data_6988 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6988 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 ; Solution Structure of the Ubiquitin-Associated Domain of Human BMSC-UbP and its Complex with Ubiquitin ; 'Structure analysis' ; The data from the entries that make up this study were used to determine the solution structure of Human BMSC-UbP UBA domain ; 6988 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'NMR structure' 6988 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6988 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for HGB1-UBA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-02-14 _Entry.Accession_date 2006-02-15 _Entry.Last_release_date 2006-06-28 _Entry.Original_release_date 2006-06-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details ; HGB1-UBA is a chimerical protein comprising an N-terminal HisTag, an N-terminal GB1 domain and a C-terminal UBA domain. ; _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 Y.G. Chang . . . 6988 2 A.X. Song . . . 6988 3 Y.G. Gao . . . 6988 4 Y.H. Shi . . . 6988 5 X.J. Lin . . . 6988 6 X.T. Cao . . . 6988 7 D.H. Lin . . . 6988 8 H.Y. Hu . . . 6988 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . SIBCB . 6988 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6988 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 397 6988 '15N chemical shifts' 103 6988 '1H chemical shifts' 639 6988 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 . . 2006-06-28 2006-02-14 original author . 6988 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DEN 'BMRB Entry Tracking System' 6988 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6988 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16731964 _Citation.Full_citation . _Citation.Title ; Solution structure of the ubiquitin-associated domain of human BMSC-UbP and its complex with ubiquitin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 6 _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 1248 _Citation.Page_last 1259 _Citation.Year 2006 _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 Y.G. Chang . . . 6988 1 2 A.X. Song . . . 6988 1 3 Y.G. Gao . . . 6988 1 4 Y.H. Shi . . . 6988 1 5 X.J. Lin . . . 6988 1 6 X.T. Cao . . . 6988 1 7 D.H. Lin . . . 6988 1 8 H.Y. Hu . . . 6988 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'nmr structure' 6988 1 UBA 6988 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6988 _Assembly.ID 1 _Assembly.Name 'HGB1-UBA monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 12000 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6988 1 stop_ 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 'HGB1-UBA monomer' 1 $HGB1-UBA . . yes native no no . . . 6988 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HGB1-UBA _Entity.Sf_category entity _Entity.Sf_framecode HGB1-UBA _Entity.Entry_ID 6988 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HGB1-UBA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHHHHHHQYKLALNGKTLKG ETTTEAVDAATAEKVFKQYA NDNGVDGEWTYDDATKTFTV TEGSQWQPQLQQLRDMGIQD DELSLRALQATGGDIQAALE LIFAGGAP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 . . . . . 50.93 56 98.18 98.18 2.01e-28 . . . . 6988 1 2 no BMRB 15380 . GB1 . . . . . 50.93 56 98.18 98.18 2.01e-28 . . . . 6988 1 3 no BMRB 16627 . Protein_GB1_(2Q6I) . . . . . 50.93 56 98.18 98.18 2.01e-28 . . . . 6988 1 4 no BMRB 16670 . NALP1_PYD . . . . . 52.78 159 98.25 98.25 2.50e-29 . . . . 6988 1 5 no BMRB 16873 . GB1 . . . . . 50.93 56 98.18 98.18 2.01e-28 . . . . 6988 1 6 no BMRB 16882 . "Ubiquitin-Binding Motif" . . . . . 52.78 108 98.25 98.25 2.40e-29 . . . . 6988 1 7 no BMRB 17810 . entity . . . . . 50.93 56 98.18 98.18 2.01e-28 . . . . 6988 1 8 no BMRB 18397 . GB1 . . . . . 50.93 56 98.18 98.18 2.01e-28 . . . . 6988 1 9 no BMRB 5569 . GB1 . . . . . 50.00 56 98.15 98.15 1.18e-27 . . . . 6988 1 10 no BMRB 7280 . GB1 . . . . . 50.00 58 98.15 98.15 1.32e-27 . . . . 6988 1 11 no PDB 1GB1 . "A Novel, Highly Stable Fold Of The Immunoglobulin Binding Domain Of Streptococcal Protein G" . . . . . 50.00 56 98.15 98.15 1.18e-27 . . . . 6988 1 12 no PDB 1PGA . "Two Crystal Structures Of The B1 Immunoglobulin-Binding Domain Of Streptococcal Protein G And Comparison With Nmr" . . . . . 50.00 56 98.15 98.15 1.18e-27 . . . . 6988 1 13 no PDB 1PGB . "Two Crystal Structures Of The B1 Immunoglobulin-Binding Domain Of Streptoccocal Protein G And Comparison With Nmr" . . . . . 50.00 56 98.15 98.15 1.18e-27 . . . . 6988 1 14 no PDB 1PN5 . "Nmr Structure Of The Nalp1 Pyrin Domain (Pyd)" . . . . . 52.78 159 98.25 98.25 2.50e-29 . . . . 6988 1 15 no PDB 2CWB . "Solution Structure Of The Ubiquitin-Associated Domain Of Human Bmsc-Ubp And Its Complex With Ubiquitin" . . . . . 100.00 108 100.00 100.00 4.97e-72 . . . . 6988 1 16 no PDB 2DEN . "Solution Structure Of The Ubiquitin-Associated Domain Of Human Bmsc-Ubp And Its Complex With Ubiquitin" . . . . . 100.00 108 100.00 100.00 4.97e-72 . . . . 6988 1 17 no PDB 2GB1 . "A Novel, Highly Stable Fold Of The Immunoglobulin Binding Domain Of Streptococcal Protein G" . . . . . 50.00 56 98.15 98.15 1.18e-27 . . . . 6988 1 18 no PDB 2GI9 . "Backbone Conformational Constraints In A Microcrystalline U- 15n-Labeled Protein By 3d Dipolar-Shift Solid-State Nmr Spectrosco" . . . . . 50.93 56 98.18 98.18 2.01e-28 . . . . 6988 1 19 no PDB 2JSV . "Dipole Tensor-Based Refinement For Atomic-Resolution Structure Determination Of A Nanocrystalline Protein By Solid-State Nmr Sp" . . . . . 50.93 56 98.18 98.18 2.01e-28 . . . . 6988 1 20 no PDB 2JU6 . "Solid-State Protein Structure Determination With Proton- Detected Triple Resonance 3d Magic-Angle Spinning Nmr Spectroscopy" . . . . . 50.93 56 98.18 98.18 2.01e-28 . . . . 6988 1 21 no PDB 2K0P . "Determination Of A Protein Structure In The Solid State From Nmr Chemical Shifts" . . . . . 50.93 56 98.18 98.18 2.01e-28 . . . . 6988 1 22 no PDB 2KHU . "Solution Structure Of The Ubiquitin-Binding Motif Of Human Polymerase Iota" . . . . . 52.78 108 98.25 98.25 2.40e-29 . . . . 6988 1 23 no PDB 2KHW . "Solution Structure Of The Human Polymerase Iota Ubm2- Ubiquitin Complex" . . . . . 52.78 108 98.25 98.25 2.40e-29 . . . . 6988 1 24 no PDB 2KQ4 . "Atomic Resolution Protein Structure Determination By Three- Dimensional Transferred Echo Double Resonance Solid-State Nuclear M" . . . . . 50.93 56 98.18 98.18 2.01e-28 . . . . 6988 1 25 no PDB 2KWD . "Supramolecular Protein Structure Determination By Site-Speci Range Intermolecular Solid State Nmr Spectroscopy" . . . . . 50.93 56 98.18 98.18 2.01e-28 . . . . 6988 1 26 no PDB 2LGI . "Atomic Resolution Protein Structures Using Nmr Chemical Shift Tensors" . . . . . 50.93 56 98.18 98.18 2.01e-28 . . . . 6988 1 27 no PDB 2QMT . "Crystal Polymorphism Of Protein Gb1 Examined By Solid-State Nmr And X-Ray Diffraction" . . . . . 50.93 56 98.18 98.18 2.01e-28 . . . . 6988 1 28 no PDB 3GB1 . "Structures Of B1 Domain Of Streptococcal Protein G" . . . . . 50.00 56 98.15 98.15 1.18e-27 . . . . 6988 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'BMSC-UbP UBA domain' . 6988 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 . 6988 1 2 . HIS . 6988 1 3 . HIS . 6988 1 4 . HIS . 6988 1 5 . HIS . 6988 1 6 . HIS . 6988 1 7 . HIS . 6988 1 8 . GLN . 6988 1 9 . TYR . 6988 1 10 . LYS . 6988 1 11 . LEU . 6988 1 12 . ALA . 6988 1 13 . LEU . 6988 1 14 . ASN . 6988 1 15 . GLY . 6988 1 16 . LYS . 6988 1 17 . THR . 6988 1 18 . LEU . 6988 1 19 . LYS . 6988 1 20 . GLY . 6988 1 21 . GLU . 6988 1 22 . THR . 6988 1 23 . THR . 6988 1 24 . THR . 6988 1 25 . GLU . 6988 1 26 . ALA . 6988 1 27 . VAL . 6988 1 28 . ASP . 6988 1 29 . ALA . 6988 1 30 . ALA . 6988 1 31 . THR . 6988 1 32 . ALA . 6988 1 33 . GLU . 6988 1 34 . LYS . 6988 1 35 . VAL . 6988 1 36 . PHE . 6988 1 37 . LYS . 6988 1 38 . GLN . 6988 1 39 . TYR . 6988 1 40 . ALA . 6988 1 41 . ASN . 6988 1 42 . ASP . 6988 1 43 . ASN . 6988 1 44 . GLY . 6988 1 45 . VAL . 6988 1 46 . ASP . 6988 1 47 . GLY . 6988 1 48 . GLU . 6988 1 49 . TRP . 6988 1 50 . THR . 6988 1 51 . TYR . 6988 1 52 . ASP . 6988 1 53 . ASP . 6988 1 54 . ALA . 6988 1 55 . THR . 6988 1 56 . LYS . 6988 1 57 . THR . 6988 1 58 . PHE . 6988 1 59 . THR . 6988 1 60 . VAL . 6988 1 61 . THR . 6988 1 62 . GLU . 6988 1 63 . GLY . 6988 1 64 . SER . 6988 1 65 . GLN . 6988 1 66 . TRP . 6988 1 67 . GLN . 6988 1 68 . PRO . 6988 1 69 . GLN . 6988 1 70 . LEU . 6988 1 71 . GLN . 6988 1 72 . GLN . 6988 1 73 . LEU . 6988 1 74 . ARG . 6988 1 75 . ASP . 6988 1 76 . MET . 6988 1 77 . GLY . 6988 1 78 . ILE . 6988 1 79 . GLN . 6988 1 80 . ASP . 6988 1 81 . ASP . 6988 1 82 . GLU . 6988 1 83 . LEU . 6988 1 84 . SER . 6988 1 85 . LEU . 6988 1 86 . ARG . 6988 1 87 . ALA . 6988 1 88 . LEU . 6988 1 89 . GLN . 6988 1 90 . ALA . 6988 1 91 . THR . 6988 1 92 . GLY . 6988 1 93 . GLY . 6988 1 94 . ASP . 6988 1 95 . ILE . 6988 1 96 . GLN . 6988 1 97 . ALA . 6988 1 98 . ALA . 6988 1 99 . LEU . 6988 1 100 . GLU . 6988 1 101 . LEU . 6988 1 102 . ILE . 6988 1 103 . PHE . 6988 1 104 . ALA . 6988 1 105 . GLY . 6988 1 106 . GLY . 6988 1 107 . ALA . 6988 1 108 . PRO . 6988 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 6988 1 . HIS 2 2 6988 1 . HIS 3 3 6988 1 . HIS 4 4 6988 1 . HIS 5 5 6988 1 . HIS 6 6 6988 1 . HIS 7 7 6988 1 . GLN 8 8 6988 1 . TYR 9 9 6988 1 . LYS 10 10 6988 1 . LEU 11 11 6988 1 . ALA 12 12 6988 1 . LEU 13 13 6988 1 . ASN 14 14 6988 1 . GLY 15 15 6988 1 . LYS 16 16 6988 1 . THR 17 17 6988 1 . LEU 18 18 6988 1 . LYS 19 19 6988 1 . GLY 20 20 6988 1 . GLU 21 21 6988 1 . THR 22 22 6988 1 . THR 23 23 6988 1 . THR 24 24 6988 1 . GLU 25 25 6988 1 . ALA 26 26 6988 1 . VAL 27 27 6988 1 . ASP 28 28 6988 1 . ALA 29 29 6988 1 . ALA 30 30 6988 1 . THR 31 31 6988 1 . ALA 32 32 6988 1 . GLU 33 33 6988 1 . LYS 34 34 6988 1 . VAL 35 35 6988 1 . PHE 36 36 6988 1 . LYS 37 37 6988 1 . GLN 38 38 6988 1 . TYR 39 39 6988 1 . ALA 40 40 6988 1 . ASN 41 41 6988 1 . ASP 42 42 6988 1 . ASN 43 43 6988 1 . GLY 44 44 6988 1 . VAL 45 45 6988 1 . ASP 46 46 6988 1 . GLY 47 47 6988 1 . GLU 48 48 6988 1 . TRP 49 49 6988 1 . THR 50 50 6988 1 . TYR 51 51 6988 1 . ASP 52 52 6988 1 . ASP 53 53 6988 1 . ALA 54 54 6988 1 . THR 55 55 6988 1 . LYS 56 56 6988 1 . THR 57 57 6988 1 . PHE 58 58 6988 1 . THR 59 59 6988 1 . VAL 60 60 6988 1 . THR 61 61 6988 1 . GLU 62 62 6988 1 . GLY 63 63 6988 1 . SER 64 64 6988 1 . GLN 65 65 6988 1 . TRP 66 66 6988 1 . GLN 67 67 6988 1 . PRO 68 68 6988 1 . GLN 69 69 6988 1 . LEU 70 70 6988 1 . GLN 71 71 6988 1 . GLN 72 72 6988 1 . LEU 73 73 6988 1 . ARG 74 74 6988 1 . ASP 75 75 6988 1 . MET 76 76 6988 1 . GLY 77 77 6988 1 . ILE 78 78 6988 1 . GLN 79 79 6988 1 . ASP 80 80 6988 1 . ASP 81 81 6988 1 . GLU 82 82 6988 1 . LEU 83 83 6988 1 . SER 84 84 6988 1 . LEU 85 85 6988 1 . ARG 86 86 6988 1 . ALA 87 87 6988 1 . LEU 88 88 6988 1 . GLN 89 89 6988 1 . ALA 90 90 6988 1 . THR 91 91 6988 1 . GLY 92 92 6988 1 . GLY 93 93 6988 1 . ASP 94 94 6988 1 . ILE 95 95 6988 1 . GLN 96 96 6988 1 . ALA 97 97 6988 1 . ALA 98 98 6988 1 . LEU 99 99 6988 1 . GLU 100 100 6988 1 . LEU 101 101 6988 1 . ILE 102 102 6988 1 . PHE 103 103 6988 1 . ALA 104 104 6988 1 . GLY 105 105 6988 1 . GLY 106 106 6988 1 . ALA 107 107 6988 1 . PRO 108 108 6988 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 6988 _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 $HGB1-UBA . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6988 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 6988 _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 $HGB1-UBA . 'recombinant technology' . 'E. coli' . . . . BL21 . . . . . . . . . . . . . . . . . . . . . . 6988 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6988 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HGB1-UBA '[U-13C; U-15N]' . . 1 $HGB1-UBA . protein 1 . . mM . . . . 6988 1 2 PBS . . . . . . buffer 200 . . mM . . . . 6988 1 3 NaCl . . . . . . salt 100 . . mM . . . . 