARG HG2 H 1 1.488 0.011 . 2 . . . . 96 R HG2 . 17255 1 1041 . 1 1 96 96 ARG HG3 H 1 1.298 0.004 . 2 . . . . 96 R HG3 . 17255 1 1042 . 1 1 96 96 ARG HD2 H 1 2.498 0.007 . 2 . . . . 96 R HD2 . 17255 1 1043 . 1 1 96 96 ARG HD3 H 1 2.205 0.005 . 2 . . . . 96 R HD3 . 17255 1 1044 . 1 1 96 96 ARG CA C 13 57.556 0.109 . 1 . . . . 96 R CA . 17255 1 1045 . 1 1 96 96 ARG CB C 13 29.221 0.050 . 1 . . . . 96 R CB . 17255 1 1046 . 1 1 96 96 ARG CG C 13 26.247 0.057 . 1 . . . . 96 R CG . 17255 1 1047 . 1 1 96 96 ARG CD C 13 42.228 0.254 . 1 . . . . 96 R CD . 17255 1 1048 . 1 1 96 96 ARG N N 15 117.105 0.076 . 1 . . . . 96 R N . 17255 1 1049 . 1 1 97 97 LEU H H 1 7.519 0.008 . 1 . . . . 97 L HN . 17255 1 1050 . 1 1 97 97 LEU HA H 1 3.957 0.006 . 1 . . . . 97 L HA . 17255 1 1051 . 1 1 97 97 LEU HB2 H 1 1.739 0.000 . 2 . . . . 97 L HB2 . 17255 1 1052 . 1 1 97 97 LEU HB3 H 1 1.669 0.000 . 2 . . . . 97 L HB3 . 17255 1 1053 . 1 1 97 97 LEU HG H 1 1.260 0.000 . 1 . . . . 97 L HG . 17255 1 1054 . 1 1 97 97 LEU HD11 H 1 0.865 0.010 . 1 . . . . 97 L QD1 . 17255 1 1055 . 1 1 97 97 LEU HD12 H 1 0.865 0.010 . 1 . . . . 97 L QD1 . 17255 1 1056 . 1 1 97 97 LEU HD13 H 1 0.865 0.010 . 1 . . . . 97 L QD1 . 17255 1 1057 . 1 1 97 97 LEU HD21 H 1 0.682 0.004 . 1 . . . . 97 L QD2 . 17255 1 1058 . 1 1 97 97 LEU HD22 H 1 0.682 0.004 . 1 . . . . 97 L QD2 . 17255 1 1059 . 1 1 97 97 LEU HD23 H 1 0.682 0.004 . 1 . . . . 97 L QD2 . 17255 1 1060 . 1 1 97 97 LEU CA C 13 56.692 0.241 . 1 . . . . 97 L CA . 17255 1 1061 . 1 1 97 97 LEU CB C 13 42.796 0.118 . 1 . . . . 97 L CB . 17255 1 1062 . 1 1 97 97 LEU CG C 13 27.379 0.000 . 1 . . . . 97 L CG . 17255 1 1063 . 1 1 97 97 LEU CD1 C 13 24.261 0.182 . 2 . . . . 97 L CD1 . 17255 1 1064 . 1 1 97 97 LEU CD2 C 13 26.302 0.097 . 2 . . . . 97 L CD2 . 17255 1 1065 . 1 1 97 97 LEU N N 15 117.133 0.072 . 1 . . . . 97 L N . 17255 1 1066 . 1 1 98 98 THR H H 1 7.131 0.005 . 1 . . . . 98 T HN . 17255 1 1067 . 1 1 98 98 THR HA H 1 4.681 0.012 . 1 . . . . 98 T HA . 17255 1 1068 . 1 1 98 98 THR HB H 1 4.148 0.000 . 1 . . . . 98 T HB . 17255 1 1069 . 1 1 98 98 THR HG21 H 1 1.174 0.004 . 1 . . . . 98 T QG2 . 17255 1 1070 . 1 1 98 98 THR HG22 H 1 1.174 0.004 . 1 . . . . 98 T QG2 . 17255 1 1071 . 1 1 98 98 THR HG23 H 1 1.174 0.004 . 1 . . . . 98 T QG2 . 17255 1 1072 . 1 1 98 98 THR CA C 13 60.287 0.089 . 1 . . . . 98 T CA . 17255 1 1073 . 1 1 98 98 THR CB C 13 69.202 0.095 . 1 . . . . 98 T CB . 17255 1 1074 . 1 1 98 98 THR CG2 C 13 21.366 0.121 . 1 . . . . 98 T CG2 . 17255 1 1075 . 1 1 98 98 THR N N 15 105.101 0.067 . 1 . . . . 98 T N . 17255 1 1076 . 1 1 99 99 LYS H H 1 6.889 0.008 . 1 . . . . 99 K HN . 17255 1 1077 . 1 1 99 99 LYS HA H 1 4.131 0.003 . 1 . . . . 99 K HA . 17255 1 1078 . 1 1 99 99 LYS HB2 H 1 1.740 0.000 . 2 . . . . 99 K QB . 17255 1 1079 . 1 1 99 99 LYS HB3 H 1 1.740 0.000 . 2 . . . . 99 K QB . 17255 1 1080 . 1 1 99 99 LYS HG2 H 1 1.463 0.011 . 2 . . . . 99 K HG2 . 17255 1 1081 . 1 1 99 99 LYS HG3 H 1 1.257 0.007 . 2 . . . . 99 K HG3 . 17255 1 1082 . 1 1 99 99 LYS HD2 H 1 1.592 0.008 . 2 . . . . 99 K QD . 17255 1 1083 . 1 1 99 99 LYS HD3 H 1 1.592 0.008 . 2 . . . . 99 K QD . 17255 1 1084 . 1 1 99 99 LYS HE2 H 1 2.763 0.008 . 2 . . . . 99 K QE . 17255 1 1085 . 1 1 99 99 LYS HE3 H 1 2.763 0.008 . 2 . . . . 99 K QE . 17255 1 1086 . 1 1 99 99 LYS CA C 13 57.633 0.100 . 1 . . . . 99 K CA . 17255 1 1087 . 1 1 99 99 LYS CB C 13 32.011 0.067 . 1 . . . . 99 K CB . 17255 1 1088 . 1 1 99 99 LYS CG C 13 24.723 0.045 . 1 . . . . 99 K CG . 17255 1 1089 . 1 1 99 99 LYS CD C 13 29.327 0.072 . 1 . . . . 99 K CD . 17255 1 1090 . 1 1 99 99 LYS CE C 13 41.653 0.208 . 1 . . . . 99 K CE . 17255 1 1091 . 1 1 99 99 LYS N N 15 123.891 0.057 . 1 . . . . 99 K N . 17255 1 1092 . 1 1 100 100 ARG H H 1 8.682 0.015 . 1 . . . . 100 R HN . 17255 1 1093 . 1 1 100 100 ARG HA H 1 3.876 0.013 . 1 . . . . 