data_18013 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18013 _Entry.Title ; Staphylococcal Nuclease PHS variant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-10-21 _Entry.Accession_date 2011-10-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Manolis Matzapetakis . . . 18013 2 Tiago Pais . M. . 18013 3 Pedro Lamosa . . . 18013 4 David Turner . L. . 18013 5 Helena Santos . . . 18013 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18013 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . ITQB . 18013 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PHS . 18013 'staphylococcal nuclease' . 18013 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18013 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 642 18013 '15N chemical shifts' 159 18013 '1H chemical shifts' 1046 18013 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 . . 2013-02-06 2011-10-21 update BMRB 'update entry citation' 18013 1 . . 2012-06-05 2011-10-21 original author 'original release' 18013 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LKV 'BMRB Entry Tracking System' 18013 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18013 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22619184 _Citation.Full_citation . _Citation.Title 'Mannosylglycerate stabilizes staphylococcal nuclease with restriction of slow -sheet motions.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 21 _Citation.Journal_issue 8 _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 1126 _Citation.Page_last 1137 _Citation.Year 2012 _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 Tiago Pais . M. . 18013 1 2 Pedro Lamosa . . . 18013 1 3 Manolis Matzapetakis . . . 18013 1 4 David Turner . L. . 18013 1 5 Helena Santos . . . 18013 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18013 _Assembly.ID 1 _Assembly.Name MS1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _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 'not present' _Assembly.Molecular_mass 16742.2689 _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 'SNase PHS' 1 $SNase_PHS A . yes native no no . . . 18013 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SNase_PHS _Entity.Sf_category entity _Entity.Sf_framecode SNase_PHS _Entity.Entry_ID 18013 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SNase_PHS _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ATSTKKLHKEPATLIKAIDG DTVKLMYKGQPMTFRLLLVD TPETKHPKKGVEKYGPEASA FTKKMVENAKKIEVEFDKGQ RTDKYGRGLAYIYADGKMVN EALVRQGLAKVAYVYKGNNT HEQLLRKAEAQAKKEKLNIW SEDNADSGQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 149 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation P117G/H124L/S128A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16742.2689 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16585 . SNase140 . . . . . 93.96 140 98.57 99.29 2.98e-94 . . . . 18013 1 2 no BMRB 1704 . "micrococcal nuclease" . . . . . 95.97 143 98.60 99.30 1.39e-96 . . . . 18013 1 3 no BMRB 17718 . Staphylococcal_nuclease . . . . . 100.00 149 98.66 99.33 1.52e-101 . . . . 18013 1 4 no BMRB 1874 . "micrococcal nuclease" . . . . . 95.97 143 98.60 99.30 1.39e-96 . . . . 18013 1 5 no BMRB 1875 . "micrococcal nuclease" . . . . . 95.97 143 98.60 99.30 1.39e-96 . . . . 18013 1 6 no BMRB 1876 . "micrococcal nuclease" . . . . . 95.97 143 98.60 99.30 1.39e-96 . . . . 18013 1 7 no BMRB 1877 . "micrococcal nuclease" . . . . . 95.97 143 98.60 99.30 1.39e-96 . . . . 18013 1 8 no BMRB 1878 . "micrococcal nuclease" . . . . . 95.97 143 98.60 99.30 1.39e-96 . . . . 18013 1 9 no BMRB 18788 . staph_nuc_E43S . . . . . 100.00 149 97.99 98.66 7.90e-101 . . . . 18013 1 10 no BMRB 4010 . SNOB . . . . . 69.13 103 98.06 99.03 3.22e-65 . . . . 18013 1 11 no BMRB 4052 . "staphylococcal nuclease" . . . . . 100.00 149 98.66 99.33 1.52e-101 . . . . 18013 1 12 no BMRB 4053 . "staphylococcal nuclease" . . . . . 100.00 149 98.66 99.33 1.52e-101 . . . . 18013 1 13 no PDB 1A2T . "Staphylococcal Nuclease, B-Mercaptoethanol Disulfide To V23c Variant" . . . . . 100.00 149 97.32 97.99 1.46e-99 . . . . 18013 1 14 no PDB 1A2U . "Staphylococcal Nuclease, V23c Variant, Complex With 1-N- Butane Thiol And 3',5'-Thymidine Diphosphate" . . . . . 100.00 149 97.32 97.99 1.46e-99 . . . . 18013 1 15 no PDB 1A3T . "Staphylococcal Nuclease, V23c Variant, Complex With 2- Fluoroethane Thiol And 3',5'-Thymidine Diphosphate" . . . . . 100.00 149 97.32 97.99 1.46e-99 . . . . 18013 1 16 no PDB 1A3U . "Staphylococcal Nuclease, Cyclohexane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 97.32 97.99 1.46e-99 . . . . 18013 1 17 no PDB 1A3V . "Staphylococcal Nuclease, Cyclopentane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 97.32 97.99 1.46e-99 . . . . 18013 1 18 no PDB 1AEX . "Staphylococcal Nuclease, Methane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 97.32 97.99 1.46e-99 . . . . 18013 1 19 no PDB 1ENA . "Crystal Structures Of The Binary Ca2+ And Pdtp Complexes And The Ternary Complex Of The Asp 21->glu Mutant Of Staphylococcal Nu" . . . . . 90.60 135 97.04 98.52 3.94e-89 . . . . 18013 1 20 no PDB 1ENC . "Crystal Structures Of The Binary Ca2+ And Pdtp Complexes And The Ternary Complex Of The Asp 21->glu Mutant Of Staphylococcal Nu" . . . . . 100.00 149 97.32 98.66 9.85e-100 . . . . 18013 1 21 no PDB 1EY0 . "Structure Of Wild-Type S. Nuclease At 1.6 A Resolution" . . . . . 100.00 149 97.99 98.66 2.57e-100 . . . . 18013 1 22 no PDB 1EY4 . "Structure Of S. Nuclease Stabilizing Mutant S59a" . . . . . 100.00 149 97.32 98.66 8.93e-100 . . . . 18013 1 23 no PDB 1EY5 . "Structure Of S. Nuclease Stabilizing Mutant T33v" . . . . . 100.00 149 97.32 97.99 1.21e-99 . . . . 18013 1 24 no PDB 1EY6 . "Structure Of S. Nuclease Stabilizing Mutant T41i" . . . . . 100.00 149 97.32 97.99 1.41e-99 . . . . 18013 1 25 no PDB 1EY7 . "Structure Of S. Nuclease Stabilizing Mutant S128a" . . . . . 100.00 149 98.66 98.66 1.05e-100 . . . . 18013 1 26 no PDB 1EY8 . "Structure Of S. Nuclease Stabilizing Triple Mutant P117gH124LS128A" . . . . . 100.00 149 100.00 100.00 3.03e-103 . . . . 18013 1 27 no PDB 1EY9 . "Structure Of S. Nuclease Stabilizing Quadruple Mutant T41iP117GH124LS128A" . . . . . 100.00 149 99.33 99.33 2.50e-102 . . . . 18013 1 28 no PDB 1EYA . "Structure Of S. Nuclease Stabilizing Quintuple Mutant T33vT41IP117GH124LS128A" . . . . . 100.00 149 98.66 98.66 1.15e-101 . . . . 18013 1 29 no PDB 1EYC . "Structure Of S. Nuclease Stabilizing Quintuple Mutant T41iS59AP117GH124LS128A" . . . . . 100.00 149 98.66 99.33 8.41e-102 . . . . 18013 1 30 no PDB 1EYD . "Structure Of Wild-Type S. Nuclease At 1.7 A Resolution" . . . . . 100.00 149 97.99 98.66 2.57e-100 . . . . 18013 1 31 no PDB 1EZ6 . "Structure Of S. Nuclease Stabilizing Sextuple Mutant T33vT41IS59AP117GH124LS128A" . . . . . 100.00 149 97.99 98.66 3.40e-101 . . . . 18013 1 32 no PDB 1EZ8 . "Structure Of S. Nuclease Stabilizing Mutant T33v" . . . . . 100.00 149 97.32 97.99 1.21e-99 . . . . 18013 1 33 no PDB 1JOK . "Averaged Structure For Staphylococcal Nuclease-H124l In Ternary Complex With Ca2+ And Thymidine-3',5'-Bisphosphate" . . . . . 100.00 149 98.66 99.33 1.52e-101 . . . . 18013 1 34 no PDB 1JOO . "Averaged Structure For Unligated Staphylococcal Nuclease- H124l" . . . . . 100.00 149 98.66 99.33 1.52e-101 . . . . 18013 1 35 no PDB 1JOQ . "Ensemble Structures For Staphylococcal Nuclease-H124l In Ternary Complex With Ca2+ And Thymidine-3',5'-Bisphosphate" . . . . . 100.00 149 98.66 99.33 1.52e-101 . . . . 18013 1 36 no PDB 1JOR . "Ensemble Structures For Unligated Staphylococcal Nuclease- H124l" . . . . . 100.00 149 98.66 99.33 1.52e-101 . . . . 18013 1 37 no PDB 1KAA . "Stress And Strain In Staphylococcal Nuclease" . . . . . 91.28 136 97.06 97.79 1.35e-89 . . . . 18013 1 38 no PDB 1KAB . "Stress And Strain In Staphylococcal Nuclease" . . . . . 91.28 136 97.06 97.79 2.63e-89 . . . . 18013 1 39 no PDB 1NUC . "Staphylococcal Nuclease, V23c Variant" . . . . . 100.00 149 97.32 97.99 6.94e-100 . . . . 