6988 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6988 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20mM PBS, 100mM NaCl, pH6.5' 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 pH 6.5 . pH 6988 1 temperature 298 0.1 K 6988 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6988 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details 'T. D. Goddard and D. G. Kneller, SPARKY 3.' 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 6988 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6988 _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 1H15N_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6988 1 2 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6988 1 3 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6988 1 4 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6988 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6988 _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 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6988 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6988 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6988 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6988 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 1H15N_HSQC 1 $sample_1 isotropic 6988 1 . HNCACB 1 $sample_1 isotropic 6988 1 . CBCA(CO)NH 1 $sample_1 isotropic 6988 1 . HCCH-TOCSY 1 $sample_1 isotropic 6988 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 H H 1 7.759 0.002 . 1 . . . . 1 MET HN . 6988 1 2 . 1 1 1 1 MET N N 15 122.832 0.010 . 1 . . . . 1 MET N . 6988 1 3 . 1 1 6 6 HIS HA H 1 4.555 0.002 . 1 . . . . 6 HIS HA . 6988 1 4 . 1 1 6 6 HIS HB2 H 1 2.884 0.002 . 2 . . . . 6 HIS HB# . 6988 1 5 . 1 1 6 6 HIS HB3 H 1 2.884 0.002 . 2 . . . . 6 HIS HB# . 6988 1 6 . 1 1 6 6 HIS C C 13 172.756 0.020 . 1 . . . . 6 HIS C . 6988 1 7 . 1 1 6 6 HIS CA C 13 55.314 0.022 . 1 . . . . 6 HIS CA . 6988 1 8 . 1 1 6 6 HIS CB C 13 31.331 0.020 . 1 . . . . 6 HIS CB . 6988 1 9 . 1 1 7 7 HIS H H 1 8.468 0.002 . 1 . . . . 7 HIS HN . 6988 1 10 . 1 1 7 7 HIS HA H 1 4.778 0.014 . 1 . . . . 7 HIS HA . 6988 1 11 . 1 1 7 7 HIS HB2 H 1 2.768 0.003 . 2 . . . . 7 HIS HB1 . 6988 1 12 . 1 1 7 7 HIS HB3 H 1 2.925 0.003 . 2 . . . . 7 HIS HB2 . 6988 1 13 . 1 1 7 7 HIS C C 13 171.857 0.020 . 1 . . . . 7 HIS C . 6988 1 14 . 1 1 7 7 HIS CA C 13 55.070 0.027 . 1 . . . . 7 HIS CA . 6988 1 15 . 1 1 7 7 HIS CB C 13 32.538 0.054 . 1 . . . . 7 HIS CB . 6988 1 16 . 1 1 7 7 HIS N N 15 118.898 0.025 . 1 . . . . 7 HIS N . 6988 1 17 . 1 1 8 8 GLN H H 1 8.341 0.005 . 1 . . . . 8 GLN HN . 6988 1 18 . 1 1 8 8 GLN HA H 1 4.953 0.005 . 1 . . . . 8 GLN HA . 6988 1 19 . 1 1 8 8 GLN HB2 H 1 2.040 0.009 . 2 . . . . 8 GLN HB# . 6988 1 20 . 1 1 8 8 GLN HB3 H 1 2.040 0.009 . 2 . . . . 8 GLN HB# . 6988 1 21 . 1 1 8 8 GLN HG2 H 1 2.141 0.003 . 2 . . . . 8 GLN HG1 . 6988 1 22 . 1 1 8 8 GLN HG3 H 1 2.383 0.004 . 2 . . . . 8 GLN HG2 . 6988 1 23 . 1 1 8 8 GLN C C 13 173.808 0.020 . 1 . . . . 8 GLN C . 6988 1 24 . 1 1 8 8 GLN CA C 13 55.716 0.050 . 1 . . . . 8 GLN CA . 6988 1 25 . 1 1 8 8 GLN CB C 13 30.438 0.051 . 1 . . . . 8 GLN CB . 6988 1 26 . 1 1 8 8 GLN CG C 13 35.132 0.088 . 1 . . . . 8 GLN CG . 6988 1 27 . 1 1 8 8 GLN N N 15 119.989 0.132 . 1 . . . . 8 GLN N . 6988 1 28 . 1 1 9 9 TYR H H 1 9.234 0.007 . 1 . . . . 9 TYR HN . 6988 1 29 . 1 1 9 9 TYR HA H 1 5.394 0.002 . 1 . . . . 9 TYR HA . 6988 1 30 . 1 1 9 9 TYR HB2 H 1 2.835 0.005 . 2 . . . . 9 TYR HB1 . 6988 1 31 . 1 1 9 9 TYR HB3 H 1 3.396 0.006 . 2 . . . . 9 TYR HB2 . 6988 1 32 . 1 1 9 9 TYR C C 13 173.643 0.020 . 1 . . . . 9 TYR C . 6988 1 33 . 1 1 9 9 TYR CA C 13 57.424 0.051 . 1 . . . . 9 TYR CA . 6988 1 34 . 1 1 9 9 TYR CB C 13 43.126 0.057 . 1 . . . . 9 TYR CB . 6988 1 35 . 1 1 9 9 TYR N N 15 125.110 0.058 . 1 . . . . 9 TYR N . 6988 1 36 . 1 1 10 10 LYS H H 1 9.163 0.005 . 1 . . . . 10 LYS HN . 6988 1 37 . 1 1 10 10 LYS HA H 1 5.242 0.004 . 1 . . . . 10 LYS HA . 6988 1 38 . 1 1 10 10 LYS HB2 H 1 1.952 0.006 . 2 . . . . 10 LYS HB# . 6988 1 39 . 1 1 10 10 LYS HB3 H 1 1.952 0.006 . 2 . . . . 10 LYS HB# . 6988 1 40 . 1 1 10 10 LYS HG2 H 1 1.474 0.004 . 2 . . . . 10 LYS HG1 . 6988 1 41 . 1 1 10 10 LYS HG3 H 1 1.322 0.003 . 2 . . . . 10 LYS HG2 . 6988 1 42 . 1 1 10 10 LYS HD2 H 1 1.622 0.002 . 2 . . . . 10 LYS HD# . 6988 1 43 . 1 1 10 10 LYS HD3 H 1 1.622 0.002 . 2 . . . . 10 LYS HD# . 6988 1 44 . 1 1 10 10 LYS HE2 H 1 2.838 0.009 . 2 . . . . 10 LYS HE# . 6988 1 45 . 1 1 10 10 LYS HE3 H 1 2.838 0.009 . 2 . . . . 10 LYS HE# . 6988 1 46 . 1 1 10 10 LYS C C 13 171.684 0.020 . 1 . . . . 10 LYS C . 6988 1 47 . 1 1 10 10 LYS CA C 13 55.276 0.040 . 1 . . . . 10 LYS CA . 6988 1 48 . 1 1 10 10 LYS CB C 13 36.230 0.070 . 1 . . . . 10 LYS CB . 6988 1 49 . 1 1 10 10 LYS CG C 13 25.556 0.053 . 1 . . . . 10 LYS CG . 6988 1 50 . 1 1 10 10 LYS CD C 13 28.986 0.020 . 1 . . . . 10 LYS CD . 6988 1 51 . 1 1 10 10 LYS CE C 13 41.999 0.020 . 1 . . . . 10 LYS CE . 6988 1 52 . 1 1 10 10 LYS N N 15 121.958 0.040 . 1 . . . . 10 LYS N . 6988 1 53 . 1 1 11 11 LEU H H 1 8.527 0.003 . 1 . . . . 11 LEU HN . 6988 1 54 . 1 1 11 11 LEU HA H 1 4.908 0.005 . 1 . . . . 11 LEU HA . 6988 1 55 . 1 1 11 11 LEU HB2 H 1 0.839 0.010 . 2 . . . . 11 LEU HB1 . 6988 1 56 . 1 1 11 11 LEU HG H 1 0.579 0.003 . 1 . . . . 11 LEU HG . 6988 1 57 . 1 1 11 11 LEU HD11 H 1 0.486 0.009 . 2 . . . . 11 LEU HD1# . 6988 1 58 . 1 1 11 11 LEU HD12 H 1 0.486 0.009 . 2 . . . . 11 LEU HD1# . 6988 1 59 . 1 1 11 11 LEU HD13 H 1 0.486 0.009 . 2 . . . . 11 LEU HD1# . 6988 1 60 . 1 1 11 11 LEU HD21 H 1 0.486 0.009 . 2 . . . . 11 LEU HD2# . 6988 1 61 . 1 1 11 11 LEU HD22 H 1 0.486 0.009 . 2 . . . . 11 LEU HD2# . 6988 1 62 . 1 1 11 11 LEU HD23 H 1 0.486 0.009 . 2 . . . . 11 LEU HD2# . 6988 1 63 . 1 1 11 11 LEU C C 13 172.726 0.020 . 1 . . . . 11 LEU C . 6988 1 64 . 1 1 11 11 LEU CA C 13 52.704 0.039 . 1 . . . . 11 LEU CA . 6988 1 65 . 1 1 11 11 LEU CB C 13 42.489 0.062 . 1 . . . . 11 LEU CB . 6988 1 66 . 1 1 11 11 LEU CG C 13 26.195 0.035 . 1 . . . . 11 LEU CG . 6988 1 67 . 1 1 11 11 LEU CD1 C 13 24.543 0.068 . 2 . . . . 11 LEU CD . 6988 1 68 . 1 1 11 11 LEU CD2 C 13 24.543 0.068 . 2 . . . . 11 LEU CD . 6988 1 69 . 1 1 11 11 LEU N N 15 125.789 0.031 . 1 . . . . 11 LEU N . 6988 1 70 . 1 1 12 12 ALA H H 1 9.238 0.003 . 1 . . . . 12 ALA HN . 6988 1 71 . 1 1 12 12 ALA HA H 1 4.754 0.006 . 1 . . . . 12 ALA HA . 6988 1 72 . 1 1 12 12 ALA HB1 H 1 1.298 0.007 . 2 . . . . 12 ALA HB# . 6988 1 73 . 1 1 12 12 ALA HB2 H 1 1.298 0.007 . 2 . . . . 12 ALA HB# . 6988 1 74 . 1 1 12 12 ALA HB3 H 1 1.298 0.007 . 2 . . . . 12 ALA HB# . 6988 1 75 . 1 1 12 12 ALA C C 13 173.667 0.020 . 1 . . . . 12 ALA C . 6988 1 76 . 1 1 12 12 ALA CA C 13 50.692 0.035 . 1 . . . . 12 ALA CA . 6988 1 77 . 1 1 12 12 ALA CB C 13 19.726 0.101 . 1 . . . . 12 ALA CB . 6988 1 78 . 1 1 12 12 ALA N N 15 130.030 0.015 . 1 . . . . 12 ALA N . 6988 1 79 . 1 1 13 13 LEU H H 1 8.517 0.003 . 1 . . . . 13 LEU HN . 6988 1 80 . 1 1 13 13 LEU HA H 1 4.448 0.004 . 1 . . . . 13 LEU HA . 6988 1 81 . 1 1 13 13 LEU HB2 H 1 1.421 0.006 . 2 . . . . 13 LEU HB# . 6988 1 82 . 1 1 13 13 LEU HB3 H 1 1.421 0.006 . 2 . . . . 13 LEU HB# . 6988 1 83 . 1 1 13 13 LEU HG H 1 1.322 0.002 . 1 . . . . 13 LEU HG . 6988 1 84 . 1 1 13 13 LEU HD11 H 1 0.752 0.011 . 2 . . . . 13 LEU HD1# . 6988 1 85 . 1 1 13 13 LEU HD12 H 1 0.752 0.011 . 2 . . . . 13 LEU HD1# . 6988 1 86 . 1 1 13 13 LEU HD13 H 1 0.752 0.011 . 2 . . . . 13 LEU HD1# . 6988 1 87 . 1 1 13 13 LEU HD21 H 1 0.752 0.011 . 2 . . . . 13 LEU HD2# . 6988 1 88 . 1 1 13 13 LEU HD22 H 1 0.752 0.011 . 2 . . . . 13 LEU HD2# . 6988 1 89 . 1 1 13 13 LEU HD23 H 1 0.752 0.011 . 2 . . . . 13 LEU HD2# . 6988 1 90 . 1 1 13 13 LEU C C 13 173.870 0.020 . 1 . . . . 13 LEU C . 6988 1 91 . 1 1 13 13 LEU CA C 13 54.489 0.033 . 1 . . . . 13 LEU CA . 6988 1 92 . 1 1 13 13 LEU CB C 13 42.657 0.046 . 1 . . . . 13 LEU CB . 6988 1 93 . 1 1 13 13 LEU CG C 13 27.461 0.020 . 1 . . . . 13 LEU CG . 6988 1 94 . 1 1 13 13 LEU CD1 C 13 25.961 0.020 . 2 . . . . 13 LEU CD . 6988 1 95 . 1 1 13 13 LEU CD2 C 13 25.961 0.020 . 2 . . . . 13 LEU CD . 6988 1 96 . 1 1 13 13 LEU N N 15 122.282 0.069 . 1 . . . . 13 LEU N . 6988 1 97 . 1 1 14 14 ASN H H 1 8.758 0.003 . 1 . . . . 14 ASN HN . 6988 1 98 . 1 1 14 14 ASN HA H 1 5.177 0.006 . 1 . . . . 14 ASN HA . 6988 1 99 . 1 1 14 14 ASN HB2 H 1 2.644 0.004 . 2 . . . . 14 ASN HB1 . 6988 1 100 . 1 1 14 14 ASN HB3 H 1 2.889 0.007 . 2 . . . . 14 ASN HB2 . 6988 1 101 . 1 1 14 14 ASN C C 13 173.570 0.020 . 1 . . . . 14 ASN C . 6988 1 102 . 1 1 14 14 ASN CA C 13 51.615 0.046 . 1 . . . . 14 ASN CA . 6988 1 103 . 1 1 14 14 ASN CB C 13 38.580 0.046 . 1 . . . . 14 ASN CB . 6988 1 104 . 1 1 14 14 ASN N N 15 125.313 0.028 . 1 . . . . 14 ASN N . 6988 1 105 . 1 1 15 15 GLY H H 1 7.984 0.003 . 1 . . . . 15 GLY HN . 6988 1 106 . 1 1 15 15 GLY HA2 H 1 4.026 0.003 . 2 . . . . 15 GLY HA1 . 6988 1 107 . 1 1 15 15 GLY HA3 H 1 4.420 0.005 . 2 . . . . 15 GLY HA2 . 6988 1 108 . 1 1 15 15 GLY C C 13 171.924 0.020 . 1 . . . . 15 GLY C . 6988 1 109 . 1 1 15 15 GLY CA C 13 44.783 0.028 . 1 . . . . 15 GLY CA . 6988 1 110 . 1 1 15 15 GLY N N 15 110.114 0.037 . 1 . . . . 15 GLY N . 6988 1 111 . 1 1 16 16 LYS H H 1 9.089 0.004 . 1 . . . . 16 LYS HN . 6988 1 112 . 1 1 16 16 LYS HA H 1 4.064 0.006 . 1 . . . . 16 LYS HA . 6988 1 113 . 1 1 16 16 LYS HB2 H 1 1.817 0.006 . 2 . . . . 16 LYS HB# . 6988 1 114 . 1 1 16 16 LYS HB3 H 1 1.817 0.006 . 2 . . . . 16 LYS HB# . 6988 1 115 . 1 1 16 16 LYS HG2 H 1 1.445 0.006 . 2 . . . . 16 LYS HG# . 6988 1 116 . 1 1 16 16 LYS HG3 H 1 1.445 0.006 . 2 . . . . 16 LYS HG# . 6988 1 117 . 1 1 16 16 LYS HD2 H 1 1.670 0.009 . 2 . . . . 16 LYS HD# . 6988 1 118 . 1 1 16 16 LYS HD3 H 1 1.670 0.009 . 2 . . . . 16 LYS HD# . 6988 1 119 . 1 1 16 16 LYS HE2 H 1 2.946 0.006 . 2 . . . . 16 LYS HE# . 6988 1 120 . 1 1 16 16 LYS HE3 H 1 2.946 0.006 . 2 . . . . 16 LYS HE# . 6988 1 121 . 1 1 16 16 LYS C C 13 177.059 0.020 . 1 . . . . 16 LYS C . 6988 1 122 . 1 1 16 16 LYS CA C 13 58.979 0.074 . 1 . . . . 16 LYS CA . 6988 1 123 . 1 1 16 16 LYS CB C 13 32.733 0.041 . 1 . . . . 16 LYS CB . 6988 1 124 . 1 1 16 16 LYS CG C 13 25.179 0.106 . 1 . . . . 16 LYS CG . 6988 1 125 . 1 1 16 16 LYS CD C 13 29.010 0.002 . 1 . . . . 16 LYS CD . 6988 1 126 . 1 1 16 16 LYS CE C 13 41.865 0.044 . 1 . . . . 16 LYS CE . 6988 1 127 . 1 1 16 16 LYS N N 15 121.041 0.034 . 1 . . . . 16 LYS N . 6988 1 128 . 1 1 17 17 THR H H 1 8.768 0.005 . 1 . . . . 17 THR HN . 6988 1 129 . 1 1 17 17 THR HA H 1 4.358 0.004 . 1 . . . . 17 THR HA . 6988 1 130 . 1 1 17 17 THR HB H 1 4.229 0.005 . 1 . . . . 17 THR HB . 6988 1 131 . 1 1 17 17 THR HG21 H 1 1.150 0.009 . 2 . . . . 17 THR HG# . 6988 1 132 . 1 1 17 17 THR HG22 H 1 1.150 0.009 . 2 . . . . 17 THR HG# . 6988 1 133 . 1 1 17 17 THR HG23 H 1 1.150 0.009 . 2 . . . . 17 THR HG# . 6988 1 134 . 1 1 17 17 THR C C 13 172.446 0.020 . 1 . . . . 17 THR C . 6988 1 135 . 1 1 17 17 THR CA C 13 62.183 0.084 . 1 . . . . 17 THR CA . 6988 1 136 . 1 1 17 17 THR CB C 13 69.745 0.086 . 1 . . . . 17 THR CB . 6988 1 137 . 1 1 17 17 THR CG2 C 13 21.878 0.118 . 1 . . . . 17 THR CG . 6988 1 138 . 1 1 17 17 THR N N 15 109.466 0.007 . 1 . . . . 17 THR N . 6988 1 139 . 1 1 18 18 LEU H H 1 7.366 0.002 . 1 . . . . 18 LEU HN . 6988 1 140 . 1 1 18 18 LEU HA H 1 4.446 0.005 . 1 . . . . 18 LEU HA . 6988 1 141 . 1 1 18 18 LEU HB2 H 1 1.427 0.002 . 2 . . . . 18 LEU HB1 . 6988 1 142 . 1 1 18 18 LEU HB3 H 1 1.523 0.003 . 2 . . . . 18 LEU HB2 . 6988 1 143 . 1 1 18 18 LEU HG H 1 1.419 0.006 . 1 . . . . 18 LEU HG . 6988 1 144 . 1 1 18 18 LEU HD11 H 1 0.869 0.002 . 2 . . . . 18 LEU HD1# . 6988 1 145 . 1 1 18 18 LEU HD12 H 1 0.869 0.002 . 2 . . . . 18 LEU HD1# . 6988 1 146 . 1 1 18 18 LEU HD13 H 1 0.869 0.002 . 2 . . . . 18 LEU HD1# . 6988 1 147 . 1 1 18 18 LEU HD21 H 1 0.790 0.003 . 2 . . . . 18 LEU HD2# . 6988 1 148 . 1 1 18 18 LEU HD22 H 1 0.790 0.003 . 2 . . . . 18 LEU HD2# . 6988 1 149 . 1 1 18 18 LEU HD23 H 1 0.790 0.003 . 2 . . . . 18 LEU HD2# . 6988 1 150 . 1 1 18 18 LEU C C 13 172.213 0.020 . 