100 R HA . 17255 1 1094 . 1 1 100 100 ARG HB2 H 1 1.814 0.004 . 2 . . . . 100 R QB . 17255 1 1095 . 1 1 100 100 ARG HB3 H 1 1.814 0.004 . 2 . . . . 100 R QB . 17255 1 1096 . 1 1 100 100 ARG HG2 H 1 1.725 0.011 . 2 . . . . 100 R QG . 17255 1 1097 . 1 1 100 100 ARG HG3 H 1 1.725 0.011 . 2 . . . . 100 R QG . 17255 1 1098 . 1 1 100 100 ARG HD2 H 1 3.212 0.010 . 2 . . . . 100 R QD . 17255 1 1099 . 1 1 100 100 ARG HD3 H 1 3.212 0.010 . 2 . . . . 100 R QD . 17255 1 1100 . 1 1 100 100 ARG CA C 13 58.589 0.073 . 1 . . . . 100 R CA . 17255 1 1101 . 1 1 100 100 ARG CB C 13 30.071 0.054 . 1 . . . . 100 R CB . 17255 1 1102 . 1 1 100 100 ARG CG C 13 27.562 0.094 . 1 . . . . 100 R CG . 17255 1 1103 . 1 1 100 100 ARG CD C 13 43.322 0.023 . 1 . . . . 100 R CD . 17255 1 1104 . 1 1 100 100 ARG N N 15 128.320 0.074 . 1 . . . . 100 R N . 17255 1 1105 . 1 1 101 101 SER H H 1 7.550 0.008 . 1 . . . . 101 S HN . 17255 1 1106 . 1 1 101 101 SER HA H 1 4.178 0.005 . 1 . . . . 101 S HA . 17255 1 1107 . 1 1 101 101 SER HB2 H 1 4.023 0.003 . 2 . . . . 101 S HB2 . 17255 1 1108 . 1 1 101 101 SER HB3 H 1 3.685 0.009 . 2 . . . . 101 S HB3 . 17255 1 1109 . 1 1 101 101 SER CA C 13 58.202 0.078 . 1 . . . . 101 S CA . 17255 1 1110 . 1 1 101 101 SER CB C 13 62.929 0.113 . 1 . . . . 101 S CB . 17255 1 1111 . 1 1 101 101 SER N N 15 108.729 0.043 . 1 . . . . 101 S N . 17255 1 1112 . 1 1 102 102 GLU H H 1 7.224 0.009 . 1 . . . . 102 E HN . 17255 1 1113 . 1 1 102 102 GLU HA H 1 4.474 0.004 . 1 . . . . 102 E HA . 17255 1 1114 . 1 1 102 102 GLU HB2 H 1 1.715 0.009 . 2 . . . . 102 E QB . 17255 1 1115 . 1 1 102 102 GLU HB3 H 1 1.715 0.009 . 2 . . . . 102 E QB . 17255 1 1116 . 1 1 102 102 GLU HG2 H 1 2.059 0.010 . 2 . . . . 102 E QG . 17255 1 1117 . 1 1 102 102 GLU HG3 H 1 2.059 0.010 . 2 . . . . 102 E QG . 17255 1 1118 . 1 1 102 102 GLU CA C 13 54.703 0.049 . 1 . . . . 102 E CA . 17255 1 1119 . 1 1 102 102 GLU CB C 13 31.086 0.076 . 1 . . . . 102 E CB . 17255 1 1120 . 1 1 102 102 GLU CG C 13 36.134 0.023 . 1 . . . . 102 E CG . 17255 1 1121 . 1 1 102 102 GLU N N 15 121.834 0.062 . 1 . . . . 102 E N . 17255 1 1122 . 1 1 103 103 GLU H H 1 8.675 0.007 . 1 . . . . 103 E HN . 17255 1 1123 . 1 1 103 103 GLU HA H 1 3.966 0.005 . 1 . . . . 103 E HA . 17255 1 1124 . 1 1 103 103 GLU HB2 H 1 1.893 0.000 . 2 . . . . 103 E QB . 17255 1 1125 . 1 1 103 103 GLU HB3 H 1 1.893 0.000 . 2 . . . . 103 E QB . 17255 1 1126 . 1 1 103 103 GLU HG2 H 1 2.229 0.005 . 2 . . . . 103 E HG2 . 17255 1 1127 . 1 1 103 103 GLU HG3 H 1 2.103 0.002 . 2 . . . . 103 E HG3 . 17255 1 1128 . 1 1 103 103 GLU CA C 13 57.830 0.090 . 1 . . . . 103 E CA . 17255 1 1129 . 1 1 103 103 GLU CB C 13 30.546 0.151 . 1 . . . . 103 E CB . 17255 1 1130 . 1 1 103 103 GLU CG C 13 36.967 0.174 . 1 . . . . 103 E CG . 17255 1 1131 . 1 1 103 103 GLU N N 15 122.965 0.098 . 1 . . . . 103 E N . 17255 1 1132 . 1 1 104 104 VAL H H 1 7.516 0.008 . 1 . . . . 104 V HN . 17255 1 1133 . 1 1 104 104 VAL HA H 1 4.663 0.004 . 1 . . . . 104 V HA . 17255 1 1134 . 1 1 104 104 VAL HB H 1 1.648 0.005 . 1 . . . . 104 V HB . 17255 1 1135 . 1 1 104 104 VAL HG11 H 1 0.438 0.013 . 1 . . . . 104 V QG1 . 17255 1 1136 . 1 1 104 104 VAL HG12 H 1 0.438 0.013 . 1 . . . . 104 V QG1 . 17255 1 1137 . 1 1 104 104 VAL HG13 H 1 0.438 0.013 . 1 . . . . 104 V QG1 . 17255 1 1138 . 1 1 104 104 VAL HG21 H 1 0.509 0.002 . 1 . . . . 104 V QG2 . 17255 1 1139 . 1 1 104 104 VAL HG22 H 1 0.509 0.002 . 1 . . . . 104 V QG2 . 17255 1 1140 . 1 1 104 104 VAL HG23 H 1 0.509 0.002 . 1 . . . . 104 V QG2 . 17255 1 1141 . 1 1 104 104 VAL CA C 13 60.264 0.103 . 1 . . . . 104 V CA . 17255 1 1142 . 1 1 104 104 VAL CB C 13 34.457 0.190 . 1 . . . . 104 V CB . 17255 1 1143 . 1 1 104 104 VAL CG1 C 13 21.078 0.094 . 2 . . . . 104 V CG1 . 17255 1 1144 . 1 1 104 104 VAL CG2 C 13 20.453 0.126 . 2 . . . . 104 V CG2 . 17255 1 1145 . 