data_16882 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16882 _Entry.Title ; Solution Structure of the Ubiquitin-Binding Motif of Human Polymerase Iota ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-19 _Entry.Accession_date 2010-04-19 _Entry.Last_release_date 2010-06-15 _Entry.Original_release_date 2010-06-15 _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 'Solution Structure of the Ubiquitin-Binding Motif of Human Polymerase Iota' _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 Martha Bomar . G. . 16882 2 Sanjay D'Souza . . . 16882 3 Marzena Bienko . . . 16882 4 Ivan Dikic . . . 16882 5 Graham Walker . . . 16882 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' . 16882 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'polymerase iota' . 16882 TLS . 16882 'translesion synthesis' . 16882 'ubiquitin-binding domain' . 16882 UBM . 16882 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16882 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 435 16882 '15N chemical shifts' 103 16882 '1H chemical shifts' 694 16882 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-06-15 2010-04-19 original author . 16882 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KHU 'BMRB Entry Tracking System' 16882 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16882 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20159559 _Citation.Full_citation . _Citation.Title 'Unconventional ubiquitin recognition by the ubiquitin-binding motif within the Y family DNA polymerases iota and Rev1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full 'Molecular cell' _Citation.Journal_volume 37 _Citation.Journal_issue 3 _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 408 _Citation.Page_last 417 _Citation.Year 2010 _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 Martha Bomar . G. . 16882 1 2 Sanjay Bienko . . . 16882 1 3 Marzena Dikic . . . 16882 1 4 Ivan Walker . . . 16882 1 5 Graham Zhou . C. . 16882 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID TLS 16882 1 UBM 16882 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16882 _Assembly.ID 1 _Assembly.Name 'Ubiquitin-Binding Motif' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 UBM2 1 $UBM2 A . yes native no no . . . 16882 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UBM2 _Entity.Sf_category entity _Entity.Sf_framecode UBM2 _Entity.Entry_ID 16882 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ubiquitin-Binding Motif' _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 ; MQYKLILNGKTLKGETTTEA VDAATAEKVFKQYANDNGVD GEWTYDDATKTFTVTEGSDE KITFPSDIDPQVFYELPEAV QKELLAEWKRTGSDFHIGHK LEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-56 represent the GB1-tag. Residues 57-58, 101-108 are cloning artifacts (including the His6-tag)' _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Polymerase iota' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3753.299 _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 15156 . GB1 . . . . . 51.85 56 100.00 100.00 5.19e-30 . . . . 16882 1 2 no BMRB 15380 . GB1 . . . . . 51.85 56 100.00 100.00 5.19e-30 . . . . 16882 1 3 no BMRB 16444 . SC35 . . . . . 53.70 158 100.00 100.00 9.66e-31 . . . . 16882 1 4 no BMRB 16627 . Protein_GB1_(2Q6I) . . . . . 51.85 56 100.00 100.00 5.19e-30 . . . . 16882 1 5 no BMRB 16873 . GB1 . . . . . 51.85 56 100.00 100.00 5.19e-30 . . . . 16882 1 6 no BMRB 17810 . entity . . . . . 51.85 56 100.00 100.00 5.19e-30 . . . . 16882 1 7 no BMRB 18397 . GB1 . . . . . 51.85 56 100.00 100.00 5.19e-30 . . . . 16882 1 8 no BMRB 26630 . Protein_G_Domain_Beta-1_Wild_Type . . . . . 51.85 64 98.21 98.21 1.09e-28 . . . . 16882 1 9 no PDB 1GB1 . "A Novel, Highly Stable Fold Of The Immunoglobulin Binding Domain Of Streptococcal Protein G" . . . . . 51.85 56 98.21 98.21 4.92e-29 . . . . 16882 1 10 no PDB 1PGA . "Two Crystal Structures Of The B1 Immunoglobulin-Binding Domain Of Streptococcal Protein G And Comparison With Nmr" . . . . . 51.85 56 98.21 98.21 4.92e-29 . . . . 16882 1 11 no PDB 1PGB . "Two Crystal Structures Of The B1 Immunoglobulin-Binding Domain Of Streptoccocal Protein G And Comparison With Nmr" . . . . . 51.85 56 98.21 98.21 4.92e-29 . . . . 16882 1 12 no PDB 1PN5 . "Nmr Structure Of The Nalp1 Pyrin Domain (Pyd)" . . . . . 53.70 159 100.00 100.00 7.19e-31 . . . . 16882 1 13 no PDB 2CWB . "Solution Structure Of The Ubiquitin-Associated Domain Of Human Bmsc-Ubp And Its Complex With Ubiquitin" . . . . . 52.78 108 98.25 98.25 3.53e-29 . . . . 16882 1 14 no PDB 2DEN . "Solution Structure Of The Ubiquitin-Associated Domain Of Human Bmsc-Ubp And Its Complex With Ubiquitin" . . . . . 52.78 108 98.25 98.25 3.53e-29 . . . . 16882 1 15 no PDB 2GB1 . "A Novel, Highly Stable Fold Of The Immunoglobulin Binding Domain Of Streptococcal Protein G" . . . . . 51.85 56 98.21 98.21 4.92e-29 . . . . 16882 1 16 no PDB 2GI9 . "Backbone Conformational Constraints In A Microcrystalline U- 15n-Labeled Protein By 3d Dipolar-Shift Solid-State Nmr Spectrosco" . . . . . 51.85 56 100.00 100.00 5.19e-30 . . . . 16882 1 17 no PDB 2I2Y . "Solution Structure Of The Rrm Of Srp20 Bound To The Rna Cauc" . . . . . 53.70 150 100.00 100.00 1.45e-30 . . . . 16882 1 18 no PDB 2I38 . "Solution Structure Of The Rrm Of Srp20" . . . . . 53.70 150 100.00 100.00 1.33e-30 . . . . 16882 1 19 no PDB 2JSV . "Dipole Tensor-Based Refinement For Atomic-Resolution Structure Determination Of A Nanocrystalline Protein By Solid-State Nmr Sp" . . . . . 51.85 56 100.00 100.00 5.19e-30 . . . . 16882 1 20 no PDB 2JU6 . "Solid-State Protein Structure Determination With Proton- Detected Triple Resonance 3d Magic-Angle Spinning Nmr Spectroscopy" . . . . . 51.85 56 100.00 100.00 5.19e-30 . . . . 16882 1 21 no PDB 2K0P . "Determination Of A Protein Structure In The Solid State From Nmr Chemical Shifts" . . . . . 51.85 56 100.00 100.00 5.19e-30 . . . . 16882 1 22 no PDB 2KBT . "Attachment Of An Nmr-Invisible Solubility Enhancement Tag (Inset) Using A Sortase-Mediated Protein Ligation Method" . . . . . 51.85 142 98.21 98.21 4.44e-28 . . . . 16882 1 23 no PDB 2KHU . "Solution Structure Of The Ubiquitin-Binding Motif Of Human Polymerase Iota" . . . . . 100.00 108 100.00 100.00 3.22e-72 . . . . 16882 1 24 no PDB 2KHW . "Solution Structure Of The Human Polymerase Iota Ubm2- Ubiquitin Complex" . . . . . 100.00 108 100.00 100.00 3.22e-72 . . . . 16882 1 25 no PDB 2KLK . "Solution Structure Of Gb1 A34f Mutant With Rdc And Saxs" . . . . . 51.85 56 98.21 98.21 6.31e-29 . . . . 16882 1 26 no PDB 2KN4 . "The Structure Of The Rrm Domain Of Sc35" . . . . . 53.70 158 100.00 100.00 9.66e-31 . . . . 16882 1 27 no PDB 2KQ4 . "Atomic Resolution Protein Structure Determination By Three- Dimensional Transferred Echo Double Resonance Solid-State Nuclear M" . . . . . 51.85 56 100.00 100.00 5.19e-30 . . . . 16882 1 28 no PDB 2KWD . "Supramolecular Protein Structure Determination By Site-Speci Range Intermolecular Solid State Nmr Spectroscopy" . . . . . 51.85 56 100.00 100.00 5.19e-30 . . . . 16882 1 29 no PDB 2LGI . "Atomic Resolution Protein Structures Using Nmr Chemical Shift Tensors" . . . . . 51.85 56 100.00 100.00 5.19e-30 . . . . 16882 1 30 no PDB 2QMT . "Crystal Polymorphism Of Protein Gb1 Examined By Solid-State Nmr And X-Ray Diffraction" . . . . . 51.85 56 100.00 100.00 5.19e-30 . . . . 16882 1 31 no PDB 2RMM . "Solution Structure Of Gb1 A34f Mutant" . . . . . 51.85 56 98.21 98.21 6.31e-29 . . . . 16882 1 32 no PDB 3GB1 . "Structures Of B1 Domain Of Streptococcal Protein G" . . . . . 51.85 56 98.21 98.21 4.92e-29 . . . . 16882 1 33 no PDB 3MP9 . "Structure Of Streptococcal Protein G B1 Domain At Ph 3.0" . . . . . 50.00 64 100.00 100.00 8.39e-28 . . . . 16882 1 34 no PDB 4Q0C . "3.1 A Resolution Crystal Structure Of The B. Pertussis Bvgs Periplasmic Domain" . . . . . 51.85 584 98.21 98.21 4.82e-27 . . . . 16882 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 . 16882 1 2 . GLN . 16882 1 3 . TYR . 16882 1 4 . LYS . 16882 1 5 . LEU . 16882 1 6 . ILE . 16882 1 7 . LEU . 16882 1 8 . ASN . 16882 1 9 . GLY . 16882 1 10 . LYS . 16882 1 11 . THR . 16882 1 12 . LEU . 16882 1 13 . LYS . 16882 1 14 . GLY . 16882 1 15 . GLU . 16882 1 16 . THR . 16882 1 17 . THR . 16882 1 18 . THR . 16882 1 19 . GLU . 16882 1 20 . ALA . 16882 1 21 . VAL . 16882 1 22 . ASP . 16882 1 23 . ALA . 16882 1 24 . ALA . 16882 1 25 . THR . 16882 1 26 . ALA . 16882 1 27 . GLU . 16882 1 28 . LYS . 16882 1 29 . VAL . 16882 1 30 . PHE . 16882 1 31 . LYS . 16882 1 32 . GLN . 16882 1 33 . TYR . 16882 1 34 . ALA . 16882 1 35 . ASN . 16882 1 36 . ASP . 16882 1 37 . ASN . 16882 1 38 . GLY . 16882 1 39 . VAL . 16882 1 40 . ASP . 16882 1 41 . GLY . 16882 1 42 . GLU . 16882 1 43 . TRP . 16882 1 44 . THR . 16882 1 45 . TYR . 16882 1 46 . ASP . 16882 1 47 . ASP . 16882 1 48 . ALA . 16882 1 49 . THR . 16882 1 50 . LYS . 16882 1 51 . THR . 16882 1 52 . PHE . 16882 1 53 . THR . 16882 1 54 . VAL . 16882 1 55 . THR . 16882 1 56 . GLU . 16882 1 57 . GLY . 16882 1 58 . SER . 16882 1 59 . ASP . 16882 1 60 . GLU . 16882 1 61 . LYS . 16882 1 62 . ILE . 16882 1 63 . THR . 16882 1 64 . PHE . 16882 1 65 . PRO . 16882 1 66 . SER . 16882 1 67 . ASP . 16882 1 68 . ILE . 16882 1 69 . ASP . 16882 1 70 . PRO . 16882 1 71 . GLN . 16882 1 72 . VAL . 16882 1 73 . PHE . 16882 1 74 . TYR . 16882 1 75 . GLU . 16882 1 76 . LEU . 16882 1 77 . PRO . 16882 1 78 . GLU . 16882 1 79 . ALA . 16882 1 80 . VAL . 16882 1 81 . GLN . 16882 1 82 . LYS . 16882 1 83 . GLU . 16882 1 84 . LEU . 16882 1 85 . LEU . 16882 1 86 . ALA . 16882 1 87 . GLU . 16882 1 88 . TRP . 16882 1 89 . LYS . 16882 1 90 . ARG . 16882 1 91 . THR . 16882 1 92 . GLY . 16882 1 93 . SER . 16882 1 94 . ASP . 16882 1 95 . PHE . 16882 1 96 . HIS . 16882 1 97 . ILE . 16882 1 98 . GLY . 16882 1 99 . HIS . 16882 1 100 . LYS . 16882 1 101 . LEU . 16882 1 102 . GLU . 16882 1 103 . HIS . 16882 1 104 . HIS . 16882 1 105 . HIS . 16882 1 106 . HIS . 16882 1 107 . HIS . 16882 1 108 . HIS . 16882 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 16882 1 . GLN 2 2 16882 1 . TYR 3 3 16882 1 . LYS 4 4 16882 1 . LEU 5 5 16882 1 . ILE 6 6 16882 1 . LEU 7 7 16882 1 . ASN 8 8 16882 1 . GLY 9 9 16882 1 . LYS 10 10 16882 1 . THR 11 11 16882 1 . LEU 12 12 16882 1 . LYS 13 13 16882 1 . GLY 14 14 16882 1 . GLU 15 15 16882 1 . THR 16 16 16882 1 . THR 17 17 16882 1 . THR 18 18 16882 1 . GLU 19 19 16882 1 . ALA 20 20 16882 1 . VAL 21 21 16882 1 . ASP 22 22 16882 1 . ALA 23 23 16882 1 . ALA 24 24 16882 1 . THR 25 25 16882 1 . ALA 26 26 16882 1 . GLU 27 27 16882 1 . LYS 28 28 16882 1 . VAL 29 29 16882 1 . PHE 30 30 16882 1 . LYS 31 31 16882 1 . GLN 32 32 16882 1 . TYR 33 33 16882 1 . ALA 34 34 16882 1 . ASN 35 35 16882 1 . ASP 36 36 16882 1 . ASN 37 37 16882 1 . GLY 38 38 16882 1 . VAL 39 39 16882 1 . ASP 40 40 16882 1 . GLY 41 41 16882 1 . GLU 42 42 16882 1 . TRP 43 43 16882 1 . THR 44 44 16882 1 . TYR 45 45 16882 1 . ASP 46 46 16882 1 . ASP 47 47 16882 1 . ALA 48 48 16882 1 . THR 49 49 16882 1 . LYS 50 50 16882 1 . THR 51 51 16882 1 . PHE 52 52 16882 1 . THR 53 53 16882 1 . VAL 54 54 16882 1 . THR 55 55 16882 1 . GLU 56 56 16882 1 . GLY 57 57 16882 1 . SER 58 58 16882 1 . ASP 59 59 16882 1 . GLU 60 60 16882 1 . LYS 61 61 16882 1 . ILE 62 62 16882 1 . THR 63 63 16882 1 . PHE 64 64 16882 1 . PRO 65 65 16882 1 . SER 66 66 16882 1 . ASP 67 67 16882 1 . ILE 68 68 16882 1 . ASP 69 69 16882 1 . PRO 70 70 16882 1 . GLN 71 71 16882 1 . VAL 72 72 16882 1 . PHE 73 73 16882 1 . TYR 74 74 16882 1 . GLU 75 75 16882 1 . LEU 76 76 16882 1 . PRO 77 77 16882 1 . GLU 78 78 16882 1 . ALA 79 79 16882 1 . VAL 80 80 16882 1 . GLN 81 81 16882 1 . LYS 82 82 16882 1 . GLU 83 83 16882 1 . LEU 84 84 16882 1 . LEU 85 85 16882 1 . ALA 86 86 16882 1 . GLU 87 87 16882 1 . TRP 88 88 16882 1 . LYS 89 89 16882 1 . ARG 90 90 16882 1 . THR 91 91 16882 1 . GLY 92 92 16882 1 . SER 93 93 16882 1 . ASP 94 94 16882 1 . PHE 95 95 16882 1 . HIS 96 96 16882 1 . ILE 97 97 16882 1 . GLY 98 98 16882 1 . HIS 99 99 16882 1 . LYS 100 100 16882 1 . LEU 101 101 16882 1 . GLU 102 102 16882 1 . HIS 103 103 16882 1 . HIS 104 104 16882 1 . HIS 105 105 16882 1 . HIS 106 106 16882 1 . HIS 107 107 16882 1 . HIS 108 108 16882 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16882 _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 $UBM2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16882 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 16882 _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 $UBM2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET30-GB1-fusion . . . . . . 16882 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16882 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 UBM2 '[U-100% 13C; U-100% 15N]' . . 1 $UBM2 . . . 1 4 mM . . . . 