1 . . . . 18 LEU C . 6988 1 151 . 1 1 18 18 LEU CA C 13 55.073 0.061 . 1 . . . . 18 LEU CA . 6988 1 152 . 1 1 18 18 LEU CB C 13 43.718 0.023 . 1 . . . . 18 LEU CB . 6988 1 153 . 1 1 18 18 LEU CG C 13 27.440 0.029 . 1 . . . . 18 LEU CG . 6988 1 154 . 1 1 18 18 LEU CD1 C 13 24.177 0.047 . 2 . . . . 18 LEU CD1 . 6988 1 155 . 1 1 18 18 LEU CD2 C 13 25.321 0.037 . 2 . . . . 18 LEU CD2 . 6988 1 156 . 1 1 18 18 LEU N N 15 124.580 0.021 . 1 . . . . 18 LEU N . 6988 1 157 . 1 1 19 19 LYS H H 1 8.166 0.003 . 1 . . . . 19 LYS HN . 6988 1 158 . 1 1 19 19 LYS HA H 1 5.029 0.008 . 1 . . . . 19 LYS HA . 6988 1 159 . 1 1 19 19 LYS HB2 H 1 1.747 0.011 . 2 . . . . 19 LYS HB1 . 6988 1 160 . 1 1 19 19 LYS HB3 H 1 1.867 0.006 . 2 . . . . 19 LYS HB2 . 6988 1 161 . 1 1 19 19 LYS HG2 H 1 1.453 0.007 . 2 . . . . 19 LYS HG# . 6988 1 162 . 1 1 19 19 LYS HG3 H 1 1.453 0.007 . 2 . . . . 19 LYS HG# . 6988 1 163 . 1 1 19 19 LYS HD2 H 1 1.717 0.009 . 2 . . . . 19 LYS HD# . 6988 1 164 . 1 1 19 19 LYS HD3 H 1 1.717 0.009 . 2 . . . . 19 LYS HD# . 6988 1 165 . 1 1 19 19 LYS HE2 H 1 2.954 0.005 . 2 . . . . 19 LYS HE1 . 6988 1 166 . 1 1 19 19 LYS HE3 H 1 2.986 0.009 . 2 . . . . 19 LYS HE2 . 6988 1 167 . 1 1 19 19 LYS C C 13 174.746 0.020 . 1 . . . . 19 LYS C . 6988 1 168 . 1 1 19 19 LYS CA C 13 54.281 0.047 . 1 . . . . 19 LYS CA . 6988 1 169 . 1 1 19 19 LYS CB C 13 34.882 0.095 . 1 . . . . 19 LYS CB . 6988 1 170 . 1 1 19 19 LYS CG C 13 25.235 0.066 . 1 . . . . 19 LYS CG . 6988 1 171 . 1 1 19 19 LYS CD C 13 29.212 0.040 . 1 . . . . 19 LYS CD . 6988 1 172 . 1 1 19 19 LYS CE C 13 42.438 0.036 . 1 . . . . 19 LYS CE . 6988 1 173 . 1 1 19 19 LYS N N 15 123.975 0.050 . 1 . . . . 19 LYS N . 6988 1 174 . 1 1 20 20 GLY H H 1 8.398 0.002 . 1 . . . . 20 GLY HN . 6988 1 175 . 1 1 20 20 GLY HA2 H 1 4.202 0.008 . 2 . . . . 20 GLY HA# . 6988 1 176 . 1 1 20 20 GLY HA3 H 1 4.202 0.008 . 2 . . . . 20 GLY HA# . 6988 1 177 . 1 1 20 20 GLY C C 13 170.263 0.020 . 1 . . . . 20 GLY C . 6988 1 178 . 1 1 20 20 GLY CA C 13 45.088 0.032 . 1 . . . . 20 GLY CA . 6988 1 179 . 1 1 20 20 GLY N N 15 109.841 0.038 . 1 . . . . 20 GLY N . 6988 1 180 . 1 1 21 21 GLU H H 1 8.443 0.001 . 1 . . . . 21 GLU HN . 6988 1 181 . 1 1 21 21 GLU HA H 1 5.583 0.008 . 1 . . . . 21 GLU HA . 6988 1 182 . 1 1 21 21 GLU HB2 H 1 1.926 0.002 . 2 . . . . 21 GLU HB1 . 6988 1 183 . 1 1 21 21 GLU HB3 H 1 1.993 0.001 . 2 . . . . 21 GLU HB2 . 6988 1 184 . 1 1 21 21 GLU HG2 H 1 2.137 0.003 . 2 . . . . 21 GLU HG# . 6988 1 185 . 1 1 21 21 GLU HG3 H 1 2.137 0.003 . 2 . . . . 21 GLU HG# . 6988 1 186 . 1 1 21 21 GLU C C 13 174.031 0.020 . 1 . . . . 21 GLU C . 6988 1 187 . 1 1 21 21 GLU CA C 13 54.837 0.030 . 1 . . . . 21 GLU CA . 6988 1 188 . 1 1 21 21 GLU CB C 13 33.893 0.114 . 1 . . . . 21 GLU CB . 6988 1 189 . 1 1 21 21 GLU CG C 13 36.502 0.055 . 1 . . . . 21 GLU CG . 6988 1 190 . 1 1 21 21 GLU N N 15 119.468 0.025 . 1 . . . . 21 GLU N . 6988 1 191 . 1 1 22 22 THR H H 1 8.555 0.004 . 1 . . . . 22 THR HN . 6988 1 192 . 1 1 22 22 THR HA H 1 4.715 0.006 . 1 . . . . 22 THR HA . 6988 1 193 . 1 1 22 22 THR HB H 1 3.881 0.002 . 1 . . . . 22 THR HB . 6988 1 194 . 1 1 22 22 THR HG21 H 1 0.456 0.008 . 2 . . . . 22 THR HG# . 6988 1 195 . 1 1 22 22 THR HG22 H 1 0.456 0.008 . 2 . . . . 22 THR HG# . 6988 1 196 . 1 1 22 22 THR HG23 H 1 0.456 0.008 . 2 . . . . 22 THR HG# . 6988 1 197 . 1 1 22 22 THR C C 13 170.714 0.020 . 1 . . . . 22 THR C . 6988 1 198 . 1 1 22 22 THR CA C 13 60.672 0.012 . 1 . . . . 22 THR CA . 6988 1 199 . 1 1 22 22 THR CB C 13 69.861 0.028 . 1 . . . . 22 THR CB . 6988 1 200 . 1 1 22 22 THR CG2 C 13 19.445 0.114 . 1 . . . . 22 THR CG . 6988 1 201 . 1 1 22 22 THR N N 15 115.829 0.024 . 1 . . . . 22 THR N . 6988 1 202 . 1 1 23 23 THR H H 1 8.102 0.004 . 1 . . . . 23 THR HN . 6988 1 203 . 1 1 23 23 THR HA H 1 5.829 0.006 . 1 . . . . 23 THR HA . 6988 1 204 . 1 1 23 23 THR HB H 1 4.305 0.005 . 1 . . . . 23 THR HB . 6988 1 205 . 1 1 23 23 THR HG21 H 1 1.190 0.006 . 2 . . . . 23 THR HG# . 6988 1 206 . 1 1 23 23 THR HG22 H 1 1.190 0.006 . 2 . . . . 23 THR HG# . 6988 1 207 . 1 1 23 23 THR HG23 H 1 1.190 0.006 . 2 . . . . 23 THR HG# . 6988 1 208 . 1 1 23 23 THR C C 13 172.664 0.020 . 1 . . . . 23 THR C . 6988 1 209 . 1 1 23 23 THR CA C 13 60.050 0.056 . 1 . . . . 23 THR CA . 6988 1 210 . 1 1 23 23 THR CB C 13 73.255 0.048 . 1 . . . . 23 THR CB . 6988 1 211 . 1 1 23 23 THR CG2 C 13 21.560 0.054 . 1 . . . . 23 THR CG . 6988 1 212 . 1 1 23 23 THR N N 15 112.163 0.012 . 1 . . . . 23 THR N . 6988 1 213 . 1 1 24 24 THR H H 1 8.996 0.003 . 1 . . . . 24 THR HN . 6988 1 214 . 1 1 24 24 THR HA H 1 4.688 0.005 . 1 . . . . 24 THR HA . 6988 1 215 . 1 1 24 24 THR HB H 1 3.886 0.004 . 1 . . . . 24 THR HB . 6988 1 216 . 1 1 24 24 THR HG21 H 1 0.512 0.007 . 2 . . . . 24 THR HG# . 6988 1 217 . 1 1 24 24 THR HG22 H 1 0.512 0.007 . 2 . . . . 24 THR HG# . 6988 1 218 . 1 1 24 24 THR HG23 H 1 0.512 0.007 . 2 . . . . 24 THR HG# . 6988 1 219 . 1 1 24 24 THR C C 13 169.766 0.020 . 1 . . . . 24 THR C . 6988 1 220 . 1 1 24 24 THR CA C 13 62.320 0.116 . 1 . . . . 24 THR CA . 6988 1 221 . 1 1 24 24 THR CB C 13 70.016 0.029 . 1 . . . . 24 THR CB . 6988 1 222 . 1 1 24 24 THR CG2 C 13 19.127 0.116 . 1 . . . . 24 THR CG . 6988 1 223 . 1 1 24 24 THR N N 15 115.151 0.043 . 1 . . . . 24 THR N . 6988 1 224 . 1 1 25 25 GLU H H 1 8.081 0.008 . 1 . . . . 25 GLU HN . 6988 1 225 . 1 1 25 25 GLU HA H 1 5.549 0.020 . 1 . . . . 25 GLU HA . 6988 1 226 . 1 1 25 25 GLU HB2 H 1 1.832 0.002 . 2 . . . . 25 GLU HB1 . 6988 1 227 . 1 1 25 25 GLU HB3 H 1 1.960 0.001 . 2 . . . . 25 GLU HB2 . 6988 1 228 . 1 1 25 25 GLU HG2 H 1 2.112 0.002 . 2 . . . . 25 GLU HG1 . 6988 1 229 . 1 1 25 25 GLU HG3 H 1 2.271 0.001 . 2 . . . . 25 GLU HG2 . 6988 1 230 . 1 1 25 25 GLU C C 13 174.738 0.020 . 1 . . . . 25 GLU C . 6988 1 231 . 1 1 25 25 GLU CA C 13 54.937 0.031 . 1 . . . . 25 GLU CA . 6988 1 232 . 1 1 25 25 GLU CB C 13 31.232 0.117 . 1 . . . . 25 GLU CB . 6988 1 233 . 1 1 25 25 GLU CG C 13 36.810 0.052 . 1 . . . . 25 GLU CG . 6988 1 234 . 1 1 25 25 GLU N N 15 124.697 0.079 . 1 . . . . 25 GLU N . 6988 1 235 . 1 1 26 26 ALA H H 1 9.193 0.002 . 1 . . . . 26 ALA HN . 6988 1 236 . 1 1 26 26 ALA HA H 1 4.816 0.012 . 1 . . . . 26 ALA HA . 6988 1 237 . 1 1 26 26 ALA HB1 H 1 1.352 0.009 . 2 . . . . 26 ALA HB# . 6988 1 238 . 1 1 26 26 ALA HB2 H 1 1.352 0.009 . 2 . . . . 26 ALA HB# . 6988 1 239 . 1 1 26 26 ALA HB3 H 1 1.352 0.009 . 2 . . . . 26 ALA HB# . 6988 1 240 . 1 1 26 26 ALA C C 13 175.549 0.020 . 1 . . . . 26 ALA C . 6988 1 241 . 1 1 26 26 ALA CA C 13 51.072 0.059 . 1 . . . . 26 ALA CA . 6988 1 242 . 1 1 26 26 ALA CB C 13 23.767 0.075 . 1 . . . . 26 ALA CB . 6988 1 243 . 1 1 26 26 ALA N N 15 124.664 0.021 . 1 . . . . 26 ALA N . 6988 1 244 . 1 1 27 27 VAL H H 1 8.532 0.013 . 1 . . . . 27 VAL HN . 6988 1 245 . 1 1 27 27 VAL HA H 1 4.126 0.005 . 1 . . . . 27 VAL HA . 6988 1 246 . 1 1 27 27 VAL HB H 1 2.056 0.006 . 1 . . . . 27 VAL HB . 6988 1 247 . 1 1 27 27 VAL HG11 H 1 0.921 0.002 . 2 . . . . 27 VAL HG1# . 6988 1 248 . 1 1 27 27 VAL HG12 H 1 0.921 0.002 . 2 . . . . 27 VAL HG1# . 6988 1 249 . 1 1 27 27 VAL HG13 H 1 0.921 0.002 . 2 . . . . 27 VAL HG1# . 6988 1 250 . 1 1 27 27 VAL HG21 H 1 0.839 0.004 . 2 . . . . 27 VAL HG2# . 6988 1 251 . 1 1 27 27 VAL HG22 H 1 0.839 0.004 . 2 . . . . 27 VAL HG2# . 6988 1 252 . 1 1 27 27 VAL HG23 H 1 0.839 0.004 . 2 . . . . 27 VAL HG2# . 6988 1 253 . 1 1 27 27 VAL C C 13 173.041 0.020 . 1 . . . . 27 VAL C . 6988 1 254 . 1 1 27 27 VAL CA C 13 63.370 0.033 . 1 . . . . 27 VAL CA . 6988 1 255 . 1 1 27 27 VAL CB C 13 32.167 0.079 . 1 . . . . 27 VAL CB . 6988 1 256 . 1 1 27 27 VAL CG1 C 13 20.152 0.064 . 2 . . . . 27 VAL CG1 . 6988 1 257 . 1 1 27 27 VAL CG2 C 13 20.808 0.075 . 2 . . . . 27 VAL CG2 . 6988 1 258 . 1 1 27 27 VAL N N 15 115.791 0.028 . 1 . . . . 27 VAL N . 6988 1 259 . 1 1 28 28 ASP H H 1 7.300 0.003 . 1 . . . . 28 ASP HN . 6988 1 260 . 1 1 28 28 ASP HA H 1 4.771 0.006 . 1 . . . . 28 ASP HA . 6988 1 261 . 1 1 28 28 ASP HB2 H 1 3.027 0.006 . 2 . . . . 28 ASP HB# . 6988 1 262 . 1 1 28 28 ASP HB3 H 1 3.027 0.006 . 2 . . . . 28 ASP HB# . 6988 1 263 . 1 1 28 28 ASP C C 13 173.195 0.020 . 1 . . . . 28 ASP C . 6988 1 264 . 1 1 28 28 ASP CA C 13 52.664 0.042 . 1 . . . . 28 ASP CA . 6988 1 265 . 1 1 28 28 ASP CB C 13 42.199 0.039 . 1 . . . . 28 ASP CB . 6988 1 266 . 1 1 28 28 ASP N N 15 114.845 0.025 . 1 . . . . 28 ASP N . 6988 1 267 . 1 1 29 29 ALA H H 1 8.297 0.004 . 1 . . . . 29 ALA HN . 6988 1 268 . 1 1 29 29 ALA HA H 1 3.379 0.013 . 1 . . . . 29 ALA HA . 6988 1 269 . 1 1 29 29 ALA HB1 H 1 1.183 0.007 . 2 . . . . 29 ALA HB# . 6988 1 270 . 1 1 29 29 ALA HB2 H 1 1.183 0.007 . 2 . . . . 29 ALA HB# . 6988 1 271 . 1 1 29 29 ALA HB3 H 1 1.183 0.007 . 2 . . . . 29 ALA HB# . 6988 1 272 . 1 1 29 29 ALA C C 13 177.723 0.020 . 1 . . . . 29 ALA C . 6988 1 273 . 1 1 29 29 ALA CA C 13 54.609 0.044 . 1 . . . . 29 ALA CA . 6988 1 274 . 1 1 29 29 ALA CB C 13 17.639 0.283 . 1 . . . . 29 ALA CB . 6988 1 275 . 1 1 29 29 ALA N N 15 121.307 0.040 . 1 . . . . 29 ALA N . 6988 1 276 . 1 1 30 30 ALA H H 1 8.048 0.001 . 1 . . . . 30 ALA HN . 6988 1 277 . 1 1 30 30 ALA HA H 1 3.971 0.007 . 1 . . . . 30 ALA HA . 6988 1 278 . 1 1 30 30 ALA HB1 H 1 1.298 0.005 . 2 . . . . 30 ALA HB# . 6988 1 279 . 1 1 30 30 ALA HB2 H 1 1.298 0.005 . 2 . . . . 30 ALA HB# . 6988 1 280 . 1 1 30 30 ALA HB3 H 1 1.298 0.005 . 2 . . . . 30 ALA HB# . 6988 1 281 . 1 1 30 30 ALA C C 13 179.432 0.020 . 1 . . . . 30 ALA C . 6988 1 282 . 1 1 30 30 ALA CA C 13 54.801 0.065 . 1 . . . . 30 ALA CA . 6988 1 283 . 1 1 30 30 ALA CB C 13 18.120 0.085 . 1 . . . . 30 ALA CB . 6988 1 284 . 1 1 30 30 ALA N N 15 120.394 0.068 . 1 . . . . 30 ALA N . 6988 1 285 . 1 1 31 31 THR H H 1 8.281 0.002 . 1 . . . . 31 THR HN . 6988 1 286 . 1 1 31 31 THR HA H 1 3.703 0.004 . 1 . . . . 31 THR HA . 6988 1 287 . 1 1 31 31 THR HB H 1 4.011 0.004 . 1 . . . . 31 THR HB . 6988 1 288 . 1 1 31 31 THR HG21 H 1 1.226 0.007 . 2 . . . . 31 THR HG# . 6988 1 289 . 1 1 31 31 THR HG22 H 1 1.226 0.007 . 2 . . . . 31 THR HG# . 6988 1 290 . 1 1 31 31 THR HG23 H 1 1.226 0.007 . 2 . . . . 31 THR HG# . 6988 1 291 . 1 1 31 31 THR C C 13 174.728 0.020 . 1 . . . . 31 THR C . 6988 1 292 . 1 1 31 31 THR CA C 13 66.951 0.060 . 1 . . . . 31 THR CA . 6988 1 293 . 1 1 31 31 THR CB C 13 67.936 0.093 . 1 . . . . 31 THR CB . 6988 1 294 . 1 1 31 31 THR CG2 C 13 21.076 0.125 . 1 . . . . 31 THR CG . 6988 1 295 . 1 1 31 31 THR N N 15 116.438 0.042 . 1 . . . . 31 THR N . 6988 1 296 . 1 1 32 32 ALA H H 1 7.085 0.006 . 1 . . . . 32 ALA HN . 6988 1 297 . 1 1 32 32 ALA HA H 1 3.126 0.004 . 1 . . . . 32 ALA HA . 6988 1 298 . 1 1 32 32 ALA HB1 H 1 0.542 0.009 . 2 . . . . 32 ALA HB# . 6988 1 299 . 1 1 32 32 ALA HB2 H 1 0.542 0.009 . 2 . . . . 32 ALA HB# . 6988 1 300 . 1 1 32 32 ALA HB3 H 1 0.542 0.009 . 2 . . . . 32 ALA HB# . 6988 1 301 . 1 1 32 32 ALA C C 13 175.707 0.020 . 1 . . . . 32 ALA C . 6988 1 302 . 1 1 32 32 ALA CA C 13 54.881 0.065 . 1 . . . . 32 ALA CA . 6988 1 303 . 1 1 32 32 ALA CB C 13 17.702 0.208 . 1 . . . . 32 ALA CB . 6988 1 304 . 1 1 32 32 ALA N N 15 123.798 0.015 . 1 . . . . 32 ALA N . 6988 1 305 . 1 1 33 33 GLU H H 1 8.398 0.004 . 1 . . . . 33 GLU HN . 6988 1 306 . 1 1 33 33 GLU HA H 1 3.969 0.001 . 1 . . . . 33 GLU HA . 6988 1 307 . 1 1 33 33 GLU HB2 H 1 1.838 0.002 . 2 . . . . 33 GLU HB1 . 6988 1 308 . 1 1 33 33 GLU HB3 H 1 1.963 0.001 . 2 . . . . 33 GLU HB2 . 6988 1 309 . 1 1 33 33 GLU HG2 H 1 2.640 0.001 . 2 . . . . 33 GLU HG# . 6988 1 310 . 1 1 33 33 GLU HG3 H 1 2.640 0.001 . 2 . . . . 33 GLU HG# . 6988 1 311 . 1 1 33 33 GLU C C 13 175.885 0.020 . 1 . . . . 33 GLU C . 6988 1 312 . 1 1 33 33 GLU CA C 13 59.763 0.020 . 1 . . . . 33 GLU CA . 6988 1 313 . 1 1 33 33 GLU CB C 13 29.379 0.028 . 1 . . . . 33 GLU CB . 6988 1 314 . 1 1 33 33 GLU N N 15 116.854 0.040 . 1 . . . . 33 GLU N . 6988 1 315 . 1 1 34 34 LYS H H 1 6.952 0.003 . 1 . . . . 34 LYS HN . 6988 1 316 . 1 1 34 34 LYS HA H 1 3.731 0.004 . 1 . . . . 34 LYS HA . 