data_16695 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16695 _Entry.Title ; Backbone Assignments for the HIV-1 Integrase Core Domain (residues 50-212) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-01-29 _Entry.Accession_date 2010-01-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Assignments for IN(50-212), Q53E C56S W131E F185K Q209E Variant in 40 mM MgCl2, pH 6.8' _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 Nicholas Fitzkee . C. . 16695 2 James Masse . E. . 16695 3 Yang Shen . . . 16695 4 David Davies . R. . 16695 5 Ad Bax . . . 16695 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Laboratory of Chemical Physics, NIDDK, NIH' . 16695 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 16695 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 489 16695 '15N chemical shifts' 158 16695 '1H chemical shifts' 158 16695 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-06-09 2010-01-29 update BMRB 'complete entry citation' 16695 1 . . 2010-05-05 2010-01-29 original author 'original release' 16695 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16695 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20363759 _Citation.Full_citation . _Citation.Title 'Solution conformation and dynamics of the HIV-1 integrase core domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 285 _Citation.Journal_issue 23 _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 18072 _Citation.Page_last 18084 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Nicholas Fitzkee . C. . 16695 1 2 James Masse . E. . 16695 1 3 Yang Shen . . . 16695 1 4 David Davies . R. . 16695 1 5 Ad Bax . . . 16695 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID AIDS 16695 1 HIV 16695 1 Integrase 16695 1 Retrovirus 16695 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16695 _Assembly.ID 1 _Assembly.Name 'Integrase Core Domain Dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 36200 _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 'Integrase, chain 1' 1 $Integrase_Core_Domain A . yes native no no . . . 16695 1 2 'Integrase, chain 2' 1 $Integrase_Core_Domain B . yes native no no . . . 16695 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1BIU . . X-ray 2.50 . . 16695 1 yes PDB 1BL3 . . X-ray 2.00 . . 16695 1 yes PDB 1QS4 . . X-ray 2.10 . . 16695 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Integrase_Core_Domain _Entity.Sf_category entity _Entity.Sf_framecode Integrase_Core_Domain _Entity.Entry_ID 16695 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Integrase_Core_Domain _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 ; GSHMHGEVDSSPGIWQLDCT HLEGKVILVAVHVASGYIEA EVIPAETGQETAYFLLKLAG RWPVKTVHTDNGSNFTSTTV KAACEWAGIKQEFGIPYNPQ SQGVIESMNKELKKIIGQVR DQAEHLKTAVQMAVFIHNKK RKGGIGGYSAGERIVDIIAT DIETKE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 166 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'Q53E C56S W131E F185K Q209E' _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 PDB 1B92 . "Mobility Of An Hiv-1 Integrase Active Site Loop Is Correlated With Catalytic Activity" . . . . . 98.19 163 96.93 98.16 3.61e-111 . . . . 16695 1 2 no PDB 1B9D . "Mobility Of An Hiv-1 Integrase Active Site Loop Is Correlated With Catalytic Activity" . . . . . 98.19 163 97.55 98.77 8.16e-112 . . . . 16695 1 3 no PDB 1BHL . "Cacodylated Catalytic Domain Of Hiv-1 Integrase" . . . . . 90.96 151 97.35 97.35 1.60e-100 . . . . 16695 1 4 no PDB 1BIS . "Hiv-1 Integrase Core Domain" . . . . . 98.19 166 98.16 99.39 1.73e-113 . . . . 16695 1 5 no PDB 1BIU . "Hiv-1 Integrase Core Domain Complexed With Mg++" . . . . . 100.00 166 97.59 98.80 8.11e-115 . . . . 16695 1 6 no PDB 1BIZ . "Hiv-1 Integrase Core Domain" . . . . . 100.00 166 98.19 99.40 3.94e-115 . . . . 16695 1 7 no PDB 1ITG . "Crystal Structure Of The Catalytic Domain Of Hiv-1 Integrase: Similarity To Other Polynucleotidyl Transferases" . . . . . 100.00 166 97.59 98.80 3.91e-114 . . . . 16695 1 8 no PDB 1QS4 . "Core Domain Of Hiv-1 Integrase Complexed With Mg++ And 1-(5- Chloroindol-3-Yl)-3-Hydroxy-3-(2h-Tetrazol-5-Yl)-Propenone" . . . . . 92.17 154 98.69 99.35 1.13e-105 . . . . 16695 1 9 no PDB 2B4J . "Structural Basis For The Recognition Between Hiv-1 Integrase And LedgfP75" . . . . . 100.00 166 97.59 98.80 3.91e-114 . . . . 16695 1 10 no PDB 2ITG . "Catalytic Domain Of Hiv-1 Integrase: Ordered Active Site In The F185h Construct" . . . . . 98.19 163 96.93 98.16 6.95e-111 . . . . 16695 1 11 no PDB 3AO1 . "Fragment-Based Approach To The Design Of Ligands Targeting A Novel Site In Hiv-1 Integrase" . . . . . 98.19 163 96.93 98.77 4.25e-111 . . . . 16695 1 12 no PDB 3AV9 . "Crystal Structures Of Novel Allosteric Peptide Inhibitors Of Hiv Integrase In The Ledgf Binding Site" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 13 no PDB 3AVA . "Crystal Structures Of Novel Allosteric Peptide Inhibitors Of Hiv Integrase In The Ledgf Binding Site" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 14 no PDB 3AVB . "Crystal Structures Of Novel Allosteric Peptide Inhibitors Of Hiv Integrase In The Ledgf Binding Site" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 15 no PDB 3AVC . "Crystal Structures Of Novel Allosteric Peptide Inhibitors Of Hiv Integrase In The Ledgf Binding Site" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 16 no PDB 3AVF . "Crystal Structures Of Novel Allosteric Peptide Inhibitors Of Hiv Integrase In The Ledgf Binding Site" . . . . . 98.19 180 96.93 98.16 3.55e-110 . . . . 16695 1 17 no PDB 3AVG . "Crystal Structures Of Novel Allosteric Peptide Inhibitors Of Hiv Integrase In The Ledgf Binding Site" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 18 no PDB 3AVH . "Crystal Structures Of Novel Allosteric Peptide Inhibitors Of Hiv Integrase In The Ledgf Binding Site" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 19 no PDB 3AVI . "Crystal Structures Of Novel Allosteric Peptide Inhibitors Of Hiv Integrase In The Ledgf Binding Site" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 20 no PDB 3AVJ . "Crystal Structures Of Novel Allosteric Peptide Inhibitors Of Hiv Integrase In The Ledgf Binding Site" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 21 no PDB 3AVK . "Crystal Structures Of Novel Allosteric Peptide Inhibitors Of Hiv Integrase In The Ledgf Binding Site" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 22 no PDB 3AVL . "Crystal Structures Of Novel Allosteric Peptide Inhibitors Of Hiv Integrase In The Ledgf Binding Site" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 23 no PDB 3AVM . "Crystal Structures Of Novel Allosteric Peptide Inhibitors Of Hiv Integrase In The Ledgf Binding Site" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 24 no PDB 3AVN . "Crystal Structures Of Novel Allosteric Peptide Inhibitors Of Hiv Integrase In The Ledgf Binding Site" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 25 no PDB 3L3U . "Crystal Structure Of The Hiv-1 Integrase Core Domain To 1.4a" . . . . . 98.19 163 96.93 98.77 4.25e-111 . . . . 16695 1 26 no PDB 3L3V . "Structure Of Hiv-1 Integrase Core Domain In Complex With Sucrose" . . . . . 98.19 163 96.93 98.77 4.25e-111 . . . . 16695 1 27 no PDB 3NF6 . "Structural Basis For A New Mechanism Of Inhibition Of Hiv Integrase Identified By Fragment Screening And Structure Based Design" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 28 no PDB 3NF7 . "Structural Basis For A New Mechanism Of Inhibition Of Hiv Integrase Identified By Fragment Screening And Structure Based Design" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 29 no PDB 3NF8 . "Structural Basis For A New Mechanism Of Inhibition Of Hiv Integrase Identified By Fragment Screening And Structure Based Design" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 30 no PDB 3NF9 . "Structural Basis For A New Mechanism Of Inhibition Of Hiv Integrase Identified By Fragment Screening And Structure Based Design" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 31 no PDB 3NFA . "Structural Basis For A New Mechanism Of Inhibition Of Hiv Integrase Identified By Fragment Screening And Structure Based Design" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 32 no PDB 3OVN . "Fragment-Based Approach To The Design Of Ligands Targeting A Novel Site On Hiv-1 Integrase" . . . . . 98.19 163 96.93 98.77 4.25e-111 . . . . 16695 1 33 no PDB 3VQ4 . "Fragments Bound To Hiv-1 Integrase" . . . . . 95.18 158 97.47 98.73 1.62e-107 . . . . 16695 1 34 no PDB 3VQ6 . "Hiv-1 In Core Domain In Complex With (1-methyl-5-phenyl-1h-pyrazol-4- Yl)methanol" . . . . . 95.18 158 97.47 98.73 1.62e-107 . . . . 16695 1 35 no PDB 3VQ7 . "Hiv-1 In Core Domain In Complex With 4-(1h-pyrrol-1-yl)aniline" . . . . . 95.18 158 97.47 98.73 1.62e-107 . . . . 16695 1 36 no PDB 3VQA . "Hiv-1 In Core Domain In Complex With 1-benzothiophen-6-amine 1,1- Dioxide" . . . . . 95.18 158 97.47 98.73 1.62e-107 . . . . 16695 1 37 no PDB 3VQB . "Hiv-1 In Core Domain In Complex With 6-fluoro-4h-1,3-benzodioxine-8- Carboxylic Acid" . . . . . 95.18 158 97.47 98.73 1.62e-107 . . . . 16695 1 38 no PDB 3VQC . "Hiv-1 In Core Domain In Complex With (5-methyl-3-phenyl-1,2-oxazol-4- Yl)methanol" . . . . . 95.18 158 97.47 98.73 1.62e-107 . . . . 16695 1 39 no PDB 3VQD . "Hiv-1 In Core Domain In Complex With 5-methyl-3-phenyl-1,2-oxazole-4- Carboxylic Acid" . . . . . 95.18 158 97.47 98.73 1.62e-107 . . . . 16695 1 40 no PDB 3VQP . "Hiv-1 In Core Domain In Complex With 2,3-dihydro-1,4-benzodioxin-5- Ylmethanol" . . . . . 95.18 158 97.47 98.73 1.62e-107 . . . . 16695 1 41 no PDB 3VQQ . "Hiv-1 Integrase Core Domain In Complex With 2,1,3-benzothiadiazol-4- Amine" . . . . . 95.18 158 97.47 98.73 1.62e-107 . . . . 16695 1 42 no PDB 3ZCM . "Small Molecule Inhibitors Of The Ledgf Site Of Hiv Integrase Identified By Fragment Screening And Structure Based Design" . . . . . 93.37 167 97.42 98.06 6.11e-104 . . . . 16695 1 43 no PDB 3ZSO . "Small Molecule Inhibitors Of The Ledgf Site Of Hiv Type 1 Integrase Identified By Fragment Screening And Structure Based Design" . . . . . 93.37 167 97.42 98.06 6.11e-104 . . . . 16695 1 44 no PDB 3ZSQ . "Small Molecule Inhibitors Of The Ledgf Site Of Hiv Type 1 Integrase Identified By Fragment Screening And Structure Based Drug D" . . . . . 93.37 167 97.42 98.06 6.11e-104 . . . . 16695 1 45 no PDB 3ZSR . "Small Molecule Inhibitors Of The Ledgf Site Of Hiv Type 1 Integrase Identified By Fragment Screening And Structure Based Drug D" . . . . . 93.37 167 97.42 98.06 6.11e-104 . . . . 16695 1 46 no PDB 3ZSV . "Small Molecule Inhibitors Of The Ledgf Site Of Hiv Type 1 Integrase Identified By Fragment Screening And Structure Based Drug D" . . . . . 93.37 167 97.42 98.06 6.11e-104 . . . . 16695 1 47 no PDB 3ZSW . "Small Molecule Inhibitors Of The Ledgf Site Of Hiv Type 1 Integrase Identified By Fragment Screening And Structure Based Drug D" . . . . . 93.37 167 97.42 98.06 6.11e-104 . . . . 16695 1 48 no PDB 3ZSX . "Small Molecule Inhibitors Of The Ledgf Site Of Hiv Type 1 Integrase Identified By Fragment Screening And Structure Based Drug D" . . . . . 93.37 167 97.42 98.06 6.11e-104 . . . . 16695 1 49 no PDB 3ZSY . "Small Molecule Inhibitors Of The Ledgf Site Of Hiv Type 1 Integrase Identified By Fragment Screening And Structure Based Drug D" . . . . . 93.37 167 97.42 98.06 6.11e-104 . . . . 16695 1 50 no PDB 3ZSZ . "Small Molecule Inhibitors Of The Ledgf Site Of Hiv Type 1 Integrase Identified By Fragment Screening And Structure Based Drug D" . . . . . 93.37 167 97.42 98.06 6.11e-104 . . . . 16695 1 51 no PDB 3ZT0 . "Small Molecule Inhibitors Of The Ledgf Site Of Hiv Type 1 Integrase Identified By Fragment Screening And Structure Based Drug D" . . . . . 