18013 1 40 no PDB 1RKN . "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease With G88w Mutation" . . . . . 73.83 110 99.09 99.09 8.38e-71 . . . . 18013 1 41 no PDB 1SNC . "The Crystal Structure Of The Ternary Complex Of Staphylococcal Nuclease, Ca2+, And The Inhibitor PdTp, Refined At 1.65 Angstrom" . . . . . 100.00 149 97.99 98.66 2.57e-100 . . . . 18013 1 42 no PDB 1SNM . "Active Site Mutant Glu-43 (right Arrow) Asp In Staphylococcal Nuclease Displays Nonlocal Structural Changes" . . . . . 100.00 149 97.32 98.66 8.45e-100 . . . . 18013 1 43 no PDB 1SNO . "Protein Stability In Staphylococcal Nuclease" . . . . . 100.00 149 98.66 99.33 1.52e-101 . . . . 18013 1 44 no PDB 1SNP . "Protein Stability In Staphylococcal Nuclease" . . . . . 100.00 149 99.33 100.00 8.57e-103 . . . . 18013 1 45 no PDB 1SNQ . "Protein Stability In Staphylococcal Nuclease" . . . . . 100.00 149 98.66 99.33 1.95e-101 . . . . 18013 1 46 no PDB 1STB . "Accommodation Of Insertion Mutations On The Surface And In The Interior Of Staphylococcal Nuclease" . . . . . 100.67 150 97.33 98.00 1.55e-98 . . . . 18013 1 47 no PDB 1STG . "Two Distinctly Different Metal Binding Modes Are Seen In X- Ray Crystal Structures Of Staphylococcal Nuclease- Cobalt(Ii)-Nucle" . . . . . 100.00 149 97.99 98.66 2.57e-100 . . . . 18013 1 48 no PDB 1STH . "Two Distinctly Different Metal Binding Modes Are Seen In X- Ray Crystal Structures Of Staphylococcal Nuclease- Cobalt(Ii)-Nucle" . . . . . 100.00 149 97.99 98.66 2.57e-100 . . . . 18013 1 49 no PDB 1STN . "The Crystal Structure Of Staphylococcal Nuclease Refined At 1.7 Angstroms Resolution" . . . . . 100.00 149 97.99 98.66 2.57e-100 . . . . 18013 1 50 no PDB 1STY . "The Alpha Aneurism: A Structural Motif Revealed In An Insertion Mutant Of Staphylococcal Nuclease" . . . . . 100.67 150 97.33 98.00 1.60e-98 . . . . 18013 1 51 no PDB 1SYC . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 98.66 99.33 1.07e-101 . . . . 18013 1 52 no PDB 1SYD . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 98.66 99.33 1.07e-101 . . . . 18013 1 53 no PDB 1SYE . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 97.99 98.66 1.25e-100 . . . . 18013 1 54 no PDB 1SYF . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 97.99 98.66 1.25e-100 . . . . 18013 1 55 no PDB 1SYG . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 97.99 98.66 6.42e-101 . . . . 18013 1 56 no PDB 1U9R . "Crystal Structure Of Staphylococcal Nuclease Mutant V66eP117GH124LS128A AT ROOM TEMPERATURE" . . . . . 100.00 149 99.33 99.33 4.27e-102 . . . . 18013 1 57 no PDB 2ENB . "Crystal Structures Of The Binary Ca2+ And Pdtp Complexes And The Ternary Complex Of The Asp 21->glu Mutant Of Staphylococcal Nu" . . . . . 90.60 135 97.04 98.52 3.94e-89 . . . . 18013 1 58 no PDB 2EXZ . "Crystal Structure Of Staphylococcal Nuclease Mutant T22c" . . . . . 100.00 149 97.32 97.99 8.93e-100 . . . . 18013 1 59 no PDB 2EY1 . "Crystal Structure Of Staphylococcal Nuclease Mutant T22v" . . . . . 100.00 149 97.32 97.99 1.21e-99 . . . . 18013 1 60 no PDB 2EY2 . "Crystal Structure Of Staphylococcal Nuclease Mutant T41c" . . . . . 100.00 149 97.32 97.99 8.93e-100 . . . . 18013 1 61 no PDB 2EY5 . "Crystal Structure Of Staphylococcal Nuclease Mutant T41s" . . . . . 100.00 149 97.32 98.66 5.23e-100 . . . . 18013 1 62 no PDB 2EY6 . "Crystal Structure Of Staphylococcal Nuclease Mutant T41v" . . . . . 100.00 149 97.32 97.99 1.21e-99 . . . . 18013 1 63 no PDB 2EYF . "Crystal Structure Of Staphylococcal Nuclease Mutant T44v" . . . . . 100.00 149 97.32 97.99 1.21e-99 . . . . 18013 1 64 no PDB 2EYH . "Crystal Structure Of Staphylococcal Nuclease Mutant T62s" . . . . . 100.00 149 97.32 98.66 5.23e-100 . . . . 18013 1 65 no PDB 2EYJ . "Crystal Structure Of Staphylococcal Nuclease Mutant T62v" . . . . . 100.00 149 97.32 97.99 1.21e-99 . . . . 18013 1 66 no PDB 2EYL . "Crystal Structure Of Staphylococcal Nuclease Mutant T82s" . . . . . 100.00 149 97.32 98.66 5.23e-100 . . . . 18013 1 67 no PDB 2EYM . "Crystal Structure Of Staphylococcal Nuclease Mutant T120c" . . . . . 100.00 149 97.32 97.99 8.93e-100 . . . . 18013 1 68 no PDB 2EYO . "Crystal Structure Of Staphylococcal Nuclease Mutant T120s" . . . . . 100.00 149 97.32 98.66 5.23e-100 . . . . 18013 1 69 no PDB 2EYP . "Crystal Structure Of Staphylococcal Nuclease Mutant T120v" . . . . . 100.00 149 97.32 97.99 1.21e-99 . . . . 18013 1 70 no PDB 2F0D . "Crystal Structure Of Staphylococcal Nuclease Mutant I92v" . . . . . 100.00 149 97.32 98.66 3.77e-100 . . . . 18013 1 71 no PDB 2F0E . "Crystal Structure Of Staphylococcal Nuclease Mutant V23l" . . . . . 100.00 149 97.32 98.66 7.58e-100 . . . . 18013 1 72 no PDB 2F0F . "Crystal Structure Of Staphylococcal Nuclease Mutant L25i" . . . . . 100.00 149 97.32 98.66 4.84e-100 . . . . 18013 1 73 no PDB 2F0G . "Crystal Structure Of Staphylococcal Nuclease Mutant V66i" . . . . . 100.00 149 97.32 98.66 3.68e-100 . . . . 18013 1 74 no PDB 2F0H . "Crystal Structure Of Staphylococcal Nuclease Mutant V66l" . . . . . 100.00 149 97.32 98.66 7.58e-100 . . . . 18013 1 75 no PDB 2F0I . "Crystal Structure Of Staphylococcal Nuclease Mutant I72l" . . . . . 100.00 149 97.32 98.66 6.50e-100 . . . . 18013 1 76 no PDB 2F0J . "Crystal Structure Of Staphylococcal Nuclease Mutant I72v" . . . . . 100.00 149 97.32 98.66 3.77e-100 . . . . 18013 1 77 no PDB 2F3V . "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease With V66w Mutation" . . . . . 73.83 110 99.09 99.09 7.11e-71 . . . . 18013 1 78 no PDB 2F3W . "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease In 2m Tmao" . . . . . 73.83 110 100.00 100.00 3.47e-72 . . . . 18013 1 79 no PDB 2KHS . "Solution Structure Of Snase121:snase(111-143) Complex" . . . . . 81.21 121 99.17 99.17 3.67e-80 . . . . 18013 1 80 no PDB 2KQ3 . "Solution Structure Of Snase140" . . . . . 93.96 140 98.57 99.29 2.98e-94 . . . . 18013 1 81 no PDB 2LKV . "Staphylococcal Nuclease Phs Variant" . . . . . 100.00 149 100.00 100.00 3.03e-103 . . . . 18013 1 82 no PDB 2M00 . "Solution Structure Of Staphylococcal Nuclease E43s Mutant In The Presence Of Ssdna And Cd2+" . . . . . 100.00 149 97.99 98.66 7.90e-101 . . . . 18013 1 83 no PDB 2NUC . "Staphlococcal Nuclease, Ethane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 97.32 97.99 1.46e-99 . . . . 18013 1 84 no PDB 2OXP . "Crystal Structure Of Staphylococcal Nuclease Mutant V66dP117GH124LS128A" . . . . . 100.00 149 99.33 99.33 5.67e-102 . . . . 18013 1 85 no PDB 2PW5 . "Crystal Structure Of Staphylococcal Nuclease Variant V66yP117GH124LS128A AT ROOM TEMPERATURE" . . . . . 100.00 149 99.33 99.33 2.88e-102 . . . . 18013 1 86 no PDB 2PW7 . "Crystal Structure Of Staphylococcal Nuclease Variant V66yP117GH124LS128A AT 100K" . . . . . 100.00 149 99.33 99.33 2.88e-102 . . . . 18013 1 87 no PDB 2PYK . "Crystal Structure Of Staphylococcal Nuclease Variant V66qP117GH124LS128A AT ROOM TEMPERATURE" . . . . . 100.00 149 99.33 99.33 3.96e-102 . . . . 18013 1 88 no PDB 2PZT . "Crystal Structure Of Staphylococcal Nuclease Variant V66qP117GH124LS128A AT 100 K" . . . . . 100.00 149 99.33 99.33 3.96e-102 . . . . 18013 1 89 no PDB 2PZU . "Crystal Structure Of Staphylococcal Nuclease Variant V66nP117GH124LS128A AT CRYOGENIC TEMPERATURE" . . . . . 100.00 149 99.33 99.33 4.36e-102 . . . . 18013 1 90 no PDB 2PZW . "Crystal Structure Of Staphylococcal Nuclease Variant V66nP117GH124LS128A AT ROOM TEMPERATURE" . . . . . 100.00 149 99.33 99.33 4.36e-102 . . . . 18013 1 91 no PDB 2RKS . "Crystal Structure Of Staphylococcal Nuclease Variant Phs L38k At Cryogenic Temperature" . . . . . 100.00 149 99.33 99.33 4.66e-102 . . . . 18013 1 92 no PDB 2SNM . "In A Staphylococcal Nuclease Mutant The Side-chain Of A Lysine Replacing Valine 66 Is Fully Buried In The Hydrophobic Core" . . . . . 100.00 149 97.32 97.99 2.84e-99 . . . . 18013 1 93 no PDB 2SOB . "Sn-Ob, Ob-Fold Sub-Domain Of Staphylococcal Nuclease, Nmr, 10 Structures" . . . . . 69.13 103 98.06 99.03 3.22e-65 . . . . 