6988 1 317 . 1 1 34 34 LYS HB2 H 1 1.834 0.007 . 2 . . . . 34 LYS HB# . 6988 1 318 . 1 1 34 34 LYS HB3 H 1 1.834 0.007 . 2 . . . . 34 LYS HB# . 6988 1 319 . 1 1 34 34 LYS HG2 H 1 1.334 0.005 . 2 . . . . 34 LYS HG1 . 6988 1 320 . 1 1 34 34 LYS HG3 H 1 1.550 0.007 . 2 . . . . 34 LYS HG2 . 6988 1 321 . 1 1 34 34 LYS HD2 H 1 1.619 0.003 . 2 . . . . 34 LYS HD# . 6988 1 322 . 1 1 34 34 LYS HD3 H 1 1.619 0.003 . 2 . . . . 34 LYS HD# . 6988 1 323 . 1 1 34 34 LYS HE2 H 1 2.892 0.006 . 2 . . . . 34 LYS HE# . 6988 1 324 . 1 1 34 34 LYS HE3 H 1 2.892 0.006 . 2 . . . . 34 LYS HE# . 6988 1 325 . 1 1 34 34 LYS C C 13 178.554 0.020 . 1 . . . . 34 LYS C . 6988 1 326 . 1 1 34 34 LYS CA C 13 59.766 0.051 . 1 . . . . 34 LYS CA . 6988 1 327 . 1 1 34 34 LYS CB C 13 32.439 0.086 . 1 . . . . 34 LYS CB . 6988 1 328 . 1 1 34 34 LYS CG C 13 25.191 0.090 . 1 . . . . 34 LYS CG . 6988 1 329 . 1 1 34 34 LYS CD C 13 29.223 0.014 . 1 . . . . 34 LYS CD . 6988 1 330 . 1 1 34 34 LYS CE C 13 41.940 0.029 . 1 . . . . 34 LYS CE . 6988 1 331 . 1 1 34 34 LYS N N 15 116.527 0.018 . 1 . . . . 34 LYS N . 6988 1 332 . 1 1 35 35 VAL H H 1 7.251 0.003 . 1 . . . . 35 VAL HN . 6988 1 333 . 1 1 35 35 VAL HA H 1 3.627 0.003 . 1 . . . . 35 VAL HA . 6988 1 334 . 1 1 35 35 VAL HB H 1 1.783 0.003 . 1 . . . . 35 VAL HB . 6988 1 335 . 1 1 35 35 VAL HG11 H 1 0.914 0.004 . 2 . . . . 35 VAL HG1# . 6988 1 336 . 1 1 35 35 VAL HG12 H 1 0.914 0.004 . 2 . . . . 35 VAL HG1# . 6988 1 337 . 1 1 35 35 VAL HG13 H 1 0.914 0.004 . 2 . . . . 35 VAL HG1# . 6988 1 338 . 1 1 35 35 VAL HG21 H 1 0.806 0.008 . 2 . . . . 35 VAL HG2# . 6988 1 339 . 1 1 35 35 VAL HG22 H 1 0.806 0.008 . 2 . . . . 35 VAL HG2# . 6988 1 340 . 1 1 35 35 VAL HG23 H 1 0.806 0.008 . 2 . . . . 35 VAL HG2# . 6988 1 341 . 1 1 35 35 VAL C C 13 178.351 0.020 . 1 . . . . 35 VAL C . 6988 1 342 . 1 1 35 35 VAL CA C 13 66.065 0.020 . 1 . . . . 35 VAL CA . 6988 1 343 . 1 1 35 35 VAL CB C 13 31.828 0.066 . 1 . . . . 35 VAL CB . 6988 1 344 . 1 1 35 35 VAL CG1 C 13 21.813 0.068 . 2 . . . . 35 VAL CG1 . 6988 1 345 . 1 1 35 35 VAL CG2 C 13 20.482 0.072 . 2 . . . . 35 VAL CG2 . 6988 1 346 . 1 1 35 35 VAL N N 15 120.648 0.033 . 1 . . . . 35 VAL N . 6988 1 347 . 1 1 36 36 PHE H H 1 8.436 0.002 . 1 . . . . 36 PHE HN . 6988 1 348 . 1 1 36 36 PHE HA H 1 4.792 0.008 . 1 . . . . 36 PHE HA . 6988 1 349 . 1 1 36 36 PHE HB2 H 1 2.879 0.009 . 2 . . . . 36 PHE HB1 . 6988 1 350 . 1 1 36 36 PHE HB3 H 1 3.369 0.006 . 2 . . . . 36 PHE HB2 . 6988 1 351 . 1 1 36 36 PHE C C 13 176.918 0.020 . 1 . . . . 36 PHE C . 6988 1 352 . 1 1 36 36 PHE CA C 13 56.662 0.056 . 1 . . . . 36 PHE CA . 6988 1 353 . 1 1 36 36 PHE CB C 13 37.570 0.056 . 1 . . . . 36 PHE CB . 6988 1 354 . 1 1 36 36 PHE N N 15 120.666 0.056 . 1 . . . . 36 PHE N . 6988 1 355 . 1 1 37 37 LYS H H 1 9.178 0.004 . 1 . . . . 37 LYS HN . 6988 1 356 . 1 1 37 37 LYS HA H 1 4.158 0.006 . 1 . . . . 37 LYS HA . 6988 1 357 . 1 1 37 37 LYS HB2 H 1 1.562 0.007 . 2 . . . . 37 LYS HB1 . 6988 1 358 . 1 1 37 37 LYS HB3 H 1 1.691 0.043 . 2 . . . . 37 LYS HB2 . 6988 1 359 . 1 1 37 37 LYS HG2 H 1 0.523 0.005 . 2 . . . . 37 LYS HG1 . 6988 1 360 . 1 1 37 37 LYS HG3 H 1 0.875 0.010 . 2 . . . . 37 LYS HG2 . 6988 1 361 . 1 1 37 37 LYS HD2 H 1 1.029 0.004 . 2 . . . . 37 LYS HD1 . 6988 1 362 . 1 1 37 37 LYS HD3 H 1 1.113 0.004 . 2 . . . . 37 LYS HD2 . 6988 1 363 . 1 1 37 37 LYS HE2 H 1 1.604 0.007 . 2 . . . . 37 LYS HE1 . 6988 1 364 . 1 1 37 37 LYS HE3 H 1 1.893 0.005 . 2 . . . . 37 LYS HE2 . 6988 1 365 . 1 1 37 37 LYS C C 13 177.947 0.020 . 1 . . . . 37 LYS C . 6988 1 366 . 1 1 37 37 LYS CA C 13 59.774 0.054 . 1 . . . . 37 LYS CA . 6988 1 367 . 1 1 37 37 LYS CB C 13 31.714 0.076 . 1 . . . . 37 LYS CB . 6988 1 368 . 1 1 37 37 LYS CG C 13 25.834 0.037 . 1 . . . . 37 LYS CG . 6988 1 369 . 1 1 37 37 LYS CD C 13 28.798 0.036 . 1 . . . . 37 LYS CD . 6988 1 370 . 1 1 37 37 LYS CE C 13 41.228 0.052 . 1 . . . . 37 LYS CE . 6988 1 371 . 1 1 37 37 LYS N N 15 122.993 0.047 . 1 . . . . 37 LYS N . 6988 1 372 . 1 1 38 38 GLN H H 1 7.439 0.004 . 1 . . . . 38 GLN HN . 6988 1 373 . 1 1 38 38 GLN HA H 1 4.058 0.008 . 1 . . . . 38 GLN HA . 6988 1 374 . 1 1 38 38 GLN HB2 H 1 2.228 0.002 . 2 . . . . 38 GLN HB1 . 6988 1 375 . 1 1 38 38 GLN HB3 H 1 2.241 0.002 . 2 . . . . 38 GLN HB2 . 6988 1 376 . 1 1 38 38 GLN HG2 H 1 2.441 0.007 . 2 . . . . 38 GLN HG# . 6988 1 377 . 1 1 38 38 GLN HG3 H 1 2.441 0.007 . 2 . . . . 38 GLN HG# . 6988 1 378 . 1 1 38 38 GLN C C 13 175.644 0.020 . 1 . . . . 38 GLN C . 6988 1 379 . 1 1 38 38 GLN CA C 13 58.808 0.005 . 1 . . . . 38 GLN CA . 6988 1 380 . 1 1 38 38 GLN CB C 13 28.224 0.033 . 1 . . . . 38 GLN CB . 6988 1 381 . 1 1 38 38 GLN CG C 13 33.464 0.020 . 1 . . . . 38 GLN CG . 6988 1 382 . 1 1 38 38 GLN N N 15 119.766 0.086 . 1 . . . . 38 GLN N . 6988 1 383 . 1 1 39 39 TYR H H 1 8.192 0.005 . 1 . . . . 39 TYR HN . 6988 1 384 . 1 1 39 39 TYR HA H 1 4.277 0.003 . 1 . . . . 39 TYR HA . 6988 1 385 . 1 1 39 39 TYR HB2 H 1 3.321 0.009 . 2 . . . . 39 TYR HB# . 6988 1 386 . 1 1 39 39 TYR HB3 H 1 3.321 0.009 . 2 . . . . 39 TYR HB# . 6988 1 387 . 1 1 39 39 TYR C C 13 177.502 0.020 . 1 . . . . 39 TYR C . 6988 1 388 . 1 1 39 39 TYR CA C 13 61.899 0.036 . 1 . . . . 39 TYR CA . 6988 1 389 . 1 1 39 39 TYR CB C 13 38.617 0.059 . 1 . . . . 39 TYR CB . 6988 1 390 . 1 1 39 39 TYR N N 15 120.971 0.036 . 1 . . . . 39 TYR N . 6988 1 391 . 1 1 40 40 ALA H H 1 9.194 0.004 . 1 . . . . 40 ALA HN . 6988 1 392 . 1 1 40 40 ALA HA H 1 3.816 0.010 . 1 . . . . 40 ALA HA . 6988 1 393 . 1 1 40 40 ALA HB1 H 1 1.846 0.012 . 2 . . . . 40 ALA HB# . 6988 1 394 . 1 1 40 40 ALA HB2 H 1 1.846 0.012 . 2 . . . . 40 ALA HB# . 6988 1 395 . 1 1 40 40 ALA HB3 H 1 1.846 0.012 . 2 . . . . 40 ALA HB# . 6988 1 396 . 1 1 40 40 ALA C C 13 177.843 0.020 . 1 . . . . 40 ALA C . 6988 1 397 . 1 1 40 40 ALA CA C 13 56.305 0.045 . 1 . . . . 40 ALA CA . 6988 1 398 . 1 1 40 40 ALA CB C 13 17.993 0.042 . 1 . . . . 40 ALA CB . 6988 1 399 . 1 1 40 40 ALA N N 15 122.786 0.045 . 1 . . . . 40 ALA N . 6988 1 400 . 1 1 41 41 ASN H H 1 8.264 0.006 . 1 . . . . 41 ASN HN . 6988 1 401 . 1 1 41 41 ASN HA H 1 4.456 0.007 . 1 . . . . 41 ASN HA . 6988 1 402 . 1 1 41 41 ASN HB2 H 1 2.933 0.007 . 2 . . . . 41 ASN HB# . 6988 1 403 . 1 1 41 41 ASN HB3 H 1 2.933 0.007 . 2 . . . . 41 ASN HB# . 6988 1 404 . 1 1 41 41 ASN C C 13 177.786 0.020 . 1 . . . . 41 ASN C . 6988 1 405 . 1 1 41 41 ASN CA C 13 56.935 0.042 . 1 . . . . 41 ASN CA . 6988 1 406 . 1 1 41 41 ASN CB C 13 38.898 0.052 . 1 . . . . 41 ASN CB . 6988 1 407 . 1 1 41 41 ASN N N 15 117.679 0.045 . 1 . . . . 41 ASN N . 6988 1 408 . 1 1 42 42 ASP H H 1 8.874 0.004 . 1 . . . . 42 ASP HN . 6988 1 409 . 1 1 42 42 ASP HA H 1 4.369 0.004 . 1 . . . . 42 ASP HA . 6988 1 410 . 1 1 42 42 ASP HB2 H 1 2.569 0.009 . 2 . . . . 42 ASP HB1 . 6988 1 411 . 1 1 42 42 ASP HB3 H 1 2.720 0.010 . 2 . . . . 42 ASP HB2 . 6988 1 412 . 1 1 42 42 ASP C C 13 175.679 0.020 . 1 . . . . 42 ASP C . 6988 1 413 . 1 1 42 42 ASP CA C 13 57.001 0.046 . 1 . . . . 42 ASP CA . 6988 1 414 . 1 1 42 42 ASP CB C 13 40.096 0.015 . 1 . . . . 42 ASP CB . 6988 1 415 . 1 1 42 42 ASP N N 15 121.319 0.036 . 1 . . . . 42 ASP N . 6988 1 416 . 1 1 43 43 ASN H H 1 7.396 0.003 . 1 . . . . 43 ASN HN . 6988 1 417 . 1 1 43 43 ASN HA H 1 4.622 0.004 . 1 . . . . 43 ASN HA . 6988 1 418 . 1 1 43 43 ASN HB2 H 1 2.082 0.011 . 2 . . . . 43 ASN HB1 . 6988 1 419 . 1 1 43 43 ASN HB3 H 1 2.666 0.006 . 2 . . . . 43 ASN HB2 . 6988 1 420 . 1 1 43 43 ASN HD21 H 1 6.634 0.004 . 2 . . . . 43 ASN HD21 . 6988 1 421 . 1 1 43 43 ASN HD22 H 1 6.363 0.005 . 2 . . . . 43 ASN HD22 . 6988 1 422 . 1 1 43 43 ASN C C 13 172.556 0.020 . 1 . . . . 43 ASN C . 6988 1 423 . 1 1 43 43 ASN CA C 13 53.797 0.046 . 1 . . . . 43 ASN CA . 6988 1 424 . 1 1 43 43 ASN CB C 13 40.137 0.068 . 1 . . . . 43 ASN CB . 6988 1 425 . 1 1 43 43 ASN N N 15 115.235 0.021 . 1 . . . . 43 ASN N . 6988 1 426 . 1 1 43 43 ASN ND2 N 15 115.238 0.005 . 1 . . . . 43 ASN ND2 . 6988 1 427 . 1 1 44 44 GLY H H 1 7.764 0.004 . 1 . . . . 44 GLY HN . 6988 1 428 . 1 1 44 44 GLY HA2 H 1 3.895 0.006 . 2 . . . . 44 GLY HA# . 6988 1 429 . 1 1 44 44 GLY HA3 H 1 3.895 0.006 . 2 . . . . 44 GLY HA# . 6988 1 430 . 1 1 44 44 GLY C C 13 172.807 0.020 . 1 . . . . 44 GLY C . 6988 1 431 . 1 1 44 44 GLY CA C 13 47.017 0.020 . 1 . . . . 44 GLY CA . 6988 1 432 . 1 1 44 44 GLY N N 15 108.513 0.033 . 1 . . . . 44 GLY N . 6988 1 433 . 1 1 45 45 VAL H H 1 8.133 0.001 . 1 . . . . 45 VAL HN . 6988 1 434 . 1 1 45 45 VAL HA H 1 4.134 0.007 . 1 . . . . 45 VAL HA . 6988 1 435 . 1 1 45 45 VAL HB H 1 1.778 0.006 . 1 . . . . 45 VAL HB . 6988 1 436 . 1 1 45 45 VAL HG11 H 1 0.821 0.003 . 2 . . . . 45 VAL HG1# . 6988 1 437 . 1 1 45 45 VAL HG12 H 1 0.821 0.003 . 2 . . . . 45 VAL HG1# . 6988 1 438 . 1 1 45 45 VAL HG13 H 1 0.821 0.003 . 2 . . . . 45 VAL HG1# . 6988 1 439 . 1 1 45 45 VAL HG21 H 1 0.666 0.006 . 2 . . . . 45 VAL HG2# . 6988 1 440 . 1 1 45 45 VAL HG22 H 1 0.666 0.006 . 2 . . . . 45 VAL HG2# . 6988 1 441 . 1 1 45 45 VAL HG23 H 1 0.666 0.006 . 2 . . . . 45 VAL HG2# . 6988 1 442 . 1 1 45 45 VAL C C 13 172.386 0.020 . 1 . . . . 45 VAL C . 6988 1 443 . 1 1 45 45 VAL CA C 13 62.038 0.092 . 1 . . . . 45 VAL CA . 6988 1 444 . 1 1 45 45 VAL CB C 13 33.275 0.088 . 1 . . . . 45 VAL CB . 6988 1 445 . 1 1 45 45 VAL CG1 C 13 21.623 0.078 . 2 . . . . 45 VAL CG1 . 6988 1 446 . 1 1 45 45 VAL CG2 C 13 21.463 0.076 . 2 . . . . 45 VAL CG2 . 6988 1 447 . 1 1 45 45 VAL N N 15 120.662 0.032 . 1 . . . . 45 VAL N . 6988 1 448 . 1 1 46 46 ASP H H 1 8.477 0.004 . 1 . . . . 46 ASP HN . 6988 1 449 . 1 1 46 46 ASP HA H 1 4.906 0.005 . 1 . . . . 46 ASP HA . 6988 1 450 . 1 1 46 46 ASP HB2 H 1 2.606 0.022 . 2 . . . . 46 ASP HB1 . 6988 1 451 . 1 1 46 46 ASP HB3 H 1 2.708 0.003 . 2 . . . . 46 ASP HB2 . 6988 1 452 . 1 1 46 46 ASP C C 13 173.123 0.020 . 1 . . . . 46 ASP C . 6988 1 453 . 1 1 46 46 ASP CA C 13 52.562 0.032 . 1 . . . . 46 ASP CA . 6988 1 454 . 1 1 46 46 ASP CB C 13 43.389 0.075 . 1 . . . . 46 ASP CB . 6988 1 455 . 1 1 46 46 ASP N N 15 127.566 0.041 . 1 . . . . 46 ASP N . 6988 1 456 . 1 1 47 47 GLY H H 1 7.997 0.004 . 1 . . . . 47 GLY HN . 6988 1 457 . 1 1 47 47 GLY HA2 H 1 3.807 0.005 . 2 . . . . 47 GLY HA1 . 6988 1 458 . 1 1 47 47 GLY HA3 H 1 4.176 0.006 . 2 . . . . 47 GLY HA2 . 6988 1 459 . 1 1 47 47 GLY C C 13 170.366 0.020 . 1 . . . . 47 GLY C . 6988 1 460 . 1 1 47 47 GLY CA C 13 45.468 0.028 . 1 . . . . 47 GLY CA . 6988 1 461 . 1 1 47 47 GLY N N 15 107.657 0.031 . 1 . . . . 47 GLY N . 6988 1 462 . 1 1 48 48 GLU H H 1 8.054 0.007 . 1 . . . . 48 GLU HN . 6988 1 463 . 1 1 48 48 GLU HA H 1 4.698 0.006 . 1 . . . . 48 GLU HA . 6988 1 464 . 1 1 48 48 GLU HB2 H 1 1.940 0.004 . 2 . . . . 48 GLU HB1 . 6988 1 465 . 1 1 48 48 GLU HB3 H 1 2.044 0.006 . 2 . . . . 48 GLU HB2 . 6988 1 466 . 1 1 48 48 GLU HG2 H 1 2.229 0.001 . 2 . . . . 48 GLU HG1 . 6988 1 467 . 1 1 48 48 GLU HG3 H 1 2.328 0.006 . 2 . . . . 48 GLU HG2 . 6988 1 468 . 1 1 48 48 GLU C C 13 175.386 0.020 . 1 . . . . 48 GLU C . 6988 1 469 . 1 1 48 48 GLU CA C 13 55.647 0.094 . 1 . . . . 48 GLU CA . 6988 1 470 . 1 1 48 48 GLU CB C 13 31.660 0.067 . 1 . . . . 48 GLU CB . 6988 1 471 . 1 1 48 48 GLU CG C 13 36.504 0.063 . 1 . . . . 48 GLU CG . 6988 1 472 . 1 1 48 48 GLU N N 15 120.550 0.042 . 1 . . . . 48 GLU N . 6988 1 473 . 1 1 49 49 TRP H H 1 9.322 0.002 . 1 . . . . 49 TRP HN . 6988 1 474 . 1 1 49 49 TRP HA H 1 5.344 0.007 . 1 . . . . 49 TRP HA . 6988 1 475 . 1 1 49 49 TRP HB2 H 1 3.162 0.006 . 2 . . . . 49 TRP HB1 . 6988 1 476 . 1 1 49 49 TRP HB3 H 1 3.350 0.009 . 2 . . . . 49 TRP HB2 . 6988 1 477 . 1 1 49 49 TRP HE1 H 1 10.494 0.001 . 1 . . . . 49 TRP HE1 . 6988 1 478 . 1 1 49 49 TRP C C 13 175.601 0.020 . 1 . . . . 49 TRP C . 6988 1 479 . 1 1 49 49 TRP CA C 13 57.893 0.070 . 1 . . . . 49 TRP CA . 6988 1 480 . 1 1 49 49 TRP CB C 13 30.403 0.023 . 1 . . . . 49 TRP CB . 6988 1 481 . 1 1 49 49 TRP N N 15 128.086 0.034 . 1 . . . . 49 TRP N . 6988 1 482 . 1 1 49 49 TRP NE1 N 15 130.679 0.010 . 1 . . . . 49 TRP NE1 . 