93.37 167 97.42 98.06 6.11e-104 . . . . 16695 1 52 no PDB 3ZT1 . "Small Molecule Inhibitors Of The Ledgf Site Of Hiv Type 1 Integrase Identified By Fragment Screening And Structure Based Drug D" . . . . . 93.37 167 97.42 98.06 6.11e-104 . . . . 16695 1 53 no PDB 3ZT2 . "Small Molecule Inhibitors Of The Ledgf Site Of Hiv Type 1 Integrase Identified By Fragment Screening And Structure Based Drug D" . . . . . 93.37 167 97.42 98.06 6.11e-104 . . . . 16695 1 54 no PDB 3ZT3 . "Small Molecule Inhibitors Of The Ledgf Site Of Hiv Type 1 Integrase Identified By Fragment Screening And Structure Based Drug D" . . . . . 93.37 167 97.42 98.06 6.11e-104 . . . . 16695 1 55 no PDB 3ZT4 . "Small Molecule Inhibitors Of The Ledgf Site Of Hiv Type 1 Integrase Identified By Fragment Screening And Structure Based Drug D" . . . . . 93.37 167 97.42 98.06 6.11e-104 . . . . 16695 1 56 no PDB 4AH9 . "Parallel Screening Of A Low Molecular Weight Compound Library: Do Differences In Methodology Affect Hit Identification" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 57 no PDB 4AHR . "Parallel Screening Of A Low Molecular Weight Compound Library: Do Differences In Methodology Affect Hit Identification" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 58 no PDB 4AHS . "Parallel Screening Of A Low Molecular Weight Compound Library: Do Differences In Methodology Affect Hit Identification" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 59 no PDB 4AHT . "Parallel Screening Of A Low Molecular Weight Compound Library: Do Differences In Methodology Affect Hit Identification" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 60 no PDB 4AHU . "Parallel Screening Of A Low Molecular Weight Compound Library: Do Differences In Methodology Affect Hit Identification" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 61 no PDB 4AHV . "Parallel Screening Of A Low Molecular Weight Compound Library: Do Differences In Methodology Affect Hit Identification" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 62 no PDB 4CE9 . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 63 no PDB 4CEA . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 64 no PDB 4CEB . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 65 no PDB 4CEC . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 66 no PDB 4CED . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 67 no PDB 4CEE . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 68 no PDB 4CEF . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 69 no PDB 4CEO . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 70 no PDB 4CEQ . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 71 no PDB 4CER . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 72 no PDB 4CES . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 73 no PDB 4CEZ . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 74 no PDB 4CF0 . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 75 no PDB 4CF1 . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 76 no PDB 4CF2 . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 77 no PDB 4CF8 . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 78 no PDB 4CF9 . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 79 no PDB 4CFA . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 80 no PDB 4CFB . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 81 no PDB 4CFC . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 82 no PDB 4CFD . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 83 no PDB 4CGD . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 84 no PDB 4CGF . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 85 no PDB 4CGG . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 86 no PDB 4CGH . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 87 no PDB 4CGI . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 88 no PDB 4CGJ . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 89 no PDB 4CHN . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 90 no PDB 4CHO . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 91 no PDB 4CHP . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 92 no PDB 4CHQ . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 93 no PDB 4CHY . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 94 no PDB 4CHZ . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 95 no PDB 4CIE . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 96 no PDB 4CIF . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 97 no PDB 4CIG . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 98 no PDB 4CJ3 . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 99 no PDB 4CJ4 . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 100 no PDB 4CJ5 . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 101 no PDB 4CJE . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 102 no PDB 4CJF . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 103 no PDB 4CJK . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 104 no PDB 4CJL . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 105 no PDB 4CJP . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 106 no PDB 4CJQ . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 107 no PDB 4CJR . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 108 no PDB 4CJS . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 109 no PDB 4CJT . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 110 no PDB 4CJU . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 111 no PDB 4CJV . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 112 no PDB 4CJW . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 113 no PDB 4CK1 . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 114 no PDB 4CK2 . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 115 no PDB 4CK3 . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 116 no PDB 4DMN . "Hiv-1 Integrase Catalytical Core Domain" . . . . . 98.19 163 97.55 98.77 8.16e-112 . . . . 16695 1 117 no PDB 4GVM . "Hiv-1 Integrase Catalytic Core Domain A128t Mutant Complexed With Allosteric Inhibitor" . . . . . 98.19 163 96.93 98.16 3.42e-111 . . . . 16695 1 118 no PDB 4GW6 . "Hiv-1 Integrase Catalytic Core Domain Complexed With Allosteric Inhibitor" . . . . . 98.19 163 97.55 98.77 8.16e-112 . . . . 16695 1 119 no PDB 4OVL . "Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge" . . . . . 100.00 183 96.99 98.19 2.73e-112 . . . . 16695 1 120 no PDB 4Y1C . "Cyclic Hexapeptide Cyc[ndpoppkid] In Complex With Hiv-1 Integrase Core Domain" . . . . . 100.00 167 96.99 98.80 1.06e-113 . . . . 16695 1 121 no PDB 4Y1D . "Cyclic Hexapeptide Cyc[ndpoppkid] In Complex With Hiv-1 Integrase Core Domain" . . . . . 100.00 167 96.99 98.80 1.06e-113 . . . . 16695 1 122 no GB ABO92709 . "pol protein [Human immunodeficiency virus 1]" . . . . . 78.31 160 96.92 98.46 5.17e-85 . . . . 16695 1 123 no GB AEM00300 . "pol protein [Human immunodeficiency virus 1]" . . . . . 57.23 95 98.95 98.95 4.11e-61 . . . . 16695 1 124 no GB AEM00302 . "pol protein, partial [Human immunodeficiency virus 1]" . . . . . 57.23 95 98.95 98.95 4.11e-61 . . . . 16695 1 125 no GB AEM00305 . "pol protein, partial [Human immunodeficiency virus 1]" . . . . . 57.23 95 98.95 98.95 4.11e-61 . . . . 16695 1 126 no GB AEM00307 . "pol protein, partial [Human immunodeficiency virus 1]" . . . . . 57.23 95 98.95 98.95 4.11e-61 . . . . 16695 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 47 GLY . 16695 1 2 48 SER . 16695 1 3 49 HIS . 16695 1 4 50 MET . 16695 1 5 51 HIS . 16695 1 6 52 GLY . 16695 1 7 53 GLU . 16695 1 8 54 VAL . 16695 1 9 55 ASP . 16695 1 10 56 SER . 16695 1 11 57 SER . 16695 1 12 58 PRO . 16695 1 13 59 GLY . 16695 1 14 60 ILE . 16695 1 15 61 TRP . 16695 1 16 62 GLN . 16695 1 17 63 LEU . 16695 1 18 64 ASP . 16695 1 19 65 CYS . 16695 1 20 66 THR . 16695 1 21 67 HIS . 16695 1 22 68 LEU . 16695 1 23 69 GLU . 16695 1 24 70 GLY . 16695 1 25 71 LYS . 16695 1 26 72 VAL . 16695 1 27 73 ILE . 16695 1 28 74 LEU . 16695 1 29 75 VAL . 16695 1 30 76 ALA . 16695 1 31 77 VAL . 16695 1 32 78 HIS . 16695 1 33 79 VAL . 16695 1 34 80 ALA . 16695 1 35 81 SER . 16695 1 36 82 GLY . 16695 1 37 83 TYR . 16695 1 38 84 ILE . 16695 1 39 85 GLU . 16695 1 40 86 ALA . 16695 1 41 87 GLU . 16695 1 42 88 VAL . 16695 1 43 89 ILE . 16695 1 44 90 PRO . 16695 1 45 91 ALA . 16695 1 46 92 GLU . 16695 1 47 93 THR . 16695 1 48 94 GLY . 16695 1 49 95 GLN . 16695 1 50 96 GLU . 16695 1 51 97 THR . 16695 1 52 98 ALA . 16695 1 53 99 TYR . 16695 1 54 100 PHE . 16695 1 55 101 LEU . 16695 1 56 102 LEU . 16695 1 57 103 LYS . 16695 1 58 104 LEU . 16695 1 59 105 ALA . 16695 1 60 106 GLY . 16695 1 61 107 ARG . 16695 1 62 108 TRP . 16695 1 63 109 PRO . 16695 1 64 110 VAL . 16695 1 65 111 LYS . 16695 1 66 112 THR . 16695 1 67 113 VAL . 16695 1 68 114 HIS . 16695 1 69 115 THR . 16695 1 70 116 ASP . 16695 1 71 117 ASN . 16695 1 72 118 GLY . 16695 1 73 119 SER . 16695 1 74 120 ASN . 16695 1 75 121 PHE . 16695 1 76 122 THR . 16695 1 77 123 SER . 16695 1 78 124 THR . 16695 1 79 125 THR . 16695 1 80 126 VAL . 16695 1 81 127 LYS . 16695 1 82 128 ALA . 16695 1 83 129 ALA . 16695 1 84 130 CYS . 16695 1 85 131 GLU . 16695 1 86 132 TRP . 16695 1 87 133 ALA . 16695 1 88 134 GLY . 16695 1 89 135 ILE . 16695 1 90 136 LYS . 16695 1 91 137 GLN . 16695 1 92 138 GLU . 16695 1 93 139 PHE . 16695 1 94 140 GLY . 16695 1 95 141 ILE . 16695 1 96 142 PRO . 16695 1 97 143 TYR . 16695 1 98 144 ASN . 16695 1 99 145 PRO . 16695 1 100 146 GLN . 16695 1 101 147 SER . 16695 1 102 148 GLN . 16695 1 103 149 GLY . 16695 1 104 150 VAL . 16695 1 105 151 ILE . 16695 1 106 152 GLU . 16695 1 107 153 SER . 16695 1 108 154 MET . 16695 1 109 155 ASN . 16695 1 110 156 LYS . 16695 1 111 157 GLU . 16695 1 112 158 LEU . 16695 1 113 159 LYS . 16695 1 114 160 LYS . 16695 1 115 161 ILE . 16695 1 116 162 ILE . 16695 1 117 163 GLY . 16695 1 118 164 GLN . 16695 1 119 165 VAL . 16695 1 120 166 ARG . 16695 1 121 167 ASP . 16695 1 122 168 GLN . 16695 1 123 169 ALA . 16695 1 124 170 GLU . 16695 1 125 171 HIS . 16695 1 126 172 LEU . 16695 1 127 173 LYS . 16695 1 128 174 THR . 16695 1 129 175 ALA . 16695 1 130 176 VAL . 16695 1 131 177 GLN . 16695 1 132 178 MET . 16695 1 133 179 ALA . 16695 1 134 180 VAL . 16695 1 135 181 PHE . 16695 1 136 182 ILE . 16695 1 137 183 HIS . 16695 1 138 184 ASN . 16695 1 139 185 LYS . 16695 1 140 186 LYS . 16695 1 141 187 ARG . 16695 1 142 188 LYS . 16695 1 143 189 GLY . 16695 1 144 190 GLY . 16695 1 145 191 ILE . 16695 1 146 192 GLY . 16695 1 147 193 GLY . 16695 1 148 194 TYR . 16695 1 149 195 SER . 16695 1 150 196 ALA . 16695 1 151 197 GLY . 16695 1 152 198 GLU . 16695 1 153 199 ARG . 16695 1 154 200 ILE . 16695 1 155 201 VAL . 16695 1 156 202 ASP . 16695 1 157 203 ILE . 16695 1 158 204 ILE . 16695 1 159 205 ALA . 16695 1 160 206 THR . 16695 1 161 207 ASP . 16695 1 162 208 ILE . 16695 1 163 209 GLU . 16695 1 164 210 THR . 16695 1 165 211 LYS . 16695 1 166 212 GLU . 