18013 1 94 no PDB 3D6C . "Crystal Structure Of Staphylococcal Nuclease Variant Phs L38e At Cryogenic Temperature" . . . . . 100.00 149 99.33 99.33 4.61e-102 . . . . 18013 1 95 no PDB 3DMU . "Crystal Structure Of Staphylococcal Nuclease Variant Phs T62k At Cryogenic Temperature" . . . . . 100.00 149 99.33 99.33 3.25e-102 . . . . 18013 1 96 no PDB 3NUC . "Staphlococcal Nuclease, 1-N-Propane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 97.32 97.99 1.46e-99 . . . . 18013 1 97 no PDB 4WOR . "Staphylococcal Nuclease In Complex With Ca2+ And Thymidine-3'-5'- Diphosphate (pdtp) At Room Temperature" . . . . . 100.00 149 97.99 98.66 2.57e-100 . . . . 18013 1 98 no PDB 5NUC . "Staphylococcal Nuclease, 1-N-Pentane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 97.32 97.99 1.46e-99 . . . . 18013 1 99 no DBJ BAB41979 . "staphylococcal nuclease [Staphylococcus aureus subsp. aureus N315]" . . . . . 100.00 228 97.99 98.66 1.70e-101 . . . . 18013 1 100 no DBJ BAB56977 . "staphylococcal nuclease [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 100.00 228 97.99 98.66 1.70e-101 . . . . 18013 1 101 no DBJ BAB94634 . "staphylococcal nuclease [Staphylococcus aureus subsp. aureus MW2]" . . . . . 100.00 228 98.66 99.33 4.58e-102 . . . . 18013 1 102 no DBJ BAF67032 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus str. Newman]" . . . . . 100.00 228 98.66 99.33 4.68e-102 . . . . 18013 1 103 no DBJ BAF77694 . "staphylococcal nuclease [Staphylococcus aureus subsp. aureus Mu3]" . . . . . 100.00 228 97.99 98.66 1.70e-101 . . . . 18013 1 104 no EMBL CAA24594 . "nuclease [Staphylococcus aureus]" . . . . . 100.00 231 97.99 98.66 7.26e-101 . . . . 18013 1 105 no EMBL CAG39855 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus MRSA252]" . . . . . 100.00 228 98.66 99.33 4.43e-102 . . . . 18013 1 106 no EMBL CAG42530 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus MSSA476]" . . . . . 100.00 228 98.66 99.33 4.58e-102 . . . . 18013 1 107 no EMBL CAI80436 . "staphylococcal thermonuclease precursor [Staphylococcus aureus RF122]" . . . . . 100.00 228 97.99 99.33 2.04e-101 . . . . 18013 1 108 no EMBL CAQ49298 . "thermonuclease (TNase) (Micrococcal nuclease)(Staphylococcal nuclease) [Staphylococcus aureus subsp. aureus ST398]" . . . . . 100.00 228 98.66 99.33 3.68e-102 . . . . 18013 1 109 no GB AAC14660 . "deltaSP-Nuc [Cloning vector pFUN]" . . . . . 100.00 155 97.99 98.66 2.53e-100 . . . . 18013 1 110 no GB AAW36415 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus COL]" . . . . . 100.00 228 98.66 99.33 4.68e-102 . . . . 18013 1 111 no GB ABD22328 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus USA300_FPR3757]" . . . . . 100.00 228 98.66 99.33 4.68e-102 . . . . 18013 1 112 no GB ABD29945 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus NCTC 8325]" . . . . . 100.00 228 98.66 99.33 4.68e-102 . . . . 18013 1 113 no GB ABE02272 . "nuclease [Staphylococcus aureus]" . . . . . 97.32 227 97.93 98.62 5.55e-98 . . . . 18013 1 114 no PRF 1109959A . nuclease,staphylococcal . . . . . 100.00 242 97.99 98.66 9.10e-101 . . . . 18013 1 115 no PRF 710414A . nuclease . . . . . 100.00 149 97.99 98.66 2.57e-100 . . . . 18013 1 116 no REF WP_000141556 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 228 98.66 99.33 6.02e-102 . . . . 18013 1 117 no REF WP_000141557 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 228 97.99 98.66 1.70e-101 . . . . 18013 1 118 no REF WP_001548082 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 228 98.66 99.33 4.68e-102 . . . . 18013 1 119 no REF WP_001566557 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 228 98.66 99.33 4.95e-102 . . . . 18013 1 120 no REF WP_001574556 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 228 98.66 99.33 3.68e-102 . . . . 18013 1 121 no SP P00644 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Contains:" . . . . . 100.00 231 97.99 98.66 7.26e-101 . . . . 18013 1 122 no SP Q5HHM4 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" . . . . . 100.00 228 98.66 99.33 4.68e-102 . . . . 18013 1 123 no SP Q6GB41 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" . . . . . 100.00 228 98.66 99.33 4.58e-102 . . . . 18013 1 124 no SP Q6GIK1 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" . . . . . 100.00 228 98.66 99.33 4.43e-102 . . . . 18013 1 125 no SP Q7A6P2 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" . . . . . 100.00 228 97.99 98.66 1.70e-101 . . . . 18013 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 . ALA . 18013 1 2 . THR . 18013 1 3 . SER . 18013 1 4 . THR . 18013 1 5 . LYS . 18013 1 6 . LYS . 18013 1 7 . LEU . 18013 1 8 . HIS . 18013 1 9 . LYS . 18013 1 10 . GLU . 18013 1 11 . PRO . 18013 1 12 . ALA . 18013 1 13 . THR . 18013 1 14 . LEU . 18013 1 15 . ILE . 18013 1 16 . LYS . 18013 1 17 . ALA . 18013 1 18 . ILE . 18013 1 19 . ASP . 18013 1 20 . GLY . 18013 1 21 . ASP . 18013 1 22 . THR . 18013 1 23 . VAL . 18013 1 24 . LYS . 18013 1 25 . LEU . 18013 1 26 . MET . 18013 1 27 . TYR . 18013 1 28 . LYS . 18013 1 29 . GLY . 18013 1 30 . GLN . 18013 1 31 . PRO . 18013 1 32 . MET . 18013 1 33 . THR . 18013 1 34 . PHE . 18013 1 35 . ARG . 18013 1 36 . LEU . 18013 1 37 . LEU . 18013 1 38 . LEU . 18013 1 39 . VAL . 18013 1 40 . ASP . 18013 1 41 . THR . 18013 1 42 . PRO . 18013 1 43 . GLU . 18013 1 44 . THR . 18013 1 45 . LYS . 18013 1 46 . HIS . 18013 1 47 . PRO . 18013 1 48 . LYS . 18013 1 49 . LYS . 18013 1 50 . GLY . 18013 1 51 . VAL . 18013 1 52 . GLU . 18013 1 53 . LYS . 18013 1 54 . TYR . 18013 1 55 . GLY . 18013 1 56 . PRO . 18013 1 57 . GLU . 18013 1 58 . ALA . 18013 1 59 . SER . 18013 1 60 . ALA . 18013 1 61 . PHE . 18013 1 62 . THR . 18013 1 63 . LYS . 18013 1 64 . LYS . 18013 1 65 . MET . 18013 1 66 . VAL . 18013 1 67 . GLU . 18013 1 68 . ASN . 18013 1 69 . ALA . 18013 1 70 . LYS . 18013 1 71 . LYS . 18013 1 72 . ILE . 18013 1 73 . GLU . 18013 1 74 . VAL . 18013 1 75 . GLU . 18013 1 76 . PHE . 18013 1 77 . ASP . 18013 1 78 . LYS . 18013 1 79 . GLY . 18013 1 80 . GLN . 18013 1 81 . ARG . 18013 1 82 . THR . 18013 1 83 . ASP . 18013 1 84 . LYS . 18013 1 85 . TYR . 18013 1 86 . GLY . 18013 1 87 . ARG . 18013 1 88 . GLY . 18013 1 89 . LEU . 18013 1 90 . ALA . 18013 1 91 . TYR . 18013 1 92 . ILE . 18013 1 93 . TYR . 18013 1 94 . ALA . 18013 1 95 . ASP . 18013 1 96 . GLY . 18013 1 97 . LYS . 18013 1 98 . MET . 18013 1 99 . VAL . 18013 1 100 . ASN . 18013 1 101 . GLU . 18013 1 102 . ALA . 18013 1 103 . LEU . 18013 1 104 . VAL . 18013 1 105 . ARG . 18013 1 106 . GLN . 18013 1 107 . GLY . 18013 1 108 . LEU . 18013 1 109 . ALA . 18013 1 110 . LYS . 18013 1 111 . VAL . 18013 1 112 . ALA . 18013 1 113 . TYR . 18013 1 114 . VAL . 18013 1 115 . TYR . 18013 1 116 . LYS . 18013 1 117 . GLY . 18013 1 118 . ASN . 18013 1 119 . ASN . 18013 1 120 . THR . 18013 1 121 . HIS . 18013 1 122 . GLU . 18013 1 123 . GLN . 18013 1 124 . LEU . 18013 1 125 . LEU . 18013 1 126 . ARG . 18013 1 127 . LYS . 18013 1 128 . ALA . 18013 1 129 . GLU . 18013 1 130 . ALA . 18013 1 131 . GLN . 18013 1 132 . ALA . 18013 1 133 . LYS . 18013 1 134 . LYS . 18013 1 135 . GLU . 18013 1 136 . LYS . 18013 1 137 . LEU . 18013 1 138 . ASN . 18013 1 139 . ILE . 18013 1 140 . TRP . 18013 1 141 . SER . 18013 1 142 . GLU . 18013 1 143 . ASP . 18013 1 144 . ASN . 18013 1 145 . ALA . 18013 1 146 . ASP . 18013 1 147 . SER . 18013 1 148 . GLY . 18013 1 149 . GLN . 