1 1 104 104 VAL N N 15 117.462 0.095 . 1 . . . . 104 V N . 17255 1 1146 . 1 1 105 105 VAL H H 1 8.621 0.009 . 1 . . . . 105 V HN . 17255 1 1147 . 1 1 105 105 VAL HA H 1 4.636 0.011 . 1 . . . . 105 V HA . 17255 1 1148 . 1 1 105 105 VAL HB H 1 1.769 0.010 . 1 . . . . 105 V HB . 17255 1 1149 . 1 1 105 105 VAL HG11 H 1 0.482 0.023 . 1 . . . . 105 V QG1 . 17255 1 1150 . 1 1 105 105 VAL HG12 H 1 0.482 0.023 . 1 . . . . 105 V QG1 . 17255 1 1151 . 1 1 105 105 VAL HG13 H 1 0.482 0.023 . 1 . . . . 105 V QG1 . 17255 1 1152 . 1 1 105 105 VAL HG21 H 1 0.860 0.015 . 1 . . . . 105 V QG2 . 17255 1 1153 . 1 1 105 105 VAL HG22 H 1 0.860 0.015 . 1 . . . . 105 V QG2 . 17255 1 1154 . 1 1 105 105 VAL HG23 H 1 0.860 0.015 . 1 . . . . 105 V QG2 . 17255 1 1155 . 1 1 105 105 VAL CA C 13 59.716 0.089 . 1 . . . . 105 V CA . 17255 1 1156 . 1 1 105 105 VAL CB C 13 34.866 0.055 . 1 . . . . 105 V CB . 17255 1 1157 . 1 1 105 105 VAL CG2 C 13 22.253 0.053 . 2 . . . . 105 V CG2 . 17255 1 1158 . 1 1 105 105 VAL N N 15 120.820 0.048 . 1 . . . . 105 V N . 17255 1 1159 . 1 1 106 106 ARG H H 1 8.765 0.009 . 1 . . . . 106 R HN . 17255 1 1160 . 1 1 106 106 ARG HA H 1 4.748 0.007 . 1 . . . . 106 R HA . 17255 1 1161 . 1 1 106 106 ARG HB2 H 1 1.728 0.000 . 2 . . . . 106 R HB2 . 17255 1 1162 . 1 1 106 106 ARG HB3 H 1 1.777 0.007 . 2 . . . . 106 R HB3 . 17255 1 1163 . 1 1 106 106 ARG HG2 H 1 1.461 0.000 . 2 . . . . 106 R HG2 . 17255 1 1164 . 1 1 106 106 ARG HG3 H 1 1.407 0.000 . 2 . . . . 106 R HG3 . 17255 1 1165 . 1 1 106 106 ARG HD2 H 1 3.076 0.000 . 2 . . . . 106 R QD . 17255 1 1166 . 1 1 106 106 ARG HD3 H 1 3.076 0.000 . 2 . . . . 106 R QD . 17255 1 1167 . 1 1 106 106 ARG CA C 13 55.449 0.181 . 1 . . . . 106 R CA . 17255 1 1168 . 1 1 106 106 ARG CB C 13 30.060 0.035 . 1 . . . . 106 R CB . 17255 1 1169 . 1 1 106 106 ARG CG C 13 28.171 0.173 . 1 . . . . 106 R CG . 17255 1 1170 . 1 1 106 106 ARG CD C 13 43.238 0.035 . 1 . . . . 106 R CD . 17255 1 1171 . 1 1 106 106 ARG N N 15 125.489 0.202 . 1 . . . . 106 R N . 17255 1 1172 . 1 1 107 107 LEU H H 1 9.460 0.006 . 1 . . . . 107 L HN . 17255 1 1173 . 1 1 107 107 LEU HA H 1 5.212 0.005 . 1 . . . . 107 L HA . 17255 1 1174 . 1 1 107 107 LEU HB2 H 1 1.186 0.008 . 2 . . . . 107 L HB2 . 17255 1 1175 . 1 1 107 107 LEU HB3 H 1 1.586 0.003 . 2 . . . . 107 L HB3 . 17255 1 1176 . 1 1 107 107 LEU HD11 H 1 0.756 0.003 . 1 . . . . 107 L QD1 . 17255 1 1177 . 1 1 107 107 LEU HD12 H 1 0.756 0.003 . 1 . . . . 107 L QD1 . 17255 1 1178 . 1 1 107 107 LEU HD13 H 1 0.756 0.003 . 1 . . . . 107 L QD1 . 17255 1 1179 . 1 1 107 107 LEU HD21 H 1 0.584 0.007 . 1 . . . . 107 L QD2 . 17255 1 1180 . 1 1 107 107 LEU HD22 H 1 0.584 0.007 . 1 . . . . 107 L QD2 . 17255 1 1181 . 1 1 107 107 LEU HD23 H 1 0.584 0.007 . 1 . . . . 107 L QD2 . 17255 1 1182 . 1 1 107 107 LEU CA C 13 53.216 0.115 . 1 . . . . 107 L CA . 17255 1 1183 . 1 1 107 107 LEU CB C 13 44.490 0.158 . 1 . . . . 107 L CB . 17255 1 1184 . 1 1 107 107 LEU CG C 13 26.967 0.000 . 1 . . . . 107 L CG . 17255 1 1185 . 1 1 107 107 LEU CD1 C 13 25.593 0.035 . 2 . . . . 107 L CD1 . 17255 1 1186 . 1 1 107 107 LEU CD2 C 13 26.876 0.065 . 2 . . . . 107 L CD2 . 17255 1 1187 . 1 1 107 107 LEU N N 15 125.400 0.037 . 1 . . . . 107 L N . 17255 1 1188 . 1 1 108 108 LEU H H 1 7.880 0.010 . 1 . . . . 108 L HN . 17255 1 1189 . 1 1 108 108 LEU HA H 1 5.019 0.010 . 1 . . . . 108 L HA . 17255 1 1190 . 1 1 108 108 LEU HB2 H 1 1.416 0.017 . 2 . . . . 108 L HB2 . 17255 1 1191 . 1 1 108 108 LEU HB3 H 1 1.333 0.013 . 2 . . . . 108 L HB3 . 17255 1 1192 . 1 1 108 108 LEU HG H 1 1.203 0.003 . 1 . . . . 108 L HG . 17255 1 1193 . 1 1 108 108 LEU HD11 H 1 0.693 0.009 . 1 . . . . 108 L QD1 . 17255 1 1194 . 1 1 108 108 LEU HD12 H 1 0.693 0.009 . 1 . . . . 108 L QD1 . 17255 1 1195 . 1 1 108 108 LEU HD13 H 1 0.693 0.009 . 1 . . . . 108 L QD1 . 17255 1 1196 . 1 1 108 108 LEU HD21 H 1 0.670 0.015 . 