data_17171 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17171 _Entry.Title ; The chemical shift assignment of the SWIRM domain of LSD1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-08 _Entry.Accession_date 2010-09-08 _Entry.Last_release_date 2012-08-01 _Entry.Original_release_date 2012-08-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Changdong LIU . . . 17171 2 'Ka Ching' LO . . . 17171 3 Guang ZHU . . . 17171 4 'Kong Hung' SZE . . . 17171 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17171 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 370 17171 '15N chemical shifts' 89 17171 '1H chemical shifts' 678 17171 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 . . 2012-08-01 2010-09-08 original author . 17171 stop_ save_ ############### # Citations # ############### save_The_chemical_shift_assignment_of_the_SWIRM_domain_of_LSD1 _Citation.Sf_category citations _Citation.Sf_framecode The_chemical_shift_assignment_of_the_SWIRM_domain_of_LSD1 _Citation.Entry_ID 17171 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'The chemical shift assignment of the SWIRM domain of LSD1' _Citation.Status 'in preparation' _Citation.Type 'BMRB only' _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Changdong LIU . . . 17171 1 2 Raymond LUO . . . 17171 1 3 'Kong Hung' SZE . . . 17171 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17171 _Assembly.ID 1 _Assembly.Name SWIRM _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SWIRM 1 $SWIRM A . yes native no no . . . 17171 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SWIRM _Entity.Sf_category entity _Entity.Sf_framecode SWIRM _Entity.Entry_ID 17171 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SWIRM _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 ; GSVEGAAFQSRLPHDRMTSQ EAACFPDIISGPQQTQKVFL FIRNRTLQLWLDNPKIQLTF EATLQQLEAPYNSDTVLVHR VHSYLERHGLINFGIYKRIK PL ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 10011 . "SWIRM domain" . . . . . 99.02 124 99.01 99.01 1.01e-67 . . . . 17171 1 2 no PDB 2COM . "The Solution Structure Of The Swirm Domain Of Human Lsd1" . . . . . 99.02 124 99.01 99.01 1.01e-67 . . . . 17171 1 3 no PDB 2DW4 . "Crystal Structure Of Human Lsd1 At 2.3 A Resolution" . . . . . 99.02 660 99.01 99.01 2.29e-62 . . . . 17171 1 4 no PDB 2EJR . "Lsd1-Tranylcypromine Complex" . . . . . 99.02 662 99.01 99.01 2.25e-62 . . . . 17171 1 5 no PDB 2H94 . "Crystal Structure And Mechanism Of Human Lysine-Specific Demethylase-1" . . . . . 99.02 664 99.01 99.01 2.29e-62 . . . . 17171 1 6 no PDB 2HKO . "Crystal Structure Of Lsd1" . . . . . 99.02 664 99.01 99.01 1.96e-62 . . . . 17171 1 7 no PDB 2IW5 . "Structural Basis For Corest-dependent Demethylation Of Nucleosomes By The Human Lsd1 Histone Demethylase" . . . . . 99.02 666 99.01 99.01 2.71e-62 . . . . 17171 1 8 no PDB 2L3D . "The Solution Structure Of The Short Form Swirm Domain Of Lsd1" . . . . . 100.00 102 100.00 100.00 5.65e-69 . . . . 17171 1 9 no PDB 2UXN . "Structural Basis Of Histone Demethylation By Lsd1 Revealed By Suicide Inactivation" . . . . . 99.02 666 99.01 99.01 2.71e-62 . . . . 17171 1 10 no PDB 2UXX . "Human Lsd1 Histone Demethylase-corest In Complex With An Fad-tranylcypromine Adduct" . . . . . 99.02 666 99.01 99.01 2.71e-62 . . . . 17171 1 11 no PDB 2V1D . "Structural Basis Of Lsd1-Corest Selectivity In Histone H3 Recognition" . . . . . 99.02 730 99.01 99.01 4.50e-62 . . . . 17171 1 12 no PDB 2X0L . "Crystal Structure Of A Neuro-Specific Splicing Variant Of Human Histone Lysine Demethylase Lsd1" . . . . . 99.02 734 99.01 99.01 4.14e-62 . . . . 17171 1 13 no PDB 2XAF . "Crystal Structure Of Lsd1-Corest In Complex With Para-Bromo- (+)-Cis-2-Phenylcyclopropyl-1-Amine" . . . . . 99.02 852 99.01 99.01 3.11e-62 . . . . 17171 1 14 no PDB 2XAG . "Crystal Structure Of Lsd1-Corest In Complex With Para-Bromo- (-)-Trans-2-Phenylcyclopropyl-1-Amine" . . . . . 99.02 852 99.01 99.01 3.11e-62 . . . . 17171 1 15 no PDB 2XAH . "Crystal Structure Of Lsd1-Corest In Complex With (+)- Trans-2-Phenylcyclopropyl-1-Amine" . . . . . 99.02 852 99.01 99.01 3.11e-62 . . . . 17171 1 16 no PDB 2XAJ . "Crystal Structure Of Lsd1-Corest In Complex With (-)-Trans- 2-Phenylcyclopropyl-1-Amine" . . . . . 99.02 852 99.01 99.01 3.11e-62 . . . . 17171 1 17 no PDB 2XAQ . "Crystal Structure Of Lsd1-Corest In Complex With A Tranylcypromine Derivative (Mc2584, 13b)" . . . . . 99.02 852 99.01 99.01 3.11e-62 . . . . 17171 1 18 no PDB 2XAS . "Crystal Structure Of Lsd1-Corest In Complex With A Tranylcypromine Derivative (Mc2580, 14e)" . . . . . 99.02 852 99.01 99.01 3.11e-62 . . . . 17171 1 19 no PDB 2Y48 . "Crystal Structure Of Lsd1-Corest In Complex With A N- Terminal Snail Peptide" . . . . . 99.02 730 99.01 99.01 4.50e-62 . . . . 17171 1 20 no PDB 2Z3Y . "Crystal Structure Of Lysine-Specific Demethylase1" . . . . . 99.02 662 99.01 99.01 2.25e-62 . . . . 17171 1 21 no PDB 2Z5U . "Crystal Structure Of Lysine-specific Histone Demethylase 1" . . . . . 99.02 662 99.01 99.01 2.25e-62 . . . . 17171 1 22 no PDB 3ABT . "Crystal Structure Of Lsd1 In Complex With Trans-2- Pentafluorophenylcyclopropylamine" . . . . . 99.02 662 99.01 99.01 2.25e-62 . . . . 17171 1 23 no PDB 3ABU . "Crystal Structure Of Lsd1 In Complex With A 2-Pcpa Derivative, S1201" . . . . . 99.02 662 99.01 99.01 2.25e-62 . . . . 17171 1 24 no PDB 3ZMS . "Lsd1-corest In Complex With Insm1 Peptide" . . . . . 99.02 872 99.01 99.01 2.79e-62 . . . . 17171 1 25 no PDB 3ZMT . "Lsd1-corest In Complex With Prsflv Peptide" . . . . . 99.02 872 99.01 99.01 2.79e-62 . . . . 17171 1 26 no PDB 3ZMU . "Lsd1-corest In Complex With Pksflv Peptide" . . . . . 99.02 872 99.01 99.01 2.79e-62 . . . . 17171 1 27 no PDB 3ZMV . "Lsd1-corest In Complex With Plsflv Peptide" . . . . . 99.02 872 99.01 99.01 2.79e-62 . . . . 17171 1 28 no PDB 3ZMZ . "Lsd1-corest In Complex With Prsfav Peptide" . . . . . 99.02 872 99.01 99.01 2.79e-62 . . . . 17171 1 29 no PDB 3ZN0 . "Lsd1-corest In Complex With Prsfaa Peptide" . . . . . 99.02 872 99.01 99.01 2.79e-62 . . . . 17171 1 30 no PDB 3ZN1 . "Lsd1-corest In Complex With Prlylv Peptide" . . . . . 99.02 872 99.01 99.01 2.79e-62 . . . . 17171 1 31 no PDB 4BAY . "Phosphomimetic Mutant Of Lsd1-8a Splicing Variant In Complex With Corest" . . . . . 99.02 686 99.01 99.01 3.50e-62 . . . . 17171 1 32 no PDB 4CZZ . "Histone Demethylase Lsd1(kdm1a)-corest3 Complex" . . . . . 99.02 872 99.01 99.01 2.79e-62 . . . . 17171 1 33 no PDB 4KUM . "Structure Of Lsd1-corest-tetrahydrofolate Complex" . . . . . 99.02 666 99.01 99.01 2.71e-62 . . . . 17171 1 34 no PDB 4UV8 . "Lsd1(kdm1a)-corest In Complex With 1-benzyl-tranylcypromine" . . . . . 99.02 872 99.01 99.01 2.79e-62 . . . . 17171 1 35 no PDB 4UV9 . "Lsd1(kdm1a)-corest In Complex With 1-ethyl-tranylcypromine" . . . . . 99.02 872 99.01 99.01 2.79e-62 . . . . 17171 1 36 no PDB 4UVA . "Lsd1(kdm1a)-corest In Complex With 1-methyl-tranylcypromine (1r,2s)" . . . . . 99.02 872 99.01 99.01 2.79e-62 . . . . 17171 1 37 no PDB 4UVB . "Lsd1(kdm1a)-corest In Complex With 1-methyl-tranylcypromine (1s,2r)" . . . . . 99.02 872 99.01 99.01 2.79e-62 . . . . 17171 1 38 no PDB 4UVC . "Lsd1(kdm1a)-corest In Complex With 1-phenyl-tranylcypromine" . . . . . 99.02 872 99.01 99.01 2.79e-62 . . . . 17171 1 39 no PDB 4UXN . "Lsd1(kdm1a)-corest In Complex With Z-pro Derivative Of Mc2580" . . . . . 99.02 852 99.01 99.01 3.11e-62 . . . . 17171 1 40 no DBJ BAA25527 . "KIAA0601 protein [Homo sapiens]" . . . . . 99.02 852 99.01 99.01 3.11e-62 . . . . 17171 1 41 no DBJ BAC97980 . "mKIAA0601 protein [Mus musculus]" . . . . . 99.02 879 99.01 99.01 2.77e-62 . . . . 17171 1 42 no DBJ BAF83017 . "unnamed protein product [Homo sapiens]" . . . . . 99.02 730 99.01 99.01 4.24e-62 . . . . 17171 1 43 no DBJ BAG09773 . "amine oxidase (flavin containing) domain 2 [synthetic construct]" . . . . . 99.02 852 99.01 99.01 3.11e-62 . . . . 17171 1 44 no EMBL CAH90077 . "hypothetical protein [Pongo abelii]" . . . . . 99.02 688 99.01 99.01 2.80e-62 . . . . 17171 1 45 no GB AAH16639 . "AOF2 protein, partial [Homo sapiens]" . . . . . 67.65 648 100.00 100.00 1.88e-38 . . . . 17171 1 46 no GB AAH40194 . "AOF2 protein [Homo sapiens]" . . . . . 99.02 876 99.01 99.01 3.03e-62 . . . . 17171 1 47 no GB AAH48134 . "Amine oxidase (flavin containing) domain 2 [Homo sapiens]" . . . . . 99.02 852 99.01 99.01 3.08e-62 . . . . 17171 1 48 no GB AAH59885 . "Amine oxidase (flavin containing) domain 2 [Mus musculus]" . . . . . 99.02 803 98.02 98.02 7.24e-61 . . . . 17171 1 49 no GB AAI51757 . "AOF2 protein [Bos taurus]" . . . . . 98.04 363 100.00 100.00 2.58e-65 . . . . 17171 1 50 no REF NP_001009999 . "lysine-specific histone demethylase 1A isoform a [Homo sapiens]" . . . . . 99.02 876 99.01 99.01 2.94e-62 . . . . 17171 1 51 no REF NP_001106157 . "lysine-specific histone demethylase 1A [Sus scrofa]" . . . . . 99.02 873 98.02 99.01 8.35e-62 . . . . 17171 1 52 no REF NP_001123570 . "lysine-specific histone demethylase 1A [Rattus norvegicus]" . . . . . 99.02 872 99.01 99.01 2.66e-62 . . . . 17171 1 53 no REF NP_001252568 . "lysine (K)-specific demethylase 1A [Macaca mulatta]" . . . . . 99.02 876 99.01 99.01 2.80e-62 . . . . 17171 1 54 no REF NP_055828 . "lysine-specific histone demethylase 1A isoform b [Homo sapiens]" . . . . . 99.02 852 99.01 99.01 3.11e-62 . . . . 17171 1 55 no SP O60341 . "RecName: Full=Lysine-specific histone demethylase 1A; AltName: Full=BRAF35-HDAC complex protein BHC110; AltName: Full=Flavin-co" . . . . . 99.02 852 99.01 99.01 3.11e-62 . . . . 17171 1 56 no SP Q6ZQ88 . "RecName: Full=Lysine-specific histone demethylase 1A; AltName: Full=BRAF35-HDAC complex protein BHC110; AltName: Full=Flavin-co" . . . . . 99.02 853 99.01 99.01 2.54e-62 . . . . 17171 1 57 no TPG DAA32187 . "TPA: lysine (K)-specific demethylase 1A isoform 1 [Bos taurus]" . . . . . 99.02 877 99.01 99.01 2.50e-62 . . . . 17171 1 58 no TPG DAA32188 . "TPA: lysine (K)-specific demethylase 1A isoform 2 [Bos taurus]" . . . . . 99.02 853 99.01 99.01 2.59e-62 . . . . 17171 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 17171 1 2 . SER . 17171 1 3 . VAL . 17171 1 4 . GLU . 17171 1 5 . GLY . 17171 1 6 . ALA . 17171 1 7 . ALA . 17171 1 8 . PHE . 17171 1 9 . GLN . 17171 1 10 . SER . 17171 1 11 . ARG . 17171 1 12 . LEU . 17171 1 13 . PRO . 17171 1 14 . HIS . 17171 1 15 . ASP . 17171 1 16 . ARG . 17171 1 17 . MET . 17171 1 18 . THR . 17171 1 19 . SER . 17171 1 20 . GLN . 17171 1 21 . GLU . 17171 1 22 . ALA . 17171 1 23 . ALA . 17171 1 24 . CYS . 17171 1 25 . PHE . 17171 1 26 . PRO . 17171 1 27 . ASP . 17171 1 28 . ILE . 17171 1 29 . ILE . 17171 1 30 . SER . 17171 1 31 . GLY . 17171 1 32 . PRO . 17171 1 33 . GLN . 17171 1 34 . GLN . 17171 1 35 . THR . 17171 1 36 . GLN . 17171 1 37 . LYS . 17171 1 38 . VAL . 17171 1 39 . PHE . 17171 1 40 . LEU . 17171 1 41 . PHE . 17171 1 42 . ILE . 17171 1 43 . ARG . 17171 1 44 . ASN . 17171 1 45 . ARG . 17171 1 46 . THR . 17171 1 47 . LEU . 17171 1 48 . GLN . 17171 1 49 . LEU . 17171 1 50 . TRP . 17171 1 51 . LEU . 17171 1 52 . ASP . 17171 1 53 . ASN . 17171 1 54 . PRO . 17171 1 55 . LYS . 17171 1 56 . ILE . 17171 1 57 . GLN . 17171 1 58 . LEU . 17171 1 59 . THR . 17171 1 60 . PHE . 17171 1 61 . GLU . 17171 1 62 . ALA . 17171 1 63 . THR . 17171 1 64 . LEU . 17171 1 65 . GLN . 17171 1 66 . GLN . 17171 1 67 . LEU . 17171 1 68 . GLU . 17171 1 69 . ALA . 17171 1 70 . PRO . 17171 1 71 . TYR . 17171 1 72 . ASN . 17171 1 73 . SER . 17171 1 74 . ASP . 17171 1 75 . THR . 17171 1 76 . VAL . 17171 1 77 . LEU . 17171 1 78 . VAL . 17171 1 79 . HIS . 17171 1 80 . ARG . 17171 1 81 . VAL . 17171 1 82 . HIS . 17171 1 83 . SER . 17171 1 84 . TYR . 17171 1 85 . LEU . 17171 1 86 . GLU . 17171 1 87 . ARG . 17171 1 88 . HIS . 17171 1 89 . GLY . 17171 1 90 . LEU . 17171 1 91 . ILE . 17171 1 92 . ASN . 17171 1 93 . PHE . 17171 1 94 . GLY . 17171 1 95 . ILE . 17171 1 96 . TYR . 17171 1 97 . LYS . 17171 1 98 . ARG . 17171 1 99 . ILE . 17171 1 100 . LYS . 17171 1 101 . PRO . 17171 1 102 . LEU . 