16695 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 16695 1 . SER 2 2 16695 1 . HIS 3 3 16695 1 . MET 4 4 16695 1 . HIS 5 5 16695 1 . GLY 6 6 16695 1 . GLU 7 7 16695 1 . VAL 8 8 16695 1 . ASP 9 9 16695 1 . SER 10 10 16695 1 . SER 11 11 16695 1 . PRO 12 12 16695 1 . GLY 13 13 16695 1 . ILE 14 14 16695 1 . TRP 15 15 16695 1 . GLN 16 16 16695 1 . LEU 17 17 16695 1 . ASP 18 18 16695 1 . CYS 19 19 16695 1 . THR 20 20 16695 1 . HIS 21 21 16695 1 . LEU 22 22 16695 1 . GLU 23 23 16695 1 . GLY 24 24 16695 1 . LYS 25 25 16695 1 . VAL 26 26 16695 1 . ILE 27 27 16695 1 . LEU 28 28 16695 1 . VAL 29 29 16695 1 . ALA 30 30 16695 1 . VAL 31 31 16695 1 . HIS 32 32 16695 1 . VAL 33 33 16695 1 . ALA 34 34 16695 1 . SER 35 35 16695 1 . GLY 36 36 16695 1 . TYR 37 37 16695 1 . ILE 38 38 16695 1 . GLU 39 39 16695 1 . ALA 40 40 16695 1 . GLU 41 41 16695 1 . VAL 42 42 16695 1 . ILE 43 43 16695 1 . PRO 44 44 16695 1 . ALA 45 45 16695 1 . GLU 46 46 16695 1 . THR 47 47 16695 1 . GLY 48 48 16695 1 . GLN 49 49 16695 1 . GLU 50 50 16695 1 . THR 51 51 16695 1 . ALA 52 52 16695 1 . TYR 53 53 16695 1 . PHE 54 54 16695 1 . LEU 55 55 16695 1 . LEU 56 56 16695 1 . LYS 57 57 16695 1 . LEU 58 58 16695 1 . ALA 59 59 16695 1 . GLY 60 60 16695 1 . ARG 61 61 16695 1 . TRP 62 62 16695 1 . PRO 63 63 16695 1 . VAL 64 64 16695 1 . LYS 65 65 16695 1 . THR 66 66 16695 1 . VAL 67 67 16695 1 . HIS 68 68 16695 1 . THR 69 69 16695 1 . ASP 70 70 16695 1 . ASN 71 71 16695 1 . GLY 72 72 16695 1 . SER 73 73 16695 1 . ASN 74 74 16695 1 . PHE 75 75 16695 1 . THR 76 76 16695 1 . SER 77 77 16695 1 . THR 78 78 16695 1 . THR 79 79 16695 1 . VAL 80 80 16695 1 . LYS 81 81 16695 1 . ALA 82 82 16695 1 . ALA 83 83 16695 1 . CYS 84 84 16695 1 . GLU 85 85 16695 1 . TRP 86 86 16695 1 . ALA 87 87 16695 1 . GLY 88 88 16695 1 . ILE 89 89 16695 1 . LYS 90 90 16695 1 . GLN 91 91 16695 1 . GLU 92 92 16695 1 . PHE 93 93 16695 1 . GLY 94 94 16695 1 . ILE 95 95 16695 1 . PRO 96 96 16695 1 . TYR 97 97 16695 1 . ASN 98 98 16695 1 . PRO 99 99 16695 1 . GLN 100 100 16695 1 . SER 101 101 16695 1 . GLN 102 102 16695 1 . GLY 103 103 16695 1 . VAL 104 104 16695 1 . ILE 105 105 16695 1 . GLU 106 106 16695 1 . SER 107 107 16695 1 . MET 108 108 16695 1 . ASN 109 109 16695 1 . LYS 110 110 16695 1 . GLU 111 111 16695 1 . LEU 112 112 16695 1 . LYS 113 113 16695 1 . LYS 114 114 16695 1 . ILE 115 115 16695 1 . ILE 116 116 16695 1 . GLY 117 117 16695 1 . GLN 118 118 16695 1 . VAL 119 119 16695 1 . ARG 120 120 16695 1 . ASP 121 121 16695 1 . GLN 122 122 16695 1 . ALA 123 123 16695 1 . GLU 124 124 16695 1 . HIS 125 125 16695 1 . LEU 126 126 16695 1 . LYS 127 127 16695 1 . THR 128 128 16695 1 . ALA 129 129 16695 1 . VAL 130 130 16695 1 . GLN 131 131 16695 1 . MET 132 132 16695 1 . ALA 133 133 16695 1 . VAL 134 134 16695 1 . PHE 135 135 16695 1 . ILE 136 136 16695 1 . HIS 137 137 16695 1 . ASN 138 138 16695 1 . LYS 139 139 16695 1 . LYS 140 140 16695 1 . ARG 141 141 16695 1 . LYS 142 142 16695 1 . GLY 143 143 16695 1 . GLY 144 144 16695 1 . ILE 145 145 16695 1 . GLY 146 146 16695 1 . GLY 147 147 16695 1 . TYR 148 148 16695 1 . SER 149 149 16695 1 . ALA 150 150 16695 1 . GLY 151 151 16695 1 . GLU 152 152 16695 1 . ARG 153 153 16695 1 . ILE 154 154 16695 1 . VAL 155 155 16695 1 . ASP 156 156 16695 1 . ILE 157 157 16695 1 . ILE 158 158 16695 1 . ALA 159 159 16695 1 . THR 160 160 16695 1 . ASP 161 161 16695 1 . ILE 162 162 16695 1 . GLU 163 163 16695 1 . THR 164 164 16695 1 . LYS 165 165 16695 1 . GLU 166 166 16695 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 16695 _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 $Integrase_Core_Domain . 11676 organism . HIV HIV . . Viruses . Lentivirus HIV-1 'Type 1 Virus, NL4-3' 'Q53E C56S W131E F185K Q209E' . . . . . . . . . . . . . . . . . . . 16695 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 16695 _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 $Integrase_Core_Domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 Star (DE3)' . . . . . . . . . . . . . . . pET-15b . . . . . . 16695 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16695 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'Integrase Core Domain' '[U-13C; U-15N; U-2H]' . . 1 $Integrase_Core_Domain . . 300-700 . . uM . . . . 16695 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 16695 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16695 1 4 'magnesium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 16695 1 5 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 16695 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 16695 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16695 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.25 . M 16695 1 pH 6.8 0.1 pH 16695 1 pressure 1 . atm 16695 1 temperature 298 . K 16695 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16695 _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' . . 16695 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16695 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16695 _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 . . 16695 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16695 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16695 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller, Wutrich' . . 16695 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16695 3 stop_ save_ save_AutoLink _Software.Sf_category software _Software.Sf_framecode AutoLink _Software.Entry_ID 16695 _Software.ID 4 _Software.Name AutoLink _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Masse, Keller' . . 16695 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16695 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_drx800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode drx800 _NMR_spectrometer.Entry_ID 16695 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_bax600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode bax600 _NMR_spectrometer.Entry_ID 16695 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16695 _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 drx800 Bruker DRX . 800 . . . 16695 1 2 bax600 Bruker Avance . 600 . . . 16695 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 16695 _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 $drx800 . . . . . . . . . . . . . . . . 16695 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $bax600 . . . . . . . . . . . . . . . . 16695 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $bax600 . . . . . . . . . . . . . . . . 16695 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $bax600 . . . . . . . . . . . . . . . . 16695 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $bax600 . . . . . . . . . . . . . . . . 16695 1 6 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $bax600 . . . . . . . . . . . . . . . . 16695 1 7 '3D HN(CA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $bax600 . . . . . . . . . . . . . . . . 16695 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $bax600 . . . . . . . . . . . . . . . . 16695 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 16695 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Indirect referencing according to Wishart, DS, et al. (1995) J. Biomol. NMR 6:135-140.' 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 carbons' . . . . ppm 0.0 na indirect 0.251449530 . . . . . . . . . 16695 1 H 1 water protons . . . . ppm 4.77 internal direct 1.0 . . . . . . . . . 16695 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0.0 na direct 1.0 . . . . . . . . . 16695 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 16695 _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 'Proton and nitrogen chemical shifts have been corrected (46 Hz) to account for TROSY sequences used.' _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' . . . 16695 1 2 '3D HNCO' . . . 16695 1 3 '3D HN(CA)CO' . . . 16695 1 4 '3D HNCA' . . . 16695 1 5 '3D HN(CO)CA' . . . 16695 1 6 '3D HN(COCA)CB' . . . 16695 1 7 '3D HN(CA)CB' . . . 16695 1 8 '3D 1H-15N NOESY' . . . 16695 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 16695 1 2 $SPARKY . . 16695 1 3 $CARA . . 16695 1 4 $AutoLink . . 16695 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 6 6 GLY H H 1 8.342 0.005 . 1 1.00 . . . 52 GLY H . 16695 1 2 . 1 1 6 6 GLY C C 13 173.877 0.015 . 1 1.00 . . . 52 GLY C . 16695 1 3 . 1 1 6 6 GLY CA C 13 44.714 0.070 . 1 1.00 . . . 52 GLY CA . 16695 1 4 . 1 1 6 6 GLY N N 15 109.961 0.009 . 1 1.00 . . . 52 GLY N . 16695 1 5 . 1 1 7 7 GLU H H 1 8.296 0.005 . 1 1.00 . . . 53 GLU H . 16695 1 6 . 1 1 7 7 GLU C C 13 176.527 0.014 . 1 1.00 . . . 53 GLU C . 16695 1 7 . 1 1 7 7 GLU CA C 13 55.907 0.013 . 1 1.00 . . . 53 GLU CA . 16695 1 8 . 1 1 7 7 GLU CB C 13 29.006 0.097 . 1 1.00 . . . 53 GLU CB . 16695 1 9 . 1 1 7 7 GLU N N 15 120.571 0.028 . 1 1.00 . . . 53 GLU N . 16695 1 10 . 1 1 8 8 VAL H H 1 8.151 0.005 . 1 1.00 . . . 54 VAL H . 16695 1 11 . 1 1 8 8 VAL C C 13 175.693 0.029 . 1 1.00 . . . 54 VAL C . 16695 1 12 . 1 1 8 8 VAL CA C 13 61.640 0.045 . 1 1.00 . . . 54 VAL CA . 16695 1 13 . 1 1 8 8 VAL CB C 13 31.914 0.016 . 1 1.00 . . . 54 VAL CB . 16695 1 14 . 1 1 8 8 VAL N N 15 120.419 0.030 . 1 1.00 . . . 54 VAL N . 16695 1 15 . 1 1 9 9 ASP H H 1 8.370 0.005 . 1 1.00 . . . 55 ASP H . 16695 1 16 . 1 1 9 9 ASP C C 13 175.752 0.010 . 1 1.00 . . . 55 ASP C . 16695 1 17 . 1 1 9 9 ASP CA C 13 53.836 0.013 . 1 1.00 . . . 55 ASP CA . 16695 1 18 . 1 1 9 9 ASP CB C 13 40.379 0.010 . 1 1.00 . . . 55 ASP CB . 16695 1 19 . 1 1 9 9 ASP N N 15 124.042 0.034 . 1 1.00 . . . 55 ASP N . 16695 1 20 . 1 1 10 10 SER H H 1 8.158 0.005 . 1 1.00 . . . 56 SER H . 16695 1 21 . 1 1 10 10 SER C C 13 174.068 0.010 . 1 1.00 . . . 56 SER C . 16695 1 22 . 1 1 10 10 SER CA C 13 57.201 0.014 . 1 1.00 . . . 56 SER CA . 16695 1 23 . 1 1 10 10 SER CB C 13 62.921 0.010 . 1 1.00 . . . 56 SER CB . 16695 1 24 . 1 1 10 10 SER N N 15 116.512 0.009 . 1 1.00 . . . 56 SER N . 16695 1 25 . 1 1 11 11 SER H H 1 8.218 0.005 . 1 1.00 . . . 57 SER H . 16695 1 26 . 1 1 11 11 SER C C 13 174.127 0.010 . 1 1.00 . . . 57 SER C . 16695 1 27 . 1 1 11 11 SER CA C 13 57.724 0.010 . 1 1.00 . . . 57 SER CA . 16695 1 28 . 1 1 11 11 SER CB C 13 62.277 0.010 . 1 1.00 . . . 57 SER CB . 16695 1 29 . 1 1 11 11 SER N N 15 118.121 0.008 . 1 1.00 . . . 57 SER N . 16695 1 30 . 1 1 12 12 PRO C C 13 177.507 0.022 . 1 1.00 . . . 58 PRO C . 16695 1 31 . 1 1 12 12 PRO CA C 13 64.893 0.021 . 1 1.00 . . . 58 PRO CA . 16695 1 32 . 1 1 12 12 PRO CB C 13 30.820 0.084 . 1 1.00 . . . 58 PRO CB . 16695 1 33 . 1 1 13 13 GLY H H 1 8.442 0.005 . 1 1.00 . . . 59 GLY H . 16695 1 34 . 1 1 13 13 GLY C C 13 174.645 0.010 . 1 1.00 . . . 59 GLY C . 16695 1 35 . 1 1 13 13 GLY CA C 13 45.708 0.043 . 1 1.00 . . . 59 GLY CA . 16695 1 36 . 1 1 13 13 GLY N N 15 105.599 0.042 . 1 1.00 . . . 59 GLY N . 16695 1 37 . 1 1 14 14 ILE H H 1 6.819 0.005 . 1 1.00 . . . 60 ILE H . 16695 1 38 . 1 1 14 14 ILE C C 13 174.957 0.059 . 1 1.00 . . . 60 ILE C . 16695 1 39 . 1 1 14 14 ILE CA C 13 61.537 0.013 . 1 1.00 . . . 60 ILE CA . 16695 1 40 . 1 1 14 14 ILE CB C 13 37.249 0.065 . 1 1.00 . . . 60 ILE CB . 16695 1 41 . 1 1 14 14 ILE N N 15 120.049 0.008 . 1 1.00 . . . 60 ILE N . 16695 1 42 . 1 1 15 15 TRP H H 1 8.824 0.005 . 1 1.00 . . . 61 TRP H . 16695 1 43 . 1 1 15 15 TRP C C 13 175.083 0.054 . 1 1.00 . . . 61 TRP C . 16695 1 44 . 1 1 15 15 TRP CA C 13 55.389 0.013 . 1 1.00 . . . 61 TRP CA . 16695 1 45 . 1 1 15 15 TRP CB C 13 31.314 0.010 . 1 1.00 . . . 61 TRP CB . 16695 1 46 . 1 1 15 15 TRP N N 15 127.817 0.008 . 1 1.00 . . . 61 TRP N . 16695 1 47 . 1 1 16 16 GLN H H 1 9.245 0.005 . 1 1.00 . . . 62 GLN H . 16695 1 48 . 1 1 16 16 GLN C C 13 174.978 0.018 . 1 1.00 . . . 62 GLN C . 16695 1 49 . 1 1 16 16 GLN CA C 13 53.698 0.025 . 1 1.00 . . . 62 GLN CA . 16695 1 50 . 1 1 16 16 GLN CB C 13 30.565 0.069 . 1 1.00 . . . 62 GLN CB . 16695 1 51 . 1 1 16 16 GLN N N 15 119.979 0.009 . 1 1.00 . . . 62 GLN N . 16695 1 52 . 1 1 17 17 LEU H H 1 8.109 0.005 . 1 1.00 . . . 63 LEU H . 16695 1 53 . 1 1 17 17 LEU C C 13 175.770 0.069 . 1 1.00 . . . 63 LEU C . 16695 1 54 . 1 1 17 17 LEU CA C 13 53.395 0.127 . 1 1.00 . . . 63 LEU CA . 16695 1 55 . 1 1 17 17 LEU CB C 13 45.577 0.064 . 1 1.00 . . . 63 LEU CB . 16695 1 56 . 1 1 17 17 LEU N N 15 121.704 0.025 . 1 1.00 . . . 