16882 1 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16882 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 16882 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 16882 1 pH 7 . pH 16882 1 pressure 1 . atm 16882 1 temperature 298 . K 16882 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16882 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.19 _Software.Details N/A loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16882 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16882 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 16882 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16882 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16882 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 16882 1 2 spectrometer_2 Varian INOVA . 600 . . . 16882 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 16882 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16882 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16882 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16882 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16882 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16882 1 6 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16882 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16882 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16882 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 16882 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16882 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16882 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16882 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16882 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HCCH-TOCSY' . . . 16882 1 2 '3D HNCA' . . . 16882 1 3 '3D HNCACB' . . . 16882 1 4 '3D HN(CO)CA' . . . 16882 1 5 '3D HNCO' . . . 16882 1 6 '3D HN(COCA)CB' . . . 16882 1 7 '3D 1H-15N NOESY' . . . 16882 1 8 '3D 1H-13C NOESY' . . . 16882 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 HA H 1 4.196 0.020 . 1 . . . . 1 MET HA . 16882 1 2 . 1 1 1 1 MET C C 13 171.003 0.400 . 1 . . . . 1 MET C . 16882 1 3 . 1 1 1 1 MET CA C 13 54.568 0.400 . 1 . . . . 1 MET CA . 16882 1 4 . 1 1 2 2 GLN H H 1 8.377 0.020 . 1 . . . . 2 GLN H . 16882 1 5 . 1 1 2 2 GLN HA H 1 4.982 0.020 . 1 . . . . 2 GLN HA . 16882 1 6 . 1 1 2 2 GLN HB2 H 1 2.027 0.020 . 1 . . . . 2 GLN HB2 . 16882 1 7 . 1 1 2 2 GLN HB3 H 1 2.027 0.020 . 1 . . . . 2 GLN HB3 . 16882 1 8 . 1 1 2 2 GLN HG2 H 1 2.146 0.020 . 2 . . . . 2 GLN HG2 . 16882 1 9 . 1 1 2 2 GLN HG3 H 1 2.383 0.020 . 2 . . . . 2 GLN HG3 . 16882 1 10 . 1 1 2 2 GLN C C 13 174.899 0.400 . 1 . . . . 2 GLN C . 16882 1 11 . 1 1 2 2 GLN CA C 13 55.839 0.400 . 1 . . . . 2 GLN CA . 16882 1 12 . 1 1 2 2 GLN CB C 13 30.477 0.400 . 1 . . . . 2 GLN CB . 16882 1 13 . 1 1 2 2 GLN CG C 13 35.092 0.400 . 1 . . . . 2 GLN CG . 16882 1 14 . 1 1 2 2 GLN N N 15 123.519 0.400 . 1 . . . . 2 GLN N . 16882 1 15 . 1 1 3 3 TYR H H 1 9.116 0.020 . 1 . . . . 3 TYR H . 16882 1 16 . 1 1 3 3 TYR HA H 1 5.370 0.020 . 1 . . . . 3 TYR HA . 16882 1 17 . 1 1 3 3 TYR HB2 H 1 2.753 0.020 . 2 . . . . 3 TYR HB2 . 16882 1 18 . 1 1 3 3 TYR HB3 H 1 3.421 0.020 . 2 . . . . 3 TYR HB3 . 16882 1 19 . 1 1 3 3 TYR HD1 H 1 7.157 0.020 . 1 . . . . 3 TYR HD1 . 16882 1 20 . 1 1 3 3 TYR HD2 H 1 7.157 0.020 . 1 . . . . 3 TYR HD2 . 16882 1 21 . 1 1 3 3 TYR HE1 H 1 6.937 0.020 . 1 . . . . 3 TYR HE1 . 16882 1 22 . 1 1 3 3 TYR HE2 H 1 6.937 0.020 . 1 . . . . 3 TYR HE2 . 16882 1 23 . 1 1 3 3 TYR C C 13 174.814 0.400 . 1 . . . . 3 TYR C . 16882 1 24 . 1 1 3 3 TYR CA C 13 57.122 0.400 . 1 . . . . 3 TYR CA . 16882 1 25 . 1 1 3 3 TYR CB C 13 43.393 0.400 . 1 . . . . 3 TYR CB . 16882 1 26 . 1 1 3 3 TYR CD1 C 13 133.407 0.400 . 1 . . . . 3 TYR CD1 . 16882 1 27 . 1 1 3 3 TYR CE1 C 13 117.754 0.400 . 1 . . . . 3 TYR CE1 . 16882 1 28 . 1 1 3 3 TYR N N 15 124.683 0.400 . 1 . . . . 3 TYR N . 16882 1 29 . 1 1 4 4 LYS H H 1 9.111 0.020 . 1 . . . . 4 LYS H . 16882 1 30 . 1 1 4 4 LYS HA H 1 5.236 0.020 . 1 . . . . 4 LYS HA . 16882 1 31 . 1 1 4 4 LYS HB2 H 1 1.905 0.020 . 2 . . . . 4 LYS HB2 . 16882 1 32 . 1 1 4 4 LYS HB3 H 1 2.044 0.020 . 2 . . . . 4 LYS HB3 . 16882 1 33 . 1 1 4 4 LYS HD2 H 1 1.642 0.020 . 1 . . . . 4 LYS HD2 . 16882 1 34 . 1 1 4 4 LYS HD3 H 1 1.642 0.020 . 1 . . . . 4 LYS HD3 . 16882 1 35 . 1 1 4 4 LYS HE2 H 1 2.787 0.020 . 2 . . . . 4 LYS HE2 . 16882 1 36 . 1 1 4 4 LYS HE3 H 1 2.870 0.020 . 2 . . . . 4 LYS HE3 . 16882 1 37 . 1 1 4 4 LYS HG2 H 1 1.368 0.020 . 2 . . . . 4 LYS HG2 . 16882 1 38 . 1 1 4 4 LYS HG3 H 1 1.491 0.020 . 2 . . . . 4 LYS HG3 . 16882 1 39 . 1 1 4 4 LYS C C 13 172.831 0.400 . 1 . . . . 4 LYS C . 16882 1 40 . 1 1 4 4 LYS CA C 13 55.058 0.400 . 1 . . . . 4 LYS CA . 16882 1 41 . 1 1 4 4 LYS CB C 13 35.897 0.400 . 1 . . . . 4 LYS CB . 16882 1 42 . 1 1 4 4 LYS CD C 13 28.923 0.400 . 1 . . . . 4 LYS CD . 16882 1 43 . 1 1 4 4 LYS CE C 13 41.875 0.400 . 1 . . . . 4 LYS CE . 16882 1 44 . 1 1 4 4 LYS CG C 13 25.556 0.400 . 1 . . . . 4 LYS CG . 16882 1 45 . 1 1 4 4 LYS N N 15 122.340 0.400 . 1 . . . . 4 LYS N . 16882 1 46 . 1 1 5 5 LEU H H 1 8.627 0.020 . 1 . . . . 5 LEU H . 16882 1 47 . 1 1 5 5 LEU HA H 1 4.962 0.020 . 1 . . . . 5 LEU HA . 16882 1 48 . 1 1 5 5 LEU HB2 H 1 0.745 0.020 . 2 . . . . 5 LEU HB2 . 16882 1 49 . 1 1 5 5 LEU HB3 H 1 -1.115 0.020 . 2 . . . . 5 LEU HB3 . 16882 1 50 . 1 1 5 5 LEU HD11 H 1 0.561 0.020 . 2 . . . . 5 LEU HD11 . 16882 1 51 . 1 1 5 5 LEU HD12 H 1 0.561 0.020 . 2 . . . . 5 LEU HD12 . 16882 1 52 . 1 1 5 5 LEU HD13 H 1 0.561 0.020 . 2 . . . . 5 LEU HD13 . 16882 1 53 . 1 1 5 5 LEU HD21 H 1 0.593 0.020 . 2 . . . . 5 LEU HD21 . 16882 1 54 . 1 1 5 5 LEU HD22 H 1 0.593 0.020 . 2 . . . . 5 LEU HD22 . 16882 1 55 . 1 1 5 5 LEU HD23 H 1 0.593 0.020 . 2 . . . . 5 LEU HD23 . 16882 1 56 . 1 1 5 5 LEU HG H 1 0.887 0.020 . 1 . . . . 5 LEU HG . 16882 1 57 . 1 1 5 5 LEU C C 13 174.630 0.400 . 1 . . . . 5 LEU C . 16882 1 58 . 1 1 5 5 LEU CA C 13 52.452 0.400 . 1 . . . . 5 LEU CA . 16882 1 59 . 1 1 5 5 LEU CB C 13 42.640 0.400 . 1 . . . . 5 LEU CB . 16882 1 60 . 1 1 5 5 LEU CD1 C 13 24.472 0.400 . 1 . . . . 5 LEU CD1 . 16882 1 61 . 1 1 5 5 LEU CD2 C 13 25.722 0.400 . 1 . . . . 5 LEU CD2 . 16882 1 62 . 1 1 5 5 LEU CG C 13 27.019 0.400 . 1 . . . . 5 LEU CG . 16882 1 63 . 1 1 5 5 LEU N N 15 126.380 0.400 . 1 . . . . 5 LEU N . 16882 1 64 . 1 1 6 6 ILE H H 1 9.098 0.020 . 1 . . . . 6 ILE H . 16882 1 65 . 1 1 6 6 ILE HA H 1 4.333 0.020 . 1 . . . . 6 ILE HA . 16882 1 66 . 1 1 6 6 ILE HB H 1 1.960 0.020 . 1 . . . . 6 ILE HB . 16882 1 67 . 1 1 6 6 ILE HD11 H 1 0.795 0.020 . 1 . . . . 6 ILE HD11 . 16882 1 68 . 1 1 6 6 ILE HD12 H 1 0.795 0.020 . 1 . . . . 6 ILE HD12 . 16882 1 69 . 1 1 6 6 ILE HD13 H 1 0.795 0.020 . 1 . . . . 6 ILE HD13 . 16882 1 70 . 1 1 6 6 ILE HG12 H 1 1.110 0.020 . 2 . . . . 6 ILE HG12 . 16882 1 71 . 1 1 6 6 ILE HG13 H 1 1.426 0.020 . 2 . . . . 6 ILE HG13 . 16882 1 72 . 1 1 6 6 ILE HG21 H 1 0.809 0.020 . 1 . . . . 6 ILE HG21 . 16882 1 73 . 1 1 6 6 ILE HG22 H 1 0.809 0.020 . 1 . . . . 6 ILE HG22 . 16882 1 74 . 1 1 6 6 ILE HG23 H 1 0.809 0.020 . 1 . . . . 6 ILE HG23 . 16882 1 75 . 1 1 6 6 ILE C C 13 174.701 0.400 . 1 . . . . 6 ILE C . 16882 1 76 . 1 1 6 6 ILE CA C 13 60.234 0.400 . 1 . . . . 6 ILE CA . 16882 1 77 . 1 1 6 6 ILE CB C 13 37.965 0.400 . 1 . . . . 6 ILE CB . 16882 1 78 . 1 1 6 6 ILE CD1 C 13 12.500 0.400 . 1 . . . . 6 ILE CD1 . 16882 1 79 . 1 1 6 6 ILE CG1 C 13 27.369 0.400 . 1 . . . . 6 ILE CG1 . 16882 1 80 . 1 1 6 6 ILE CG2 C 13 16.976 0.400 . 1 . . . . 6 ILE CG2 . 16882 1 81 . 1 1 6 6 ILE N N 15 126.147 0.400 . 1 . . . . 6 ILE N . 16882 1 82 . 1 1 7 7 LEU H H 1 8.721 0.020 . 1 . . . . 7 LEU H . 16882 1 83 . 1 1 7 7 LEU HA H 1 4.483 0.020 . 1 . . . . 7 LEU HA . 16882 1 84 . 1 1 7 7 LEU HB2 H 1 1.373 0.020 . 2 . . . . 7 LEU HB2 . 16882 1 85 . 1 1 7 7 LEU HB3 H 1 1.426 0.020 . 2 . . . . 7 LEU HB3 . 16882 1 86 . 1 1 7 7 LEU HD11 H 1 0.782 0.020 . 1 . . . . 7 LEU HD11 . 16882 1 87 . 1 1 7 7 LEU HD12 H 1 0.782 0.020 . 1 . . . . 7 LEU HD12 . 16882 1 88 . 1 1 7 7 LEU HD13 H 1 0.782 0.020 . 1 . . . . 7 LEU HD13 . 16882 1 89 . 1 1 7 7 LEU HD21 H 1 0.782 0.020 . 1 . . . . 7 LEU HD21 . 16882 1 90 . 1 1 7 7 LEU HD22 H 1 0.782 0.020 . 1 . . . . 7 LEU HD22 . 16882 1 91 . 1 1 7 7 LEU HD23 H 1 0.782 0.020 . 1 . . . . 7 LEU HD23 . 16882 1 92 . 1 1 7 7 LEU HG H 1 1.292 0.020 . 1 . . . . 7 LEU HG . 16882 1 93 . 1 1 7 7 LEU C C 13 174.906 0.400 . 1 . . . . 7 LEU C . 16882 1 94 . 1 1 7 7 LEU CA C 13 54.288 0.400 . 1 . . . . 7 LEU CA . 16882 1 95 . 1 1 7 7 LEU CB C 13 42.134 0.400 . 1 . . . . 7 LEU CB . 16882 1 96 . 1 1 7 7 LEU CD1 C 13 25.801 0.400 . 1 . . . . 7 LEU CD1 . 16882 1 97 . 1 1 7 7 LEU CG C 13 27.585 0.400 . 1 . . . . 7 LEU CG . 16882 1 98 . 1 1 7 7 LEU N N 15 125.662 0.400 . 1 . . . . 7 LEU N . 16882 1 99 . 1 1 8 8 ASN H H 1 8.860 0.020 . 1 . . . . 8 ASN H . 16882 1 100 . 1 1 8 8 ASN HA H 1 5.250 0.020 . 1 . . . . 8 ASN HA . 16882 1 101 . 1 1 8 8 ASN HB2 H 1 2.534 0.020 . 2 . . . . 8 ASN HB2 . 16882 1 102 . 1 1 8 8 ASN HB3 H 1 2.984 0.020 . 2 . . . . 8 ASN HB3 . 16882 1 103 . 1 1 8 8 ASN C C 13 175.466 0.400 . 1 . . . . 8 ASN C . 16882 1 104 . 1 1 8 8 ASN CA C 13 50.897 0.400 . 1 . . . . 8 ASN CA . 16882 1 105 . 1 1 8 8 ASN CB C 13 37.948 0.400 . 1 . . . . 8 ASN CB . 16882 1 106 . 1 1 8 8 ASN N N 15 125.662 0.400 . 1 . . . . 8 ASN N . 16882 1 107 . 1 1 9 9 GLY H H 1 7.959 0.020 . 1 . . . . 9 GLY H . 16882 1 108 . 1 1 9 9 GLY HA2 H 1 4.459 0.020 . 2 . . . . 9 GLY HA2 . 16882 1 109 . 1 1 9 9 GLY HA3 H 1 4.042 0.020 . 2 . . . . 9 GLY HA3 . 16882 1 110 . 1 1 9 9 GLY C C 13 173.390 0.400 . 1 . . . . 9 GLY C . 16882 1 111 . 1 1 9 9 GLY CA C 13 44.673 0.400 . 1 . . . . 9 GLY CA . 16882 1 112 . 1 1 9 9 GLY N N 15 109.936 0.400 . 1 . . . . 9 GLY N . 16882 1 113 . 1 1 10 10 LYS H H 1 9.330 0.020 . 1 . . . . 10 LYS H . 16882 1 114 . 1 1 10 10 LYS HA H 1 4.062 0.020 . 1 . . . . 10 LYS HA . 16882 1 115 . 1 1 10 10 LYS HB2 H 1 1.823 0.020 . 1 . . . . 10 LYS HB2 . 16882 1 116 . 1 1 10 10 LYS HB3 H 1 1.823 0.020 . 1 . . . . 10 LYS HB3 . 16882 1 117 . 1 1 10 10 LYS HD2 H 1 1.722 0.020 . 1 . . . . 10 LYS HD2 . 16882 1 118 . 1 1 10 10 LYS HD3 H 1 1.722 0.020 . 1 . . . . 10 LYS HD3 . 16882 1 119 . 1 1 10 10 LYS HE2 H 1 2.978 0.020 . 1 . . . . 10 LYS HE2 . 16882 1 120 . 1 1 10 10 LYS HE3 H 1 2.978 0.020 . 1 . . . . 10 LYS HE3 . 16882 1 121 . 1 1 10 10 LYS HG2 H 1 1.471 0.020 . 1 . . . . 10 LYS HG2 . 16882 1 122 . 1 1 10 10 LYS HG3 H 1 1.471 0.020 . 1 . . . . 10 LYS HG3 . 16882 1 123 . 1 1 10 10 LYS C C 13 178.775 0.400 . 1 . . . . 10 LYS C . 16882 1 124 . 1 1 10 10 LYS CA C 13 59.230 0.400 . 1 . . . . 10 LYS CA . 16882 1 125 . 1 1 10 10 LYS CB C 13 32.291 0.400 . 1 . . . . 10 LYS CB . 16882 1 126 . 1 1 10 10 LYS CD C 13 29.182 0.400 . 1 . . . . 10 LYS CD . 16882 1 127 . 1 1 10 10 LYS CE C 13 41.875 0.400 . 1 . . . . 10 LYS CE . 16882 1 128 . 1 1 10 10 LYS CG C 13 25.297 0.400 . 1 . . . . 10 LYS CG . 16882 1 129 . 1 1 10 10 LYS N N 15 121.386 0.400 . 1 . . . . 10 LYS N . 16882 1 130 . 1 1 11 11 THR H H 1 8.832 0.020 . 1 . . . . 11 THR H . 16882 1 131 . 1 1 11 11 THR HA H 1 4.393 0.020 . 1 . . . . 11 THR HA . 16882 1 132 . 1 1 11 11 THR HB H 1 4.233 0.020 . 1 . . . . 11 THR HB . 16882 1 133 . 1 1 11 11 THR HG21 H 1 1.152 0.020 . 1 . . . . 11 THR HG21 . 16882 1 134 . 1 1 11 11 THR HG22 H 1 1.152 0.020 . 1 . . . . 11 THR HG22 . 16882 1 135 . 1 1 11 11 THR HG23 H 1 1.152 0.020 . 1 . . . . 11 THR HG23 . 16882 1 136 . 1 1 11 11 THR C C 13 173.858 0.400 . 1 . . . . 11 THR C . 16882 1 137 . 1 1 11 11 THR CA C 13 61.700 0.400 . 1 . . . . 11 THR CA . 16882 1 138 . 1 1 11 11 THR CB C 13 69.592 0.400 . 1 . . . . 11 THR CB . 16882 1 139 . 1 1 11 11 THR CG2 C 13 21.905 0.400 . 1 . . . . 11 THR CG2 . 16882 1 140 . 1 1 11 11 THR N N 15 108.541 0.400 . 1 . . . . 11 THR N . 16882 1 141 . 1 1 12 12 LEU H H 1 7.331 0.020 . 1 . . . . 12 LEU H . 16882 1 142 . 1 1 12 12 LEU HA H 1 4.452 0.020 . 1 . . . . 12 LEU HA . 16882 1 143 . 1 1 12 12 LEU HB2 H 1 1.423 0.020 . 2 . . . . 12 LEU HB2 . 16882 1 144 . 1 1 12 12 LEU HB3 H 1 1.529 0.020 . 2 . . . . 12 LEU HB3 . 16882 1 145 . 1 1 12 12 LEU HD11 H 1 0.904 0.020 . 2 . . . . 12 LEU HD11 . 16882 1 146 . 1 1 12 12 LEU HD12 H 1 0.904 0.020 . 2 . . . . 12 LEU HD12 . 16882 1 147 . 1 1 12 12 LEU HD13 H 1 0.904 0.020 . 2 . . . . 12 LEU HD13 . 16882 1 148 . 1 1 12 12 LEU HD21 H 1 0.814 0.020 . 2 . . . . 12 LEU HD21 . 16882 1 149 . 1 1 12 12 LEU HD22 H 1 0.814 0.020 . 2 . . . . 12 LEU HD22 . 16882 1 150 . 1 1 12 12 LEU HD23 H 1 0.814 0.020 . 2 . . . . 12 LEU HD23 . 16882 1 151 . 1 1 12 12 LEU HG H 1 1.425 0.020 . 1 . . . . 12 LEU HG . 16882 1 152 . 1 1 12 12 LEU C C 13 173.369 0.400 . 1 . . . . 12 LEU C . 16882 1 153 . 1 1 12 12 LEU CA C 13 55.086 0.400 . 1 . . . . 12 LEU CA . 16882 1 154 . 1 1 12 12 LEU CB C 13 43.429 0.400 . 1 . . . . 12 LEU CB . 16882 1 155 . 1 1 12 12 LEU CD1 C 13 24.261 0.400 . 1 . . . . 12 LEU CD1 . 16882 1 156 . 1 1 12 12 LEU CD2 C 13 25.556 0.400 . 1 . . . . 12 LEU CD2 . 16882 1 157 . 1 1 12 12 LEU CG C 13 27.628 0.400 . 1 . . . . 12 LEU CG . 16882 1 158 . 1 1 12 12 LEU N N 15 125.183 0.400 . 1 . . . . 12 LEU N . 16882 1 159 . 1 1 13 13 LYS H H 1 8.131 0.020 . 1 . . . . 13 LYS H . 16882 1 160 . 1 1 13 13 LYS HA H 1 5.142 0.020 . 1 . . . . 13 LYS HA . 16882 1 161 . 1 1 13 13 LYS HB2 H 1 1.750 0.020 . 2 . . . . 13 LYS HB2 . 16882 1 162 . 1 1 13 13 LYS HB3 H 1 1.916 0.020 . 2 . . . . 13 LYS HB3 . 16882 1 163 . 