17171 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17171 1 . SER 2 2 17171 1 . VAL 3 3 17171 1 . GLU 4 4 17171 1 . GLY 5 5 17171 1 . ALA 6 6 17171 1 . ALA 7 7 17171 1 . PHE 8 8 17171 1 . GLN 9 9 17171 1 . SER 10 10 17171 1 . ARG 11 11 17171 1 . LEU 12 12 17171 1 . PRO 13 13 17171 1 . HIS 14 14 17171 1 . ASP 15 15 17171 1 . ARG 16 16 17171 1 . MET 17 17 17171 1 . THR 18 18 17171 1 . SER 19 19 17171 1 . GLN 20 20 17171 1 . GLU 21 21 17171 1 . ALA 22 22 17171 1 . ALA 23 23 17171 1 . CYS 24 24 17171 1 . PHE 25 25 17171 1 . PRO 26 26 17171 1 . ASP 27 27 17171 1 . ILE 28 28 17171 1 . ILE 29 29 17171 1 . SER 30 30 17171 1 . GLY 31 31 17171 1 . PRO 32 32 17171 1 . GLN 33 33 17171 1 . GLN 34 34 17171 1 . THR 35 35 17171 1 . GLN 36 36 17171 1 . LYS 37 37 17171 1 . VAL 38 38 17171 1 . PHE 39 39 17171 1 . LEU 40 40 17171 1 . PHE 41 41 17171 1 . ILE 42 42 17171 1 . ARG 43 43 17171 1 . ASN 44 44 17171 1 . ARG 45 45 17171 1 . THR 46 46 17171 1 . LEU 47 47 17171 1 . GLN 48 48 17171 1 . LEU 49 49 17171 1 . TRP 50 50 17171 1 . LEU 51 51 17171 1 . ASP 52 52 17171 1 . ASN 53 53 17171 1 . PRO 54 54 17171 1 . LYS 55 55 17171 1 . ILE 56 56 17171 1 . GLN 57 57 17171 1 . LEU 58 58 17171 1 . THR 59 59 17171 1 . PHE 60 60 17171 1 . GLU 61 61 17171 1 . ALA 62 62 17171 1 . THR 63 63 17171 1 . LEU 64 64 17171 1 . GLN 65 65 17171 1 . GLN 66 66 17171 1 . LEU 67 67 17171 1 . GLU 68 68 17171 1 . ALA 69 69 17171 1 . PRO 70 70 17171 1 . TYR 71 71 17171 1 . ASN 72 72 17171 1 . SER 73 73 17171 1 . ASP 74 74 17171 1 . THR 75 75 17171 1 . VAL 76 76 17171 1 . LEU 77 77 17171 1 . VAL 78 78 17171 1 . HIS 79 79 17171 1 . ARG 80 80 17171 1 . VAL 81 81 17171 1 . HIS 82 82 17171 1 . SER 83 83 17171 1 . TYR 84 84 17171 1 . LEU 85 85 17171 1 . GLU 86 86 17171 1 . ARG 87 87 17171 1 . HIS 88 88 17171 1 . GLY 89 89 17171 1 . LEU 90 90 17171 1 . ILE 91 91 17171 1 . ASN 92 92 17171 1 . PHE 93 93 17171 1 . GLY 94 94 17171 1 . ILE 95 95 17171 1 . TYR 96 96 17171 1 . LYS 97 97 17171 1 . ARG 98 98 17171 1 . ILE 99 99 17171 1 . LYS 100 100 17171 1 . PRO 101 101 17171 1 . LEU 102 102 17171 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 17171 _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 $SWIRM . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17171 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 17171 _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 $SWIRM . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pGex-4T . . . . . . 17171 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17171 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SWIRM '[U-100% 13C; U-100% 15N]' . . 1 $SWIRM . . 0.8 . . mM . . . . 17171 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17171 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17171 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17171 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 17171 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17171 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17171 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17171 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SWIRM 'natural abundance' . . 1 $SWIRM . . 0.8 . . mM . . . . 17171 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17171 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17171 2 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17171 2 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 17171 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17171 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17171 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 17171 1 pH 6.5 . pH 17171 1 pressure 1 . atm 17171 1 temperature 298 . K 17171 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17171 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17171 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17171 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17171 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17171 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17171 2 'peak picking' 17171 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17171 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17171 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17171 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 17171 _Software.ID 4 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 17171 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17171 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17171 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17171 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17171 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 500 . . . 17171 1 2 spectrometer_2 Varian INOVA . 750 . . . 17171 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17171 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17171 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17171 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17171 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17171 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17171 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17171 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17171 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17171 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17171 1 10 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17171 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17171 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17171 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17171 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17171 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17171 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17171 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17171 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17171 1 2 '2D 1H-13C HSQC' . . . 17171 1 9 '3D HCCH-TOCSY' . . . 17171 1 10 '3D HCCH-COSY' . . . 17171 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 VAL H H 1 8.181 0.020 . 1 . . . . 3 VAL H . 17171 1 2 . 1 1 3 3 VAL HA H 1 4.111 0.020 . 1 . . . . 3 VAL HA . 17171 1 3 . 1 1 3 3 VAL HB H 1 2.027 0.020 . 1 . . . . 3 VAL HB . 17171 1 4 . 1 1 3 3 VAL HG11 H 1 0.893 0.020 . 2 . . . . 3 VAL HG1 . 17171 1 5 . 1 1 3 3 VAL HG12 H 1 0.893 0.020 . 2 . . . . 3 VAL HG1 . 17171 1 6 . 1 1 3 3 VAL HG13 H 1 0.893 0.020 . 2 . . . . 3 VAL HG1 . 17171 1 7 . 1 1 3 3 VAL HG21 H 1 0.893 0.020 . 2 . . . . 3 VAL HG2 . 17171 1 8 . 1 1 3 3 VAL HG22 H 1 0.893 0.020 . 2 . . . . 3 VAL HG2 . 17171 1 9 . 1 1 3 3 VAL HG23 H 1 0.893 0.020 . 2 . . . . 3 VAL HG2 . 17171 1 10 . 1 1 3 3 VAL C C 13 176.059 0.400 . 1 . . . . 3 VAL C . 17171 1 11 . 1 1 3 3 VAL CA C 13 62.512 0.400 . 1 . . . . 3 VAL CA . 17171 1 12 . 1 1 3 3 VAL CB C 13 32.799 0.400 . 1 . . . . 3 VAL CB . 17171 1 13 . 1 1 3 3 VAL CG1 C 13 21.303 0.400 . 1 . . . . 3 VAL CG1 . 17171 1 14 . 1 1 3 3 VAL CG2 C 13 20.640 0.400 . 1 . . . . 3 VAL CG2 . 17171 1 15 . 1 1 3 3 VAL N N 15 121.605 0.400 . 1 . . . . 3 VAL N . 17171 1 16 . 1 1 4 4 GLU H H 1 8.544 0.020 . 1 . . . . 4 GLU H . 17171 1 17 . 1 1 4 4 GLU HA H 1 4.222 0.020 . 1 . . . . 4 GLU HA . 17171 1 18 . 1 1 4 4 GLU HB2 H 1 1.920 0.020 . 2 . . . . 4 GLU HB2 . 17171 1 19 . 1 1 4 4 GLU HB3 H 1 2.001 0.020 . 2 . . . . 4 GLU HB3 . 17171 1 20 . 1 1 4 4 GLU HG2 H 1 2.218 0.020 . 2 . . . . 4 GLU HG2 . 17171 1 21 . 1 1 4 4 GLU HG3 H 1 2.218 0.020 . 2 . . . . 4 GLU HG3 . 17171 1 22 . 1 1 4 4 GLU C C 13 177.037 0.400 . 1 . . . . 4 GLU C . 17171 1 23 . 1 1 4 4 GLU CA C 13 57.039 0.400 . 1 . . . . 4 GLU CA . 17171 1 24 . 1 1 4 4 GLU CB C 13 30.328 0.400 . 1 . . . . 4 GLU CB . 17171 1 25 . 1 1 4 4 GLU CG C 13 36.329 0.400 . 1 . . . . 4 GLU CG . 17171 1 26 . 1 1 4 4 GLU N N 15 124.788 0.400 . 1 . . . . 4 GLU N . 17171 1 27 . 1 1 5 5 GLY H H 1 8.426 0.020 . 1 . . . . 5 GLY H . 17171 1 28 . 1 1 5 5 GLY HA2 H 1 3.889 0.020 . 2 . . . . 5 GLY HA2 . 17171 1 29 . 1 1 5 5 GLY HA3 H 1 3.935 0.020 . 2 . . . . 5 GLY HA3 . 17171 1 30 . 1 1 5 5 GLY C C 13 174.149 0.400 . 1 . . . . 5 GLY C . 17171 1 31 . 1 1 5 5 GLY CA C 13 45.491 0.400 . 1 . . . . 5 GLY CA . 17171 1 32 . 1 1 5 5 GLY N N 15 110.097 0.400 . 1 . . . . 5 GLY N . 17171 1 33 . 1 1 6 6 ALA H H 1 8.078 0.020 . 1 . . . . 6 ALA H . 17171 1 34 . 1 1 6 6 ALA HA H 1 4.231 0.020 . 1 . . . . 6 ALA HA . 17171 1 35 . 1 1 6 6 ALA HB1 H 1 1.316 0.020 . 1 . . . . 6 ALA HB . 17171 1 36 . 1 1 6 6 ALA HB2 H 1 1.316 0.020 . 1 . . . . 6 ALA HB . 17171 1 37 . 1 1 6 6 ALA HB3 H 1 1.316 0.020 . 1 . . . . 6 ALA HB . 17171 1 38 . 1 1 6 6 ALA C C 13 177.841 0.400 . 1 . . . . 6 ALA C . 17171 1 39 . 1 1 6 6 ALA CA C 13 52.814 0.400 . 1 . . . . 6 ALA CA . 17171 1 40 . 1 1 6 6 ALA CB C 13 19.373 0.400 . 1 . . . . 6 ALA CB . 17171 1 41 . 1 1 6 6 ALA N N 15 123.624 0.400 . 1 . . . . 6 ALA N . 17171 1 42 . 1 1 7 7 ALA H H 1 8.183 0.020 . 1 . . . . 7 ALA H . 17171 1 43 . 1 1 7 7 ALA HA H 1 4.198 0.020 . 1 . . . . 7 ALA HA . 17171 1 44 . 1 1 7 7 ALA HB1 H 1 1.260 0.020 . 1 . . . . 7 ALA HB . 17171 1 45 . 1 1 7 7 ALA HB2 H 1 1.260 0.020 . 1 . . . . 7 ALA HB . 17171 1 46 . 1 1 7 7 ALA HB3 H 1 1.260 0.020 . 1 . . . . 7 ALA HB . 17171 1 47 . 1 1 7 7 ALA C C 13 177.809 0.400 . 1 . . . . 7 ALA C . 17171 1 48 . 1 1 7 7 ALA CA C 13 52.891 0.400 . 1 . . . . 7 ALA CA . 17171 1 49 . 1 1 7 7 ALA CB C 13 18.927 0.400 . 1 . . . . 7 ALA CB . 17171 1 50 . 1 1 7 7 ALA N N 15 122.325 0.400 . 1 . . . . 7 ALA N . 17171 1 51 . 1 1 8 8 PHE H H 1 8.029 0.020 . 1 . . . . 8 PHE H . 17171 1 52 . 1 1 8 8 PHE HA H 1 4.534 0.020 . 1 . . . . 8 PHE HA . 17171 1 53 . 1 1 8 8 PHE HB2 H 1 3.040 0.020 . 2 . . . . 8 PHE HB2 . 17171 1 54 . 1 1 8 8 PHE HB3 H 1 3.118 0.020 . 2 . . . . 8 PHE HB3 . 17171 1 55 . 1 1 8 8 PHE HD1 H 1 7.212 0.020 . 1 . . . . 8 PHE HD1 . 17171 1 56 . 1 1 8 8 PHE HD2 H 1 7.212 0.020 . 1 . . . . 8 PHE HD2 . 17171 1 57 . 1 1 8 8 PHE C C 13 176.015 0.400 . 1 . . . . 8 PHE C . 17171 1 58 . 1 1 8 8 PHE CA C 13 58.100 0.400 . 1 . . . . 8 PHE CA . 17171 1 59 . 1 1 8 8 PHE CB C 13 39.438 0.400 . 1 . . . . 8 PHE CB . 17171 1 60 . 1 1 8 8 PHE N N 15 118.678 0.400 . 1 . . . . 8 PHE N . 17171 1 61 . 1 1 9 9 GLN H H 1 8.185 0.020 . 1 . . . . 9 GLN H . 17171 1 62 . 1 1 9 9 GLN HA H 1 4.284 0.020 . 1 . . . . 9 GLN HA . 17171 1 63 . 1 1 9 9 GLN HB2 H 1 1.962 0.020 . 2 . . . . 9 GLN HB2 . 17171 1 64 . 1 1 9 9 GLN HB3 H 1 2.064 0.020 . 2 . . . . 9 GLN HB3 . 17171 1 65 . 1 1 9 9 GLN HG2 H 1 2.292 0.020 . 2 . . . . 9 GLN HG2 . 17171 1 66 . 1 1 9 9 GLN HG3 H 1 2.292 0.020 . 2 . . . . 9 GLN HG3 . 17171 1 67 . 1 1 9 9 GLN C C 13 175.695 0.400 . 1 . . . . 9 GLN C . 17171 1 68 . 1 1 9 9 GLN CA C 13 56.052 0.400 . 1 . . . . 9 GLN CA . 17171 1 69 . 1 1 9 9 GLN CB C 13 29.539 0.400 . 1 . . . . 9 GLN CB . 17171 1 70 . 1 1 9 9 GLN CG C 13 33.784 0.400 . 1 . . . . 9 GLN CG . 17171 1 71 . 1 1 9 9 GLN N N 15 121.072 0.400 . 1 . . . . 9 GLN N . 17171 1 72 . 1 1 10 10 SER H H 1 8.181 0.020 . 1 . . . . 10 SER H . 17171 1 73 . 1 1 10 10 SER HA H 1 4.403 0.020 . 1 . . . . 10 SER HA . 17171 1 74 . 1 1 10 10 SER HB2 H 1 3.876 0.020 . 2 . . . . 10 SER HB2 . 17171 1 75 . 1 1 10 10 SER HB3 H 1 3.876 0.020 . 2 . . . . 10 SER HB3 . 17171 1 76 . 1 1 10 10 SER C C 13 174.169 0.400 . 1 . . . . 10 SER C . 17171 1 77 . 1 1 10 10 SER CA C 13 58.462 0.400 . 1 . . . . 10 SER CA . 17171 1 78 . 1 1 10 10 SER CB C 13 63.930 0.400 . 1 . . . . 10 SER CB . 17171 1 79 . 1 1 10 10 SER N N 15 116.384 0.400 . 1 . . . . 10 SER N . 17171 1 80 . 1 1 11 11 ARG H H 1 8.240 0.020 . 1 . . . . 11 ARG H . 17171 1 81 . 1 1 11 11 ARG HA H 1 4.357 0.020 . 1 . . . . 11 ARG HA . 17171 1 82 . 1 1 11 11 ARG HB2 H 1 1.757 0.020 . 2 . . . . 11 ARG HB2 . 17171 1 83 . 1 1 11 11 ARG HB3 H 1 1.868 0.020 . 2 . . . . 11 ARG HB3 . 17171 1 84 . 1 1 11 11 ARG HD2 H 1 3.178 0.020 . 2 . . . . 11 ARG HD2 . 17171 1 85 . 1 1 11 11 ARG HD3 H 1 3.178 0.020 . 2 . . . . 11 ARG HD3 . 17171 1 86 . 1 1 11 11 ARG HG2 H 1 2.321 0.020 . 2 . . . . 11 ARG HG2 . 17171 1 87 . 1 1 11 11 ARG HG3 H 1 1.921 0.020 . 2 . . . . 11 ARG HG3 . 17171 1 88 . 1 1 11 11 ARG C C 13 175.941 0.400 . 1 . . . . 11 ARG C . 17171 1 89 . 1 1 11 11 ARG CA C 13 56.076 0.400 . 1 . . . . 11 ARG CA . 17171 1 90 . 1 1 11 11 ARG CB C 13 30.748 0.400 . 1 . . . . 11 ARG CB . 17171 1 91 . 1 1 11 11 ARG CD C 13 43.408 0.400 . 1 . . . . 11 ARG CD . 17171 1 92 . 1 1 11 11 ARG CG C 13 27.150 0.400 . 1 . . . . 11 ARG CG . 17171 1 93 . 1 1 11 11 ARG N N 15 121.750 0.400 . 1 . . . . 11 ARG N . 17171 1 94 . 1 1 12 12 LEU H H 1 8.196 0.020 . 1 . . . . 12 LEU H . 17171 1 95 . 1 1 12 12 LEU HA H 1 4.620 0.020 . 1 . . . . 12 LEU HA . 17171 1 96 . 1 1 12 12 LEU HB2 H 1 1.339 0.020 . 2 . . . . 12 LEU HB2 . 17171 1 97 . 1 1 12 12 LEU HB3 H 1 1.452 0.020 . 2 . . . . 12 LEU HB3 . 17171 1 98 . 1 1 12 12 LEU HD11 H 1 0.887 0.020 . 2 . . . . 12 LEU HD1 . 17171 1 99 . 1 1 12 12 LEU HD12 H 1 0.887 0.020 . 2 . . . . 12 LEU HD1 . 17171 1 100 . 1 1 12 12 LEU HD13 H 1 0.887 0.020 . 2 . . . . 12 LEU HD1 . 17171 1 101 . 1 1 12 12 LEU HG H 1 1.629 0.020 . 1 . . . . 12 LEU HG . 17171 1 102 . 1 1 12 12 LEU CA C 13 52.783 0.400 . 1 . . . . 12 LEU CA . 17171 1 103 . 1 1 12 12 LEU CB C 13 41.591 0.400 . 1 . . . . 12 LEU CB . 17171 1 104 . 