63 LEU N . 16695 1 57 . 1 1 18 18 ASP H H 1 8.948 0.005 . 1 1.00 . . . 64 ASP H . 16695 1 58 . 1 1 18 18 ASP C C 13 174.219 0.026 . 1 1.00 . . . 64 ASP C . 16695 1 59 . 1 1 18 18 ASP CA C 13 53.352 0.032 . 1 1.00 . . . 64 ASP CA . 16695 1 60 . 1 1 18 18 ASP CB C 13 44.141 0.010 . 1 1.00 . . . 64 ASP CB . 16695 1 61 . 1 1 18 18 ASP N N 15 114.971 0.009 . 1 1.00 . . . 64 ASP N . 16695 1 62 . 1 1 19 19 CYS H H 1 8.006 0.005 . 1 1.00 . . . 65 CYS H . 16695 1 63 . 1 1 19 19 CYS C C 13 174.425 0.049 . 1 1.00 . . . 65 CYS C . 16695 1 64 . 1 1 19 19 CYS CA C 13 57.330 0.058 . 1 1.00 . . . 65 CYS CA . 16695 1 65 . 1 1 19 19 CYS CB C 13 30.138 0.070 . 1 1.00 . . . 65 CYS CB . 16695 1 66 . 1 1 19 19 CYS N N 15 115.577 0.049 . 1 1.00 . . . 65 CYS N . 16695 1 67 . 1 1 20 20 THR H H 1 9.284 0.005 . 1 1.00 . . . 66 THR H . 16695 1 68 . 1 1 20 20 THR C C 13 171.158 0.015 . 1 1.00 . . . 66 THR C . 16695 1 69 . 1 1 20 20 THR CA C 13 59.919 0.013 . 1 1.00 . . . 66 THR CA . 16695 1 70 . 1 1 20 20 THR CB C 13 69.787 0.111 . 1 1.00 . . . 66 THR CB . 16695 1 71 . 1 1 20 20 THR N N 15 120.112 0.008 . 1 1.00 . . . 66 THR N . 16695 1 72 . 1 1 21 21 HIS H H 1 8.014 0.005 . 1 1.00 . . . 67 HIS H . 16695 1 73 . 1 1 21 21 HIS C C 13 174.709 0.075 . 1 1.00 . . . 67 HIS C . 16695 1 74 . 1 1 21 21 HIS CA C 13 54.858 0.029 . 1 1.00 . . . 67 HIS CA . 16695 1 75 . 1 1 21 21 HIS CB C 13 31.913 0.017 . 1 1.00 . . . 67 HIS CB . 16695 1 76 . 1 1 21 21 HIS N N 15 121.458 0.008 . 1 1.00 . . . 67 HIS N . 16695 1 77 . 1 1 22 22 LEU H H 1 8.289 0.005 . 1 1.00 . . . 68 LEU H . 16695 1 78 . 1 1 22 22 LEU C C 13 175.202 0.048 . 1 1.00 . . . 68 LEU C . 16695 1 79 . 1 1 22 22 LEU CA C 13 54.794 0.054 . 1 1.00 . . . 68 LEU CA . 16695 1 80 . 1 1 22 22 LEU CB C 13 45.612 0.070 . 1 1.00 . . . 68 LEU CB . 16695 1 81 . 1 1 22 22 LEU N N 15 123.516 0.008 . 1 1.00 . . . 68 LEU N . 16695 1 82 . 1 1 23 23 GLU H H 1 9.244 0.005 . 1 1.00 . . . 69 GLU H . 16695 1 83 . 1 1 23 23 GLU C C 13 175.914 0.048 . 1 1.00 . . . 69 GLU C . 16695 1 84 . 1 1 23 23 GLU CA C 13 56.489 0.013 . 1 1.00 . . . 69 GLU CA . 16695 1 85 . 1 1 23 23 GLU CB C 13 26.599 0.061 . 1 1.00 . . . 69 GLU CB . 16695 1 86 . 1 1 23 23 GLU N N 15 121.069 0.017 . 1 1.00 . . . 69 GLU N . 16695 1 87 . 1 1 24 24 GLY H H 1 8.725 0.005 . 1 1.00 . . . 70 GLY H . 16695 1 88 . 1 1 24 24 GLY C C 13 174.192 0.010 . 1 1.00 . . . 70 GLY C . 16695 1 89 . 1 1 24 24 GLY CA C 13 45.087 0.029 . 1 1.00 . . . 70 GLY CA . 16695 1 90 . 1 1 24 24 GLY N N 15 104.823 0.008 . 1 1.00 . . . 70 GLY N . 16695 1 91 . 1 1 25 25 LYS H H 1 8.298 0.005 . 1 1.00 . . . 71 LYS H . 16695 1 92 . 1 1 25 25 LYS C C 13 174.780 0.014 . 1 1.00 . . . 71 LYS C . 16695 1 93 . 1 1 25 25 LYS CA C 13 53.512 0.013 . 1 1.00 . . . 71 LYS CA . 16695 1 94 . 1 1 25 25 LYS CB C 13 32.957 0.076 . 1 1.00 . . . 71 LYS CB . 16695 1 95 . 1 1 25 25 LYS N N 15 121.458 0.009 . 1 1.00 . . . 71 LYS N . 16695 1 96 . 1 1 26 26 VAL H H 1 8.474 0.005 . 1 1.00 . . . 72 VAL H . 16695 1 97 . 1 1 26 26 VAL C C 13 173.714 0.048 . 1 1.00 . . . 72 VAL C . 16695 1 98 . 1 1 26 26 VAL CA C 13 60.975 0.017 . 1 1.00 . . . 72 VAL CA . 16695 1 99 . 1 1 26 26 VAL CB C 13 31.240 0.010 . 1 1.00 . . . 72 VAL CB . 16695 1 100 . 1 1 26 26 VAL N N 15 120.769 0.060 . 1 1.00 . . . 72 VAL N . 16695 1 101 . 1 1 27 27 ILE H H 1 8.674 0.007 . 1 1.00 . . . 73 ILE H . 16695 1 102 . 1 1 27 27 ILE C C 13 174.660 0.022 . 1 1.00 . . . 73 ILE C . 16695 1 103 . 1 1 27 27 ILE CA C 13 59.011 0.015 . 1 1.00 . . . 73 ILE CA . 16695 1 104 . 1 1 27 27 ILE CB C 13 38.539 0.010 . 1 1.00 . . . 73 ILE CB . 16695 1 105 . 1 1 27 27 ILE N N 15 125.548 0.031 . 1 1.00 . . . 73 ILE N . 16695 1 106 . 1 1 28 28 LEU H H 1 8.569 0.005 . 1 1.00 . . . 74 LEU H . 16695 1 107 . 1 1 28 28 LEU CA C 13 53.566 0.010 . 1 1.00 . . . 74 LEU CA . 16695 1 108 . 1 1 28 28 LEU CB C 13 41.635 0.010 . 1 1.00 . . . 74 LEU CB . 16695 1 109 . 1 1 28 28 LEU N N 15 130.577 0.009 . 1 1.00 . . . 74 LEU N . 16695 1 110 . 1 1 29 29 VAL C C 13 173.431 0.022 . 1 1.00 . . . 75 VAL C . 16695 1 111 . 1 1 29 29 VAL CA C 13 60.562 0.017 . 1 1.00 . . . 75 VAL CA . 16695 1 112 . 1 1 29 29 VAL CB C 13 33.820 0.010 . 1 1.00 . . . 75 VAL CB . 16695 1 113 . 1 1 30 30 ALA H H 1 9.487 0.005 . 1 1.00 . . . 76 ALA H . 16695 1 114 . 1 1 30 30 ALA C C 13 175.271 0.010 . 1 1.00 . . . 76 ALA C . 16695 1 115 . 1 1 30 30 ALA CA C 13 49.352 0.043 . 1 1.00 . . . 76 ALA CA . 16695 1 116 . 1 1 30 30 ALA CB C 13 22.762 0.010 . 1 1.00 . . . 76 ALA CB . 16695 1 117 . 1 1 30 30 ALA N N 15 127.240 0.008 . 1 1.00 . . . 76 ALA N . 16695 1 118 . 1 1 31 31 VAL H H 1 9.504 0.005 . 1 1.00 . . . 77 VAL H . 16695 1 119 . 1 1 31 31 VAL C C 13 174.142 0.022 . 1 1.00 . . . 77 VAL C . 16695 1 120 . 1 1 31 31 VAL CA C 13 58.435 0.022 . 1 1.00 . . . 77 VAL CA . 16695 1 121 . 1 1 31 31 VAL CB C 13 34.593 0.070 . 1 1.00 . . . 77 VAL CB . 16695 1 122 . 1 1 31 31 VAL N N 15 118.556 0.008 . 1 1.00 . . . 77 VAL N . 16695 1 123 . 1 1 32 32 HIS H H 1 8.836 0.005 . 1 1.00 . . . 78 HIS H . 16695 1 124 . 1 1 32 32 HIS C C 13 175.374 0.016 . 1 1.00 . . . 78 HIS C . 16695 1 125 . 1 1 32 32 HIS CA C 13 55.777 0.013 . 1 1.00 . . . 78 HIS CA . 16695 1 126 . 1 1 32 32 HIS CB C 13 27.882 0.056 . 1 1.00 . . . 78 HIS CB . 16695 1 127 . 1 1 32 32 HIS N N 15 131.413 0.009 . 1 1.00 . . . 78 HIS N . 16695 1 128 . 1 1 33 33 VAL H H 1 6.690 0.005 . 1 1.00 . . . 79 VAL H . 16695 1 129 . 1 1 33 33 VAL C C 13 176.986 0.016 . 1 1.00 . . . 79 VAL C . 16695 1 130 . 1 1 33 33 VAL CA C 13 66.416 0.043 . 1 1.00 . . . 79 VAL CA . 16695 1 131 . 1 1 33 33 VAL CB C 13 30.010 0.040 . 1 1.00 . . . 79 VAL CB . 16695 1 132 . 1 1 33 33 VAL N N 15 127.628 0.008 . 1 1.00 . . . 79 VAL N . 16695 1 133 . 1 1 34 34 ALA H H 1 8.502 0.005 . 1 1.00 . . . 80 ALA H . 16695 1 134 . 1 1 34 34 ALA C C 13 177.532 0.031 . 1 1.00 . . . 80 ALA C . 16695 1 135 . 1 1 34 34 ALA CA C 13 53.512 0.013 . 1 1.00 . . . 80 ALA CA . 16695 1 136 . 1 1 34 34 ALA CB C 13 17.897 0.010 . 1 1.00 . . . 80 ALA CB . 16695 1 137 . 1 1 34 34 ALA N N 15 117.091 0.008 . 1 1.00 . . . 80 ALA N . 16695 1 138 . 1 1 35 35 SER H H 1 7.151 0.005 . 1 1.00 . . . 81 SER H . 16695 1 139 . 1 1 35 35 SER C C 13 175.339 0.058 . 1 1.00 . . . 81 SER C . 16695 1 140 . 1 1 35 35 SER CA C 13 58.612 0.029 . 1 1.00 . . . 81 SER CA . 16695 1 141 . 1 1 35 35 SER CB C 13 64.336 0.063 . 1 1.00 . . . 81 SER CB . 16695 1 142 . 1 1 35 35 SER N N 15 107.844 0.009 . 1 1.00 . . . 81 SER N . 16695 1 143 . 1 1 36 36 GLY H H 1 8.481 0.005 . 1 1.00 . . . 82 GLY H . 16695 1 144 . 1 1 36 36 GLY C C 13 172.635 0.036 . 1 1.00 . . . 82 GLY C . 16695 1 145 . 1 1 36 36 GLY CA C 13 45.385 0.043 . 1 1.00 . . . 82 GLY CA . 16695 1 146 . 1 1 36 36 GLY N N 15 111.820 0.016 . 1 1.00 . . . 82 GLY N . 16695 1 147 . 1 1 37 37 TYR H H 1 8.131 0.005 . 1 1.00 . . . 83 TYR H . 16695 1 148 . 1 1 37 37 TYR C C 13 173.546 0.028 . 1 1.00 . . . 83 TYR C . 16695 1 149 . 1 1 37 37 TYR CA C 13 58.445 0.011 . 1 1.00 . . . 83 TYR CA . 16695 1 150 . 1 1 37 37 TYR CB C 13 38.749 0.010 . 1 1.00 . . . 83 TYR CB . 16695 1 151 . 1 1 37 37 TYR N N 15 123.192 0.008 . 1 1.00 . . . 83 TYR N . 16695 1 152 . 1 1 38 38 ILE H H 1 7.913 0.008 . 1 1.00 . . . 84 ILE H . 16695 1 153 . 1 1 38 38 ILE C C 13 174.142 0.022 . 1 1.00 . . . 84 ILE C . 16695 1 154 . 1 1 38 38 ILE CA C 13 58.159 0.077 . 1 1.00 . . . 84 ILE CA . 16695 1 155 . 1 1 38 38 ILE CB C 13 41.517 0.164 . 1 1.00 . . . 84 ILE CB . 16695 1 156 . 1 1 38 38 ILE N N 15 122.808 0.127 . 1 1.00 . . . 84 ILE N . 16695 1 157 . 1 1 39 39 GLU H H 1 8.737 0.005 . 1 1.00 . . . 85 GLU H . 16695 1 158 . 1 1 39 39 GLU C C 13 173.982 0.010 . 1 1.00 . . . 85 GLU C . 16695 1 159 . 1 1 39 39 GLU CA C 13 55.566 0.027 . 1 1.00 . . . 85 GLU CA . 16695 1 160 . 1 1 39 39 GLU CB C 13 32.918 0.010 . 1 1.00 . . . 85 GLU CB . 16695 1 161 . 1 1 39 39 GLU N N 15 117.347 0.009 . 1 1.00 . . . 85 GLU N . 16695 1 162 . 1 1 40 40 ALA H H 1 8.311 0.005 . 1 1.00 . . . 86 ALA H . 16695 1 163 . 1 1 40 40 ALA C C 13 176.078 0.018 . 1 1.00 . . . 86 ALA C . 16695 1 164 . 1 1 40 40 ALA CA C 13 50.599 0.015 . 1 1.00 . . . 86 ALA CA . 16695 1 165 . 1 1 40 40 ALA CB C 13 22.615 0.086 . 1 1.00 . . . 86 ALA CB . 16695 1 166 . 1 1 40 40 ALA N N 15 120.427 0.008 . 1 1.00 . . . 86 ALA N . 16695 1 167 . 1 1 41 41 GLU H H 1 8.546 0.005 . 1 1.00 . . . 87 GLU H . 16695 1 168 . 1 1 41 41 GLU C C 13 174.892 0.020 . 1 1.00 . . . 87 GLU C . 16695 1 169 . 1 1 41 41 GLU CA C 13 55.702 0.049 . 1 1.00 . . . 87 GLU CA . 16695 1 170 . 1 1 41 41 GLU CB C 13 33.609 0.076 . 1 1.00 . . . 87 GLU CB . 16695 1 171 . 1 1 41 41 GLU N N 15 115.559 0.024 . 1 1.00 . . . 87 GLU N . 16695 1 172 . 1 1 42 42 VAL H H 1 8.270 0.005 . 1 1.00 . . . 88 VAL H . 16695 1 173 . 1 1 42 42 VAL C C 13 176.133 0.025 . 1 1.00 . . . 88 VAL C . 16695 1 174 . 1 1 42 42 VAL CA C 13 62.287 0.045 . 1 1.00 . . . 88 VAL CA . 16695 1 175 . 1 1 42 42 VAL CB C 13 31.004 0.010 . 1 1.00 . . . 88 VAL CB . 16695 1 176 . 1 1 42 42 VAL N N 15 123.512 0.009 . 1 1.00 . . . 88 VAL N . 16695 1 177 . 1 1 43 43 ILE H H 1 8.692 0.005 . 1 1.00 . . . 89 ILE H . 16695 1 178 . 1 1 43 43 ILE C C 13 174.451 0.010 . 1 1.00 . . . 89 ILE C . 16695 1 179 . 1 1 43 43 ILE CA C 13 57.466 0.010 . 1 1.00 . . . 89 ILE CA . 16695 1 180 . 1 1 43 43 ILE CB C 13 38.392 0.010 . 1 1.00 . . . 89 ILE CB . 16695 1 181 . 1 1 43 43 ILE N N 15 123.256 0.008 . 1 1.00 . . . 89 ILE N . 16695 1 182 . 1 1 44 44 PRO C C 13 175.825 0.022 . 1 1.00 . . . 90 PRO C . 16695 1 183 . 1 1 44 44 PRO CA C 13 64.250 0.017 . 1 1.00 . . . 90 PRO CA . 16695 1 184 . 1 1 44 44 PRO CB C 13 31.055 0.086 . 1 1.00 . . . 90 PRO CB . 16695 1 185 . 1 1 45 45 ALA H H 1 6.915 0.005 . 1 1.00 . . . 91 ALA H . 16695 1 186 . 1 1 45 45 ALA C C 13 175.007 0.010 . 1 1.00 . . . 91 ALA C . 16695 1 187 . 1 1 45 45 ALA CA C 13 50.600 0.013 . 1 1.00 . . . 91 ALA CA . 16695 1 188 . 1 1 45 45 ALA CB C 13 21.645 0.080 . 1 1.00 . . . 91 ALA CB . 16695 1 189 . 1 1 45 45 ALA N N 15 113.884 0.008 . 1 1.00 . . . 91 ALA N . 16695 1 190 . 1 1 46 46 GLU H H 1 9.027 0.005 . 1 1.00 . . . 92 GLU H . 16695 1 191 . 1 1 46 46 GLU C C 13 175.183 0.018 . 1 1.00 . . . 92 GLU C . 16695 1 192 . 1 1 46 46 GLU CA C 13 54.295 0.010 . 1 1.00 . . . 92 GLU CA . 16695 1 193 . 1 1 46 46 GLU CB C 13 27.798 0.075 . 1 1.00 . . . 92 GLU CB . 16695 1 194 . 1 1 46 46 GLU N N 15 124.286 0.008 . 1 1.00 . . . 92 GLU N . 16695 1 195 . 1 1 47 47 THR H H 1 7.618 0.005 . 1 1.00 . . . 93 THR H . 16695 1 196 . 1 1 47 47 THR C C 13 177.880 0.010 . 1 1.00 . . . 93 THR C . 16695 1 197 . 1 1 47 47 THR CA C 13 58.242 0.010 . 1 1.00 . . . 93 THR CA . 16695 1 198 . 1 1 47 47 THR CB C 13 71.877 0.010 . 1 1.00 . . . 93 THR CB . 16695 1 199 . 1 1 47 47 THR N N 15 108.805 0.008 . 1 1.00 . . . 93 THR N . 16695 1 200 . 1 1 48 48 GLY C C 13 175.458 0.010 . 1 1.00 . . . 94 GLY C . 16695 1 201 . 1 1 48 48 GLY CA C 13 46.774 0.021 . 1 1.00 . . . 94 GLY CA . 16695 1 202 . 1 1 49 49 GLN H H 1 8.922 0.005 . 1 1.00 . . . 95 GLN H . 16695 1 203 . 1 1 49 49 GLN C C 13 178.995 0.022 . 1 1.00 . . . 95 GLN C . 16695 1 204 . 1 1 49 49 GLN CA C 13 59.528 0.033 . 1 1.00 . . . 95 GLN CA . 16695 1 205 . 1 1 49 49 GLN CB C 13 27.537 0.084 . 1 1.00 . . . 95 GLN CB . 16695 1 206 . 1 1 49 49 GLN N N 15 120.879 0.009 . 1 1.00 . . . 95 GLN N . 16695 1 207 . 1 1 50 50 GLU H H 1 7.368 0.005 . 1 1.00 . . . 96 GLU H . 16695 1 208 . 1 1 50 50 GLU C C 13 179.780 0.021 . 1 1.00 . . . 96 GLU C . 16695 1 209 . 1 1 50 50 GLU CA C 13 57.715 0.014 . 1 1.00 . . . 96 GLU CA . 16695 1 210 . 1 1 50 50 GLU CB C 13 28.591 0.111 . 1 1.00 . . . 96 GLU CB . 16695 1 211 . 1 1 50 50 GLU N N 15 115.998 0.009 . 1 1.00 . . . 96 GLU N . 16695 1 212 . 1 1 51 51 THR H H 1 7.910 0.012 . 