1 1 13 13 LYS HD2 H 1 1.690 0.020 . 2 . . . . 13 LYS HD2 . 16882 1 164 . 1 1 13 13 LYS HD3 H 1 1.774 0.020 . 2 . . . . 13 LYS HD3 . 16882 1 165 . 1 1 13 13 LYS HE2 H 1 2.933 0.020 . 2 . . . . 13 LYS HE2 . 16882 1 166 . 1 1 13 13 LYS HE3 H 1 3.020 0.020 . 2 . . . . 13 LYS HE3 . 16882 1 167 . 1 1 13 13 LYS HG2 H 1 1.472 0.020 . 1 . . . . 13 LYS HG2 . 16882 1 168 . 1 1 13 13 LYS HG3 H 1 1.472 0.020 . 1 . . . . 13 LYS HG3 . 16882 1 169 . 1 1 13 13 LYS C C 13 176.387 0.400 . 1 . . . . 13 LYS C . 16882 1 170 . 1 1 13 13 LYS CA C 13 53.791 0.400 . 1 . . . . 13 LYS CA . 16882 1 171 . 1 1 13 13 LYS CB C 13 34.857 0.400 . 1 . . . . 13 LYS CB . 16882 1 172 . 1 1 13 13 LYS CD C 13 29.158 0.400 . 1 . . . . 13 LYS CD . 16882 1 173 . 1 1 13 13 LYS CE C 13 42.393 0.400 . 1 . . . . 13 LYS CE . 16882 1 174 . 1 1 13 13 LYS CG C 13 25.273 0.400 . 1 . . . . 13 LYS CG . 16882 1 175 . 1 1 13 13 LYS N N 15 123.936 0.400 . 1 . . . . 13 LYS N . 16882 1 176 . 1 1 14 14 GLY H H 1 8.432 0.020 . 1 . . . . 14 GLY H . 16882 1 177 . 1 1 14 14 GLY HA2 H 1 4.295 0.020 . 2 . . . . 14 GLY HA2 . 16882 1 178 . 1 1 14 14 GLY HA3 H 1 4.166 0.020 . 2 . . . . 14 GLY HA3 . 16882 1 179 . 1 1 14 14 GLY C C 13 171.307 0.400 . 1 . . . . 14 GLY C . 16882 1 180 . 1 1 14 14 GLY CA C 13 44.983 0.400 . 1 . . . . 14 GLY CA . 16882 1 181 . 1 1 14 14 GLY N N 15 109.448 0.400 . 1 . . . . 14 GLY N . 16882 1 182 . 1 1 15 15 GLU H H 1 8.407 0.020 . 1 . . . . 15 GLU H . 16882 1 183 . 1 1 15 15 GLU HA H 1 5.615 0.020 . 1 . . . . 15 GLU HA . 16882 1 184 . 1 1 15 15 GLU HB2 H 1 1.937 0.020 . 2 . . . . 15 GLU HB2 . 16882 1 185 . 1 1 15 15 GLU HB3 H 1 2.039 0.020 . 2 . . . . 15 GLU HB3 . 16882 1 186 . 1 1 15 15 GLU HG2 H 1 2.152 0.020 . 1 . . . . 15 GLU HG2 . 16882 1 187 . 1 1 15 15 GLU HG3 H 1 2.152 0.020 . 1 . . . . 15 GLU HG3 . 16882 1 188 . 1 1 15 15 GLU C C 13 175.310 0.400 . 1 . . . . 15 GLU C . 16882 1 189 . 1 1 15 15 GLU CA C 13 54.544 0.400 . 1 . . . . 15 GLU CA . 16882 1 190 . 1 1 15 15 GLU CB C 13 33.821 0.400 . 1 . . . . 15 GLU CB . 16882 1 191 . 1 1 15 15 GLU CG C 13 35.903 0.400 . 1 . . . . 15 GLU CG . 16882 1 192 . 1 1 15 15 GLU N N 15 118.684 0.400 . 1 . . . . 15 GLU N . 16882 1 193 . 1 1 16 16 THR H H 1 8.777 0.020 . 1 . . . . 16 THR H . 16882 1 194 . 1 1 16 16 THR HA H 1 4.743 0.020 . 1 . . . . 16 THR HA . 16882 1 195 . 1 1 16 16 THR HB H 1 3.905 0.020 . 1 . . . . 16 THR HB . 16882 1 196 . 1 1 16 16 THR HG21 H 1 0.403 0.020 . 1 . . . . 16 THR HG21 . 16882 1 197 . 1 1 16 16 THR HG22 H 1 0.403 0.020 . 1 . . . . 16 THR HG22 . 16882 1 198 . 1 1 16 16 THR HG23 H 1 0.403 0.020 . 1 . . . . 16 THR HG23 . 16882 1 199 . 1 1 16 16 THR C C 13 172.030 0.400 . 1 . . . . 16 THR C . 16882 1 200 . 1 1 16 16 THR CA C 13 60.500 0.400 . 1 . . . . 16 THR CA . 16882 1 201 . 1 1 16 16 THR CB C 13 69.260 0.400 . 1 . . . . 16 THR CB . 16882 1 202 . 1 1 16 16 THR CG2 C 13 19.003 0.400 . 1 . . . . 16 THR CG2 . 16882 1 203 . 1 1 16 16 THR N N 15 115.913 0.400 . 1 . . . . 16 THR N . 16882 1 204 . 1 1 17 17 THR H H 1 8.086 0.020 . 1 . . . . 17 THR H . 16882 1 205 . 1 1 17 17 THR HA H 1 5.819 0.020 . 1 . . . . 17 THR HA . 16882 1 206 . 1 1 17 17 THR HB H 1 4.311 0.020 . 1 . . . . 17 THR HB . 16882 1 207 . 1 1 17 17 THR HG21 H 1 1.196 0.020 . 1 . . . . 17 THR HG21 . 16882 1 208 . 1 1 17 17 THR HG22 H 1 1.196 0.020 . 1 . . . . 17 THR HG22 . 16882 1 209 . 1 1 17 17 THR HG23 H 1 1.196 0.020 . 1 . . . . 17 THR HG23 . 16882 1 210 . 1 1 17 17 THR C C 13 174.092 0.400 . 1 . . . . 17 THR C . 16882 1 211 . 1 1 17 17 THR CA C 13 59.719 0.400 . 1 . . . . 17 THR CA . 16882 1 212 . 1 1 17 17 THR CB C 13 73.126 0.400 . 1 . . . . 17 THR CB . 16882 1 213 . 1 1 17 17 THR CG2 C 13 21.320 0.400 . 1 . . . . 17 THR CG2 . 16882 1 214 . 1 1 17 17 THR N N 15 111.876 0.400 . 1 . . . . 17 THR N . 16882 1 215 . 1 1 18 18 THR H H 1 8.992 0.020 . 1 . . . . 18 THR H . 16882 1 216 . 1 1 18 18 THR HA H 1 4.670 0.020 . 1 . . . . 18 THR HA . 16882 1 217 . 1 1 18 18 THR HB H 1 3.855 0.020 . 1 . . . . 18 THR HB . 16882 1 218 . 1 1 18 18 THR HG21 H 1 0.489 0.020 . 1 . . . . 18 THR HG21 . 16882 1 219 . 1 1 18 18 THR HG22 H 1 0.489 0.020 . 1 . . . . 18 THR HG22 . 16882 1 220 . 1 1 18 18 THR HG23 H 1 0.489 0.020 . 1 . . . . 18 THR HG23 . 16882 1 221 . 1 1 18 18 THR C C 13 170.655 0.400 . 1 . . . . 18 THR C . 16882 1 222 . 1 1 18 18 THR CA C 13 62.339 0.400 . 1 . . . . 18 THR CA . 16882 1 223 . 1 1 18 18 THR CB C 13 69.779 0.400 . 1 . . . . 18 THR CB . 16882 1 224 . 1 1 18 18 THR CG2 C 13 19.080 0.400 . 1 . . . . 18 THR CG2 . 16882 1 225 . 1 1 18 18 THR N N 15 114.685 0.400 . 1 . . . . 18 THR N . 16882 1 226 . 1 1 19 19 GLU H H 1 7.959 0.020 . 1 . . . . 19 GLU H . 16882 1 227 . 1 1 19 19 GLU HA H 1 5.181 0.020 . 1 . . . . 19 GLU HA . 16882 1 228 . 1 1 19 19 GLU HB2 H 1 1.950 0.020 . 1 . . . . 19 GLU HB2 . 16882 1 229 . 1 1 19 19 GLU HB3 H 1 1.950 0.020 . 1 . . . . 19 GLU HB3 . 16882 1 230 . 1 1 19 19 GLU HG2 H 1 2.064 0.020 . 2 . . . . 19 GLU HG2 . 16882 1 231 . 1 1 19 19 GLU HG3 H 1 2.279 0.020 . 2 . . . . 19 GLU HG3 . 16882 1 232 . 1 1 19 19 GLU C C 13 175.835 0.400 . 1 . . . . 19 GLU C . 16882 1 233 . 1 1 19 19 GLU CA C 13 54.295 0.400 . 1 . . . . 19 GLU CA . 16882 1 234 . 1 1 19 19 GLU CB C 13 30.218 0.400 . 1 . . . . 19 GLU CB . 16882 1 235 . 1 1 19 19 GLU CG C 13 35.658 0.400 . 1 . . . . 19 GLU CG . 16882 1 236 . 1 1 19 19 GLU N N 15 126.141 0.400 . 1 . . . . 19 GLU N . 16882 1 237 . 1 1 20 20 ALA H H 1 9.340 0.020 . 1 . . . . 20 ALA H . 16882 1 238 . 1 1 20 20 ALA HA H 1 4.953 0.020 . 1 . . . . 20 ALA HA . 16882 1 239 . 1 1 20 20 ALA HB1 H 1 1.335 0.020 . 1 . . . . 20 ALA HB1 . 16882 1 240 . 1 1 20 20 ALA HB2 H 1 1.335 0.020 . 1 . . . . 20 ALA HB2 . 16882 1 241 . 1 1 20 20 ALA HB3 H 1 1.335 0.020 . 1 . . . . 20 ALA HB3 . 16882 1 242 . 1 1 20 20 ALA C C 13 177.606 0.400 . 1 . . . . 20 ALA C . 16882 1 243 . 1 1 20 20 ALA CA C 13 50.682 0.400 . 1 . . . . 20 ALA CA . 16882 1 244 . 1 1 20 20 ALA CB C 13 23.670 0.400 . 1 . . . . 20 ALA CB . 16882 1 245 . 1 1 20 20 ALA N N 15 127.324 0.400 . 1 . . . . 20 ALA N . 16882 1 246 . 1 1 21 21 VAL H H 1 8.500 0.020 . 1 . . . . 21 VAL H . 16882 1 247 . 1 1 21 21 VAL HA H 1 4.115 0.020 . 1 . . . . 21 VAL HA . 16882 1 248 . 1 1 21 21 VAL HB H 1 2.201 0.020 . 1 . . . . 21 VAL HB . 16882 1 249 . 1 1 21 21 VAL HG11 H 1 1.016 0.020 . 2 . . . . 21 VAL HG11 . 16882 1 250 . 1 1 21 21 VAL HG12 H 1 1.016 0.020 . 2 . . . . 21 VAL HG12 . 16882 1 251 . 1 1 21 21 VAL HG13 H 1 1.016 0.020 . 2 . . . . 21 VAL HG13 . 16882 1 252 . 1 1 21 21 VAL HG21 H 1 1.001 0.020 . 2 . . . . 21 VAL HG21 . 16882 1 253 . 1 1 21 21 VAL HG22 H 1 1.001 0.020 . 2 . . . . 21 VAL HG22 . 16882 1 254 . 1 1 21 21 VAL HG23 H 1 1.001 0.020 . 2 . . . . 21 VAL HG23 . 16882 1 255 . 1 1 21 21 VAL C C 13 175.041 0.400 . 1 . . . . 21 VAL C . 16882 1 256 . 1 1 21 21 VAL CA C 13 63.361 0.400 . 1 . . . . 21 VAL CA . 16882 1 257 . 1 1 21 21 VAL CB C 13 31.773 0.400 . 1 . . . . 21 VAL CB . 16882 1 258 . 1 1 21 21 VAL CG1 C 13 20.634 0.400 . 1 . . . . 21 VAL CG1 . 16882 1 259 . 1 1 21 21 VAL CG2 C 13 19.857 0.400 . 1 . . . . 21 VAL CG2 . 16882 1 260 . 1 1 21 21 VAL N N 15 115.671 0.400 . 1 . . . . 21 VAL N . 16882 1 261 . 1 1 22 22 ASP H H 1 7.340 0.020 . 1 . . . . 22 ASP H . 16882 1 262 . 1 1 22 22 ASP HA H 1 4.775 0.020 . 1 . . . . 22 ASP HA . 16882 1 263 . 1 1 22 22 ASP HB2 H 1 2.982 0.020 . 2 . . . . 22 ASP HB2 . 16882 1 264 . 1 1 22 22 ASP HB3 H 1 3.055 0.020 . 2 . . . . 22 ASP HB3 . 16882 1 265 . 1 1 22 22 ASP C C 13 174.744 0.400 . 1 . . . . 22 ASP C . 16882 1 266 . 1 1 22 22 ASP CA C 13 52.495 0.400 . 1 . . . . 22 ASP CA . 16882 1 267 . 1 1 22 22 ASP CB C 13 41.875 0.400 . 1 . . . . 22 ASP CB . 16882 1 268 . 1 1 22 22 ASP N N 15 115.185 0.400 . 1 . . . . 22 ASP N . 16882 1 269 . 1 1 23 23 ALA H H 1 8.303 0.020 . 1 . . . . 23 ALA H . 16882 1 270 . 1 1 23 23 ALA HA H 1 3.330 0.020 . 1 . . . . 23 ALA HA . 16882 1 271 . 1 1 23 23 ALA HB1 H 1 1.192 0.020 . 1 . . . . 23 ALA HB1 . 16882 1 272 . 1 1 23 23 ALA HB2 H 1 1.192 0.020 . 1 . . . . 23 ALA HB2 . 16882 1 273 . 1 1 23 23 ALA HB3 H 1 1.192 0.020 . 1 . . . . 23 ALA HB3 . 16882 1 274 . 1 1 23 23 ALA C C 13 179.193 0.400 . 1 . . . . 23 ALA C . 16882 1 275 . 1 1 23 23 ALA CA C 13 54.544 0.400 . 1 . . . . 23 ALA CA . 16882 1 276 . 1 1 23 23 ALA CB C 13 17.200 0.400 . 1 . . . . 23 ALA CB . 16882 1 277 . 1 1 23 23 ALA N N 15 121.393 0.400 . 1 . . . . 23 ALA N . 16882 1 278 . 1 1 24 24 ALA H H 1 8.061 0.020 . 1 . . . . 24 ALA H . 16882 1 279 . 1 1 24 24 ALA HA H 1 3.971 0.020 . 1 . . . . 24 ALA HA . 16882 1 280 . 1 1 24 24 ALA HB1 H 1 1.290 0.020 . 1 . . . . 24 ALA HB1 . 16882 1 281 . 1 1 24 24 ALA HB2 H 1 1.290 0.020 . 1 . . . . 24 ALA HB2 . 16882 1 282 . 1 1 24 24 ALA HB3 H 1 1.290 0.020 . 1 . . . . 24 ALA HB3 . 16882 1 283 . 1 1 24 24 ALA C C 13 180.907 0.400 . 1 . . . . 24 ALA C . 16882 1 284 . 1 1 24 24 ALA CA C 13 54.532 0.400 . 1 . . . . 24 ALA CA . 16882 1 285 . 1 1 24 24 ALA CB C 13 17.785 0.400 . 1 . . . . 24 ALA CB . 16882 1 286 . 1 1 24 24 ALA N N 15 120.470 0.400 . 1 . . . . 24 ALA N . 16882 1 287 . 1 1 25 25 THR H H 1 8.288 0.020 . 1 . . . . 25 THR H . 16882 1 288 . 1 1 25 25 THR HA H 1 3.712 0.020 . 1 . . . . 25 THR HA . 16882 1 289 . 1 1 25 25 THR HB H 1 4.019 0.020 . 1 . . . . 25 THR HB . 16882 1 290 . 1 1 25 25 THR HG21 H 1 1.250 0.020 . 1 . . . . 25 THR HG21 . 16882 1 291 . 1 1 25 25 THR HG22 H 1 1.250 0.020 . 1 . . . . 25 THR HG22 . 16882 1 292 . 1 1 25 25 THR HG23 H 1 1.250 0.020 . 1 . . . . 25 THR HG23 . 16882 1 293 . 1 1 25 25 THR C C 13 176.082 0.400 . 1 . . . . 25 THR C . 16882 1 294 . 1 1 25 25 THR CA C 13 66.701 0.400 . 1 . . . . 25 THR CA . 16882 1 295 . 1 1 25 25 THR CB C 13 67.701 0.400 . 1 . . . . 25 THR CB . 16882 1 296 . 1 1 25 25 THR CG2 C 13 21.152 0.400 . 1 . . . . 25 THR CG2 . 16882 1 297 . 1 1 25 25 THR N N 15 116.392 0.400 . 1 . . . . 25 THR N . 16882 1 298 . 1 1 26 26 ALA H H 1 7.162 0.020 . 1 . . . . 26 ALA H . 16882 1 299 . 1 1 26 26 ALA HA H 1 3.082 0.020 . 1 . . . . 26 ALA HA . 16882 1 300 . 1 1 26 26 ALA HB1 H 1 0.537 0.020 . 1 . . . . 26 ALA HB1 . 16882 1 301 . 1 1 26 26 ALA HB2 H 1 0.537 0.020 . 1 . . . . 26 ALA HB2 . 16882 1 302 . 1 1 26 26 ALA HB3 H 1 0.537 0.020 . 1 . . . . 26 ALA HB3 . 16882 1 303 . 1 1 26 26 ALA C C 13 177.074 0.400 . 1 . . . . 26 ALA C . 16882 1 304 . 1 1 26 26 ALA CA C 13 54.784 0.400 . 1 . . . . 26 ALA CA . 16882 1 305 . 1 1 26 26 ALA CB C 13 17.478 0.400 . 1 . . . . 26 ALA CB . 16882 1 306 . 1 1 26 26 ALA N N 15 123.683 0.400 . 1 . . . . 26 ALA N . 16882 1 307 . 1 1 27 27 GLU H H 1 8.339 0.020 . 1 . . . . 27 GLU H . 16882 1 308 . 1 1 27 27 GLU HA H 1 2.638 0.020 . 1 . . . . 27 GLU HA . 16882 1 309 . 1 1 27 27 GLU HB2 H 1 1.850 0.020 . 2 . . . . 27 GLU HB2 . 16882 1 310 . 1 1 27 27 GLU HB3 H 1 1.970 0.020 . 2 . . . . 27 GLU HB3 . 16882 1 311 . 1 1 27 27 GLU HG2 H 1 1.629 0.020 . 1 . . . . 27 GLU HG2 . 16882 1 312 . 1 1 27 27 GLU HG3 H 1 1.629 0.020 . 1 . . . . 27 GLU HG3 . 16882 1 313 . 1 1 27 27 GLU C C 13 177.294 0.400 . 1 . . . . 27 GLU C . 16882 1 314 . 1 1 27 27 GLU CA C 13 59.453 0.400 . 1 . . . . 27 GLU CA . 16882 1 315 . 1 1 27 27 GLU CB C 13 29.139 0.400 . 1 . . . . 27 GLU CB . 16882 1 316 . 1 1 27 27 GLU CG C 13 35.917 0.400 . 1 . . . . 27 GLU CG . 16882 1 317 . 1 1 27 27 GLU N N 15 116.630 0.400 . 1 . . . . 27 GLU N . 16882 1 318 . 1 1 28 28 LYS H H 1 6.955 0.020 . 1 . . . . 28 LYS H . 16882 1 319 . 1 1 28 28 LYS HA H 1 3.719 0.020 . 1 . . . . 28 LYS HA . 16882 1 320 . 1 1 28 28 LYS HB2 H 1 1.847 0.020 . 1 . . . . 28 LYS HB2 . 16882 1 321 . 1 1 28 28 LYS HB3 H 1 1.847 0.020 . 1 . . . . 28 LYS HB3 . 16882 1 322 . 1 1 28 28 LYS HD2 H 1 1.622 0.020 . 1 . . . . 28 LYS HD2 . 16882 1 323 . 1 1 28 28 LYS HD3 H 1 1.622 0.020 . 1 . . . . 28 LYS HD3 . 16882 1 324 . 1 1 28 28 LYS HE2 H 1 2.906 0.020 . 1 . . . . 28 LYS HE2 . 16882 1 325 . 1 1 28 28 LYS HE3 H 1 2.906 0.020 . 1 . . . . 28 LYS HE3 . 16882 1 326 . 1 1 28 28 LYS HG2 H 1 1.339 0.020 . 2 . . . . 28 LYS HG2 . 16882 1 327 . 1 1 28 28 LYS HG3 H 1 1.547 0.020 . 2 . . . . 28 LYS HG3 . 16882 1 328 . 1 1 28 28 LYS C C 13 179.972 0.400 . 1 . . . . 28 LYS C . 16882 1 329 . 1 1 28 28 LYS CA C 13 59.471 0.400 . 1 . . . . 28 LYS CA . 16882 1 330 . 1 1 28 28 LYS CB C 13 32.291 0.400 . 1 . . . . 28 LYS CB . 16882 1 331 . 1 1 28 28 LYS CD C 13 29.164 0.400 . 1 . . . . 28 LYS CD . 16882 1 332 . 1 1 28 28 LYS CE C 13 41.875 0.400 . 1 . . . . 28 LYS CE . 16882 1 333 . 1 1 28 28 LYS CG C 13 25.026 0.400 . 1 . . . . 28 LYS CG . 16882 1 334 . 1 1 28 28 LYS N N 15 116.633 0.400 . 1 . . . . 28 LYS N . 16882 1 335 . 1 1 29 29 VAL H H 1 7.329 0.020 . 1 . . . . 29 VAL H . 16882 1 336 . 1 1 29 29 VAL HA H 1 3.628 0.020 . 1 . . . . 29 VAL HA . 16882 1 337 . 1 1 29 29 VAL HB H 1 1.773 0.020 . 1 . . . . 29 VAL HB . 16882 1 338 . 1 1 29 29 VAL HG11 H 1 0.813 0.020 . 2 . . . . 29 VAL HG11 . 16882 1 339 . 1 1 29 29 VAL HG12 H 1 0.813 0.020 . 2 . . . . 29 VAL HG12 . 16882 1 340 . 1 1 29 29 VAL HG13 H 1 0.813 0.020 . 2 . . . . 29 VAL HG13 . 16882 1 341 . 1 1 29 29 VAL HG21 H 1 0.923 0.020 . 2 . . . . 29 VAL HG21 . 16882 1 342 . 1 1 29 29 VAL HG22 H 1 0.923 0.020 . 2 . . . . 