1 1 12 12 LEU CD1 C 13 24.208 0.400 . 1 . . . . 12 LEU CD1 . 17171 1 105 . 1 1 12 12 LEU N N 15 123.464 0.400 . 1 . . . . 12 LEU N . 17171 1 106 . 1 1 13 13 PRO HA H 1 4.505 0.020 . 1 . . . . 13 PRO HA . 17171 1 107 . 1 1 13 13 PRO HB2 H 1 2.058 0.020 . 2 . . . . 13 PRO HB2 . 17171 1 108 . 1 1 13 13 PRO HB3 H 1 2.248 0.020 . 2 . . . . 13 PRO HB3 . 17171 1 109 . 1 1 13 13 PRO HD2 H 1 3.464 0.020 . 2 . . . . 13 PRO HD2 . 17171 1 110 . 1 1 13 13 PRO HD3 H 1 3.784 0.020 . 2 . . . . 13 PRO HD3 . 17171 1 111 . 1 1 13 13 PRO HG2 H 1 1.909 0.020 . 2 . . . . 13 PRO HG2 . 17171 1 112 . 1 1 13 13 PRO HG3 H 1 2.317 0.020 . 2 . . . . 13 PRO HG3 . 17171 1 113 . 1 1 13 13 PRO CA C 13 62.663 0.400 . 1 . . . . 13 PRO CA . 17171 1 114 . 1 1 13 13 PRO CB C 13 31.900 0.400 . 1 . . . . 13 PRO CB . 17171 1 115 . 1 1 13 13 PRO CD C 13 50.470 0.400 . 1 . . . . 13 PRO CD . 17171 1 116 . 1 1 13 13 PRO CG C 13 27.320 0.400 . 1 . . . . 13 PRO CG . 17171 1 117 . 1 1 14 14 HIS H H 1 8.925 0.020 . 1 . . . . 14 HIS H . 17171 1 118 . 1 1 14 14 HIS HA H 1 4.138 0.020 . 1 . . . . 14 HIS HA . 17171 1 119 . 1 1 14 14 HIS HB2 H 1 3.055 0.020 . 2 . . . . 14 HIS HB2 . 17171 1 120 . 1 1 14 14 HIS HB3 H 1 3.190 0.020 . 2 . . . . 14 HIS HB3 . 17171 1 121 . 1 1 14 14 HIS HD2 H 1 7.306 0.020 . 1 . . . . 14 HIS HD2 . 17171 1 122 . 1 1 14 14 HIS HE1 H 1 7.397 0.020 . 1 . . . . 14 HIS HE1 . 17171 1 123 . 1 1 14 14 HIS C C 13 175.871 0.400 . 1 . . . . 14 HIS C . 17171 1 124 . 1 1 14 14 HIS CA C 13 59.233 0.400 . 1 . . . . 14 HIS CA . 17171 1 125 . 1 1 14 14 HIS CB C 13 30.315 0.400 . 1 . . . . 14 HIS CB . 17171 1 126 . 1 1 15 15 ASP H H 1 8.389 0.020 . 1 . . . . 15 ASP H . 17171 1 127 . 1 1 15 15 ASP HA H 1 4.558 0.020 . 1 . . . . 15 ASP HA . 17171 1 128 . 1 1 15 15 ASP HB2 H 1 2.277 0.020 . 2 . . . . 15 ASP HB2 . 17171 1 129 . 1 1 15 15 ASP HB3 H 1 2.717 0.020 . 2 . . . . 15 ASP HB3 . 17171 1 130 . 1 1 15 15 ASP C C 13 175.015 0.400 . 1 . . . . 15 ASP C . 17171 1 131 . 1 1 15 15 ASP CA C 13 53.014 0.400 . 1 . . . . 15 ASP CA . 17171 1 132 . 1 1 15 15 ASP CB C 13 41.184 0.400 . 1 . . . . 15 ASP CB . 17171 1 133 . 1 1 15 15 ASP N N 15 113.238 0.400 . 1 . . . . 15 ASP N . 17171 1 134 . 1 1 16 16 ARG H H 1 7.181 0.020 . 1 . . . . 16 ARG H . 17171 1 135 . 1 1 16 16 ARG HA H 1 4.520 0.020 . 1 . . . . 16 ARG HA . 17171 1 136 . 1 1 16 16 ARG HB2 H 1 1.589 0.020 . 2 . . . . 16 ARG HB2 . 17171 1 137 . 1 1 16 16 ARG HB3 H 1 1.734 0.020 . 2 . . . . 16 ARG HB3 . 17171 1 138 . 1 1 16 16 ARG HD2 H 1 3.121 0.020 . 2 . . . . 16 ARG HD2 . 17171 1 139 . 1 1 16 16 ARG HD3 H 1 3.121 0.020 . 2 . . . . 16 ARG HD3 . 17171 1 140 . 1 1 16 16 ARG HG2 H 1 1.382 0.020 . 2 . . . . 16 ARG HG2 . 17171 1 141 . 1 1 16 16 ARG HG3 H 1 1.507 0.020 . 2 . . . . 16 ARG HG3 . 17171 1 142 . 1 1 16 16 ARG C C 13 173.754 0.400 . 1 . . . . 16 ARG C . 17171 1 143 . 1 1 16 16 ARG CA C 13 54.860 0.400 . 1 . . . . 16 ARG CA . 17171 1 144 . 1 1 16 16 ARG CB C 13 33.198 0.400 . 1 . . . . 16 ARG CB . 17171 1 145 . 1 1 16 16 ARG CD C 13 43.380 0.400 . 1 . . . . 16 ARG CD . 17171 1 146 . 1 1 16 16 ARG CG C 13 26.090 0.400 . 1 . . . . 16 ARG CG . 17171 1 147 . 1 1 16 16 ARG N N 15 116.694 0.400 . 1 . . . . 16 ARG N . 17171 1 148 . 1 1 17 17 MET H H 1 8.487 0.020 . 1 . . . . 17 MET H . 17171 1 149 . 1 1 17 17 MET HA H 1 4.513 0.020 . 1 . . . . 17 MET HA . 17171 1 150 . 1 1 17 17 MET HB2 H 1 2.010 0.020 . 2 . . . . 17 MET HB2 . 17171 1 151 . 1 1 17 17 MET HB3 H 1 1.598 0.020 . 2 . . . . 17 MET HB3 . 17171 1 152 . 1 1 17 17 MET HE1 H 1 0.679 0.020 . 1 . . . . 17 MET HE . 17171 1 153 . 1 1 17 17 MET HE2 H 1 0.679 0.020 . 1 . . . . 17 MET HE . 17171 1 154 . 1 1 17 17 MET HE3 H 1 0.679 0.020 . 1 . . . . 17 MET HE . 17171 1 155 . 1 1 17 17 MET HG2 H 1 2.267 0.020 . 2 . . . . 17 MET HG2 . 17171 1 156 . 1 1 17 17 MET HG3 H 1 2.415 0.020 . 2 . . . . 17 MET HG3 . 17171 1 157 . 1 1 17 17 MET C C 13 177.666 0.400 . 1 . . . . 17 MET C . 17171 1 158 . 1 1 17 17 MET CA C 13 55.952 0.400 . 1 . . . . 17 MET CA . 17171 1 159 . 1 1 17 17 MET CB C 13 34.056 0.400 . 1 . . . . 17 MET CB . 17171 1 160 . 1 1 17 17 MET CG C 13 32.723 0.400 . 1 . . . . 17 MET CG . 17171 1 161 . 1 1 17 17 MET N N 15 119.539 0.400 . 1 . . . . 17 MET N . 17171 1 162 . 1 1 18 18 THR H H 1 9.328 0.020 . 1 . . . . 18 THR H . 17171 1 163 . 1 1 18 18 THR HA H 1 4.438 0.020 . 1 . . . . 18 THR HA . 17171 1 164 . 1 1 18 18 THR HB H 1 4.846 0.020 . 1 . . . . 18 THR HB . 17171 1 165 . 1 1 18 18 THR HG21 H 1 1.341 0.020 . 1 . . . . 18 THR HG2 . 17171 1 166 . 1 1 18 18 THR HG22 H 1 1.341 0.020 . 1 . . . . 18 THR HG2 . 17171 1 167 . 1 1 18 18 THR HG23 H 1 1.341 0.020 . 1 . . . . 18 THR HG2 . 17171 1 168 . 1 1 18 18 THR CA C 13 60.673 0.400 . 1 . . . . 18 THR CA . 17171 1 169 . 1 1 18 18 THR CB C 13 71.445 0.400 . 1 . . . . 18 THR CB . 17171 1 170 . 1 1 18 18 THR CG2 C 13 22.693 0.400 . 1 . . . . 18 THR CG2 . 17171 1 171 . 1 1 18 18 THR N N 15 114.776 0.400 . 1 . . . . 18 THR N . 17171 1 172 . 1 1 19 19 SER HA H 1 4.157 0.020 . 1 . . . . 19 SER HA . 17171 1 173 . 1 1 19 19 SER HB2 H 1 3.923 0.020 . 2 . . . . 19 SER HB2 . 17171 1 174 . 1 1 19 19 SER HB3 H 1 4.152 0.020 . 2 . . . . 19 SER HB3 . 17171 1 175 . 1 1 19 19 SER C C 13 177.672 0.400 . 1 . . . . 19 SER C . 17171 1 176 . 1 1 19 19 SER CB C 13 61.936 0.400 . 1 . . . . 19 SER CB . 17171 1 177 . 1 1 20 20 GLN H H 1 8.343 0.020 . 1 . . . . 20 GLN H . 17171 1 178 . 1 1 20 20 GLN HA H 1 4.173 0.020 . 1 . . . . 20 GLN HA . 17171 1 179 . 1 1 20 20 GLN HB2 H 1 2.043 0.020 . 2 . . . . 20 GLN HB2 . 17171 1 180 . 1 1 20 20 GLN HB3 H 1 2.134 0.020 . 2 . . . . 20 GLN HB3 . 17171 1 181 . 1 1 20 20 GLN HG2 H 1 2.373 0.020 . 2 . . . . 20 GLN HG2 . 17171 1 182 . 1 1 20 20 GLN HG3 H 1 2.417 0.020 . 2 . . . . 20 GLN HG3 . 17171 1 183 . 1 1 20 20 GLN C C 13 178.769 0.400 . 1 . . . . 20 GLN C . 17171 1 184 . 1 1 20 20 GLN CA C 13 59.275 0.400 . 1 . . . . 20 GLN CA . 17171 1 185 . 1 1 20 20 GLN CB C 13 28.992 0.400 . 1 . . . . 20 GLN CB . 17171 1 186 . 1 1 20 20 GLN CG C 13 34.681 0.400 . 1 . . . . 20 GLN CG . 17171 1 187 . 1 1 20 20 GLN N N 15 122.827 0.400 . 1 . . . . 20 GLN N . 17171 1 188 . 1 1 21 21 GLU H H 1 7.730 0.020 . 1 . . . . 21 GLU H . 17171 1 189 . 1 1 21 21 GLU HA H 1 3.483 0.020 . 1 . . . . 21 GLU HA . 17171 1 190 . 1 1 21 21 GLU HB2 H 1 1.862 0.020 . 2 . . . . 21 GLU HB2 . 17171 1 191 . 1 1 21 21 GLU HB3 H 1 1.862 0.020 . 2 . . . . 21 GLU HB3 . 17171 1 192 . 1 1 21 21 GLU HG2 H 1 2.458 0.020 . 2 . . . . 21 GLU HG2 . 17171 1 193 . 1 1 21 21 GLU HG3 H 1 2.292 0.020 . 2 . . . . 21 GLU HG3 . 17171 1 194 . 1 1 21 21 GLU C C 13 178.632 0.400 . 1 . . . . 21 GLU C . 17171 1 195 . 1 1 21 21 GLU CA C 13 59.505 0.400 . 1 . . . . 21 GLU CA . 17171 1 196 . 1 1 21 21 GLU CB C 13 29.373 0.400 . 1 . . . . 21 GLU CB . 17171 1 197 . 1 1 21 21 GLU CG C 13 37.632 0.400 . 1 . . . . 21 GLU CG . 17171 1 198 . 1 1 21 21 GLU N N 15 120.708 0.400 . 1 . . . . 21 GLU N . 17171 1 199 . 1 1 22 22 ALA H H 1 8.579 0.020 . 1 . . . . 22 ALA H . 17171 1 200 . 1 1 22 22 ALA HA H 1 3.589 0.020 . 1 . . . . 22 ALA HA . 17171 1 201 . 1 1 22 22 ALA HB1 H 1 1.381 0.020 . 1 . . . . 22 ALA HB . 17171 1 202 . 1 1 22 22 ALA HB2 H 1 1.381 0.020 . 1 . . . . 22 ALA HB . 17171 1 203 . 1 1 22 22 ALA HB3 H 1 1.381 0.020 . 1 . . . . 22 ALA HB . 17171 1 204 . 1 1 22 22 ALA C C 13 179.186 0.400 . 1 . . . . 22 ALA C . 17171 1 205 . 1 1 22 22 ALA CA C 13 55.260 0.400 . 1 . . . . 22 ALA CA . 17171 1 206 . 1 1 22 22 ALA CB C 13 18.038 0.400 . 1 . . . . 22 ALA CB . 17171 1 207 . 1 1 22 22 ALA N N 15 120.892 0.400 . 1 . . . . 22 ALA N . 17171 1 208 . 1 1 23 23 ALA H H 1 7.395 0.020 . 1 . . . . 23 ALA H . 17171 1 209 . 1 1 23 23 ALA HA H 1 4.064 0.020 . 1 . . . . 23 ALA HA . 17171 1 210 . 1 1 23 23 ALA HB1 H 1 1.512 0.020 . 1 . . . . 23 ALA HB . 17171 1 211 . 1 1 23 23 ALA HB2 H 1 1.512 0.020 . 1 . . . . 23 ALA HB . 17171 1 212 . 1 1 23 23 ALA HB3 H 1 1.512 0.020 . 1 . . . . 23 ALA HB . 17171 1 213 . 1 1 23 23 ALA C C 13 179.824 0.400 . 1 . . . . 23 ALA C . 17171 1 214 . 1 1 23 23 ALA CA C 13 54.270 0.400 . 1 . . . . 23 ALA CA . 17171 1 215 . 1 1 23 23 ALA CB C 13 18.488 0.400 . 1 . . . . 23 ALA CB . 17171 1 216 . 1 1 23 23 ALA N N 15 117.242 0.400 . 1 . . . . 23 ALA N . 17171 1 217 . 1 1 24 24 CYS H H 1 7.529 0.020 . 1 . . . . 24 CYS H . 17171 1 218 . 1 1 24 24 CYS HA H 1 4.213 0.020 . 1 . . . . 24 CYS HA . 17171 1 219 . 1 1 24 24 CYS HB2 H 1 2.621 0.020 . 2 . . . . 24 CYS HB2 . 17171 1 220 . 1 1 24 24 CYS HB3 H 1 2.621 0.020 . 2 . . . . 24 CYS HB3 . 17171 1 221 . 1 1 24 24 CYS C C 13 173.617 0.400 . 1 . . . . 24 CYS C . 17171 1 222 . 1 1 24 24 CYS CA C 13 61.179 0.400 . 1 . . . . 24 CYS CA . 17171 1 223 . 1 1 24 24 CYS CB C 13 28.735 0.400 . 1 . . . . 24 CYS CB . 17171 1 224 . 1 1 24 24 CYS N N 15 114.312 0.400 . 1 . . . . 24 CYS N . 17171 1 225 . 1 1 25 25 PHE H H 1 8.014 0.020 . 1 . . . . 25 PHE H . 17171 1 226 . 1 1 25 25 PHE HA H 1 4.591 0.020 . 1 . . . . 25 PHE HA . 17171 1 227 . 1 1 25 25 PHE HB2 H 1 2.413 0.020 . 2 . . . . 25 PHE HB2 . 17171 1 228 . 1 1 25 25 PHE HB3 H 1 2.598 0.020 . 2 . . . . 25 PHE HB3 . 17171 1 229 . 1 1 25 25 PHE HD1 H 1 7.182 0.020 . 1 . . . . 25 PHE HD1 . 17171 1 230 . 1 1 25 25 PHE HD2 H 1 7.182 0.020 . 1 . . . . 25 PHE HD2 . 17171 1 231 . 1 1 25 25 PHE HZ H 1 6.825 0.020 . 1 . . . . 25 PHE HZ . 17171 1 232 . 1 1 25 25 PHE CA C 13 55.523 0.400 . 1 . . . . 25 PHE CA . 17171 1 233 . 1 1 25 25 PHE CB C 13 37.709 0.400 . 1 . . . . 25 PHE CB . 17171 1 234 . 1 1 25 25 PHE N N 15 117.209 0.400 . 1 . . . . 25 PHE N . 17171 1 235 . 1 1 26 26 PRO HA H 1 4.376 0.020 . 1 . . . . 26 PRO HA . 17171 1 236 . 1 1 26 26 PRO HB2 H 1 2.005 0.020 . 2 . . . . 26 PRO HB2 . 17171 1 237 . 1 1 26 26 PRO HB3 H 1 2.218 0.020 . 2 . . . . 26 PRO HB3 . 17171 1 238 . 1 1 26 26 PRO HD2 H 1 3.260 0.020 . 2 . . . . 26 PRO HD2 . 17171 1 239 . 1 1 26 26 PRO HD3 H 1 3.387 0.020 . 2 . . . . 26 PRO HD3 . 17171 1 240 . 1 1 26 26 PRO HG2 H 1 2.008 0.020 . 2 . . . . 26 PRO HG2 . 17171 1 241 . 1 1 26 26 PRO HG3 H 1 2.008 0.020 . 2 . . . . 26 PRO HG3 . 17171 1 242 . 1 1 26 26 PRO C C 13 178.114 0.400 . 1 . . . . 26 PRO C . 17171 1 243 . 1 1 26 26 PRO CA C 13 65.251 0.400 . 1 . . . . 26 PRO CA . 17171 1 244 . 1 1 26 26 PRO CB C 13 30.976 0.400 . 1 . . . . 26 PRO CB . 17171 1 245 . 1 1 26 26 PRO CD C 13 50.520 0.400 . 1 . . . . 26 PRO CD . 17171 1 246 . 1 1 26 26 PRO CG C 13 27.343 0.400 . 1 . . . . 26 PRO CG . 17171 1 247 . 1 1 27 27 ASP H H 1 9.765 0.020 . 1 . . . . 27 ASP H . 17171 1 248 . 1 1 27 27 ASP HA H 1 4.182 0.020 . 1 . . . . 27 ASP HA . 17171 1 249 . 1 1 27 27 ASP HB2 H 1 2.513 0.020 . 2 . . . . 27 ASP HB2 . 17171 1 250 . 1 1 27 27 ASP HB3 H 1 2.712 0.020 . 2 . . . . 27 ASP HB3 . 17171 1 251 . 1 1 27 27 ASP C C 13 176.787 0.400 . 1 . . . . 27 ASP C . 17171 1 252 . 1 1 27 27 ASP CA C 13 54.775 0.400 . 1 . . . . 27 ASP CA . 17171 1 253 . 1 1 27 27 ASP CB C 13 38.606 0.400 . 1 . . . . 27 ASP CB . 17171 1 254 . 1 1 27 27 ASP N N 15 115.396 0.400 . 1 . . . . 27 ASP N . 17171 1 255 . 1 1 28 28 ILE H H 1 7.278 0.020 . 1 . . . . 28 ILE H . 17171 1 256 . 1 1 28 28 ILE HA H 1 3.927 0.020 . 1 . . . . 28 ILE HA . 17171 1 257 . 1 1 28 28 ILE HB H 1 1.864 0.020 . 1 . . . . 28 ILE HB . 17171 1 258 . 1 1 28 28 ILE HD11 H 1 0.712 0.020 . 1 . . . . 28 ILE HD1 . 17171 1 259 . 1 1 28 28 ILE HD12 H 1 0.712 0.020 . 1 . . . . 28 ILE HD1 . 17171 1 260 . 1 1 28 28 ILE HD13 H 1 0.712 0.020 . 1 . . . . 28 ILE HD1 . 17171 1 261 . 1 1 28 28 ILE HG12 H 1 1.522 0.020 . 2 . . . . 28 ILE HG12 . 17171 1 262 . 1 1 28 28 ILE HG13 H 1 1.257 0.020 . 2 . . . . 28 ILE HG13 . 17171 1 263 . 1 1 28 28 ILE HG21 H 1 0.529 0.020 . 1 . . . . 28 ILE HG2 . 17171 1 264 . 1 1 28 28 ILE HG22 H 1 0.529 0.020 . 1 . . . . 28 ILE HG2 . 17171 1 265 . 1 1 28 28 ILE HG23 H 1 0.529 0.020 . 1 . . . . 28 ILE HG2 . 17171 1 266 . 1 1 28 28 ILE C C 13 178.983 0.400 . 1 . . . . 28 ILE C . 17171 1 267 . 1 1 28 28 ILE CA C 13 60.850 0.400 . 1 . . . . 28 ILE CA . 17171 1 268 . 1 1 28 28 ILE CB C 13 36.427 0.400 . 1 . . . . 28 ILE CB . 17171 1 269 . 1 1 28 28 ILE CD1 C 13 10.441 0.400 . 1 . . . . 28 ILE CD1 . 17171 1 270 . 1 1 28 28 ILE CG1 C 13 27.490 0.400 . 1 . . . . 28 ILE CG1 . 17171 1 271 . 1 1 28 28 ILE CG2 C 13 17.783 0.400 . 1 . . . . 28 ILE CG2 . 17171 1 272 . 1 1 28 28 ILE N N 15 119.284 0.400 . 1 . . . . 28 ILE N . 17171 1 273 . 1 1 29 29 ILE H H 1 7.365 0.020 . 1 . . . . 29 ILE H . 17171 1 274 . 1 1 29 29 ILE HA H 1 3.963 0.020 . 1 . . . . 29 ILE HA . 17171 1 275 . 1 1 29 29 ILE HB H 1 1.685 0.020 . 1 . . . . 29 ILE HB . 17171 1 276 . 1 1 29 29 ILE HD11 H 1 0.821 0.020 . 1 . . . . 29 ILE HD1 . 17171 1 277 . 1 1 29 29 ILE HD12 H 1 0.821 0.020 . 