1 1.00 . . . 97 THR H . 16695 1 213 . 1 1 51 51 THR C C 13 174.919 0.022 . 1 1.00 . . . 97 THR C . 16695 1 214 . 1 1 51 51 THR CA C 13 66.095 0.034 . 1 1.00 . . . 97 THR CA . 16695 1 215 . 1 1 51 51 THR CB C 13 67.050 0.202 . 1 1.00 . . . 97 THR CB . 16695 1 216 . 1 1 51 51 THR N N 15 117.401 0.054 . 1 1.00 . . . 97 THR N . 16695 1 217 . 1 1 52 52 ALA H H 1 8.897 0.005 . 1 1.00 . . . 98 ALA H . 16695 1 218 . 1 1 52 52 ALA C C 13 177.828 0.029 . 1 1.00 . . . 98 ALA C . 16695 1 219 . 1 1 52 52 ALA CA C 13 55.001 0.013 . 1 1.00 . . . 98 ALA CA . 16695 1 220 . 1 1 52 52 ALA CB C 13 17.284 0.107 . 1 1.00 . . . 98 ALA CB . 16695 1 221 . 1 1 52 52 ALA N N 15 123.835 0.008 . 1 1.00 . . . 98 ALA N . 16695 1 222 . 1 1 53 53 TYR H H 1 7.408 0.005 . 1 1.00 . . . 99 TYR H . 16695 1 223 . 1 1 53 53 TYR C C 13 176.135 0.028 . 1 1.00 . . . 99 TYR C . 16695 1 224 . 1 1 53 53 TYR CA C 13 60.572 0.010 . 1 1.00 . . . 99 TYR CA . 16695 1 225 . 1 1 53 53 TYR CB C 13 36.816 0.034 . 1 1.00 . . . 99 TYR CB . 16695 1 226 . 1 1 53 53 TYR N N 15 116.445 0.019 . 1 1.00 . . . 99 TYR N . 16695 1 227 . 1 1 54 54 PHE H H 1 7.429 0.005 . 1 1.00 . . . 100 PHE H . 16695 1 228 . 1 1 54 54 PHE C C 13 177.482 0.039 . 1 1.00 . . . 100 PHE C . 16695 1 229 . 1 1 54 54 PHE CA C 13 61.154 0.010 . 1 1.00 . . . 100 PHE CA . 16695 1 230 . 1 1 54 54 PHE CB C 13 39.234 0.075 . 1 1.00 . . . 100 PHE CB . 16695 1 231 . 1 1 54 54 PHE N N 15 117.280 0.013 . 1 1.00 . . . 100 PHE N . 16695 1 232 . 1 1 55 55 LEU H H 1 8.428 0.005 . 1 1.00 . . . 101 LEU H . 16695 1 233 . 1 1 55 55 LEU C C 13 177.658 0.010 . 1 1.00 . . . 101 LEU C . 16695 1 234 . 1 1 55 55 LEU CA C 13 57.340 0.074 . 1 1.00 . . . 101 LEU CA . 16695 1 235 . 1 1 55 55 LEU CB C 13 41.680 0.010 . 1 1.00 . . . 101 LEU CB . 16695 1 236 . 1 1 55 55 LEU N N 15 119.402 0.009 . 1 1.00 . . . 101 LEU N . 16695 1 237 . 1 1 56 56 LEU H H 1 8.211 0.007 . 1 1.00 . . . 102 LEU H . 16695 1 238 . 1 1 56 56 LEU C C 13 179.868 0.040 . 1 1.00 . . . 102 LEU C . 16695 1 239 . 1 1 56 56 LEU CA C 13 57.336 0.010 . 1 1.00 . . . 102 LEU CA . 16695 1 240 . 1 1 56 56 LEU CB C 13 40.903 0.086 . 1 1.00 . . . 102 LEU CB . 16695 1 241 . 1 1 56 56 LEU N N 15 118.034 0.030 . 1 1.00 . . . 102 LEU N . 16695 1 242 . 1 1 57 57 LYS H H 1 7.425 0.006 . 1 1.00 . . . 103 LYS H . 16695 1 243 . 1 1 57 57 LYS C C 13 178.847 0.010 . 1 1.00 . . . 103 LYS C . 16695 1 244 . 1 1 57 57 LYS CA C 13 58.963 0.028 . 1 1.00 . . . 103 LYS CA . 16695 1 245 . 1 1 57 57 LYS CB C 13 30.958 0.025 . 1 1.00 . . . 103 LYS CB . 16695 1 246 . 1 1 57 57 LYS N N 15 119.100 0.045 . 1 1.00 . . . 103 LYS N . 16695 1 247 . 1 1 58 58 LEU H H 1 7.658 0.005 . 1 1.00 . . . 104 LEU H . 16695 1 248 . 1 1 58 58 LEU C C 13 178.333 0.010 . 1 1.00 . . . 104 LEU C . 16695 1 249 . 1 1 58 58 LEU CA C 13 57.628 0.045 . 1 1.00 . . . 104 LEU CA . 16695 1 250 . 1 1 58 58 LEU CB C 13 41.732 0.041 . 1 1.00 . . . 104 LEU CB . 16695 1 251 . 1 1 58 58 LEU N N 15 121.002 0.023 . 1 1.00 . . . 104 LEU N . 16695 1 252 . 1 1 59 59 ALA H H 1 8.475 0.005 . 1 1.00 . . . 105 ALA H . 16695 1 253 . 1 1 59 59 ALA C C 13 178.295 0.023 . 1 1.00 . . . 105 ALA C . 16695 1 254 . 1 1 59 59 ALA CA C 13 52.860 0.019 . 1 1.00 . . . 105 ALA CA . 16695 1 255 . 1 1 59 59 ALA CB C 13 17.209 0.010 . 1 1.00 . . . 105 ALA CB . 16695 1 256 . 1 1 59 59 ALA N N 15 116.257 0.008 . 1 1.00 . . . 105 ALA N . 16695 1 257 . 1 1 60 60 GLY H H 1 7.652 0.005 . 1 1.00 . . . 106 GLY H . 16695 1 258 . 1 1 60 60 GLY C C 13 173.993 0.038 . 1 1.00 . . . 106 GLY C . 16695 1 259 . 1 1 60 60 GLY CA C 13 45.945 0.021 . 1 1.00 . . . 106 GLY CA . 16695 1 260 . 1 1 60 60 GLY N N 15 101.548 0.008 . 1 1.00 . . . 106 GLY N . 16695 1 261 . 1 1 61 61 ARG H H 1 7.368 0.005 . 1 1.00 . . . 107 ARG H . 16695 1 262 . 1 1 61 61 ARG C C 13 174.513 0.034 . 1 1.00 . . . 107 ARG C . 16695 1 263 . 1 1 61 61 ARG CA C 13 56.515 0.043 . 1 1.00 . . . 107 ARG CA . 16695 1 264 . 1 1 61 61 ARG CB C 13 30.384 0.123 . 1 1.00 . . . 107 ARG CB . 16695 1 265 . 1 1 61 61 ARG N N 15 121.769 0.025 . 1 1.00 . . . 107 ARG N . 16695 1 266 . 1 1 62 62 TRP H H 1 7.540 0.005 . 1 1.00 . . . 108 TRP H . 16695 1 267 . 1 1 62 62 TRP C C 13 174.791 0.010 . 1 1.00 . . . 108 TRP C . 16695 1 268 . 1 1 62 62 TRP CA C 13 52.289 0.010 . 1 1.00 . . . 108 TRP CA . 16695 1 269 . 1 1 62 62 TRP N N 15 116.770 0.008 . 1 1.00 . . . 108 TRP N . 16695 1 270 . 1 1 63 63 PRO C C 13 176.553 0.032 . 1 1.00 . . . 109 PRO C . 16695 1 271 . 1 1 63 63 PRO CA C 13 61.425 0.048 . 1 1.00 . . . 109 PRO CA . 16695 1 272 . 1 1 63 63 PRO CB C 13 27.773 0.086 . 1 1.00 . . . 109 PRO CB . 16695 1 273 . 1 1 64 64 VAL H H 1 9.224 0.005 . 1 1.00 . . . 110 VAL H . 16695 1 274 . 1 1 64 64 VAL C C 13 174.717 0.015 . 1 1.00 . . . 110 VAL C . 16695 1 275 . 1 1 64 64 VAL CA C 13 62.774 0.010 . 1 1.00 . . . 110 VAL CA . 16695 1 276 . 1 1 64 64 VAL CB C 13 30.823 0.047 . 1 1.00 . . . 110 VAL CB . 16695 1 277 . 1 1 64 64 VAL N N 15 131.028 0.008 . 1 1.00 . . . 110 VAL N . 16695 1 278 . 1 1 65 65 LYS H H 1 9.033 0.005 . 1 1.00 . . . 111 LYS H . 16695 1 279 . 1 1 65 65 LYS C C 13 177.169 0.030 . 1 1.00 . . . 111 LYS C . 16695 1 280 . 1 1 65 65 LYS CA C 13 56.036 0.013 . 1 1.00 . . . 111 LYS CA . 16695 1 281 . 1 1 65 65 LYS CB C 13 33.147 0.069 . 1 1.00 . . . 111 LYS CB . 16695 1 282 . 1 1 65 65 LYS N N 15 125.624 0.024 . 1 1.00 . . . 111 LYS N . 16695 1 283 . 1 1 66 66 THR H H 1 7.968 0.005 . 1 1.00 . . . 112 THR H . 16695 1 284 . 1 1 66 66 THR C C 13 173.050 0.020 . 1 1.00 . . . 112 THR C . 16695 1 285 . 1 1 66 66 THR CA C 13 60.825 0.013 . 1 1.00 . . . 112 THR CA . 16695 1 286 . 1 1 66 66 THR CB C 13 72.141 0.103 . 1 1.00 . . . 112 THR CB . 16695 1 287 . 1 1 66 66 THR N N 15 116.737 0.030 . 1 1.00 . . . 112 THR N . 16695 1 288 . 1 1 67 67 VAL H H 1 8.811 0.005 . 1 1.00 . . . 113 VAL H . 16695 1 289 . 1 1 67 67 VAL C C 13 173.496 0.032 . 1 1.00 . . . 113 VAL C . 16695 1 290 . 1 1 67 67 VAL CA C 13 58.172 0.013 . 1 1.00 . . . 113 VAL CA . 16695 1 291 . 1 1 67 67 VAL CB C 13 33.186 0.070 . 1 1.00 . . . 113 VAL CB . 16695 1 292 . 1 1 67 67 VAL N N 15 120.094 0.051 . 1 1.00 . . . 113 VAL N . 16695 1 293 . 1 1 68 68 HIS H H 1 9.091 0.005 . 1 1.00 . . . 114 HIS H . 16695 1 294 . 1 1 68 68 HIS C C 13 174.879 0.021 . 1 1.00 . . . 114 HIS C . 16695 1 295 . 1 1 68 68 HIS CA C 13 53.849 0.057 . 1 1.00 . . . 114 HIS CA . 16695 1 296 . 1 1 68 68 HIS CB C 13 31.038 0.068 . 1 1.00 . . . 114 HIS CB . 16695 1 297 . 1 1 68 68 HIS N N 15 126.788 0.009 . 1 1.00 . . . 114 HIS N . 16695 1 298 . 1 1 69 69 THR H H 1 8.144 0.014 . 1 1.00 . . . 115 THR H . 16695 1 299 . 1 1 69 69 THR C C 13 173.095 0.026 . 1 1.00 . . . 115 THR C . 16695 1 300 . 1 1 69 69 THR CA C 13 59.220 0.035 . 1 1.00 . . . 115 THR CA . 16695 1 301 . 1 1 69 69 THR CB C 13 71.982 0.058 . 1 1.00 . . . 115 THR CB . 16695 1 302 . 1 1 69 69 THR N N 15 113.518 0.059 . 1 1.00 . . . 115 THR N . 16695 1 303 . 1 1 70 70 ASP H H 1 8.783 0.005 . 1 1.00 . . . 116 ASP H . 16695 1 304 . 1 1 70 70 ASP C C 13 174.589 0.019 . 1 1.00 . . . 116 ASP C . 16695 1 305 . 1 1 70 70 ASP CA C 13 52.159 0.010 . 1 1.00 . . . 116 ASP CA . 16695 1 306 . 1 1 70 70 ASP CB C 13 39.677 0.111 . 1 1.00 . . . 116 ASP CB . 16695 1 307 . 1 1 70 70 ASP N N 15 117.875 0.028 . 1 1.00 . . . 116 ASP N . 16695 1 308 . 1 1 71 71 ASN H H 1 7.857 0.005 . 1 1.00 . . . 117 ASN H . 16695 1 309 . 1 1 71 71 ASN C C 13 175.992 0.016 . 1 1.00 . . . 117 ASN C . 16695 1 310 . 1 1 71 71 ASN CA C 13 52.316 0.078 . 1 1.00 . . . 117 ASN CA . 16695 1 311 . 1 1 71 71 ASN CB C 13 37.122 0.079 . 1 1.00 . . . 117 ASN CB . 16695 1 312 . 1 1 71 71 ASN N N 15 111.827 0.008 . 1 1.00 . . . 117 ASN N . 16695 1 313 . 1 1 72 72 GLY H H 1 9.061 0.005 . 1 1.00 . . . 118 GLY H . 16695 1 314 . 1 1 72 72 GLY C C 13 175.745 0.010 . 1 1.00 . . . 118 GLY C . 16695 1 315 . 1 1 72 72 GLY CA C 13 46.077 0.010 . 1 1.00 . . . 118 GLY CA . 16695 1 316 . 1 1 72 72 GLY N N 15 108.736 0.024 . 1 1.00 . . . 118 GLY N . 16695 1 317 . 1 1 73 73 SER C C 13 175.551 0.010 . 1 1.00 . . . 119 SER C . 16695 1 318 . 1 1 73 73 SER CA C 13 60.735 0.032 . 1 1.00 . . . 119 SER CA . 16695 1 319 . 1 1 73 73 SER CB C 13 62.004 0.086 . 1 1.00 . . . 119 SER CB . 16695 1 320 . 1 1 74 74 ASN H H 1 8.663 0.010 . 1 1.00 . . . 120 ASN H . 16695 1 321 . 1 1 74 74 ASN C C 13 175.959 0.018 . 1 1.00 . . . 120 ASN C . 16695 1 322 . 1 1 74 74 ASN CA C 13 55.971 0.013 . 1 1.00 . . . 120 ASN CA . 16695 1 323 . 1 1 74 74 ASN CB C 13 34.120 0.136 . 1 1.00 . . . 120 ASN CB . 16695 1 324 . 1 1 74 74 ASN N N 15 115.168 0.008 . 1 1.00 . . . 120 ASN N . 16695 1 325 . 1 1 75 75 PHE H H 1 7.467 0.005 . 1 1.00 . . . 121 PHE H . 16695 1 326 . 1 1 75 75 PHE C C 13 177.168 0.031 . 1 1.00 . . . 121 PHE C . 16695 1 327 . 1 1 75 75 PHE CA C 13 60.054 0.010 . 1 1.00 . . . 121 PHE CA . 16695 1 328 . 1 1 75 75 PHE CB C 13 38.377 0.104 . 1 1.00 . . . 121 PHE CB . 16695 1 329 . 1 1 75 75 PHE N N 15 118.018 0.038 . 1 1.00 . . . 121 PHE N . 16695 1 330 . 1 1 76 76 THR H H 1 7.871 0.009 . 1 1.00 . . . 122 THR H . 16695 1 331 . 1 1 76 76 THR C C 13 174.178 0.055 . 1 1.00 . . . 122 THR C . 16695 1 332 . 1 1 76 76 THR CA C 13 61.231 0.048 . 1 1.00 . . . 122 THR CA . 16695 1 333 . 1 1 76 76 THR CB C 13 68.150 0.105 . 1 1.00 . . . 122 THR CB . 16695 1 334 . 1 1 76 76 THR N N 15 108.329 0.100 . 1 1.00 . . . 122 THR N . 16695 1 335 . 1 1 77 77 SER H H 1 6.755 0.005 . 1 1.00 . . . 123 SER H . 16695 1 336 . 1 1 77 77 SER C C 13 176.456 0.010 . 1 1.00 . . . 123 SER C . 16695 1 337 . 1 1 77 77 SER CA C 13 57.660 0.010 . 1 1.00 . . . 123 SER CA . 16695 1 338 . 1 1 77 77 SER CB C 13 64.300 0.010 . 1 1.00 . . . 123 SER CB . 16695 1 339 . 1 1 77 77 SER N N 15 114.836 0.026 . 1 1.00 . . . 123 SER N . 16695 1 340 . 1 1 79 79 THR C C 13 177.039 0.010 . 1 1.00 . . . 125 THR C . 16695 1 341 . 1 1 79 79 THR CA C 13 65.286 0.017 . 1 1.00 . . . 125 THR CA . 16695 1 342 . 1 1 79 79 THR CB C 13 67.866 0.086 . 1 1.00 . . . 125 THR CB . 16695 1 343 . 1 1 80 80 VAL H H 1 7.279 0.005 . 1 1.00 . . . 126 VAL H . 16695 1 344 . 1 1 80 80 VAL C C 13 177.110 0.021 . 1 1.00 . . . 126 VAL C . 16695 1 345 . 1 1 80 80 VAL CA C 13 66.649 0.013 . 1 1.00 . . . 126 VAL CA . 16695 1 346 . 1 1 80 80 VAL CB C 13 30.607 0.070 . 1 1.00 . . . 126 VAL CB . 16695 1 347 . 1 1 80 80 VAL N N 15 123.350 0.123 . 1 1.00 . . . 126 VAL N . 16695 1 348 . 1 1 81 81 LYS H H 1 7.809 0.005 . 1 1.00 . . . 127 LYS H . 16695 1 349 . 1 1 81 81 LYS C C 13 178.934 0.029 . 1 1.00 . . . 127 LYS C . 16695 1 350 . 1 1 81 81 LYS CA C 13 59.527 0.012 . 1 1.00 . . . 127 LYS CA . 16695 1 351 . 1 1 81 81 LYS CB C 13 31.040 0.164 . 1 1.00 . . . 127 LYS CB . 16695 1 352 . 1 1 81 81 LYS N N 15 123.045 0.031 . 1 1.00 . . . 127 LYS N . 16695 1 353 . 1 1 82 82 ALA H H 1 8.282 0.005 . 1 1.00 . . . 128 ALA H . 16695 1 354 . 1 1 82 82 ALA C C 13 180.772 0.043 . 1 1.00 . . . 128 ALA C . 16695 1 355 . 1 1 82 82 ALA CA C 13 54.489 0.010 . 1 1.00 . . . 128 ALA CA . 16695 1 356 . 1 1 82 82 ALA CB C 13 17.488 0.128 . 1 1.00 . . . 128 ALA CB . 16695 1 357 . 1 1 82 82 ALA N N 15 119.427 0.033 . 1 1.00 . . . 128 ALA N . 16695 1 358 . 1 1 83 83 ALA H H 1 7.593 0.005 . 1 1.00 . . . 129 ALA H . 16695 1 359 . 1 1 83 83 ALA C C 13 179.311 0.015 . 1 1.00 . . . 129 ALA C . 16695 1 360 . 1 1 83 83 ALA CA C 13 54.845 0.032 . 1 1.00 . . . 129 ALA CA . 16695 1 361 . 1 1 83 83 ALA CB C 13 16.938 0.010 . 1 1.00 . . . 129 ALA CB . 16695 1 362 . 1 1 83 83 ALA N N 15 122.362 0.064 . 1 1.00 . . . 129 ALA N . 16695 1 363 . 1 1 84 84 CYS H H 1 8.499 0.007 . 1 1.00 . . . 130 CYS H . 16695 1 364 . 1 1 84 84 CYS C C 13 177.479 0.050 . 1 1.00 . . . 130 CYS C . 16695 1 365 . 1 1 84 84 CYS CA C 13 64.711 0.010 . 