18013 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 . ALA 1 1 18013 1 . THR 2 2 18013 1 . SER 3 3 18013 1 . THR 4 4 18013 1 . LYS 5 5 18013 1 . LYS 6 6 18013 1 . LEU 7 7 18013 1 . HIS 8 8 18013 1 . LYS 9 9 18013 1 . GLU 10 10 18013 1 . PRO 11 11 18013 1 . ALA 12 12 18013 1 . THR 13 13 18013 1 . LEU 14 14 18013 1 . ILE 15 15 18013 1 . LYS 16 16 18013 1 . ALA 17 17 18013 1 . ILE 18 18 18013 1 . ASP 19 19 18013 1 . GLY 20 20 18013 1 . ASP 21 21 18013 1 . THR 22 22 18013 1 . VAL 23 23 18013 1 . LYS 24 24 18013 1 . LEU 25 25 18013 1 . MET 26 26 18013 1 . TYR 27 27 18013 1 . LYS 28 28 18013 1 . GLY 29 29 18013 1 . GLN 30 30 18013 1 . PRO 31 31 18013 1 . MET 32 32 18013 1 . THR 33 33 18013 1 . PHE 34 34 18013 1 . ARG 35 35 18013 1 . LEU 36 36 18013 1 . LEU 37 37 18013 1 . LEU 38 38 18013 1 . VAL 39 39 18013 1 . ASP 40 40 18013 1 . THR 41 41 18013 1 . PRO 42 42 18013 1 . GLU 43 43 18013 1 . THR 44 44 18013 1 . LYS 45 45 18013 1 . HIS 46 46 18013 1 . PRO 47 47 18013 1 . LYS 48 48 18013 1 . LYS 49 49 18013 1 . GLY 50 50 18013 1 . VAL 51 51 18013 1 . GLU 52 52 18013 1 . LYS 53 53 18013 1 . TYR 54 54 18013 1 . GLY 55 55 18013 1 . PRO 56 56 18013 1 . GLU 57 57 18013 1 . ALA 58 58 18013 1 . SER 59 59 18013 1 . ALA 60 60 18013 1 . PHE 61 61 18013 1 . THR 62 62 18013 1 . LYS 63 63 18013 1 . LYS 64 64 18013 1 . MET 65 65 18013 1 . VAL 66 66 18013 1 . GLU 67 67 18013 1 . ASN 68 68 18013 1 . ALA 69 69 18013 1 . LYS 70 70 18013 1 . LYS 71 71 18013 1 . ILE 72 72 18013 1 . GLU 73 73 18013 1 . VAL 74 74 18013 1 . GLU 75 75 18013 1 . PHE 76 76 18013 1 . ASP 77 77 18013 1 . LYS 78 78 18013 1 . GLY 79 79 18013 1 . GLN 80 80 18013 1 . ARG 81 81 18013 1 . THR 82 82 18013 1 . ASP 83 83 18013 1 . LYS 84 84 18013 1 . TYR 85 85 18013 1 . GLY 86 86 18013 1 . ARG 87 87 18013 1 . GLY 88 88 18013 1 . LEU 89 89 18013 1 . ALA 90 90 18013 1 . TYR 91 91 18013 1 . ILE 92 92 18013 1 . TYR 93 93 18013 1 . ALA 94 94 18013 1 . ASP 95 95 18013 1 . GLY 96 96 18013 1 . LYS 97 97 18013 1 . MET 98 98 18013 1 . VAL 99 99 18013 1 . ASN 100 100 18013 1 . GLU 101 101 18013 1 . ALA 102 102 18013 1 . LEU 103 103 18013 1 . VAL 104 104 18013 1 . ARG 105 105 18013 1 . GLN 106 106 18013 1 . GLY 107 107 18013 1 . LEU 108 108 18013 1 . ALA 109 109 18013 1 . LYS 110 110 18013 1 . VAL 111 111 18013 1 . ALA 112 112 18013 1 . TYR 113 113 18013 1 . VAL 114 114 18013 1 . TYR 115 115 18013 1 . LYS 116 116 18013 1 . GLY 117 117 18013 1 . ASN 118 118 18013 1 . ASN 119 119 18013 1 . THR 120 120 18013 1 . HIS 121 121 18013 1 . GLU 122 122 18013 1 . GLN 123 123 18013 1 . LEU 124 124 18013 1 . LEU 125 125 18013 1 . ARG 126 126 18013 1 . LYS 127 127 18013 1 . ALA 128 128 18013 1 . GLU 129 129 18013 1 . ALA 130 130 18013 1 . GLN 131 131 18013 1 . ALA 132 132 18013 1 . LYS 133 133 18013 1 . LYS 134 134 18013 1 . GLU 135 135 18013 1 . LYS 136 136 18013 1 . LEU 137 137 18013 1 . ASN 138 138 18013 1 . ILE 139 139 18013 1 . TRP 140 140 18013 1 . SER 141 141 18013 1 . GLU 142 142 18013 1 . ASP 143 143 18013 1 . ASN 144 144 18013 1 . ALA 145 145 18013 1 . ASP 146 146 18013 1 . SER 147 147 18013 1 . GLY 148 148 18013 1 . GLN 149 149 18013 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 18013 _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 $SNase_PHS . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . . . . . . . . . 18013 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 18013 _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 $SNase_PHS . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli B . . . . . BL21 . . . . . . . . . pEt . . . . . . 18013 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C15N _Sample.Sf_category sample _Sample.Sf_framecode 13C15N _Sample.Entry_ID 18013 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SNase PHS' '[U-13C; U-15N]' . . 1 $SNase_PHS . . 1.0 . . mM . . . . 18013 1 stop_ save_ ####################### # Sample conditions # ####################### save_310K _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 310K _Sample_condition_list.Entry_ID 18013 _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' 0.060 . M 18013 1 pH 5.500 . pH 18013 1 pressure 1.000 . atm 18013 1 temperature 310.000 . K 18013 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18013 _Software.ID 1 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18013 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Assignment 18013 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18013 _Software.ID 2 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18013 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Explicit water refinement' 18013 2 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 18013 _Software.ID 3 _Software.Name ANALYSIS _Software.Version 2.1 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 18013 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18013 3 'NOESY assignment' 18013 3 stop_ save_ save_CcpNmr_Entry_Completion_Interface _Software.Sf_category software _Software.Sf_framecode CcpNmr_Entry_Completion_Interface _Software.Entry_ID 18013 _Software.ID 4 _Software.Name CcpNmr_Entry_Completion_Interface _Software.Version 2.1 _Software.Details 'The PDBe & CCPN Entry Completion Interface' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'PDBe & CCPN' . http://www.ebi.ac.uk/pdbe/ 18013 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data deposition' 18013 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18013 _Software.ID 5 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . http://www.bruker-biospin.com/ 18013 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data collection and processing' 18013 5 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 18013 _Software.ID 6 _Software.Name UNIO _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 18013 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure determination' 18013 6 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18013 _Software.ID 7 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18013 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18013 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance_III_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance_III_800 _NMR_spectrometer.Entry_ID 18013 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Bruker Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 18013 _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 Bruker_Avance_III_800 Bruker 'Bruker Avance III' . 800 . . . 18013 1 stop_ save_ save_QXI _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode QXI _NMR_spectrometer_probe.Entry_ID 18013 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Bruker _NMR_spectrometer_probe.Model 'PAQXI 1H Z-GRD' _NMR_spectrometer_probe.Serial_number Z107267/0001 _NMR_spectrometer_probe.Diameter 0.5 _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 18013 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 18013 _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-13C HSQC/HMQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $13C15N isotropic . . 1 $310K . . . 1 $Bruker_Avance_III_800 1 $QXI . . . . . . . . . . . . . . 18013 1 2 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $13C15N isotropic . . 1 $310K . . . 1 $Bruker_Avance_III_800 1 $QXI . . . . . . . . . . . . . . 18013 1 3 '2D 1H-15N HSQC/HMQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $13C15N isotropic . . 1 $310K . . . 1 $Bruker_Avance_III_800 1 $QXI . . . . . . . . . . . . . . 18013 1 4 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $13C15N isotropic . . 1 $310K . . . 1 $Bruker_Avance_III_800 1 $QXI . . . . . . . . . . . . . . 18013 1 5 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $13C15N isotropic . . 1 $310K . . . 1 $Bruker_Avance_III_800 1 $QXI . . . . . . . . . . . . . . 18013 1 6 'CBcgcgHD (hbCBcgcdHD)' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $13C15N isotropic . . 1 $310K . . . 1 $Bruker_Avance_III_800 1 $QXI . . . . . . . . . . . . . . 18013 1 7 'hCCH TOCSY (hC_CH.TOCSY)' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $13C15N isotropic . . 1 $310K . . . 1 $Bruker_Avance_III_800 1 $QXI . . . . . . . . . . . . . . 18013 1 8 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $13C15N isotropic . . 1 $310K . . . 1 $Bruker_Avance_III_800 1 $QXI . . . . . . . . . . . . . . 18013 1 9 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $13C15N isotropic . . 1 $310K . . . 1 $Bruker_Avance_III_800 1 $QXI . . . . . . . . . . . . . . 18013 1 10 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $13C15N isotropic . . 1 $310K . . . 1 $Bruker_Avance_III_800 1 $QXI . . . . . . . . . . . . . . 