1 . . . . 29 ILE HD1 . 17171 1 278 . 1 1 29 29 ILE HD13 H 1 0.821 0.020 . 1 . . . . 29 ILE HD1 . 17171 1 279 . 1 1 29 29 ILE HG12 H 1 1.383 0.020 . 2 . . . . 29 ILE HG12 . 17171 1 280 . 1 1 29 29 ILE HG13 H 1 1.383 0.020 . 2 . . . . 29 ILE HG13 . 17171 1 281 . 1 1 29 29 ILE HG21 H 1 1.026 0.020 . 1 . . . . 29 ILE HG2 . 17171 1 282 . 1 1 29 29 ILE HG22 H 1 1.026 0.020 . 1 . . . . 29 ILE HG2 . 17171 1 283 . 1 1 29 29 ILE HG23 H 1 1.026 0.020 . 1 . . . . 29 ILE HG2 . 17171 1 284 . 1 1 29 29 ILE C C 13 175.378 0.400 . 1 . . . . 29 ILE C . 17171 1 285 . 1 1 29 29 ILE CA C 13 61.679 0.400 . 1 . . . . 29 ILE CA . 17171 1 286 . 1 1 29 29 ILE CB C 13 37.978 0.400 . 1 . . . . 29 ILE CB . 17171 1 287 . 1 1 29 29 ILE CD1 C 13 13.495 0.400 . 1 . . . . 29 ILE CD1 . 17171 1 288 . 1 1 29 29 ILE CG1 C 13 28.787 0.400 . 1 . . . . 29 ILE CG1 . 17171 1 289 . 1 1 29 29 ILE CG2 C 13 18.470 0.400 . 1 . . . . 29 ILE CG2 . 17171 1 290 . 1 1 29 29 ILE N N 15 118.668 0.400 . 1 . . . . 29 ILE N . 17171 1 291 . 1 1 30 30 SER H H 1 7.138 0.020 . 1 . . . . 30 SER H . 17171 1 292 . 1 1 30 30 SER HA H 1 4.503 0.020 . 1 . . . . 30 SER HA . 17171 1 293 . 1 1 30 30 SER HB2 H 1 3.881 0.020 . 2 . . . . 30 SER HB2 . 17171 1 294 . 1 1 30 30 SER HB3 H 1 3.979 0.020 . 2 . . . . 30 SER HB3 . 17171 1 295 . 1 1 30 30 SER C C 13 174.583 0.400 . 1 . . . . 30 SER C . 17171 1 296 . 1 1 30 30 SER CA C 13 58.468 0.400 . 1 . . . . 30 SER CA . 17171 1 297 . 1 1 30 30 SER CB C 13 64.064 0.400 . 1 . . . . 30 SER CB . 17171 1 298 . 1 1 30 30 SER N N 15 112.153 0.400 . 1 . . . . 30 SER N . 17171 1 299 . 1 1 31 31 GLY H H 1 7.182 0.020 . 1 . . . . 31 GLY H . 17171 1 300 . 1 1 31 31 GLY HA2 H 1 3.855 0.020 . 2 . . . . 31 GLY HA2 . 17171 1 301 . 1 1 31 31 GLY HA3 H 1 4.477 0.020 . 2 . . . . 31 GLY HA3 . 17171 1 302 . 1 1 31 31 GLY CA C 13 44.497 0.400 . 1 . . . . 31 GLY CA . 17171 1 303 . 1 1 31 31 GLY N N 15 110.703 0.400 . 1 . . . . 31 GLY N . 17171 1 304 . 1 1 32 32 PRO HB2 H 1 2.103 0.020 . 2 . . . . 32 PRO HB2 . 17171 1 305 . 1 1 32 32 PRO HB3 H 1 2.103 0.020 . 2 . . . . 32 PRO HB3 . 17171 1 306 . 1 1 32 32 PRO HD2 H 1 3.725 0.020 . 2 . . . . 32 PRO HD2 . 17171 1 307 . 1 1 32 32 PRO HD3 H 1 3.662 0.020 . 2 . . . . 32 PRO HD3 . 17171 1 308 . 1 1 33 33 GLN HA H 1 3.905 0.020 . 1 . . . . 33 GLN HA . 17171 1 309 . 1 1 33 33 GLN HB2 H 1 2.106 0.020 . 2 . . . . 33 GLN HB2 . 17171 1 310 . 1 1 33 33 GLN HB3 H 1 2.172 0.020 . 2 . . . . 33 GLN HB3 . 17171 1 311 . 1 1 33 33 GLN HG2 H 1 2.433 0.020 . 2 . . . . 33 GLN HG2 . 17171 1 312 . 1 1 33 33 GLN HG3 H 1 2.493 0.020 . 2 . . . . 33 GLN HG3 . 17171 1 313 . 1 1 33 33 GLN C C 13 178.542 0.400 . 1 . . . . 33 GLN C . 17171 1 314 . 1 1 33 33 GLN CA C 13 59.565 0.400 . 1 . . . . 33 GLN CA . 17171 1 315 . 1 1 33 33 GLN CB C 13 28.414 0.400 . 1 . . . . 33 GLN CB . 17171 1 316 . 1 1 33 33 GLN CG C 13 34.141 0.400 . 1 . . . . 33 GLN CG . 17171 1 317 . 1 1 34 34 GLN H H 1 9.172 0.020 . 1 . . . . 34 GLN H . 17171 1 318 . 1 1 34 34 GLN HA H 1 4.076 0.020 . 1 . . . . 34 GLN HA . 17171 1 319 . 1 1 34 34 GLN HB2 H 1 2.006 0.020 . 2 . . . . 34 GLN HB2 . 17171 1 320 . 1 1 34 34 GLN HB3 H 1 2.180 0.020 . 2 . . . . 34 GLN HB3 . 17171 1 321 . 1 1 34 34 GLN HE21 H 1 7.220 0.020 . 2 . . . . 34 GLN HE21 . 17171 1 322 . 1 1 34 34 GLN HE22 H 1 7.220 0.020 . 2 . . . . 34 GLN HE22 . 17171 1 323 . 1 1 34 34 GLN HG2 H 1 2.463 0.020 . 2 . . . . 34 GLN HG2 . 17171 1 324 . 1 1 34 34 GLN HG3 H 1 2.463 0.020 . 2 . . . . 34 GLN HG3 . 17171 1 325 . 1 1 34 34 GLN C C 13 177.966 0.400 . 1 . . . . 34 GLN C . 17171 1 326 . 1 1 34 34 GLN CA C 13 59.483 0.400 . 1 . . . . 34 GLN CA . 17171 1 327 . 1 1 34 34 GLN CB C 13 27.795 0.400 . 1 . . . . 34 GLN CB . 17171 1 328 . 1 1 34 34 GLN CG C 13 33.312 0.400 . 1 . . . . 34 GLN CG . 17171 1 329 . 1 1 34 34 GLN N N 15 117.763 0.400 . 1 . . . . 34 GLN N . 17171 1 330 . 1 1 35 35 THR H H 1 7.244 0.020 . 1 . . . . 35 THR H . 17171 1 331 . 1 1 35 35 THR HA H 1 4.097 0.020 . 1 . . . . 35 THR HA . 17171 1 332 . 1 1 35 35 THR HB H 1 4.303 0.020 . 1 . . . . 35 THR HB . 17171 1 333 . 1 1 35 35 THR HG21 H 1 1.374 0.020 . 1 . . . . 35 THR HG2 . 17171 1 334 . 1 1 35 35 THR HG22 H 1 1.374 0.020 . 1 . . . . 35 THR HG2 . 17171 1 335 . 1 1 35 35 THR HG23 H 1 1.374 0.020 . 1 . . . . 35 THR HG2 . 17171 1 336 . 1 1 35 35 THR C C 13 176.405 0.400 . 1 . . . . 35 THR C . 17171 1 337 . 1 1 35 35 THR CA C 13 65.745 0.400 . 1 . . . . 35 THR CA . 17171 1 338 . 1 1 35 35 THR CB C 13 68.268 0.400 . 1 . . . . 35 THR CB . 17171 1 339 . 1 1 35 35 THR CG2 C 13 23.087 0.400 . 1 . . . . 35 THR CG2 . 17171 1 340 . 1 1 35 35 THR N N 15 114.668 0.400 . 1 . . . . 35 THR N . 17171 1 341 . 1 1 36 36 GLN H H 1 7.436 0.020 . 1 . . . . 36 GLN H . 17171 1 342 . 1 1 36 36 GLN HA H 1 3.821 0.020 . 1 . . . . 36 GLN HA . 17171 1 343 . 1 1 36 36 GLN HB2 H 1 2.040 0.020 . 2 . . . . 36 GLN HB2 . 17171 1 344 . 1 1 36 36 GLN HB3 H 1 1.975 0.020 . 2 . . . . 36 GLN HB3 . 17171 1 345 . 1 1 36 36 GLN HG2 H 1 2.187 0.020 . 2 . . . . 36 GLN HG2 . 17171 1 346 . 1 1 36 36 GLN HG3 H 1 2.299 0.020 . 2 . . . . 36 GLN HG3 . 17171 1 347 . 1 1 36 36 GLN C C 13 177.817 0.400 . 1 . . . . 36 GLN C . 17171 1 348 . 1 1 36 36 GLN CA C 13 59.884 0.400 . 1 . . . . 36 GLN CA . 17171 1 349 . 1 1 36 36 GLN CB C 13 27.451 0.400 . 1 . . . . 36 GLN CB . 17171 1 350 . 1 1 36 36 GLN CG C 13 34.852 0.400 . 1 . . . . 36 GLN CG . 17171 1 351 . 1 1 36 36 GLN N N 15 121.934 0.400 . 1 . . . . 36 GLN N . 17171 1 352 . 1 1 37 37 LYS H H 1 8.035 0.020 . 1 . . . . 37 LYS H . 17171 1 353 . 1 1 37 37 LYS HA H 1 4.041 0.020 . 1 . . . . 37 LYS HA . 17171 1 354 . 1 1 37 37 LYS HB2 H 1 2.013 0.020 . 2 . . . . 37 LYS HB2 . 17171 1 355 . 1 1 37 37 LYS HB3 H 1 2.063 0.020 . 2 . . . . 37 LYS HB3 . 17171 1 356 . 1 1 37 37 LYS HD2 H 1 1.707 0.020 . 2 . . . . 37 LYS HD2 . 17171 1 357 . 1 1 37 37 LYS HD3 H 1 1.707 0.020 . 2 . . . . 37 LYS HD3 . 17171 1 358 . 1 1 37 37 LYS HE2 H 1 2.997 0.020 . 2 . . . . 37 LYS HE2 . 17171 1 359 . 1 1 37 37 LYS HE3 H 1 2.997 0.020 . 2 . . . . 37 LYS HE3 . 17171 1 360 . 1 1 37 37 LYS HG2 H 1 1.489 0.020 . 2 . . . . 37 LYS HG2 . 17171 1 361 . 1 1 37 37 LYS HG3 H 1 1.678 0.020 . 2 . . . . 37 LYS HG3 . 17171 1 362 . 1 1 37 37 LYS C C 13 179.959 0.400 . 1 . . . . 37 LYS C . 17171 1 363 . 1 1 37 37 LYS CA C 13 59.956 0.400 . 1 . . . . 37 LYS CA . 17171 1 364 . 1 1 37 37 LYS CB C 13 32.026 0.400 . 1 . . . . 37 LYS CB . 17171 1 365 . 1 1 37 37 LYS CD C 13 29.329 0.400 . 1 . . . . 37 LYS CD . 17171 1 366 . 1 1 37 37 LYS CE C 13 42.220 0.400 . 1 . . . . 37 LYS CE . 17171 1 367 . 1 1 37 37 LYS CG C 13 25.540 0.400 . 1 . . . . 37 LYS CG . 17171 1 368 . 1 1 37 37 LYS N N 15 117.582 0.400 . 1 . . . . 37 LYS N . 17171 1 369 . 1 1 38 38 VAL H H 1 7.787 0.020 . 1 . . . . 38 VAL H . 17171 1 370 . 1 1 38 38 VAL HA H 1 3.882 0.020 . 1 . . . . 38 VAL HA . 17171 1 371 . 1 1 38 38 VAL HB H 1 2.399 0.020 . 1 . . . . 38 VAL HB . 17171 1 372 . 1 1 38 38 VAL HG11 H 1 1.185 0.020 . 2 . . . . 38 VAL HG1 . 17171 1 373 . 1 1 38 38 VAL HG12 H 1 1.185 0.020 . 2 . . . . 38 VAL HG1 . 17171 1 374 . 1 1 38 38 VAL HG13 H 1 1.185 0.020 . 2 . . . . 38 VAL HG1 . 17171 1 375 . 1 1 38 38 VAL HG21 H 1 1.233 0.020 . 2 . . . . 38 VAL HG2 . 17171 1 376 . 1 1 38 38 VAL HG22 H 1 1.233 0.020 . 2 . . . . 38 VAL HG2 . 17171 1 377 . 1 1 38 38 VAL HG23 H 1 1.233 0.020 . 2 . . . . 38 VAL HG2 . 17171 1 378 . 1 1 38 38 VAL C C 13 177.051 0.400 . 1 . . . . 38 VAL C . 17171 1 379 . 1 1 38 38 VAL CA C 13 67.399 0.400 . 1 . . . . 38 VAL CA . 17171 1 380 . 1 1 38 38 VAL CB C 13 31.935 0.400 . 1 . . . . 38 VAL CB . 17171 1 381 . 1 1 38 38 VAL CG1 C 13 22.793 0.400 . 1 . . . . 38 VAL CG1 . 17171 1 382 . 1 1 38 38 VAL CG2 C 13 22.047 0.400 . 1 . . . . 38 VAL CG2 . 17171 1 383 . 1 1 38 38 VAL N N 15 121.778 0.400 . 1 . . . . 38 VAL N . 17171 1 384 . 1 1 39 39 PHE H H 1 8.220 0.020 . 1 . . . . 39 PHE H . 17171 1 385 . 1 1 39 39 PHE HA H 1 3.657 0.020 . 1 . . . . 39 PHE HA . 17171 1 386 . 1 1 39 39 PHE HB2 H 1 2.829 0.020 . 2 . . . . 39 PHE HB2 . 17171 1 387 . 1 1 39 39 PHE HB3 H 1 3.395 0.020 . 2 . . . . 39 PHE HB3 . 17171 1 388 . 1 1 39 39 PHE HD1 H 1 6.546 0.020 . 1 . . . . 39 PHE HD1 . 17171 1 389 . 1 1 39 39 PHE HD2 H 1 6.546 0.020 . 1 . . . . 39 PHE HD2 . 17171 1 390 . 1 1 39 39 PHE C C 13 176.066 0.400 . 1 . . . . 39 PHE C . 17171 1 391 . 1 1 39 39 PHE CA C 13 62.825 0.400 . 1 . . . . 39 PHE CA . 17171 1 392 . 1 1 39 39 PHE CB C 13 39.519 0.400 . 1 . . . . 39 PHE CB . 17171 1 393 . 1 1 39 39 PHE N N 15 119.360 0.400 . 1 . . . . 39 PHE N . 17171 1 394 . 1 1 40 40 LEU H H 1 8.480 0.020 . 1 . . . . 40 LEU H . 17171 1 395 . 1 1 40 40 LEU HA H 1 3.617 0.020 . 1 . . . . 40 LEU HA . 17171 1 396 . 1 1 40 40 LEU HB2 H 1 1.267 0.020 . 2 . . . . 40 LEU HB2 . 17171 1 397 . 1 1 40 40 LEU HB3 H 1 1.861 0.020 . 2 . . . . 40 LEU HB3 . 17171 1 398 . 1 1 40 40 LEU HD11 H 1 0.676 0.020 . 2 . . . . 40 LEU HD1 . 17171 1 399 . 1 1 40 40 LEU HD12 H 1 0.676 0.020 . 2 . . . . 40 LEU HD1 . 17171 1 400 . 1 1 40 40 LEU HD13 H 1 0.676 0.020 . 2 . . . . 40 LEU HD1 . 17171 1 401 . 1 1 40 40 LEU HD21 H 1 0.676 0.020 . 2 . . . . 40 LEU HD2 . 17171 1 402 . 1 1 40 40 LEU HD22 H 1 0.676 0.020 . 2 . . . . 40 LEU HD2 . 17171 1 403 . 1 1 40 40 LEU HD23 H 1 0.676 0.020 . 2 . . . . 40 LEU HD2 . 17171 1 404 . 1 1 40 40 LEU HG H 1 1.845 0.020 . 1 . . . . 40 LEU HG . 17171 1 405 . 1 1 40 40 LEU C C 13 177.588 0.400 . 1 . . . . 40 LEU C . 17171 1 406 . 1 1 40 40 LEU CA C 13 57.860 0.400 . 1 . . . . 40 LEU CA . 17171 1 407 . 1 1 40 40 LEU CB C 13 41.750 0.400 . 1 . . . . 40 LEU CB . 17171 1 408 . 1 1 40 40 LEU CD1 C 13 25.726 0.400 . 1 . . . . 40 LEU CD1 . 17171 1 409 . 1 1 40 40 LEU CD2 C 13 22.151 0.400 . 1 . . . . 40 LEU CD2 . 17171 1 410 . 1 1 40 40 LEU CG C 13 25.732 0.400 . 1 . . . . 40 LEU CG . 17171 1 411 . 1 1 40 40 LEU N N 15 118.540 0.400 . 1 . . . . 40 LEU N . 17171 1 412 . 1 1 41 41 PHE H H 1 8.131 0.020 . 1 . . . . 41 PHE H . 17171 1 413 . 1 1 41 41 PHE HA H 1 3.856 0.020 . 1 . . . . 41 PHE HA . 17171 1 414 . 1 1 41 41 PHE HB2 H 1 2.822 0.020 . 2 . . . . 41 PHE HB2 . 17171 1 415 . 1 1 41 41 PHE HB3 H 1 2.822 0.020 . 2 . . . . 41 PHE HB3 . 17171 1 416 . 1 1 41 41 PHE HD1 H 1 6.526 0.020 . 1 . . . . 41 PHE HD1 . 17171 1 417 . 1 1 41 41 PHE HD2 H 1 6.526 0.020 . 1 . . . . 41 PHE HD2 . 17171 1 418 . 1 1 41 41 PHE C C 13 178.598 0.400 . 1 . . . . 41 PHE C . 17171 1 419 . 1 1 41 41 PHE CA C 13 62.090 0.400 . 1 . . . . 41 PHE CA . 17171 1 420 . 1 1 41 41 PHE CB C 13 39.644 0.400 . 1 . . . . 41 PHE CB . 17171 1 421 . 1 1 41 41 PHE N N 15 119.956 0.400 . 1 . . . . 41 PHE N . 17171 1 422 . 1 1 42 42 ILE H H 1 8.355 0.020 . 1 . . . . 42 ILE H . 17171 1 423 . 1 1 42 42 ILE HA H 1 3.354 0.020 . 1 . . . . 42 ILE HA . 17171 1 424 . 1 1 42 42 ILE HB H 1 1.705 0.020 . 1 . . . . 42 ILE HB . 17171 1 425 . 1 1 42 42 ILE HD11 H 1 0.999 0.020 . 1 . . . . 42 ILE HD1 . 17171 1 426 . 1 1 42 42 ILE HD12 H 1 0.999 0.020 . 1 . . . . 42 ILE HD1 . 17171 1 427 . 1 1 42 42 ILE HD13 H 1 0.999 0.020 . 1 . . . . 42 ILE HD1 . 17171 1 428 . 1 1 42 42 ILE HG12 H 1 2.248 0.020 . 2 . . . . 42 ILE HG12 . 17171 1 429 . 1 1 42 42 ILE HG13 H 1 2.248 0.020 . 2 . . . . 42 ILE HG13 . 17171 1 430 . 1 1 42 42 ILE HG21 H 1 0.836 0.020 . 1 . . . . 42 ILE HG2 . 17171 1 431 . 1 1 42 42 ILE HG22 H 1 0.836 0.020 . 1 . . . . 42 ILE HG2 . 17171 1 432 . 1 1 42 42 ILE HG23 H 1 0.836 0.020 . 1 . . . . 42 ILE HG2 . 17171 1 433 . 1 1 42 42 ILE C C 13 179.018 0.400 . 1 . . . . 42 ILE C . 17171 1 434 . 1 1 42 42 ILE CA C 13 65.942 0.400 . 1 . . . . 42 ILE CA . 17171 1 435 . 1 1 42 42 ILE CB C 13 38.843 0.400 . 1 . . . . 42 ILE CB . 17171 1 436 . 1 1 42 42 ILE CD1 C 13 15.850 0.400 . 1 . . . . 42 ILE CD1 . 17171 1 437 . 1 1 42 42 ILE CG1 C 13 29.293 0.400 . 1 . . . . 42 ILE CG1 . 17171 1 438 . 1 1 42 42 ILE CG2 C 13 18.089 0.400 . 1 . . . . 42 ILE CG2 . 17171 1 439 . 1 1 42 42 ILE N N 15 118.158 0.400 . 1 . . . . 42 ILE N . 17171 1 440 . 1 1 43 43 ARG H H 1 8.885 0.020 . 1 . . . . 43 ARG H . 17171 1 441 . 1 1 43 43 ARG HA H 1 3.426 0.020 . 1 . . . . 43 ARG HA . 17171 1 442 . 1 1 43 43 ARG HB2 H 1 1.203 0.020 . 2 . . . . 43 ARG HB2 . 17171 1 443 . 1 1 43 43 ARG HB3 H 1 1.330 0.020 . 2 . . . . 43 ARG HB3 . 17171 1 444 . 1 1 43 43 ARG HG2 H 1 1.317 0.020 . 2 . . . . 43 ARG HG2 . 17171 1 445 . 1 1 43 43 ARG HG3 H 1 1.317 0.020 . 2 . . . . 43 ARG HG3 . 17171 1 446 . 1 1 43 43 ARG C C 13 176.692 0.400 . 1 . . . . 43 ARG C . 17171 1 447 . 1 1 43 43 ARG CA C 13 61.072 0.400 . 1 . . . . 43 ARG CA . 17171 1 448 . 1 1 43 43 ARG CB C 13 30.286 0.400 . 1 . . . . 43 ARG CB . 17171 1 449 . 1 1 43 43 ARG CG C 13 24.595 0.400 . 1 . . . . 43 ARG CG . 