1 1.00 . . . 130 CYS CA . 16695 1 366 . 1 1 84 84 CYS CB C 13 24.783 0.119 . 1 1.00 . . . 130 CYS CB . 16695 1 367 . 1 1 84 84 CYS N N 15 115.162 0.144 . 1 1.00 . . . 130 CYS N . 16695 1 368 . 1 1 85 85 GLU H H 1 8.645 0.005 . 1 1.00 . . . 131 GLU H . 16695 1 369 . 1 1 85 85 GLU C C 13 179.569 0.021 . 1 1.00 . . . 131 GLU C . 16695 1 370 . 1 1 85 85 GLU CA C 13 58.882 0.015 . 1 1.00 . . . 131 GLU CA . 16695 1 371 . 1 1 85 85 GLU CB C 13 28.149 0.028 . 1 1.00 . . . 131 GLU CB . 16695 1 372 . 1 1 85 85 GLU N N 15 120.066 0.080 . 1 1.00 . . . 131 GLU N . 16695 1 373 . 1 1 86 86 TRP H H 1 8.242 0.005 . 1 1.00 . . . 132 TRP H . 16695 1 374 . 1 1 86 86 TRP C C 13 177.696 0.017 . 1 1.00 . . . 132 TRP C . 16695 1 375 . 1 1 86 86 TRP CA C 13 62.060 0.010 . 1 1.00 . . . 132 TRP CA . 16695 1 376 . 1 1 86 86 TRP CB C 13 28.261 0.069 . 1 1.00 . . . 132 TRP CB . 16695 1 377 . 1 1 86 86 TRP N N 15 121.216 0.037 . 1 1.00 . . . 132 TRP N . 16695 1 378 . 1 1 87 87 ALA H H 1 8.035 0.005 . 1 1.00 . . . 133 ALA H . 16695 1 379 . 1 1 87 87 ALA C C 13 176.858 0.016 . 1 1.00 . . . 133 ALA C . 16695 1 380 . 1 1 87 87 ALA CA C 13 51.468 0.043 . 1 1.00 . . . 133 ALA CA . 16695 1 381 . 1 1 87 87 ALA CB C 13 18.424 0.080 . 1 1.00 . . . 133 ALA CB . 16695 1 382 . 1 1 87 87 ALA N N 15 115.741 0.009 . 1 1.00 . . . 133 ALA N . 16695 1 383 . 1 1 88 88 GLY H H 1 7.778 0.005 . 1 1.00 . . . 134 GLY H . 16695 1 384 . 1 1 88 88 GLY C C 13 174.329 0.015 . 1 1.00 . . . 134 GLY C . 16695 1 385 . 1 1 88 88 GLY CA C 13 46.459 0.013 . 1 1.00 . . . 134 GLY CA . 16695 1 386 . 1 1 88 88 GLY N N 15 110.022 0.016 . 1 1.00 . . . 134 GLY N . 16695 1 387 . 1 1 89 89 ILE H H 1 8.719 0.005 . 1 1.00 . . . 135 ILE H . 16695 1 388 . 1 1 89 89 ILE C C 13 175.368 0.036 . 1 1.00 . . . 135 ILE C . 16695 1 389 . 1 1 89 89 ILE CA C 13 60.268 0.043 . 1 1.00 . . . 135 ILE CA . 16695 1 390 . 1 1 89 89 ILE CB C 13 40.153 0.013 . 1 1.00 . . . 135 ILE CB . 16695 1 391 . 1 1 89 89 ILE N N 15 121.337 0.031 . 1 1.00 . . . 135 ILE N . 16695 1 392 . 1 1 90 90 LYS H H 1 8.539 0.005 . 1 1.00 . . . 136 LYS H . 16695 1 393 . 1 1 90 90 LYS C C 13 174.709 0.010 . 1 1.00 . . . 136 LYS C . 16695 1 394 . 1 1 90 90 LYS CA C 13 54.884 0.035 . 1 1.00 . . . 136 LYS CA . 16695 1 395 . 1 1 90 90 LYS CB C 13 32.090 0.067 . 1 1.00 . . . 136 LYS CB . 16695 1 396 . 1 1 90 90 LYS N N 15 128.459 0.008 . 1 1.00 . . . 136 LYS N . 16695 1 397 . 1 1 91 91 GLN H H 1 8.659 0.005 . 1 1.00 . . . 137 GLN H . 16695 1 398 . 1 1 91 91 GLN C C 13 175.033 0.010 . 1 1.00 . . . 137 GLN C . 16695 1 399 . 1 1 91 91 GLN CA C 13 54.546 0.015 . 1 1.00 . . . 137 GLN CA . 16695 1 400 . 1 1 91 91 GLN CB C 13 31.076 0.070 . 1 1.00 . . . 137 GLN CB . 16695 1 401 . 1 1 91 91 GLN N N 15 124.413 0.008 . 1 1.00 . . . 137 GLN N . 16695 1 402 . 1 1 92 92 GLU H H 1 8.470 0.005 . 1 1.00 . . . 138 GLU H . 16695 1 403 . 1 1 92 92 GLU C C 13 174.431 0.043 . 1 1.00 . . . 138 GLU C . 16695 1 404 . 1 1 92 92 GLU CA C 13 53.951 0.017 . 1 1.00 . . . 138 GLU CA . 16695 1 405 . 1 1 92 92 GLU CB C 13 31.038 0.038 . 1 1.00 . . . 138 GLU CB . 16695 1 406 . 1 1 92 92 GLU N N 15 123.901 0.008 . 1 1.00 . . . 138 GLU N . 16695 1 407 . 1 1 93 93 PHE H H 1 8.531 0.005 . 1 1.00 . . . 139 PHE H . 16695 1 408 . 1 1 93 93 PHE C C 13 177.122 0.029 . 1 1.00 . . . 139 PHE C . 16695 1 409 . 1 1 93 93 PHE CA C 13 56.411 0.029 . 1 1.00 . . . 139 PHE CA . 16695 1 410 . 1 1 93 93 PHE CB C 13 39.604 0.057 . 1 1.00 . . . 139 PHE CB . 16695 1 411 . 1 1 93 93 PHE N N 15 121.201 0.008 . 1 1.00 . . . 139 PHE N . 16695 1 412 . 1 1 94 94 GLY H H 1 8.621 0.005 . 1 1.00 . . . 140 GLY H . 16695 1 413 . 1 1 94 94 GLY C C 13 173.532 0.011 . 1 1.00 . . . 140 GLY C . 16695 1 414 . 1 1 94 94 GLY CA C 13 44.492 0.045 . 1 1.00 . . . 140 GLY CA . 16695 1 415 . 1 1 94 94 GLY N N 15 110.085 0.024 . 1 1.00 . . . 140 GLY N . 16695 1 416 . 1 1 95 95 ILE H H 1 8.345 0.005 . 1 1.00 . . . 141 ILE H . 16695 1 417 . 1 1 95 95 ILE C C 13 174.839 0.010 . 1 1.00 . . . 141 ILE C . 16695 1 418 . 1 1 95 95 ILE CA C 13 58.372 0.010 . 1 1.00 . . . 141 ILE CA . 16695 1 419 . 1 1 95 95 ILE CB C 13 37.138 0.010 . 1 1.00 . . . 141 ILE CB . 16695 1 420 . 1 1 95 95 ILE N N 15 122.608 0.023 . 1 1.00 . . . 141 ILE N . 16695 1 421 . 1 1 96 96 PRO C C 13 176.148 0.022 . 1 1.00 . . . 142 PRO C . 16695 1 422 . 1 1 96 96 PRO CA C 13 62.827 0.017 . 1 1.00 . . . 142 PRO CA . 16695 1 423 . 1 1 96 96 PRO CB C 13 30.587 0.086 . 1 1.00 . . . 142 PRO CB . 16695 1 424 . 1 1 97 97 TYR H H 1 8.106 0.005 . 1 1.00 . . . 143 TYR H . 16695 1 425 . 1 1 97 97 TYR C C 13 175.108 0.050 . 1 1.00 . . . 143 TYR C . 16695 1 426 . 1 1 97 97 TYR CA C 13 57.719 0.013 . 1 1.00 . . . 143 TYR CA . 16695 1 427 . 1 1 97 97 TYR CB C 13 37.208 0.115 . 1 1.00 . . . 143 TYR CB . 16695 1 428 . 1 1 97 97 TYR N N 15 119.210 0.009 . 1 1.00 . . . 143 TYR N . 16695 1 429 . 1 1 98 98 ASN H H 1 7.975 0.005 . 1 1.00 . . . 144 ASN H . 16695 1 430 . 1 1 98 98 ASN C C 13 173.609 0.010 . 1 1.00 . . . 144 ASN C . 16695 1 431 . 1 1 98 98 ASN CA C 13 50.542 0.010 . 1 1.00 . . . 144 ASN CA . 16695 1 432 . 1 1 98 98 ASN CB C 13 38.096 0.010 . 1 1.00 . . . 144 ASN CB . 16695 1 433 . 1 1 98 98 ASN N N 15 120.561 0.008 . 1 1.00 . . . 144 ASN N . 16695 1 434 . 1 1 99 99 PRO C C 13 177.868 0.049 . 1 1.00 . . . 145 PRO C . 16695 1 435 . 1 1 99 99 PRO CA C 13 64.099 0.032 . 1 1.00 . . . 145 PRO CA . 16695 1 436 . 1 1 99 99 PRO CB C 13 31.055 0.086 . 1 1.00 . . . 145 PRO CB . 16695 1 437 . 1 1 100 100 GLN H H 1 8.204 0.005 . 1 1.00 . . . 146 GLN H . 16695 1 438 . 1 1 100 100 GLN C C 13 176.768 0.062 . 1 1.00 . . . 146 GLN C . 16695 1 439 . 1 1 100 100 GLN CA C 13 56.560 0.010 . 1 1.00 . . . 146 GLN CA . 16695 1 440 . 1 1 100 100 GLN CB C 13 27.796 0.072 . 1 1.00 . . . 146 GLN CB . 16695 1 441 . 1 1 100 100 GLN N N 15 116.374 0.022 . 1 1.00 . . . 146 GLN N . 16695 1 442 . 1 1 101 101 SER H H 1 7.865 0.005 . 1 1.00 . . . 147 SER H . 16695 1 443 . 1 1 101 101 SER C C 13 174.660 0.022 . 1 1.00 . . . 147 SER C . 16695 1 444 . 1 1 101 101 SER CA C 13 58.469 0.045 . 1 1.00 . . . 147 SER CA . 16695 1 445 . 1 1 101 101 SER CB C 13 62.818 0.270 . 1 1.00 . . . 147 SER CB . 16695 1 446 . 1 1 101 101 SER N N 15 114.491 0.036 . 1 1.00 . . . 147 SER N . 16695 1 447 . 1 1 102 102 GLN H H 1 8.091 0.005 . 1 1.00 . . . 148 GLN H . 16695 1 448 . 1 1 102 102 GLN C C 13 176.717 0.027 . 1 1.00 . . . 148 GLN C . 16695 1 449 . 1 1 102 102 GLN CA C 13 56.101 0.013 . 1 1.00 . . . 148 GLN CA . 16695 1 450 . 1 1 102 102 GLN CB C 13 27.882 0.056 . 1 1.00 . . . 148 GLN CB . 16695 1 451 . 1 1 102 102 GLN N N 15 120.880 0.009 . 1 1.00 . . . 148 GLN N . 16695 1 452 . 1 1 103 103 GLY H H 1 8.377 0.005 . 1 1.00 . . . 149 GLY H . 16695 1 453 . 1 1 103 103 GLY C C 13 175.332 0.048 . 1 1.00 . . . 149 GLY C . 16695 1 454 . 1 1 103 103 GLY CA C 13 45.488 0.013 . 1 1.00 . . . 149 GLY CA . 16695 1 455 . 1 1 103 103 GLY N N 15 108.977 0.032 . 1 1.00 . . . 149 GLY N . 16695 1 456 . 1 1 104 104 VAL H H 1 7.957 0.005 . 1 1.00 . . . 150 VAL H . 16695 1 457 . 1 1 104 104 VAL C C 13 178.312 0.052 . 1 1.00 . . . 150 VAL C . 16695 1 458 . 1 1 104 104 VAL CA C 13 64.850 0.035 . 1 1.00 . . . 150 VAL CA . 16695 1 459 . 1 1 104 104 VAL CB C 13 30.605 0.069 . 1 1.00 . . . 150 VAL CB . 16695 1 460 . 1 1 104 104 VAL N N 15 121.203 0.008 . 1 1.00 . . . 150 VAL N . 16695 1 461 . 1 1 105 105 ILE H H 1 8.059 0.005 . 1 1.00 . . . 151 ILE H . 16695 1 462 . 1 1 105 105 ILE C C 13 176.316 0.010 . 1 1.00 . . . 151 ILE C . 16695 1 463 . 1 1 105 105 ILE CA C 13 62.696 0.016 . 1 1.00 . . . 151 ILE CA . 16695 1 464 . 1 1 105 105 ILE CB C 13 36.253 0.010 . 1 1.00 . . . 151 ILE CB . 16695 1 465 . 1 1 105 105 ILE N N 15 120.237 0.009 . 1 1.00 . . . 151 ILE N . 16695 1 466 . 1 1 106 106 GLU H H 1 8.119 0.005 . 1 1.00 . . . 152 GLU H . 16695 1 467 . 1 1 106 106 GLU C C 13 179.473 0.045 . 1 1.00 . . . 152 GLU C . 16695 1 468 . 1 1 106 106 GLU CA C 13 59.078 0.013 . 1 1.00 . . . 152 GLU CA . 16695 1 469 . 1 1 106 106 GLU CB C 13 27.792 0.069 . 1 1.00 . . . 152 GLU CB . 16695 1 470 . 1 1 106 106 GLU N N 15 121.896 0.035 . 1 1.00 . . . 152 GLU N . 16695 1 471 . 1 1 107 107 SER H H 1 7.884 0.005 . 1 1.00 . . . 153 SER H . 16695 1 472 . 1 1 107 107 SER C C 13 177.248 0.022 . 1 1.00 . . . 153 SER C . 16695 1 473 . 1 1 107 107 SER CA C 13 60.936 0.028 . 1 1.00 . . . 153 SER CA . 16695 1 474 . 1 1 107 107 SER CB C 13 62.096 0.071 . 1 1.00 . . . 153 SER CB . 16695 1 475 . 1 1 107 107 SER N N 15 114.332 0.008 . 1 1.00 . . . 153 SER N . 16695 1 476 . 1 1 108 108 MET H H 1 8.270 0.005 . 1 1.00 . . . 154 MET H . 16695 1 477 . 1 1 108 108 MET C C 13 177.780 0.010 . 1 1.00 . . . 154 MET C . 16695 1 478 . 1 1 108 108 MET CA C 13 56.753 0.040 . 1 1.00 . . . 154 MET CA . 16695 1 479 . 1 1 108 108 MET CB C 13 29.951 0.092 . 1 1.00 . . . 154 MET CB . 16695 1 480 . 1 1 108 108 MET N N 15 121.936 0.048 . 1 1.00 . . . 154 MET N . 16695 1 481 . 1 1 109 109 ASN H H 1 8.612 0.005 . 1 1.00 . . . 155 ASN H . 16695 1 482 . 1 1 109 109 ASN C C 13 177.953 0.020 . 1 1.00 . . . 155 ASN C . 16695 1 483 . 1 1 109 109 ASN CA C 13 55.808 0.047 . 1 1.00 . . . 155 ASN CA . 16695 1 484 . 1 1 109 109 ASN CB C 13 37.151 0.151 . 1 1.00 . . . 155 ASN CB . 16695 1 485 . 1 1 109 109 ASN N N 15 119.788 0.009 . 1 1.00 . . . 155 ASN N . 16695 1 486 . 1 1 110 110 LYS H H 1 7.533 0.005 . 1 1.00 . . . 156 LYS H . 16695 1 487 . 1 1 110 110 LYS C C 13 179.486 0.010 . 1 1.00 . . . 156 LYS C . 16695 1 488 . 1 1 110 110 LYS CA C 13 59.394 0.015 . 1 1.00 . . . 156 LYS CA . 16695 1 489 . 1 1 110 110 LYS CB C 13 31.040 0.164 . 1 1.00 . . . 156 LYS CB . 16695 1 490 . 1 1 110 110 LYS N N 15 118.511 0.047 . 1 1.00 . . . 156 LYS N . 16695 1 491 . 1 1 111 111 GLU H H 1 7.941 0.005 . 1 1.00 . . . 157 GLU H . 16695 1 492 . 1 1 111 111 GLU C C 13 178.547 0.018 . 1 1.00 . . . 157 GLU C . 16695 1 493 . 1 1 111 111 GLU CA C 13 58.508 0.035 . 1 1.00 . . . 157 GLU CA . 16695 1 494 . 1 1 111 111 GLU CB C 13 27.734 0.184 . 1 1.00 . . . 157 GLU CB . 16695 1 495 . 1 1 111 111 GLU N N 15 121.075 0.008 . 1 1.00 . . . 157 GLU N . 16695 1 496 . 1 1 112 112 LEU H H 1 8.789 0.005 . 1 1.00 . . . 158 LEU H . 16695 1 497 . 1 1 112 112 LEU C C 13 178.718 0.010 . 1 1.00 . . . 158 LEU C . 16695 1 498 . 1 1 112 112 LEU CA C 13 57.719 0.013 . 1 1.00 . . . 158 LEU CA . 16695 1 499 . 1 1 112 112 LEU CB C 13 40.218 0.069 . 1 1.00 . . . 158 LEU CB . 16695 1 500 . 1 1 112 112 LEU N N 15 119.531 0.009 . 1 1.00 . . . 158 LEU N . 16695 1 501 . 1 1 113 113 LYS H H 1 7.922 0.005 . 1 1.00 . . . 159 LYS H . 16695 1 502 . 1 1 113 113 LYS C C 13 179.064 0.017 . 1 1.00 . . . 159 LYS C . 16695 1 503 . 1 1 113 113 LYS CA C 13 60.372 0.013 . 1 1.00 . . . 159 LYS CA . 16695 1 504 . 1 1 113 113 LYS CB C 13 31.019 0.010 . 1 1.00 . . . 159 LYS CB . 16695 1 505 . 1 1 113 113 LYS N N 15 115.619 0.014 . 1 1.00 . . . 159 LYS N . 16695 1 506 . 1 1 114 114 LYS H H 1 7.763 0.005 . 1 1.00 . . . 160 LYS H . 16695 1 507 . 1 1 114 114 LYS C C 13 179.456 0.015 . 1 1.00 . . . 160 LYS C . 16695 1 508 . 1 1 114 114 LYS CA C 13 58.948 0.013 . 1 1.00 . . . 160 LYS CA . 16695 1 509 . 1 1 114 114 LYS CB C 13 30.924 0.010 . 1 1.00 . . . 160 LYS CB . 16695 1 510 . 1 1 114 114 LYS N N 15 121.053 0.050 . 1 1.00 . . . 160 LYS N . 16695 1 511 . 1 1 115 115 ILE H H 1 8.183 0.005 . 1 1.00 . . . 161 ILE H . 16695 1 512 . 1 1 115 115 ILE C C 13 178.930 0.022 . 1 1.00 . . . 161 ILE C . 16695 1 513 . 1 1 115 115 ILE CA C 13 64.643 0.013 . 1 1.00 . . . 161 ILE CA . 16695 1 514 . 1 1 115 115 ILE CB C 13 37.359 0.010 . 1 1.00 . . . 161 ILE CB . 16695 1 515 . 1 1 115 115 ILE N N 15 120.430 0.009 . 1 1.00 . . . 161 ILE N . 16695 1 516 . 1 1 116 116 ILE H H 1 8.750 0.005 . 