1 . . . . 108 L QD2 . 17255 1 1197 . 1 1 108 108 LEU HD22 H 1 0.670 0.015 . 1 . . . . 108 L QD2 . 17255 1 1198 . 1 1 108 108 LEU HD23 H 1 0.670 0.015 . 1 . . . . 108 L QD2 . 17255 1 1199 . 1 1 108 108 LEU CA C 13 54.524 0.244 . 1 . . . . 108 L CA . 17255 1 1200 . 1 1 108 108 LEU CB C 13 44.270 0.143 . 1 . . . . 108 L CB . 17255 1 1201 . 1 1 108 108 LEU CG C 13 26.993 0.127 . 1 . . . . 108 L CG . 17255 1 1202 . 1 1 108 108 LEU CD1 C 13 24.317 0.018 . 2 . . . . 108 L CD1 . 17255 1 1203 . 1 1 108 108 LEU CD2 C 13 24.312 0.098 . 2 . . . . 108 L CD2 . 17255 1 1204 . 1 1 108 108 LEU N N 15 123.530 0.113 . 1 . . . . 108 L N . 17255 1 1205 . 1 1 109 109 VAL H H 1 9.071 0.008 . 1 . . . . 109 V HN . 17255 1 1206 . 1 1 109 109 VAL HA H 1 5.548 0.007 . 1 . . . . 109 V HA . 17255 1 1207 . 1 1 109 109 VAL HB H 1 1.817 0.013 . 1 . . . . 109 V HB . 17255 1 1208 . 1 1 109 109 VAL HG11 H 1 0.541 0.015 . 1 . . . . 109 V QG1 . 17255 1 1209 . 1 1 109 109 VAL HG12 H 1 0.541 0.015 . 1 . . . . 109 V QG1 . 17255 1 1210 . 1 1 109 109 VAL HG13 H 1 0.541 0.015 . 1 . . . . 109 V QG1 . 17255 1 1211 . 1 1 109 109 VAL HG21 H 1 0.577 0.011 . 1 . . . . 109 V QG2 . 17255 1 1212 . 1 1 109 109 VAL HG22 H 1 0.577 0.011 . 1 . . . . 109 V QG2 . 17255 1 1213 . 1 1 109 109 VAL HG23 H 1 0.577 0.011 . 1 . . . . 109 V QG2 . 17255 1 1214 . 1 1 109 109 VAL CA C 13 57.915 0.149 . 1 . . . . 109 V CA . 17255 1 1215 . 1 1 109 109 VAL CB C 13 35.182 0.202 . 1 . . . . 109 V CB . 17255 1 1216 . 1 1 109 109 VAL CG1 C 13 18.294 0.192 . 2 . . . . 109 V CG1 . 17255 1 1217 . 1 1 109 109 VAL CG2 C 13 21.280 0.053 . 2 . . . . 109 V CG2 . 17255 1 1218 . 1 1 109 109 VAL N N 15 119.500 0.097 . 1 . . . . 109 V N . 17255 1 1219 . 1 1 110 110 THR H H 1 8.905 0.008 . 1 . . . . 110 T HN . 17255 1 1220 . 1 1 110 110 THR HA H 1 5.085 0.007 . 1 . . . . 110 T HA . 17255 1 1221 . 1 1 110 110 THR HB H 1 3.900 0.008 . 1 . . . . 110 T HB . 17255 1 1222 . 1 1 110 110 THR HG21 H 1 1.045 0.013 . 1 . . . . 110 T QG2 . 17255 1 1223 . 1 1 110 110 THR HG22 H 1 1.045 0.013 . 1 . . . . 110 T QG2 . 17255 1 1224 . 1 1 110 110 THR HG23 H 1 1.045 0.013 . 1 . . . . 110 T QG2 . 17255 1 1225 . 1 1 110 110 THR CA C 13 60.651 0.165 . 1 . . . . 110 T CA . 17255 1 1226 . 1 1 110 110 THR CB C 13 70.979 0.096 . 1 . . . . 110 T CB . 17255 1 1227 . 1 1 110 110 THR CG2 C 13 21.734 0.217 . 1 . . . . 110 T CG2 . 17255 1 1228 . 1 1 110 110 THR N N 15 114.109 0.056 . 1 . . . . 110 T N . 17255 1 1229 . 1 1 111 111 ARG H H 1 8.784 0.011 . 1 . . . . 111 R HN . 17255 1 1230 . 1 1 111 111 ARG HA H 1 4.751 0.010 . 1 . . . . 111 R HA . 17255 1 1231 . 1 1 111 111 ARG HB2 H 1 1.842 0.010 . 2 . . . . 111 R QB . 17255 1 1232 . 1 1 111 111 ARG HB3 H 1 1.842 0.010 . 2 . . . . 111 R QB . 17255 1 1233 . 1 1 111 111 ARG HG2 H 1 1.467 0.009 . 2 . . . . 111 R HG2 . 17255 1 1234 . 1 1 111 111 ARG HG3 H 1 1.409 0.010 . 2 . . . . 111 R HG3 . 17255 1 1235 . 1 1 111 111 ARG HD2 H 1 2.970 0.010 . 2 . . . . 111 R HD2 . 17255 1 1236 . 1 1 111 111 ARG HD3 H 1 2.903 0.008 . 2 . . . . 111 R HD3 . 17255 1 1237 . 1 1 111 111 ARG HE H 1 7.214 0.005 . 1 . . . . 111 R HE . 17255 1 1238 . 1 1 111 111 ARG CA C 13 54.668 0.043 . 1 . . . . 111 R CA . 17255 1 1239 . 1 1 111 111 ARG CB C 13 33.387 0.076 . 1 . . . . 111 R CB . 17255 1 1240 . 1 1 111 111 ARG CG C 13 25.810 0.053 . 1 . . . . 111 R CG . 17255 1 1241 . 1 1 111 111 ARG CD C 13 43.363 0.072 . 1 . . . . 111 R CD . 17255 1 1242 . 1 1 111 111 ARG N N 15 126.316 0.157 . 1 . . . . 111 R N . 17255 1 1243 . 1 1 111 111 ARG NE N 15 84.728 0.037 . 1 . . . . 111 R NE . 17255 1 1244 . 1 1 112 112 GLN H H 1 8.861 0.006 . 1 . . . . 112 Q HN . 17255 1 1245 . 1 1 112 112 GLN HA H 1 4.414 0.011 . 1 . . . . 112 Q HA . 17255 1 1246 . 1 1 112 112 GLN HB2 H 1 2.034 0.012 . 2 . . . . 112 Q HB2 . 17255 1 1247 . 1 1 112 112 GLN HB3 H 1 1.986 0.010 . 2 . . . . 