17171 1 450 . 1 1 43 43 ARG N N 15 123.742 0.400 . 1 . . . . 43 ARG N . 17171 1 451 . 1 1 44 44 ASN H H 1 8.874 0.020 . 1 . . . . 44 ASN H . 17171 1 452 . 1 1 44 44 ASN HA H 1 4.300 0.020 . 1 . . . . 44 ASN HA . 17171 1 453 . 1 1 44 44 ASN HB2 H 1 2.476 0.020 . 2 . . . . 44 ASN HB2 . 17171 1 454 . 1 1 44 44 ASN HB3 H 1 2.622 0.020 . 2 . . . . 44 ASN HB3 . 17171 1 455 . 1 1 44 44 ASN HD21 H 1 7.357 0.020 . 2 . . . . 44 ASN HD21 . 17171 1 456 . 1 1 44 44 ASN HD22 H 1 7.256 0.020 . 2 . . . . 44 ASN HD22 . 17171 1 457 . 1 1 44 44 ASN CA C 13 55.811 0.400 . 1 . . . . 44 ASN CA . 17171 1 458 . 1 1 44 44 ASN CB C 13 37.239 0.400 . 1 . . . . 44 ASN CB . 17171 1 459 . 1 1 44 44 ASN N N 15 117.420 0.400 . 1 . . . . 44 ASN N . 17171 1 460 . 1 1 45 45 ARG H H 1 8.479 0.020 . 1 . . . . 45 ARG H . 17171 1 461 . 1 1 45 45 ARG HA H 1 3.949 0.020 . 1 . . . . 45 ARG HA . 17171 1 462 . 1 1 45 45 ARG HB2 H 1 1.368 0.020 . 2 . . . . 45 ARG HB2 . 17171 1 463 . 1 1 45 45 ARG HB3 H 1 1.617 0.020 . 2 . . . . 45 ARG HB3 . 17171 1 464 . 1 1 45 45 ARG HD2 H 1 2.986 0.020 . 2 . . . . 45 ARG HD2 . 17171 1 465 . 1 1 45 45 ARG HD3 H 1 3.299 0.020 . 2 . . . . 45 ARG HD3 . 17171 1 466 . 1 1 45 45 ARG HG2 H 1 1.284 0.020 . 2 . . . . 45 ARG HG2 . 17171 1 467 . 1 1 45 45 ARG HG3 H 1 1.396 0.020 . 2 . . . . 45 ARG HG3 . 17171 1 468 . 1 1 45 45 ARG C C 13 177.481 0.400 . 1 . . . . 45 ARG C . 17171 1 469 . 1 1 45 45 ARG CA C 13 57.467 0.400 . 1 . . . . 45 ARG CA . 17171 1 470 . 1 1 45 45 ARG CB C 13 29.107 0.400 . 1 . . . . 45 ARG CB . 17171 1 471 . 1 1 45 45 ARG CD C 13 42.036 0.400 . 1 . . . . 45 ARG CD . 17171 1 472 . 1 1 45 45 ARG CG C 13 26.538 0.400 . 1 . . . . 45 ARG CG . 17171 1 473 . 1 1 45 45 ARG N N 15 121.483 0.400 . 1 . . . . 45 ARG N . 17171 1 474 . 1 1 46 46 THR H H 1 8.197 0.020 . 1 . . . . 46 THR H . 17171 1 475 . 1 1 46 46 THR HA H 1 3.923 0.020 . 1 . . . . 46 THR HA . 17171 1 476 . 1 1 46 46 THR HB H 1 4.433 0.020 . 1 . . . . 46 THR HB . 17171 1 477 . 1 1 46 46 THR HG21 H 1 1.445 0.020 . 1 . . . . 46 THR HG2 . 17171 1 478 . 1 1 46 46 THR HG22 H 1 1.445 0.020 . 1 . . . . 46 THR HG2 . 17171 1 479 . 1 1 46 46 THR HG23 H 1 1.445 0.020 . 1 . . . . 46 THR HG2 . 17171 1 480 . 1 1 46 46 THR C C 13 175.766 0.400 . 1 . . . . 46 THR C . 17171 1 481 . 1 1 46 46 THR CA C 13 65.821 0.400 . 1 . . . . 46 THR CA . 17171 1 482 . 1 1 46 46 THR CB C 13 67.970 0.400 . 1 . . . . 46 THR CB . 17171 1 483 . 1 1 46 46 THR CG2 C 13 22.751 0.400 . 1 . . . . 46 THR CG2 . 17171 1 484 . 1 1 46 46 THR N N 15 116.552 0.400 . 1 . . . . 46 THR N . 17171 1 485 . 1 1 47 47 LEU H H 1 7.701 0.020 . 1 . . . . 47 LEU H . 17171 1 486 . 1 1 47 47 LEU HA H 1 3.997 0.020 . 1 . . . . 47 LEU HA . 17171 1 487 . 1 1 47 47 LEU HB2 H 1 1.599 0.020 . 2 . . . . 47 LEU HB2 . 17171 1 488 . 1 1 47 47 LEU HB3 H 1 1.775 0.020 . 2 . . . . 47 LEU HB3 . 17171 1 489 . 1 1 47 47 LEU HD11 H 1 0.914 0.020 . 2 . . . . 47 LEU HD1 . 17171 1 490 . 1 1 47 47 LEU HD12 H 1 0.914 0.020 . 2 . . . . 47 LEU HD1 . 17171 1 491 . 1 1 47 47 LEU HD13 H 1 0.914 0.020 . 2 . . . . 47 LEU HD1 . 17171 1 492 . 1 1 47 47 LEU HD21 H 1 0.946 0.020 . 2 . . . . 47 LEU HD2 . 17171 1 493 . 1 1 47 47 LEU HD22 H 1 0.946 0.020 . 2 . . . . 47 LEU HD2 . 17171 1 494 . 1 1 47 47 LEU HD23 H 1 0.946 0.020 . 2 . . . . 47 LEU HD2 . 17171 1 495 . 1 1 47 47 LEU HG H 1 1.731 0.020 . 1 . . . . 47 LEU HG . 17171 1 496 . 1 1 47 47 LEU C C 13 178.343 0.400 . 1 . . . . 47 LEU C . 17171 1 497 . 1 1 47 47 LEU CA C 13 58.386 0.400 . 1 . . . . 47 LEU CA . 17171 1 498 . 1 1 47 47 LEU CB C 13 42.290 0.400 . 1 . . . . 47 LEU CB . 17171 1 499 . 1 1 47 47 LEU CD1 C 13 25.157 0.400 . 1 . . . . 47 LEU CD1 . 17171 1 500 . 1 1 47 47 LEU CD2 C 13 26.212 0.400 . 1 . . . . 47 LEU CD2 . 17171 1 501 . 1 1 47 47 LEU CG C 13 26.394 0.400 . 1 . . . . 47 LEU CG . 17171 1 502 . 1 1 47 47 LEU N N 15 118.532 0.400 . 1 . . . . 47 LEU N . 17171 1 503 . 1 1 48 48 GLN H H 1 7.859 0.020 . 1 . . . . 48 GLN H . 17171 1 504 . 1 1 48 48 GLN HA H 1 3.830 0.020 . 1 . . . . 48 GLN HA . 17171 1 505 . 1 1 48 48 GLN HB2 H 1 2.141 0.020 . 2 . . . . 48 GLN HB2 . 17171 1 506 . 1 1 48 48 GLN HB3 H 1 2.221 0.020 . 2 . . . . 48 GLN HB3 . 17171 1 507 . 1 1 48 48 GLN HE21 H 1 7.161 0.020 . 2 . . . . 48 GLN HE21 . 17171 1 508 . 1 1 48 48 GLN HE22 H 1 7.069 0.020 . 2 . . . . 48 GLN HE22 . 17171 1 509 . 1 1 48 48 GLN HG2 H 1 2.275 0.020 . 2 . . . . 48 GLN HG2 . 17171 1 510 . 1 1 48 48 GLN HG3 H 1 2.417 0.020 . 2 . . . . 48 GLN HG3 . 17171 1 511 . 1 1 48 48 GLN C C 13 177.583 0.400 . 1 . . . . 48 GLN C . 17171 1 512 . 1 1 48 48 GLN CA C 13 59.025 0.400 . 1 . . . . 48 GLN CA . 17171 1 513 . 1 1 48 48 GLN CB C 13 28.543 0.400 . 1 . . . . 48 GLN CB . 17171 1 514 . 1 1 48 48 GLN CG C 13 33.458 0.400 . 1 . . . . 48 GLN CG . 17171 1 515 . 1 1 48 48 GLN N N 15 118.333 0.400 . 1 . . . . 48 GLN N . 17171 1 516 . 1 1 49 49 LEU H H 1 8.191 0.020 . 1 . . . . 49 LEU H . 17171 1 517 . 1 1 49 49 LEU HA H 1 4.021 0.020 . 1 . . . . 49 LEU HA . 17171 1 518 . 1 1 49 49 LEU HB2 H 1 2.239 0.020 . 2 . . . . 49 LEU HB2 . 17171 1 519 . 1 1 49 49 LEU HB3 H 1 1.396 0.020 . 2 . . . . 49 LEU HB3 . 17171 1 520 . 1 1 49 49 LEU HD11 H 1 0.902 0.020 . 2 . . . . 49 LEU HD1 . 17171 1 521 . 1 1 49 49 LEU HD12 H 1 0.902 0.020 . 2 . . . . 49 LEU HD1 . 17171 1 522 . 1 1 49 49 LEU HD13 H 1 0.902 0.020 . 2 . . . . 49 LEU HD1 . 17171 1 523 . 1 1 49 49 LEU HD21 H 1 0.841 0.020 . 2 . . . . 49 LEU HD2 . 17171 1 524 . 1 1 49 49 LEU HD22 H 1 0.841 0.020 . 2 . . . . 49 LEU HD2 . 17171 1 525 . 1 1 49 49 LEU HD23 H 1 0.841 0.020 . 2 . . . . 49 LEU HD2 . 17171 1 526 . 1 1 49 49 LEU HG H 1 1.966 0.020 . 1 . . . . 49 LEU HG . 17171 1 527 . 1 1 49 49 LEU C C 13 180.128 0.400 . 1 . . . . 49 LEU C . 17171 1 528 . 1 1 49 49 LEU CA C 13 57.917 0.400 . 1 . . . . 49 LEU CA . 17171 1 529 . 1 1 49 49 LEU CB C 13 42.741 0.400 . 1 . . . . 49 LEU CB . 17171 1 530 . 1 1 49 49 LEU CD1 C 13 26.921 0.400 . 1 . . . . 49 LEU CD1 . 17171 1 531 . 1 1 49 49 LEU N N 15 118.691 0.400 . 1 . . . . 49 LEU N . 17171 1 532 . 1 1 50 50 TRP H H 1 7.627 0.020 . 1 . . . . 50 TRP H . 17171 1 533 . 1 1 50 50 TRP HA H 1 4.678 0.020 . 1 . . . . 50 TRP HA . 17171 1 534 . 1 1 50 50 TRP HB2 H 1 3.219 0.020 . 2 . . . . 50 TRP HB2 . 17171 1 535 . 1 1 50 50 TRP HB3 H 1 3.460 0.020 . 2 . . . . 50 TRP HB3 . 17171 1 536 . 1 1 50 50 TRP HD1 H 1 7.149 0.020 . 1 . . . . 50 TRP HD1 . 17171 1 537 . 1 1 50 50 TRP HE1 H 1 9.423 0.020 . 1 . . . . 50 TRP HE1 . 17171 1 538 . 1 1 50 50 TRP HE3 H 1 7.461 0.020 . 1 . . . . 50 TRP HE3 . 17171 1 539 . 1 1 50 50 TRP HH2 H 1 6.672 0.020 . 1 . . . . 50 TRP HH2 . 17171 1 540 . 1 1 50 50 TRP HZ2 H 1 7.310 0.020 . 1 . . . . 50 TRP HZ2 . 17171 1 541 . 1 1 50 50 TRP C C 13 176.385 0.400 . 1 . . . . 50 TRP C . 17171 1 542 . 1 1 50 50 TRP CA C 13 59.009 0.400 . 1 . . . . 50 TRP CA . 17171 1 543 . 1 1 50 50 TRP CB C 13 30.284 0.400 . 1 . . . . 50 TRP CB . 17171 1 544 . 1 1 50 50 TRP N N 15 120.266 0.400 . 1 . . . . 50 TRP N . 17171 1 545 . 1 1 50 50 TRP NE1 N 15 128.162 0.400 . 1 . . . . 50 TRP NE1 . 17171 1 546 . 1 1 51 51 LEU H H 1 8.520 0.020 . 1 . . . . 51 LEU H . 17171 1 547 . 1 1 51 51 LEU HA H 1 3.494 0.020 . 1 . . . . 51 LEU HA . 17171 1 548 . 1 1 51 51 LEU HB2 H 1 1.366 0.020 . 2 . . . . 51 LEU HB2 . 17171 1 549 . 1 1 51 51 LEU HB3 H 1 1.860 0.020 . 2 . . . . 51 LEU HB3 . 17171 1 550 . 1 1 51 51 LEU HD11 H 1 0.956 0.020 . 2 . . . . 51 LEU HD1 . 17171 1 551 . 1 1 51 51 LEU HD12 H 1 0.956 0.020 . 2 . . . . 51 LEU HD1 . 17171 1 552 . 1 1 51 51 LEU HD13 H 1 0.956 0.020 . 2 . . . . 51 LEU HD1 . 17171 1 553 . 1 1 51 51 LEU HD21 H 1 0.894 0.020 . 2 . . . . 51 LEU HD2 . 17171 1 554 . 1 1 51 51 LEU HD22 H 1 0.894 0.020 . 2 . . . . 51 LEU HD2 . 17171 1 555 . 1 1 51 51 LEU HD23 H 1 0.894 0.020 . 2 . . . . 51 LEU HD2 . 17171 1 556 . 1 1 51 51 LEU HG H 1 2.035 0.020 . 1 . . . . 51 LEU HG . 17171 1 557 . 1 1 51 51 LEU C C 13 180.032 0.400 . 1 . . . . 51 LEU C . 17171 1 558 . 1 1 51 51 LEU CA C 13 57.118 0.400 . 1 . . . . 51 LEU CA . 17171 1 559 . 1 1 51 51 LEU CB C 13 41.561 0.400 . 1 . . . . 51 LEU CB . 17171 1 560 . 1 1 51 51 LEU CD2 C 13 25.810 0.400 . 1 . . . . 51 LEU CD2 . 17171 1 561 . 1 1 51 51 LEU N N 15 116.751 0.400 . 1 . . . . 51 LEU N . 17171 1 562 . 1 1 52 52 ASP H H 1 8.161 0.020 . 1 . . . . 52 ASP H . 17171 1 563 . 1 1 52 52 ASP HA H 1 4.359 0.020 . 1 . . . . 52 ASP HA . 17171 1 564 . 1 1 52 52 ASP HB2 H 1 2.559 0.020 . 2 . . . . 52 ASP HB2 . 17171 1 565 . 1 1 52 52 ASP HB3 H 1 2.753 0.020 . 2 . . . . 52 ASP HB3 . 17171 1 566 . 1 1 52 52 ASP C C 13 177.515 0.400 . 1 . . . . 52 ASP C . 17171 1 567 . 1 1 52 52 ASP CA C 13 56.131 0.400 . 1 . . . . 52 ASP CA . 17171 1 568 . 1 1 52 52 ASP CB C 13 41.144 0.400 . 1 . . . . 52 ASP CB . 17171 1 569 . 1 1 52 52 ASP N N 15 117.446 0.400 . 1 . . . . 52 ASP N . 17171 1 570 . 1 1 53 53 ASN H H 1 7.231 0.020 . 1 . . . . 53 ASN H . 17171 1 571 . 1 1 53 53 ASN HA H 1 4.707 0.020 . 1 . . . . 53 ASN HA . 17171 1 572 . 1 1 53 53 ASN HB2 H 1 2.644 0.020 . 2 . . . . 53 ASN HB2 . 17171 1 573 . 1 1 53 53 ASN HB3 H 1 2.904 0.020 . 2 . . . . 53 ASN HB3 . 17171 1 574 . 1 1 53 53 ASN CA C 13 51.823 0.400 . 1 . . . . 53 ASN CA . 17171 1 575 . 1 1 53 53 ASN CB C 13 38.332 0.400 . 1 . . . . 53 ASN CB . 17171 1 576 . 1 1 53 53 ASN N N 15 113.244 0.400 . 1 . . . . 53 ASN N . 17171 1 577 . 1 1 54 54 PRO HD2 H 1 3.278 0.020 . 2 . . . . 54 PRO HD2 . 17171 1 578 . 1 1 54 54 PRO HD3 H 1 3.278 0.020 . 2 . . . . 54 PRO HD3 . 17171 1 579 . 1 1 54 54 PRO C C 13 175.418 0.400 . 1 . . . . 54 PRO C . 17171 1 580 . 1 1 54 54 PRO CA C 13 63.253 0.400 . 1 . . . . 54 PRO CA . 17171 1 581 . 1 1 54 54 PRO CB C 13 30.031 0.400 . 1 . . . . 54 PRO CB . 17171 1 582 . 1 1 54 54 PRO CG C 13 26.524 0.400 . 1 . . . . 54 PRO CG . 17171 1 583 . 1 1 55 55 LYS H H 1 7.075 0.020 . 1 . . . . 55 LYS H . 17171 1 584 . 1 1 55 55 LYS HA H 1 4.349 0.020 . 1 . . . . 55 LYS HA . 17171 1 585 . 1 1 55 55 LYS HB2 H 1 1.729 0.020 . 2 . . . . 55 LYS HB2 . 17171 1 586 . 1 1 55 55 LYS HB3 H 1 1.947 0.020 . 2 . . . . 55 LYS HB3 . 17171 1 587 . 1 1 55 55 LYS HD2 H 1 1.629 0.020 . 2 . . . . 55 LYS HD2 . 17171 1 588 . 1 1 55 55 LYS HD3 H 1 1.629 0.020 . 2 . . . . 55 LYS HD3 . 17171 1 589 . 1 1 55 55 LYS HE2 H 1 2.855 0.020 . 2 . . . . 55 LYS HE2 . 17171 1 590 . 1 1 55 55 LYS HE3 H 1 2.855 0.020 . 2 . . . . 55 LYS HE3 . 17171 1 591 . 1 1 55 55 LYS HG2 H 1 1.269 0.020 . 2 . . . . 55 LYS HG2 . 17171 1 592 . 1 1 55 55 LYS HG3 H 1 1.332 0.020 . 2 . . . . 55 LYS HG3 . 17171 1 593 . 1 1 55 55 LYS HZ1 H 1 7.636 0.020 . 1 . . . . 55 LYS HZ1 . 17171 1 594 . 1 1 55 55 LYS HZ2 H 1 7.636 0.020 . 1 . . . . 55 LYS HZ2 . 17171 1 595 . 1 1 55 55 LYS HZ3 H 1 7.636 0.020 . 1 . . . . 55 LYS HZ3 . 17171 1 596 . 1 1 55 55 LYS C C 13 176.471 0.400 . 1 . . . . 55 LYS C . 17171 1 597 . 1 1 55 55 LYS CA C 13 55.856 0.400 . 1 . . . . 55 LYS CA . 17171 1 598 . 1 1 55 55 LYS CB C 13 32.690 0.400 . 1 . . . . 55 LYS CB . 17171 1 599 . 1 1 55 55 LYS CD C 13 28.795 0.400 . 1 . . . . 55 LYS CD . 17171 1 600 . 1 1 55 55 LYS CE C 13 42.173 0.400 . 1 . . . . 55 LYS CE . 17171 1 601 . 1 1 55 55 LYS CG C 13 25.079 0.400 . 1 . . . . 55 LYS CG . 17171 1 602 . 1 1 55 55 LYS N N 15 114.547 0.400 . 1 . . . . 55 LYS N . 17171 1 603 . 1 1 56 56 ILE H H 1 7.302 0.020 . 1 . . . . 56 ILE H . 17171 1 604 . 1 1 56 56 ILE HA H 1 4.652 0.020 . 1 . . . . 56 ILE HA . 17171 1 605 . 1 1 56 56 ILE HB H 1 1.804 0.020 . 1 . . . . 56 ILE HB . 17171 1 606 . 1 1 56 56 ILE HD11 H 1 0.853 0.020 . 1 . . . . 56 ILE HD1 . 17171 1 607 . 1 1 56 56 ILE HD12 H 1 0.853 0.020 . 1 . . . . 56 ILE HD1 . 17171 1 608 . 1 1 56 56 ILE HD13 H 1 0.853 0.020 . 1 . . . . 56 ILE HD1 . 17171 1 609 . 1 1 56 56 ILE HG12 H 1 1.102 0.020 . 2 . . . . 56 ILE HG12 . 17171 1 610 . 1 1 56 56 ILE HG13 H 1 1.423 0.020 . 2 . . . . 56 ILE HG13 . 17171 1 611 . 1 1 56 56 ILE HG21 H 1 0.897 0.020 . 1 . . . . 56 ILE HG2 . 17171 1 612 . 1 1 56 56 ILE HG22 H 1 0.897 0.020 . 1 . . . . 56 ILE HG2 . 17171 1 613 . 1 1 56 56 ILE HG23 H 1 0.897 0.020 . 1 . . . . 56 ILE HG2 . 17171 1 614 . 1 1 56 56 ILE C C 13 173.299 0.400 . 1 . . . . 56 ILE C . 17171 1 615 . 1 1 56 56 ILE CA C 13 58.911 0.400 . 1 . . . . 56 ILE CA . 17171 1 616 . 1 1 56 56 ILE CB C 13 41.896 0.400 . 1 . . . . 56 ILE CB . 17171 1 617 . 1 1 56 56 ILE CD1 C 13 13.295 0.400 . 1 . . . . 56 ILE CD1 . 17171 1 618 . 1 1 56 56 ILE CG1 C 13 26.620 0.400 . 1 . . . . 56 ILE CG1 . 17171 1 619 . 1 1 56 56 ILE CG2 C 13 17.371 0.400 . 1 . . . . 56 ILE CG2 . 17171 1 620 . 1 1 56 56 ILE N N 15 117.179 0.400 . 1 . . . . 56 ILE N . 17171 1 621 . 1 1 57 57 GLN H H 1 8.380 0.020 . 1 . . . . 57 GLN H . 17171 1 622 . 1 1 57 57 GLN HA H 1 3.873 0.020 . 