6988 1 483 . 1 1 50 50 THR H H 1 9.213 0.004 . 1 . . . . 50 THR HN . 6988 1 484 . 1 1 50 50 THR HA H 1 4.818 0.007 . 1 . . . . 50 THR HA . 6988 1 485 . 1 1 50 50 THR HB H 1 4.225 0.004 . 1 . . . . 50 THR HB . 6988 1 486 . 1 1 50 50 THR HG21 H 1 1.198 0.007 . 2 . . . . 50 THR HG# . 6988 1 487 . 1 1 50 50 THR HG22 H 1 1.198 0.007 . 2 . . . . 50 THR HG# . 6988 1 488 . 1 1 50 50 THR HG23 H 1 1.198 0.007 . 2 . . . . 50 THR HG# . 6988 1 489 . 1 1 50 50 THR C C 13 171.184 0.020 . 1 . . . . 50 THR C . 6988 1 490 . 1 1 50 50 THR CA C 13 60.673 0.102 . 1 . . . . 50 THR CA . 6988 1 491 . 1 1 50 50 THR CB C 13 72.280 0.030 . 1 . . . . 50 THR CB . 6988 1 492 . 1 1 50 50 THR CG2 C 13 23.431 1.220 . 1 . . . . 50 THR CG . 6988 1 493 . 1 1 50 50 THR N N 15 114.959 0.032 . 1 . . . . 50 THR N . 6988 1 494 . 1 1 51 51 TYR H H 1 8.600 0.002 . 1 . . . . 51 TYR HN . 6988 1 495 . 1 1 51 51 TYR HA H 1 5.001 0.007 . 1 . . . . 51 TYR HA . 6988 1 496 . 1 1 51 51 TYR HB2 H 1 2.519 0.008 . 2 . . . . 51 TYR HB1 . 6988 1 497 . 1 1 51 51 TYR HB3 H 1 2.873 0.008 . 2 . . . . 51 TYR HB2 . 6988 1 498 . 1 1 51 51 TYR C C 13 171.805 0.020 . 1 . . . . 51 TYR C . 6988 1 499 . 1 1 51 51 TYR CA C 13 56.959 0.041 . 1 . . . . 51 TYR CA . 6988 1 500 . 1 1 51 51 TYR CB C 13 41.561 0.067 . 1 . . . . 51 TYR CB . 6988 1 501 . 1 1 51 51 TYR N N 15 121.151 0.035 . 1 . . . . 51 TYR N . 6988 1 502 . 1 1 52 52 ASP H H 1 7.515 0.009 . 1 . . . . 52 ASP HN . 6988 1 503 . 1 1 52 52 ASP HA H 1 4.592 0.005 . 1 . . . . 52 ASP HA . 6988 1 504 . 1 1 52 52 ASP HB2 H 1 2.268 0.006 . 2 . . . . 52 ASP HB1 . 6988 1 505 . 1 1 52 52 ASP HB3 H 1 2.580 0.009 . 2 . . . . 52 ASP HB2 . 6988 1 506 . 1 1 52 52 ASP C C 13 173.100 0.020 . 1 . . . . 52 ASP C . 6988 1 507 . 1 1 52 52 ASP CA C 13 51.882 0.061 . 1 . . . . 52 ASP CA . 6988 1 508 . 1 1 52 52 ASP CB C 13 43.193 0.082 . 1 . . . . 52 ASP CB . 6988 1 509 . 1 1 52 52 ASP N N 15 128.352 0.036 . 1 . . . . 52 ASP N . 6988 1 510 . 1 1 53 53 ASP H H 1 8.541 0.006 . 1 . . . . 53 ASP HN . 6988 1 511 . 1 1 53 53 ASP HA H 1 4.089 0.007 . 1 . . . . 53 ASP HA . 6988 1 512 . 1 1 53 53 ASP HB2 H 1 2.531 0.005 . 2 . . . . 53 ASP HB1 . 6988 1 513 . 1 1 53 53 ASP HB3 H 1 2.792 0.007 . 2 . . . . 53 ASP HB2 . 6988 1 514 . 1 1 53 53 ASP C C 13 176.573 0.020 . 1 . . . . 53 ASP C . 6988 1 515 . 1 1 53 53 ASP CA C 13 56.320 0.052 . 1 . . . . 53 ASP CA . 6988 1 516 . 1 1 53 53 ASP CB C 13 42.010 0.028 . 1 . . . . 53 ASP CB . 6988 1 517 . 1 1 53 53 ASP N N 15 124.900 0.065 . 1 . . . . 53 ASP N . 6988 1 518 . 1 1 54 54 ALA H H 1 8.302 0.005 . 1 . . . . 54 ALA HN . 6988 1 519 . 1 1 54 54 ALA HA H 1 4.095 0.004 . 1 . . . . 54 ALA HA . 6988 1 520 . 1 1 54 54 ALA HB1 H 1 1.493 0.006 . 2 . . . . 54 ALA HB# . 6988 1 521 . 1 1 54 54 ALA HB2 H 1 1.493 0.006 . 2 . . . . 54 ALA HB# . 6988 1 522 . 1 1 54 54 ALA HB3 H 1 1.493 0.006 . 2 . . . . 54 ALA HB# . 6988 1 523 . 1 1 54 54 ALA C C 13 178.314 0.020 . 1 . . . . 54 ALA C . 6988 1 524 . 1 1 54 54 ALA CA C 13 55.221 0.067 . 1 . . . . 54 ALA CA . 6988 1 525 . 1 1 54 54 ALA CB C 13 18.315 0.173 . 1 . . . . 54 ALA CB . 6988 1 526 . 1 1 54 54 ALA N N 15 120.183 0.057 . 1 . . . . 54 ALA N . 6988 1 527 . 1 1 55 55 THR H H 1 6.996 0.002 . 1 . . . . 55 THR HN . 6988 1 528 . 1 1 55 55 THR HA H 1 4.376 0.006 . 1 . . . . 55 THR HA . 6988 1 529 . 1 1 55 55 THR HB H 1 4.389 0.001 . 1 . . . . 55 THR HB . 6988 1 530 . 1 1 55 55 THR HG21 H 1 1.073 0.005 . 2 . . . . 55 THR HG# . 6988 1 531 . 1 1 55 55 THR HG22 H 1 1.073 0.005 . 2 . . . . 55 THR HG# . 6988 1 532 . 1 1 55 55 THR HG23 H 1 1.073 0.005 . 2 . . . . 55 THR HG# . 6988 1 533 . 1 1 55 55 THR C C 13 173.694 0.020 . 1 . . . . 55 THR C . 6988 1 534 . 1 1 55 55 THR CA C 13 60.519 0.068 . 1 . . . . 55 THR CA . 6988 1 535 . 1 1 55 55 THR CB C 13 70.307 0.064 . 1 . . . . 55 THR CB . 6988 1 536 . 1 1 55 55 THR CG2 C 13 21.108 0.144 . 1 . . . . 55 THR CG . 6988 1 537 . 1 1 55 55 THR N N 15 103.467 0.030 . 1 . . . . 55 THR N . 6988 1 538 . 1 1 56 56 LYS H H 1 7.836 0.004 . 1 . . . . 56 LYS HN . 6988 1 539 . 1 1 56 56 LYS HA H 1 4.117 0.006 . 1 . . . . 56 LYS HA . 6988 1 540 . 1 1 56 56 LYS HB2 H 1 1.968 0.007 . 2 . . . . 56 LYS HB# . 6988 1 541 . 1 1 56 56 LYS HB3 H 1 1.968 0.007 . 2 . . . . 56 LYS HB# . 6988 1 542 . 1 1 56 56 LYS HG2 H 1 1.230 0.004 . 2 . . . . 56 LYS HG# . 6988 1 543 . 1 1 56 56 LYS HG3 H 1 1.230 0.004 . 2 . . . . 56 LYS HG# . 6988 1 544 . 1 1 56 56 LYS HD2 H 1 1.490 0.002 . 2 . . . . 56 LYS HD# . 6988 1 545 . 1 1 56 56 LYS HD3 H 1 1.490 0.002 . 2 . . . . 56 LYS HD# . 6988 1 546 . 1 1 56 56 LYS HE2 H 1 2.638 0.002 . 2 . . . . 56 LYS HE# . 6988 1 547 . 1 1 56 56 LYS HE3 H 1 2.638 0.002 . 2 . . . . 56 LYS HE# . 6988 1 548 . 1 1 56 56 LYS C C 13 173.350 0.020 . 1 . . . . 56 LYS C . 6988 1 549 . 1 1 56 56 LYS CA C 13 57.348 0.020 . 1 . . . . 56 LYS CA . 6988 1 550 . 1 1 56 56 LYS CB C 13 30.226 0.044 . 1 . . . . 56 LYS CB . 6988 1 551 . 1 1 56 56 LYS CG C 13 28.691 0.013 . 1 . . . . 56 LYS CG . 6988 1 552 . 1 1 56 56 LYS N N 15 123.445 0.029 . 1 . . . . 56 LYS N . 6988 1 553 . 1 1 57 57 THR H H 1 7.325 0.002 . 1 . . . . 57 THR HN . 6988 1 554 . 1 1 57 57 THR HA H 1 5.493 0.007 . 1 . . . . 57 THR HA . 6988 1 555 . 1 1 57 57 THR HB H 1 3.750 0.004 . 1 . . . . 57 THR HB . 6988 1 556 . 1 1 57 57 THR HG21 H 1 0.957 0.010 . 2 . . . . 57 THR HG# . 6988 1 557 . 1 1 57 57 THR HG22 H 1 0.957 0.010 . 2 . . . . 57 THR HG# . 6988 1 558 . 1 1 57 57 THR HG23 H 1 0.957 0.010 . 2 . . . . 57 THR HG# . 6988 1 559 . 1 1 57 57 THR C C 13 173.546 0.020 . 1 . . . . 57 THR C . 6988 1 560 . 1 1 57 57 THR CA C 13 62.226 0.072 . 1 . . . . 57 THR CA . 6988 1 561 . 1 1 57 57 THR CB C 13 72.007 0.040 . 1 . . . . 57 THR CB . 6988 1 562 . 1 1 57 57 THR CG2 C 13 20.171 0.117 . 1 . . . . 57 THR CG . 6988 1 563 . 1 1 57 57 THR N N 15 110.921 0.024 . 1 . . . . 57 THR N . 6988 1 564 . 1 1 58 58 PHE H H 1 10.293 0.002 . 1 . . . . 58 PHE HN . 6988 1 565 . 1 1 58 58 PHE HA H 1 5.639 0.006 . 1 . . . . 58 PHE HA . 6988 1 566 . 1 1 58 58 PHE HB2 H 1 3.190 0.005 . 2 . . . . 58 PHE HB1 . 6988 1 567 . 1 1 58 58 PHE HB3 H 1 3.281 0.002 . 2 . . . . 58 PHE HB2 . 6988 1 568 . 1 1 58 58 PHE C C 13 172.854 0.020 . 1 . . . . 58 PHE C . 6988 1 569 . 1 1 58 58 PHE CA C 13 57.354 0.054 . 1 . . . . 58 PHE CA . 6988 1 570 . 1 1 58 58 PHE CB C 13 42.391 0.048 . 1 . . . . 58 PHE CB . 6988 1 571 . 1 1 58 58 PHE N N 15 130.982 0.027 . 1 . . . . 58 PHE N . 6988 1 572 . 1 1 59 59 THR H H 1 9.164 0.002 . 1 . . . . 59 THR HN . 6988 1 573 . 1 1 59 59 THR HA H 1 5.204 0.007 . 1 . . . . 59 THR HA . 6988 1 574 . 1 1 59 59 THR HB H 1 3.830 0.005 . 1 . . . . 59 THR HB . 6988 1 575 . 1 1 59 59 THR HG21 H 1 0.988 0.011 . 2 . . . . 59 THR HG# . 6988 1 576 . 1 1 59 59 THR HG22 H 1 0.988 0.011 . 2 . . . . 59 THR HG# . 6988 1 577 . 1 1 59 59 THR HG23 H 1 0.988 0.011 . 2 . . . . 59 THR HG# . 6988 1 578 . 1 1 59 59 THR C C 13 171.390 0.020 . 1 . . . . 59 THR C . 6988 1 579 . 1 1 59 59 THR CA C 13 61.627 0.101 . 1 . . . . 59 THR CA . 6988 1 580 . 1 1 59 59 THR CB C 13 70.776 0.006 . 1 . . . . 59 THR CB . 6988 1 581 . 1 1 59 59 THR CG2 C 13 25.781 9.674 . 1 . . . . 59 THR CG . 6988 1 582 . 1 1 59 59 THR N N 15 118.274 0.017 . 1 . . . . 59 THR N . 6988 1 583 . 1 1 60 60 VAL H H 1 8.071 0.002 . 1 . . . . 60 VAL HN . 6988 1 584 . 1 1 60 60 VAL HA H 1 4.492 0.007 . 1 . . . . 60 VAL HA . 6988 1 585 . 1 1 60 60 VAL HB H 1 0.096 0.007 . 1 . . . . 60 VAL HB . 6988 1 586 . 1 1 60 60 VAL HG11 H 1 0.297 0.012 . 2 . . . . 60 VAL HG1# . 6988 1 587 . 1 1 60 60 VAL HG12 H 1 0.297 0.012 . 2 . . . . 60 VAL HG1# . 6988 1 588 . 1 1 60 60 VAL HG13 H 1 0.297 0.012 . 2 . . . . 60 VAL HG1# . 6988 1 589 . 1 1 60 60 VAL HG21 H 1 -0.472 0.014 . 2 . . . . 60 VAL HG2# . 6988 1 590 . 1 1 60 60 VAL HG22 H 1 -0.472 0.014 . 2 . . . . 60 VAL HG2# . 6988 1 591 . 1 1 60 60 VAL HG23 H 1 -0.472 0.014 . 2 . . . . 60 VAL HG2# . 6988 1 592 . 1 1 60 60 VAL C C 13 172.394 0.020 . 1 . . . . 60 VAL C . 6988 1 593 . 1 1 60 60 VAL CA C 13 58.490 0.062 . 1 . . . . 60 VAL CA . 6988 1 594 . 1 1 60 60 VAL CB C 13 32.646 0.073 . 1 . . . . 60 VAL CB . 6988 1 595 . 1 1 60 60 VAL CG1 C 13 19.981 0.069 . 2 . . . . 60 VAL CG1 . 6988 1 596 . 1 1 60 60 VAL CG2 C 13 20.438 0.087 . 2 . . . . 60 VAL CG2 . 6988 1 597 . 1 1 60 60 VAL N N 15 123.858 0.041 . 1 . . . . 60 VAL N . 6988 1 598 . 1 1 61 61 THR H H 1 8.383 0.003 . 1 . . . . 61 THR HN . 6988 1 599 . 1 1 61 61 THR HA H 1 4.699 0.007 . 1 . . . . 61 THR HA . 6988 1 600 . 1 1 61 61 THR HB H 1 3.882 0.006 . 1 . . . . 61 THR HB . 6988 1 601 . 1 1 61 61 THR HG21 H 1 1.153 0.008 . 2 . . . . 61 THR HG# . 6988 1 602 . 1 1 61 61 THR HG22 H 1 1.153 0.008 . 2 . . . . 61 THR HG# . 6988 1 603 . 1 1 61 61 THR HG23 H 1 1.153 0.008 . 2 . . . . 61 THR HG# . 6988 1 604 . 1 1 61 61 THR C C 13 172.998 0.020 . 1 . . . . 61 THR C . 6988 1 605 . 1 1 61 61 THR CA C 13 60.905 0.093 . 1 . . . . 61 THR CA . 6988 1 606 . 1 1 61 61 THR CB C 13 70.379 0.068 . 1 . . . . 61 THR CB . 6988 1 607 . 1 1 61 61 THR CG2 C 13 21.366 0.057 . 1 . . . . 61 THR CG . 6988 1 608 . 1 1 61 61 THR N N 15 123.159 0.068 . 1 . . . . 61 THR N . 6988 1 609 . 1 1 62 62 GLU H H 1 8.230 0.001 . 1 . . . . 62 GLU HN . 6988 1 610 . 1 1 62 62 GLU HA H 1 4.472 0.009 . 1 . . . . 62 GLU HA . 6988 1 611 . 1 1 62 62 GLU HB2 H 1 2.024 0.010 . 2 . . . . 62 GLU HB1 . 6988 1 612 . 1 1 62 62 GLU HB3 H 1 2.150 0.006 . 2 . . . . 62 GLU HB2 . 6988 1 613 . 1 1 62 62 GLU HG2 H 1 2.382 0.006 . 2 . . . . 62 GLU HG# . 6988 1 614 . 1 1 62 62 GLU HG3 H 1 2.382 0.006 . 2 . . . . 62 GLU HG# . 6988 1 615 . 1 1 62 62 GLU C C 13 174.785 0.020 . 1 . . . . 62 GLU C . 6988 1 616 . 1 1 62 62 GLU CA C 13 56.633 0.001 . 1 . . . . 62 GLU CA . 6988 1 617 . 1 1 62 62 GLU CB C 13 31.709 0.091 . 1 . . . . 62 GLU CB . 6988 1 618 . 1 1 62 62 GLU CG C 13 36.657 0.067 . 1 . . . . 62 GLU CG . 6988 1 619 . 1 1 62 62 GLU N N 15 128.077 0.035 . 1 . . . . 62 GLU N . 6988 1 620 . 1 1 63 63 GLY H H 1 8.714 0.004 . 1 . . . . 63 GLY HN . 6988 1 621 . 1 1 63 63 GLY HA2 H 1 3.941 0.006 . 2 . . . . 63 GLY HA1 . 6988 1 622 . 1 1 63 63 GLY HA3 H 1 4.065 0.003 . 2 . . . . 63 GLY HA2 . 6988 1 623 . 1 1 63 63 GLY C C 13 172.178 0.020 . 1 . . . . 63 GLY C . 6988 1 624 . 1 1 63 63 GLY CA C 13 45.372 0.058 . 1 . . . . 63 GLY CA . 6988 1 625 . 1 1 63 63 GLY N N 15 112.256 0.036 . 1 . . . . 63 GLY N . 6988 1 626 . 1 1 64 64 SER H H 1 8.262 0.003 . 1 . . . . 64 SER HN . 6988 1 627 . 1 1 64 64 SER HA H 1 4.375 0.004 . 1 . . . . 64 SER HA . 6988 1 628 . 1 1 64 64 SER HB2 H 1 3.651 0.006 . 2 . . . . 64 SER HB1 . 6988 1 629 . 1 1 64 64 SER HB3 H 1 3.846 0.002 . 2 . . . . 64 SER HB2 . 6988 1 630 . 1 1 64 64 SER C C 13 173.817 0.020 . 1 . . . . 64 SER C . 6988 1 631 . 1 1 64 64 SER CA C 13 58.172 0.084 . 1 . . . . 64 SER CA . 6988 1 632 . 1 1 64 64 SER CB C 13 63.953 0.084 . 1 . . . . 64 SER CB . 6988 1 633 . 1 1 64 64 SER N N 15 115.086 0.037 . 1 . . . . 64 SER N . 6988 1 634 . 1 1 65 65 GLN H H 1 8.592 0.002 . 1 . . . . 65 GLN HN . 6988 1 635 . 1 1 65 65 GLN HA H 1 4.048 0.003 . 1 . . . . 65 GLN HA . 6988 1 636 . 1 1 65 65 GLN HB2 H 1 1.429 0.003 . 2 . . . . 65 GLN HB1 . 6988 1 637 . 1 1 65 65 GLN HB3 H 1 1.565 0.004 . 2 . . . . 65 GLN HB2 . 6988 1 638 . 1 1 65 65 GLN HG2 H 1 1.568 0.007 . 2 . . . . 65 GLN HG# . 6988 1 639 . 1 1 65 65 GLN HG3 H 1 1.568 0.007 . 2 . . . . 65 GLN HG# . 6988 1 640 . 1 1 65 65 GLN C C 13 174.048 0.020 . 1 . . . . 65 GLN C . 6988 1 641 . 1 1 65 65 GLN CA C 13 56.856 0.048 . 1 . . . . 65 GLN CA . 6988 1 642 . 1 1 65 65 GLN CB C 13 28.906 0.026 . 1 . . . . 65 GLN CB . 6988 1 643 . 1 1 65 65 GLN CG C 13 32.930 0.063 . 1 . . . . 65 GLN CG . 6988 1 644 . 1 1 65 65 GLN N N 15 123.613 0.027 . 1 . . . . 65 GLN N . 6988 1 645 . 1 1 66 66 TRP H H 1 8.094 0.002 . 1 . . . . 66 TRP HN . 6988 1 646 . 1 1 66 66 TRP HA H 1 5.167 0.007 . 1 . . . . 66 TRP HA . 6988 1 647 . 1 1 66 66 TRP HB2 H 1 3.082 0.006 . 2 . . . . 66 TRP HB1 . 6988 1 648 . 1 1 66 66 TRP HB3 H 1 3.486 0.009 . 2 . . . . 66 TRP HB2 . 6988 1 649 . 