1 1.00 . . . 162 ILE H . 16695 1 517 . 1 1 116 116 ILE C C 13 177.766 0.022 . 1 1.00 . . . 162 ILE C . 16695 1 518 . 1 1 116 116 ILE CA C 13 65.497 0.057 . 1 1.00 . . . 162 ILE CA . 16695 1 519 . 1 1 116 116 ILE CB C 13 36.718 0.031 . 1 1.00 . . . 162 ILE CB . 16695 1 520 . 1 1 116 116 ILE N N 15 119.457 0.028 . 1 1.00 . . . 162 ILE N . 16695 1 521 . 1 1 117 117 GLY H H 1 7.744 0.005 . 1 1.00 . . . 163 GLY H . 16695 1 522 . 1 1 117 117 GLY C C 13 175.983 0.014 . 1 1.00 . . . 163 GLY C . 16695 1 523 . 1 1 117 117 GLY CA C 13 46.498 0.045 . 1 1.00 . . . 163 GLY CA . 16695 1 524 . 1 1 117 117 GLY N N 15 102.965 0.008 . 1 1.00 . . . 163 GLY N . 16695 1 525 . 1 1 118 118 GLN H H 1 7.717 0.005 . 1 1.00 . . . 164 GLN H . 16695 1 526 . 1 1 118 118 GLN C C 13 178.246 0.067 . 1 1.00 . . . 164 GLN C . 16695 1 527 . 1 1 118 118 GLN CA C 13 57.576 0.054 . 1 1.00 . . . 164 GLN CA . 16695 1 528 . 1 1 118 118 GLN CB C 13 27.765 0.010 . 1 1.00 . . . 164 GLN CB . 16695 1 529 . 1 1 118 118 GLN N N 15 119.401 0.009 . 1 1.00 . . . 164 GLN N . 16695 1 530 . 1 1 119 119 VAL H H 1 7.660 0.005 . 1 1.00 . . . 165 VAL H . 16695 1 531 . 1 1 119 119 VAL C C 13 177.349 0.125 . 1 1.00 . . . 165 VAL C . 16695 1 532 . 1 1 119 119 VAL CA C 13 60.507 0.010 . 1 1.00 . . . 165 VAL CA . 16695 1 533 . 1 1 119 119 VAL CB C 13 32.012 0.069 . 1 1.00 . . . 165 VAL CB . 16695 1 534 . 1 1 119 119 VAL N N 15 109.983 0.037 . 1 1.00 . . . 165 VAL N . 16695 1 535 . 1 1 120 120 ARG H H 1 7.765 0.005 . 1 1.00 . . . 166 ARG H . 16695 1 536 . 1 1 120 120 ARG C C 13 177.121 0.031 . 1 1.00 . . . 166 ARG C . 16695 1 537 . 1 1 120 120 ARG CA C 13 57.719 0.013 . 1 1.00 . . . 166 ARG CA . 16695 1 538 . 1 1 120 120 ARG CB C 13 27.766 0.060 . 1 1.00 . . . 166 ARG CB . 16695 1 539 . 1 1 120 120 ARG N N 15 122.294 0.008 . 1 1.00 . . . 166 ARG N . 16695 1 540 . 1 1 121 121 ASP H H 1 8.383 0.005 . 1 1.00 . . . 167 ASP H . 16695 1 541 . 1 1 121 121 ASP C C 13 177.113 0.014 . 1 1.00 . . . 167 ASP C . 16695 1 542 . 1 1 121 121 ASP CA C 13 54.509 0.029 . 1 1.00 . . . 167 ASP CA . 16695 1 543 . 1 1 121 121 ASP CB C 13 38.987 0.092 . 1 1.00 . . . 167 ASP CB . 16695 1 544 . 1 1 121 121 ASP N N 15 113.746 0.020 . 1 1.00 . . . 167 ASP N . 16695 1 545 . 1 1 122 122 GLN H H 1 8.179 0.005 . 1 1.00 . . . 168 GLN H . 16695 1 546 . 1 1 122 122 GLN C C 13 174.749 0.048 . 1 1.00 . . . 168 GLN C . 16695 1 547 . 1 1 122 122 GLN CA C 13 55.493 0.056 . 1 1.00 . . . 168 GLN CA . 16695 1 548 . 1 1 122 122 GLN CB C 13 27.846 0.010 . 1 1.00 . . . 168 GLN CB . 16695 1 549 . 1 1 122 122 GLN N N 15 117.666 0.015 . 1 1.00 . . . 168 GLN N . 16695 1 550 . 1 1 123 123 ALA H H 1 7.519 0.005 . 1 1.00 . . . 169 ALA H . 16695 1 551 . 1 1 123 123 ALA C C 13 176.258 0.037 . 1 1.00 . . . 169 ALA C . 16695 1 552 . 1 1 123 123 ALA CA C 13 50.238 0.043 . 1 1.00 . . . 169 ALA CA . 16695 1 553 . 1 1 123 123 ALA CB C 13 21.435 0.010 . 1 1.00 . . . 169 ALA CB . 16695 1 554 . 1 1 123 123 ALA N N 15 120.815 0.009 . 1 1.00 . . . 169 ALA N . 16695 1 555 . 1 1 124 124 GLU H H 1 8.409 0.005 . 1 1.00 . . . 170 GLU H . 16695 1 556 . 1 1 124 124 GLU C C 13 177.190 0.039 . 1 1.00 . . . 170 GLU C . 16695 1 557 . 1 1 124 124 GLU CA C 13 58.146 0.045 . 1 1.00 . . . 170 GLU CA . 16695 1 558 . 1 1 124 124 GLU CB C 13 28.899 0.100 . 1 1.00 . . . 170 GLU CB . 16695 1 559 . 1 1 124 124 GLU N N 15 120.036 0.024 . 1 1.00 . . . 170 GLU N . 16695 1 560 . 1 1 125 125 HIS H H 1 7.869 0.005 . 1 1.00 . . . 171 HIS H . 16695 1 561 . 1 1 125 125 HIS C C 13 176.133 0.010 . 1 1.00 . . . 171 HIS C . 16695 1 562 . 1 1 125 125 HIS CA C 13 54.748 0.010 . 1 1.00 . . . 171 HIS CA . 16695 1 563 . 1 1 125 125 HIS CB C 13 32.051 0.010 . 1 1.00 . . . 171 HIS CB . 16695 1 564 . 1 1 125 125 HIS N N 15 115.836 0.038 . 1 1.00 . . . 171 HIS N . 16695 1 565 . 1 1 126 126 LEU C C 13 178.607 0.022 . 1 1.00 . . . 172 LEU C . 16695 1 566 . 1 1 126 126 LEU CA C 13 57.607 0.048 . 1 1.00 . . . 172 LEU CA . 16695 1 567 . 1 1 126 126 LEU CB C 13 39.117 0.010 . 1 1.00 . . . 172 LEU CB . 16695 1 568 . 1 1 127 127 LYS H H 1 9.429 0.005 . 1 1.00 . . . 173 LYS H . 16695 1 569 . 1 1 127 127 LYS C C 13 178.380 0.057 . 1 1.00 . . . 173 LYS C . 16695 1 570 . 1 1 127 127 LYS CA C 13 59.550 0.018 . 1 1.00 . . . 173 LYS CA . 16695 1 571 . 1 1 127 127 LYS CB C 13 29.516 0.010 . 1 1.00 . . . 173 LYS CB . 16695 1 572 . 1 1 127 127 LYS N N 15 115.612 0.009 . 1 1.00 . . . 173 LYS N . 16695 1 573 . 1 1 128 128 THR H H 1 7.059 0.005 . 1 1.00 . . . 174 THR H . 16695 1 574 . 1 1 128 128 THR C C 13 175.538 0.010 . 1 1.00 . . . 174 THR C . 16695 1 575 . 1 1 128 128 THR CA C 13 66.151 0.017 . 1 1.00 . . . 174 THR CA . 16695 1 576 . 1 1 128 128 THR CB C 13 67.385 0.062 . 1 1.00 . . . 174 THR CB . 16695 1 577 . 1 1 128 128 THR N N 15 117.668 0.009 . 1 1.00 . . . 174 THR N . 16695 1 578 . 1 1 129 129 ALA H H 1 7.525 0.005 . 1 1.00 . . . 175 ALA H . 16695 1 579 . 1 1 129 129 ALA C C 13 178.895 0.042 . 1 1.00 . . . 175 ALA C . 16695 1 580 . 1 1 129 129 ALA CA C 13 54.548 0.013 . 1 1.00 . . . 175 ALA CA . 16695 1 581 . 1 1 129 129 ALA CB C 13 17.444 0.065 . 1 1.00 . . . 175 ALA CB . 16695 1 582 . 1 1 129 129 ALA N N 15 124.532 0.028 . 1 1.00 . . . 175 ALA N . 16695 1 583 . 1 1 130 130 VAL H H 1 8.566 0.005 . 1 1.00 . . . 176 VAL H . 16695 1 584 . 1 1 130 130 VAL C C 13 176.695 0.037 . 1 1.00 . . . 176 VAL C . 16695 1 585 . 1 1 130 130 VAL CA C 13 66.519 0.013 . 1 1.00 . . . 176 VAL CA . 16695 1 586 . 1 1 130 130 VAL CB C 13 30.533 0.108 . 1 1.00 . . . 176 VAL CB . 16695 1 587 . 1 1 130 130 VAL N N 15 115.221 0.022 . 1 1.00 . . . 176 VAL N . 16695 1 588 . 1 1 131 131 GLN H H 1 7.061 0.005 . 1 1.00 . . . 177 GLN H . 16695 1 589 . 1 1 131 131 GLN C C 13 180.196 0.023 . 1 1.00 . . . 177 GLN C . 16695 1 590 . 1 1 131 131 GLN CA C 13 56.230 0.116 . 1 1.00 . . . 177 GLN CA . 16695 1 591 . 1 1 131 131 GLN CB C 13 25.637 0.010 . 1 1.00 . . . 177 GLN CB . 16695 1 592 . 1 1 131 131 GLN N N 15 114.008 0.008 . 1 1.00 . . . 177 GLN N . 16695 1 593 . 1 1 132 132 MET H H 1 8.253 0.005 . 1 1.00 . . . 178 MET H . 16695 1 594 . 1 1 132 132 MET C C 13 176.911 0.022 . 1 1.00 . . . 178 MET C . 16695 1 595 . 1 1 132 132 MET CA C 13 59.141 0.015 . 1 1.00 . . . 178 MET CA . 16695 1 596 . 1 1 132 132 MET CB C 13 32.280 0.105 . 1 1.00 . . . 178 MET CB . 16695 1 597 . 1 1 132 132 MET N N 15 120.312 0.010 . 1 1.00 . . . 178 MET N . 16695 1 598 . 1 1 133 133 ALA H H 1 8.146 0.005 . 1 1.00 . . . 179 ALA H . 16695 1 599 . 1 1 133 133 ALA C C 13 178.856 0.010 . 1 1.00 . . . 179 ALA C . 16695 1 600 . 1 1 133 133 ALA CA C 13 54.535 0.029 . 1 1.00 . . . 179 ALA CA . 16695 1 601 . 1 1 133 133 ALA CB C 13 19.236 0.031 . 1 1.00 . . . 179 ALA CB . 16695 1 602 . 1 1 133 133 ALA N N 15 120.808 0.024 . 1 1.00 . . . 179 ALA N . 16695 1 603 . 1 1 134 134 VAL H H 1 8.313 0.005 . 1 1.00 . . . 180 VAL H . 16695 1 604 . 1 1 134 134 VAL C C 13 176.725 0.018 . 1 1.00 . . . 180 VAL C . 16695 1 605 . 1 1 134 134 VAL CA C 13 66.843 0.013 . 1 1.00 . . . 180 VAL CA . 16695 1 606 . 1 1 134 134 VAL CB C 13 31.067 0.064 . 1 1.00 . . . 180 VAL CB . 16695 1 607 . 1 1 134 134 VAL N N 15 119.336 0.103 . 1 1.00 . . . 180 VAL N . 16695 1 608 . 1 1 135 135 PHE H H 1 7.895 0.005 . 1 1.00 . . . 181 PHE H . 16695 1 609 . 1 1 135 135 PHE C C 13 176.597 0.017 . 1 1.00 . . . 181 PHE C . 16695 1 610 . 1 1 135 135 PHE CA C 13 61.588 0.029 . 1 1.00 . . . 181 PHE CA . 16695 1 611 . 1 1 135 135 PHE CB C 13 38.042 0.101 . 1 1.00 . . . 181 PHE CB . 16695 1 612 . 1 1 135 135 PHE N N 15 119.064 0.130 . 1 1.00 . . . 181 PHE N . 16695 1 613 . 1 1 136 136 ILE H H 1 8.698 0.005 . 1 1.00 . . . 182 ILE H . 16695 1 614 . 1 1 136 136 ILE C C 13 179.219 0.061 . 1 1.00 . . . 182 ILE C . 16695 1 615 . 1 1 136 136 ILE CA C 13 64.643 0.013 . 1 1.00 . . . 182 ILE CA . 16695 1 616 . 1 1 136 136 ILE CB C 13 37.404 0.069 . 1 1.00 . . . 182 ILE CB . 16695 1 617 . 1 1 136 136 ILE N N 15 118.430 0.029 . 1 1.00 . . . 182 ILE N . 16695 1 618 . 1 1 137 137 HIS H H 1 8.823 0.005 . 1 1.00 . . . 183 HIS H . 16695 1 619 . 1 1 137 137 HIS C C 13 177.668 0.010 . 1 1.00 . . . 183 HIS C . 16695 1 620 . 1 1 137 137 HIS CA C 13 60.359 0.062 . 1 1.00 . . . 183 HIS CA . 16695 1 621 . 1 1 137 137 HIS CB C 13 28.874 0.135 . 1 1.00 . . . 183 HIS CB . 16695 1 622 . 1 1 137 137 HIS N N 15 116.833 0.009 . 1 1.00 . . . 183 HIS N . 16695 1 623 . 1 1 138 138 ASN H H 1 8.948 0.005 . 1 1.00 . . . 184 ASN H . 16695 1 624 . 1 1 138 138 ASN C C 13 177.159 0.032 . 1 1.00 . . . 184 ASN C . 16695 1 625 . 1 1 138 138 ASN CA C 13 54.930 0.022 . 1 1.00 . . . 184 ASN CA . 16695 1 626 . 1 1 138 138 ASN CB C 13 37.377 0.063 . 1 1.00 . . . 184 ASN CB . 16695 1 627 . 1 1 138 138 ASN N N 15 116.513 0.008 . 1 1.00 . . . 184 ASN N . 16695 1 628 . 1 1 139 139 LYS H H 1 7.893 0.005 . 1 1.00 . . . 185 LYS H . 16695 1 629 . 1 1 139 139 LYS C C 13 177.761 0.018 . 1 1.00 . . . 185 LYS C . 16695 1 630 . 1 1 139 139 LYS CA C 13 54.748 0.129 . 1 1.00 . . . 185 LYS CA . 16695 1 631 . 1 1 139 139 LYS CB C 13 31.059 0.061 . 1 1.00 . . . 185 LYS CB . 16695 1 632 . 1 1 139 139 LYS N N 15 114.522 0.008 . 1 1.00 . . . 185 LYS N . 16695 1 633 . 1 1 140 140 LYS H H 1 7.159 0.005 . 1 1.00 . . . 186 LYS H . 16695 1 634 . 1 1 140 140 LYS C C 13 176.537 0.032 . 1 1.00 . . . 186 LYS C . 16695 1 635 . 1 1 140 140 LYS CA C 13 56.877 0.013 . 1 1.00 . . . 186 LYS CA . 16695 1 636 . 1 1 140 140 LYS CB C 13 31.055 0.086 . 1 1.00 . . . 186 LYS CB . 16695 1 637 . 1 1 140 140 LYS N N 15 120.619 0.016 . 1 1.00 . . . 186 LYS N . 16695 1 638 . 1 1 141 141 ARG H H 1 8.732 0.005 . 1 1.00 . . . 187 ARG H . 16695 1 639 . 1 1 141 141 ARG C C 13 176.174 0.023 . 1 1.00 . . . 187 ARG C . 16695 1 640 . 1 1 141 141 ARG CA C 13 55.977 0.010 . 1 1.00 . . . 187 ARG CA . 16695 1 641 . 1 1 141 141 ARG CB C 13 29.403 0.064 . 1 1.00 . . . 187 ARG CB . 16695 1 642 . 1 1 141 141 ARG N N 15 126.920 0.008 . 1 1.00 . . . 187 ARG N . 16695 1 643 . 1 1 142 142 LYS H H 1 8.033 0.005 . 1 1.00 . . . 188 LYS H . 16695 1 644 . 1 1 142 142 LYS C C 13 176.765 0.086 . 1 1.00 . . . 188 LYS C . 16695 1 645 . 1 1 142 142 LYS CA C 13 55.966 0.014 . 1 1.00 . . . 188 LYS CA . 16695 1 646 . 1 1 142 142 LYS CB C 13 32.051 0.010 . 1 1.00 . . . 188 LYS CB . 16695 1 647 . 1 1 142 142 LYS N N 15 124.545 0.010 . 1 1.00 . . . 188 LYS N . 16695 1 648 . 1 1 143 143 GLY H H 1 8.520 0.005 . 1 1.00 . . . 189 GLY H . 16695 1 649 . 1 1 143 143 GLY C C 13 174.515 0.010 . 1 1.00 . . . 189 GLY C . 16695 1 650 . 1 1 143 143 GLY CA C 13 44.671 0.060 . 1 1.00 . . . 189 GLY CA . 16695 1 651 . 1 1 143 143 GLY N N 15 110.342 0.010 . 1 1.00 . . . 189 GLY N . 16695 1 652 . 1 1 144 144 GLY H H 1 8.107 0.005 . 1 1.00 . . . 190 GLY H . 16695 1 653 . 1 1 144 144 GLY C C 13 174.521 0.041 . 1 1.00 . . . 190 GLY C . 16695 1 654 . 1 1 144 144 GLY CA C 13 44.236 0.056 . 1 1.00 . . . 190 GLY CA . 16695 1 655 . 1 1 144 144 GLY N N 15 108.484 0.008 . 1 1.00 . . . 190 GLY N . 16695 1 656 . 1 1 145 145 ILE H H 1 8.245 0.005 . 1 1.00 . . . 191 ILE H . 16695 1 657 . 1 1 145 145 ILE C C 13 177.485 0.035 . 1 1.00 . . . 191 ILE C . 16695 1 658 . 1 1 145 145 ILE CA C 13 62.060 0.010 . 1 1.00 . . . 191 ILE CA . 16695 1 659 . 1 1 145 145 ILE CB C 13 36.669 0.065 . 1 1.00 . . . 191 ILE CB . 16695 1 660 . 1 1 145 145 ILE N N 15 121.384 0.038 . 1 1.00 . . . 191 ILE N . 16695 1 661 . 1 1 146 146 GLY H H 1 8.653 0.005 . 1 1.00 . . . 192 GLY H . 16695 1 662 . 1 1 146 146 GLY C C 13 174.651 0.014 . 1 1.00 . . . 192 GLY C . 16695 1 663 . 1 1 146 146 GLY CA C 13 44.735 0.095 . 1 1.00 . . . 192 GLY CA . 16695 1 664 . 1 1 146 146 GLY N N 15 113.141 0.039 . 1 1.00 . . . 192 GLY N . 16695 1 665 . 1 1 147 147 GLY H H 1 7.888 0.005 . 