1 . . . . 57 GLN HA . 17171 1 623 . 1 1 57 57 GLN HB2 H 1 2.077 0.020 . 2 . . . . 57 GLN HB2 . 17171 1 624 . 1 1 57 57 GLN HE21 H 1 6.873 0.020 . 2 . . . . 57 GLN HE21 . 17171 1 625 . 1 1 57 57 GLN HE22 H 1 6.873 0.020 . 2 . . . . 57 GLN HE22 . 17171 1 626 . 1 1 57 57 GLN C C 13 175.228 0.400 . 1 . . . . 57 GLN C . 17171 1 627 . 1 1 57 57 GLN CA C 13 56.773 0.400 . 1 . . . . 57 GLN CA . 17171 1 628 . 1 1 57 57 GLN CB C 13 29.422 0.400 . 1 . . . . 57 GLN CB . 17171 1 629 . 1 1 57 57 GLN CG C 13 32.998 0.400 . 1 . . . . 57 GLN CG . 17171 1 630 . 1 1 57 57 GLN N N 15 123.274 0.400 . 1 . . . . 57 GLN N . 17171 1 631 . 1 1 58 58 LEU H H 1 10.327 0.020 . 1 . . . . 58 LEU H . 17171 1 632 . 1 1 58 58 LEU HA H 1 4.823 0.020 . 1 . . . . 58 LEU HA . 17171 1 633 . 1 1 58 58 LEU HB2 H 1 2.147 0.020 . 2 . . . . 58 LEU HB2 . 17171 1 634 . 1 1 58 58 LEU HB3 H 1 2.049 0.020 . 2 . . . . 58 LEU HB3 . 17171 1 635 . 1 1 58 58 LEU HD11 H 1 0.986 0.020 . 2 . . . . 58 LEU HD1 . 17171 1 636 . 1 1 58 58 LEU HD12 H 1 0.986 0.020 . 2 . . . . 58 LEU HD1 . 17171 1 637 . 1 1 58 58 LEU HD13 H 1 0.986 0.020 . 2 . . . . 58 LEU HD1 . 17171 1 638 . 1 1 58 58 LEU HD21 H 1 0.986 0.020 . 2 . . . . 58 LEU HD2 . 17171 1 639 . 1 1 58 58 LEU HD22 H 1 0.986 0.020 . 2 . . . . 58 LEU HD2 . 17171 1 640 . 1 1 58 58 LEU HD23 H 1 0.986 0.020 . 2 . . . . 58 LEU HD2 . 17171 1 641 . 1 1 58 58 LEU HG H 1 1.163 0.020 . 1 . . . . 58 LEU HG . 17171 1 642 . 1 1 58 58 LEU C C 13 177.910 0.400 . 1 . . . . 58 LEU C . 17171 1 643 . 1 1 58 58 LEU CA C 13 53.852 0.400 . 1 . . . . 58 LEU CA . 17171 1 644 . 1 1 58 58 LEU CB C 13 41.379 0.400 . 1 . . . . 58 LEU CB . 17171 1 645 . 1 1 58 58 LEU N N 15 131.678 0.400 . 1 . . . . 58 LEU N . 17171 1 646 . 1 1 59 59 THR H H 1 8.413 0.020 . 1 . . . . 59 THR H . 17171 1 647 . 1 1 59 59 THR HA H 1 4.648 0.020 . 1 . . . . 59 THR HA . 17171 1 648 . 1 1 59 59 THR HB H 1 4.788 0.020 . 1 . . . . 59 THR HB . 17171 1 649 . 1 1 59 59 THR HG21 H 1 1.279 0.020 . 1 . . . . 59 THR HG2 . 17171 1 650 . 1 1 59 59 THR HG22 H 1 1.279 0.020 . 1 . . . . 59 THR HG2 . 17171 1 651 . 1 1 59 59 THR HG23 H 1 1.279 0.020 . 1 . . . . 59 THR HG2 . 17171 1 652 . 1 1 59 59 THR C C 13 176.131 0.400 . 1 . . . . 59 THR C . 17171 1 653 . 1 1 59 59 THR CA C 13 61.039 0.400 . 1 . . . . 59 THR CA . 17171 1 654 . 1 1 59 59 THR CB C 13 71.276 0.400 . 1 . . . . 59 THR CB . 17171 1 655 . 1 1 59 59 THR CG2 C 13 22.057 0.400 . 1 . . . . 59 THR CG2 . 17171 1 656 . 1 1 59 59 THR N N 15 121.110 0.400 . 1 . . . . 59 THR N . 17171 1 657 . 1 1 60 60 PHE H H 1 9.239 0.020 . 1 . . . . 60 PHE H . 17171 1 658 . 1 1 60 60 PHE HA H 1 3.394 0.020 . 1 . . . . 60 PHE HA . 17171 1 659 . 1 1 60 60 PHE HB2 H 1 2.530 0.020 . 2 . . . . 60 PHE HB2 . 17171 1 660 . 1 1 60 60 PHE HB3 H 1 2.714 0.020 . 2 . . . . 60 PHE HB3 . 17171 1 661 . 1 1 60 60 PHE HD1 H 1 6.811 0.020 . 1 . . . . 60 PHE HD1 . 17171 1 662 . 1 1 60 60 PHE HD2 H 1 6.811 0.020 . 1 . . . . 60 PHE HD2 . 17171 1 663 . 1 1 60 60 PHE C C 13 175.862 0.400 . 1 . . . . 60 PHE C . 17171 1 664 . 1 1 60 60 PHE CA C 13 60.077 0.400 . 1 . . . . 60 PHE CA . 17171 1 665 . 1 1 60 60 PHE CB C 13 38.467 0.400 . 1 . . . . 60 PHE CB . 17171 1 666 . 1 1 60 60 PHE N N 15 125.722 0.400 . 1 . . . . 60 PHE N . 17171 1 667 . 1 1 61 61 GLU H H 1 9.210 0.020 . 1 . . . . 61 GLU H . 17171 1 668 . 1 1 61 61 GLU HA H 1 3.166 0.020 . 1 . . . . 61 GLU HA . 17171 1 669 . 1 1 61 61 GLU HB2 H 1 1.738 0.020 . 2 . . . . 61 GLU HB2 . 17171 1 670 . 1 1 61 61 GLU HB3 H 1 1.921 0.020 . 2 . . . . 61 GLU HB3 . 17171 1 671 . 1 1 61 61 GLU HG2 H 1 2.099 0.020 . 2 . . . . 61 GLU HG2 . 17171 1 672 . 1 1 61 61 GLU HG3 H 1 2.425 0.020 . 2 . . . . 61 GLU HG3 . 17171 1 673 . 1 1 61 61 GLU C C 13 178.877 0.400 . 1 . . . . 61 GLU C . 17171 1 674 . 1 1 61 61 GLU CA C 13 61.113 0.400 . 1 . . . . 61 GLU CA . 17171 1 675 . 1 1 61 61 GLU CB C 13 28.333 0.400 . 1 . . . . 61 GLU CB . 17171 1 676 . 1 1 61 61 GLU CG C 13 37.547 0.400 . 1 . . . . 61 GLU CG . 17171 1 677 . 1 1 61 61 GLU N N 15 119.213 0.400 . 1 . . . . 61 GLU N . 17171 1 678 . 1 1 62 62 ALA H H 1 7.883 0.020 . 1 . . . . 62 ALA H . 17171 1 679 . 1 1 62 62 ALA HA H 1 4.001 0.020 . 1 . . . . 62 ALA HA . 17171 1 680 . 1 1 62 62 ALA HB1 H 1 1.403 0.020 . 1 . . . . 62 ALA HB . 17171 1 681 . 1 1 62 62 ALA HB2 H 1 1.403 0.020 . 1 . . . . 62 ALA HB . 17171 1 682 . 1 1 62 62 ALA HB3 H 1 1.403 0.020 . 1 . . . . 62 ALA HB . 17171 1 683 . 1 1 62 62 ALA C C 13 180.359 0.400 . 1 . . . . 62 ALA C . 17171 1 684 . 1 1 62 62 ALA CA C 13 54.711 0.400 . 1 . . . . 62 ALA CA . 17171 1 685 . 1 1 62 62 ALA CB C 13 19.056 0.400 . 1 . . . . 62 ALA CB . 17171 1 686 . 1 1 62 62 ALA N N 15 121.168 0.400 . 1 . . . . 62 ALA N . 17171 1 687 . 1 1 63 63 THR H H 1 7.551 0.020 . 1 . . . . 63 THR H . 17171 1 688 . 1 1 63 63 THR HA H 1 4.188 0.020 . 1 . . . . 63 THR HA . 17171 1 689 . 1 1 63 63 THR HB H 1 3.546 0.020 . 1 . . . . 63 THR HB . 17171 1 690 . 1 1 63 63 THR HG1 H 1 5.715 0.020 . 1 . . . . 63 THR HG1 . 17171 1 691 . 1 1 63 63 THR HG21 H 1 1.104 0.020 . 1 . . . . 63 THR HG2 . 17171 1 692 . 1 1 63 63 THR HG22 H 1 1.104 0.020 . 1 . . . . 63 THR HG2 . 17171 1 693 . 1 1 63 63 THR HG23 H 1 1.104 0.020 . 1 . . . . 63 THR HG2 . 17171 1 694 . 1 1 63 63 THR C C 13 175.978 0.400 . 1 . . . . 63 THR C . 17171 1 695 . 1 1 63 63 THR CB C 13 67.780 0.400 . 1 . . . . 63 THR CB . 17171 1 696 . 1 1 63 63 THR CG2 C 13 21.426 0.400 . 1 . . . . 63 THR CG2 . 17171 1 697 . 1 1 63 63 THR N N 15 116.716 0.400 . 1 . . . . 63 THR N . 17171 1 698 . 1 1 64 64 LEU H H 1 7.896 0.020 . 1 . . . . 64 LEU H . 17171 1 699 . 1 1 64 64 LEU HA H 1 3.737 0.020 . 1 . . . . 64 LEU HA . 17171 1 700 . 1 1 64 64 LEU HB2 H 1 0.988 0.020 . 2 . . . . 64 LEU HB2 . 17171 1 701 . 1 1 64 64 LEU HB3 H 1 1.415 0.020 . 2 . . . . 64 LEU HB3 . 17171 1 702 . 1 1 64 64 LEU HD11 H 1 0.813 0.020 . 2 . . . . 64 LEU HD1 . 17171 1 703 . 1 1 64 64 LEU HD12 H 1 0.813 0.020 . 2 . . . . 64 LEU HD1 . 17171 1 704 . 1 1 64 64 LEU HD13 H 1 0.813 0.020 . 2 . . . . 64 LEU HD1 . 17171 1 705 . 1 1 64 64 LEU HG H 1 1.399 0.020 . 1 . . . . 64 LEU HG . 17171 1 706 . 1 1 64 64 LEU C C 13 179.284 0.400 . 1 . . . . 64 LEU C . 17171 1 707 . 1 1 64 64 LEU CA C 13 58.005 0.400 . 1 . . . . 64 LEU CA . 17171 1 708 . 1 1 64 64 LEU CB C 13 41.886 0.400 . 1 . . . . 64 LEU CB . 17171 1 709 . 1 1 64 64 LEU CD1 C 13 24.950 0.400 . 1 . . . . 64 LEU CD1 . 17171 1 710 . 1 1 64 64 LEU CD2 C 13 24.804 0.400 . 1 . . . . 64 LEU CD2 . 17171 1 711 . 1 1 64 64 LEU N N 15 119.382 0.400 . 1 . . . . 64 LEU N . 17171 1 712 . 1 1 65 65 GLN H H 1 7.421 0.020 . 1 . . . . 65 GLN H . 17171 1 713 . 1 1 65 65 GLN HA H 1 3.983 0.020 . 1 . . . . 65 GLN HA . 17171 1 714 . 1 1 65 65 GLN HB2 H 1 2.085 0.020 . 2 . . . . 65 GLN HB2 . 17171 1 715 . 1 1 65 65 GLN HB3 H 1 2.085 0.020 . 2 . . . . 65 GLN HB3 . 17171 1 716 . 1 1 65 65 GLN HE21 H 1 7.383 0.020 . 2 . . . . 65 GLN HE21 . 17171 1 717 . 1 1 65 65 GLN HE22 H 1 7.457 0.020 . 2 . . . . 65 GLN HE22 . 17171 1 718 . 1 1 65 65 GLN HG2 H 1 2.397 0.020 . 2 . . . . 65 GLN HG2 . 17171 1 719 . 1 1 65 65 GLN HG3 H 1 2.445 0.020 . 2 . . . . 65 GLN HG3 . 17171 1 720 . 1 1 65 65 GLN C C 13 176.966 0.400 . 1 . . . . 65 GLN C . 17171 1 721 . 1 1 65 65 GLN CA C 13 57.754 0.400 . 1 . . . . 65 GLN CA . 17171 1 722 . 1 1 65 65 GLN CB C 13 28.924 0.400 . 1 . . . . 65 GLN CB . 17171 1 723 . 1 1 65 65 GLN CG C 13 33.953 0.400 . 1 . . . . 65 GLN CG . 17171 1 724 . 1 1 65 65 GLN N N 15 113.757 0.400 . 1 . . . . 65 GLN N . 17171 1 725 . 1 1 66 66 GLN H H 1 7.330 0.020 . 1 . . . . 66 GLN H . 17171 1 726 . 1 1 66 66 GLN HA H 1 4.362 0.020 . 1 . . . . 66 GLN HA . 17171 1 727 . 1 1 66 66 GLN HB2 H 1 1.895 0.020 . 2 . . . . 66 GLN HB2 . 17171 1 728 . 1 1 66 66 GLN HB3 H 1 1.895 0.020 . 2 . . . . 66 GLN HB3 . 17171 1 729 . 1 1 66 66 GLN HE21 H 1 7.051 0.020 . 2 . . . . 66 GLN HE21 . 17171 1 730 . 1 1 66 66 GLN HE22 H 1 7.051 0.020 . 2 . . . . 66 GLN HE22 . 17171 1 731 . 1 1 66 66 GLN HG2 H 1 2.235 0.020 . 2 . . . . 66 GLN HG2 . 17171 1 732 . 1 1 66 66 GLN HG3 H 1 2.490 0.020 . 2 . . . . 66 GLN HG3 . 17171 1 733 . 1 1 66 66 GLN C C 13 175.019 0.400 . 1 . . . . 66 GLN C . 17171 1 734 . 1 1 66 66 GLN CA C 13 55.602 0.400 . 1 . . . . 66 GLN CA . 17171 1 735 . 1 1 66 66 GLN CB C 13 30.846 0.400 . 1 . . . . 66 GLN CB . 17171 1 736 . 1 1 66 66 GLN CG C 13 34.980 0.400 . 1 . . . . 66 GLN CG . 17171 1 737 . 1 1 66 66 GLN N N 15 115.533 0.400 . 1 . . . . 66 GLN N . 17171 1 738 . 1 1 67 67 LEU H H 1 7.319 0.020 . 1 . . . . 67 LEU H . 17171 1 739 . 1 1 67 67 LEU HA H 1 4.521 0.020 . 1 . . . . 67 LEU HA . 17171 1 740 . 1 1 67 67 LEU HB2 H 1 1.338 0.020 . 2 . . . . 67 LEU HB2 . 17171 1 741 . 1 1 67 67 LEU HB3 H 1 1.809 0.020 . 2 . . . . 67 LEU HB3 . 17171 1 742 . 1 1 67 67 LEU HD11 H 1 0.909 0.020 . 2 . . . . 67 LEU HD1 . 17171 1 743 . 1 1 67 67 LEU HD12 H 1 0.909 0.020 . 2 . . . . 67 LEU HD1 . 17171 1 744 . 1 1 67 67 LEU HD13 H 1 0.909 0.020 . 2 . . . . 67 LEU HD1 . 17171 1 745 . 1 1 67 67 LEU HG H 1 1.928 0.020 . 1 . . . . 67 LEU HG . 17171 1 746 . 1 1 67 67 LEU C C 13 175.083 0.400 . 1 . . . . 67 LEU C . 17171 1 747 . 1 1 67 67 LEU CA C 13 54.431 0.400 . 1 . . . . 67 LEU CA . 17171 1 748 . 1 1 67 67 LEU CB C 13 44.461 0.400 . 1 . . . . 67 LEU CB . 17171 1 749 . 1 1 67 67 LEU CD1 C 13 27.858 0.400 . 1 . . . . 67 LEU CD1 . 17171 1 750 . 1 1 67 67 LEU CG C 13 26.669 0.400 . 1 . . . . 67 LEU CG . 17171 1 751 . 1 1 67 67 LEU N N 15 121.962 0.400 . 1 . . . . 67 LEU N . 17171 1 752 . 1 1 68 68 GLU H H 1 9.091 0.020 . 1 . . . . 68 GLU H . 17171 1 753 . 1 1 68 68 GLU HA H 1 4.314 0.020 . 1 . . . . 68 GLU HA . 17171 1 754 . 1 1 68 68 GLU HB2 H 1 2.121 0.020 . 2 . . . . 68 GLU HB2 . 17171 1 755 . 1 1 68 68 GLU HB3 H 1 2.167 0.020 . 2 . . . . 68 GLU HB3 . 17171 1 756 . 1 1 68 68 GLU HG2 H 1 2.380 0.020 . 2 . . . . 68 GLU HG2 . 17171 1 757 . 1 1 68 68 GLU HG3 H 1 2.450 0.020 . 2 . . . . 68 GLU HG3 . 17171 1 758 . 1 1 68 68 GLU C C 13 175.991 0.400 . 1 . . . . 68 GLU C . 17171 1 759 . 1 1 68 68 GLU CA C 13 55.487 0.400 . 1 . . . . 68 GLU CA . 17171 1 760 . 1 1 68 68 GLU CB C 13 31.229 0.400 . 1 . . . . 68 GLU CB . 17171 1 761 . 1 1 68 68 GLU CG C 13 36.634 0.400 . 1 . . . . 68 GLU CG . 17171 1 762 . 1 1 68 68 GLU N N 15 122.807 0.400 . 1 . . . . 68 GLU N . 17171 1 763 . 1 1 69 69 ALA H H 1 8.468 0.020 . 1 . . . . 69 ALA H . 17171 1 764 . 1 1 69 69 ALA HA H 1 4.211 0.020 . 1 . . . . 69 ALA HA . 17171 1 765 . 1 1 69 69 ALA HB1 H 1 1.302 0.020 . 1 . . . . 69 ALA HB . 17171 1 766 . 1 1 69 69 ALA HB2 H 1 1.302 0.020 . 1 . . . . 69 ALA HB . 17171 1 767 . 1 1 69 69 ALA HB3 H 1 1.302 0.020 . 1 . . . . 69 ALA HB . 17171 1 768 . 1 1 69 69 ALA CA C 13 51.626 0.400 . 1 . . . . 69 ALA CA . 17171 1 769 . 1 1 69 69 ALA CB C 13 17.350 0.400 . 1 . . . . 69 ALA CB . 17171 1 770 . 1 1 69 69 ALA N N 15 124.280 0.400 . 1 . . . . 69 ALA N . 17171 1 771 . 1 1 70 70 PRO HA H 1 4.524 0.020 . 1 . . . . 70 PRO HA . 17171 1 772 . 1 1 70 70 PRO HB2 H 1 1.995 0.020 . 2 . . . . 70 PRO HB2 . 17171 1 773 . 1 1 70 70 PRO HB3 H 1 2.125 0.020 . 2 . . . . 70 PRO HB3 . 17171 1 774 . 1 1 70 70 PRO HD2 H 1 2.647 0.020 . 2 . . . . 70 PRO HD2 . 17171 1 775 . 1 1 70 70 PRO HD3 H 1 3.129 0.020 . 2 . . . . 70 PRO HD3 . 17171 1 776 . 1 1 70 70 PRO HG2 H 1 1.598 0.020 . 2 . . . . 70 PRO HG2 . 17171 1 777 . 1 1 70 70 PRO HG3 H 1 1.598 0.020 . 2 . . . . 70 PRO HG3 . 17171 1 778 . 1 1 70 70 PRO C C 13 176.687 0.400 . 1 . . . . 70 PRO C . 17171 1 779 . 1 1 70 70 PRO CA C 13 63.726 0.400 . 1 . . . . 70 PRO CA . 17171 1 780 . 1 1 70 70 PRO CB C 13 33.686 0.400 . 1 . . . . 70 PRO CB . 17171 1 781 . 1 1 70 70 PRO CD C 13 49.550 0.400 . 1 . . . . 70 PRO CD . 17171 1 782 . 1 1 70 70 PRO CG C 13 23.521 0.400 . 1 . . . . 70 PRO CG . 17171 1 783 . 1 1 71 71 TYR H H 1 8.023 0.020 . 1 . . . . 71 TYR H . 17171 1 784 . 1 1 71 71 TYR HA H 1 4.076 0.020 . 1 . . . . 71 TYR HA . 17171 1 785 . 1 1 71 71 TYR HB2 H 1 2.977 0.020 . 2 . . . . 71 TYR HB2 . 17171 1 786 . 1 1 71 71 TYR HB3 H 1 3.134 0.020 . 2 . . . . 71 TYR HB3 . 17171 1 787 . 1 1 71 71 TYR HD1 H 1 6.814 0.020 . 1 . . . . 71 TYR HD1 . 17171 1 788 . 1 1 71 71 TYR HD2 H 1 6.814 0.020 . 1 . . . . 71 TYR HD2 . 17171 1 789 . 1 1 71 71 TYR HE1 H 1 6.324 0.020 . 1 . . . . 71 TYR HE1 . 17171 1 790 . 1 1 71 71 TYR HE2 H 1 6.324 0.020 . 1 . . . . 71 TYR HE2 . 17171 1 791 . 1 1 71 71 TYR C C 13 174.329 0.400 . 1 . . . . 71 TYR C . 17171 1 792 . 1 1 71 71 TYR CA C 13 60.785 0.400 . 1 . . . . 71 TYR CA . 17171 1 793 . 1 1 71 71 TYR CB C 13 37.479 0.400 . 1 . . . . 71 TYR CB . 17171 1 794 . 1 1 71 71 TYR N N 15 126.954 0.400 . 1 . . . . 71 TYR N . 17171 1 795 . 1 1 72 72 ASN H H 1 7.647 0.020 . 