18013 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18013 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $Bruker_Avance_III_800 _NMR_spec_expt.NMR_spectrometer_probe_ID 1 _NMR_spec_expt.NMR_spectrometer_probe_label $QXI _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 18013 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18013 1 H 1 HDO solvent . . . . ppm 4.705 internal direct 1.0 . . . . . . . . . 18013 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18013 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 18013 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 18013 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $310K _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC/HMQC' 1 $13C15N isotropic 18013 1 2 '3D 1H-13C NOESY' 1 $13C15N isotropic 18013 1 3 '2D 1H-15N HSQC/HMQC' 1 $13C15N isotropic 18013 1 4 '3D 1H-15N NOESY' 1 $13C15N isotropic 18013 1 5 '3D CBCA(CO)NH' 1 $13C15N isotropic 18013 1 6 'CBcgcgHD (hbCBcgcdHD)' 1 $13C15N isotropic 18013 1 7 'hCCH TOCSY (hC_CH.TOCSY)' 1 $13C15N isotropic 18013 1 8 '3D HNCACB' 1 $13C15N isotropic 18013 1 9 '3D HBHA(CO)NH' 1 $13C15N isotropic 18013 1 10 '2D 1H-1H NOESY' 1 $13C15N isotropic 18013 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 2 2 THR HA H 1 4.482 0.02 . 1 . 5 . A 2 THR HA . 18013 1 2 . 1 1 2 2 THR HB H 1 4.288 0.02 . 1 . 6 . A 2 THR HB . 18013 1 3 . 1 1 2 2 THR HG21 H 1 1.296 0.02 . 1 . 7 . A 2 THR HG21 . 18013 1 4 . 1 1 2 2 THR HG22 H 1 1.296 0.02 . 1 . 7 . A 2 THR HG22 . 18013 1 5 . 1 1 2 2 THR HG23 H 1 1.296 0.02 . 1 . 7 . A 2 THR HG23 . 18013 1 6 . 1 1 2 2 THR C C 13 174.407 0.30 . 1 . 1 . A 2 THR C . 18013 1 7 . 1 1 2 2 THR CA C 13 62.030 0.30 . 1 . 2 . A 2 THR CA . 18013 1 8 . 1 1 2 2 THR CB C 13 69.882 0.30 . 1 . 3 . A 2 THR CB . 18013 1 9 . 1 1 2 2 THR CG2 C 13 21.156 0.30 . 1 . 4 . A 2 THR CG2 . 18013 1 10 . 1 1 3 3 SER H H 1 8.500 0.02 . 1 . 11 . A 3 SER H . 18013 1 11 . 1 1 3 3 SER HA H 1 4.640 0.02 . 1 . 12 . A 3 SER HA . 18013 1 12 . 1 1 3 3 SER HB2 H 1 3.992 0.02 . 2 . 13 . A 3 SER HB2 . 18013 1 13 . 1 1 3 3 SER HB3 H 1 3.937 0.02 . 2 . 14 . A 3 SER HB3 . 18013 1 14 . 1 1 3 3 SER C C 13 174.835 0.30 . 1 . 8 . A 3 SER C . 18013 1 15 . 1 1 3 3 SER CA C 13 58.043 0.30 . 1 . 9 . A 3 SER CA . 18013 1 16 . 1 1 3 3 SER CB C 13 63.970 0.30 . 1 . 10 . A 3 SER CB . 18013 1 17 . 1 1 3 3 SER N N 15 118.622 0.30 . 1 . 15 . A 3 SER N . 18013 1 18 . 1 1 4 4 THR H H 1 8.289 0.02 . 1 . 20 . A 4 THR H . 18013 1 19 . 1 1 4 4 THR HA H 1 4.423 0.02 . 1 . 21 . A 4 THR HA . 18013 1 20 . 1 1 4 4 THR HB H 1 4.301 0.02 . 1 . 22 . A 4 THR HB . 18013 1 21 . 1 1 4 4 THR HG21 H 1 1.292 0.02 . 1 . 23 . A 4 THR HG21 . 18013 1 22 . 1 1 4 4 THR HG22 H 1 1.292 0.02 . 1 . 23 . A 4 THR HG22 . 18013 1 23 . 1 1 4 4 THR HG23 H 1 1.292 0.02 . 1 . 23 . A 4 THR HG23 . 18013 1 24 . 1 1 4 4 THR C C 13 174.484 0.30 . 1 . 16 . A 4 THR C . 18013 1 25 . 1 1 4 4 THR CA C 13 61.829 0.30 . 1 . 17 . A 4 THR CA . 18013 1 26 . 1 1 4 4 THR CB C 13 69.667 0.30 . 1 . 18 . A 4 THR CB . 18013 1 27 . 1 1 4 4 THR CG2 C 13 21.627 0.30 . 1 . 19 . A 4 THR CG2 . 18013 1 28 . 1 1 4 4 THR N N 15 116.700 0.30 . 1 . 24 . A 4 THR N . 18013 1 29 . 1 1 5 5 LYS H H 1 8.328 0.02 . 1 . 30 . A 5 LYS H . 18013 1 30 . 1 1 5 5 LYS HA H 1 4.417 0.02 . 1 . 31 . A 5 LYS HA . 18013 1 31 . 1 1 5 5 LYS HB2 H 1 1.907 0.02 . 2 . 32 . A 5 LYS HB2 . 18013 1 32 . 1 1 5 5 LYS HB3 H 1 1.820 0.02 . 2 . 33 . A 5 LYS HB3 . 18013 1 33 . 1 1 5 5 LYS HG2 H 1 1.499 0.02 . 2 . 35 . A 5 LYS HG2 . 18013 1 34 . 1 1 5 5 LYS HG3 H 1 1.536 0.02 . 2 . 34 . A 5 LYS HG3 . 18013 1 35 . 1 1 5 5 LYS HD2 H 1 1.752 0.02 . 1 . 36 . A 5 LYS HD2 . 18013 1 36 . 1 1 5 5 LYS HD3 H 1 1.752 0.02 . 1 . 1590 . A 5 LYS HD3 . 18013 1 37 . 1 1 5 5 LYS HE2 H 1 3.018 0.02 . 2 . 38 . A 5 LYS HE2 . 18013 1 38 . 1 1 5 5 LYS HE3 H 1 3.084 0.02 . 2 . 37 . A 5 LYS HE3 . 18013 1 39 . 1 1 5 5 LYS CA C 13 56.301 0.30 . 1 . 25 . A 5 LYS CA . 18013 1 40 . 1 1 5 5 LYS CB C 13 33.006 0.30 . 1 . 26 . A 5 LYS CB . 18013 1 41 . 1 1 5 5 LYS CG C 13 24.750 0.30 . 1 . 27 . A 5 LYS CG . 18013 1 42 . 1 1 5 5 LYS CD C 13 29.049 0.30 . 1 . 28 . A 5 LYS CD . 18013 1 43 . 1 1 5 5 LYS CE C 13 42.188 0.30 . 1 . 29 . A 5 LYS CE . 18013 1 44 . 1 1 5 5 LYS N N 15 123.916 0.30 . 1 . 39 . A 5 LYS N . 18013 1 45 . 1 1 6 6 LYS HA H 1 4.411 0.02 . 1 . 46 . A 6 LYS HA . 18013 1 46 . 1 1 6 6 LYS HB2 H 1 1.893 0.02 . 2 . 47 . A 6 LYS HB2 . 18013 1 47 . 1 1 6 6 LYS HB3 H 1 1.800 0.02 . 2 . 48 . A 6 LYS HB3 . 18013 1 48 . 1 1 6 6 LYS HG2 H 1 1.677 0.02 . 1 . 49 . A 6 LYS HG2 . 18013 1 49 . 1 1 6 6 LYS HG3 H 1 1.677 0.02 . 1 . 1591 . A 6 LYS HG3 . 18013 1 50 . 1 1 6 6 LYS C C 13 176.372 0.30 . 1 . 40 . A 6 LYS C . 18013 1 51 . 1 1 6 6 LYS CA C 13 56.009 0.30 . 1 . 41 . A 6 LYS CA . 18013 1 52 . 1 1 6 6 LYS CB C 13 33.465 0.30 . 1 . 42 . A 6 LYS CB . 18013 1 53 . 1 1 6 6 LYS CG C 13 27.087 0.30 . 1 . 43 . A 6 LYS CG . 18013 1 54 . 1 1 6 6 LYS CD C 13 30.775 0.30 . 1 . 44 . A 6 LYS CD . 18013 1 55 . 1 1 6 6 LYS CE C 13 42.212 0.30 . 1 . 45 . A 6 LYS CE . 18013 1 56 . 1 1 7 7 LEU H H 1 8.361 0.02 . 1 . 56 . A 7 LEU H . 18013 1 57 . 1 1 7 7 LEU HA H 1 4.590 0.02 . 1 . 57 . A 7 LEU HA . 18013 1 58 . 1 1 7 7 LEU HB2 H 1 1.820 0.02 . 2 . 58 . A 7 LEU HB2 . 18013 1 59 . 1 1 7 7 LEU HB3 H 1 1.744 0.02 . 2 . 59 . A 7 LEU HB3 . 18013 1 60 . 1 1 7 7 LEU HG H 1 1.846 0.02 . 1 . 60 . A 7 LEU HG . 18013 1 61 . 1 1 7 7 LEU HD11 H 1 0.962 0.02 . 2 . 61 . A 7 LEU HD11 . 18013 1 62 . 1 1 7 7 LEU HD12 H 1 0.962 0.02 . 2 . 61 . A 7 LEU HD12 . 18013 1 63 . 1 1 7 7 LEU HD13 H 1 0.962 0.02 . 2 . 61 . A 7 LEU HD13 . 18013 1 64 . 1 1 7 7 LEU HD21 H 1 1.033 0.02 . 2 . 62 . A 7 LEU HD21 . 18013 1 65 . 1 1 7 7 LEU HD22 H 1 1.033 0.02 . 2 . 62 . A 7 LEU HD22 . 18013 1 66 . 1 1 7 7 LEU HD23 H 1 1.033 0.02 . 2 . 62 . A 7 LEU HD23 . 18013 1 67 . 1 1 7 7 LEU C C 13 176.841 0.30 . 1 . 50 . A 7 LEU C . 18013 1 68 . 1 1 7 7 LEU CA C 13 54.618 0.30 . 1 . 51 . A 7 LEU CA . 18013 1 69 . 1 1 7 7 LEU CB C 13 41.585 0.30 . 1 . 52 . A 7 LEU CB . 18013 1 70 . 1 1 7 7 LEU CG C 13 27.551 0.30 . 1 . 53 . A 7 LEU CG . 18013 1 71 . 1 1 7 7 LEU CD1 C 13 24.902 0.30 . 2 . 54 . A 7 LEU CD1 . 18013 1 72 . 1 1 7 7 LEU CD2 C 13 21.775 0.30 . 2 . 55 . A 7 LEU CD2 . 18013 1 73 . 1 1 7 7 LEU N N 15 122.350 0.30 . 1 . 63 . A 7 LEU N . 18013 1 74 . 1 1 8 8 HIS H H 1 8.898 0.02 . 1 . 68 . A 8 HIS H . 18013 1 75 . 1 1 8 8 HIS HA H 1 5.049 0.02 . 1 . 69 . A 8 HIS HA . 18013 1 76 . 1 1 8 8 HIS HB2 H 1 3.280 0.02 . 2 . 71 . A 8 HIS HB2 . 18013 1 77 . 1 1 8 8 HIS HB3 H 1 3.367 0.02 . 2 . 70 . A 8 HIS HB3 . 18013 1 78 . 1 1 8 8 HIS HD2 H 1 7.362 0.02 . 1 . 72 . A 8 HIS HD2 . 18013 1 79 . 1 1 8 8 HIS C C 13 173.507 0.30 . 1 . 64 . A 8 HIS C . 18013 1 80 . 1 1 8 8 HIS CA C 13 54.914 0.30 . 1 . 65 . A 8 HIS CA . 18013 1 81 . 1 1 8 8 HIS CB C 13 31.022 0.30 . 1 . 66 . A 8 HIS CB . 18013 1 82 . 1 1 8 8 HIS CD2 C 13 120.306 0.30 . 1 . 67 . A 8 HIS CD2 . 18013 1 83 . 1 1 8 8 HIS N N 15 118.230 0.30 . 1 . 73 . A 8 HIS N . 18013 1 84 . 1 1 8 8 HIS ND1 N 15 179.986 0.30 . 1 . 74 . A 8 HIS ND1 . 18013 1 85 . 1 1 8 8 HIS NE2 N 15 174.486 0.30 . 1 . 75 . A 8 HIS NE2 . 18013 1 86 . 1 1 9 9 LYS H H 1 8.525 0.02 . 1 . 82 . A 9 LYS H . 18013 1 87 . 1 1 9 9 LYS HA H 1 4.833 0.02 . 1 . 83 . A 9 LYS HA . 18013 1 88 . 1 1 9 9 LYS HB2 H 1 1.574 0.02 . 2 . 84 . A 9 LYS HB2 . 18013 1 89 . 1 1 9 9 LYS HB3 H 1 1.471 0.02 . 2 . 85 . A 9 LYS HB3 . 18013 1 90 . 1 1 9 9 LYS HG2 H 1 0.838 0.02 . 2 . 87 . A 9 LYS HG2 . 18013 1 91 . 1 1 9 9 LYS HG3 H 1 1.352 0.02 . 2 . 86 . A 9 LYS HG3 . 18013 1 92 . 1 1 9 9 LYS HD2 H 1 0.886 0.02 . 2 . 89 . A 9 LYS HD2 . 18013 1 93 . 1 1 9 9 LYS HD3 H 1 1.060 0.02 . 2 . 88 . A 9 LYS HD3 . 18013 1 94 . 1 1 9 9 LYS HE2 H 1 1.818 0.02 . 2 . 91 . A 9 LYS HE2 . 18013 1 95 . 1 1 9 9 LYS HE3 H 1 1.985 0.02 . 2 . 90 . A 9 LYS HE3 . 18013 1 96 . 1 1 9 9 LYS C C 13 176.474 0.30 . 1 . 76 . A 9 LYS C . 18013 1 97 . 1 1 9 9 LYS CA C 13 56.061 0.30 . 1 . 77 . A 9 LYS CA . 18013 1 98 . 1 1 9 9 LYS CB C 13 34.632 0.30 . 1 . 78 . A 9 LYS CB . 18013 1 99 . 1 1 9 9 LYS CG C 13 25.656 0.30 . 1 . 