29 VAL HG22 . 16882 1 343 . 1 1 29 29 VAL HG23 H 1 0.923 0.020 . 2 . . . . 29 VAL HG23 . 16882 1 344 . 1 1 29 29 VAL C C 13 179.795 0.400 . 1 . . . . 29 VAL C . 16882 1 345 . 1 1 29 29 VAL CA C 13 65.941 0.400 . 1 . . . . 29 VAL CA . 16882 1 346 . 1 1 29 29 VAL CB C 13 31.759 0.400 . 1 . . . . 29 VAL CB . 16882 1 347 . 1 1 29 29 VAL CG1 C 13 20.335 0.400 . 1 . . . . 29 VAL CG1 . 16882 1 348 . 1 1 29 29 VAL CG2 C 13 21.656 0.400 . 1 . . . . 29 VAL CG2 . 16882 1 349 . 1 1 29 29 VAL N N 15 120.668 0.400 . 1 . . . . 29 VAL N . 16882 1 350 . 1 1 30 30 PHE H H 1 8.530 0.020 . 1 . . . . 30 PHE H . 16882 1 351 . 1 1 30 30 PHE HA H 1 4.791 0.020 . 1 . . . . 30 PHE HA . 16882 1 352 . 1 1 30 30 PHE HB2 H 1 2.868 0.020 . 2 . . . . 30 PHE HB2 . 16882 1 353 . 1 1 30 30 PHE HB3 H 1 3.350 0.020 . 2 . . . . 30 PHE HB3 . 16882 1 354 . 1 1 30 30 PHE HD1 H 1 6.546 0.020 . 1 . . . . 30 PHE HD1 . 16882 1 355 . 1 1 30 30 PHE HD2 H 1 6.546 0.020 . 1 . . . . 30 PHE HD2 . 16882 1 356 . 1 1 30 30 PHE HE1 H 1 7.095 0.020 . 1 . . . . 30 PHE HE1 . 16882 1 357 . 1 1 30 30 PHE HE2 H 1 7.095 0.020 . 1 . . . . 30 PHE HE2 . 16882 1 358 . 1 1 30 30 PHE HZ H 1 7.180 0.020 . 1 . . . . 30 PHE HZ . 16882 1 359 . 1 1 30 30 PHE C C 13 178.328 0.400 . 1 . . . . 30 PHE C . 16882 1 360 . 1 1 30 30 PHE CA C 13 56.340 0.400 . 1 . . . . 30 PHE CA . 16882 1 361 . 1 1 30 30 PHE CB C 13 37.430 0.400 . 1 . . . . 30 PHE CB . 16882 1 362 . 1 1 30 30 PHE CD1 C 13 129.367 0.400 . 1 . . . . 30 PHE CD1 . 16882 1 363 . 1 1 30 30 PHE CE1 C 13 130.377 0.400 . 1 . . . . 30 PHE CE1 . 16882 1 364 . 1 1 30 30 PHE CZ C 13 130.377 0.400 . 1 . . . . 30 PHE CZ . 16882 1 365 . 1 1 30 30 PHE N N 15 120.668 0.400 . 1 . . . . 30 PHE N . 16882 1 366 . 1 1 31 31 LYS H H 1 9.100 0.020 . 1 . . . . 31 LYS H . 16882 1 367 . 1 1 31 31 LYS HA H 1 4.189 0.020 . 1 . . . . 31 LYS HA . 16882 1 368 . 1 1 31 31 LYS HB2 H 1 1.580 0.020 . 2 . . . . 31 LYS HB2 . 16882 1 369 . 1 1 31 31 LYS HB3 H 1 1.675 0.020 . 2 . . . . 31 LYS HB3 . 16882 1 370 . 1 1 31 31 LYS HD2 H 1 1.065 0.020 . 2 . . . . 31 LYS HD2 . 16882 1 371 . 1 1 31 31 LYS HD3 H 1 1.132 0.020 . 2 . . . . 31 LYS HD3 . 16882 1 372 . 1 1 31 31 LYS HE2 H 1 1.668 0.020 . 2 . . . . 31 LYS HE2 . 16882 1 373 . 1 1 31 31 LYS HE3 H 1 1.911 0.020 . 2 . . . . 31 LYS HE3 . 16882 1 374 . 1 1 31 31 LYS HG2 H 1 0.497 0.020 . 2 . . . . 31 LYS HG2 . 16882 1 375 . 1 1 31 31 LYS HG3 H 1 0.835 0.020 . 2 . . . . 31 LYS HG3 . 16882 1 376 . 1 1 31 31 LYS C C 13 179.561 0.400 . 1 . . . . 31 LYS C . 16882 1 377 . 1 1 31 31 LYS CA C 13 59.730 0.400 . 1 . . . . 31 LYS CA . 16882 1 378 . 1 1 31 31 LYS CB C 13 31.507 0.400 . 1 . . . . 31 LYS CB . 16882 1 379 . 1 1 31 31 LYS CD C 13 28.923 0.400 . 1 . . . . 31 LYS CD . 16882 1 380 . 1 1 31 31 LYS CE C 13 41.098 0.400 . 1 . . . . 31 LYS CE . 16882 1 381 . 1 1 31 31 LYS CG C 13 25.700 0.400 . 1 . . . . 31 LYS CG . 16882 1 382 . 1 1 31 31 LYS N N 15 122.805 0.400 . 1 . . . . 31 LYS N . 16882 1 383 . 1 1 32 32 GLN H H 1 7.443 0.020 . 1 . . . . 32 GLN H . 16882 1 384 . 1 1 32 32 GLN HA H 1 4.060 0.020 . 1 . . . . 32 GLN HA . 16882 1 385 . 1 1 32 32 GLN HB2 H 1 2.245 0.020 . 1 . . . . 32 GLN HB2 . 16882 1 386 . 1 1 32 32 GLN HB3 H 1 2.245 0.020 . 1 . . . . 32 GLN HB3 . 16882 1 387 . 1 1 32 32 GLN HG2 H 1 2.450 0.020 . 1 . . . . 32 GLN HG2 . 16882 1 388 . 1 1 32 32 GLN HG3 H 1 2.450 0.020 . 1 . . . . 32 GLN HG3 . 16882 1 389 . 1 1 32 32 GLN C C 13 177.046 0.400 . 1 . . . . 32 GLN C . 16882 1 390 . 1 1 32 32 GLN CA C 13 58.658 0.400 . 1 . . . . 32 GLN CA . 16882 1 391 . 1 1 32 32 GLN CB C 13 28.122 0.400 . 1 . . . . 32 GLN CB . 16882 1 392 . 1 1 32 32 GLN CG C 13 33.255 0.400 . 1 . . . . 32 GLN CG . 16882 1 393 . 1 1 32 32 GLN N N 15 119.684 0.400 . 1 . . . . 32 GLN N . 16882 1 394 . 1 1 33 33 TYR H H 1 8.274 0.020 . 1 . . . . 33 TYR H . 16882 1 395 . 1 1 33 33 TYR HA H 1 4.260 0.020 . 1 . . . . 33 TYR HA . 16882 1 396 . 1 1 33 33 TYR HB2 H 1 3.313 0.020 . 1 . . . . 33 TYR HB2 . 16882 1 397 . 1 1 33 33 TYR HB3 H 1 3.313 0.020 . 1 . . . . 33 TYR HB3 . 16882 1 398 . 1 1 33 33 TYR HD1 H 1 6.996 0.020 . 1 . . . . 33 TYR HD1 . 16882 1 399 . 1 1 33 33 TYR HD2 H 1 6.996 0.020 . 1 . . . . 33 TYR HD2 . 16882 1 400 . 1 1 33 33 TYR HE1 H 1 6.752 0.020 . 1 . . . . 33 TYR HE1 . 16882 1 401 . 1 1 33 33 TYR HE2 H 1 6.752 0.020 . 1 . . . . 33 TYR HE2 . 16882 1 402 . 1 1 33 33 TYR C C 13 179.030 0.400 . 1 . . . . 33 TYR C . 16882 1 403 . 1 1 33 33 TYR CA C 13 61.773 0.400 . 1 . . . . 33 TYR CA . 16882 1 404 . 1 1 33 33 TYR CB C 13 38.453 0.400 . 1 . . . . 33 TYR CB . 16882 1 405 . 1 1 33 33 TYR CD1 C 13 132.901 0.400 . 1 . . . . 33 TYR CD1 . 16882 1 406 . 1 1 33 33 TYR CE1 C 13 117.754 0.400 . 1 . . . . 33 TYR CE1 . 16882 1 407 . 1 1 33 33 TYR N N 15 121.148 0.400 . 1 . . . . 33 TYR N . 16882 1 408 . 1 1 34 34 ALA H H 1 9.207 0.020 . 1 . . . . 34 ALA H . 16882 1 409 . 1 1 34 34 ALA HA H 1 3.818 0.020 . 1 . . . . 34 ALA HA . 16882 1 410 . 1 1 34 34 ALA HB1 H 1 1.874 0.020 . 1 . . . . 34 ALA HB1 . 16882 1 411 . 1 1 34 34 ALA HB2 H 1 1.874 0.020 . 1 . . . . 34 ALA HB2 . 16882 1 412 . 1 1 34 34 ALA HB3 H 1 1.874 0.020 . 1 . . . . 34 ALA HB3 . 16882 1 413 . 1 1 34 34 ALA C C 13 179.278 0.400 . 1 . . . . 34 ALA C . 16882 1 414 . 1 1 34 34 ALA CA C 13 56.074 0.400 . 1 . . . . 34 ALA CA . 16882 1 415 . 1 1 34 34 ALA CB C 13 17.734 0.400 . 1 . . . . 34 ALA CB . 16882 1 416 . 1 1 34 34 ALA N N 15 122.585 0.400 . 1 . . . . 34 ALA N . 16882 1 417 . 1 1 35 35 ASN H H 1 8.254 0.020 . 1 . . . . 35 ASN H . 16882 1 418 . 1 1 35 35 ASN HA H 1 4.456 0.020 . 1 . . . . 35 ASN HA . 16882 1 419 . 1 1 35 35 ASN HB2 H 1 2.959 0.020 . 1 . . . . 35 ASN HB2 . 16882 1 420 . 1 1 35 35 ASN HB3 H 1 2.959 0.020 . 1 . . . . 35 ASN HB3 . 16882 1 421 . 1 1 35 35 ASN C C 13 179.335 0.400 . 1 . . . . 35 ASN C . 16882 1 422 . 1 1 35 35 ASN CA C 13 56.899 0.400 . 1 . . . . 35 ASN CA . 16882 1 423 . 1 1 35 35 ASN CB C 13 38.742 0.400 . 1 . . . . 35 ASN CB . 16882 1 424 . 1 1 35 35 ASN N N 15 117.596 0.400 . 1 . . . . 35 ASN N . 16882 1 425 . 1 1 36 36 ASP H H 1 8.953 0.020 . 1 . . . . 36 ASP H . 16882 1 426 . 1 1 36 36 ASP HA H 1 4.376 0.020 . 1 . . . . 36 ASP HA . 16882 1 427 . 1 1 36 36 ASP HB2 H 1 2.581 0.020 . 2 . . . . 36 ASP HB2 . 16882 1 428 . 1 1 36 36 ASP HB3 H 1 2.743 0.020 . 2 . . . . 36 ASP HB3 . 16882 1 429 . 1 1 36 36 ASP C C 13 177.110 0.400 . 1 . . . . 36 ASP C . 16882 1 430 . 1 1 36 36 ASP CA C 13 56.899 0.400 . 1 . . . . 36 ASP CA . 16882 1 431 . 1 1 36 36 ASP CB C 13 39.779 0.400 . 1 . . . . 36 ASP CB . 16882 1 432 . 1 1 36 36 ASP N N 15 121.388 0.400 . 1 . . . . 36 ASP N . 16882 1 433 . 1 1 37 37 ASN H H 1 7.401 0.020 . 1 . . . . 37 ASN H . 16882 1 434 . 1 1 37 37 ASN HA H 1 4.605 0.020 . 1 . . . . 37 ASN HA . 16882 1 435 . 1 1 37 37 ASN HB2 H 1 2.131 0.020 . 2 . . . . 37 ASN HB2 . 16882 1 436 . 1 1 37 37 ASN HB3 H 1 2.708 0.020 . 2 . . . . 37 ASN HB3 . 16882 1 437 . 1 1 37 37 ASN C C 13 174.007 0.400 . 1 . . . . 37 ASN C . 16882 1 438 . 1 1 37 37 ASN CA C 13 53.791 0.400 . 1 . . . . 37 ASN CA . 16882 1 439 . 1 1 37 37 ASN CB C 13 40.044 0.400 . 1 . . . . 37 ASN CB . 16882 1 440 . 1 1 37 37 ASN N N 15 115.433 0.400 . 1 . . . . 37 ASN N . 16882 1 441 . 1 1 38 38 GLY H H 1 7.812 0.020 . 1 . . . . 38 GLY H . 16882 1 442 . 1 1 38 38 GLY HA2 H 1 3.937 0.020 . 1 . . . . 38 GLY HA2 . 16882 1 443 . 1 1 38 38 GLY HA3 H 1 3.937 0.020 . 1 . . . . 38 GLY HA3 . 16882 1 444 . 1 1 38 38 GLY C C 13 174.163 0.400 . 1 . . . . 38 GLY C . 16882 1 445 . 1 1 38 38 GLY CA C 13 46.700 0.400 . 1 . . . . 38 GLY CA . 16882 1 446 . 1 1 38 38 GLY N N 15 108.065 0.400 . 1 . . . . 38 GLY N . 16882 1 447 . 1 1 39 39 VAL H H 1 8.129 0.020 . 1 . . . . 39 VAL H . 16882 1 448 . 1 1 39 39 VAL HA H 1 4.165 0.020 . 1 . . . . 39 VAL HA . 16882 1 449 . 1 1 39 39 VAL HB H 1 1.762 0.020 . 1 . . . . 39 VAL HB . 16882 1 450 . 1 1 39 39 VAL HG11 H 1 0.664 0.020 . 2 . . . . 39 VAL HG11 . 16882 1 451 . 1 1 39 39 VAL HG12 H 1 0.664 0.020 . 2 . . . . 39 VAL HG12 . 16882 1 452 . 1 1 39 39 VAL HG13 H 1 0.664 0.020 . 2 . . . . 39 VAL HG13 . 16882 1 453 . 1 1 39 39 VAL HG21 H 1 0.837 0.020 . 2 . . . . 39 VAL HG21 . 16882 1 454 . 1 1 39 39 VAL HG22 H 1 0.837 0.020 . 2 . . . . 39 VAL HG22 . 16882 1 455 . 1 1 39 39 VAL HG23 H 1 0.837 0.020 . 2 . . . . 39 VAL HG23 . 16882 1 456 . 1 1 39 39 VAL C C 13 173.752 0.400 . 1 . . . . 39 VAL C . 16882 1 457 . 1 1 39 39 VAL CA C 13 61.821 0.400 . 1 . . . . 39 VAL CA . 16882 1 458 . 1 1 39 39 VAL CB C 13 33.211 0.400 . 1 . . . . 39 VAL CB . 16882 1 459 . 1 1 39 39 VAL CG1 C 13 21.371 0.400 . 1 . . . . 39 VAL CG1 . 16882 1 460 . 1 1 39 39 VAL CG2 C 13 21.634 0.400 . 1 . . . . 39 VAL CG2 . 16882 1 461 . 1 1 39 39 VAL N N 15 120.909 0.400 . 1 . . . . 39 VAL N . 16882 1 462 . 1 1 40 40 ASP H H 1 8.509 0.020 . 1 . . . . 40 ASP H . 16882 1 463 . 1 1 40 40 ASP HA H 1 4.898 0.020 . 1 . . . . 40 ASP HA . 16882 1 464 . 1 1 40 40 ASP HB2 H 1 2.617 0.020 . 2 . . . . 40 ASP HB2 . 16882 1 465 . 1 1 40 40 ASP HB3 H 1 2.748 0.020 . 2 . . . . 40 ASP HB3 . 16882 1 466 . 1 1 40 40 ASP C C 13 174.595 0.400 . 1 . . . . 40 ASP C . 16882 1 467 . 1 1 40 40 ASP CA C 13 52.495 0.400 . 1 . . . . 40 ASP CA . 16882 1 468 . 1 1 40 40 ASP CB C 13 42.911 0.400 . 1 . . . . 40 ASP CB . 16882 1 469 . 1 1 40 40 ASP N N 15 127.464 0.400 . 1 . . . . 40 ASP N . 16882 1 470 . 1 1 41 41 GLY H H 1 7.909 0.020 . 1 . . . . 41 GLY H . 16882 1 471 . 1 1 41 41 GLY HA2 H 1 4.257 0.020 . 2 . . . . 41 GLY HA2 . 16882 1 472 . 1 1 41 41 GLY HA3 H 1 3.733 0.020 . 2 . . . . 41 GLY HA3 . 16882 1 473 . 1 1 41 41 GLY C C 13 171.881 0.400 . 1 . . . . 41 GLY C . 16882 1 474 . 1 1 41 41 GLY CA C 13 45.194 0.400 . 1 . . . . 41 GLY CA . 16882 1 475 . 1 1 41 41 GLY N N 15 107.369 0.400 . 1 . . . . 41 GLY N . 16882 1 476 . 1 1 42 42 GLU H H 1 8.046 0.020 . 1 . . . . 42 GLU H . 16882 1 477 . 1 1 42 42 GLU HA H 1 4.698 0.020 . 1 . . . . 42 GLU HA . 16882 1 478 . 1 1 42 42 GLU HB2 H 1 1.986 0.020 . 2 . . . . 42 GLU HB2 . 16882 1 479 . 1 1 42 42 GLU HB3 H 1 2.082 0.020 . 2 . . . . 42 GLU HB3 . 16882 1 480 . 1 1 42 42 GLU HG2 H 1 2.267 0.020 . 2 . . . . 42 GLU HG2 . 16882 1 481 . 1 1 42 42 GLU HG3 H 1 2.367 0.020 . 2 . . . . 42 GLU HG3 . 16882 1 482 . 1 1 42 42 GLU C C 13 176.940 0.400 . 1 . . . . 42 GLU C . 16882 1 483 . 1 1 42 42 GLU CA C 13 55.604 0.400 . 1 . . . . 42 GLU CA . 16882 1 484 . 1 1 42 42 GLU CB C 13 31.400 0.400 . 1 . . . . 42 GLU CB . 16882 1 485 . 1 1 42 42 GLU CG C 13 36.435 0.400 . 1 . . . . 42 GLU CG . 16882 1 486 . 1 1 42 42 GLU N N 15 120.668 0.400 . 1 . . . . 42 GLU N . 16882 1 487 . 1 1 43 43 TRP H H 1 9.333 0.020 . 1 . . . . 43 TRP H . 16882 1 488 . 1 1 43 43 TRP HA H 1 5.372 0.020 . 1 . . . . 43 TRP HA . 16882 1 489 . 1 1 43 43 TRP HB2 H 1 3.175 0.020 . 2 . . . . 43 TRP HB2 . 16882 1 490 . 1 1 43 43 TRP HB3 H 1 3.389 0.020 . 2 . . . . 43 TRP HB3 . 16882 1 491 . 1 1 43 43 TRP HD1 H 1 7.576 0.020 . 1 . . . . 43 TRP HD1 . 16882 1 492 . 1 1 43 43 TRP HE1 H 1 10.530 0.020 . 1 . . . . 43 TRP HE1 . 16882 1 493 . 1 1 43 43 TRP HE3 H 1 7.638 0.020 . 1 . . . . 43 TRP HE3 . 16882 1 494 . 1 1 43 43 TRP HH2 H 1 6.767 0.020 . 1 . . . . 43 TRP HH2 . 16882 1 495 . 1 1 43 43 TRP HZ2 H 1 7.371 0.020 . 1 . . . . 43 TRP HZ2 . 16882 1 496 . 1 1 43 43 TRP HZ3 H 1 6.646 0.020 . 1 . . . . 43 TRP HZ3 . 16882 1 497 . 1 1 43 43 TRP C C 13 177.011 0.400 . 1 . . . . 43 TRP C . 16882 1 498 . 1 1 43 43 TRP CA C 13 57.640 0.400 . 1 . . . . 43 TRP CA . 16882 1 499 . 1 1 43 43 TRP CB C 13 30.441 0.400 . 1 . . . . 43 TRP CB . 16882 1 500 . 1 1 43 43 TRP CD1 C 13 126.843 0.400 . 1 . . . . 43 TRP CD1 . 16882 1 501 . 1 1 43 43 TRP CE3 C 13 119.269 0.400 . 1 . . . . 43 TRP CE3 . 16882 1 502 . 1 1 43 43 TRP CH2 C 13 122.803 0.400 . 1 . . . . 43 TRP CH2 . 16882 1 503 . 1 1 43 43 TRP CZ2 C 13 114.220 0.400 . 1 . . . . 43 TRP CZ2 . 16882 1 504 . 1 1 43 43 TRP CZ3 C 13 120.279 0.400 . 1 . . . . 43 TRP CZ3 . 16882 1 505 . 1 1 43 43 TRP N N 15 128.183 0.400 . 1 . . . . 43 TRP N . 16882 1 506 . 1 1 43 43 TRP NE1 N 15 130.654 0.400 . 1 . . . . 43 TRP NE1 . 16882 1 507 . 1 1 44 44 THR H H 1 9.277 0.020 . 1 . . . . 44 THR H . 16882 1 508 . 1 1 44 44 THR HA H 1 4.835 0.020 . 1 . . . . 44 THR HA . 16882 1 509 . 1 1 44 44 THR HB H 1 4.246 0.020 . 1 . . . . 44 THR HB . 16882 1 510 . 1 1 44 44 THR HG21 H 1 1.193 0.020 . 1 . . . . 44 THR HG21 . 16882 1 511 . 1 1 44 44 THR HG22 H 1 1.193 0.020 . 1 . . . . 44 THR HG22 . 16882 1 512 . 1 1 44 44 THR HG23 H 1 1.193 0.020 . 1 . . . . 44 THR HG23 . 16882 1 513 . 1 1 44 44 THR C C 13 172.717 0.400 . 1 . . . . 44 THR C . 16882 1 514 . 1 1 44 44 THR CA C 13 60.525 0.400 . 1 . . . . 44 THR CA . 16882 1 515 . 1 1 44 44 THR CB C 13 72.182 0.400 . 1 . . . . 44 THR CB . 16882 1 516 . 1 1 44 44 THR CG2 C 13 21.670 0.400 . 1 . . . . 44 THR CG2 . 16882 1 517 . 1 1 44 44 THR N N 15 114.685 0.400 . 1 . . . . 44 THR N . 16882 1 518 . 1 1 45 45 TYR H H 1 8.582 0.020 . 1 . . . . 45 TYR H . 16882 1 519 . 1 1 45 45 TYR HA H 1 4.983 0.020 . 1 . . . . 45 TYR HA . 16882 1 520 . 1 1 45 45 TYR HB2 H 1 2.499 0.020 . 2 . . . . 45 TYR HB2 . 16882 1 521 . 1 1 45 45 TYR HB3 H 1 2.878 0.020 . 2 . . . . 45 TYR HB3 . 16882 1 522 . 