1 . . . . 72 ASN H . 17171 1 796 . 1 1 72 72 ASN HA H 1 4.212 0.020 . 1 . . . . 72 ASN HA . 17171 1 797 . 1 1 72 72 ASN HB2 H 1 2.623 0.020 . 2 . . . . 72 ASN HB2 . 17171 1 798 . 1 1 72 72 ASN HB3 H 1 3.065 0.020 . 2 . . . . 72 ASN HB3 . 17171 1 799 . 1 1 72 72 ASN HD21 H 1 7.611 0.020 . 2 . . . . 72 ASN HD21 . 17171 1 800 . 1 1 72 72 ASN HD22 H 1 7.696 0.020 . 2 . . . . 72 ASN HD22 . 17171 1 801 . 1 1 72 72 ASN C C 13 175.818 0.400 . 1 . . . . 72 ASN C . 17171 1 802 . 1 1 72 72 ASN CA C 13 52.021 0.400 . 1 . . . . 72 ASN CA . 17171 1 803 . 1 1 72 72 ASN CB C 13 37.346 0.400 . 1 . . . . 72 ASN CB . 17171 1 804 . 1 1 72 72 ASN N N 15 112.855 0.400 . 1 . . . . 72 ASN N . 17171 1 805 . 1 1 73 73 SER H H 1 7.473 0.020 . 1 . . . . 73 SER H . 17171 1 806 . 1 1 73 73 SER HA H 1 4.086 0.020 . 1 . . . . 73 SER HA . 17171 1 807 . 1 1 73 73 SER HB2 H 1 3.914 0.020 . 2 . . . . 73 SER HB2 . 17171 1 808 . 1 1 73 73 SER HB3 H 1 3.914 0.020 . 2 . . . . 73 SER HB3 . 17171 1 809 . 1 1 73 73 SER C C 13 174.539 0.400 . 1 . . . . 73 SER C . 17171 1 810 . 1 1 73 73 SER CA C 13 61.204 0.400 . 1 . . . . 73 SER CA . 17171 1 811 . 1 1 73 73 SER CB C 13 63.877 0.400 . 1 . . . . 73 SER CB . 17171 1 812 . 1 1 73 73 SER N N 15 113.425 0.400 . 1 . . . . 73 SER N . 17171 1 813 . 1 1 74 74 ASP H H 1 8.131 0.020 . 1 . . . . 74 ASP H . 17171 1 814 . 1 1 74 74 ASP HA H 1 5.019 0.020 . 1 . . . . 74 ASP HA . 17171 1 815 . 1 1 74 74 ASP HB2 H 1 2.474 0.020 . 2 . . . . 74 ASP HB2 . 17171 1 816 . 1 1 74 74 ASP HB3 H 1 3.106 0.020 . 2 . . . . 74 ASP HB3 . 17171 1 817 . 1 1 74 74 ASP C C 13 176.871 0.400 . 1 . . . . 74 ASP C . 17171 1 818 . 1 1 74 74 ASP CA C 13 52.014 0.400 . 1 . . . . 74 ASP CA . 17171 1 819 . 1 1 74 74 ASP CB C 13 40.123 0.400 . 1 . . . . 74 ASP CB . 17171 1 820 . 1 1 74 74 ASP N N 15 121.466 0.400 . 1 . . . . 74 ASP N . 17171 1 821 . 1 1 75 75 THR H H 1 8.370 0.020 . 1 . . . . 75 THR H . 17171 1 822 . 1 1 75 75 THR HA H 1 3.808 0.020 . 1 . . . . 75 THR HA . 17171 1 823 . 1 1 75 75 THR HB H 1 4.448 0.020 . 1 . . . . 75 THR HB . 17171 1 824 . 1 1 75 75 THR HG21 H 1 1.446 0.020 . 1 . . . . 75 THR HG2 . 17171 1 825 . 1 1 75 75 THR HG22 H 1 1.446 0.020 . 1 . . . . 75 THR HG2 . 17171 1 826 . 1 1 75 75 THR HG23 H 1 1.446 0.020 . 1 . . . . 75 THR HG2 . 17171 1 827 . 1 1 75 75 THR C C 13 176.678 0.400 . 1 . . . . 75 THR C . 17171 1 828 . 1 1 75 75 THR CA C 13 65.986 0.400 . 1 . . . . 75 THR CA . 17171 1 829 . 1 1 75 75 THR CB C 13 68.270 0.400 . 1 . . . . 75 THR CB . 17171 1 830 . 1 1 75 75 THR CG2 C 13 22.944 0.400 . 1 . . . . 75 THR CG2 . 17171 1 831 . 1 1 75 75 THR N N 15 115.974 0.400 . 1 . . . . 75 THR N . 17171 1 832 . 1 1 76 76 VAL H H 1 7.968 0.020 . 1 . . . . 76 VAL H . 17171 1 833 . 1 1 76 76 VAL HA H 1 3.771 0.020 . 1 . . . . 76 VAL HA . 17171 1 834 . 1 1 76 76 VAL HB H 1 2.266 0.020 . 1 . . . . 76 VAL HB . 17171 1 835 . 1 1 76 76 VAL HG11 H 1 1.046 0.020 . 2 . . . . 76 VAL HG1 . 17171 1 836 . 1 1 76 76 VAL HG12 H 1 1.046 0.020 . 2 . . . . 76 VAL HG1 . 17171 1 837 . 1 1 76 76 VAL HG13 H 1 1.046 0.020 . 2 . . . . 76 VAL HG1 . 17171 1 838 . 1 1 76 76 VAL HG21 H 1 0.953 0.020 . 2 . . . . 76 VAL HG2 . 17171 1 839 . 1 1 76 76 VAL HG22 H 1 0.953 0.020 . 2 . . . . 76 VAL HG2 . 17171 1 840 . 1 1 76 76 VAL HG23 H 1 0.953 0.020 . 2 . . . . 76 VAL HG2 . 17171 1 841 . 1 1 76 76 VAL C C 13 178.610 0.400 . 1 . . . . 76 VAL C . 17171 1 842 . 1 1 76 76 VAL CA C 13 66.342 0.400 . 1 . . . . 76 VAL CA . 17171 1 843 . 1 1 76 76 VAL CB C 13 31.281 0.400 . 1 . . . . 76 VAL CB . 17171 1 844 . 1 1 76 76 VAL CG1 C 13 22.723 0.400 . 1 . . . . 76 VAL CG1 . 17171 1 845 . 1 1 76 76 VAL CG2 C 13 21.045 0.400 . 1 . . . . 76 VAL CG2 . 17171 1 846 . 1 1 76 76 VAL N N 15 124.048 0.400 . 1 . . . . 76 VAL N . 17171 1 847 . 1 1 77 77 LEU H H 1 7.791 0.020 . 1 . . . . 77 LEU H . 17171 1 848 . 1 1 77 77 LEU HA H 1 4.217 0.020 . 1 . . . . 77 LEU HA . 17171 1 849 . 1 1 77 77 LEU HB2 H 1 1.651 0.020 . 2 . . . . 77 LEU HB2 . 17171 1 850 . 1 1 77 77 LEU HB3 H 1 1.881 0.020 . 2 . . . . 77 LEU HB3 . 17171 1 851 . 1 1 77 77 LEU HD11 H 1 1.018 0.020 . 2 . . . . 77 LEU HD1 . 17171 1 852 . 1 1 77 77 LEU HD12 H 1 1.018 0.020 . 2 . . . . 77 LEU HD1 . 17171 1 853 . 1 1 77 77 LEU HD13 H 1 1.018 0.020 . 2 . . . . 77 LEU HD1 . 17171 1 854 . 1 1 77 77 LEU HD21 H 1 1.135 0.020 . 2 . . . . 77 LEU HD2 . 17171 1 855 . 1 1 77 77 LEU HD22 H 1 1.135 0.020 . 2 . . . . 77 LEU HD2 . 17171 1 856 . 1 1 77 77 LEU HD23 H 1 1.135 0.020 . 2 . . . . 77 LEU HD2 . 17171 1 857 . 1 1 77 77 LEU HG H 1 1.559 0.020 . 1 . . . . 77 LEU HG . 17171 1 858 . 1 1 77 77 LEU C C 13 178.998 0.400 . 1 . . . . 77 LEU C . 17171 1 859 . 1 1 77 77 LEU CA C 13 58.381 0.400 . 1 . . . . 77 LEU CA . 17171 1 860 . 1 1 77 77 LEU CB C 13 40.865 0.400 . 1 . . . . 77 LEU CB . 17171 1 861 . 1 1 77 77 LEU CD1 C 13 26.444 0.400 . 1 . . . . 77 LEU CD1 . 17171 1 862 . 1 1 77 77 LEU CD2 C 13 23.011 0.400 . 1 . . . . 77 LEU CD2 . 17171 1 863 . 1 1 77 77 LEU CG C 13 27.598 0.400 . 1 . . . . 77 LEU CG . 17171 1 864 . 1 1 77 77 LEU N N 15 122.284 0.400 . 1 . . . . 77 LEU N . 17171 1 865 . 1 1 78 78 VAL H H 1 7.921 0.020 . 1 . . . . 78 VAL H . 17171 1 866 . 1 1 78 78 VAL HA H 1 3.834 0.020 . 1 . . . . 78 VAL HA . 17171 1 867 . 1 1 78 78 VAL HB H 1 2.355 0.020 . 1 . . . . 78 VAL HB . 17171 1 868 . 1 1 78 78 VAL HG11 H 1 0.970 0.020 . 2 . . . . 78 VAL HG1 . 17171 1 869 . 1 1 78 78 VAL HG12 H 1 0.970 0.020 . 2 . . . . 78 VAL HG1 . 17171 1 870 . 1 1 78 78 VAL HG13 H 1 0.970 0.020 . 2 . . . . 78 VAL HG1 . 17171 1 871 . 1 1 78 78 VAL HG21 H 1 1.129 0.020 . 2 . . . . 78 VAL HG2 . 17171 1 872 . 1 1 78 78 VAL HG22 H 1 1.129 0.020 . 2 . . . . 78 VAL HG2 . 17171 1 873 . 1 1 78 78 VAL HG23 H 1 1.129 0.020 . 2 . . . . 78 VAL HG2 . 17171 1 874 . 1 1 78 78 VAL C C 13 177.508 0.400 . 1 . . . . 78 VAL C . 17171 1 875 . 1 1 78 78 VAL CA C 13 67.533 0.400 . 1 . . . . 78 VAL CA . 17171 1 876 . 1 1 78 78 VAL CB C 13 31.548 0.400 . 1 . . . . 78 VAL CB . 17171 1 877 . 1 1 78 78 VAL CG1 C 13 21.791 0.400 . 1 . . . . 78 VAL CG1 . 17171 1 878 . 1 1 78 78 VAL CG2 C 13 22.960 0.400 . 1 . . . . 78 VAL CG2 . 17171 1 879 . 1 1 78 78 VAL N N 15 115.704 0.400 . 1 . . . . 78 VAL N . 17171 1 880 . 1 1 79 79 HIS H H 1 8.456 0.020 . 1 . . . . 79 HIS H . 17171 1 881 . 1 1 79 79 HIS HA H 1 3.975 0.020 . 1 . . . . 79 HIS HA . 17171 1 882 . 1 1 79 79 HIS HB2 H 1 2.788 0.020 . 2 . . . . 79 HIS HB2 . 17171 1 883 . 1 1 79 79 HIS HB3 H 1 3.257 0.020 . 2 . . . . 79 HIS HB3 . 17171 1 884 . 1 1 79 79 HIS HD2 H 1 7.203 0.020 . 1 . . . . 79 HIS HD2 . 17171 1 885 . 1 1 79 79 HIS HE1 H 1 6.823 0.020 . 1 . . . . 79 HIS HE1 . 17171 1 886 . 1 1 79 79 HIS C C 13 178.219 0.400 . 1 . . . . 79 HIS C . 17171 1 887 . 1 1 79 79 HIS CA C 13 59.833 0.400 . 1 . . . . 79 HIS CA . 17171 1 888 . 1 1 79 79 HIS CB C 13 29.159 0.400 . 1 . . . . 79 HIS CB . 17171 1 889 . 1 1 79 79 HIS N N 15 119.990 0.400 . 1 . . . . 79 HIS N . 17171 1 890 . 1 1 80 80 ARG H H 1 9.020 0.020 . 1 . . . . 80 ARG H . 17171 1 891 . 1 1 80 80 ARG HA H 1 4.184 0.020 . 1 . . . . 80 ARG HA . 17171 1 892 . 1 1 80 80 ARG HB2 H 1 2.441 0.020 . 2 . . . . 80 ARG HB2 . 17171 1 893 . 1 1 80 80 ARG HB3 H 1 2.288 0.020 . 2 . . . . 80 ARG HB3 . 17171 1 894 . 1 1 80 80 ARG HD2 H 1 3.122 0.020 . 2 . . . . 80 ARG HD2 . 17171 1 895 . 1 1 80 80 ARG HD3 H 1 3.374 0.020 . 2 . . . . 80 ARG HD3 . 17171 1 896 . 1 1 80 80 ARG HG2 H 1 2.321 0.020 . 2 . . . . 80 ARG HG2 . 17171 1 897 . 1 1 80 80 ARG HG3 H 1 1.757 0.020 . 2 . . . . 80 ARG HG3 . 17171 1 898 . 1 1 80 80 ARG C C 13 180.914 0.400 . 1 . . . . 80 ARG C . 17171 1 899 . 1 1 80 80 ARG CA C 13 60.079 0.400 . 1 . . . . 80 ARG CA . 17171 1 900 . 1 1 80 80 ARG CB C 13 32.982 0.400 . 1 . . . . 80 ARG CB . 17171 1 901 . 1 1 80 80 ARG CD C 13 45.040 0.400 . 1 . . . . 80 ARG CD . 17171 1 902 . 1 1 80 80 ARG CG C 13 27.112 0.400 . 1 . . . . 80 ARG CG . 17171 1 903 . 1 1 80 80 ARG N N 15 119.670 0.400 . 1 . . . . 80 ARG N . 17171 1 904 . 1 1 81 81 VAL H H 1 8.798 0.020 . 1 . . . . 81 VAL H . 17171 1 905 . 1 1 81 81 VAL HA H 1 3.836 0.020 . 1 . . . . 81 VAL HA . 17171 1 906 . 1 1 81 81 VAL HB H 1 2.131 0.020 . 1 . . . . 81 VAL HB . 17171 1 907 . 1 1 81 81 VAL HG11 H 1 0.772 0.020 . 2 . . . . 81 VAL HG1 . 17171 1 908 . 1 1 81 81 VAL HG12 H 1 0.772 0.020 . 2 . . . . 81 VAL HG1 . 17171 1 909 . 1 1 81 81 VAL HG13 H 1 0.772 0.020 . 2 . . . . 81 VAL HG1 . 17171 1 910 . 1 1 81 81 VAL HG21 H 1 0.583 0.020 . 2 . . . . 81 VAL HG2 . 17171 1 911 . 1 1 81 81 VAL HG22 H 1 0.583 0.020 . 2 . . . . 81 VAL HG2 . 17171 1 912 . 1 1 81 81 VAL HG23 H 1 0.583 0.020 . 2 . . . . 81 VAL HG2 . 17171 1 913 . 1 1 81 81 VAL C C 13 176.654 0.400 . 1 . . . . 81 VAL C . 17171 1 914 . 1 1 81 81 VAL CA C 13 67.948 0.400 . 1 . . . . 81 VAL CA . 17171 1 915 . 1 1 81 81 VAL CB C 13 31.711 0.400 . 1 . . . . 81 VAL CB . 17171 1 916 . 1 1 81 81 VAL CG1 C 13 23.258 0.400 . 1 . . . . 81 VAL CG1 . 17171 1 917 . 1 1 81 81 VAL CG2 C 13 21.108 0.400 . 1 . . . . 81 VAL CG2 . 17171 1 918 . 1 1 81 81 VAL N N 15 121.966 0.400 . 1 . . . . 81 VAL N . 17171 1 919 . 1 1 82 82 HIS H H 1 8.820 0.020 . 1 . . . . 82 HIS H . 17171 1 920 . 1 1 82 82 HIS HA H 1 3.793 0.020 . 1 . . . . 82 HIS HA . 17171 1 921 . 1 1 82 82 HIS HB2 H 1 3.293 0.020 . 2 . . . . 82 HIS HB2 . 17171 1 922 . 1 1 82 82 HIS HB3 H 1 3.325 0.020 . 2 . . . . 82 HIS HB3 . 17171 1 923 . 1 1 82 82 HIS HD2 H 1 6.830 0.020 . 1 . . . . 82 HIS HD2 . 17171 1 924 . 1 1 82 82 HIS HE1 H 1 7.184 0.020 . 1 . . . . 82 HIS HE1 . 17171 1 925 . 1 1 82 82 HIS C C 13 176.736 0.400 . 1 . . . . 82 HIS C . 17171 1 926 . 1 1 82 82 HIS CA C 13 63.329 0.400 . 1 . . . . 82 HIS CA . 17171 1 927 . 1 1 82 82 HIS CB C 13 31.741 0.400 . 1 . . . . 82 HIS CB . 17171 1 928 . 1 1 82 82 HIS N N 15 121.426 0.400 . 1 . . . . 82 HIS N . 17171 1 929 . 1 1 83 83 SER H H 1 8.812 0.020 . 1 . . . . 83 SER H . 17171 1 930 . 1 1 83 83 SER HA H 1 4.318 0.020 . 1 . . . . 83 SER HA . 17171 1 931 . 1 1 83 83 SER HB2 H 1 3.948 0.020 . 2 . . . . 83 SER HB2 . 17171 1 932 . 1 1 83 83 SER HB3 H 1 4.022 0.020 . 2 . . . . 83 SER HB3 . 17171 1 933 . 1 1 83 83 SER C C 13 177.038 0.400 . 1 . . . . 83 SER C . 17171 1 934 . 1 1 83 83 SER CA C 13 61.655 0.400 . 1 . . . . 83 SER CA . 17171 1 935 . 1 1 83 83 SER CB C 13 63.521 0.400 . 1 . . . . 83 SER CB . 17171 1 936 . 1 1 83 83 SER N N 15 111.642 0.400 . 1 . . . . 83 SER N . 17171 1 937 . 1 1 84 84 TYR H H 1 8.192 0.020 . 1 . . . . 84 TYR H . 17171 1 938 . 1 1 84 84 TYR HA H 1 4.434 0.020 . 1 . . . . 84 TYR HA . 17171 1 939 . 1 1 84 84 TYR HB2 H 1 3.646 0.020 . 2 . . . . 84 TYR HB2 . 17171 1 940 . 1 1 84 84 TYR HB3 H 1 3.646 0.020 . 2 . . . . 84 TYR HB3 . 17171 1 941 . 1 1 84 84 TYR HD1 H 1 7.173 0.020 . 1 . . . . 84 TYR HD1 . 17171 1 942 . 1 1 84 84 TYR HD2 H 1 7.173 0.020 . 1 . . . . 84 TYR HD2 . 17171 1 943 . 1 1 84 84 TYR CA C 13 61.600 0.400 . 1 . . . . 84 TYR CA . 17171 1 944 . 1 1 84 84 TYR CB C 13 38.366 0.400 . 1 . . . . 84 TYR CB . 17171 1 945 . 1 1 84 84 TYR N N 15 122.862 0.400 . 1 . . . . 84 TYR N . 17171 1 946 . 1 1 85 85 LEU H H 1 8.487 0.020 . 1 . . . . 85 LEU H . 17171 1 947 . 1 1 85 85 LEU HA H 1 3.628 0.020 . 1 . . . . 85 LEU HA . 17171 1 948 . 1 1 85 85 LEU HB2 H 1 2.131 0.020 . 2 . . . . 85 LEU HB2 . 17171 1 949 . 1 1 85 85 LEU HB3 H 1 2.131 0.020 . 2 . . . . 85 LEU HB3 . 17171 1 950 . 1 1 85 85 LEU HD11 H 1 0.837 0.020 . 2 . . . . 85 LEU HD1 . 17171 1 951 . 1 1 85 85 LEU HD12 H 1 0.837 0.020 . 2 . . . . 85 LEU HD1 . 17171 1 952 . 1 1 85 85 LEU HD13 H 1 0.837 0.020 . 2 . . . . 85 LEU HD1 . 17171 1 953 . 1 1 85 85 LEU HD21 H 1 0.837 0.020 . 2 . . . . 85 LEU HD2 . 17171 1 954 . 1 1 85 85 LEU HD22 H 1 0.837 0.020 . 2 . . . . 85 LEU HD2 . 17171 1 955 . 1 1 85 85 LEU HD23 H 1 0.837 0.020 . 2 . . . . 85 LEU HD2 . 17171 1 956 . 1 1 85 85 LEU HG H 1 1.854 0.020 . 1 . . . . 85 LEU HG . 17171 1 957 . 1 1 85 85 LEU C C 13 179.036 0.400 . 1 . . . . 85 LEU C . 17171 1 958 . 1 1 85 85 LEU CA C 13 57.868 0.400 . 1 . . . . 85 LEU CA . 17171 1 959 . 1 1 85 85 LEU CB C 13 41.842 0.400 . 1 . . . . 85 LEU CB . 17171 1 960 . 1 1 85 85 LEU N N 15 121.305 0.400 . 1 . . . . 85 LEU N . 17171 1 961 . 1 1 86 86 GLU H H 1 8.239 0.020 . 1 . . . . 86 GLU H . 17171 1 962 . 1 1 86 86 GLU HA H 1 3.830 0.020 . 1 . . . . 86 GLU HA . 17171 1 963 . 1 1 86 86 GLU HB2 H 1 1.794 0.020 . 2 . . . . 86 GLU HB2 . 17171 1 964 . 1 1 86 86 GLU HB3 H 1 1.935 0.020 . 2 . . . . 86 GLU HB3 . 17171 1 965 . 1 1 86 86 GLU HG2 H 1 2.041 0.020 . 2 . . . . 86 GLU HG2 . 17171 1 966 . 1 1 86 86 GLU HG3 H 1 2.041 0.020 . 2 . . . . 86 GLU HG3 . 17171 1 967 . 1 1 86 86 GLU C C 13 180.394 0.400 . 1 . . . . 86 GLU C . 17171 1 968 . 