112 Q HB3 . 17255 1 1248 . 1 1 112 112 GLN HG2 H 1 2.406 0.022 . 2 . . . . 112 Q HG2 . 17255 1 1249 . 1 1 112 112 GLN HG3 H 1 2.348 0.012 . 2 . . . . 112 Q HG3 . 17255 1 1250 . 1 1 112 112 GLN HE21 H 1 7.594 0.011 . 2 . . . . 112 Q HE21 . 17255 1 1251 . 1 1 112 112 GLN HE22 H 1 6.857 0.013 . 2 . . . . 112 Q HE22 . 17255 1 1252 . 1 1 112 112 GLN CA C 13 55.824 0.247 . 1 . . . . 112 Q CA . 17255 1 1253 . 1 1 112 112 GLN CB C 13 29.451 0.173 . 1 . . . . 112 Q CB . 17255 1 1254 . 1 1 112 112 GLN CG C 13 33.858 0.201 . 1 . . . . 112 Q CG . 17255 1 1255 . 1 1 112 112 GLN N N 15 123.790 0.066 . 1 . . . . 112 Q N . 17255 1 1256 . 1 1 112 112 GLN NE2 N 15 111.755 0.025 . 1 . . . . 112 Q NE2 . 17255 1 1257 . 1 1 113 113 SER H H 1 8.501 0.009 . 1 . . . . 113 S HN . 17255 1 1258 . 1 1 113 113 SER HA H 1 4.366 0.011 . 1 . . . . 113 S HA . 17255 1 1259 . 1 1 113 113 SER HB2 H 1 3.751 0.011 . 2 . . . . 113 S QB . 17255 1 1260 . 1 1 113 113 SER HB3 H 1 3.751 0.011 . 2 . . . . 113 S QB . 17255 1 1261 . 1 1 113 113 SER CA C 13 58.268 0.081 . 1 . . . . 113 S CA . 17255 1 1262 . 1 1 113 113 SER CB C 13 63.893 0.142 . 1 . . . . 113 S CB . 17255 1 1263 . 1 1 113 113 SER N N 15 117.088 0.045 . 1 . . . . 113 S N . 17255 1 1264 . 1 1 114 114 LEU H H 1 8.218 0.009 . 1 . . . . 114 L HN . 17255 1 1265 . 1 1 114 114 LEU HA H 1 4.324 0.010 . 1 . . . . 114 L HA . 17255 1 1266 . 1 1 114 114 LEU HB2 H 1 1.539 0.009 . 2 . . . . 114 L QB . 17255 1 1267 . 1 1 114 114 LEU HB3 H 1 1.539 0.009 . 2 . . . . 114 L QB . 17255 1 1268 . 1 1 114 114 LEU HG H 1 1.451 0.000 . 1 . . . . 114 L HG . 17255 1 1269 . 1 1 114 114 LEU HD11 H 1 0.802 0.013 . 1 . . . . 114 L QD1 . 17255 1 1270 . 1 1 114 114 LEU HD12 H 1 0.802 0.013 . 1 . . . . 114 L QD1 . 17255 1 1271 . 1 1 114 114 LEU HD13 H 1 0.802 0.013 . 1 . . . . 114 L QD1 . 17255 1 1272 . 1 1 114 114 LEU HD21 H 1 0.845 0.010 . 1 . . . . 114 L QD2 . 17255 1 1273 . 1 1 114 114 LEU HD22 H 1 0.845 0.010 . 1 . . . . 114 L QD2 . 17255 1 1274 . 1 1 114 114 LEU HD23 H 1 0.845 0.010 . 1 . . . . 114 L QD2 . 17255 1 1275 . 1 1 114 114 LEU CA C 13 55.253 0.074 . 1 . . . . 114 L CA . 17255 1 1276 . 1 1 114 114 LEU CB C 13 42.257 0.261 . 1 . . . . 114 L CB . 17255 1 1277 . 1 1 114 114 LEU CD1 C 13 23.667 0.156 . 2 . . . . 114 L CD1 . 17255 1 1278 . 1 1 114 114 LEU CD2 C 13 24.728 0.178 . 2 . . . . 114 L CD2 . 17255 1 1279 . 1 1 114 114 LEU N N 15 124.389 0.079 . 1 . . . . 114 L N . 17255 1 1280 . 1 1 115 115 GLN H H 1 8.291 0.005 . 1 . . . . 115 Q HN . 17255 1 1281 . 1 1 115 115 GLN HA H 1 4.206 0.013 . 1 . . . . 115 Q HA . 17255 1 1282 . 1 1 115 115 GLN HB2 H 1 2.012 0.006 . 2 . . . . 115 Q HB2 . 17255 1 1283 . 1 1 115 115 GLN HB3 H 1 1.881 0.004 . 2 . . . . 115 Q HB3 . 17255 1 1284 . 1 1 115 115 GLN HG2 H 1 2.277 0.006 . 2 . . . . 115 Q QG . 17255 1 1285 . 1 1 115 115 GLN HG3 H 1 2.277 0.006 . 2 . . . . 115 Q QG . 17255 1 1286 . 1 1 115 115 GLN CA C 13 56.065 0.131 . 1 . . . . 115 Q CA . 17255 1 1287 . 1 1 115 115 GLN CB C 13 29.517 0.197 . 1 . . . . 115 Q CB . 17255 1 1288 . 1 1 115 115 GLN CG C 13 33.738 0.097 . 1 . . . . 115 Q CG . 17255 1 1289 . 1 1 115 115 GLN N N 15 121.340 0.083 . 1 . . . . 115 Q N . 17255 1 1290 . 1 1 116 116 LYS H H 1 8.239 0.007 . 1 . . . . 116 K HN . 17255 1 1291 . 1 1 116 116 LYS HA H 1 4.190 0.008 . 1 . . . . 116 K HA . 17255 1 1292 . 1 1 116 116 LYS HB2 H 1 1.720 0.009 . 2 . . . . 116 K HB2 . 17255 1 1293 . 1 1 116 116 LYS HB3 H 1 1.665 0.008 . 2 . . . . 116 K HB3 . 17255 1 1294 . 1 1 116 116 LYS HG2 H 1 1.359 0.015 . 2 . . . . 116 K QG . 17255 1 1295 . 1 1 116 116 LYS HG3 H 1 1.359 0.015 . 2 . . . . 116 K QG . 17255 1 1296 . 1 1 116 116 LYS HD2 H 1 1.602 0.002 . 2 . . . . 116 K QD . 17255 1 1297 . 1 1 116 116 LYS HD3 H 1 1.602 0.002 . 2 . . . . 116 K QD . 17255 1 1298 . 1 1 116 116 LYS HE2 H 1 2.913 0.004 . 2 . . . . 116 K QE . 17255 1 1299 . 