1 1.00 . . . 193 GLY H . 16695 1 666 . 1 1 147 147 GLY C C 13 173.221 0.010 . 1 1.00 . . . 193 GLY C . 16695 1 667 . 1 1 147 147 GLY CA C 13 44.473 0.077 . 1 1.00 . . . 193 GLY CA . 16695 1 668 . 1 1 147 147 GLY N N 15 108.110 0.015 . 1 1.00 . . . 193 GLY N . 16695 1 669 . 1 1 148 148 TYR H H 1 7.731 0.005 . 1 1.00 . . . 194 TYR H . 16695 1 670 . 1 1 148 148 TYR C C 13 176.456 0.010 . 1 1.00 . . . 194 TYR C . 16695 1 671 . 1 1 148 148 TYR CA C 13 55.977 0.010 . 1 1.00 . . . 194 TYR CA . 16695 1 672 . 1 1 148 148 TYR CB C 13 39.468 0.078 . 1 1.00 . . . 194 TYR CB . 16695 1 673 . 1 1 148 148 TYR N N 15 117.281 0.012 . 1 1.00 . . . 194 TYR N . 16695 1 674 . 1 1 149 149 SER H H 1 8.813 0.005 . 1 1.00 . . . 195 SER H . 16695 1 675 . 1 1 149 149 SER C C 13 175.298 0.014 . 1 1.00 . . . 195 SER C . 16695 1 676 . 1 1 149 149 SER CA C 13 56.054 0.055 . 1 1.00 . . . 195 SER CA . 16695 1 677 . 1 1 149 149 SER CB C 13 65.521 0.061 . 1 1.00 . . . 195 SER CB . 16695 1 678 . 1 1 149 149 SER N N 15 117.797 0.008 . 1 1.00 . . . 195 SER N . 16695 1 679 . 1 1 150 150 ALA H H 1 9.850 0.005 . 1 1.00 . . . 196 ALA H . 16695 1 680 . 1 1 150 150 ALA C C 13 179.730 0.042 . 1 1.00 . . . 196 ALA C . 16695 1 681 . 1 1 150 150 ALA CA C 13 55.493 0.045 . 1 1.00 . . . 196 ALA CA . 16695 1 682 . 1 1 150 150 ALA CB C 13 16.054 0.010 . 1 1.00 . . . 196 ALA CB . 16695 1 683 . 1 1 150 150 ALA N N 15 125.634 0.008 . 1 1.00 . . . 196 ALA N . 16695 1 684 . 1 1 151 151 GLY H H 1 8.969 0.005 . 1 1.00 . . . 197 GLY H . 16695 1 685 . 1 1 151 151 GLY C C 13 175.882 0.015 . 1 1.00 . . . 197 GLY C . 16695 1 686 . 1 1 151 151 GLY CA C 13 46.226 0.043 . 1 1.00 . . . 197 GLY CA . 16695 1 687 . 1 1 151 151 GLY N N 15 102.323 0.008 . 1 1.00 . . . 197 GLY N . 16695 1 688 . 1 1 152 152 GLU H H 1 7.504 0.005 . 1 1.00 . . . 198 GLU H . 16695 1 689 . 1 1 152 152 GLU C C 13 178.265 0.078 . 1 1.00 . . . 198 GLU C . 16695 1 690 . 1 1 152 152 GLU CA C 13 57.680 0.043 . 1 1.00 . . . 198 GLU CA . 16695 1 691 . 1 1 152 152 GLU CB C 13 28.924 0.071 . 1 1.00 . . . 198 GLU CB . 16695 1 692 . 1 1 152 152 GLU N N 15 119.923 0.017 . 1 1.00 . . . 198 GLU N . 16695 1 693 . 1 1 153 153 ARG H H 1 8.647 0.005 . 1 1.00 . . . 199 ARG H . 16695 1 694 . 1 1 153 153 ARG C C 13 178.397 0.010 . 1 1.00 . . . 199 ARG C . 16695 1 695 . 1 1 153 153 ARG CA C 13 58.405 0.045 . 1 1.00 . . . 199 ARG CA . 16695 1 696 . 1 1 153 153 ARG CB C 13 29.121 0.118 . 1 1.00 . . . 199 ARG CB . 16695 1 697 . 1 1 153 153 ARG N N 15 119.468 0.008 . 1 1.00 . . . 199 ARG N . 16695 1 698 . 1 1 154 154 ILE H H 1 8.307 0.005 . 1 1.00 . . . 200 ILE H . 16695 1 699 . 1 1 154 154 ILE C C 13 175.565 0.038 . 1 1.00 . . . 200 ILE C . 16695 1 700 . 1 1 154 154 ILE CA C 13 65.930 0.022 . 1 1.00 . . . 200 ILE CA . 16695 1 701 . 1 1 154 154 ILE CB C 13 34.295 0.010 . 1 1.00 . . . 200 ILE CB . 16695 1 702 . 1 1 154 154 ILE N N 15 117.216 0.012 . 1 1.00 . . . 200 ILE N . 16695 1 703 . 1 1 155 155 VAL H H 1 6.149 0.005 . 1 1.00 . . . 201 VAL H . 16695 1 704 . 1 1 155 155 VAL C C 13 176.602 0.015 . 1 1.00 . . . 201 VAL C . 16695 1 705 . 1 1 155 155 VAL CA C 13 66.243 0.030 . 1 1.00 . . . 201 VAL CA . 16695 1 706 . 1 1 155 155 VAL CB C 13 30.107 0.170 . 1 1.00 . . . 201 VAL CB . 16695 1 707 . 1 1 155 155 VAL N N 15 119.134 0.008 . 1 1.00 . . . 201 VAL N . 16695 1 708 . 1 1 156 156 ASP H H 1 7.831 0.005 . 1 1.00 . . . 202 ASP H . 16695 1 709 . 1 1 156 156 ASP C C 13 179.051 0.022 . 1 1.00 . . . 202 ASP C . 16695 1 710 . 1 1 156 156 ASP CA C 13 57.194 0.015 . 1 1.00 . . . 202 ASP CA . 16695 1 711 . 1 1 156 156 ASP CB C 13 41.580 0.073 . 1 1.00 . . . 202 ASP CB . 16695 1 712 . 1 1 156 156 ASP N N 15 118.586 0.029 . 1 1.00 . . . 202 ASP N . 16695 1 713 . 1 1 157 157 ILE H H 1 8.522 0.005 . 1 1.00 . . . 203 ILE H . 16695 1 714 . 1 1 157 157 ILE C C 13 178.935 0.018 . 1 1.00 . . . 203 ILE C . 16695 1 715 . 1 1 157 157 ILE CA C 13 64.635 0.010 . 1 1.00 . . . 203 ILE CA . 16695 1 716 . 1 1 157 157 ILE CB C 13 37.441 0.071 . 1 1.00 . . . 203 ILE CB . 16695 1 717 . 1 1 157 157 ILE N N 15 119.608 0.026 . 1 1.00 . . . 203 ILE N . 16695 1 718 . 1 1 158 158 ILE H H 1 8.350 0.005 . 1 0.67 . . . 204 ILE H . 16695 1 719 . 1 1 158 158 ILE C C 13 178.165 0.010 . 1 0.67 . . . 204 ILE C . 16695 1 720 . 1 1 158 158 ILE CA C 13 63.814 0.035 . 1 0.67 . . . 204 ILE CA . 16695 1 721 . 1 1 158 158 ILE CB C 13 35.772 0.078 . 1 0.67 . . . 204 ILE CB . 16695 1 722 . 1 1 158 158 ILE N N 15 119.945 0.134 . 1 0.67 . . . 204 ILE N . 16695 1 723 . 1 1 159 159 ALA H H 1 8.819 0.005 . 1 0.67 . . . 205 ALA H . 16695 1 724 . 1 1 159 159 ALA C C 13 180.152 0.015 . 1 0.67 . . . 205 ALA C . 16695 1 725 . 1 1 159 159 ALA CA C 13 54.613 0.013 . 1 0.67 . . . 205 ALA CA . 16695 1 726 . 1 1 159 159 ALA CB C 13 17.299 0.093 . 1 0.67 . . . 205 ALA CB . 16695 1 727 . 1 1 159 159 ALA N N 15 122.296 0.009 . 1 0.67 . . . 205 ALA N . 16695 1 728 . 1 1 160 160 THR H H 1 7.888 0.005 . 1 0.67 . . . 206 THR H . 16695 1 729 . 1 1 160 160 THR C C 13 175.292 0.030 . 1 0.67 . . . 206 THR C . 16695 1 730 . 1 1 160 160 THR CA C 13 64.526 0.035 . 1 0.67 . . . 206 THR CA . 16695 1 731 . 1 1 160 160 THR CB C 13 68.776 0.077 . 1 0.67 . . . 206 THR CB . 16695 1 732 . 1 1 160 160 THR N N 15 112.181 0.039 . 1 0.67 . . . 206 THR N . 16695 1 733 . 1 1 161 161 ASP H H 1 7.728 0.005 . 1 0.67 . . . 207 ASP H . 16695 1 734 . 1 1 161 161 ASP C C 13 177.052 0.029 . 1 0.67 . . . 207 ASP C . 16695 1 735 . 1 1 161 161 ASP CA C 13 55.648 0.013 . 1 0.67 . . . 207 ASP CA . 16695 1 736 . 1 1 161 161 ASP CB C 13 41.586 0.071 . 1 0.67 . . . 207 ASP CB . 16695 1 737 . 1 1 161 161 ASP N N 15 122.601 0.026 . 1 0.67 . . . 207 ASP N . 16695 1 738 . 1 1 162 162 ILE H H 1 7.935 0.005 . 1 0.67 . . . 208 ILE H . 16695 1 739 . 1 1 162 162 ILE C C 13 177.088 0.022 . 1 0.67 . . . 208 ILE C . 16695 1 740 . 1 1 162 162 ILE CA C 13 62.572 0.013 . 1 0.67 . . . 208 ILE CA . 16695 1 741 . 1 1 162 162 ILE CB C 13 37.406 0.070 . 1 0.67 . . . 208 ILE CB . 16695 1 742 . 1 1 162 162 ILE N N 15 118.454 0.029 . 1 0.67 . . . 208 ILE N . 16695 1 743 . 1 1 163 163 GLU H H 1 8.014 0.005 . 1 0.67 . . . 209 GLU H . 16695 1 744 . 1 1 163 163 GLU C C 13 176.982 0.015 . 1 0.67 . . . 209 GLU C . 16695 1 745 . 1 1 163 163 GLU CA C 13 56.683 0.013 . 1 0.67 . . . 209 GLU CA . 16695 1 746 . 1 1 163 163 GLU CB C 13 29.019 0.086 . 1 0.67 . . . 209 GLU CB . 16695 1 747 . 1 1 163 163 GLU N N 15 121.908 0.008 . 1 0.67 . . . 209 GLU N . 16695 1 748 . 1 1 164 164 THR H H 1 8.047 0.005 . 1 0.67 . . . 210 THR H . 16695 1 749 . 1 1 164 164 THR C C 13 174.521 0.014 . 1 0.67 . . . 210 THR C . 16695 1 750 . 1 1 164 164 THR CA C 13 61.977 0.029 . 1 0.67 . . . 210 THR CA . 16695 1 751 . 1 1 164 164 THR CB C 13 68.835 0.123 . 1 0.67 . . . 210 THR CB . 16695 1 752 . 1 1 164 164 THR N N 15 114.586 0.008 . 1 0.67 . . . 210 THR N . 16695 1 753 . 1 1 165 165 LYS H H 1 8.146 0.005 . 1 0.67 . . . 211 LYS H . 16695 1 754 . 1 1 165 165 LYS C C 13 175.621 0.014 . 1 0.67 . . . 211 LYS C . 16695 1 755 . 1 1 165 165 LYS CA C 13 55.777 0.013 . 1 0.67 . . . 211 LYS CA . 16695 1 756 . 1 1 165 165 LYS CB C 13 32.014 0.070 . 1 0.67 . . . 211 LYS CB . 16695 1 757 . 1 1 165 165 LYS N N 15 124.157 0.008 . 1 0.67 . . . 211 LYS N . 16695 1 758 . 1 1 166 166 GLU H H 1 7.971 0.005 . 1 0.67 . . . 212 GLU H . 16695 1 759 . 1 1 166 166 GLU C C 13 181.115 0.010 . 1 0.67 . . . 212 GLU C . 16695 1 760 . 1 1 166 166 GLU CA C 13 57.595 0.010 . 1 0.67 . . . 212 GLU CA . 16695 1 761 . 1 1 166 166 GLU CB C 13 30.031 0.010 . 1 0.67 . . . 212 GLU CB . 16695 1 762 . 1 1 166 166 GLU N N 15 126.848 0.024 . 1 0.67 . . . 212 GLU N . 16695 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 16695 _Assigned_chem_shift_list.ID 2 _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 'Proton and nitrogen chemical shifts have been corrected (46 Hz) to account for TROSY sequences used.' _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' . . . 16695 2 2 '3D HNCO' . . . 16695 2 3 '3D HN(CA)CO' . . . 16695 2 4 '3D HNCA' . . . 16695 2 5 '3D HN(CO)CA' . . . 16695 2 6 '3D HN(COCA)CB' . . . 16695 2 7 '3D HN(CA)CB' . . . 16695 2 8 '3D 1H-15N NOESY' . . . 16695 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 16695 2 2 $SPARKY . . 16695 2 3 $CARA . . 16695 2 4 $AutoLink . . 16695 2 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 1 158 158 ILE C C 13 175.889 0.022 . 1 0.33 . . . 204 ILE C . 16695 2 2 . 1 1 158 158 ILE CA C 13 60.428 0.021 . 1 0.33 . . . 204 ILE CA . 16695 2 3 . 1 1 158 158 ILE CB C 13 37.385 0.084 . 1 0.33 . . . 204 ILE CB . 16695 2 4 . 1 1 159 159 ALA H H 1 8.316 0.005 . 1 0.33 . . . 205 ALA H . 16695 2 5 . 1 1 159 159 ALA C C 13 177.610 0.010 . 1 0.33 . . . 205 ALA C . 16695 2 6 . 1 1 159 159 ALA CA C 13 52.030 0.010 . 1 0.33 . . . 205 ALA CA . 16695 2 7 . 1 1 159 159 ALA CB C 13 18.415 0.070 . 1 0.33 . . . 205 ALA CB . 16695 2 8 . 1 1 159 159 ALA N N 15 128.002 0.024 . 1 0.33 . . . 205 ALA N . 16695 2 9 . 1 1 160 160 THR H H 1 8.060 0.005 . 1 0.33 . . . 206 THR H . 16695 2 10 . 1 1 160 160 THR C C 13 174.227 0.010 . 1 0.33 . . . 206 THR C . 16695 2 11 . 1 1 160 160 THR CA C 13 61.342 0.013 . 1 0.33 . . . 206 THR CA . 16695 2 12 . 1 1 160 160 THR CB C 13 68.947 0.170 . 1 0.33 . . . 206 THR CB . 16695 2 13 . 1 1 160 160 THR N N 15 112.852 0.008 . 1 0.33 . . . 206 THR N . 16695 2 14 . 1 1 161 161 ASP H H 1 8.316 0.005 . 1 0.33 . . . 207 ASP H . 16695 2 15 . 1 1 161 161 ASP C C 13 176.010 0.011 . 1 0.33 . . . 207 ASP C . 16695 2 16 . 1 1 161 161 ASP CA C 13 53.886 0.019 . 1 0.33 . . . 207 ASP CA . 16695 2 17 . 1 1 161 161 ASP CB C 13 40.392 0.095 . 1 0.33 . . . 207 ASP CB . 16695 2 18 . 1 1 161 161 ASP N N 15 122.294 0.008 . 1 0.33 . . . 207 ASP N . 16695 2 19 . 1 1 162 162 ILE H H 1 7.981 0.005 . 1 0.33 . . . 208 ILE H . 16695 2 20 . 1 1 162 162 ILE C C 13 176.198 0.010 . 1 0.33 . . . 208 ILE C . 16695 2 21 . 1 1 162 162 ILE CA C 13 60.777 0.031 . 1 0.33 . . . 208 ILE CA . 16695 2 22 . 1 1 162 162 ILE CB C 13 37.582 0.090 . 1 0.33 . . . 208 ILE CB . 16695 2 23 . 1 1 162 162 ILE N N 15 120.109 0.008 . 1 0.33 . . . 208 ILE N . 16695 2 24 . 1 1 163 163 GLU H H 1 8.409 0.005 . 1 0.33 . . . 209 GLU H . 16695 2 25 . 1 1 163 163 GLU C C 13 176.488 0.036 . 1 0.33 . . . 209 GLU C . 16695 2 26 . 1 1 163 163 GLU CA C 13 56.042 0.010 . 1 0.33 . . . 209 GLU CA . 16695 2 27 . 1 1 163 163 GLU CB C 13 29.229 0.083 . 1 0.33 . . . 209 GLU CB . 16695 2 28 . 1 1 163 163 GLU N N 15 124.284 0.008 . 1 0.33 . . . 209 GLU N . 16695 2 29 . 1 1 164 164 THR H H 1 8.185 0.005 . 1 0.33 . . . 210 THR H . 16695 2 30 . 1 1 164 164 THR C C 13 174.224 0.045 . 1 0.33 . . . 210 THR C . 16695 2 31 . 1 1 164 164 THR CA C 13 61.407 0.013 . 1 0.33 . . . 210 THR CA . 16695 2 32 . 1 1 164 164 THR CB C 13 68.923 0.208 . 1 0.33 . . . 210 THR CB . 16695 2 33 . 1 1 164 164 THR N N 15 116.240 0.030 . 1 0.33 . . . 210 THR N . 16695 2 34 . 1 1 165 165 LYS H H 1 8.356 0.005 . 1 0.33 . . . 211 LYS H . 16695 2 35 . 1 1 165 165 LYS C C 13 175.538 0.028 . 1 0.33 . . . 211 LYS C . 16695 2 36 . 1 1 165 165 LYS CA C 13 55.704 0.014 . 1 0.33 . . . 211 LYS CA . 16695 2 37 . 1 1 165 165 LYS CB C 13 32.014 0.070 . 1 0.33 . . . 211 LYS CB . 16695 2 38 . 1 1 165 165 LYS N N 15 124.479 0.008 . 1 0.33 . . . 211 LYS N . 16695 2 39 . 1 1 166 166 GLU H H 1 8.021 0.005 . 1 0.33 . . . 212 GLU H . 16695 2 40 . 1 1 166 166 GLU C C 13 181.050 0.010 . 1 0.33 . . . 212 GLU C . 16695 2 41 . 1 1 166 166 GLU CA C 13 57.530 0.010 . 1 0.33 . . . 212 GLU CA . 16695 2 42 . 1 1 166 166 GLU CB C 13 30.031 0.010 . 1 0.33 . . . 212 GLU CB . 16695 2 43 . 1 1 166 166 GLU N N 15 127.174 0.008 . 1 0.33 . . . 212 GLU N . 16695 2 stop_ save_