79 . A 9 LYS CG . 18013 1 100 . 1 1 9 9 LYS CD C 13 29.308 0.30 . 1 . 80 . A 9 LYS CD . 18013 1 101 . 1 1 9 9 LYS CE C 13 40.856 0.30 . 1 . 81 . A 9 LYS CE . 18013 1 102 . 1 1 9 9 LYS N N 15 124.021 0.30 . 1 . 92 . A 9 LYS N . 18013 1 103 . 1 1 10 10 GLU H H 1 9.418 0.02 . 1 . 96 . A 10 GLU H . 18013 1 104 . 1 1 10 10 GLU HA H 1 5.096 0.02 . 1 . 97 . A 10 GLU HA . 18013 1 105 . 1 1 10 10 GLU HB2 H 1 2.218 0.02 . 2 . 99 . A 10 GLU HB2 . 18013 1 106 . 1 1 10 10 GLU HB3 H 1 2.542 0.02 . 2 . 98 . A 10 GLU HB3 . 18013 1 107 . 1 1 10 10 GLU HG2 H 1 2.472 0.02 . 1 . 1592 . A 10 GLU HG2 . 18013 1 108 . 1 1 10 10 GLU HG3 H 1 2.472 0.02 . 1 . 100 . A 10 GLU HG3 . 18013 1 109 . 1 1 10 10 GLU CA C 13 53.325 0.30 . 1 . 93 . A 10 GLU CA . 18013 1 110 . 1 1 10 10 GLU CB C 13 33.120 0.30 . 1 . 94 . A 10 GLU CB . 18013 1 111 . 1 1 10 10 GLU CG C 13 37.061 0.30 . 1 . 95 . A 10 GLU CG . 18013 1 112 . 1 1 10 10 GLU N N 15 122.999 0.30 . 1 . 101 . A 10 GLU N . 18013 1 113 . 1 1 11 11 PRO HA H 1 4.962 0.02 . 1 . 107 . A 11 PRO HA . 18013 1 114 . 1 1 11 11 PRO HB2 H 1 2.132 0.02 . 2 . 109 . A 11 PRO HB2 . 18013 1 115 . 1 1 11 11 PRO HB3 H 1 2.469 0.02 . 2 . 108 . A 11 PRO HB3 . 18013 1 116 . 1 1 11 11 PRO HG2 H 1 2.063 0.02 . 2 . 111 . A 11 PRO HG2 . 18013 1 117 . 1 1 11 11 PRO HG3 H 1 2.242 0.02 . 2 . 110 . A 11 PRO HG3 . 18013 1 118 . 1 1 11 11 PRO HD2 H 1 3.989 0.02 . 2 . 112 . A 11 PRO HD2 . 18013 1 119 . 1 1 11 11 PRO HD3 H 1 3.951 0.02 . 2 . 113 . A 11 PRO HD3 . 18013 1 120 . 1 1 11 11 PRO C C 13 175.482 0.30 . 1 . 102 . A 11 PRO C . 18013 1 121 . 1 1 11 11 PRO CA C 13 63.174 0.30 . 1 . 103 . A 11 PRO CA . 18013 1 122 . 1 1 11 11 PRO CB C 13 33.036 0.30 . 1 . 104 . A 11 PRO CB . 18013 1 123 . 1 1 11 11 PRO CG C 13 27.278 0.30 . 1 . 105 . A 11 PRO CG . 18013 1 124 . 1 1 11 11 PRO CD C 13 50.618 0.30 . 1 . 106 . A 11 PRO CD . 18013 1 125 . 1 1 12 12 ALA H H 1 8.125 0.02 . 1 . 117 . A 12 ALA H . 18013 1 126 . 1 1 12 12 ALA HA H 1 5.054 0.02 . 1 . 118 . A 12 ALA HA . 18013 1 127 . 1 1 12 12 ALA HB1 H 1 1.386 0.02 . 1 . 119 . A 12 ALA HB1 . 18013 1 128 . 1 1 12 12 ALA HB2 H 1 1.386 0.02 . 1 . 119 . A 12 ALA HB2 . 18013 1 129 . 1 1 12 12 ALA HB3 H 1 1.386 0.02 . 1 . 119 . A 12 ALA HB3 . 18013 1 130 . 1 1 12 12 ALA C C 13 175.561 0.30 . 1 . 114 . A 12 ALA C . 18013 1 131 . 1 1 12 12 ALA CA C 13 51.587 0.30 . 1 . 115 . A 12 ALA CA . 18013 1 132 . 1 1 12 12 ALA CB C 13 24.660 0.30 . 1 . 116 . A 12 ALA CB . 18013 1 133 . 1 1 12 12 ALA N N 15 119.908 0.30 . 1 . 120 . A 12 ALA N . 18013 1 134 . 1 1 13 13 THR H H 1 8.109 0.02 . 1 . 125 . A 13 THR H . 18013 1 135 . 1 1 13 13 THR HA H 1 4.752 0.02 . 1 . 126 . A 13 THR HA . 18013 1 136 . 1 1 13 13 THR HB H 1 4.160 0.02 . 1 . 127 . A 13 THR HB . 18013 1 137 . 1 1 13 13 THR HG21 H 1 1.336 0.02 . 1 . 128 . A 13 THR HG21 . 18013 1 138 . 1 1 13 13 THR HG22 H 1 1.336 0.02 . 1 . 128 . A 13 THR HG22 . 18013 1 139 . 1 1 13 13 THR HG23 H 1 1.336 0.02 . 1 . 128 . A 13 THR HG23 . 18013 1 140 . 1 1 13 13 THR C C 13 174.132 0.30 . 1 . 121 . A 13 THR C . 18013 1 141 . 1 1 13 13 THR CA C 13 60.511 0.30 . 1 . 122 . A 13 THR CA . 18013 1 142 . 1 1 13 13 THR CB C 13 71.499 0.30 . 1 . 123 . A 13 THR CB . 18013 1 143 . 1 1 13 13 THR CG2 C 13 22.325 0.30 . 1 . 124 . A 13 THR CG2 . 18013 1 144 . 1 1 13 13 THR N N 15 109.028 0.30 . 1 . 129 . A 13 THR N . 18013 1 145 . 1 1 14 14 LEU H H 1 9.200 0.02 . 1 . 135 . A 14 LEU H . 18013 1 146 . 1 1 14 14 LEU HA H 1 4.175 0.02 . 1 . 136 . A 14 LEU HA . 18013 1 147 . 1 1 14 14 LEU HB2 H 1 1.991 0.02 . 2 . 137 . A 14 LEU HB2 . 18013 1 148 . 1 1 14 14 LEU HB3 H 1 1.195 0.02 . 2 . 138 . A 14 LEU HB3 . 18013 1 149 . 1 1 14 14 LEU HG H 1 1.301 0.02 . 1 . 139 . A 14 LEU HG . 18013 1 150 . 1 1 14 14 LEU HD11 H 1 0.945 0.02 . 2 . 140 . A 14 LEU HD11 . 18013 1 151 . 1 1 14 14 LEU HD12 H 1 0.945 0.02 . 2 . 140 . A 14 LEU HD12 . 18013 1 152 . 1 1 14 14 LEU HD13 H 1 0.945 0.02 . 2 . 140 . A 14 LEU HD13 . 18013 1 153 . 1 1 14 14 LEU HD21 H 1 0.771 0.02 . 2 . 141 . A 14 LEU HD21 . 18013 1 154 . 1 1 14 14 LEU HD22 H 1 0.771 0.02 . 2 . 141 . A 14 LEU HD22 . 18013 1 155 . 1 1 14 14 LEU HD23 H 1 0.771 0.02 . 2 . 141 . A 14 LEU HD23 . 18013 1 156 . 1 1 14 14 LEU CA C 13 56.759 0.30 . 1 . 130 . A 14 LEU CA . 18013 1 157 . 1 1 14 14 LEU CB C 13 43.000 0.30 . 1 . 131 . A 14 LEU CB . 18013 1 158 . 1 1 14 14 LEU CG C 13 26.737 0.30 . 1 . 132 . A 14 LEU CG . 18013 1 159 . 1 1 14 14 LEU CD1 C 13 26.827 0.30 . 2 . 133 . A 14 LEU CD1 . 18013 1 160 . 1 1 14 14 LEU CD2 C 13 23.239 0.30 . 2 . 134 . A 14 LEU CD2 . 18013 1 161 . 1 1 14 14 LEU N N 15 125.279 0.30 . 1 . 142 . A 14 LEU N . 18013 1 162 . 1 1 15 15 ILE H H 1 8.455 0.02 . 1 . 149 . A 15 ILE H . 18013 1 163 . 1 1 15 15 ILE HA H 1 4.279 0.02 . 1 . 150 . A 15 ILE HA . 18013 1 164 . 1 1 15 15 ILE HB H 1 1.382 0.02 . 1 . 151 . A 15 ILE HB . 18013 1 165 . 1 1 15 15 ILE HG12 H 1 1.065 0.02 . 2 . 153 . A 15 ILE HG12 . 18013 1 166 . 1 1 15 15 ILE HG13 H 1 1.661 0.02 . 2 . 152 . A 15 ILE HG13 . 18013 1 167 . 1 1 15 15 ILE HG21 H 1 0.951 0.02 . 1 . 154 . A 15 ILE HG21 . 18013 1 168 . 1 1 15 15 ILE HG22 H 1 0.951 0.02 . 1 . 154 . A 15 ILE HG22 . 18013 1 169 . 1 1 15 15 ILE HG23 H 1 0.951 0.02 . 1 . 154 . A 15 ILE HG23 . 18013 1 170 . 1 1 15 15 ILE HD11 H 1 0.887 0.02 . 1 . 155 . A 15 ILE HD11 . 18013 1 171 . 1 1 15 15 ILE HD12 H 1 0.887 0.02 . 1 . 155 . A 15 ILE HD12 . 18013 1 172 . 1 1 15 15 ILE HD13 H 1 0.887 0.02 . 1 . 155 . A 15 ILE HD13 . 18013 1 173 . 1 1 15 15 ILE C C 13 175.938 0.30 . 1 . 143 . A 15 ILE C . 18013 1 174 . 1 1 15 15 ILE CA C 13 64.070 0.30 . 1 . 144 . A 15 ILE CA . 18013 1 175 . 1 1 15 15 ILE CB C 13 38.936 0.30 . 1 . 145 . A 15 ILE CB . 18013 1 176 . 1 1 15 15 ILE CG1 C 13 27.607 0.30 . 1 . 146 . A 15 ILE CG1 . 18013 1 177 . 1 1 15 15 ILE CG2 C 13 16.832 0.30 . 1 . 147 . A 15 ILE CG2 . 18013 1 178 . 1 1 15 15 ILE CD1 C 13 14.389 0.30 . 1 . 148 . A 15 ILE CD1 . 18013 1 179 . 1 1 15 15 ILE N N 15 125.098 0.30 . 1 . 156 . A 15 ILE N . 18013 1 180 . 1 1 16 16 LYS H H 1 8.113 0.02 . 1 . 163 . A 16 LYS H . 18013 1 181 . 1 1 16 16 LYS HA H 1 4.484 0.02 . 1 . 164 . A 16 LYS HA . 18013 1 182 . 1 1 16 16 LYS HB2 H 1 1.881 0.02 . 1 . 1593 . A 16 LYS HB2 . 18013 1 183 . 1 1 16 16 LYS HB3 H 1 1.881 0.02 . 1 . 165 . A 16 LYS HB3 . 18013 1 184 . 1 1 16 16 LYS HG2 H 1 1.361 0.02 . 1 . 166 . A 16 LYS HG2 . 18013 1 185 . 1 1 16 16 LYS HG3 H 1 1.361 0.02 . 1 . 1596 . A 16 LYS HG3 . 18013 1 186 . 1 1 16 16 LYS HD2 H 1 1.757 0.02 . 1 . 167 . A 16 LYS HD2 . 18013 1 187 . 1 1 16 16 LYS HD3 H 1 1.757 0.02 . 1 . 1594 . A 16 LYS HD3 . 18013 1 188 . 1 1 16 16 LYS HE2 H 1 3.004 0.02 . 1 . 168 . A 16 LYS HE2 . 18013 1 189 . 1 1 16 16 LYS HE3 H 1 3.004 0.02 . 1 . 1595 . A 16 LYS HE3 . 18013 1 190 . 1 1 16 16 LYS C C 13 174.173 0.30 . 1 . 157 . A 16 LYS C . 18013 1 191 . 1 1 16 16 LYS CA C 13 56.453 0.30 . 1 . 158 . A 16 LYS CA . 18013 1 192 . 1 1 16 16 LYS CB C 13 35.764 0.30 . 1 . 159 . A 16 LYS CB . 18013 1 193 . 1 1 16 16 LYS CG C 13 24.099 0.30 . 1 . 160 . A 16 LYS CG . 18013 1 194 . 1 1 16 16 LYS CD C 13 29.137 0.30 . 1 . 161 . A 16 LYS CD . 18013 1 195 . 1 1 16 16 LYS CE C 13 42.073 0.30 . 1 . 162 . A 16 LYS CE . 18013 1 196 . 1 1 16 16 LYS N N 15 114.598 0.30 . 1 . 169 . A 16 LYS N . 18013 1 197 . 1 1 17 17 ALA H H 1 9.518 0.02 . 1 . 173 . A 17 ALA H . 18013 1 198 . 1 1 17 17 ALA HA H 1 4.514 0.02 . 1 . 174 . A 17 ALA HA . 18013 1 199 . 1 1 17 17 ALA HB1 H 1 1.459 0.02 . 1 . 175 . A 17 ALA HB1 . 18013 1 200 . 1 1 17 17 ALA HB2 H 1 1.459 0.02 . 1 . 175 . A 17 ALA HB2 . 18013 1 201 . 1 1 17 17 ALA HB3 H 1 1.459 0.02 . 1 . 175 . A 17 ALA HB3 . 18013 1 202 . 1 1 17 17 ALA C C 13 175.715 0.30 . 1 . 170 . A 17 ALA C . 18013 1 203 . 1 1 17 17 ALA CA C 13 52.382 0.30 . 1 . 171 . A 17 ALA CA . 18013 1 204 . 1 1 17 17 ALA CB C 13 18.396 0.30 . 1 . 172 . A 17 ALA CB . 18013 1 205 . 1 1 17 17 ALA N N 15 129.739 0.30 . 1 . 176 . A 17 ALA N . 18013 1 206 . 1 1 18 18 ILE H H 1 8.068 0.02 . 1 . 183 . A 18 ILE H . 18013 1 207 . 1 1 18 18 ILE HA H 1 4.142 0.02 . 1 . 184 . A 18 ILE HA . 