1 1 116 116 LYS HE3 H 1 2.913 0.004 . 2 . . . . 116 K QE . 17255 1 1300 . 1 1 116 116 LYS CA C 13 56.336 0.221 . 1 . . . . 116 K CA . 17255 1 1301 . 1 1 116 116 LYS CB C 13 33.131 0.043 . 1 . . . . 116 K CB . 17255 1 1302 . 1 1 116 116 LYS CG C 13 24.747 0.055 . 1 . . . . 116 K CG . 17255 1 1303 . 1 1 116 116 LYS CD C 13 29.078 0.057 . 1 . . . . 116 K CD . 17255 1 1304 . 1 1 116 116 LYS CE C 13 42.129 0.057 . 1 . . . . 116 K CE . 17255 1 1305 . 1 1 116 116 LYS N N 15 122.701 0.087 . 1 . . . . 116 K N . 17255 1 1306 . 1 1 117 117 ALA H H 1 8.221 0.009 . 1 . . . . 117 A HN . 17255 1 1307 . 1 1 117 117 ALA HA H 1 4.238 0.004 . 1 . . . . 117 A HA . 17255 1 1308 . 1 1 117 117 ALA HB1 H 1 1.304 0.012 . 1 . . . . 117 A QB . 17255 1 1309 . 1 1 117 117 ALA HB2 H 1 1.304 0.012 . 1 . . . . 117 A QB . 17255 1 1310 . 1 1 117 117 ALA HB3 H 1 1.304 0.012 . 1 . . . . 117 A QB . 17255 1 1311 . 1 1 117 117 ALA CA C 13 52.538 0.064 . 1 . . . . 117 A CA . 17255 1 1312 . 1 1 117 117 ALA CB C 13 19.140 0.136 . 1 . . . . 117 A CB . 17255 1 1313 . 1 1 117 117 ALA N N 15 125.024 0.060 . 1 . . . . 117 A N . 17255 1 1314 . 1 1 118 118 VAL H H 1 8.044 0.007 . 1 . . . . 118 V HN . 17255 1 1315 . 1 1 118 118 VAL HA H 1 3.976 0.008 . 1 . . . . 118 V HA . 17255 1 1316 . 1 1 118 118 VAL HB H 1 1.979 0.009 . 1 . . . . 118 V HB . 17255 1 1317 . 1 1 118 118 VAL HG11 H 1 0.850 0.006 . 1 . . . . 118 V QG1 . 17255 1 1318 . 1 1 118 118 VAL HG12 H 1 0.850 0.006 . 1 . . . . 118 V QG1 . 17255 1 1319 . 1 1 118 118 VAL HG13 H 1 0.850 0.006 . 1 . . . . 118 V QG1 . 17255 1 1320 . 1 1 118 118 VAL HG21 H 1 0.865 0.005 . 1 . . . . 118 V QG2 . 17255 1 1321 . 1 1 118 118 VAL HG22 H 1 0.865 0.005 . 1 . . . . 118 V QG2 . 17255 1 1322 . 1 1 118 118 VAL HG23 H 1 0.865 0.005 . 1 . . . . 118 V QG2 . 17255 1 1323 . 1 1 118 118 VAL CA C 13 62.506 0.129 . 1 . . . . 118 V CA . 17255 1 1324 . 1 1 118 118 VAL CB C 13 32.914 0.220 . 1 . . . . 118 V CB . 17255 1 1325 . 1 1 118 118 VAL CG1 C 13 20.843 0.008 . 2 . . . . 118 V CG1 . 17255 1 1326 . 1 1 118 118 VAL CG2 C 13 21.131 0.097 . 2 . . . . 118 V CG2 . 17255 1 1327 . 1 1 118 118 VAL N N 15 119.586 0.029 . 1 . . . . 118 V N . 17255 1 1328 . 1 1 119 119 GLN H H 1 8.351 0.010 . 1 . . . . 119 Q HN . 17255 1 1329 . 1 1 119 119 GLN HA H 1 4.242 0.010 . 1 . . . . 119 Q HA . 17255 1 1330 . 1 1 119 119 GLN HB2 H 1 2.018 0.003 . 2 . . . . 119 Q HB2 . 17255 1 1331 . 1 1 119 119 GLN HB3 H 1 1.938 0.007 . 2 . . . . 119 Q HB3 . 17255 1 1332 . 1 1 119 119 GLN HG2 H 1 2.282 0.010 . 2 . . . . 119 Q QG . 17255 1 1333 . 1 1 119 119 GLN HG3 H 1 2.282 0.010 . 2 . . . . 119 Q QG . 17255 1 1334 . 1 1 119 119 GLN HE21 H 1 7.471 0.008 . 2 . . . . 119 Q HE21 . 17255 1 1335 . 1 1 119 119 GLN HE22 H 1 6.810 0.004 . 2 . . . . 119 Q HE22 . 17255 1 1336 . 1 1 119 119 GLN CA C 13 56.076 0.098 . 1 . . . . 119 Q CA . 17255 1 1337 . 1 1 119 119 GLN CB C 13 29.543 0.267 . 1 . . . . 119 Q CB . 17255 1 1338 . 1 1 119 119 GLN CG C 13 33.767 0.030 . 1 . . . . 119 Q CG . 17255 1 1339 . 1 1 119 119 GLN N N 15 123.994 0.053 . 1 . . . . 119 Q N . 17255 1 1340 . 1 1 119 119 GLN NE2 N 15 112.474 0.055 . 1 . . . . 119 Q NE2 . 17255 1 1341 . 1 1 120 120 GLN H H 1 8.415 0.009 . 1 . . . . 120 Q HN . 17255 1 1342 . 1 1 120 120 GLN HA H 1 4.226 0.017 . 1 . . . . 120 Q HA . 17255 1 1343 . 1 1 120 120 GLN HB2 H 1 2.033 0.015 . 2 . . . . 120 Q HB2 . 17255 1 1344 . 1 1 120 120 GLN HB3 H 1 1.950 0.008 . 2 . . . . 120 Q HB3 . 17255 1 1345 . 1 1 120 120 GLN HG2 H 1 2.295 0.015 . 2 . . . . 120 Q QG . 17255 1 1346 . 1 1 120 120 GLN HG3 H 1 2.295 0.015 . 2 . . . . 120 Q QG . 17255 1 1347 . 1 1 120 120 GLN HE21 H 1 7.446 0.010 . 2 . . . . 120 Q HE21 . 17255 1 1348 . 1 1 120 120 GLN HE22 H 1 6.813 0.004 . 2 . . . . 120 Q HE22 . 17255 1 1349 . 1 1 120 120 GLN CA C 13 56.283 0.140 . 1 . . . . 120 Q CA . 17255 1 1350 . 1 1 120 120 GLN CB C 13 29.575 0.253 . 