1 1 45 45 TYR HD1 H 1 7.823 0.020 . 1 . . . . 45 TYR HD1 . 16882 1 523 . 1 1 45 45 TYR HD2 H 1 7.823 0.020 . 1 . . . . 45 TYR HD2 . 16882 1 524 . 1 1 45 45 TYR HE1 H 1 6.387 0.020 . 1 . . . . 45 TYR HE1 . 16882 1 525 . 1 1 45 45 TYR HE2 H 1 6.387 0.020 . 1 . . . . 45 TYR HE2 . 16882 1 526 . 1 1 45 45 TYR C C 13 173.192 0.400 . 1 . . . . 45 TYR C . 16882 1 527 . 1 1 45 45 TYR CA C 13 56.854 0.400 . 1 . . . . 45 TYR CA . 16882 1 528 . 1 1 45 45 TYR CB C 13 41.339 0.400 . 1 . . . . 45 TYR CB . 16882 1 529 . 1 1 45 45 TYR CD1 C 13 131.892 0.400 . 1 . . . . 45 TYR CD1 . 16882 1 530 . 1 1 45 45 TYR CE1 C 13 117.249 0.400 . 1 . . . . 45 TYR CE1 . 16882 1 531 . 1 1 45 45 TYR N N 15 120.667 0.400 . 1 . . . . 45 TYR N . 16882 1 532 . 1 1 46 46 ASP H H 1 7.636 0.020 . 1 . . . . 46 ASP H . 16882 1 533 . 1 1 46 46 ASP HA H 1 4.603 0.020 . 1 . . . . 46 ASP HA . 16882 1 534 . 1 1 46 46 ASP HB2 H 1 2.282 0.020 . 2 . . . . 46 ASP HB2 . 16882 1 535 . 1 1 46 46 ASP HB3 H 1 2.624 0.020 . 2 . . . . 46 ASP HB3 . 16882 1 536 . 1 1 46 46 ASP C C 13 174.588 0.400 . 1 . . . . 46 ASP C . 16882 1 537 . 1 1 46 46 ASP CA C 13 51.718 0.400 . 1 . . . . 46 ASP CA . 16882 1 538 . 1 1 46 46 ASP CB C 13 42.893 0.400 . 1 . . . . 46 ASP CB . 16882 1 539 . 1 1 46 46 ASP N N 15 128.433 0.400 . 1 . . . . 46 ASP N . 16882 1 540 . 1 1 47 47 ASP H H 1 8.587 0.020 . 1 . . . . 47 ASP H . 16882 1 541 . 1 1 47 47 ASP HA H 1 4.137 0.020 . 1 . . . . 47 ASP HA . 16882 1 542 . 1 1 47 47 ASP HB2 H 1 2.547 0.020 . 2 . . . . 47 ASP HB2 . 16882 1 543 . 1 1 47 47 ASP HB3 H 1 2.850 0.020 . 2 . . . . 47 ASP HB3 . 16882 1 544 . 1 1 47 47 ASP C C 13 178.038 0.400 . 1 . . . . 47 ASP C . 16882 1 545 . 1 1 47 47 ASP CA C 13 56.363 0.400 . 1 . . . . 47 ASP CA . 16882 1 546 . 1 1 47 47 ASP CB C 13 42.016 0.400 . 1 . . . . 47 ASP CB . 16882 1 547 . 1 1 47 47 ASP N N 15 124.933 0.400 . 1 . . . . 47 ASP N . 16882 1 548 . 1 1 48 48 ALA H H 1 8.343 0.020 . 1 . . . . 48 ALA H . 16882 1 549 . 1 1 48 48 ALA HA H 1 4.134 0.020 . 1 . . . . 48 ALA HA . 16882 1 550 . 1 1 48 48 ALA HB1 H 1 1.512 0.020 . 1 . . . . 48 ALA HB1 . 16882 1 551 . 1 1 48 48 ALA HB2 H 1 1.512 0.020 . 1 . . . . 48 ALA HB2 . 16882 1 552 . 1 1 48 48 ALA HB3 H 1 1.512 0.020 . 1 . . . . 48 ALA HB3 . 16882 1 553 . 1 1 48 48 ALA C C 13 179.873 0.400 . 1 . . . . 48 ALA C . 16882 1 554 . 1 1 48 48 ALA CA C 13 55.086 0.400 . 1 . . . . 48 ALA CA . 16882 1 555 . 1 1 48 48 ALA CB C 13 18.303 0.400 . 1 . . . . 48 ALA CB . 16882 1 556 . 1 1 48 48 ALA N N 15 119.934 0.400 . 1 . . . . 48 ALA N . 16882 1 557 . 1 1 49 49 THR H H 1 7.015 0.020 . 1 . . . . 49 THR H . 16882 1 558 . 1 1 49 49 THR HA H 1 4.423 0.020 . 1 . . . . 49 THR HA . 16882 1 559 . 1 1 49 49 THR HB H 1 4.426 0.020 . 1 . . . . 49 THR HB . 16882 1 560 . 1 1 49 49 THR HG21 H 1 1.085 0.020 . 1 . . . . 49 THR HG21 . 16882 1 561 . 1 1 49 49 THR HG22 H 1 1.085 0.020 . 1 . . . . 49 THR HG22 . 16882 1 562 . 1 1 49 49 THR HG23 H 1 1.085 0.020 . 1 . . . . 49 THR HG23 . 16882 1 563 . 1 1 49 49 THR C C 13 175.275 0.400 . 1 . . . . 49 THR C . 16882 1 564 . 1 1 49 49 THR CA C 13 60.266 0.400 . 1 . . . . 49 THR CA . 16882 1 565 . 1 1 49 49 THR CB C 13 70.000 0.400 . 1 . . . . 49 THR CB . 16882 1 566 . 1 1 49 49 THR CG2 C 13 20.375 0.400 . 1 . . . . 49 THR CG2 . 16882 1 567 . 1 1 49 49 THR N N 15 103.197 0.400 . 1 . . . . 49 THR N . 16882 1 568 . 1 1 50 50 LYS H H 1 7.872 0.020 . 1 . . . . 50 LYS H . 16882 1 569 . 1 1 50 50 LYS HA H 1 4.195 0.020 . 1 . . . . 50 LYS HA . 16882 1 570 . 1 1 50 50 LYS HB2 H 1 2.055 0.020 . 2 . . . . 50 LYS HB2 . 16882 1 571 . 1 1 50 50 LYS HB3 H 1 2.106 0.020 . 2 . . . . 50 LYS HB3 . 16882 1 572 . 1 1 50 50 LYS HD2 H 1 1.445 0.020 . 2 . . . . 50 LYS HD2 . 16882 1 573 . 1 1 50 50 LYS HD3 H 1 1.729 0.020 . 2 . . . . 50 LYS HD3 . 16882 1 574 . 1 1 50 50 LYS HE2 H 1 2.982 0.020 . 2 . . . . 50 LYS HE2 . 16882 1 575 . 1 1 50 50 LYS HE3 H 1 3.109 0.020 . 2 . . . . 50 LYS HE3 . 16882 1 576 . 1 1 50 50 LYS HG2 H 1 1.255 0.020 . 2 . . . . 50 LYS HG2 . 16882 1 577 . 1 1 50 50 LYS HG3 H 1 1.434 0.020 . 2 . . . . 50 LYS HG3 . 16882 1 578 . 1 1 50 50 LYS C C 13 175.048 0.400 . 1 . . . . 50 LYS C . 16882 1 579 . 1 1 50 50 LYS CA C 13 56.381 0.400 . 1 . . . . 50 LYS CA . 16882 1 580 . 1 1 50 50 LYS CB C 13 29.174 0.400 . 1 . . . . 50 LYS CB . 16882 1 581 . 1 1 50 50 LYS CD C 13 28.405 0.400 . 1 . . . . 50 LYS CD . 16882 1 582 . 1 1 50 50 LYS CE C 13 42.652 0.400 . 1 . . . . 50 LYS CE . 16882 1 583 . 1 1 50 50 LYS CG C 13 24.400 0.400 . 1 . . . . 50 LYS CG . 16882 1 584 . 1 1 50 50 LYS N N 15 123.184 0.400 . 1 . . . . 50 LYS N . 16882 1 585 . 1 1 51 51 THR H H 1 7.391 0.020 . 1 . . . . 51 THR H . 16882 1 586 . 1 1 51 51 THR HA H 1 5.508 0.020 . 1 . . . . 51 THR HA . 16882 1 587 . 1 1 51 51 THR HB H 1 3.773 0.020 . 1 . . . . 51 THR HB . 16882 1 588 . 1 1 51 51 THR HG21 H 1 1.003 0.020 . 1 . . . . 51 THR HG21 . 16882 1 589 . 1 1 51 51 THR HG22 H 1 1.003 0.020 . 1 . . . . 51 THR HG22 . 16882 1 590 . 1 1 51 51 THR HG23 H 1 1.003 0.020 . 1 . . . . 51 THR HG23 . 16882 1 591 . 1 1 51 51 THR C C 13 174.843 0.400 . 1 . . . . 51 THR C . 16882 1 592 . 1 1 51 51 THR CA C 13 62.051 0.400 . 1 . . . . 51 THR CA . 16882 1 593 . 1 1 51 51 THR CB C 13 71.894 0.400 . 1 . . . . 51 THR CB . 16882 1 594 . 1 1 51 51 THR CG2 C 13 20.593 0.400 . 1 . . . . 51 THR CG2 . 16882 1 595 . 1 1 51 51 THR N N 15 111.156 0.400 . 1 . . . . 51 THR N . 16882 1 596 . 1 1 52 52 PHE H H 1 10.393 0.020 . 1 . . . . 52 PHE H . 16882 1 597 . 1 1 52 52 PHE HA H 1 5.687 0.020 . 1 . . . . 52 PHE HA . 16882 1 598 . 1 1 52 52 PHE HB2 H 1 3.238 0.020 . 2 . . . . 52 PHE HB2 . 16882 1 599 . 1 1 52 52 PHE HB3 H 1 3.302 0.020 . 2 . . . . 52 PHE HB3 . 16882 1 600 . 1 1 52 52 PHE HD1 H 1 7.820 0.020 . 1 . . . . 52 PHE HD1 . 16882 1 601 . 1 1 52 52 PHE HD2 H 1 7.820 0.020 . 1 . . . . 52 PHE HD2 . 16882 1 602 . 1 1 52 52 PHE HE1 H 1 7.159 0.020 . 1 . . . . 52 PHE HE1 . 16882 1 603 . 1 1 52 52 PHE HE2 H 1 7.159 0.020 . 1 . . . . 52 PHE HE2 . 16882 1 604 . 1 1 52 52 PHE HZ H 1 7.002 0.020 . 1 . . . . 52 PHE HZ . 16882 1 605 . 1 1 52 52 PHE C C 13 174.566 0.400 . 1 . . . . 52 PHE C . 16882 1 606 . 1 1 52 52 PHE CA C 13 57.113 0.400 . 1 . . . . 52 PHE CA . 16882 1 607 . 1 1 52 52 PHE CB C 13 42.548 0.400 . 1 . . . . 52 PHE CB . 16882 1 608 . 1 1 52 52 PHE CD1 C 13 131.892 0.400 . 1 . . . . 52 PHE CD1 . 16882 1 609 . 1 1 52 52 PHE CE1 C 13 131.387 0.400 . 1 . . . . 52 PHE CE1 . 16882 1 610 . 1 1 52 52 PHE CZ C 13 130.882 0.400 . 1 . . . . 52 PHE CZ . 16882 1 611 . 1 1 52 52 PHE N N 15 130.896 0.400 . 1 . . . . 52 PHE N . 16882 1 612 . 1 1 53 53 THR H H 1 9.118 0.020 . 1 . . . . 53 THR H . 16882 1 613 . 1 1 53 53 THR HA H 1 5.224 0.020 . 1 . . . . 53 THR HA . 16882 1 614 . 1 1 53 53 THR HB H 1 3.832 0.020 . 1 . . . . 53 THR HB . 16882 1 615 . 1 1 53 53 THR HG21 H 1 0.966 0.020 . 1 . . . . 53 THR HG21 . 16882 1 616 . 1 1 53 53 THR HG22 H 1 0.966 0.020 . 1 . . . . 53 THR HG22 . 16882 1 617 . 1 1 53 53 THR HG23 H 1 0.966 0.020 . 1 . . . . 53 THR HG23 . 16882 1 618 . 1 1 53 53 THR C C 13 172.618 0.400 . 1 . . . . 53 THR C . 16882 1 619 . 1 1 53 53 THR CA C 13 61.517 0.400 . 1 . . . . 53 THR CA . 16882 1 620 . 1 1 53 53 THR CB C 13 70.887 0.400 . 1 . . . . 53 THR CB . 16882 1 621 . 1 1 53 53 THR CG2 C 13 20.302 0.400 . 1 . . . . 53 THR CG2 . 16882 1 622 . 1 1 53 53 THR N N 15 117.108 0.400 . 1 . . . . 53 THR N . 16882 1 623 . 1 1 54 54 VAL H H 1 8.203 0.020 . 1 . . . . 54 VAL H . 16882 1 624 . 1 1 54 54 VAL HA H 1 4.491 0.020 . 1 . . . . 54 VAL HA . 16882 1 625 . 1 1 54 54 VAL HB H 1 -0.273 0.020 . 1 . . . . 54 VAL HB . 16882 1 626 . 1 1 54 54 VAL HG11 H 1 -0.307 0.020 . 2 . . . . 54 VAL HG11 . 16882 1 627 . 1 1 54 54 VAL HG12 H 1 -0.307 0.020 . 2 . . . . 54 VAL HG12 . 16882 1 628 . 1 1 54 54 VAL HG13 H 1 -0.307 0.020 . 2 . . . . 54 VAL HG13 . 16882 1 629 . 1 1 54 54 VAL HG21 H 1 0.388 0.020 . 2 . . . . 54 VAL HG21 . 16882 1 630 . 1 1 54 54 VAL HG22 H 1 0.388 0.020 . 2 . . . . 54 VAL HG22 . 16882 1 631 . 1 1 54 54 VAL HG23 H 1 0.388 0.020 . 2 . . . . 54 VAL HG23 . 16882 1 632 . 1 1 54 54 VAL C C 13 173.263 0.400 . 1 . . . . 54 VAL C . 16882 1 633 . 1 1 54 54 VAL CA C 13 57.810 0.400 . 1 . . . . 54 VAL CA . 16882 1 634 . 1 1 54 54 VAL CB C 13 32.291 0.400 . 1 . . . . 54 VAL CB . 16882 1 635 . 1 1 54 54 VAL CG1 C 13 20.591 0.400 . 1 . . . . 54 VAL CG1 . 16882 1 636 . 1 1 54 54 VAL CG2 C 13 19.558 0.400 . 1 . . . . 54 VAL CG2 . 16882 1 637 . 1 1 54 54 VAL N N 15 123.283 0.400 . 1 . . . . 54 VAL N . 16882 1 638 . 1 1 55 55 THR H H 1 8.356 0.020 . 1 . . . . 55 THR H . 16882 1 639 . 1 1 55 55 THR HA H 1 4.708 0.020 . 1 . . . . 55 THR HA . 16882 1 640 . 1 1 55 55 THR HB H 1 3.840 0.020 . 1 . . . . 55 THR HB . 16882 1 641 . 1 1 55 55 THR HG21 H 1 1.176 0.020 . 1 . . . . 55 THR HG21 . 16882 1 642 . 1 1 55 55 THR HG22 H 1 1.176 0.020 . 1 . . . . 55 THR HG22 . 16882 1 643 . 1 1 55 55 THR HG23 H 1 1.176 0.020 . 1 . . . . 55 THR HG23 . 16882 1 644 . 1 1 55 55 THR C C 13 174.496 0.400 . 1 . . . . 55 THR C . 16882 1 645 . 1 1 55 55 THR CA C 13 60.755 0.400 . 1 . . . . 55 THR CA . 16882 1 646 . 1 1 55 55 THR CB C 13 70.300 0.400 . 1 . . . . 55 THR CB . 16882 1 647 . 1 1 55 55 THR CG2 C 13 21.123 0.400 . 1 . . . . 55 THR CG2 . 16882 1 648 . 1 1 55 55 THR N N 15 123.281 0.400 . 1 . . . . 55 THR N . 16882 1 649 . 1 1 56 56 GLU H H 1 8.139 0.020 . 1 . . . . 56 GLU H . 16882 1 650 . 1 1 56 56 GLU HA H 1 4.581 0.020 . 1 . . . . 56 GLU HA . 16882 1 651 . 1 1 56 56 GLU HB2 H 1 2.030 0.020 . 2 . . . . 56 GLU HB2 . 16882 1 652 . 1 1 56 56 GLU HB3 H 1 2.189 0.020 . 2 . . . . 56 GLU HB3 . 16882 1 653 . 1 1 56 56 GLU HG2 H 1 2.424 0.020 . 1 . . . . 56 GLU HG2 . 16882 1 654 . 1 1 56 56 GLU HG3 H 1 2.424 0.020 . 1 . . . . 56 GLU HG3 . 16882 1 655 . 1 1 56 56 GLU C C 13 176.068 0.400 . 1 . . . . 56 GLU C . 16882 1 656 . 1 1 56 56 GLU CA C 13 56.098 0.400 . 1 . . . . 56 GLU CA . 16882 1 657 . 1 1 56 56 GLU CB C 13 31.924 0.400 . 1 . . . . 56 GLU CB . 16882 1 658 . 1 1 56 56 GLU CG C 13 36.651 0.400 . 1 . . . . 56 GLU CG . 16882 1 659 . 1 1 56 56 GLU N N 15 128.933 0.400 . 1 . . . . 56 GLU N . 16882 1 660 . 1 1 57 57 GLY H H 1 8.788 0.020 . 1 . . . . 57 GLY H . 16882 1 661 . 1 1 57 57 GLY HA2 H 1 4.113 0.020 . 2 . . . . 57 GLY HA2 . 16882 1 662 . 1 1 57 57 GLY HA3 H 1 3.930 0.020 . 2 . . . . 57 GLY HA3 . 16882 1 663 . 1 1 57 57 GLY C C 13 173.645 0.400 . 1 . . . . 57 GLY C . 16882 1 664 . 1 1 57 57 GLY CA C 13 44.911 0.400 . 1 . . . . 57 GLY CA . 16882 1 665 . 1 1 57 57 GLY N N 15 112.353 0.400 . 1 . . . . 57 GLY N . 16882 1 666 . 1 1 58 58 SER H H 1 8.347 0.020 . 1 . . . . 58 SER H . 16882 1 667 . 1 1 58 58 SER HA H 1 4.493 0.020 . 1 . . . . 58 SER HA . 16882 1 668 . 1 1 58 58 SER HB2 H 1 3.839 0.020 . 2 . . . . 58 SER HB2 . 16882 1 669 . 1 1 58 58 SER HB3 H 1 3.876 0.020 . 2 . . . . 58 SER HB3 . 16882 1 670 . 1 1 58 58 SER C C 13 174.375 0.400 . 1 . . . . 58 SER C . 16882 1 671 . 1 1 58 58 SER CA C 13 57.935 0.400 . 1 . . . . 58 SER CA . 16882 1 672 . 1 1 58 58 SER CB C 13 63.634 0.400 . 1 . . . . 58 SER CB . 16882 1 673 . 1 1 58 58 SER N N 15 115.185 0.400 . 1 . . . . 58 SER N . 16882 1 674 . 1 1 59 59 ASP H H 1 8.526 0.020 . 1 . . . . 59 ASP H . 16882 1 675 . 1 1 59 59 ASP HA H 1 4.634 0.020 . 1 . . . . 59 ASP HA . 16882 1 676 . 1 1 59 59 ASP HB2 H 1 2.615 0.020 . 2 . . . . 59 ASP HB2 . 16882 1 677 . 1 1 59 59 ASP HB3 H 1 2.712 0.020 . 2 . . . . 59 ASP HB3 . 16882 1 678 . 1 1 59 59 ASP C C 13 176.118 0.400 . 1 . . . . 59 ASP C . 16882 1 679 . 1 1 59 59 ASP CA C 13 54.309 0.400 . 1 . . . . 59 ASP CA . 16882 1 680 . 1 1 59 59 ASP CB C 13 41.098 0.400 . 1 . . . . 59 ASP CB . 16882 1 681 . 1 1 59 59 ASP N N 15 122.587 0.400 . 1 . . . . 59 ASP N . 16882 1 682 . 1 1 60 60 GLU H H 1 8.387 0.020 . 1 . . . . 60 GLU H . 16882 1 683 . 1 1 60 60 GLU HA H 1 4.257 0.020 . 1 . . . . 60 GLU HA . 16882 1 684 . 1 1 60 60 GLU HB2 H 1 1.913 0.020 . 2 . . . . 60 GLU HB2 . 16882 1 685 . 1 1 60 60 GLU HB3 H 1 2.015 0.020 . 2 . . . . 60 GLU HB3 . 16882 1 686 . 1 1 60 60 GLU HG2 H 1 2.213 0.020 . 2 . . . . 60 GLU HG2 . 16882 1 687 . 1 1 60 60 GLU HG3 H 1 2.262 0.020 . 2 . . . . 60 GLU HG3 . 16882 1 688 . 1 1 60 60 GLU C C 13 176.260 0.400 . 1 . . . . 60 GLU C . 16882 1 689 . 1 1 60 60 GLU CA C 13 56.323 0.400 . 1 . . . . 60 GLU CA . 16882 1 690 . 1 1 60 60 GLU CB C 13 30.146 0.400 . 1 . . . . 60 GLU CB . 16882 1 691 . 1 1 60 60 GLU CG C 13 36.104 0.400 . 1 . . . . 60 GLU CG . 16882 1 692 . 1 1 60 60 GLU N N 15 121.386 0.400 . 1 . . . . 60 GLU N . 16882 1 693 . 1 1 61 61 LYS H H 1 8.337 0.020 . 1 . . . . 61 LYS H . 16882 1 694 . 1 1 61 61 LYS HA H 1 4.313 0.020 . 1 . . . . 61 LYS HA . 16882 1 695 . 1 1 61 61 LYS HB2 H 1 1.756 0.020 . 1 . . . . 61 LYS HB2 . 16882 1 696 . 1 1 61 61 LYS HB3 H 1 1.756 0.020 . 1 . . . . 61 LYS HB3 . 16882 1 697 . 1 1 61 61 LYS HD2 H 1 1.656 0.020 . 1 . . . . 61 LYS HD2 . 16882 1 698 . 1 1 61 61 LYS HD3 H 1 1.656 0.020 . 1 . . . . 61 LYS HD3 . 16882 1 699 . 1 1 61 61 LYS HE2 H 1 2.985 0.020 . 1 . . . . 61 LYS HE2 . 16882 1 700 . 1 1 61 61 LYS HE3 H 1 2.985 0.020 . 1 . . . . 61 LYS HE3 . 16882 1 701 . 1 1 61 61 LYS HG2 H 1 1.376 0.020 . 