18013 1 208 . 1 1 18 18 ILE HB H 1 1.663 0.02 . 1 . 185 . A 18 ILE HB . 18013 1 209 . 1 1 18 18 ILE HG12 H 1 1.120 0.02 . 2 . 187 . A 18 ILE HG12 . 18013 1 210 . 1 1 18 18 ILE HG13 H 1 1.487 0.02 . 2 . 186 . A 18 ILE HG13 . 18013 1 211 . 1 1 18 18 ILE HG21 H 1 0.869 0.02 . 1 . 188 . A 18 ILE HG21 . 18013 1 212 . 1 1 18 18 ILE HG22 H 1 0.869 0.02 . 1 . 188 . A 18 ILE HG22 . 18013 1 213 . 1 1 18 18 ILE HG23 H 1 0.869 0.02 . 1 . 188 . A 18 ILE HG23 . 18013 1 214 . 1 1 18 18 ILE HD11 H 1 0.815 0.02 . 1 . 189 . A 18 ILE HD11 . 18013 1 215 . 1 1 18 18 ILE HD12 H 1 0.815 0.02 . 1 . 189 . A 18 ILE HD12 . 18013 1 216 . 1 1 18 18 ILE HD13 H 1 0.815 0.02 . 1 . 189 . A 18 ILE HD13 . 18013 1 217 . 1 1 18 18 ILE C C 13 175.319 0.30 . 1 . 177 . A 18 ILE C . 18013 1 218 . 1 1 18 18 ILE CA C 13 63.271 0.30 . 1 . 178 . A 18 ILE CA . 18013 1 219 . 1 1 18 18 ILE CB C 13 38.304 0.30 . 1 . 179 . A 18 ILE CB . 18013 1 220 . 1 1 18 18 ILE CG1 C 13 27.327 0.30 . 1 . 180 . A 18 ILE CG1 . 18013 1 221 . 1 1 18 18 ILE CG2 C 13 16.769 0.30 . 1 . 181 . A 18 ILE CG2 . 18013 1 222 . 1 1 18 18 ILE CD1 C 13 13.500 0.30 . 1 . 182 . A 18 ILE CD1 . 18013 1 223 . 1 1 18 18 ILE N N 15 123.773 0.30 . 1 . 190 . A 18 ILE N . 18013 1 224 . 1 1 19 19 ASP H H 1 8.355 0.02 . 1 . 194 . A 19 ASP H . 18013 1 225 . 1 1 19 19 ASP HA H 1 4.694 0.02 . 1 . 195 . A 19 ASP HA . 18013 1 226 . 1 1 19 19 ASP HB2 H 1 2.993 0.02 . 2 . 197 . A 19 ASP HB2 . 18013 1 227 . 1 1 19 19 ASP HB3 H 1 3.092 0.02 . 2 . 196 . A 19 ASP HB3 . 18013 1 228 . 1 1 19 19 ASP C C 13 176.994 0.30 . 1 . 191 . A 19 ASP C . 18013 1 229 . 1 1 19 19 ASP CA C 13 53.808 0.30 . 1 . 192 . A 19 ASP CA . 18013 1 230 . 1 1 19 19 ASP CB C 13 39.792 0.30 . 1 . 193 . A 19 ASP CB . 18013 1 231 . 1 1 19 19 ASP N N 15 119.123 0.30 . 1 . 198 . A 19 ASP N . 18013 1 232 . 1 1 20 20 GLY H H 1 8.663 0.02 . 1 . 201 . A 20 GLY H . 18013 1 233 . 1 1 20 20 GLY HA2 H 1 3.640 0.02 . 2 . 203 . A 20 GLY HA2 . 18013 1 234 . 1 1 20 20 GLY HA3 H 1 3.864 0.02 . 2 . 202 . A 20 GLY HA3 . 18013 1 235 . 1 1 20 20 GLY C C 13 173.282 0.30 . 1 . 199 . A 20 GLY C . 18013 1 236 . 1 1 20 20 GLY CA C 13 47.507 0.30 . 1 . 200 . A 20 GLY CA . 18013 1 237 . 1 1 20 20 GLY N N 15 104.035 0.30 . 1 . 204 . A 20 GLY N . 18013 1 238 . 1 1 21 21 ASP H H 1 7.874 0.02 . 1 . 208 . A 21 ASP H . 18013 1 239 . 1 1 21 21 ASP HA H 1 4.992 0.02 . 1 . 209 . A 21 ASP HA . 18013 1 240 . 1 1 21 21 ASP HB2 H 1 2.554 0.02 . 2 . 211 . A 21 ASP HB2 . 18013 1 241 . 1 1 21 21 ASP HB3 H 1 3.249 0.02 . 2 . 210 . A 21 ASP HB3 . 18013 1 242 . 1 1 21 21 ASP C C 13 174.957 0.30 . 1 . 205 . A 21 ASP C . 18013 1 243 . 1 1 21 21 ASP CA C 13 51.485 0.30 . 1 . 206 . A 21 ASP CA . 18013 1 244 . 1 1 21 21 ASP CB C 13 39.655 0.30 . 1 . 207 . A 21 ASP CB . 18013 1 245 . 1 1 21 21 ASP N N 15 110.701 0.30 . 1 . 212 . A 21 ASP N . 18013 1 246 . 1 1 22 22 THR H H 1 7.612 0.02 . 1 . 217 . A 22 THR H . 18013 1 247 . 1 1 22 22 THR HA H 1 5.674 0.02 . 1 . 218 . A 22 THR HA . 18013 1 248 . 1 1 22 22 THR HB H 1 3.792 0.02 . 1 . 219 . A 22 THR HB . 18013 1 249 . 1 1 22 22 THR HG21 H 1 1.144 0.02 . 1 . 220 . A 22 THR HG21 . 18013 1 250 . 1 1 22 22 THR HG22 H 1 1.144 0.02 . 1 . 220 . A 22 THR HG22 . 18013 1 251 . 1 1 22 22 THR HG23 H 1 1.144 0.02 . 1 . 220 . A 22 THR HG23 . 18013 1 252 . 1 1 22 22 THR C C 13 174.220 0.30 . 1 . 213 . A 22 THR C . 18013 1 253 . 1 1 22 22 THR CA C 13 61.689 0.30 . 1 . 214 . A 22 THR CA . 18013 1 254 . 1 1 22 22 THR CB C 13 70.238 0.30 . 1 . 215 . A 22 THR CB . 18013 1 255 . 1 1 22 22 THR CG2 C 13 21.658 0.30 . 1 . 216 . A 22 THR CG2 . 18013 1 256 . 1 1 22 22 THR N N 15 115.354 0.30 . 1 . 221 . A 22 THR N . 18013 1 257 . 1 1 23 23 VAL H H 1 9.062 0.02 . 1 . 227 . A 23 VAL H . 18013 1 258 . 1 1 23 23 VAL HA H 1 4.677 0.02 . 1 . 228 . A 23 VAL HA . 18013 1 259 . 1 1 23 23 VAL HB H 1 1.954 0.02 . 1 . 229 . A 23 VAL HB . 18013 1 260 . 1 1 23 23 VAL HG11 H 1 0.891 0.02 . 2 . 230 . A 23 VAL HG11 . 18013 1 261 . 1 1 23 23 VAL HG12 H 1 0.891 0.02 . 2 . 230 . A 23 VAL HG12 . 18013 1 262 . 1 1 23 23 VAL HG13 H 1 0.891 0.02 . 2 . 230 . A 23 VAL HG13 . 18013 1 263 . 1 1 23 23 VAL HG21 H 1 0.827 0.02 . 2 . 231 . A 23 VAL HG21 . 18013 1 264 . 1 1 23 23 VAL HG22 H 1 0.827 0.02 . 2 . 231 . A 23 VAL HG22 . 18013 1 265 . 1 1 23 23 VAL HG23 H 1 0.827 0.02 . 2 . 231 . A 23 VAL HG23 . 18013 1 266 . 1 1 23 23 VAL C C 13 172.225 0.30 . 1 . 222 . A 23 VAL C . 18013 1 267 . 1 1 23 23 VAL CA C 13 60.054 0.30 . 1 . 223 . A 23 VAL CA . 18013 1 268 . 1 1 23 23 VAL CB C 13 36.323 0.30 . 1 . 224 . A 23 VAL CB . 18013 1 269 . 1 1 23 23 VAL CG1 C 13 22.121 0.30 . 2 . 225 . A 23 VAL CG1 . 18013 1 270 . 1 1 23 23 VAL CG2 C 13 20.158 0.30 . 2 . 226 . A 23 VAL CG2 . 18013 1 271 . 1 1 23 23 VAL N N 15 119.549 0.30 . 1 . 232 . A 23 VAL N . 18013 1 272 . 1 1 24 24 LYS H H 1 9.493 0.02 . 1 . 239 . A 24 LYS H . 18013 1 273 . 1 1 24 24 LYS HA H 1 5.466 0.02 . 1 . 240 . A 24 LYS HA . 18013 1 274 . 1 1 24 24 LYS HB2 H 1 2.035 0.02 . 2 . 241 . A 24 LYS HB2 . 18013 1 275 . 1 1 24 24 LYS HB3 H 1 1.735 0.02 . 2 . 242 . A 24 LYS HB3 . 18013 1 276 . 1 1 24 24 LYS HG2 H 1 0.849 0.02 . 2 . 244 . A 24 LYS HG2 . 18013 1 277 . 1 1 24 24 LYS HG3 H 1 1.425 0.02 . 2 . 243 . A 24 LYS HG3 . 18013 1 278 . 1 1 24 24 LYS HD2 H 1 1.681 0.02 . 1 . 245 . A 24 LYS HD2 . 18013 1 279 . 1 1 24 24 LYS HD3 H 1 1.681 0.02 . 1 . 1597 . A 24 LYS HD3 . 18013 1 280 . 1 1 24 24 LYS HE2 H 1 2.882 0.02 . 1 . 246 . A 24 LYS HE2 . 18013 1 281 . 1 1 24 24 LYS HE3 H 1 2.882 0.02 . 1 . 1598 . A 24 LYS HE3 . 18013 1 282 . 1 1 24 24 LYS C C 13 175.280 0.30 . 1 . 233 . A 24 LYS C . 18013 1 283 . 1 1 24 24 LYS CA C 13 55.910 0.30 . 1 . 234 . A 24 LYS CA . 18013 1 284 . 1 1 24 24 LYS CB C 13 34.644 0.30 . 1 . 235 . A 24 LYS CB . 18013 1 285 . 1 1 24 24 LYS CG C 13 25.513 0.30 . 1 . 236 . A 24 LYS CG . 18013 1 286 . 1 1 24 24 LYS CD C 13 29.884 0.30 . 1 . 237 . A 24 LYS CD . 18013 1 287 . 1 1 24 24 LYS CE C 13 41.936 0.30 . 1 . 238 . A 24 LYS CE . 18013 1 288 . 1 1 24 24 LYS N N 15 127.206 0.30 . 1 . 247 . A 24 LYS N . 18013 1 289 . 1 1 25 25 LEU H H 1 9.437 0.02 . 1 . 254 . A 25 LEU H . 18013 1 290 . 1 1 25 25 LEU HA H 1 5.264 0.02 . 1 . 255 . A 25 LEU HA . 18013 1 291 . 1 1 25 25 LEU HB2 H 1 1.825 0.02 . 2 . 256 . A 25 LEU HB2 . 18013 1 292 . 1 1 25 25 LEU HB3 H 1 1.480 0.02 . 2 . 257 . A 25 LEU HB3 . 18013 1 293 . 1 1 25 25 LEU HG H 1 1.556 0.02 . 1 . 258 . A 25 LEU HG . 18013 1 294 . 1 1 25 25 LEU HD11 H 1 0.081 0.02 . 2 . 259 . A 25 LEU HD11 . 18013 1 295 . 1 1 25 25 LEU HD12 H 1 0.081 0.02 . 2 . 259 . A 25 LEU HD12 . 18013 1 296 . 1 1 25 25 LEU HD13 H 1 0.081 0.02 . 2 . 259 . A 25 LEU HD13 . 18013 1 297 . 1 1 25 25 LEU HD21 H 1 0.793 0.02 . 2 . 260 . A 25 LEU HD21 . 18013 1 298 . 1 1 25 25 LEU HD22 H 1 0.793 0.02 . 2 . 260 . A 25 LEU HD22 . 18013 1 299 . 1 1 25 25 LEU HD23 H 1 0.793 0.02 . 2 . 260 . A 25 LEU HD23 . 18013 1 300 . 1 1 25 25 LEU C C 13 174.627 0.30 . 1 . 248 . A 25 LEU C . 18013 1 301 . 1 1 25 25 LEU CA C 13 53.127 0.30 . 1 . 249 . A 25 LEU CA . 18013 1 302 . 1 1 25 25 LEU CB C 13 45.613 0.30 . 1 . 250 . A 25 LEU CB . 18013 1 303 . 1 1 25 25 LEU CG C 13 26.707 0.30 . 1 . 251 . A 25 LEU CG . 18013 1 304 . 1 1 25 25 LEU CD1 C 13 25.550 0.30 . 2 . 252 . A 25 LEU CD1 . 18013 1 305 . 1 1 25 25 LEU CD2 C 13 25.012 0.30 . 2 . 253 . A 25 LEU CD2 . 18013 1 306 . 1 1 25 25 LEU N N 15 127.186 0.30 . 1 . 261 . A 25 LEU N . 18013 1 307 . 1 1 26 26 MET H H 1 9.588 0.02 . 1 . 267 . A 26 MET H . 18013 1 308 . 1 1 26 26 MET HA H 1 4.902 0.02 . 1 . 268 . A 26 MET HA . 18013 1 309 . 1 1 26 26 MET HB2 H 1 1.790 0.02 . 2 . 270 . A 26 MET HB2 . 18013 1 310 . 1 1 26 26 MET HB3 H 1 2.335 0.02 . 2 . 269 . A 26 MET HB3 . 18013 1 311 . 1 1 26 26 MET HG2 H 1 2.542 0.02 . 2 . 271 . A 26 MET HG2 . 18013 1 312 . 1 1 26 26 MET HG3 H 1 2.216 0.02 . 2 . 272 . A 26 MET HG3 . 18013 1 313 . 1 1 26 26 MET HE1 H 1 2.008 0.02 . 1 . 273 . A 26 MET HE1 . 18013 1 314 . 1 1 26 26 MET HE2 H 1 2.008 0.02 . 1 . 273 . A 26 MET HE2 . 18013 1 315 . 1 1 26 26 MET HE3 H 1 2.008 0.02 . 1 . 273 . A 26 MET HE3 . 