1 1 66 66 TRP HD1 H 1 6.986 0.004 . 1 . . . . 66 TRP HD1 . 6988 1 650 . 1 1 66 66 TRP HE1 H 1 10.002 0.002 . 1 . . . . 66 TRP HE1 . 6988 1 651 . 1 1 66 66 TRP HE3 H 1 7.478 0.002 . 1 . . . . 66 TRP HE3 . 6988 1 652 . 1 1 66 66 TRP C C 13 174.459 0.020 . 1 . . . . 66 TRP C . 6988 1 653 . 1 1 66 66 TRP CA C 13 55.101 0.031 . 1 . . . . 66 TRP CA . 6988 1 654 . 1 1 66 66 TRP CB C 13 29.368 0.044 . 1 . . . . 66 TRP CB . 6988 1 655 . 1 1 66 66 TRP N N 15 116.822 0.046 . 1 . . . . 66 TRP N . 6988 1 656 . 1 1 67 67 GLN H H 1 7.959 0.004 . 1 . . . . 67 GLN HN . 6988 1 657 . 1 1 67 67 GLN HA H 1 4.095 0.009 . 1 . . . . 67 GLN HA . 6988 1 658 . 1 1 67 67 GLN HB2 H 1 2.197 0.005 . 2 . . . . 67 GLN HB1 . 6988 1 659 . 1 1 67 67 GLN HB3 H 1 2.275 0.002 . 2 . . . . 67 GLN HB2 . 6988 1 660 . 1 1 67 67 GLN HG2 H 1 2.445 0.007 . 2 . . . . 67 GLN HG# . 6988 1 661 . 1 1 67 67 GLN HG3 H 1 2.445 0.007 . 2 . . . . 67 GLN HG# . 6988 1 662 . 1 1 67 67 GLN C C 13 173.593 0.020 . 1 . . . . 67 GLN C . 6988 1 663 . 1 1 67 67 GLN CA C 13 60.981 0.053 . 1 . . . . 67 GLN CA . 6988 1 664 . 1 1 67 67 GLN CB C 13 26.058 0.024 . 1 . . . . 67 GLN CB . 6988 1 665 . 1 1 67 67 GLN CG C 13 33.748 0.049 . 1 . . . . 67 GLN CG . 6988 1 666 . 1 1 67 67 GLN N N 15 118.769 0.083 . 1 . . . . 67 GLN N . 6988 1 667 . 1 1 68 68 PRO HA H 1 4.361 0.005 . 1 . . . . 68 PRO HA . 6988 1 668 . 1 1 68 68 PRO HB2 H 1 1.822 0.008 . 2 . . . . 68 PRO HB1 . 6988 1 669 . 1 1 68 68 PRO HB3 H 1 2.364 0.004 . 2 . . . . 68 PRO HB2 . 6988 1 670 . 1 1 68 68 PRO HG2 H 1 1.993 0.005 . 2 . . . . 68 PRO HG1 . 6988 1 671 . 1 1 68 68 PRO HG3 H 1 2.189 0.005 . 2 . . . . 68 PRO HG2 . 6988 1 672 . 1 1 68 68 PRO HD2 H 1 3.809 0.003 . 2 . . . . 68 PRO HD1 . 6988 1 673 . 1 1 68 68 PRO HD3 H 1 3.869 0.010 . 2 . . . . 68 PRO HD2 . 6988 1 674 . 1 1 68 68 PRO C C 13 178.571 0.020 . 1 . . . . 68 PRO C . 6988 1 675 . 1 1 68 68 PRO CA C 13 66.205 0.032 . 1 . . . . 68 PRO CA . 6988 1 676 . 1 1 68 68 PRO CB C 13 30.859 0.039 . 1 . . . . 68 PRO CB . 6988 1 677 . 1 1 68 68 PRO CG C 13 28.555 0.035 . 1 . . . . 68 PRO CG . 6988 1 678 . 1 1 68 68 PRO CD C 13 50.231 0.044 . 1 . . . . 68 PRO CD . 6988 1 679 . 1 1 69 69 GLN H H 1 8.320 0.002 . 1 . . . . 69 GLN HN . 6988 1 680 . 1 1 69 69 GLN HA H 1 4.071 0.005 . 1 . . . . 69 GLN HA . 6988 1 681 . 1 1 69 69 GLN HB2 H 1 1.769 0.008 . 2 . . . . 69 GLN HB1 . 6988 1 682 . 1 1 69 69 GLN HB3 H 1 2.427 0.011 . 2 . . . . 69 GLN HB2 . 6988 1 683 . 1 1 69 69 GLN HG2 H 1 2.465 0.005 . 2 . . . . 69 GLN HG1 . 6988 1 684 . 1 1 69 69 GLN HG3 H 1 2.913 0.092 . 2 . . . . 69 GLN HG2 . 6988 1 685 . 1 1 69 69 GLN C C 13 176.226 0.020 . 1 . . . . 69 GLN C . 6988 1 686 . 1 1 69 69 GLN CA C 13 60.724 0.036 . 1 . . . . 69 GLN CA . 6988 1 687 . 1 1 69 69 GLN CB C 13 28.374 0.032 . 1 . . . . 69 GLN CB . 6988 1 688 . 1 1 69 69 GLN CG C 13 34.782 0.062 . 1 . . . . 69 GLN CG . 6988 1 689 . 1 1 69 69 GLN N N 15 118.962 0.043 . 1 . . . . 69 GLN N . 6988 1 690 . 1 1 70 70 LEU H H 1 8.779 0.004 . 1 . . . . 70 LEU HN . 6988 1 691 . 1 1 70 70 LEU HA H 1 3.923 0.007 . 1 . . . . 70 LEU HA . 6988 1 692 . 1 1 70 70 LEU HB2 H 1 1.513 0.008 . 2 . . . . 70 LEU HB1 . 6988 1 693 . 1 1 70 70 LEU HB3 H 1 1.879 0.009 . 2 . . . . 70 LEU HB2 . 6988 1 694 . 1 1 70 70 LEU HG H 1 1.477 0.006 . 1 . . . . 70 LEU HG . 6988 1 695 . 1 1 70 70 LEU HD11 H 1 0.858 0.007 . 2 . . . . 70 LEU HD1# . 6988 1 696 . 1 1 70 70 LEU HD12 H 1 0.858 0.007 . 2 . . . . 70 LEU HD1# . 6988 1 697 . 1 1 70 70 LEU HD13 H 1 0.858 0.007 . 2 . . . . 70 LEU HD1# . 6988 1 698 . 1 1 70 70 LEU HD21 H 1 0.944 0.006 . 2 . . . . 70 LEU HD2# . 6988 1 699 . 1 1 70 70 LEU HD22 H 1 0.944 0.006 . 2 . . . . 70 LEU HD2# . 6988 1 700 . 1 1 70 70 LEU HD23 H 1 0.944 0.006 . 2 . . . . 70 LEU HD2# . 6988 1 701 . 1 1 70 70 LEU C C 13 177.393 0.020 . 1 . . . . 70 LEU C . 6988 1 702 . 1 1 70 70 LEU CA C 13 58.160 0.062 . 1 . . . . 70 LEU CA . 6988 1 703 . 1 1 70 70 LEU CB C 13 41.836 0.028 . 1 . . . . 70 LEU CB . 6988 1 704 . 1 1 70 70 LEU CG C 13 27.375 0.039 . 1 . . . . 70 LEU CG . 6988 1 705 . 1 1 70 70 LEU CD1 C 13 25.468 0.091 . 2 . . . . 70 LEU CD1 . 6988 1 706 . 1 1 70 70 LEU CD2 C 13 24.935 0.053 . 2 . . . . 70 LEU CD2 . 6988 1 707 . 1 1 70 70 LEU N N 15 121.429 0.053 . 1 . . . . 70 LEU N . 6988 1 708 . 1 1 71 71 GLN H H 1 8.082 0.002 . 1 . . . . 71 GLN HN . 6988 1 709 . 1 1 71 71 GLN HA H 1 3.813 0.003 . 1 . . . . 71 GLN HA . 6988 1 710 . 1 1 71 71 GLN HB2 H 1 2.168 0.001 . 2 . . . . 71 GLN HB1 . 6988 1 711 . 1 1 71 71 GLN HB3 H 1 2.232 0.004 . 2 . . . . 71 GLN HB2 . 6988 1 712 . 1 1 71 71 GLN HG2 H 1 2.441 0.010 . 2 . . . . 71 GLN HG# . 6988 1 713 . 1 1 71 71 GLN HG3 H 1 2.441 0.010 . 2 . . . . 71 GLN HG# . 6988 1 714 . 1 1 71 71 GLN C C 13 176.180 0.020 . 1 . . . . 71 GLN C . 6988 1 715 . 1 1 71 71 GLN CA C 13 58.628 0.046 . 1 . . . . 71 GLN CA . 6988 1 716 . 1 1 71 71 GLN CB C 13 27.897 0.064 . 1 . . . . 71 GLN CB . 6988 1 717 . 1 1 71 71 GLN CG C 13 33.646 0.083 . 1 . . . . 71 GLN CG . 6988 1 718 . 1 1 71 71 GLN N N 15 117.381 0.020 . 1 . . . . 71 GLN N . 6988 1 719 . 1 1 72 72 GLN H H 1 7.620 0.003 . 1 . . . . 72 GLN HN . 6988 1 720 . 1 1 72 72 GLN HA H 1 4.141 0.012 . 1 . . . . 72 GLN HA . 6988 1 721 . 1 1 72 72 GLN HB2 H 1 2.104 0.005 . 2 . . . . 72 GLN HB1 . 6988 1 722 . 1 1 72 72 GLN HB3 H 1 2.358 0.008 . 2 . . . . 72 GLN HB2 . 6988 1 723 . 1 1 72 72 GLN HG2 H 1 2.394 0.008 . 2 . . . . 72 GLN HG1 . 6988 1 724 . 1 1 72 72 GLN HG3 H 1 2.570 0.010 . 2 . . . . 72 GLN HG2 . 6988 1 725 . 1 1 72 72 GLN C C 13 177.577 0.020 . 1 . . . . 72 GLN C . 6988 1 726 . 1 1 72 72 GLN CA C 13 59.557 0.033 . 1 . . . . 72 GLN CA . 6988 1 727 . 1 1 72 72 GLN CB C 13 28.579 0.043 . 1 . . . . 72 GLN CB . 6988 1 728 . 1 1 72 72 GLN CG C 13 34.705 0.060 . 1 . . . . 72 GLN CG . 6988 1 729 . 1 1 72 72 GLN N N 15 117.955 0.028 . 1 . . . . 72 GLN N . 6988 1 730 . 1 1 73 73 LEU H H 1 7.950 0.002 . 1 . . . . 73 LEU HN . 6988 1 731 . 1 1 73 73 LEU HA H 1 4.103 0.005 . 1 . . . . 73 LEU HA . 6988 1 732 . 1 1 73 73 LEU HB2 H 1 1.388 0.007 . 2 . . . . 73 LEU HB1 . 6988 1 733 . 1 1 73 73 LEU HB3 H 1 2.046 0.007 . 2 . . . . 73 LEU HB2 . 6988 1 734 . 1 1 73 73 LEU HG H 1 1.798 0.010 . 1 . . . . 73 LEU HG . 6988 1 735 . 1 1 73 73 LEU HD11 H 1 0.793 0.011 . 2 . . . . 73 LEU HD1# . 6988 1 736 . 1 1 73 73 LEU HD12 H 1 0.793 0.011 . 2 . . . . 73 LEU HD1# . 6988 1 737 . 1 1 73 73 LEU HD13 H 1 0.793 0.011 . 2 . . . . 73 LEU HD1# . 6988 1 738 . 1 1 73 73 LEU HD21 H 1 0.793 0.011 . 2 . . . . 73 LEU HD2# . 6988 1 739 . 1 1 73 73 LEU HD22 H 1 0.793 0.011 . 2 . . . . 73 LEU HD2# . 6988 1 740 . 1 1 73 73 LEU HD23 H 1 0.793 0.011 . 2 . . . . 73 LEU HD2# . 6988 1 741 . 1 1 73 73 LEU C C 13 178.316 0.020 . 1 . . . . 73 LEU C . 6988 1 742 . 1 1 73 73 LEU CA C 13 58.620 0.092 . 1 . . . . 73 LEU CA . 6988 1 743 . 1 1 73 73 LEU CB C 13 40.423 0.071 . 1 . . . . 73 LEU CB . 6988 1 744 . 1 1 73 73 LEU CG C 13 27.682 0.061 . 1 . . . . 73 LEU CG . 6988 1 745 . 1 1 73 73 LEU CD1 C 13 26.242 0.047 . 2 . . . . 73 LEU CD . 6988 1 746 . 1 1 73 73 LEU CD2 C 13 26.242 0.047 . 2 . . . . 73 LEU CD . 6988 1 747 . 1 1 73 73 LEU N N 15 120.200 0.021 . 1 . . . . 73 LEU N . 6988 1 748 . 1 1 74 74 ARG H H 1 8.542 0.004 . 1 . . . . 74 ARG HN . 6988 1 749 . 1 1 74 74 ARG HA H 1 4.394 0.004 . 1 . . . . 74 ARG HA . 6988 1 750 . 1 1 74 74 ARG HB2 H 1 1.878 0.002 . 2 . . . . 74 ARG HB1 . 6988 1 751 . 1 1 74 74 ARG HB3 H 1 1.973 0.003 . 2 . . . . 74 ARG HB2 . 6988 1 752 . 1 1 74 74 ARG HG2 H 1 1.724 0.004 . 2 . . . . 74 ARG HG1 . 6988 1 753 . 1 1 74 74 ARG HG3 H 1 1.899 0.007 . 2 . . . . 74 ARG HG2 . 6988 1 754 . 1 1 74 74 ARG HD2 H 1 3.097 0.010 . 2 . . . . 74 ARG HD1 . 6988 1 755 . 1 1 74 74 ARG HD3 H 1 3.187 0.002 . 2 . . . . 74 ARG HD2 . 6988 1 756 . 1 1 74 74 ARG C C 13 180.503 0.020 . 1 . . . . 74 ARG C . 6988 1 757 . 1 1 74 74 ARG CA C 13 59.421 0.075 . 1 . . . . 74 ARG CA . 6988 1 758 . 1 1 74 74 ARG CB C 13 30.391 0.018 . 1 . . . . 74 ARG CB . 6988 1 759 . 1 1 74 74 ARG CG C 13 27.280 0.059 . 1 . . . . 74 ARG CG . 6988 1 760 . 1 1 74 74 ARG CD C 13 44.327 0.038 . 1 . . . . 74 ARG CD . 6988 1 761 . 1 1 74 74 ARG N N 15 121.449 0.028 . 1 . . . . 74 ARG N . 6988 1 762 . 1 1 75 75 ASP H H 1 8.527 0.005 . 1 . . . . 75 ASP HN . 6988 1 763 . 1 1 75 75 ASP HA H 1 4.444 0.004 . 1 . . . . 75 ASP HA . 6988 1 764 . 1 1 75 75 ASP HB2 H 1 2.738 0.005 . 2 . . . . 75 ASP HB1 . 6988 1 765 . 1 1 75 75 ASP HB3 H 1 2.903 0.007 . 2 . . . . 75 ASP HB2 . 6988 1 766 . 1 1 75 75 ASP C C 13 176.569 0.020 . 1 . . . . 75 ASP C . 6988 1 767 . 1 1 75 75 ASP CA C 13 57.005 0.034 . 1 . . . . 75 ASP CA . 6988 1 768 . 1 1 75 75 ASP CB C 13 40.086 0.051 . 1 . . . . 75 ASP CB . 6988 1 769 . 1 1 75 75 ASP N N 15 121.513 0.045 . 1 . . . . 75 ASP N . 6988 1 770 . 1 1 76 76 MET H H 1 7.674 0.004 . 1 . . . . 76 MET HN . 6988 1 771 . 1 1 76 76 MET HA H 1 4.461 0.007 . 1 . . . . 76 MET HA . 6988 1 772 . 1 1 76 76 MET HB2 H 1 2.313 0.003 . 2 . . . . 76 MET HB1 . 6988 1 773 . 1 1 76 76 MET HB3 H 1 2.385 0.003 . 2 . . . . 76 MET HB2 . 6988 1 774 . 1 1 76 76 MET HG2 H 1 2.892 0.007 . 2 . . . . 76 MET HG1 . 6988 1 775 . 1 1 76 76 MET HG3 H 1 2.709 0.004 . 2 . . . . 76 MET HG2 . 6988 1 776 . 1 1 76 76 MET C C 13 174.557 0.020 . 1 . . . . 76 MET C . 6988 1 777 . 1 1 76 76 MET CA C 13 56.409 0.045 . 1 . . . . 76 MET CA . 6988 1 778 . 1 1 76 76 MET CB C 13 32.773 0.184 . 1 . . . . 76 MET CB . 6988 1 779 . 1 1 76 76 MET CG C 13 32.573 0.073 . 1 . . . . 76 MET CG . 6988 1 780 . 1 1 76 76 MET N N 15 118.002 0.023 . 1 . . . . 76 MET N . 6988 1 781 . 1 1 77 77 GLY H H 1 8.007 0.005 . 1 . . . . 77 GLY HN . 6988 1 782 . 1 1 77 77 GLY HA2 H 1 3.697 0.009 . 2 . . . . 77 GLY HA1 . 6988 1 783 . 1 1 77 77 GLY HA3 H 1 4.382 0.004 . 2 . . . . 77 GLY HA2 . 6988 1 784 . 1 1 77 77 GLY C C 13 172.640 0.020 . 1 . . . . 77 GLY C . 6988 1 785 . 1 1 77 77 GLY CA C 13 45.059 0.024 . 1 . . . . 77 GLY CA . 6988 1 786 . 1 1 77 77 GLY N N 15 106.615 0.052 . 1 . . . . 77 GLY N . 6988 1 787 . 1 1 78 78 ILE H H 1 7.897 0.002 . 1 . . . . 78 ILE HN . 6988 1 788 . 1 1 78 78 ILE HA H 1 4.048 0.006 . 1 . . . . 78 ILE HA . 6988 1 789 . 1 1 78 78 ILE HB H 1 1.748 0.008 . 1 . . . . 78 ILE HB . 6988 1 790 . 1 1 78 78 ILE HG12 H 1 1.299 0.009 . 2 . . . . 78 ILE HG1# . 6988 1 791 . 1 1 78 78 ILE HG13 H 1 1.299 0.009 . 2 . . . . 78 ILE HG1# . 6988 1 792 . 1 1 78 78 ILE HG21 H 1 0.822 0.009 . 2 . . . . 78 ILE HG2# . 6988 1 793 . 1 1 78 78 ILE HG22 H 1 0.822 0.009 . 2 . . . . 78 ILE HG2# . 6988 1 794 . 1 1 78 78 ILE HG23 H 1 0.822 0.009 . 2 . . . . 78 ILE HG2# . 6988 1 795 . 1 1 78 78 ILE HD11 H 1 0.778 0.007 . 2 . . . . 78 ILE HD1# . 6988 1 796 . 1 1 78 78 ILE HD12 H 1 0.778 0.007 . 2 . . . . 78 ILE HD1# . 6988 1 797 . 1 1 78 78 ILE HD13 H 1 0.778 0.007 . 2 . . . . 78 ILE HD1# . 6988 1 798 . 1 1 78 78 ILE C C 13 174.968 0.020 . 1 . . . . 78 ILE C . 6988 1 799 . 1 1 78 78 ILE CA C 13 60.793 0.052 . 1 . . . . 78 ILE CA . 6988 1 800 . 1 1 78 78 ILE CB C 13 35.737 0.128 . 1 . . . . 78 ILE CB . 6988 1 801 . 1 1 78 78 ILE CG1 C 13 27.495 0.040 . 1 . . . . 78 ILE CG1 . 6988 1 802 . 1 1 78 78 ILE CG2 C 13 18.153 0.073 . 1 . . . . 78 ILE CG2 . 6988 1 803 . 1 1 78 78 ILE CD1 C 13 12.046 0.059 . 1 . . . . 78 ILE CD1 . 6988 1 804 . 1 1 78 78 ILE N N 15 122.607 0.034 . 1 . . . . 78 ILE N . 6988 1 805 . 1 1 79 79 GLN H H 1 8.553 0.005 . 1 . . . . 79 GLN HN . 6988 1 806 . 1 1 79 79 GLN HA H 1 4.441 0.007 . 1 . . . . 79 GLN HA . 6988 1 807 . 1 1 79 79 GLN HB2 H 1 1.874 0.005 . 2 . . . . 79 GLN HB1 . 6988 1 808 . 1 1 79 79 GLN HB3 H 1 2.258 0.005 . 2 . . . . 79 GLN HB2 . 6988 1 809 . 1 1 79 79 GLN HG2 H 1 2.269 0.004 . 2 . . . . 79 GLN HG1 . 6988 1 810 . 1 1 79 79 GLN HG3 H 1 2.358 0.002 . 2 . . . . 79 GLN HG2 . 6988 1 811 . 1 1 79 79 GLN C C 13 173.714 0.020 . 1 . . . . 79 GLN C . 6988 1 812 . 1 1 79 79 GLN CA C 13 55.915 0.063 . 1 . . . . 79 GLN CA . 6988 1 813 . 1 1 79 79 GLN CB C 13 29.578 0.023 . 1 . . . . 79 GLN CB . 6988 1 814 . 1 1 79 79 GLN CG C 13 33.895 0.065 . 1 . . . . 