2 . . . . 61 LYS HG2 . 16882 1 702 . 1 1 61 61 LYS HG3 H 1 1.421 0.020 . 2 . . . . 61 LYS HG3 . 16882 1 703 . 1 1 61 61 LYS C C 13 176.175 0.400 . 1 . . . . 61 LYS C . 16882 1 704 . 1 1 61 61 LYS CA C 13 56.122 0.400 . 1 . . . . 61 LYS CA . 16882 1 705 . 1 1 61 61 LYS CB C 13 32.728 0.400 . 1 . . . . 61 LYS CB . 16882 1 706 . 1 1 61 61 LYS CD C 13 28.923 0.400 . 1 . . . . 61 LYS CD . 16882 1 707 . 1 1 61 61 LYS CE C 13 41.875 0.400 . 1 . . . . 61 LYS CE . 16882 1 708 . 1 1 61 61 LYS CG C 13 24.779 0.400 . 1 . . . . 61 LYS CG . 16882 1 709 . 1 1 61 61 LYS N N 15 122.684 0.400 . 1 . . . . 61 LYS N . 16882 1 710 . 1 1 62 62 ILE H H 1 8.193 0.020 . 1 . . . . 62 ILE H . 16882 1 711 . 1 1 62 62 ILE HA H 1 4.069 0.020 . 1 . . . . 62 ILE HA . 16882 1 712 . 1 1 62 62 ILE HB H 1 1.644 0.020 . 1 . . . . 62 ILE HB . 16882 1 713 . 1 1 62 62 ILE HD11 H 1 0.798 0.020 . 1 . . . . 62 ILE HD11 . 16882 1 714 . 1 1 62 62 ILE HD12 H 1 0.798 0.020 . 1 . . . . 62 ILE HD12 . 16882 1 715 . 1 1 62 62 ILE HD13 H 1 0.798 0.020 . 1 . . . . 62 ILE HD13 . 16882 1 716 . 1 1 62 62 ILE HG12 H 1 1.031 0.020 . 2 . . . . 62 ILE HG12 . 16882 1 717 . 1 1 62 62 ILE HG13 H 1 1.429 0.020 . 2 . . . . 62 ILE HG13 . 16882 1 718 . 1 1 62 62 ILE HG21 H 1 0.532 0.020 . 1 . . . . 62 ILE HG21 . 16882 1 719 . 1 1 62 62 ILE HG22 H 1 0.532 0.020 . 1 . . . . 62 ILE HG22 . 16882 1 720 . 1 1 62 62 ILE HG23 H 1 0.532 0.020 . 1 . . . . 62 ILE HG23 . 16882 1 721 . 1 1 62 62 ILE C C 13 175.750 0.400 . 1 . . . . 62 ILE C . 16882 1 722 . 1 1 62 62 ILE CA C 13 60.784 0.400 . 1 . . . . 62 ILE CA . 16882 1 723 . 1 1 62 62 ILE CB C 13 38.748 0.400 . 1 . . . . 62 ILE CB . 16882 1 724 . 1 1 62 62 ILE CD1 C 13 13.098 0.400 . 1 . . . . 62 ILE CD1 . 16882 1 725 . 1 1 62 62 ILE CG1 C 13 27.311 0.400 . 1 . . . . 62 ILE CG1 . 16882 1 726 . 1 1 62 62 ILE CG2 C 13 17.231 0.400 . 1 . . . . 62 ILE CG2 . 16882 1 727 . 1 1 62 62 ILE N N 15 123.434 0.400 . 1 . . . . 62 ILE N . 16882 1 728 . 1 1 63 63 THR H H 1 8.116 0.020 . 1 . . . . 63 THR H . 16882 1 729 . 1 1 63 63 THR HA H 1 4.290 0.020 . 1 . . . . 63 THR HA . 16882 1 730 . 1 1 63 63 THR HB H 1 4.012 0.020 . 1 . . . . 63 THR HB . 16882 1 731 . 1 1 63 63 THR HG21 H 1 1.072 0.020 . 1 . . . . 63 THR HG21 . 16882 1 732 . 1 1 63 63 THR HG22 H 1 1.072 0.020 . 1 . . . . 63 THR HG22 . 16882 1 733 . 1 1 63 63 THR HG23 H 1 1.072 0.020 . 1 . . . . 63 THR HG23 . 16882 1 734 . 1 1 63 63 THR C C 13 173.234 0.400 . 1 . . . . 63 THR C . 16882 1 735 . 1 1 63 63 THR CA C 13 61.015 0.400 . 1 . . . . 63 THR CA . 16882 1 736 . 1 1 63 63 THR CB C 13 69.592 0.400 . 1 . . . . 63 THR CB . 16882 1 737 . 1 1 63 63 THR CG2 C 13 21.411 0.400 . 1 . . . . 63 THR CG2 . 16882 1 738 . 1 1 63 63 THR N N 15 120.429 0.400 . 1 . . . . 63 THR N . 16882 1 739 . 1 1 64 64 PHE H H 1 8.286 0.020 . 1 . . . . 64 PHE H . 16882 1 740 . 1 1 64 64 PHE HA H 1 4.297 0.020 . 1 . . . . 64 PHE HA . 16882 1 741 . 1 1 64 64 PHE HB2 H 1 2.672 0.020 . 2 . . . . 64 PHE HB2 . 16882 1 742 . 1 1 64 64 PHE HB3 H 1 2.810 0.020 . 2 . . . . 64 PHE HB3 . 16882 1 743 . 1 1 64 64 PHE HD1 H 1 6.997 0.020 . 1 . . . . 64 PHE HD1 . 16882 1 744 . 1 1 64 64 PHE HD2 H 1 6.997 0.020 . 1 . . . . 64 PHE HD2 . 16882 1 745 . 1 1 64 64 PHE HE1 H 1 6.907 0.020 . 1 . . . . 64 PHE HE1 . 16882 1 746 . 1 1 64 64 PHE HE2 H 1 6.907 0.020 . 1 . . . . 64 PHE HE2 . 16882 1 747 . 1 1 64 64 PHE HZ H 1 6.915 0.020 . 1 . . . . 64 PHE HZ . 16882 1 748 . 1 1 64 64 PHE C C 13 173.752 0.400 . 1 . . . . 64 PHE C . 16882 1 749 . 1 1 64 64 PHE CA C 13 55.795 0.400 . 1 . . . . 64 PHE CA . 16882 1 750 . 1 1 64 64 PHE CB C 13 39.496 0.400 . 1 . . . . 64 PHE CB . 16882 1 751 . 1 1 64 64 PHE CD1 C 13 131.387 0.400 . 1 . . . . 64 PHE CD1 . 16882 1 752 . 1 1 64 64 PHE CE1 C 13 130.882 0.400 . 1 . . . . 64 PHE CE1 . 16882 1 753 . 1 1 64 64 PHE CZ C 13 129.367 0.400 . 1 . . . . 64 PHE CZ . 16882 1 754 . 1 1 64 64 PHE N N 15 123.933 0.400 . 1 . . . . 64 PHE N . 16882 1 755 . 1 1 65 65 PRO HA H 1 4.148 0.020 . 1 . . . . 65 PRO HA . 16882 1 756 . 1 1 65 65 PRO HB2 H 1 1.666 0.020 . 2 . . . . 65 PRO HB2 . 16882 1 757 . 1 1 65 65 PRO HB3 H 1 1.952 0.020 . 2 . . . . 65 PRO HB3 . 16882 1 758 . 1 1 65 65 PRO HD2 H 1 2.586 0.020 . 2 . . . . 65 PRO HD2 . 16882 1 759 . 1 1 65 65 PRO HD3 H 1 2.856 0.020 . 2 . . . . 65 PRO HD3 . 16882 1 760 . 1 1 65 65 PRO HG2 H 1 1.295 0.020 . 1 . . . . 65 PRO HG2 . 16882 1 761 . 1 1 65 65 PRO HG3 H 1 1.295 0.020 . 1 . . . . 65 PRO HG3 . 16882 1 762 . 1 1 65 65 PRO C C 13 176.812 0.400 . 1 . . . . 65 PRO C . 16882 1 763 . 1 1 65 65 PRO CA C 13 62.598 0.400 . 1 . . . . 65 PRO CA . 16882 1 764 . 1 1 65 65 PRO CB C 13 31.737 0.400 . 1 . . . . 65 PRO CB . 16882 1 765 . 1 1 65 65 PRO CD C 13 49.872 0.400 . 1 . . . . 65 PRO CD . 16882 1 766 . 1 1 65 65 PRO CG C 13 27.074 0.400 . 1 . . . . 65 PRO CG . 16882 1 767 . 1 1 66 66 SER H H 1 8.185 0.020 . 1 . . . . 66 SER H . 16882 1 768 . 1 1 66 66 SER HA H 1 4.081 0.020 . 1 . . . . 66 SER HA . 16882 1 769 . 1 1 66 66 SER HB2 H 1 3.764 0.020 . 2 . . . . 66 SER HB2 . 16882 1 770 . 1 1 66 66 SER HB3 H 1 3.828 0.020 . 2 . . . . 66 SER HB3 . 16882 1 771 . 1 1 66 66 SER C C 13 174.283 0.400 . 1 . . . . 66 SER C . 16882 1 772 . 1 1 66 66 SER CA C 13 59.748 0.400 . 1 . . . . 66 SER CA . 16882 1 773 . 1 1 66 66 SER CB C 13 63.116 0.400 . 1 . . . . 66 SER CB . 16882 1 774 . 1 1 66 66 SER N N 15 114.683 0.400 . 1 . . . . 66 SER N . 16882 1 775 . 1 1 67 67 ASP H H 1 8.274 0.020 . 1 . . . . 67 ASP H . 16882 1 776 . 1 1 67 67 ASP HA H 1 4.519 0.020 . 1 . . . . 67 ASP HA . 16882 1 777 . 1 1 67 67 ASP HB2 H 1 2.613 0.020 . 2 . . . . 67 ASP HB2 . 16882 1 778 . 1 1 67 67 ASP HB3 H 1 2.733 0.020 . 2 . . . . 67 ASP HB3 . 16882 1 779 . 1 1 67 67 ASP C C 13 175.346 0.400 . 1 . . . . 67 ASP C . 16882 1 780 . 1 1 67 67 ASP CA C 13 53.791 0.400 . 1 . . . . 67 ASP CA . 16882 1 781 . 1 1 67 67 ASP CB C 13 40.062 0.400 . 1 . . . . 67 ASP CB . 16882 1 782 . 1 1 67 67 ASP N N 15 117.810 0.400 . 1 . . . . 67 ASP N . 16882 1 783 . 1 1 68 68 ILE H H 1 7.393 0.020 . 1 . . . . 68 ILE H . 16882 1 784 . 1 1 68 68 ILE HA H 1 4.203 0.020 . 1 . . . . 68 ILE HA . 16882 1 785 . 1 1 68 68 ILE HB H 1 1.760 0.020 . 1 . . . . 68 ILE HB . 16882 1 786 . 1 1 68 68 ILE HD11 H 1 0.786 0.020 . 1 . . . . 68 ILE HD11 . 16882 1 787 . 1 1 68 68 ILE HD12 H 1 0.786 0.020 . 1 . . . . 68 ILE HD12 . 16882 1 788 . 1 1 68 68 ILE HD13 H 1 0.786 0.020 . 1 . . . . 68 ILE HD13 . 16882 1 789 . 1 1 68 68 ILE HG12 H 1 1.179 0.020 . 2 . . . . 68 ILE HG12 . 16882 1 790 . 1 1 68 68 ILE HG13 H 1 1.299 0.020 . 2 . . . . 68 ILE HG13 . 16882 1 791 . 1 1 68 68 ILE HG21 H 1 0.752 0.020 . 1 . . . . 68 ILE HG21 . 16882 1 792 . 1 1 68 68 ILE HG22 H 1 0.752 0.020 . 1 . . . . 68 ILE HG22 . 16882 1 793 . 1 1 68 68 ILE HG23 H 1 0.752 0.020 . 1 . . . . 68 ILE HG23 . 16882 1 794 . 1 1 68 68 ILE C C 13 174.070 0.400 . 1 . . . . 68 ILE C . 16882 1 795 . 1 1 68 68 ILE CA C 13 59.230 0.400 . 1 . . . . 68 ILE CA . 16882 1 796 . 1 1 68 68 ILE CB C 13 38.981 0.400 . 1 . . . . 68 ILE CB . 16882 1 797 . 1 1 68 68 ILE CD1 C 13 12.288 0.400 . 1 . . . . 68 ILE CD1 . 16882 1 798 . 1 1 68 68 ILE CG1 C 13 27.345 0.400 . 1 . . . . 68 ILE CG1 . 16882 1 799 . 1 1 68 68 ILE CG2 C 13 16.960 0.400 . 1 . . . . 68 ILE CG2 . 16882 1 800 . 1 1 68 68 ILE N N 15 119.434 0.400 . 1 . . . . 68 ILE N . 16882 1 801 . 1 1 69 69 ASP H H 1 8.381 0.020 . 1 . . . . 69 ASP H . 16882 1 802 . 1 1 69 69 ASP HA H 1 4.801 0.020 . 1 . . . . 69 ASP HA . 16882 1 803 . 1 1 69 69 ASP HB2 H 1 2.630 0.020 . 2 . . . . 69 ASP HB2 . 16882 1 804 . 1 1 69 69 ASP HB3 H 1 2.799 0.020 . 2 . . . . 69 ASP HB3 . 16882 1 805 . 1 1 69 69 ASP C C 13 175.509 0.400 . 1 . . . . 69 ASP C . 16882 1 806 . 1 1 69 69 ASP CA C 13 51.159 0.400 . 1 . . . . 69 ASP CA . 16882 1 807 . 1 1 69 69 ASP CB C 13 41.802 0.400 . 1 . . . . 69 ASP CB . 16882 1 808 . 1 1 69 69 ASP N N 15 127.433 0.400 . 1 . . . . 69 ASP N . 16882 1 809 . 1 1 70 70 PRO HA H 1 3.780 0.020 . 1 . . . . 70 PRO HA . 16882 1 810 . 1 1 70 70 PRO HB2 H 1 1.956 0.020 . 2 . . . . 70 PRO HB2 . 16882 1 811 . 1 1 70 70 PRO HB3 H 1 1.999 0.020 . 2 . . . . 70 PRO HB3 . 16882 1 812 . 1 1 70 70 PRO HD2 H 1 3.814 0.020 . 2 . . . . 70 PRO HD2 . 16882 1 813 . 1 1 70 70 PRO HD3 H 1 3.964 0.020 . 2 . . . . 70 PRO HD3 . 16882 1 814 . 1 1 70 70 PRO HG2 H 1 1.639 0.020 . 2 . . . . 70 PRO HG2 . 16882 1 815 . 1 1 70 70 PRO HG3 H 1 2.040 0.020 . 2 . . . . 70 PRO HG3 . 16882 1 816 . 1 1 70 70 PRO C C 13 177.025 0.400 . 1 . . . . 70 PRO C . 16882 1 817 . 1 1 70 70 PRO CA C 13 64.851 0.400 . 1 . . . . 70 PRO CA . 16882 1 818 . 1 1 70 70 PRO CB C 13 31.960 0.400 . 1 . . . . 70 PRO CB . 16882 1 819 . 1 1 70 70 PRO CD C 13 50.869 0.400 . 1 . . . . 70 PRO CD . 16882 1 820 . 1 1 70 70 PRO CG C 13 27.297 0.400 . 1 . . . . 70 PRO CG . 16882 1 821 . 1 1 71 71 GLN H H 1 8.263 0.020 . 1 . . . . 71 GLN H . 16882 1 822 . 1 1 71 71 GLN HA H 1 4.120 0.020 . 1 . . . . 71 GLN HA . 16882 1 823 . 1 1 71 71 GLN HB2 H 1 2.093 0.020 . 1 . . . . 71 GLN HB2 . 16882 1 824 . 1 1 71 71 GLN HB3 H 1 2.093 0.020 . 1 . . . . 71 GLN HB3 . 16882 1 825 . 1 1 71 71 GLN HE21 H 1 6.851 0.020 . 2 . . . . 71 GLN HE21 . 16882 1 826 . 1 1 71 71 GLN HE22 H 1 7.796 0.020 . 2 . . . . 71 GLN HE22 . 16882 1 827 . 1 1 71 71 GLN HG2 H 1 2.402 0.020 . 2 . . . . 71 GLN HG2 . 16882 1 828 . 1 1 71 71 GLN HG3 H 1 2.458 0.020 . 2 . . . . 71 GLN HG3 . 16882 1 829 . 1 1 71 71 GLN C C 13 178.477 0.400 . 1 . . . . 71 GLN C . 16882 1 830 . 1 1 71 71 GLN CA C 13 58.390 0.400 . 1 . . . . 71 GLN CA . 16882 1 831 . 1 1 71 71 GLN CB C 13 28.333 0.400 . 1 . . . . 71 GLN CB . 16882 1 832 . 1 1 71 71 GLN CG C 13 34.347 0.400 . 1 . . . . 71 GLN CG . 16882 1 833 . 1 1 71 71 GLN N N 15 114.435 0.400 . 1 . . . . 71 GLN N . 16882 1 834 . 1 1 71 71 GLN NE2 N 15 112.579 0.400 . 1 . . . . 71 GLN NE2 . 16882 1 835 . 1 1 72 72 VAL H H 1 7.347 0.020 . 1 . . . . 72 VAL H . 16882 1 836 . 1 1 72 72 VAL HA H 1 3.770 0.020 . 1 . . . . 72 VAL HA . 16882 1 837 . 1 1 72 72 VAL HB H 1 2.235 0.020 . 1 . . . . 72 VAL HB . 16882 1 838 . 1 1 72 72 VAL HG11 H 1 0.943 0.020 . 2 . . . . 72 VAL HG11 . 16882 1 839 . 1 1 72 72 VAL HG12 H 1 0.943 0.020 . 2 . . . . 72 VAL HG12 . 16882 1 840 . 1 1 72 72 VAL HG13 H 1 0.943 0.020 . 2 . . . . 72 VAL HG13 . 16882 1 841 . 1 1 72 72 VAL HG21 H 1 1.015 0.020 . 2 . . . . 72 VAL HG21 . 16882 1 842 . 1 1 72 72 VAL HG22 H 1 1.015 0.020 . 2 . . . . 72 VAL HG22 . 16882 1 843 . 1 1 72 72 VAL HG23 H 1 1.015 0.020 . 2 . . . . 72 VAL HG23 . 16882 1 844 . 1 1 72 72 VAL C C 13 178.342 0.400 . 1 . . . . 72 VAL C . 16882 1 845 . 1 1 72 72 VAL CA C 13 64.819 0.400 . 1 . . . . 72 VAL CA . 16882 1 846 . 1 1 72 72 VAL CB C 13 31.930 0.400 . 1 . . . . 72 VAL CB . 16882 1 847 . 1 1 72 72 VAL CG1 C 13 20.893 0.400 . 1 . . . . 72 VAL CG1 . 16882 1 848 . 1 1 72 72 VAL CG2 C 13 22.164 0.400 . 1 . . . . 72 VAL CG2 . 16882 1 849 . 1 1 72 72 VAL N N 15 117.934 0.400 . 1 . . . . 72 VAL N . 16882 1 850 . 1 1 73 73 PHE H H 1 7.829 0.020 . 1 . . . . 73 PHE H . 16882 1 851 . 1 1 73 73 PHE HA H 1 3.956 0.020 . 1 . . . . 73 PHE HA . 16882 1 852 . 1 1 73 73 PHE HB2 H 1 2.793 0.020 . 2 . . . . 73 PHE HB2 . 16882 1 853 . 1 1 73 73 PHE HB3 H 1 2.852 0.020 . 2 . . . . 73 PHE HB3 . 16882 1 854 . 1 1 73 73 PHE HD1 H 1 6.551 0.020 . 1 . . . . 73 PHE HD1 . 16882 1 855 . 1 1 73 73 PHE HD2 H 1 6.551 0.020 . 1 . . . . 73 PHE HD2 . 16882 1 856 . 1 1 73 73 PHE HE1 H 1 7.171 0.020 . 1 . . . . 73 PHE HE1 . 16882 1 857 . 1 1 73 73 PHE HE2 H 1 7.171 0.020 . 1 . . . . 73 PHE HE2 . 16882 1 858 . 1 1 73 73 PHE HZ H 1 7.182 0.020 . 1 . . . . 73 PHE HZ . 16882 1 859 . 1 1 73 73 PHE C C 13 176.741 0.400 . 1 . . . . 73 PHE C . 16882 1 860 . 1 1 73 73 PHE CA C 13 61.255 0.400 . 1 . . . . 73 PHE CA . 16882 1 861 . 1 1 73 73 PHE CB C 13 39.504 0.400 . 1 . . . . 73 PHE CB . 16882 1 862 . 1 1 73 73 PHE CD1 C 13 131.387 0.400 . 1 . . . . 73 PHE CD1 . 16882 1 863 . 1 1 73 73 PHE CE1 C 13 131.387 0.400 . 1 . . . . 73 PHE CE1 . 16882 1 864 . 1 1 73 73 PHE CZ C 13 129.367 0.400 . 1 . . . . 73 PHE CZ . 16882 1 865 . 1 1 73 73 PHE N N 15 120.419 0.400 . 1 . . . . 73 PHE N . 16882 1 866 . 1 1 74 74 TYR H H 1 8.073 0.020 . 1 . . . . 74 TYR H . 16882 1 867 . 1 1 74 74 TYR HA H 1 4.294 0.020 . 1 . . . . 74 TYR HA . 16882 1 868 . 1 1 74 74 TYR HB2 H 1 2.920 0.020 . 2 . . . . 74 TYR HB2 . 16882 1 869 . 1 1 74 74 TYR HB3 H 1 3.311 0.020 . 2 . . . . 74 TYR HB3 . 16882 1 870 . 1 1 74 74 TYR HD1 H 1 7.335 0.020 . 1 . . . . 74 TYR HD1 . 16882 1 871 . 1 1 74 74 TYR HD2 H 1 7.335 0.020 . 1 . . . . 74 TYR HD2 . 16882 1 872 . 1 1 74 74 TYR HE1 H 1 6.969 0.020 . 1 . . . . 74 TYR HE1 . 16882 1 873 . 1 1 74 74 TYR HE2 H 1 6.969 0.020 . 1 . . . . 74 TYR HE2 . 16882 1 874 . 1 1 74 74 TYR C C 13 176.416 0.400 . 1 . . . . 74 TYR C . 16882 1 875 . 1 1 74 74 TYR CA C 13 60.230 0.400 . 1 . . . . 74 TYR CA . 16882 1 876 . 1 1 74 74 TYR CB C 13 37.176 0.400 . 1 . . . . 74 TYR CB . 16882 1 877 . 1 1 74 74 TYR CD1 C 13 133.407 0.400 . 1 . . . . 74 TYR CD1 . 16882 1 878 . 1 1 74 74 TYR CE1 C 13 117.754 0.400 . 1 . . . . 74 TYR CE1 . 16882 1 879 . 1 1 74 74 TYR N N 15 113.185 0.400 . 1 . . . . 74 TYR N . 