1 . . . . 120 Q CB . 17255 1 1351 . 1 1 120 120 GLN CG C 13 33.751 0.020 . 1 . . . . 120 Q CG . 17255 1 1352 . 1 1 120 120 GLN N N 15 122.052 0.061 . 1 . . . . 120 Q N . 17255 1 1353 . 1 1 120 120 GLN NE2 N 15 112.499 0.037 . 1 . . . . 120 Q NE2 . 17255 1 1354 . 1 1 121 121 SER H H 1 8.308 0.008 . 1 . . . . 121 S HN . 17255 1 1355 . 1 1 121 121 SER HA H 1 4.350 0.002 . 1 . . . . 121 S HA . 17255 1 1356 . 1 1 121 121 SER HB2 H 1 3.800 0.006 . 2 . . . . 121 S QB . 17255 1 1357 . 1 1 121 121 SER HB3 H 1 3.800 0.006 . 2 . . . . 121 S QB . 17255 1 1358 . 1 1 121 121 SER CA C 13 58.662 0.107 . 1 . . . . 121 S CA . 17255 1 1359 . 1 1 121 121 SER CB C 13 63.771 0.114 . 1 . . . . 121 S CB . 17255 1 1360 . 1 1 121 121 SER N N 15 116.851 0.056 . 1 . . . . 121 S N . 17255 1 1361 . 1 1 122 122 MET H H 1 8.305 0.009 . 1 . . . . 122 M HN . 17255 1 1362 . 1 1 122 122 MET HA H 1 4.450 0.004 . 1 . . . . 122 M HA . 17255 1 1363 . 1 1 122 122 MET HB2 H 1 2.054 0.022 . 2 . . . . 122 M HB2 . 17255 1 1364 . 1 1 122 122 MET HB3 H 1 1.943 0.005 . 2 . . . . 122 M HB3 . 17255 1 1365 . 1 1 122 122 MET HG2 H 1 2.538 0.011 . 2 . . . . 122 M HG2 . 17255 1 1366 . 1 1 122 122 MET HG3 H 1 2.458 0.008 . 2 . . . . 122 M HG3 . 17255 1 1367 . 1 1 122 122 MET HE1 H 1 2.012 0.000 . 1 . . . . 122 M QE . 17255 1 1368 . 1 1 122 122 MET HE2 H 1 2.012 0.000 . 1 . . . . 122 M QE . 17255 1 1369 . 1 1 122 122 MET HE3 H 1 2.012 0.000 . 1 . . . . 122 M QE . 17255 1 1370 . 1 1 122 122 MET CA C 13 55.510 0.062 . 1 . . . . 122 M CA . 17255 1 1371 . 1 1 122 122 MET CB C 13 32.796 0.090 . 1 . . . . 122 M CB . 17255 1 1372 . 1 1 122 122 MET CG C 13 32.046 0.039 . 1 . . . . 122 M CG . 17255 1 1373 . 1 1 122 122 MET CE C 13 16.893 0.000 . 1 . . . . 122 M CE . 17255 1 1374 . 1 1 122 122 MET N N 15 122.049 0.051 . 1 . . . . 122 M N . 17255 1 1375 . 1 1 123 123 LEU H H 1 8.121 0.006 . 1 . . . . 123 L HN . 17255 1 1376 . 1 1 123 123 LEU HA H 1 4.334 0.014 . 1 . . . . 123 L HA . 17255 1 1377 . 1 1 123 123 LEU HB2 H 1 1.570 0.004 . 2 . . . . 123 L QB . 17255 1 1378 . 1 1 123 123 LEU HB3 H 1 1.570 0.004 . 2 . . . . 123 L QB . 17255 1 1379 . 1 1 123 123 LEU HD11 H 1 0.787 0.003 . 1 . . . . 123 L QD1 . 17255 1 1380 . 1 1 123 123 LEU HD12 H 1 0.787 0.003 . 1 . . . . 123 L QD1 . 17255 1 1381 . 1 1 123 123 LEU HD13 H 1 0.787 0.003 . 1 . . . . 123 L QD1 . 17255 1 1382 . 1 1 123 123 LEU HD21 H 1 0.851 0.004 . 1 . . . . 123 L QD2 . 17255 1 1383 . 1 1 123 123 LEU HD22 H 1 0.851 0.004 . 1 . . . . 123 L QD2 . 17255 1 1384 . 1 1 123 123 LEU HD23 H 1 0.851 0.004 . 1 . . . . 123 L QD2 . 17255 1 1385 . 1 1 123 123 LEU CA C 13 55.269 0.108 . 1 . . . . 123 L CA . 17255 1 1386 . 1 1 123 123 LEU CB C 13 42.366 0.044 . 1 . . . . 123 L CB . 17255 1 1387 . 1 1 123 123 LEU CG C 13 26.891 0.014 . 1 . . . . 123 L CG . 17255 1 1388 . 1 1 123 123 LEU CD1 C 13 23.163 0.088 . 2 . . . . 123 L CD1 . 17255 1 1389 . 1 1 123 123 LEU CD2 C 13 25.049 0.125 . 2 . . . . 123 L CD2 . 17255 1 1390 . 1 1 123 123 LEU N N 15 123.282 0.089 . 1 . . . . 123 L N . 17255 1 1391 . 1 1 124 124 SER H H 1 7.793 0.004 . 1 . . . . 124 S HN . 17255 1 1392 . 1 1 124 124 SER HA H 1 4.178 0.008 . 1 . . . . 124 S HA . 17255 1 1393 . 1 1 124 124 SER HB2 H 1 3.758 0.002 . 2 . . . . 124 S QB . 17255 1 1394 . 1 1 124 124 SER HB3 H 1 3.758 0.002 . 2 . . . . 124 S QB . 17255 1 1395 . 1 1 124 124 SER CA C 13 59.892 0.020 . 1 . . . . 124 S CA . 17255 1 1396 . 1 1 124 124 SER CB C 13 64.881 0.022 . 1 . . . . 124 S CB . 17255 1 1397 . 1 1 124 124 SER N N 15 121.994 0.072 . 1 . . . . 124 S N . 17255 1 1398 . 2 2 1 1 LYS HA H 1 4.016 0.000 . 1 . . . . 161 LYS HA . 17255 1 1399 . 2 2 1 1 LYS HB2 H 1 1.794 0.014 . 1 . . . . 161 LYS QB . 17255 1 1400 . 2 2 1 1 LYS HB3 H 1 1.794 0.014 . 1 . . . . 161 LYS QB . 17255 1 1401 . 2 2 1 1 LYS HG2 H 1 1.381 0.014 . 1 . . . . 161 LYS QG . 17255 1 1402 . 