79 GLN CG . 6988 1 815 . 1 1 79 79 GLN N N 15 126.717 0.032 . 1 . . . . 79 GLN N . 6988 1 816 . 1 1 80 80 ASP H H 1 7.180 0.003 . 1 . . . . 80 ASP HN . 6988 1 817 . 1 1 80 80 ASP HA H 1 4.727 0.007 . 1 . . . . 80 ASP HA . 6988 1 818 . 1 1 80 80 ASP HB2 H 1 2.523 0.006 . 2 . . . . 80 ASP HB1 . 6988 1 819 . 1 1 80 80 ASP HB3 H 1 2.875 0.009 . 2 . . . . 80 ASP HB2 . 6988 1 820 . 1 1 80 80 ASP C C 13 173.426 0.020 . 1 . . . . 80 ASP C . 6988 1 821 . 1 1 80 80 ASP CA C 13 52.689 0.066 . 1 . . . . 80 ASP CA . 6988 1 822 . 1 1 80 80 ASP CB C 13 40.572 0.043 . 1 . . . . 80 ASP CB . 6988 1 823 . 1 1 80 80 ASP N N 15 118.811 0.025 . 1 . . . . 80 ASP N . 6988 1 824 . 1 1 81 81 ASP H H 1 8.484 0.004 . 1 . . . . 81 ASP HN . 6988 1 825 . 1 1 81 81 ASP HA H 1 4.227 0.007 . 1 . . . . 81 ASP HA . 6988 1 826 . 1 1 81 81 ASP HB2 H 1 2.690 0.009 . 2 . . . . 81 ASP HB# . 6988 1 827 . 1 1 81 81 ASP HB3 H 1 2.690 0.009 . 2 . . . . 81 ASP HB# . 6988 1 828 . 1 1 81 81 ASP C C 13 176.279 0.020 . 1 . . . . 81 ASP C . 6988 1 829 . 1 1 81 81 ASP CA C 13 57.060 0.050 . 1 . . . . 81 ASP CA . 6988 1 830 . 1 1 81 81 ASP CB C 13 40.733 0.037 . 1 . . . . 81 ASP CB . 6988 1 831 . 1 1 81 81 ASP N N 15 125.380 0.075 . 1 . . . . 81 ASP N . 6988 1 832 . 1 1 82 82 GLU H H 1 8.195 0.003 . 1 . . . . 82 GLU HN . 6988 1 833 . 1 1 82 82 GLU HA H 1 4.003 0.006 . 1 . . . . 82 GLU HA . 6988 1 834 . 1 1 82 82 GLU HB2 H 1 2.087 0.006 . 2 . . . . 82 GLU HB# . 6988 1 835 . 1 1 82 82 GLU HB3 H 1 2.087 0.006 . 2 . . . . 82 GLU HB# . 6988 1 836 . 1 1 82 82 GLU HG2 H 1 2.250 0.010 . 2 . . . . 82 GLU HG# . 6988 1 837 . 1 1 82 82 GLU HG3 H 1 2.250 0.010 . 2 . . . . 82 GLU HG# . 6988 1 838 . 1 1 82 82 GLU C C 13 177.563 0.020 . 1 . . . . 82 GLU C . 6988 1 839 . 1 1 82 82 GLU CA C 13 59.796 0.051 . 1 . . . . 82 GLU CA . 6988 1 840 . 1 1 82 82 GLU CB C 13 29.238 0.063 . 1 . . . . 82 GLU CB . 6988 1 841 . 1 1 82 82 GLU CG C 13 36.550 0.109 . 1 . . . . 82 GLU CG . 6988 1 842 . 1 1 82 82 GLU N N 15 118.879 0.027 . 1 . . . . 82 GLU N . 6988 1 843 . 1 1 83 83 LEU H H 1 7.315 0.003 . 1 . . . . 83 LEU HN . 6988 1 844 . 1 1 83 83 LEU HA H 1 3.980 0.007 . 1 . . . . 83 LEU HA . 6988 1 845 . 1 1 83 83 LEU HB2 H 1 1.534 0.010 . 2 . . . . 83 LEU HB1 . 6988 1 846 . 1 1 83 83 LEU HB3 H 1 1.797 0.011 . 2 . . . . 83 LEU HB2 . 6988 1 847 . 1 1 83 83 LEU HG H 1 1.445 0.007 . 1 . . . . 83 LEU HG . 6988 1 848 . 1 1 83 83 LEU HD11 H 1 0.903 0.011 . 2 . . . . 83 LEU HD1# . 6988 1 849 . 1 1 83 83 LEU HD12 H 1 0.903 0.011 . 2 . . . . 83 LEU HD1# . 6988 1 850 . 1 1 83 83 LEU HD13 H 1 0.903 0.011 . 2 . . . . 83 LEU HD1# . 6988 1 851 . 1 1 83 83 LEU HD21 H 1 0.903 0.011 . 2 . . . . 83 LEU HD2# . 6988 1 852 . 1 1 83 83 LEU HD22 H 1 0.903 0.011 . 2 . . . . 83 LEU HD2# . 6988 1 853 . 1 1 83 83 LEU HD23 H 1 0.903 0.011 . 2 . . . . 83 LEU HD2# . 6988 1 854 . 1 1 83 83 LEU C C 13 177.518 0.020 . 1 . . . . 83 LEU C . 6988 1 855 . 1 1 83 83 LEU CA C 13 57.686 0.070 . 1 . . . . 83 LEU CA . 6988 1 856 . 1 1 83 83 LEU CB C 13 41.694 0.069 . 1 . . . . 83 LEU CB . 6988 1 857 . 1 1 83 83 LEU CG C 13 27.240 0.127 . 1 . . . . 83 LEU CG . 6988 1 858 . 1 1 83 83 LEU CD1 C 13 23.486 0.098 . 2 . . . . 83 LEU CD . 6988 1 859 . 1 1 83 83 LEU CD2 C 13 23.486 0.098 . 2 . . . . 83 LEU CD . 6988 1 860 . 1 1 83 83 LEU N N 15 122.192 0.034 . 1 . . . . 83 LEU N . 6988 1 861 . 1 1 84 84 SER H H 1 8.287 0.002 . 1 . . . . 84 SER HN . 6988 1 862 . 1 1 84 84 SER HA H 1 3.784 0.003 . 1 . . . . 84 SER HA . 6988 1 863 . 1 1 84 84 SER HB2 H 1 3.492 0.005 . 2 . . . . 84 SER HB1 . 6988 1 864 . 1 1 84 84 SER HB3 H 1 3.887 0.009 . 2 . . . . 84 SER HB2 . 6988 1 865 . 1 1 84 84 SER C C 13 174.426 0.020 . 1 . . . . 84 SER C . 6988 1 866 . 1 1 84 84 SER CA C 13 62.594 0.047 . 1 . . . . 84 SER CA . 6988 1 867 . 1 1 84 84 SER CB C 13 63.158 0.037 . 1 . . . . 84 SER CB . 6988 1 868 . 1 1 84 84 SER N N 15 116.554 0.056 . 1 . . . . 84 SER N . 6988 1 869 . 1 1 85 85 LEU H H 1 8.433 0.003 . 1 . . . . 85 LEU HN . 6988 1 870 . 1 1 85 85 LEU HA H 1 3.923 0.005 . 1 . . . . 85 LEU HA . 6988 1 871 . 1 1 85 85 LEU HB2 H 1 1.595 0.008 . 2 . . . . 85 LEU HB1 . 6988 1 872 . 1 1 85 85 LEU HB3 H 1 1.831 0.004 . 2 . . . . 85 LEU HB2 . 6988 1 873 . 1 1 85 85 LEU HG H 1 1.734 0.002 . 1 . . . . 85 LEU HG . 6988 1 874 . 1 1 85 85 LEU HD11 H 1 0.953 0.007 . 2 . . . . 85 LEU HD1# . 6988 1 875 . 1 1 85 85 LEU HD12 H 1 0.953 0.007 . 2 . . . . 85 LEU HD1# . 6988 1 876 . 1 1 85 85 LEU HD13 H 1 0.953 0.007 . 2 . . . . 85 LEU HD1# . 6988 1 877 . 1 1 85 85 LEU HD21 H 1 0.982 0.002 . 2 . . . . 85 LEU HD2# . 6988 1 878 . 1 1 85 85 LEU HD22 H 1 0.982 0.002 . 2 . . . . 85 LEU HD2# . 6988 1 879 . 1 1 85 85 LEU HD23 H 1 0.982 0.002 . 2 . . . . 85 LEU HD2# . 6988 1 880 . 1 1 85 85 LEU C C 13 177.894 0.020 . 1 . . . . 85 LEU C . 6988 1 881 . 1 1 85 85 LEU CA C 13 58.352 0.027 . 1 . . . . 85 LEU CA . 6988 1 882 . 1 1 85 85 LEU CB C 13 41.796 0.063 . 1 . . . . 85 LEU CB . 6988 1 883 . 1 1 85 85 LEU CG C 13 27.432 0.018 . 1 . . . . 85 LEU CG . 6988 1 884 . 1 1 85 85 LEU CD1 C 13 24.508 0.045 . 2 . . . . 85 LEU CD1 . 6988 1 885 . 1 1 85 85 LEU CD2 C 13 24.387 0.082 . 2 . . . . 85 LEU CD2 . 6988 1 886 . 1 1 85 85 LEU N N 15 120.511 0.044 . 1 . . . . 85 LEU N . 6988 1 887 . 1 1 86 86 ARG H H 1 7.800 0.002 . 1 . . . . 86 ARG HN . 6988 1 888 . 1 1 86 86 ARG HA H 1 4.023 0.006 . 1 . . . . 86 ARG HA . 6988 1 889 . 1 1 86 86 ARG HB2 H 1 1.843 0.009 . 2 . . . . 86 ARG HB1 . 6988 1 890 . 1 1 86 86 ARG HB3 H 1 1.980 0.009 . 2 . . . . 86 ARG HB2 . 6988 1 891 . 1 1 86 86 ARG HG2 H 1 1.602 0.005 . 2 . . . . 86 ARG HG1 . 6988 1 892 . 1 1 86 86 ARG HG3 H 1 1.870 0.008 . 2 . . . . 86 ARG HG2 . 6988 1 893 . 1 1 86 86 ARG HD2 H 1 3.211 0.007 . 2 . . . . 86 ARG HD# . 6988 1 894 . 1 1 86 86 ARG HD3 H 1 3.211 0.007 . 2 . . . . 86 ARG HD# . 6988 1 895 . 1 1 86 86 ARG C C 13 178.175 0.020 . 1 . . . . 86 ARG C . 6988 1 896 . 1 1 86 86 ARG CA C 13 59.777 0.045 . 1 . . . . 86 ARG CA . 6988 1 897 . 1 1 86 86 ARG CB C 13 30.288 0.052 . 1 . . . . 86 ARG CB . 6988 1 898 . 1 1 86 86 ARG CG C 13 28.072 0.048 . 1 . . . . 86 ARG CG . 6988 1 899 . 1 1 86 86 ARG CD C 13 43.671 0.056 . 1 . . . . 86 ARG CD . 6988 1 900 . 1 1 86 86 ARG N N 15 119.380 0.024 . 1 . . . . 86 ARG N . 6988 1 901 . 1 1 87 87 ALA H H 1 8.247 0.002 . 1 . . . . 87 ALA HN . 6988 1 902 . 1 1 87 87 ALA HA H 1 4.016 0.004 . 1 . . . . 87 ALA HA . 6988 1 903 . 1 1 87 87 ALA HB1 H 1 1.437 0.008 . 2 . . . . 87 ALA HB# . 6988 1 904 . 1 1 87 87 ALA HB2 H 1 1.437 0.008 . 2 . . . . 87 ALA HB# . 6988 1 905 . 1 1 87 87 ALA HB3 H 1 1.437 0.008 . 2 . . . . 87 ALA HB# . 6988 1 906 . 1 1 87 87 ALA C C 13 177.562 0.020 . 1 . . . . 87 ALA C . 6988 1 907 . 1 1 87 87 ALA CA C 13 55.244 0.086 . 1 . . . . 87 ALA CA . 6988 1 908 . 1 1 87 87 ALA CB C 13 18.723 0.082 . 1 . . . . 87 ALA CB . 6988 1 909 . 1 1 87 87 ALA N N 15 122.906 0.047 . 1 . . . . 87 ALA N . 6988 1 910 . 1 1 88 88 LEU H H 1 8.404 0.004 . 1 . . . . 88 LEU HN . 6988 1 911 . 1 1 88 88 LEU HA H 1 3.539 0.007 . 1 . . . . 88 LEU HA . 6988 1 912 . 1 1 88 88 LEU HB2 H 1 1.573 0.003 . 2 . . . . 88 LEU HB1 . 6988 1 913 . 1 1 88 88 LEU HB3 H 1 0.321 0.007 . 2 . . . . 88 LEU HB2 . 6988 1 914 . 1 1 88 88 LEU HG H 1 0.678 0.008 . 1 . . . . 88 LEU HG . 6988 1 915 . 1 1 88 88 LEU HD11 H 1 0.340 0.011 . 2 . . . . 88 LEU HD1# . 6988 1 916 . 1 1 88 88 LEU HD12 H 1 0.340 0.011 . 2 . . . . 88 LEU HD1# . 6988 1 917 . 1 1 88 88 LEU HD13 H 1 0.340 0.011 . 2 . . . . 88 LEU HD1# . 6988 1 918 . 1 1 88 88 LEU HD21 H 1 0.340 0.011 . 2 . . . . 88 LEU HD2# . 6988 1 919 . 1 1 88 88 LEU HD22 H 1 0.340 0.011 . 2 . . . . 88 LEU HD2# . 6988 1 920 . 1 1 88 88 LEU HD23 H 1 0.340 0.011 . 2 . . . . 88 LEU HD2# . 6988 1 921 . 1 1 88 88 LEU C C 13 177.440 0.020 . 1 . . . . 88 LEU C . 6988 1 922 . 1 1 88 88 LEU CA C 13 57.254 0.060 . 1 . . . . 88 LEU CA . 6988 1 923 . 1 1 88 88 LEU CB C 13 41.725 0.061 . 1 . . . . 88 LEU CB . 6988 1 924 . 1 1 88 88 LEU CG C 13 26.069 0.049 . 1 . . . . 88 LEU CG . 6988 1 925 . 1 1 88 88 LEU CD1 C 13 23.296 0.065 . 2 . . . . 88 LEU CD . 6988 1 926 . 1 1 88 88 LEU CD2 C 13 23.296 0.065 . 2 . . . . 88 LEU CD . 6988 1 927 . 1 1 88 88 LEU N N 15 118.169 0.096 . 1 . . . . 88 LEU N . 6988 1 928 . 1 1 89 89 GLN H H 1 8.153 0.002 . 1 . . . . 89 GLN HN . 6988 1 929 . 1 1 89 89 GLN HA H 1 3.911 0.004 . 1 . . . . 89 GLN HA . 6988 1 930 . 1 1 89 89 GLN HB2 H 1 2.071 0.006 . 2 . . . . 89 GLN HB1 . 6988 1 931 . 1 1 89 89 GLN HB3 H 1 2.305 0.008 . 2 . . . . 89 GLN HB2 . 6988 1 932 . 1 1 89 89 GLN HG2 H 1 2.480 0.009 . 2 . . . . 89 GLN HG# . 6988 1 933 . 1 1 89 89 GLN HG3 H 1 2.480 0.009 . 2 . . . . 89 GLN HG# . 6988 1 934 . 1 1 89 89 GLN C C 13 177.671 0.020 . 1 . . . . 89 GLN C . 6988 1 935 . 1 1 89 89 GLN CA C 13 58.754 0.028 . 1 . . . . 89 GLN CA . 6988 1 936 . 1 1 89 89 GLN CB C 13 28.056 0.026 . 1 . . . . 89 GLN CB . 6988 1 937 . 1 1 89 89 GLN CG C 13 33.690 0.080 . 1 . . . . 89 GLN CG . 6988 1 938 . 1 1 89 89 GLN N N 15 118.135 0.034 . 1 . . . . 89 GLN N . 6988 1 939 . 1 1 90 90 ALA H H 1 7.682 0.002 . 1 . . . . 90 ALA HN . 6988 1 940 . 1 1 90 90 ALA HA H 1 4.191 0.005 . 1 . . . . 90 ALA HA . 6988 1 941 . 1 1 90 90 ALA HB1 H 1 1.492 0.009 . 2 . . . . 90 ALA HB# . 6988 1 942 . 1 1 90 90 ALA HB2 H 1 1.492 0.009 . 2 . . . . 90 ALA HB# . 6988 1 943 . 1 1 90 90 ALA HB3 H 1 1.492 0.009 . 2 . . . . 90 ALA HB# . 6988 1 944 . 1 1 90 90 ALA C C 13 177.941 0.020 . 1 . . . . 90 ALA C . 6988 1 945 . 1 1 90 90 ALA CA C 13 54.420 0.063 . 1 . . . . 90 ALA CA . 6988 1 946 . 1 1 90 90 ALA CB C 13 18.460 0.140 . 1 . . . . 90 ALA CB . 6988 1 947 . 1 1 90 90 ALA N N 15 120.568 0.023 . 1 . . . . 90 ALA N . 6988 1 948 . 1 1 91 91 THR H H 1 7.559 0.003 . 1 . . . . 91 THR HN . 6988 1 949 . 1 1 91 91 THR HA H 1 4.511 0.003 . 1 . . . . 91 THR HA . 6988 1 950 . 1 1 91 91 THR HB H 1 4.584 0.003 . 1 . . . . 91 THR HB . 6988 1 951 . 1 1 91 91 THR HG21 H 1 1.006 0.011 . 2 . . . . 91 THR HG# . 6988 1 952 . 1 1 91 91 THR HG22 H 1 1.006 0.011 . 2 . . . . 91 THR HG# . 6988 1 953 . 1 1 91 91 THR HG23 H 1 1.006 0.011 . 2 . . . . 91 THR HG# . 6988 1 954 . 1 1 91 91 THR C C 13 174.714 0.020 . 1 . . . . 91 THR C . 6988 1 955 . 1 1 91 91 THR CA C 13 60.493 0.127 . 1 . . . . 91 THR CA . 6988 1 956 . 1 1 91 91 THR CB C 13 69.756 0.046 . 1 . . . . 91 THR CB . 6988 1 957 . 1 1 91 91 THR CG2 C 13 21.168 0.145 . 1 . . . . 91 THR CG . 6988 1 958 . 1 1 91 91 THR N N 15 105.397 0.022 . 1 . . . . 91 THR N . 6988 1 959 . 1 1 92 92 GLY H H 1 7.497 0.003 . 1 . . . . 92 GLY HN . 6988 1 960 . 1 1 92 92 GLY HA2 H 1 3.883 0.006 . 2 . . . . 92 GLY HA# . 6988 1 961 . 1 1 92 92 GLY HA3 H 1 3.883 0.006 . 2 . . . . 92 GLY HA# . 6988 1 962 . 1 1 92 92 GLY C C 13 174.125 0.020 . 1 . . . . 92 GLY C . 6988 1 963 . 1 1 92 92 GLY CA C 13 47.125 0.072 . 1 . . . . 92 GLY CA . 6988 1 964 . 1 1 92 92 GLY N N 15 112.061 0.038 . 1 . . . . 92 GLY N . 6988 1 965 . 1 1 93 93 GLY H H 1 8.413 0.003 . 1 . . . . 93 GLY HN . 6988 1 966 . 1 1 93 93 GLY HA2 H 1 2.389 0.007 . 2 . . . . 93 GLY HA1 . 6988 1 967 . 1 1 93 93 GLY HA3 H 1 3.617 0.009 . 2 . . . . 93 GLY HA2 . 6988 1 968 . 1 1 93 93 GLY C C 13 170.527 0.020 . 1 . . . . 93 GLY C . 6988 1 969 . 1 1 93 93 GLY CA C 13 45.126 0.027 . 1 . . . . 93 GLY CA . 6988 1 970 . 1 1 93 93 GLY N N 15 105.654 0.026 . 1 . . . . 93 GLY N . 6988 1 971 . 1 1 94 94 ASP H H 1 6.749 0.003 . 1 . . . . 94 ASP HN . 6988 1 972 . 1 1 94 94 ASP HA H 1 4.550 0.007 . 1 . . . . 94 ASP HA . 6988 1 973 . 1 1 94 94 ASP HB2 H 1 2.558 0.007 . 2 . . . . 94 ASP HB1 . 6988 1 974 . 1 1 94 94 ASP HB3 H 1 2.812 0.008 . 2 . . . . 94 ASP HB2 . 6988 1 975 . 1 1 94 94 ASP C C 13 175.085 0.020 . 1 . . . . 94 ASP C . 6988 1 976 . 1 1 94 94 ASP CA C 13 53.399 0.055 . 1 . . . . 94 ASP CA . 6988 1 977 . 1 1 94 94 ASP CB C 13 41.885 0.068 . 1 . . . . 94 ASP CB . 6988 1 978 . 1 1 94 94 ASP N N 15 120.024 0.039 . 1 . . . . 94 ASP N . 6988 1 979 . 1 1 95 95 ILE H H 1 8.525 0.002 . 1 . . . . 95 ILE HN . 6988 1 980 . 1 1 95 95 ILE HA H 1 3.462 0.008 . 1 . . . . 