16882 1 880 . 1 1 75 75 GLU H H 1 7.420 0.020 . 1 . . . . 75 GLU H . 16882 1 881 . 1 1 75 75 GLU HA H 1 4.314 0.020 . 1 . . . . 75 GLU HA . 16882 1 882 . 1 1 75 75 GLU HB2 H 1 2.013 0.020 . 2 . . . . 75 GLU HB2 . 16882 1 883 . 1 1 75 75 GLU HB3 H 1 2.188 0.020 . 2 . . . . 75 GLU HB3 . 16882 1 884 . 1 1 75 75 GLU HG2 H 1 2.288 0.020 . 2 . . . . 75 GLU HG2 . 16882 1 885 . 1 1 75 75 GLU HG3 H 1 2.513 0.020 . 2 . . . . 75 GLU HG3 . 16882 1 886 . 1 1 75 75 GLU C C 13 177.308 0.400 . 1 . . . . 75 GLU C . 16882 1 887 . 1 1 75 75 GLU CA C 13 56.122 0.400 . 1 . . . . 75 GLU CA . 16882 1 888 . 1 1 75 75 GLU CB C 13 30.128 0.400 . 1 . . . . 75 GLU CB . 16882 1 889 . 1 1 75 75 GLU CG C 13 36.687 0.400 . 1 . . . . 75 GLU CG . 16882 1 890 . 1 1 75 75 GLU N N 15 116.866 0.400 . 1 . . . . 75 GLU N . 16882 1 891 . 1 1 76 76 LEU H H 1 7.413 0.020 . 1 . . . . 76 LEU H . 16882 1 892 . 1 1 76 76 LEU HA H 1 4.405 0.020 . 1 . . . . 76 LEU HA . 16882 1 893 . 1 1 76 76 LEU HB2 H 1 1.026 0.020 . 2 . . . . 76 LEU HB2 . 16882 1 894 . 1 1 76 76 LEU HB3 H 1 1.698 0.020 . 2 . . . . 76 LEU HB3 . 16882 1 895 . 1 1 76 76 LEU HD11 H 1 0.695 0.020 . 2 . . . . 76 LEU HD11 . 16882 1 896 . 1 1 76 76 LEU HD12 H 1 0.695 0.020 . 2 . . . . 76 LEU HD12 . 16882 1 897 . 1 1 76 76 LEU HD13 H 1 0.695 0.020 . 2 . . . . 76 LEU HD13 . 16882 1 898 . 1 1 76 76 LEU HD21 H 1 0.845 0.020 . 2 . . . . 76 LEU HD21 . 16882 1 899 . 1 1 76 76 LEU HD22 H 1 0.845 0.020 . 2 . . . . 76 LEU HD22 . 16882 1 900 . 1 1 76 76 LEU HD23 H 1 0.845 0.020 . 2 . . . . 76 LEU HD23 . 16882 1 901 . 1 1 76 76 LEU HG H 1 1.969 0.020 . 1 . . . . 76 LEU HG . 16882 1 902 . 1 1 76 76 LEU C C 13 174.786 0.400 . 1 . . . . 76 LEU C . 16882 1 903 . 1 1 76 76 LEU CA C 13 53.248 0.400 . 1 . . . . 76 LEU CA . 16882 1 904 . 1 1 76 76 LEU CB C 13 40.562 0.400 . 1 . . . . 76 LEU CB . 16882 1 905 . 1 1 76 76 LEU CD1 C 13 26.045 0.400 . 1 . . . . 76 LEU CD1 . 16882 1 906 . 1 1 76 76 LEU CD2 C 13 22.102 0.400 . 1 . . . . 76 LEU CD2 . 16882 1 907 . 1 1 76 76 LEU CG C 13 25.801 0.400 . 1 . . . . 76 LEU CG . 16882 1 908 . 1 1 76 76 LEU N N 15 121.684 0.400 . 1 . . . . 76 LEU N . 16882 1 909 . 1 1 77 77 PRO HA H 1 4.424 0.020 . 1 . . . . 77 PRO HA . 16882 1 910 . 1 1 77 77 PRO HB2 H 1 1.758 0.020 . 2 . . . . 77 PRO HB2 . 16882 1 911 . 1 1 77 77 PRO HB3 H 1 2.544 0.020 . 2 . . . . 77 PRO HB3 . 16882 1 912 . 1 1 77 77 PRO HD2 H 1 3.324 0.020 . 2 . . . . 77 PRO HD2 . 16882 1 913 . 1 1 77 77 PRO HD3 H 1 3.978 0.020 . 2 . . . . 77 PRO HD3 . 16882 1 914 . 1 1 77 77 PRO HG2 H 1 2.147 0.020 . 1 . . . . 77 PRO HG2 . 16882 1 915 . 1 1 77 77 PRO HG3 H 1 2.147 0.020 . 1 . . . . 77 PRO HG3 . 16882 1 916 . 1 1 77 77 PRO C C 13 177.776 0.400 . 1 . . . . 77 PRO C . 16882 1 917 . 1 1 77 77 PRO CA C 13 62.781 0.400 . 1 . . . . 77 PRO CA . 16882 1 918 . 1 1 77 77 PRO CB C 13 32.257 0.400 . 1 . . . . 77 PRO CB . 16882 1 919 . 1 1 77 77 PRO CD C 13 50.131 0.400 . 1 . . . . 77 PRO CD . 16882 1 920 . 1 1 77 77 PRO CG C 13 28.136 0.400 . 1 . . . . 77 PRO CG . 16882 1 921 . 1 1 78 78 GLU H H 1 9.000 0.020 . 1 . . . . 78 GLU H . 16882 1 922 . 1 1 78 78 GLU HA H 1 3.719 0.020 . 1 . . . . 78 GLU HA . 16882 1 923 . 1 1 78 78 GLU HB2 H 1 1.985 0.020 . 2 . . . . 78 GLU HB2 . 16882 1 924 . 1 1 78 78 GLU HB3 H 1 2.079 0.020 . 2 . . . . 78 GLU HB3 . 16882 1 925 . 1 1 78 78 GLU HG2 H 1 2.238 0.020 . 2 . . . . 78 GLU HG2 . 16882 1 926 . 1 1 78 78 GLU HG3 H 1 2.340 0.020 . 2 . . . . 78 GLU HG3 . 16882 1 927 . 1 1 78 78 GLU C C 13 177.896 0.400 . 1 . . . . 78 GLU C . 16882 1 928 . 1 1 78 78 GLU CA C 13 60.237 0.400 . 1 . . . . 78 GLU CA . 16882 1 929 . 1 1 78 78 GLU CB C 13 29.441 0.400 . 1 . . . . 78 GLU CB . 16882 1 930 . 1 1 78 78 GLU CG C 13 36.435 0.400 . 1 . . . . 78 GLU CG . 16882 1 931 . 1 1 78 78 GLU N N 15 125.902 0.400 . 1 . . . . 78 GLU N . 16882 1 932 . 1 1 79 79 ALA H H 1 8.910 0.020 . 1 . . . . 79 ALA H . 16882 1 933 . 1 1 79 79 ALA HA H 1 4.034 0.020 . 1 . . . . 79 ALA HA . 16882 1 934 . 1 1 79 79 ALA HB1 H 1 1.406 0.020 . 1 . . . . 79 ALA HB1 . 16882 1 935 . 1 1 79 79 ALA HB2 H 1 1.406 0.020 . 1 . . . . 79 ALA HB2 . 16882 1 936 . 1 1 79 79 ALA HB3 H 1 1.406 0.020 . 1 . . . . 79 ALA HB3 . 16882 1 937 . 1 1 79 79 ALA C C 13 180.553 0.400 . 1 . . . . 79 ALA C . 16882 1 938 . 1 1 79 79 ALA CA C 13 55.050 0.400 . 1 . . . . 79 ALA CA . 16882 1 939 . 1 1 79 79 ALA CB C 13 18.279 0.400 . 1 . . . . 79 ALA CB . 16882 1 940 . 1 1 79 79 ALA N N 15 118.434 0.400 . 1 . . . . 79 ALA N . 16882 1 941 . 1 1 80 80 VAL H H 1 7.005 0.020 . 1 . . . . 80 VAL H . 16882 1 942 . 1 1 80 80 VAL HA H 1 3.719 0.020 . 1 . . . . 80 VAL HA . 16882 1 943 . 1 1 80 80 VAL HB H 1 2.036 0.020 . 1 . . . . 80 VAL HB . 16882 1 944 . 1 1 80 80 VAL HG11 H 1 0.953 0.020 . 2 . . . . 80 VAL HG11 . 16882 1 945 . 1 1 80 80 VAL HG12 H 1 0.953 0.020 . 2 . . . . 80 VAL HG12 . 16882 1 946 . 1 1 80 80 VAL HG13 H 1 0.953 0.020 . 2 . . . . 80 VAL HG13 . 16882 1 947 . 1 1 80 80 VAL HG21 H 1 0.978 0.020 . 2 . . . . 80 VAL HG21 . 16882 1 948 . 1 1 80 80 VAL HG22 H 1 0.978 0.020 . 2 . . . . 80 VAL HG22 . 16882 1 949 . 1 1 80 80 VAL HG23 H 1 0.978 0.020 . 2 . . . . 80 VAL HG23 . 16882 1 950 . 1 1 80 80 VAL C C 13 177.655 0.400 . 1 . . . . 80 VAL C . 16882 1 951 . 1 1 80 80 VAL CA C 13 64.889 0.400 . 1 . . . . 80 VAL CA . 16882 1 952 . 1 1 80 80 VAL CB C 13 31.749 0.400 . 1 . . . . 80 VAL CB . 16882 1 953 . 1 1 80 80 VAL CG1 C 13 21.893 0.400 . 1 . . . . 80 VAL CG1 . 16882 1 954 . 1 1 80 80 VAL CG2 C 13 21.881 0.400 . 1 . . . . 80 VAL CG2 . 16882 1 955 . 1 1 80 80 VAL N N 15 117.684 0.400 . 1 . . . . 80 VAL N . 16882 1 956 . 1 1 81 81 GLN H H 1 7.853 0.020 . 1 . . . . 81 GLN H . 16882 1 957 . 1 1 81 81 GLN HA H 1 3.470 0.020 . 1 . . . . 81 GLN HA . 16882 1 958 . 1 1 81 81 GLN HB2 H 1 1.869 0.020 . 2 . . . . 81 GLN HB2 . 16882 1 959 . 1 1 81 81 GLN HB3 H 1 2.072 0.020 . 2 . . . . 81 GLN HB3 . 16882 1 960 . 1 1 81 81 GLN HE21 H 1 6.595 0.020 . 2 . . . . 81 GLN HE21 . 16882 1 961 . 1 1 81 81 GLN HE22 H 1 7.297 0.020 . 2 . . . . 81 GLN HE22 . 16882 1 962 . 1 1 81 81 GLN HG2 H 1 0.947 0.020 . 2 . . . . 81 GLN HG2 . 16882 1 963 . 1 1 81 81 GLN HG3 H 1 1.856 0.020 . 2 . . . . 81 GLN HG3 . 16882 1 964 . 1 1 81 81 GLN C C 13 178.350 0.400 . 1 . . . . 81 GLN C . 16882 1 965 . 1 1 81 81 GLN CA C 13 59.450 0.400 . 1 . . . . 81 GLN CA . 16882 1 966 . 1 1 81 81 GLN CB C 13 28.384 0.400 . 1 . . . . 81 GLN CB . 16882 1 967 . 1 1 81 81 GLN CG C 13 33.041 0.400 . 1 . . . . 81 GLN CG . 16882 1 968 . 1 1 81 81 GLN N N 15 118.434 0.400 . 1 . . . . 81 GLN N . 16882 1 969 . 1 1 81 81 GLN NE2 N 15 111.628 0.400 . 1 . . . . 81 GLN NE2 . 16882 1 970 . 1 1 82 82 LYS H H 1 7.961 0.020 . 1 . . . . 82 LYS H . 16882 1 971 . 1 1 82 82 LYS HA H 1 3.905 0.020 . 1 . . . . 82 LYS HA . 16882 1 972 . 1 1 82 82 LYS HB2 H 1 1.855 0.020 . 1 . . . . 82 LYS HB2 . 16882 1 973 . 1 1 82 82 LYS HB3 H 1 1.855 0.020 . 1 . . . . 82 LYS HB3 . 16882 1 974 . 1 1 82 82 LYS HD2 H 1 1.663 0.020 . 1 . . . . 82 LYS HD2 . 16882 1 975 . 1 1 82 82 LYS HD3 H 1 1.663 0.020 . 1 . . . . 82 LYS HD3 . 16882 1 976 . 1 1 82 82 LYS HE2 H 1 2.969 0.020 . 1 . . . . 82 LYS HE2 . 16882 1 977 . 1 1 82 82 LYS HE3 H 1 2.969 0.020 . 1 . . . . 82 LYS HE3 . 16882 1 978 . 1 1 82 82 LYS HG2 H 1 1.473 0.020 . 2 . . . . 82 LYS HG2 . 16882 1 979 . 1 1 82 82 LYS HG3 H 1 1.661 0.020 . 2 . . . . 82 LYS HG3 . 16882 1 980 . 1 1 82 82 LYS C C 13 179.512 0.400 . 1 . . . . 82 LYS C . 16882 1 981 . 1 1 82 82 LYS CA C 13 59.404 0.400 . 1 . . . . 82 LYS CA . 16882 1 982 . 1 1 82 82 LYS CB C 13 32.550 0.400 . 1 . . . . 82 LYS CB . 16882 1 983 . 1 1 82 82 LYS CD C 13 29.441 0.400 . 1 . . . . 82 LYS CD . 16882 1 984 . 1 1 82 82 LYS CE C 13 41.875 0.400 . 1 . . . . 82 LYS CE . 16882 1 985 . 1 1 82 82 LYS CG C 13 25.497 0.400 . 1 . . . . 82 LYS CG . 16882 1 986 . 1 1 82 82 LYS N N 15 114.435 0.400 . 1 . . . . 82 LYS N . 16882 1 987 . 1 1 83 83 GLU H H 1 7.484 0.020 . 1 . . . . 83 GLU H . 16882 1 988 . 1 1 83 83 GLU HA H 1 4.077 0.020 . 1 . . . . 83 GLU HA . 16882 1 989 . 1 1 83 83 GLU HB2 H 1 2.109 0.020 . 2 . . . . 83 GLU HB2 . 16882 1 990 . 1 1 83 83 GLU HB3 H 1 2.163 0.020 . 2 . . . . 83 GLU HB3 . 16882 1 991 . 1 1 83 83 GLU HG2 H 1 2.256 0.020 . 2 . . . . 83 GLU HG2 . 16882 1 992 . 1 1 83 83 GLU HG3 H 1 2.403 0.020 . 2 . . . . 83 GLU HG3 . 16882 1 993 . 1 1 83 83 GLU C C 13 179.186 0.400 . 1 . . . . 83 GLU C . 16882 1 994 . 1 1 83 83 GLU CA C 13 58.911 0.400 . 1 . . . . 83 GLU CA . 16882 1 995 . 1 1 83 83 GLU CB C 13 29.628 0.400 . 1 . . . . 83 GLU CB . 16882 1 996 . 1 1 83 83 GLU CG C 13 35.845 0.400 . 1 . . . . 83 GLU CG . 16882 1 997 . 1 1 83 83 GLU N N 15 120.428 0.400 . 1 . . . . 83 GLU N . 16882 1 998 . 1 1 84 84 LEU H H 1 8.199 0.020 . 1 . . . . 84 LEU H . 16882 1 999 . 1 1 84 84 LEU HA H 1 3.715 0.020 . 1 . . . . 84 LEU HA . 16882 1 1000 . 1 1 84 84 LEU HB2 H 1 0.545 0.020 . 2 . . . . 84 LEU HB2 . 16882 1 1001 . 1 1 84 84 LEU HB3 H 1 1.650 0.020 . 2 . . . . 84 LEU HB3 . 16882 1 1002 . 1 1 84 84 LEU HD11 H 1 0.771 0.020 . 2 . . . . 84 LEU HD11 . 16882 1 1003 . 1 1 84 84 LEU HD12 H 1 0.771 0.020 . 2 . . . . 84 LEU HD12 . 16882 1 1004 . 1 1 84 84 LEU HD13 H 1 0.771 0.020 . 2 . . . . 84 LEU HD13 . 16882 1 1005 . 1 1 84 84 LEU HD21 H 1 0.759 0.020 . 2 . . . . 84 LEU HD21 . 16882 1 1006 . 1 1 84 84 LEU HD22 H 1 0.759 0.020 . 2 . . . . 84 LEU HD22 . 16882 1 1007 . 1 1 84 84 LEU HD23 H 1 0.759 0.020 . 2 . . . . 84 LEU HD23 . 16882 1 1008 . 1 1 84 84 LEU HG H 1 1.601 0.020 . 1 . . . . 84 LEU HG . 16882 1 1009 . 1 1 84 84 LEU C C 13 178.052 0.400 . 1 . . . . 84 LEU C . 16882 1 1010 . 1 1 84 84 LEU CA C 13 57.658 0.400 . 1 . . . . 84 LEU CA . 16882 1 1011 . 1 1 84 84 LEU CB C 13 41.068 0.400 . 1 . . . . 84 LEU CB . 16882 1 1012 . 1 1 84 84 LEU CD1 C 13 22.670 0.400 . 1 . . . . 84 LEU CD1 . 16882 1 1013 . 1 1 84 84 LEU CD2 C 13 26.285 0.400 . 1 . . . . 84 LEU CD2 . 16882 1 1014 . 1 1 84 84 LEU CG C 13 26.841 0.400 . 1 . . . . 84 LEU CG . 16882 1 1015 . 1 1 84 84 LEU N N 15 121.434 0.400 . 1 . . . . 84 LEU N . 16882 1 1016 . 1 1 85 85 LEU H H 1 8.076 0.020 . 1 . . . . 85 LEU H . 16882 1 1017 . 1 1 85 85 LEU HA H 1 3.888 0.020 . 1 . . . . 85 LEU HA . 16882 1 1018 . 1 1 85 85 LEU HB2 H 1 1.488 0.020 . 2 . . . . 85 LEU HB2 . 16882 1 1019 . 1 1 85 85 LEU HB3 H 1 1.829 0.020 . 2 . . . . 85 LEU HB3 . 16882 1 1020 . 1 1 85 85 LEU HD11 H 1 0.885 0.020 . 2 . . . . 85 LEU HD11 . 16882 1 1021 . 1 1 85 85 LEU HD12 H 1 0.885 0.020 . 2 . . . . 85 LEU HD12 . 16882 1 1022 . 1 1 85 85 LEU HD13 H 1 0.885 0.020 . 2 . . . . 85 LEU HD13 . 16882 1 1023 . 1 1 85 85 LEU HD21 H 1 0.978 0.020 . 2 . . . . 85 LEU HD21 . 16882 1 1024 . 1 1 85 85 LEU HD22 H 1 0.978 0.020 . 2 . . . . 85 LEU HD22 . 16882 1 1025 . 1 1 85 85 LEU HD23 H 1 0.978 0.020 . 2 . . . . 85 LEU HD23 . 16882 1 1026 . 1 1 85 85 LEU HG H 1 1.932 0.020 . 1 . . . . 85 LEU HG . 16882 1 1027 . 1 1 85 85 LEU C C 13 179.540 0.400 . 1 . . . . 85 LEU C . 16882 1 1028 . 1 1 85 85 LEU CA C 13 57.906 0.400 . 1 . . . . 85 LEU CA . 16882 1 1029 . 1 1 85 85 LEU CB C 13 41.598 0.400 . 1 . . . . 85 LEU CB . 16882 1 1030 . 1 1 85 85 LEU CD1 C 13 23.442 0.400 . 1 . . . . 85 LEU CD1 . 16882 1 1031 . 1 1 85 85 LEU CD2 C 13 25.538 0.400 . 1 . . . . 85 LEU CD2 . 16882 1 1032 . 1 1 85 85 LEU CG C 13 27.009 0.400 . 1 . . . . 85 LEU CG . 16882 1 1033 . 1 1 85 85 LEU N N 15 117.104 0.400 . 1 . . . . 85 LEU N . 16882 1 1034 . 1 1 86 86 ALA H H 1 7.667 0.020 . 1 . . . . 86 ALA H . 16882 1 1035 . 1 1 86 86 ALA HA H 1 4.108 0.020 . 1 . . . . 86 ALA HA . 16882 1 1036 . 1 1 86 86 ALA HB1 H 1 1.487 0.020 . 1 . . . . 86 ALA HB1 . 16882 1 1037 . 1 1 86 86 ALA HB2 H 1 1.487 0.020 . 1 . . . . 86 ALA HB2 . 16882 1 1038 . 1 1 86 86 ALA HB3 H 1 1.487 0.020 . 1 . . . . 86 ALA HB3 . 16882 1 1039 . 1 1 86 86 ALA C C 13 180.426 0.400 . 1 . . . . 86 ALA C . 16882 1 1040 . 1 1 86 86 ALA CA C 13 54.803 0.400 . 1 . . . . 86 ALA CA . 16882 1 1041 . 1 1 86 86 ALA CB C 13 17.761 0.400 . 1 . . . . 86 ALA CB . 16882 1 1042 . 1 1 86 86 ALA N N 15 119.934 0.400 . 1 . . . . 86 ALA N . 16882 1 1043 . 1 1 87 87 GLU H H 1 7.892 0.020 . 1 . . . . 87 GLU H . 16882 1 1044 . 1 1 87 87 GLU HA H 1 4.153 0.020 . 1 . . . . 87 GLU HA . 16882 1 1045 . 1 1 87 87 GLU HB2 H 1 2.059 0.020 . 1 . . . . 87 GLU HB2 . 16882 1 1046 . 1 1 87 87 GLU HB3 H 1 2.059 0.020 . 1 . . . . 87 GLU HB3 . 16882 1 1047 . 1 1 87 87 GLU HG2 H 1 2.290 0.020 . 1 . . . . 87 GLU HG2 . 16882 1 1048 . 1 1 87 87 GLU HG3 H 1 2.290 0.020 . 1 . . . . 87 GLU HG3 . 16882 1 1049 . 1 1 87 87 GLU C C 13 179.214 0.400 . 1 . . . . 87 GLU C . 16882 1 1050 . 1 1 87 87 GLU CA C 13 58.658 0.400 . 1 . . . . 87 GLU CA . 16882 1 1051 . 1 1 87 87 GLU CB C 13 28.851 0.400 . 1 . . . . 87 GLU CB . 16882 1 1052 . 1 1 87 87 GLU CG C 13 35.327 0.400 . 1 . . . . 87 GLU CG . 16882 1 1053 . 1 1 87 87 GLU N N 15 120.429 0.400 . 1 . . . . 87 GLU N . 16882 1 1054 . 1 1 88 88 TRP H H 1 8.621 0.020 . 1 . . . . 88 TRP H . 16882 1 1055 . 1 1 88 88 TRP HA H 1 4.603 0.020 . 1 . . . . 88 TRP HA . 16882 1 1056 . 1 1 88 88 TRP HB2 H 1 3.238 0.020 . 1 . . . . 88 TRP HB2 . 16882 1 1057 . 1 1 88 88 TRP HB3 H 1 3.238 0.020 . 1 . . . . 88 TRP HB3 . 16882 1 1058 . 