1 1 86 86 GLU CA C 13 59.782 0.400 . 1 . . . . 86 GLU CA . 17171 1 969 . 1 1 86 86 GLU CB C 13 30.452 0.400 . 1 . . . . 86 GLU CB . 17171 1 970 . 1 1 86 86 GLU CG C 13 37.780 0.400 . 1 . . . . 86 GLU CG . 17171 1 971 . 1 1 86 86 GLU N N 15 119.584 0.400 . 1 . . . . 86 GLU N . 17171 1 972 . 1 1 87 87 ARG H H 1 8.878 0.020 . 1 . . . . 87 ARG H . 17171 1 973 . 1 1 87 87 ARG HA H 1 4.013 0.020 . 1 . . . . 87 ARG HA . 17171 1 974 . 1 1 87 87 ARG HB2 H 1 1.704 0.020 . 2 . . . . 87 ARG HB2 . 17171 1 975 . 1 1 87 87 ARG HB3 H 1 1.902 0.020 . 2 . . . . 87 ARG HB3 . 17171 1 976 . 1 1 87 87 ARG HD2 H 1 3.119 0.020 . 2 . . . . 87 ARG HD2 . 17171 1 977 . 1 1 87 87 ARG HD3 H 1 3.119 0.020 . 2 . . . . 87 ARG HD3 . 17171 1 978 . 1 1 87 87 ARG HG2 H 1 1.477 0.020 . 2 . . . . 87 ARG HG2 . 17171 1 979 . 1 1 87 87 ARG HG3 H 1 1.477 0.020 . 2 . . . . 87 ARG HG3 . 17171 1 980 . 1 1 87 87 ARG CA C 13 58.906 0.400 . 1 . . . . 87 ARG CA . 17171 1 981 . 1 1 87 87 ARG CB C 13 29.814 0.400 . 1 . . . . 87 ARG CB . 17171 1 982 . 1 1 87 87 ARG CD C 13 43.296 0.400 . 1 . . . . 87 ARG CD . 17171 1 983 . 1 1 87 87 ARG N N 15 121.187 0.400 . 1 . . . . 87 ARG N . 17171 1 984 . 1 1 88 88 HIS H H 1 7.472 0.020 . 1 . . . . 88 HIS H . 17171 1 985 . 1 1 88 88 HIS HA H 1 4.407 0.020 . 1 . . . . 88 HIS HA . 17171 1 986 . 1 1 88 88 HIS HB2 H 1 2.364 0.020 . 2 . . . . 88 HIS HB2 . 17171 1 987 . 1 1 88 88 HIS HB3 H 1 3.348 0.020 . 2 . . . . 88 HIS HB3 . 17171 1 988 . 1 1 88 88 HIS HD2 H 1 6.554 0.020 . 1 . . . . 88 HIS HD2 . 17171 1 989 . 1 1 88 88 HIS C C 13 174.400 0.400 . 1 . . . . 88 HIS C . 17171 1 990 . 1 1 88 88 HIS CA C 13 57.068 0.400 . 1 . . . . 88 HIS CA . 17171 1 991 . 1 1 88 88 HIS CB C 13 28.126 0.400 . 1 . . . . 88 HIS CB . 17171 1 992 . 1 1 89 89 GLY H H 1 7.606 0.020 . 1 . . . . 89 GLY H . 17171 1 993 . 1 1 89 89 GLY HA2 H 1 3.732 0.020 . 2 . . . . 89 GLY HA2 . 17171 1 994 . 1 1 89 89 GLY HA3 H 1 3.864 0.020 . 2 . . . . 89 GLY HA3 . 17171 1 995 . 1 1 89 89 GLY C C 13 173.547 0.400 . 1 . . . . 89 GLY C . 17171 1 996 . 1 1 89 89 GLY CA C 13 46.652 0.400 . 1 . . . . 89 GLY CA . 17171 1 997 . 1 1 89 89 GLY N N 15 107.425 0.400 . 1 . . . . 89 GLY N . 17171 1 998 . 1 1 90 90 LEU H H 1 8.126 0.020 . 1 . . . . 90 LEU H . 17171 1 999 . 1 1 90 90 LEU HA H 1 4.166 0.020 . 1 . . . . 90 LEU HA . 17171 1 1000 . 1 1 90 90 LEU HB2 H 1 1.444 0.020 . 2 . . . . 90 LEU HB2 . 17171 1 1001 . 1 1 90 90 LEU HB3 H 1 1.584 0.020 . 2 . . . . 90 LEU HB3 . 17171 1 1002 . 1 1 90 90 LEU HD11 H 1 0.851 0.020 . 2 . . . . 90 LEU HD1 . 17171 1 1003 . 1 1 90 90 LEU HD12 H 1 0.851 0.020 . 2 . . . . 90 LEU HD1 . 17171 1 1004 . 1 1 90 90 LEU HD13 H 1 0.851 0.020 . 2 . . . . 90 LEU HD1 . 17171 1 1005 . 1 1 90 90 LEU HD21 H 1 0.851 0.020 . 2 . . . . 90 LEU HD2 . 17171 1 1006 . 1 1 90 90 LEU HD22 H 1 0.851 0.020 . 2 . . . . 90 LEU HD2 . 17171 1 1007 . 1 1 90 90 LEU HD23 H 1 0.851 0.020 . 2 . . . . 90 LEU HD2 . 17171 1 1008 . 1 1 90 90 LEU HG H 1 1.626 0.020 . 1 . . . . 90 LEU HG . 17171 1 1009 . 1 1 90 90 LEU C C 13 176.052 0.400 . 1 . . . . 90 LEU C . 17171 1 1010 . 1 1 90 90 LEU CA C 13 56.109 0.400 . 1 . . . . 90 LEU CA . 17171 1 1011 . 1 1 90 90 LEU CB C 13 43.434 0.400 . 1 . . . . 90 LEU CB . 17171 1 1012 . 1 1 90 90 LEU CD1 C 13 23.685 0.400 . 1 . . . . 90 LEU CD1 . 17171 1 1013 . 1 1 90 90 LEU CG C 13 27.241 0.400 . 1 . . . . 90 LEU CG . 17171 1 1014 . 1 1 90 90 LEU N N 15 117.527 0.400 . 1 . . . . 90 LEU N . 17171 1 1015 . 1 1 91 91 ILE H H 1 6.558 0.020 . 1 . . . . 91 ILE H . 17171 1 1016 . 1 1 91 91 ILE HA H 1 3.839 0.020 . 1 . . . . 91 ILE HA . 17171 1 1017 . 1 1 91 91 ILE CA C 13 57.964 0.400 . 1 . . . . 91 ILE CA . 17171 1 1018 . 1 1 91 91 ILE CB C 13 42.121 0.400 . 1 . . . . 91 ILE CB . 17171 1 1019 . 1 1 91 91 ILE N N 15 104.299 0.400 . 1 . . . . 91 ILE N . 17171 1 1020 . 1 1 92 92 ASN H H 1 6.440 0.020 . 1 . . . . 92 ASN H . 17171 1 1021 . 1 1 92 92 ASN HA H 1 3.326 0.020 . 1 . . . . 92 ASN HA . 17171 1 1022 . 1 1 92 92 ASN HB2 H 1 2.576 0.020 . 2 . . . . 92 ASN HB2 . 17171 1 1023 . 1 1 92 92 ASN HB3 H 1 2.576 0.020 . 2 . . . . 92 ASN HB3 . 17171 1 1024 . 1 1 92 92 ASN C C 13 172.274 0.400 . 1 . . . . 92 ASN C . 17171 1 1025 . 1 1 92 92 ASN CA C 13 54.320 0.400 . 1 . . . . 92 ASN CA . 17171 1 1026 . 1 1 92 92 ASN CB C 13 35.785 0.400 . 1 . . . . 92 ASN CB . 17171 1 1027 . 1 1 93 93 PHE H H 1 6.326 0.020 . 1 . . . . 93 PHE H . 17171 1 1028 . 1 1 93 93 PHE HA H 1 4.905 0.020 . 1 . . . . 93 PHE HA . 17171 1 1029 . 1 1 93 93 PHE HB2 H 1 2.641 0.020 . 2 . . . . 93 PHE HB2 . 17171 1 1030 . 1 1 93 93 PHE HB3 H 1 3.059 0.020 . 2 . . . . 93 PHE HB3 . 17171 1 1031 . 1 1 93 93 PHE HD1 H 1 6.657 0.020 . 1 . . . . 93 PHE HD1 . 17171 1 1032 . 1 1 93 93 PHE HD2 H 1 6.657 0.020 . 1 . . . . 93 PHE HD2 . 17171 1 1033 . 1 1 93 93 PHE HE1 H 1 6.791 0.020 . 1 . . . . 93 PHE HE1 . 17171 1 1034 . 1 1 93 93 PHE HE2 H 1 6.791 0.020 . 1 . . . . 93 PHE HE2 . 17171 1 1035 . 1 1 93 93 PHE C C 13 175.043 0.400 . 1 . . . . 93 PHE C . 17171 1 1036 . 1 1 93 93 PHE CA C 13 55.890 0.400 . 1 . . . . 93 PHE CA . 17171 1 1037 . 1 1 93 93 PHE CB C 13 41.491 0.400 . 1 . . . . 93 PHE CB . 17171 1 1038 . 1 1 93 93 PHE N N 15 115.493 0.400 . 1 . . . . 93 PHE N . 17171 1 1039 . 1 1 94 94 GLY H H 1 8.736 0.020 . 1 . . . . 94 GLY H . 17171 1 1040 . 1 1 94 94 GLY HA2 H 1 3.736 0.020 . 2 . . . . 94 GLY HA2 . 17171 1 1041 . 1 1 94 94 GLY HA3 H 1 4.050 0.020 . 2 . . . . 94 GLY HA3 . 17171 1 1042 . 1 1 94 94 GLY CA C 13 45.572 0.400 . 1 . . . . 94 GLY CA . 17171 1 1043 . 1 1 94 94 GLY N N 15 110.726 0.400 . 1 . . . . 94 GLY N . 17171 1 1044 . 1 1 95 95 ILE H H 1 8.119 0.020 . 1 . . . . 95 ILE H . 17171 1 1045 . 1 1 95 95 ILE HA H 1 4.170 0.020 . 1 . . . . 95 ILE HA . 17171 1 1046 . 1 1 95 95 ILE HB H 1 1.810 0.020 . 1 . . . . 95 ILE HB . 17171 1 1047 . 1 1 95 95 ILE HG12 H 1 1.347 0.020 . 2 . . . . 95 ILE HG12 . 17171 1 1048 . 1 1 95 95 ILE HG21 H 1 0.868 0.020 . 1 . . . . 95 ILE HG2 . 17171 1 1049 . 1 1 95 95 ILE HG22 H 1 0.868 0.020 . 1 . . . . 95 ILE HG2 . 17171 1 1050 . 1 1 95 95 ILE HG23 H 1 0.868 0.020 . 1 . . . . 95 ILE HG2 . 17171 1 1051 . 1 1 95 95 ILE C C 13 175.175 0.400 . 1 . . . . 95 ILE C . 17171 1 1052 . 1 1 95 95 ILE CB C 13 38.852 0.400 . 1 . . . . 95 ILE CB . 17171 1 1053 . 1 1 96 96 TYR H H 1 7.808 0.020 . 1 . . . . 96 TYR H . 17171 1 1054 . 1 1 96 96 TYR HA H 1 4.367 0.020 . 1 . . . . 96 TYR HA . 17171 1 1055 . 1 1 96 96 TYR HB2 H 1 2.622 0.020 . 2 . . . . 96 TYR HB2 . 17171 1 1056 . 1 1 96 96 TYR HB3 H 1 3.071 0.020 . 2 . . . . 96 TYR HB3 . 17171 1 1057 . 1 1 96 96 TYR HD1 H 1 6.861 0.020 . 1 . . . . 96 TYR HD1 . 17171 1 1058 . 1 1 96 96 TYR HD2 H 1 6.861 0.020 . 1 . . . . 96 TYR HD2 . 17171 1 1059 . 1 1 96 96 TYR C C 13 174.502 0.400 . 1 . . . . 96 TYR C . 17171 1 1060 . 1 1 96 96 TYR CA C 13 56.629 0.400 . 1 . . . . 96 TYR CA . 17171 1 1061 . 1 1 96 96 TYR CB C 13 39.243 0.400 . 1 . . . . 96 TYR CB . 17171 1 1062 . 1 1 96 96 TYR N N 15 122.691 0.400 . 1 . . . . 96 TYR N . 17171 1 1063 . 1 1 97 97 LYS H H 1 8.220 0.020 . 1 . . . . 97 LYS H . 17171 1 1064 . 1 1 97 97 LYS HA H 1 4.225 0.020 . 1 . . . . 97 LYS HA . 17171 1 1065 . 1 1 97 97 LYS HB2 H 1 1.742 0.020 . 2 . . . . 97 LYS HB2 . 17171 1 1066 . 1 1 97 97 LYS HB3 H 1 1.797 0.020 . 2 . . . . 97 LYS HB3 . 17171 1 1067 . 1 1 97 97 LYS HD2 H 1 1.640 0.020 . 2 . . . . 97 LYS HD2 . 17171 1 1068 . 1 1 97 97 LYS HD3 H 1 1.640 0.020 . 2 . . . . 97 LYS HD3 . 17171 1 1069 . 1 1 97 97 LYS HE2 H 1 2.952 0.020 . 2 . . . . 97 LYS HE2 . 17171 1 1070 . 1 1 97 97 LYS HE3 H 1 2.952 0.020 . 2 . . . . 97 LYS HE3 . 17171 1 1071 . 1 1 97 97 LYS HG2 H 1 1.315 0.020 . 2 . . . . 97 LYS HG2 . 17171 1 1072 . 1 1 97 97 LYS HG3 H 1 1.315 0.020 . 2 . . . . 97 LYS HG3 . 17171 1 1073 . 1 1 97 97 LYS C C 13 175.756 0.400 . 1 . . . . 97 LYS C . 17171 1 1074 . 1 1 97 97 LYS CA C 13 56.004 0.400 . 1 . . . . 97 LYS CA . 17171 1 1075 . 1 1 97 97 LYS CB C 13 33.371 0.400 . 1 . . . . 97 LYS CB . 17171 1 1076 . 1 1 97 97 LYS CD C 13 29.321 0.400 . 1 . . . . 97 LYS CD . 17171 1 1077 . 1 1 97 97 LYS CE C 13 42.147 0.400 . 1 . . . . 97 LYS CE . 17171 1 1078 . 1 1 97 97 LYS CG C 13 24.890 0.400 . 1 . . . . 97 LYS CG . 17171 1 1079 . 1 1 97 97 LYS N N 15 123.041 0.400 . 1 . . . . 97 LYS N . 17171 1 1080 . 1 1 98 98 ARG H H 1 8.441 0.020 . 1 . . . . 98 ARG H . 17171 1 1081 . 1 1 98 98 ARG HA H 1 4.369 0.020 . 1 . . . . 98 ARG HA . 17171 1 1082 . 1 1 98 98 ARG HB2 H 1 1.700 0.020 . 2 . . . . 98 ARG HB2 . 17171 1 1083 . 1 1 98 98 ARG HB3 H 1 1.700 0.020 . 2 . . . . 98 ARG HB3 . 17171 1 1084 . 1 1 98 98 ARG HG2 H 1 1.611 0.020 . 2 . . . . 98 ARG HG2 . 17171 1 1085 . 1 1 98 98 ARG HG3 H 1 1.611 0.020 . 2 . . . . 98 ARG HG3 . 17171 1 1086 . 1 1 98 98 ARG C C 13 176.256 0.400 . 1 . . . . 98 ARG C . 17171 1 1087 . 1 1 98 98 ARG CA C 13 56.216 0.400 . 1 . . . . 98 ARG CA . 17171 1 1088 . 1 1 98 98 ARG CB C 13 30.880 0.400 . 1 . . . . 98 ARG CB . 17171 1 1089 . 1 1 98 98 ARG CD C 13 43.248 0.400 . 1 . . . . 98 ARG CD . 17171 1 1090 . 1 1 98 98 ARG CG C 13 27.690 0.400 . 1 . . . . 98 ARG CG . 17171 1 1091 . 1 1 98 98 ARG N N 15 124.770 0.400 . 1 . . . . 98 ARG N . 17171 1 1092 . 1 1 99 99 ILE H H 1 8.298 0.020 . 1 . . . . 99 ILE H . 17171 1 1093 . 1 1 99 99 ILE HA H 1 4.176 0.020 . 1 . . . . 99 ILE HA . 17171 1 1094 . 1 1 99 99 ILE HB H 1 1.810 0.020 . 1 . . . . 99 ILE HB . 17171 1 1095 . 1 1 99 99 ILE HD11 H 1 0.876 0.020 . 1 . . . . 99 ILE HD1 . 17171 1 1096 . 1 1 99 99 ILE HD12 H 1 0.876 0.020 . 1 . . . . 99 ILE HD1 . 17171 1 1097 . 1 1 99 99 ILE HD13 H 1 0.876 0.020 . 1 . . . . 99 ILE HD1 . 17171 1 1098 . 1 1 99 99 ILE HG12 H 1 1.250 0.020 . 2 . . . . 99 ILE HG12 . 17171 1 1099 . 1 1 99 99 ILE HG13 H 1 1.465 0.020 . 2 . . . . 99 ILE HG13 . 17171 1 1100 . 1 1 99 99 ILE HG21 H 1 0.885 0.020 . 1 . . . . 99 ILE HG2 . 17171 1 1101 . 1 1 99 99 ILE HG22 H 1 0.885 0.020 . 1 . . . . 99 ILE HG2 . 17171 1 1102 . 1 1 99 99 ILE HG23 H 1 0.885 0.020 . 1 . . . . 99 ILE HG2 . 17171 1 1103 . 1 1 99 99 ILE C C 13 175.878 0.400 . 1 . . . . 99 ILE C . 17171 1 1104 . 1 1 99 99 ILE CA C 13 61.035 0.400 . 1 . . . . 99 ILE CA . 17171 1 1105 . 1 1 99 99 ILE CB C 13 38.829 0.400 . 1 . . . . 99 ILE CB . 17171 1 1106 . 1 1 99 99 ILE CD1 C 13 12.645 0.400 . 1 . . . . 99 ILE CD1 . 17171 1 1107 . 1 1 99 99 ILE CG1 C 13 27.317 0.400 . 1 . . . . 99 ILE CG1 . 17171 1 1108 . 1 1 99 99 ILE CG2 C 13 17.601 0.400 . 1 . . . . 99 ILE CG2 . 17171 1 1109 . 1 1 99 99 ILE N N 15 122.687 0.400 . 1 . . . . 99 ILE N . 17171 1 1110 . 1 1 100 100 LYS H H 1 8.299 0.020 . 1 . . . . 100 LYS H . 17171 1 1111 . 1 1 100 100 LYS HA H 1 4.662 0.020 . 1 . . . . 100 LYS HA . 17171 1 1112 . 1 1 100 100 LYS HB2 H 1 1.708 0.020 . 2 . . . . 100 LYS HB2 . 17171 1 1113 . 1 1 100 100 LYS HB3 H 1 1.708 0.020 . 2 . . . . 100 LYS HB3 . 17171 1 1114 . 1 1 100 100 LYS HD2 H 1 1.450 0.020 . 2 . . . . 100 LYS HD2 . 17171 1 1115 . 1 1 100 100 LYS HD3 H 1 1.450 0.020 . 2 . . . . 100 LYS HD3 . 17171 1 1116 . 1 1 100 100 LYS CA C 13 54.122 0.400 . 1 . . . . 100 LYS CA . 17171 1 1117 . 1 1 100 100 LYS CB C 13 33.196 0.400 . 1 . . . . 100 LYS CB . 17171 1 1118 . 1 1 100 100 LYS N N 15 125.964 0.400 . 1 . . . . 100 LYS N . 17171 1 1119 . 1 1 101 101 PRO HA H 1 4.391 0.020 . 1 . . . . 101 PRO HA . 17171 1 1120 . 1 1 101 101 PRO HB2 H 1 1.962 0.020 . 2 . . . . 101 PRO HB2 . 17171 1 1121 . 1 1 101 101 PRO HB3 H 1 2.264 0.020 . 2 . . . . 101 PRO HB3 . 17171 1 1122 . 1 1 101 101 PRO HD2 H 1 3.660 0.020 . 2 . . . . 101 PRO HD2 . 17171 1 1123 . 1 1 101 101 PRO HD3 H 1 3.820 0.020 . 2 . . . . 101 PRO HD3 . 17171 1 1124 . 1 1 101 101 PRO HG2 H 1 1.979 0.020 . 2 . . . . 101 PRO HG2 . 17171 1 1125 . 1 1 101 101 PRO HG3 H 1 2.041 0.020 . 2 . . . . 101 PRO HG3 . 17171 1 1126 . 1 1 101 101 PRO C C 13 175.967 0.400 . 1 . . . . 101 PRO C . 17171 1 1127 . 1 1 101 101 PRO CA C 13 63.306 0.400 . 1 . . . . 101 PRO CA . 17171 1 1128 . 1 1 101 101 PRO CB C 13 32.059 0.400 . 1 . . . . 101 PRO CB . 17171 1 1129 . 1 1 101 101 PRO CD C 13 50.970 0.400 . 1 . . . . 101 PRO CD . 17171 1 1130 . 1 1 101 101 PRO CG C 13 27.362 0.400 . 1 . . . . 101 PRO CG . 17171 1 1131 . 1 1 102 102 LEU H H 1 7.881 0.020 . 1 . . . . 102 LEU H . 17171 1 1132 . 1 1 102 102 LEU HA H 1 4.117 0.020 . 1 . . . . 102 LEU HA . 17171 1 1133 . 1 1 102 102 LEU HB2 H 1 1.546 0.020 . 2 . . . . 102 LEU HB2 . 17171 1 1134 . 1 1 102 102 LEU HB3 H 1 1.546 0.020 . 2 . . . . 102 LEU HB3 . 17171 1 1135 . 1 1 102 102 LEU CA C 13 57.015 0.400 . 1 . . . . 102 LEU CA . 17171 1 1136 . 1 1 102 102 LEU CB C 13 43.480 0.400 . 1 . . . . 102 LEU CB . 17171 1 1137 . 1 1 102 102 LEU N N 15 127.836 0.400 . 1 . . . . 102 LEU N . 17171 1 stop_ save_