2 2 1 1 LYS HG3 H 1 1.381 0.014 . 1 . . . . 161 LYS QG . 17255 1 1403 . 2 2 1 1 LYS HD2 H 1 1.641 0.013 . 1 . . . . 161 LYS QD . 17255 1 1404 . 2 2 1 1 LYS HD3 H 1 1.641 0.013 . 1 . . . . 161 LYS QD . 17255 1 1405 . 2 2 2 2 GLU HA H 1 4.266 0.009 . 1 . . . . 162 GLU HA . 17255 1 1406 . 2 2 2 2 GLU HB2 H 1 1.968 0.010 . 1 . . . . 162 GLU HB2 . 17255 1 1407 . 2 2 2 2 GLU HB3 H 1 1.843 0.001 . 1 . . . . 162 GLU HB3 . 17255 1 1408 . 2 2 2 2 GLU HG2 H 1 2.192 0.006 . 1 . . . . 162 GLU QG . 17255 1 1409 . 2 2 2 2 GLU HG3 H 1 2.192 0.006 . 1 . . . . 162 GLU QG . 17255 1 1410 . 2 2 3 3 ASN H H 1 8.620 0.002 . 1 . . . . 163 ASN HN . 17255 1 1411 . 2 2 3 3 ASN HA H 1 4.666 0.010 . 1 . . . . 163 ASN HA . 17255 1 1412 . 2 2 3 3 ASN HB2 H 1 2.791 0.006 . 1 . . . . 163 ASN HB2 . 17255 1 1413 . 2 2 3 3 ASN HB3 H 1 2.669 0.013 . 1 . . . . 163 ASN HB3 . 17255 1 1414 . 2 2 3 3 ASN HD21 H 1 7.560 0.005 . 1 . . . . 163 ASN HD21 . 17255 1 1415 . 2 2 3 3 ASN HD22 H 1 6.869 0.010 . 1 . . . . 163 ASN HD22 . 17255 1 1416 . 2 2 4 4 LEU H H 1 8.306 0.003 . 1 . . . . 164 LEU HN . 17255 1 1417 . 2 2 4 4 LEU HA H 1 4.262 0.005 . 1 . . . . 164 LEU HA . 17255 1 1418 . 2 2 4 4 LEU HB2 H 1 1.565 0.004 . 1 . . . . 164 LEU QB . 17255 1 1419 . 2 2 4 4 LEU HB3 H 1 1.565 0.004 . 1 . . . . 164 LEU QB . 17255 1 1420 . 2 2 4 4 LEU HG H 1 1.537 0.003 . 1 . . . . 164 LEU HG . 17255 1 1421 . 2 2 4 4 LEU HD11 H 1 0.791 0.009 . 1 . . . . 164 LEU QD1 . 17255 1 1422 . 2 2 4 4 LEU HD12 H 1 0.791 0.009 . 1 . . . . 164 LEU QD1 . 17255 1 1423 . 2 2 4 4 LEU HD13 H 1 0.791 0.009 . 1 . . . . 164 LEU QD1 . 17255 1 1424 . 2 2 4 4 LEU HD21 H 1 0.842 0.010 . 1 . . . . 164 LEU QD2 . 17255 1 1425 . 2 2 4 4 LEU HD22 H 1 0.842 0.010 . 1 . . . . 164 LEU QD2 . 17255 1 1426 . 2 2 4 4 LEU HD23 H 1 0.842 0.010 . 1 . . . . 164 LEU QD2 . 17255 1 1427 . 2 2 5 5 GLU H H 1 8.381 0.004 . 1 . . . . 165 GLU HN . 17255 1 1428 . 2 2 5 5 GLU HA H 1 4.196 0.000 . 1 . . . . 165 GLU HA . 17255 1 1429 . 2 2 5 5 GLU HB2 H 1 1.960 0.009 . 1 . . . . 165 GLU HB2 . 17255 1 1430 . 2 2 5 5 GLU HB3 H 1 1.838 0.000 . 1 . . . . 165 GLU HB3 . 17255 1 1431 . 2 2 5 5 GLU HG2 H 1 2.189 0.008 . 1 . . . . 165 GLU QG . 17255 1 1432 . 2 2 5 5 GLU HG3 H 1 2.189 0.008 . 1 . . . . 165 GLU QG . 17255 1 1433 . 2 2 6 6 SER H H 1 8.146 0.023 . 1 . . . . 166 SER HN . 17255 1 1434 . 2 2 6 6 SER HA H 1 4.351 0.014 . 1 . . . . 166 SER HA . 17255 1 1435 . 2 2 6 6 SER HB2 H 1 3.770 0.010 . 1 . . . . 166 SER QB . 17255 1 1436 . 2 2 6 6 SER HB3 H 1 3.770 0.010 . 1 . . . . 166 SER QB . 17255 1 1437 . 2 2 7 7 MET H H 1 8.318 0.001 . 1 . . . . 167 MET HN . 17255 1 1438 . 2 2 7 7 MET HA H 1 4.476 0.003 . 1 . . . . 167 MET HA . 17255 1 1439 . 2 2 7 7 MET HB2 H 1 2.050 0.014 . 1 . . . . 167 MET HB2 . 17255 1 1440 . 2 2 7 7 MET HB3 H 1 1.952 0.035 . 1 . . . . 167 MET HB3 . 17255 1 1441 . 2 2 7 7 MET HG2 H 1 2.525 0.000 . 1 . . . . 167 MET HG2 . 17255 1 1442 . 2 2 7 7 MET HG3 H 1 2.442 0.011 . 1 . . . . 167 MET HG3 . 17255 1 1443 . 2 2 7 7 MET HE1 H 1 2.152 0.010 . 1 . . . . 167 MET QE . 17255 1 1444 . 2 2 7 7 MET HE2 H 1 2.152 0.010 . 1 . . . . 167 MET QE . 17255 1 1445 . 2 2 7 7 MET HE3 H 1 2.152 0.010 . 1 . . . . 167 MET QE . 17255 1 1446 . 2 2 8 8 VAL H H 1 7.592 0.005 . 1 . . . . 168 VAL HN . 17255 1 1447 . 2 2 8 8 VAL HA H 1 3.979 0.007 . 1 . . . . 168 VAL HA . 17255 1 1448 . 2 2 8 8 VAL HB H 1 1.985 0.007 . 1 . . . . 168 VAL HB . 17255 1 1449 . 2 2 8 8 VAL HG11 H 1 0.790 0.007 . 1 . . . . 168 VAL QG1 . 17255 1 1450 . 2 2 8 8 VAL HG12 H 1 0.790 0.007 . 1 . . . . 168 VAL QG1 . 17255 1 1451 . 2 2 8 8 VAL HG13 H 1 0.790 0.007 . 1 . . . . 168 VAL QG1 . 17255 1 1452 . 2 2 8 8 VAL HG21 H 1 0.813 0.006 . 1 . . . . 168 VAL QG2 . 17255 1 1453 . 2 2 8 8 VAL HG22 H 1 0.813 0.006 . 1 . . . . 168 VAL QG2 . 17255 1 1454 . 2 2 8 8 VAL HG23 H 1 0.813 0.006 . 1 . . . . 168 VAL QG2 . 17255 1 stop_ save_