1 1 88 88 TRP HD1 H 1 7.084 0.020 . 1 . . . . 88 TRP HD1 . 16882 1 1059 . 1 1 88 88 TRP HE1 H 1 10.117 0.020 . 1 . . . . 88 TRP HE1 . 16882 1 1060 . 1 1 88 88 TRP HE3 H 1 7.295 0.020 . 1 . . . . 88 TRP HE3 . 16882 1 1061 . 1 1 88 88 TRP HH2 H 1 6.791 0.020 . 1 . . . . 88 TRP HH2 . 16882 1 1062 . 1 1 88 88 TRP HZ2 H 1 7.282 0.020 . 1 . . . . 88 TRP HZ2 . 16882 1 1063 . 1 1 88 88 TRP HZ3 H 1 6.434 0.020 . 1 . . . . 88 TRP HZ3 . 16882 1 1064 . 1 1 88 88 TRP C C 13 178.768 0.400 . 1 . . . . 88 TRP C . 16882 1 1065 . 1 1 88 88 TRP CA C 13 58.151 0.400 . 1 . . . . 88 TRP CA . 16882 1 1066 . 1 1 88 88 TRP CB C 13 28.354 0.400 . 1 . . . . 88 TRP CB . 16882 1 1067 . 1 1 88 88 TRP CD1 C 13 124.318 0.400 . 1 . . . . 88 TRP CD1 . 16882 1 1068 . 1 1 88 88 TRP CE3 C 13 120.279 0.400 . 1 . . . . 88 TRP CE3 . 16882 1 1069 . 1 1 88 88 TRP CH2 C 13 123.813 0.400 . 1 . . . . 88 TRP CH2 . 16882 1 1070 . 1 1 88 88 TRP CZ2 C 13 113.715 0.400 . 1 . . . . 88 TRP CZ2 . 16882 1 1071 . 1 1 88 88 TRP CZ3 C 13 121.296 0.400 . 1 . . . . 88 TRP CZ3 . 16882 1 1072 . 1 1 88 88 TRP N N 15 121.622 0.400 . 1 . . . . 88 TRP N . 16882 1 1073 . 1 1 88 88 TRP NE1 N 15 128.276 0.400 . 1 . . . . 88 TRP NE1 . 16882 1 1074 . 1 1 89 89 LYS H H 1 8.058 0.020 . 1 . . . . 89 LYS H . 16882 1 1075 . 1 1 89 89 LYS HA H 1 4.118 0.020 . 1 . . . . 89 LYS HA . 16882 1 1076 . 1 1 89 89 LYS HB2 H 1 1.928 0.020 . 1 . . . . 89 LYS HB2 . 16882 1 1077 . 1 1 89 89 LYS HB3 H 1 1.928 0.020 . 1 . . . . 89 LYS HB3 . 16882 1 1078 . 1 1 89 89 LYS HD2 H 1 1.700 0.020 . 1 . . . . 89 LYS HD2 . 16882 1 1079 . 1 1 89 89 LYS HD3 H 1 1.700 0.020 . 1 . . . . 89 LYS HD3 . 16882 1 1080 . 1 1 89 89 LYS HE2 H 1 2.970 0.020 . 1 . . . . 89 LYS HE2 . 16882 1 1081 . 1 1 89 89 LYS HE3 H 1 2.970 0.020 . 1 . . . . 89 LYS HE3 . 16882 1 1082 . 1 1 89 89 LYS HG2 H 1 1.442 0.020 . 2 . . . . 89 LYS HG2 . 16882 1 1083 . 1 1 89 89 LYS HG3 H 1 1.582 0.020 . 2 . . . . 89 LYS HG3 . 16882 1 1084 . 1 1 89 89 LYS C C 13 178.229 0.400 . 1 . . . . 89 LYS C . 16882 1 1085 . 1 1 89 89 LYS CA C 13 58.182 0.400 . 1 . . . . 89 LYS CA . 16882 1 1086 . 1 1 89 89 LYS CB C 13 32.250 0.400 . 1 . . . . 89 LYS CB . 16882 1 1087 . 1 1 89 89 LYS CD C 13 29.146 0.400 . 1 . . . . 89 LYS CD . 16882 1 1088 . 1 1 89 89 LYS CE C 13 41.875 0.400 . 1 . . . . 89 LYS CE . 16882 1 1089 . 1 1 89 89 LYS CG C 13 25.283 0.400 . 1 . . . . 89 LYS CG . 16882 1 1090 . 1 1 89 89 LYS N N 15 118.934 0.400 . 1 . . . . 89 LYS N . 16882 1 1091 . 1 1 90 90 ARG H H 1 7.888 0.020 . 1 . . . . 90 ARG H . 16882 1 1092 . 1 1 90 90 ARG HA H 1 4.211 0.020 . 1 . . . . 90 ARG HA . 16882 1 1093 . 1 1 90 90 ARG HB2 H 1 1.982 0.020 . 1 . . . . 90 ARG HB2 . 16882 1 1094 . 1 1 90 90 ARG HB3 H 1 1.982 0.020 . 1 . . . . 90 ARG HB3 . 16882 1 1095 . 1 1 90 90 ARG HD2 H 1 3.211 0.020 . 2 . . . . 90 ARG HD2 . 16882 1 1096 . 1 1 90 90 ARG HD3 H 1 3.247 0.020 . 2 . . . . 90 ARG HD3 . 16882 1 1097 . 1 1 90 90 ARG HG2 H 1 1.660 0.020 . 2 . . . . 90 ARG HG2 . 16882 1 1098 . 1 1 90 90 ARG HG3 H 1 1.776 0.020 . 2 . . . . 90 ARG HG3 . 16882 1 1099 . 1 1 90 90 ARG C C 13 177.712 0.400 . 1 . . . . 90 ARG C . 16882 1 1100 . 1 1 90 90 ARG CA C 13 58.194 0.400 . 1 . . . . 90 ARG CA . 16882 1 1101 . 1 1 90 90 ARG CB C 13 30.726 0.400 . 1 . . . . 90 ARG CB . 16882 1 1102 . 1 1 90 90 ARG CD C 13 43.098 0.400 . 1 . . . . 90 ARG CD . 16882 1 1103 . 1 1 90 90 ARG CG C 13 27.628 0.400 . 1 . . . . 90 ARG CG . 16882 1 1104 . 1 1 90 90 ARG N N 15 119.184 0.400 . 1 . . . . 90 ARG N . 16882 1 1105 . 1 1 91 91 THR H H 1 8.106 0.020 . 1 . . . . 91 THR H . 16882 1 1106 . 1 1 91 91 THR HA H 1 4.361 0.020 . 1 . . . . 91 THR HA . 16882 1 1107 . 1 1 91 91 THR HB H 1 4.383 0.020 . 1 . . . . 91 THR HB . 16882 1 1108 . 1 1 91 91 THR HG21 H 1 1.284 0.020 . 1 . . . . 91 THR HG21 . 16882 1 1109 . 1 1 91 91 THR HG22 H 1 1.284 0.020 . 1 . . . . 91 THR HG22 . 16882 1 1110 . 1 1 91 91 THR HG23 H 1 1.284 0.020 . 1 . . . . 91 THR HG23 . 16882 1 1111 . 1 1 91 91 THR C C 13 175.679 0.400 . 1 . . . . 91 THR C . 16882 1 1112 . 1 1 91 91 THR CA C 13 62.574 0.400 . 1 . . . . 91 THR CA . 16882 1 1113 . 1 1 91 91 THR CB C 13 70.000 0.400 . 1 . . . . 91 THR CB . 16882 1 1114 . 1 1 91 91 THR CG2 C 13 21.387 0.400 . 1 . . . . 91 THR CG2 . 16882 1 1115 . 1 1 91 91 THR N N 15 110.436 0.400 . 1 . . . . 91 THR N . 16882 1 1116 . 1 1 92 92 GLY H H 1 8.160 0.020 . 1 . . . . 92 GLY H . 16882 1 1117 . 1 1 92 92 GLY HA2 H 1 4.047 0.020 . 2 . . . . 92 GLY HA2 . 16882 1 1118 . 1 1 92 92 GLY HA3 H 1 3.924 0.020 . 2 . . . . 92 GLY HA3 . 16882 1 1119 . 1 1 92 92 GLY C C 13 174.581 0.400 . 1 . . . . 92 GLY C . 16882 1 1120 . 1 1 92 92 GLY CA C 13 45.760 0.400 . 1 . . . . 92 GLY CA . 16882 1 1121 . 1 1 92 92 GLY N N 15 110.918 0.400 . 1 . . . . 92 GLY N . 16882 1 1122 . 1 1 93 93 SER H H 1 8.221 0.020 . 1 . . . . 93 SER H . 16882 1 1123 . 1 1 93 93 SER HA H 1 4.378 0.020 . 1 . . . . 93 SER HA . 16882 1 1124 . 1 1 93 93 SER HB2 H 1 3.757 0.020 . 2 . . . . 93 SER HB2 . 16882 1 1125 . 1 1 93 93 SER HB3 H 1 3.818 0.020 . 2 . . . . 93 SER HB3 . 16882 1 1126 . 1 1 93 93 SER C C 13 174.120 0.400 . 1 . . . . 93 SER C . 16882 1 1127 . 1 1 93 93 SER CA C 13 58.712 0.400 . 1 . . . . 93 SER CA . 16882 1 1128 . 1 1 93 93 SER CB C 13 63.634 0.400 . 1 . . . . 93 SER CB . 16882 1 1129 . 1 1 93 93 SER N N 15 115.433 0.400 . 1 . . . . 93 SER N . 16882 1 1130 . 1 1 94 94 ASP H H 1 8.343 0.020 . 1 . . . . 94 ASP H . 16882 1 1131 . 1 1 94 94 ASP HA H 1 4.548 0.020 . 1 . . . . 94 ASP HA . 16882 1 1132 . 1 1 94 94 ASP HB2 H 1 2.555 0.020 . 2 . . . . 94 ASP HB2 . 16882 1 1133 . 1 1 94 94 ASP HB3 H 1 2.570 0.020 . 2 . . . . 94 ASP HB3 . 16882 1 1134 . 1 1 94 94 ASP C C 13 175.842 0.400 . 1 . . . . 94 ASP C . 16882 1 1135 . 1 1 94 94 ASP CA C 13 54.309 0.400 . 1 . . . . 94 ASP CA . 16882 1 1136 . 1 1 94 94 ASP CB C 13 41.098 0.400 . 1 . . . . 94 ASP CB . 16882 1 1137 . 1 1 94 94 ASP N N 15 121.639 0.400 . 1 . . . . 94 ASP N . 16882 1 1138 . 1 1 95 95 PHE H H 1 7.946 0.020 . 1 . . . . 95 PHE H . 16882 1 1139 . 1 1 95 95 PHE HA H 1 4.436 0.020 . 1 . . . . 95 PHE HA . 16882 1 1140 . 1 1 95 95 PHE HB2 H 1 2.906 0.020 . 1 . . . . 95 PHE HB2 . 16882 1 1141 . 1 1 95 95 PHE HB3 H 1 2.906 0.020 . 1 . . . . 95 PHE HB3 . 16882 1 1142 . 1 1 95 95 PHE HD1 H 1 6.990 0.020 . 1 . . . . 95 PHE HD1 . 16882 1 1143 . 1 1 95 95 PHE HD2 H 1 6.990 0.020 . 1 . . . . 95 PHE HD2 . 16882 1 1144 . 1 1 95 95 PHE HE1 H 1 7.172 0.020 . 1 . . . . 95 PHE HE1 . 16882 1 1145 . 1 1 95 95 PHE HE2 H 1 7.172 0.020 . 1 . . . . 95 PHE HE2 . 16882 1 1146 . 1 1 95 95 PHE C C 13 175.261 0.400 . 1 . . . . 95 PHE C . 16882 1 1147 . 1 1 95 95 PHE CA C 13 57.911 0.400 . 1 . . . . 95 PHE CA . 16882 1 1148 . 1 1 95 95 PHE CB C 13 39.491 0.400 . 1 . . . . 95 PHE CB . 16882 1 1149 . 1 1 95 95 PHE CD1 C 13 131.387 0.400 . 1 . . . . 95 PHE CD1 . 16882 1 1150 . 1 1 95 95 PHE N N 15 120.184 0.400 . 1 . . . . 95 PHE N . 16882 1 1151 . 1 1 96 96 HIS H H 1 8.158 0.020 . 1 . . . . 96 HIS H . 16882 1 1152 . 1 1 96 96 HIS HA H 1 4.523 0.020 . 1 . . . . 96 HIS HA . 16882 1 1153 . 1 1 96 96 HIS HB2 H 1 2.987 0.020 . 1 . . . . 96 HIS HB2 . 16882 1 1154 . 1 1 96 96 HIS HB3 H 1 2.987 0.020 . 1 . . . . 96 HIS HB3 . 16882 1 1155 . 1 1 96 96 HIS HD1 H 1 7.012 0.020 . 1 . . . . 96 HIS HD1 . 16882 1 1156 . 1 1 96 96 HIS C C 13 174.722 0.400 . 1 . . . . 96 HIS C . 16882 1 1157 . 1 1 96 96 HIS CA C 13 55.839 0.400 . 1 . . . . 96 HIS CA . 16882 1 1158 . 1 1 96 96 HIS CB C 13 29.935 0.400 . 1 . . . . 96 HIS CB . 16882 1 1159 . 1 1 96 96 HIS N N 15 120.430 0.400 . 1 . . . . 96 HIS N . 16882 1 1160 . 1 1 97 97 ILE H H 1 7.984 0.020 . 1 . . . . 97 ILE H . 16882 1 1161 . 1 1 97 97 ILE HA H 1 4.017 0.020 . 1 . . . . 97 ILE HA . 16882 1 1162 . 1 1 97 97 ILE HB H 1 1.735 0.020 . 1 . . . . 97 ILE HB . 16882 1 1163 . 1 1 97 97 ILE HD11 H 1 0.792 0.020 . 1 . . . . 97 ILE HD11 . 16882 1 1164 . 1 1 97 97 ILE HD12 H 1 0.792 0.020 . 1 . . . . 97 ILE HD12 . 16882 1 1165 . 1 1 97 97 ILE HD13 H 1 0.792 0.020 . 1 . . . . 97 ILE HD13 . 16882 1 1166 . 1 1 97 97 ILE HG12 H 1 1.054 0.020 . 2 . . . . 97 ILE HG12 . 16882 1 1167 . 1 1 97 97 ILE HG13 H 1 1.335 0.020 . 2 . . . . 97 ILE HG13 . 16882 1 1168 . 1 1 97 97 ILE HG21 H 1 0.809 0.020 . 1 . . . . 97 ILE HG21 . 16882 1 1169 . 1 1 97 97 ILE HG22 H 1 0.809 0.020 . 1 . . . . 97 ILE HG22 . 16882 1 1170 . 1 1 97 97 ILE HG23 H 1 0.809 0.020 . 1 . . . . 97 ILE HG23 . 16882 1 1171 . 1 1 97 97 ILE C C 13 176.430 0.400 . 1 . . . . 97 ILE C . 16882 1 1172 . 1 1 97 97 ILE CA C 13 61.562 0.400 . 1 . . . . 97 ILE CA . 16882 1 1173 . 1 1 97 97 ILE CB C 13 38.238 0.400 . 1 . . . . 97 ILE CB . 16882 1 1174 . 1 1 97 97 ILE CD1 C 13 13.360 0.400 . 1 . . . . 97 ILE CD1 . 16882 1 1175 . 1 1 97 97 ILE CG1 C 13 27.628 0.400 . 1 . . . . 97 ILE CG1 . 16882 1 1176 . 1 1 97 97 ILE CG2 C 13 17.494 0.400 . 1 . . . . 97 ILE CG2 . 16882 1 1177 . 1 1 97 97 ILE N N 15 121.612 0.400 . 1 . . . . 97 ILE N . 16882 1 1178 . 1 1 98 98 GLY H H 1 8.386 0.020 . 1 . . . . 98 GLY H . 16882 1 1179 . 1 1 98 98 GLY HA2 H 1 3.915 0.020 . 2 . . . . 98 GLY HA2 . 16882 1 1180 . 1 1 98 98 GLY HA3 H 1 3.877 0.020 . 2 . . . . 98 GLY HA3 . 16882 1 1181 . 1 1 98 98 GLY C C 13 174.078 0.400 . 1 . . . . 98 GLY C . 16882 1 1182 . 1 1 98 98 GLY CA C 13 45.188 0.400 . 1 . . . . 98 GLY CA . 16882 1 1183 . 1 1 98 98 GLY N N 15 111.637 0.400 . 1 . . . . 98 GLY N . 16882 1 1184 . 1 1 99 99 HIS H H 1 8.150 0.020 . 1 . . . . 99 HIS H . 16882 1 1185 . 1 1 99 99 HIS HA H 1 4.605 0.020 . 1 . . . . 99 HIS HA . 16882 1 1186 . 1 1 99 99 HIS HB2 H 1 3.068 0.020 . 1 . . . . 99 HIS HB2 . 16882 1 1187 . 1 1 99 99 HIS HB3 H 1 3.068 0.020 . 1 . . . . 99 HIS HB3 . 16882 1 1188 . 1 1 99 99 HIS HD1 H 1 6.970 0.020 . 1 . . . . 99 HIS HD1 . 16882 1 1189 . 1 1 99 99 HIS C C 13 175.261 0.400 . 1 . . . . 99 HIS C . 16882 1 1190 . 1 1 99 99 HIS CA C 13 56.098 0.400 . 1 . . . . 99 HIS CA . 16882 1 1191 . 1 1 99 99 HIS CB C 13 30.218 0.400 . 1 . . . . 99 HIS CB . 16882 1 1192 . 1 1 99 99 HIS N N 15 119.184 0.400 . 1 . . . . 99 HIS N . 16882 1 1193 . 1 1 100 100 LYS H H 1 8.265 0.020 . 1 . . . . 100 LYS H . 16882 1 1194 . 1 1 100 100 LYS HA H 1 4.227 0.020 . 1 . . . . 100 LYS HA . 16882 1 1195 . 1 1 100 100 LYS C C 13 176.529 0.400 . 1 . . . . 100 LYS C . 16882 1 1196 . 1 1 100 100 LYS CA C 13 56.381 0.400 . 1 . . . . 100 LYS CA . 16882 1 1197 . 1 1 100 100 LYS N N 15 121.680 0.400 . 1 . . . . 100 LYS N . 16882 1 1198 . 1 1 101 101 LEU H H 1 8.321 0.020 . 1 . . . . 101 LEU H . 16882 1 1199 . 1 1 101 101 LEU HA H 1 4.308 0.020 . 1 . . . . 101 LEU HA . 16882 1 1200 . 1 1 101 101 LEU HB2 H 1 1.514 0.020 . 2 . . . . 101 LEU HB2 . 16882 1 1201 . 1 1 101 101 LEU HB3 H 1 1.601 0.020 . 2 . . . . 101 LEU HB3 . 16882 1 1202 . 1 1 101 101 LEU HD11 H 1 0.816 0.020 . 2 . . . . 101 LEU HD11 . 16882 1 1203 . 1 1 101 101 LEU HD12 H 1 0.816 0.020 . 2 . . . . 101 LEU HD12 . 16882 1 1204 . 1 1 101 101 LEU HD13 H 1 0.816 0.020 . 2 . . . . 101 LEU HD13 . 16882 1 1205 . 1 1 101 101 LEU HD21 H 1 0.856 0.020 . 2 . . . . 101 LEU HD21 . 16882 1 1206 . 1 1 101 101 LEU HD22 H 1 0.856 0.020 . 2 . . . . 101 LEU HD22 . 16882 1 1207 . 1 1 101 101 LEU HD23 H 1 0.856 0.020 . 2 . . . . 101 LEU HD23 . 16882 1 1208 . 1 1 101 101 LEU HG H 1 1.567 0.020 . 1 . . . . 101 LEU HG . 16882 1 1209 . 1 1 101 101 LEU C C 13 177.181 0.400 . 1 . . . . 101 LEU C . 16882 1 1210 . 1 1 101 101 LEU CA C 13 55.086 0.400 . 1 . . . . 101 LEU CA . 16882 1 1211 . 1 1 101 101 LEU CB C 13 41.875 0.400 . 1 . . . . 101 LEU CB . 16882 1 1212 . 1 1 101 101 LEU CD1 C 13 23.465 0.400 . 1 . . . . 101 LEU CD1 . 16882 1 1213 . 1 1 101 101 LEU CD2 C 13 25.038 0.400 . 1 . . . . 101 LEU CD2 . 16882 1 1214 . 1 1 101 101 LEU CG C 13 27.110 0.400 . 1 . . . . 101 LEU CG . 16882 1 1215 . 1 1 101 101 LEU N N 15 122.597 0.400 . 1 . . . . 101 LEU N . 16882 1 1216 . 1 1 102 102 GLU H H 1 8.304 0.020 . 1 . . . . 102 GLU H . 16882 1 1217 . 1 1 102 102 GLU HA H 1 4.185 0.020 . 1 . . . . 102 GLU HA . 16882 1 1218 . 1 1 102 102 GLU HB2 H 1 1.875 0.020 . 1 . . . . 102 GLU HB2 . 16882 1 1219 . 1 1 102 102 GLU HB3 H 1 1.875 0.020 . 1 . . . . 102 GLU HB3 . 16882 1 1220 . 1 1 102 102 GLU HG2 H 1 2.156 0.020 . 1 . . . . 102 GLU HG2 . 16882 1 1221 . 1 1 102 102 GLU HG3 H 1 2.156 0.020 . 1 . . . . 102 GLU HG3 . 16882 1 1222 . 1 1 102 102 GLU C C 13 176.125 0.400 . 1 . . . . 102 GLU C . 16882 1 1223 . 1 1 102 102 GLU CA C 13 56.381 0.400 . 1 . . . . 102 GLU CA . 16882 1 1224 . 1 1 102 102 GLU N N 15 121.151 0.400 . 1 . . . . 102 GLU N . 16882 1 1225 . 1 1 103 103 HIS H H 1 8.258 0.020 . 1 . . . . 103 HIS H . 16882 1 1226 . 1 1 103 103 HIS HA H 1 4.548 0.020 . 1 . . . . 103 HIS HA . 16882 1 1227 . 1 1 103 103 HIS HB2 H 1 3.020 0.020 . 1 . . . . 103 HIS HB2 . 16882 1 1228 . 1 1 103 103 HIS HB3 H 1 3.020 0.020 . 1 . . . . 103 HIS HB3 . 16882 1 1229 . 1 1 103 103 HIS C C 13 174.956 0.400 . 1 . . . . 103 HIS C . 16882 1 1230 . 1 1 103 103 HIS CA C 13 56.122 0.400 . 1 . . . . 103 HIS CA . 16882 1 1231 . 1 1 103 103 HIS CB C 13 30.477 0.400 . 1 . . . . 103 HIS CB . 16882 1 1232 . 1 1 103 103 HIS N N 15 119.430 0.400 . 1 . . . . 103 HIS N . 16882 1 stop_ save_