95 ILE HA . 6988 1 981 . 1 1 95 95 ILE HB H 1 1.828 0.005 . 1 . . . . 95 ILE HB . 6988 1 982 . 1 1 95 95 ILE HG12 H 1 1.203 0.010 . 2 . . . . 95 ILE HG11 . 6988 1 983 . 1 1 95 95 ILE HG13 H 1 1.584 0.007 . 2 . . . . 95 ILE HG12 . 6988 1 984 . 1 1 95 95 ILE HG21 H 1 0.873 0.005 . 2 . . . . 95 ILE HG2# . 6988 1 985 . 1 1 95 95 ILE HG22 H 1 0.873 0.005 . 2 . . . . 95 ILE HG2# . 6988 1 986 . 1 1 95 95 ILE HG23 H 1 0.873 0.005 . 2 . . . . 95 ILE HG2# . 6988 1 987 . 1 1 95 95 ILE HD11 H 1 0.845 0.008 . 2 . . . . 95 ILE HD1# . 6988 1 988 . 1 1 95 95 ILE HD12 H 1 0.845 0.008 . 2 . . . . 95 ILE HD1# . 6988 1 989 . 1 1 95 95 ILE HD13 H 1 0.845 0.008 . 2 . . . . 95 ILE HD1# . 6988 1 990 . 1 1 95 95 ILE C C 13 174.836 0.020 . 1 . . . . 95 ILE C . 6988 1 991 . 1 1 95 95 ILE CA C 13 64.722 0.033 . 1 . . . . 95 ILE CA . 6988 1 992 . 1 1 95 95 ILE CB C 13 37.979 0.061 . 1 . . . . 95 ILE CB . 6988 1 993 . 1 1 95 95 ILE CG1 C 13 28.690 0.030 . 1 . . . . 95 ILE CG1 . 6988 1 994 . 1 1 95 95 ILE CG2 C 13 17.238 0.158 . 1 . . . . 95 ILE CG2 . 6988 1 995 . 1 1 95 95 ILE CD1 C 13 13.387 0.050 . 1 . . . . 95 ILE CD1 . 6988 1 996 . 1 1 95 95 ILE N N 15 128.692 0.023 . 1 . . . . 95 ILE N . 6988 1 997 . 1 1 96 96 GLN H H 1 7.996 0.002 . 1 . . . . 96 GLN HN . 6988 1 998 . 1 1 96 96 GLN HA H 1 3.934 0.008 . 1 . . . . 96 GLN HA . 6988 1 999 . 1 1 96 96 GLN HB2 H 1 2.143 0.010 . 2 . . . . 96 GLN HB# . 6988 1 1000 . 1 1 96 96 GLN HB3 H 1 2.143 0.010 . 2 . . . . 96 GLN HB# . 6988 1 1001 . 1 1 96 96 GLN HG2 H 1 2.413 0.005 . 2 . . . . 96 GLN HG# . 6988 1 1002 . 1 1 96 96 GLN HG3 H 1 2.413 0.005 . 2 . . . . 96 GLN HG# . 6988 1 1003 . 1 1 96 96 GLN C C 13 177.397 0.020 . 1 . . . . 96 GLN C . 6988 1 1004 . 1 1 96 96 GLN CA C 13 59.229 0.039 . 1 . . . . 96 GLN CA . 6988 1 1005 . 1 1 96 96 GLN CB C 13 27.815 0.039 . 1 . . . . 96 GLN CB . 6988 1 1006 . 1 1 96 96 GLN CG C 13 33.924 0.001 . 1 . . . . 96 GLN CG . 6988 1 1007 . 1 1 96 96 GLN N N 15 119.414 0.050 . 1 . . . . 96 GLN N . 6988 1 1008 . 1 1 97 97 ALA H H 1 8.082 0.004 . 1 . . . . 97 ALA HN . 6988 1 1009 . 1 1 97 97 ALA HA H 1 4.142 0.006 . 1 . . . . 97 ALA HA . 6988 1 1010 . 1 1 97 97 ALA HB1 H 1 1.391 0.008 . 2 . . . . 97 ALA HB# . 6988 1 1011 . 1 1 97 97 ALA HB2 H 1 1.391 0.008 . 2 . . . . 97 ALA HB# . 6988 1 1012 . 1 1 97 97 ALA HB3 H 1 1.391 0.008 . 2 . . . . 97 ALA HB# . 6988 1 1013 . 1 1 97 97 ALA C C 13 179.299 0.020 . 1 . . . . 97 ALA C . 6988 1 1014 . 1 1 97 97 ALA CA C 13 54.259 0.066 . 1 . . . . 97 ALA CA . 6988 1 1015 . 1 1 97 97 ALA CB C 13 18.256 0.114 . 1 . . . . 97 ALA CB . 6988 1 1016 . 1 1 97 97 ALA N N 15 121.597 0.037 . 1 . . . . 97 ALA N . 6988 1 1017 . 1 1 98 98 ALA H H 1 8.489 0.003 . 1 . . . . 98 ALA HN . 6988 1 1018 . 1 1 98 98 ALA HA H 1 3.791 0.010 . 1 . . . . 98 ALA HA . 6988 1 1019 . 1 1 98 98 ALA HB1 H 1 1.220 0.005 . 2 . . . . 98 ALA HB# . 6988 1 1020 . 1 1 98 98 ALA HB2 H 1 1.220 0.005 . 2 . . . . 98 ALA HB# . 6988 1 1021 . 1 1 98 98 ALA HB3 H 1 1.220 0.005 . 2 . . . . 98 ALA HB# . 6988 1 1022 . 1 1 98 98 ALA C C 13 177.663 0.020 . 1 . . . . 98 ALA C . 6988 1 1023 . 1 1 98 98 ALA CA C 13 55.306 0.050 . 1 . . . . 98 ALA CA . 6988 1 1024 . 1 1 98 98 ALA CB C 13 17.294 0.144 . 1 . . . . 98 ALA CB . 6988 1 1025 . 1 1 98 98 ALA N N 15 122.766 0.060 . 1 . . . . 98 ALA N . 6988 1 1026 . 1 1 99 99 LEU H H 1 8.344 0.004 . 1 . . . . 99 LEU HN . 6988 1 1027 . 1 1 99 99 LEU HA H 1 3.720 0.005 . 1 . . . . 99 LEU HA . 6988 1 1028 . 1 1 99 99 LEU HB2 H 1 1.455 0.009 . 2 . . . . 99 LEU HB1 . 6988 1 1029 . 1 1 99 99 LEU HB3 H 1 1.862 0.007 . 2 . . . . 99 LEU HB2 . 6988 1 1030 . 1 1 99 99 LEU HG H 1 1.667 0.007 . 1 . . . . 99 LEU HG . 6988 1 1031 . 1 1 99 99 LEU HD11 H 1 0.809 0.009 . 2 . . . . 99 LEU HD1# . 6988 1 1032 . 1 1 99 99 LEU HD12 H 1 0.809 0.009 . 2 . . . . 99 LEU HD1# . 6988 1 1033 . 1 1 99 99 LEU HD13 H 1 0.809 0.009 . 2 . . . . 99 LEU HD1# . 6988 1 1034 . 1 1 99 99 LEU HD21 H 1 0.809 0.009 . 2 . . . . 99 LEU HD2# . 6988 1 1035 . 1 1 99 99 LEU HD22 H 1 0.809 0.009 . 2 . . . . 99 LEU HD2# . 6988 1 1036 . 1 1 99 99 LEU HD23 H 1 0.809 0.009 . 2 . . . . 99 LEU HD2# . 6988 1 1037 . 1 1 99 99 LEU C C 13 176.971 0.020 . 1 . . . . 99 LEU C . 6988 1 1038 . 1 1 99 99 LEU CA C 13 58.216 0.069 . 1 . . . . 99 LEU CA . 6988 1 1039 . 1 1 99 99 LEU CB C 13 41.760 0.051 . 1 . . . . 99 LEU CB . 6988 1 1040 . 1 1 99 99 LEU CG C 13 27.002 0.056 . 1 . . . . 99 LEU CG . 6988 1 1041 . 1 1 99 99 LEU CD1 C 13 24.071 0.039 . 2 . . . . 99 LEU CD . 6988 1 1042 . 1 1 99 99 LEU CD2 C 13 24.071 0.039 . 2 . . . . 99 LEU CD . 6988 1 1043 . 1 1 99 99 LEU N N 15 118.679 0.066 . 1 . . . . 99 LEU N . 6988 1 1044 . 1 1 100 100 GLU H H 1 7.416 0.002 . 1 . . . . 100 GLU HN . 6988 1 1045 . 1 1 100 100 GLU HA H 1 4.011 0.006 . 1 . . . . 100 GLU HA . 6988 1 1046 . 1 1 100 100 GLU HB2 H 1 2.075 0.007 . 2 . . . . 100 GLU HB# . 6988 1 1047 . 1 1 100 100 GLU HB3 H 1 2.075 0.007 . 2 . . . . 100 GLU HB# . 6988 1 1048 . 1 1 100 100 GLU HG2 H 1 2.374 0.005 . 2 . . . . 100 GLU HG# . 6988 1 1049 . 1 1 100 100 GLU HG3 H 1 2.374 0.005 . 2 . . . . 100 GLU HG# . 6988 1 1050 . 1 1 100 100 GLU C C 13 177.943 0.020 . 1 . . . . 100 GLU C . 6988 1 1051 . 1 1 100 100 GLU CA C 13 59.529 0.107 . 1 . . . . 100 GLU CA . 6988 1 1052 . 1 1 100 100 GLU CB C 13 29.338 0.064 . 1 . . . . 100 GLU CB . 6988 1 1053 . 1 1 100 100 GLU CG C 13 36.681 0.037 . 1 . . . . 100 GLU CG . 6988 1 1054 . 1 1 100 100 GLU N N 15 116.519 0.043 . 1 . . . . 100 GLU N . 6988 1 1055 . 1 1 101 101 LEU H H 1 7.434 0.002 . 1 . . . . 101 LEU H . 6988 1 1056 . 1 1 101 101 LEU HA H 1 4.121 0.009 . 1 . . . . 101 LEU HA . 6988 1 1057 . 1 1 101 101 LEU HB2 H 1 1.570 0.006 . 2 . . . . 101 LEU HB1 . 6988 1 1058 . 1 1 101 101 LEU HB3 H 1 1.863 0.010 . 2 . . . . 101 LEU HB2 . 6988 1 1059 . 1 1 101 101 LEU HG H 1 1.656 0.002 . 1 . . . . 101 LEU HG . 6988 1 1060 . 1 1 101 101 LEU HD11 H 1 0.856 0.004 . 2 . . . . 101 LEU HD1# . 6988 1 1061 . 1 1 101 101 LEU HD12 H 1 0.856 0.004 . 2 . . . . 101 LEU HD1# . 6988 1 1062 . 1 1 101 101 LEU HD13 H 1 0.856 0.004 . 2 . . . . 101 LEU HD1# . 6988 1 1063 . 1 1 101 101 LEU HD21 H 1 0.811 0.008 . 2 . . . . 101 LEU HD2# . 6988 1 1064 . 1 1 101 101 LEU HD22 H 1 0.811 0.008 . 2 . . . . 101 LEU HD2# . 6988 1 1065 . 1 1 101 101 LEU HD23 H 1 0.811 0.008 . 2 . . . . 101 LEU HD2# . 6988 1 1066 . 1 1 101 101 LEU C C 13 178.295 0.020 . 1 . . . . 101 LEU C . 6988 1 1067 . 1 1 101 101 LEU CA C 13 57.595 0.073 . 1 . . . . 101 LEU CA . 6988 1 1068 . 1 1 101 101 LEU CB C 13 42.329 0.050 . 1 . . . . 101 LEU CB . 6988 1 1069 . 1 1 101 101 LEU CG C 13 26.960 0.065 . 1 . . . . 101 LEU CG . 6988 1 1070 . 1 1 101 101 LEU CD1 C 13 25.606 0.026 . 2 . . . . 101 LEU CD1 . 6988 1 1071 . 1 1 101 101 LEU CD2 C 13 23.895 0.177 . 2 . . . . 101 LEU CD2 . 6988 1 1072 . 1 1 101 101 LEU N N 15 119.121 0.057 . 1 . . . . 101 LEU N . 6988 1 1073 . 1 1 102 102 ILE H H 1 8.277 0.004 . 1 . . . . 102 ILE HN . 6988 1 1074 . 1 1 102 102 ILE HA H 1 3.443 0.006 . 1 . . . . 102 ILE HA . 6988 1 1075 . 1 1 102 102 ILE HB H 1 1.598 0.009 . 1 . . . . 102 ILE HB . 6988 1 1076 . 1 1 102 102 ILE HG12 H 1 0.664 0.006 . 2 . . . . 102 ILE HG11 . 6988 1 1077 . 1 1 102 102 ILE HG13 H 1 1.630 0.006 . 2 . . . . 102 ILE HG12 . 6988 1 1078 . 1 1 102 102 ILE HG21 H 1 0.683 0.004 . 2 . . . . 102 ILE HG2# . 6988 1 1079 . 1 1 102 102 ILE HG22 H 1 0.683 0.004 . 2 . . . . 102 ILE HG2# . 6988 1 1080 . 1 1 102 102 ILE HG23 H 1 0.683 0.004 . 2 . . . . 102 ILE HG2# . 6988 1 1081 . 1 1 102 102 ILE HD11 H 1 0.519 0.010 . 2 . . . . 102 ILE HD1# . 6988 1 1082 . 1 1 102 102 ILE HD12 H 1 0.519 0.010 . 2 . . . . 102 ILE HD1# . 6988 1 1083 . 1 1 102 102 ILE HD13 H 1 0.519 0.010 . 2 . . . . 102 ILE HD1# . 6988 1 1084 . 1 1 102 102 ILE C C 13 177.391 0.020 . 1 . . . . 102 ILE C . 6988 1 1085 . 1 1 102 102 ILE CA C 13 65.556 0.062 . 1 . . . . 102 ILE CA . 6988 1 1086 . 1 1 102 102 ILE CB C 13 38.585 0.096 . 1 . . . . 102 ILE CB . 6988 1 1087 . 1 1 102 102 ILE CG1 C 13 29.604 0.071 . 1 . . . . 102 ILE CG1 . 6988 1 1088 . 1 1 102 102 ILE CG2 C 13 14.655 0.078 . 1 . . . . 102 ILE CG2 . 6988 1 1089 . 1 1 102 102 ILE CD1 C 13 16.532 0.081 . 1 . . . . 102 ILE CD1 . 6988 1 1090 . 1 1 102 102 ILE N N 15 121.171 0.048 . 1 . . . . 102 ILE N . 6988 1 1091 . 1 1 103 103 PHE H H 1 8.370 0.004 . 1 . . . . 103 PHE HN . 6988 1 1092 . 1 1 103 103 PHE HA H 1 4.614 0.008 . 1 . . . . 103 PHE HA . 6988 1 1093 . 1 1 103 103 PHE HB2 H 1 3.010 0.009 . 2 . . . . 103 PHE HB1 . 6988 1 1094 . 1 1 103 103 PHE HB3 H 1 3.292 0.005 . 2 . . . . 103 PHE HB2 . 6988 1 1095 . 1 1 103 103 PHE C C 13 175.583 0.020 . 1 . . . . 103 PHE C . 6988 1 1096 . 1 1 103 103 PHE CA C 13 58.476 0.057 . 1 . . . . 103 PHE CA . 6988 1 1097 . 1 1 103 103 PHE CB C 13 37.969 0.063 . 1 . . . . 103 PHE CB . 6988 1 1098 . 1 1 103 103 PHE N N 15 118.123 0.036 . 1 . . . . 103 PHE N . 6988 1 1099 . 1 1 104 104 ALA H H 1 7.676 0.002 . 1 . . . . 104 ALA HN . 6988 1 1100 . 1 1 104 104 ALA HA H 1 4.373 0.006 . 1 . . . . 104 ALA HA . 6988 1 1101 . 1 1 104 104 ALA HB1 H 1 1.531 0.009 . 2 . . . . 104 ALA HB# . 6988 1 1102 . 1 1 104 104 ALA HB2 H 1 1.531 0.009 . 2 . . . . 104 ALA HB# . 6988 1 1103 . 1 1 104 104 ALA HB3 H 1 1.531 0.009 . 2 . . . . 104 ALA HB# . 6988 1 1104 . 1 1 104 104 ALA C C 13 177.183 0.020 . 1 . . . . 104 ALA C . 6988 1 1105 . 1 1 104 104 ALA CA C 13 53.381 0.060 . 1 . . . . 104 ALA CA . 6988 1 1106 . 1 1 104 104 ALA CB C 13 18.787 0.073 . 1 . . . . 104 ALA CB . 6988 1 1107 . 1 1 104 104 ALA N N 15 122.038 0.031 . 1 . . . . 104 ALA N . 6988 1 1108 . 1 1 105 105 GLY H H 1 8.044 0.004 . 1 . . . . 105 GLY HN . 6988 1 1109 . 1 1 105 105 GLY HA2 H 1 3.949 0.002 . 2 . . . . 105 GLY HA1 . 6988 1 1110 . 1 1 105 105 GLY HA3 H 1 4.064 0.007 . 2 . . . . 105 GLY HA2 . 6988 1 1111 . 1 1 105 105 GLY C C 13 173.309 0.020 . 1 . . . . 105 GLY C . 6988 1 1112 . 1 1 105 105 GLY CA C 13 45.536 0.036 . 1 . . . . 105 GLY CA . 6988 1 1113 . 1 1 105 105 GLY N N 15 106.739 0.052 . 1 . . . . 105 GLY N . 6988 1 1114 . 1 1 106 106 GLY H H 1 8.124 0.001 . 1 . . . . 106 GLY HN . 6988 1 1115 . 1 1 106 106 GLY HA2 H 1 3.922 0.012 . 2 . . . . 106 GLY HA1 . 6988 1 1116 . 1 1 106 106 GLY HA3 H 1 3.949 0.008 . 2 . . . . 106 GLY HA2 . 6988 1 1117 . 1 1 106 106 GLY C C 13 171.431 0.020 . 1 . . . . 106 GLY C . 6988 1 1118 . 1 1 106 106 GLY CA C 13 44.822 0.058 . 1 . . . . 106 GLY CA . 6988 1 1119 . 1 1 106 106 GLY N N 15 108.112 0.028 . 1 . . . . 106 GLY N . 6988 1 1120 . 1 1 107 107 ALA H H 1 8.120 0.002 . 1 . . . . 107 ALA HN . 6988 1 1121 . 1 1 107 107 ALA HA H 1 4.534 0.003 . 1 . . . . 107 ALA HA . 6988 1 1122 . 1 1 107 107 ALA HB1 H 1 1.286 0.006 . 2 . . . . 107 ALA HB# . 6988 1 1123 . 1 1 107 107 ALA HB2 H 1 1.286 0.006 . 2 . . . . 107 ALA HB# . 6988 1 1124 . 1 1 107 107 ALA HB3 H 1 1.286 0.006 . 2 . . . . 107 ALA HB# . 6988 1 1125 . 1 1 107 107 ALA C C 13 172.921 0.020 . 1 . . . . 107 ALA C . 6988 1 1126 . 1 1 107 107 ALA CA C 13 50.245 0.018 . 1 . . . . 107 ALA CA . 6988 1 1127 . 1 1 107 107 ALA CB C 13 18.230 0.067 . 1 . . . . 107 ALA CB . 6988 1 1128 . 1 1 107 107 ALA N N 15 124.725 0.027 . 1 . . . . 107 ALA N . 6988 1 1129 . 1 1 108 108 PRO HA H 1 4.196 0.002 . 1 . . . . 108 PRO HA . 6988 1 1130 . 1 1 108 108 PRO HB2 H 1 1.871 0.007 . 2 . . . . 108 PRO HB1 . 6988 1 1131 . 1 1 108 108 PRO HB3 H 1 2.153 0.006 . 2 . . . . 108 PRO HB2 . 6988 1 1132 . 1 1 108 108 PRO HG2 H 1 1.913 0.003 . 2 . . . . 108 PRO HG# . 6988 1 1133 . 1 1 108 108 PRO HG3 H 1 1.913 0.003 . 2 . . . . 108 PRO HG# . 6988 1 1134 . 1 1 108 108 PRO HD2 H 1 3.521 0.003 . 2 . . . . 108 PRO HD1 . 6988 1 1135 . 1 1 108 108 PRO HD3 H 1 3.627 0.001 . 2 . . . . 108 PRO HD2 . 6988 1 1136 . 1 1 108 108 PRO CA C 13 64.932 0.107 . 1 . . . . 108 PRO CA . 6988 1 1137 . 1 1 108 108 PRO CB C 13 32.006 0.005 . 1 . . . . 108 PRO CB . 6988 1 1138 . 1 1 108 108 PRO CG C 13 27.083 0.002 . 1 . . . . 108 PRO CG . 6988 1 1139 . 1 1 108 108 PRO CD C 13 50.160 0.052 . 1 . . . . 108 PRO CD . 6988 1 stop_ save_