18013 1 316 . 1 1 26 26 MET C C 13 175.255 0.30 . 1 . 262 . A 26 MET C . 18013 1 317 . 1 1 26 26 MET CA C 13 54.677 0.30 . 1 . 263 . A 26 MET CA . 18013 1 318 . 1 1 26 26 MET CB C 13 31.535 0.30 . 1 . 264 . A 26 MET CB . 18013 1 319 . 1 1 26 26 MET CG C 13 32.109 0.30 . 1 . 265 . A 26 MET CG . 18013 1 320 . 1 1 26 26 MET CE C 13 16.901 0.30 . 1 . 266 . A 26 MET CE . 18013 1 321 . 1 1 26 26 MET N N 15 122.117 0.30 . 1 . 274 . A 26 MET N . 18013 1 322 . 1 1 27 27 TYR H H 1 9.119 0.02 . 1 . 280 . A 27 TYR H . 18013 1 323 . 1 1 27 27 TYR HA H 1 5.092 0.02 . 1 . 281 . A 27 TYR HA . 18013 1 324 . 1 1 27 27 TYR HB2 H 1 3.038 0.02 . 2 . 283 . A 27 TYR HB2 . 18013 1 325 . 1 1 27 27 TYR HB3 H 1 3.191 0.02 . 2 . 282 . A 27 TYR HB3 . 18013 1 326 . 1 1 27 27 TYR HD1 H 1 7.389 0.02 . 3 . 284 . A 27 TYR HD1 . 18013 1 327 . 1 1 27 27 TYR HD2 H 1 7.389 0.02 . 3 . 284 . A 27 TYR HD2 . 18013 1 328 . 1 1 27 27 TYR HE1 H 1 6.948 0.02 . 3 . 285 . A 27 TYR HE1 . 18013 1 329 . 1 1 27 27 TYR HE2 H 1 6.948 0.02 . 3 . 285 . A 27 TYR HE2 . 18013 1 330 . 1 1 27 27 TYR C C 13 173.942 0.30 . 1 . 275 . A 27 TYR C . 18013 1 331 . 1 1 27 27 TYR CA C 13 56.815 0.30 . 1 . 276 . A 27 TYR CA . 18013 1 332 . 1 1 27 27 TYR CB C 13 41.879 0.30 . 1 . 277 . A 27 TYR CB . 18013 1 333 . 1 1 27 27 TYR CD1 C 13 133.819 0.30 . 3 . 278 . A 27 TYR CD1 . 18013 1 334 . 1 1 27 27 TYR CD2 C 13 133.819 0.30 . 3 . 278 . A 27 TYR CD2 . 18013 1 335 . 1 1 27 27 TYR CE1 C 13 118.274 0.30 . 3 . 279 . A 27 TYR CE1 . 18013 1 336 . 1 1 27 27 TYR CE2 C 13 118.274 0.30 . 3 . 279 . A 27 TYR CE2 . 18013 1 337 . 1 1 27 27 TYR N N 15 129.782 0.30 . 1 . 286 . A 27 TYR N . 18013 1 338 . 1 1 28 28 LYS H H 1 9.333 0.02 . 1 . 293 . A 28 LYS H . 18013 1 339 . 1 1 28 28 LYS HA H 1 3.635 0.02 . 1 . 294 . A 28 LYS HA . 18013 1 340 . 1 1 28 28 LYS HB2 H 1 1.801 0.02 . 2 . 295 . A 28 LYS HB2 . 18013 1 341 . 1 1 28 28 LYS HB3 H 1 1.443 0.02 . 2 . 296 . A 28 LYS HB3 . 18013 1 342 . 1 1 28 28 LYS HG2 H 1 1.675 0.02 . 1 . 297 . A 28 LYS HG2 . 18013 1 343 . 1 1 28 28 LYS HG3 H 1 1.675 0.02 . 1 . 1600 . A 28 LYS HG3 . 18013 1 344 . 1 1 28 28 LYS HE2 H 1 2.949 0.02 . 1 . 298 . A 28 LYS HE2 . 18013 1 345 . 1 1 28 28 LYS HE3 H 1 2.949 0.02 . 1 . 1599 . A 28 LYS HE3 . 18013 1 346 . 1 1 28 28 LYS C C 13 177.023 0.30 . 1 . 287 . A 28 LYS C . 18013 1 347 . 1 1 28 28 LYS CA C 13 57.440 0.30 . 1 . 288 . A 28 LYS CA . 18013 1 348 . 1 1 28 28 LYS CB C 13 29.652 0.30 . 1 . 289 . A 28 LYS CB . 18013 1 349 . 1 1 28 28 LYS CG C 13 24.882 0.30 . 1 . 290 . A 28 LYS CG . 18013 1 350 . 1 1 28 28 LYS CD C 13 29.332 0.30 . 1 . 291 . A 28 LYS CD . 18013 1 351 . 1 1 28 28 LYS CE C 13 42.248 0.30 . 1 . 292 . A 28 LYS CE . 18013 1 352 . 1 1 28 28 LYS N N 15 127.348 0.30 . 1 . 299 . A 28 LYS N . 18013 1 353 . 1 1 29 29 GLY H H 1 8.458 0.02 . 1 . 302 . A 29 GLY H . 18013 1 354 . 1 1 29 29 GLY HA2 H 1 3.609 0.02 . 2 . 304 . A 29 GLY HA2 . 18013 1 355 . 1 1 29 29 GLY HA3 H 1 4.172 0.02 . 2 . 303 . A 29 GLY HA3 . 18013 1 356 . 1 1 29 29 GLY C C 13 173.798 0.30 . 1 . 300 . A 29 GLY C . 18013 1 357 . 1 1 29 29 GLY CA C 13 45.520 0.30 . 1 . 301 . A 29 GLY CA . 18013 1 358 . 1 1 29 29 GLY N N 15 102.375 0.30 . 1 . 305 . A 29 GLY N . 18013 1 359 . 1 1 30 30 GLN H H 1 7.855 0.02 . 1 . 309 . A 30 GLN H . 18013 1 360 . 1 1 30 30 GLN HA H 1 5.084 0.02 . 1 . 310 . A 30 GLN HA . 18013 1 361 . 1 1 30 30 GLN HB2 H 1 2.102 0.02 . 2 . 312 . A 30 GLN HB2 . 18013 1 362 . 1 1 30 30 GLN HB3 H 1 2.235 0.02 . 2 . 311 . A 30 GLN HB3 . 18013 1 363 . 1 1 30 30 GLN HG2 H 1 2.444 0.02 . 1 . 313 . A 30 GLN HG2 . 18013 1 364 . 1 1 30 30 GLN HG3 H 1 2.444 0.02 . 1 . 1601 . A 30 GLN HG3 . 18013 1 365 . 1 1 30 30 GLN HE21 H 1 6.870 0.02 . 1 . 315 . A 30 GLN HE21 . 18013 1 366 . 1 1 30 30 GLN HE22 H 1 7.519 0.02 . 1 . 314 . A 30 GLN HE22 . 18013 1 367 . 1 1 30 30 GLN CA C 13 52.423 0.30 . 1 . 306 . A 30 GLN CA . 18013 1 368 . 1 1 30 30 GLN CB C 13 31.475 0.30 . 1 . 307 . A 30 GLN CB . 18013 1 369 . 1 1 30 30 GLN CG C 13 33.274 0.30 . 1 . 308 . A 30 GLN CG . 18013 1 370 . 1 1 30 30 GLN N N 15 118.999 0.30 . 1 . 316 . A 30 GLN N . 18013 1 371 . 1 1 30 30 GLN NE2 N 15 111.534 0.30 . 1 . 317 . A 30 GLN NE2 . 18013 1 372 . 1 1 31 31 PRO HA H 1 4.918 0.02 . 1 . 323 . A 31 PRO HA . 18013 1 373 . 1 1 31 31 PRO HB2 H 1 1.952 0.02 . 2 . 325 . A 31 PRO HB2 . 18013 1 374 . 1 1 31 31 PRO HB3 H 1 2.092 0.02 . 2 . 324 . A 31 PRO HB3 . 18013 1 375 . 1 1 31 31 PRO HG2 H 1 2.028 0.02 . 2 . 327 . A 31 PRO HG2 . 18013 1 376 . 1 1 31 31 PRO HG3 H 1 2.311 0.02 . 2 . 326 . A 31 PRO HG3 . 18013 1 377 . 1 1 31 31 PRO HD2 H 1 3.823 0.02 . 2 . 328 . A 31 PRO HD2 . 18013 1 378 . 1 1 31 31 PRO HD3 H 1 3.542 0.02 . 2 . 329 . A 31 PRO HD3 . 18013 1 379 . 1 1 31 31 PRO C C 13 177.349 0.30 . 1 . 318 . A 31 PRO C . 18013 1 380 . 1 1 31 31 PRO CA C 13 62.618 0.30 . 1 . 319 . A 31 PRO CA . 18013 1 381 . 1 1 31 31 PRO CB C 13 31.903 0.30 . 1 . 320 . A 31 PRO CB . 18013 1 382 . 1 1 31 31 PRO CG C 13 27.802 0.30 . 1 . 321 . A 31 PRO CG . 18013 1 383 . 1 1 31 31 PRO CD C 13 50.918 0.30 . 1 . 322 . A 31 PRO CD . 18013 1 384 . 1 1 32 32 MET H H 1 9.616 0.02 . 1 . 335 . A 32 MET H . 18013 1 385 . 1 1 32 32 MET HA H 1 4.695 0.02 . 1 . 336 . A 32 MET HA . 18013 1 386 . 1 1 32 32 MET HB2 H 1 2.048 0.02 . 2 . 338 . A 32 MET HB2 . 18013 1 387 . 1 1 32 32 MET HB3 H 1 2.185 0.02 . 2 . 337 . A 32 MET HB3 . 18013 1 388 . 1 1 32 32 MET HG2 H 1 2.465 0.02 . 2 . 339 . A 32 MET HG2 . 18013 1 389 . 1 1 32 32 MET HG3 H 1 2.065 0.02 . 2 . 340 . A 32 MET HG3 . 18013 1 390 . 1 1 32 32 MET HE1 H 1 1.925 0.02 . 1 . 341 . A 32 MET HE1 . 18013 1 391 . 1 1 32 32 MET HE2 H 1 1.925 0.02 . 1 . 341 . A 32 MET HE2 . 18013 1 392 . 1 1 32 32 MET HE3 H 1 1.925 0.02 . 1 . 341 . A 32 MET HE3 . 18013 1 393 . 1 1 32 32 MET C C 13 174.400 0.30 . 1 . 330 . A 32 MET C . 18013 1 394 . 1 1 32 32 MET CA C 13 55.951 0.30 . 1 . 331 . A 32 MET CA . 18013 1 395 . 1 1 32 32 MET CB C 13 37.053 0.30 . 1 . 332 . A 32 MET CB . 18013 1 396 . 1 1 32 32 MET CG C 13 32.259 0.30 . 1 . 333 . A 32 MET CG . 18013 1 397 . 1 1 32 32 MET CE C 13 17.091 0.30 . 1 . 334 . A 32 MET CE . 18013 1 398 . 1 1 32 32 MET N N 15 125.934 0.30 . 1 . 342 . A 32 MET N . 18013 1 399 . 1 1 33 33 THR H H 1 8.964 0.02 . 1 . 347 . A 33 THR H . 18013 1 400 . 1 1 33 33 THR HA H 1 4.608 0.02 . 1 . 348 . A 33 THR HA . 18013 1 401 . 1 1 33 33 THR HB H 1 4.009 0.02 . 1 . 349 . A 33 THR HB . 18013 1 402 . 1 1 33 33 THR HG21 H 1 1.054 0.02 . 1 . 350 . A 33 THR HG21 . 18013 1 403 . 1 1 33 33 THR HG22 H 1 1.054 0.02 . 1 . 350 . A 33 THR HG22 . 18013 1 404 . 1 1 33 33 THR HG23 H 1 1.054 0.02 . 1 . 350 . A 33 THR HG23 . 18013 1 405 . 1 1 33 33 THR C C 13 172.988 0.30 . 1 . 343 . A 33 THR C . 18013 1 406 . 1 1 33 33 THR CA C 13 63.782 0.30 . 1 . 344 . A 33 THR CA . 18013 1 407 . 1 1 33 33 THR CB C 13 68.472 0.30 . 1 . 345 . A 33 THR CB . 18013 1 408 . 1 1 33 33 THR CG2 C 13 22.783 0.30 . 1 . 346 . A 33 THR CG2 . 18013 1 409 . 1 1 33 33 THR N N 15 123.785 0.30 . 1 . 351 . A 33 THR N . 18013 1 410 . 1 1 34 34 PHE H H 1 9.592 0.02 . 1 . 358 . A 34 PHE H . 18013 1 411 . 1 1 34 34 PHE HA H 1 5.065 0.02 . 1 . 359 . A 34 PHE HA . 18013 1 412 . 1 1 34 34 PHE HB2 H 1 2.468 0.02 . 2 . 361 . A 34 PHE HB2 . 18013 1 413 . 1 1 34 34 PHE HB3 H 1 2.887 0.02 . 2 . 360 . A 34 PHE HB3 . 18013 1 414 . 1 1 34 34 PHE HD1 H 1 6.934 0.02 . 3 . 362 . A 34 PHE HD1 . 18013 1 415 . 1 1 34 34 PHE HD2 H 1 6.934 0.02 . 3 . 362 . A 34 PHE HD2 . 18013 1 416 . 1 1 34 34 PHE HE1 H 1 6.859 0.02 . 3 . 363 . A 34 PHE HE1 . 18013 1 417 . 1 1 34 34 PHE HE2 H 1 6.859 0.02 . 3 . 363 . A 34 PHE HE2 . 18013 1 418 . 1 1 34 34 PHE HZ H 1 6.639 0.02 . 1 . 364 . A 34 PHE HZ . 18013 1 419 . 1 1 34 34 PHE C C 13 173.983 0.30 . 1 . 352 . A 34 PHE C . 18013 1 420 . 1 1 34 34 PHE CA C 13 57.259 0.30 . 1 . 353 . A 34 PHE CA . 18013 1 421 . 1 1 34 34 PHE CB C 13 42.491 0.30 . 1 . 354 . A 34 PHE CB . 18013 1 422 . 1 1 34 34 PHE CD1 C 13 131.088 0.30 . 3 . 355 . A 34 PHE CD1 . 18013 1 423 . 1 1 34 34 PHE CD2 C 13 131.088 0.30 . 3 . 355 . A 34 PHE CD2 . 18013 1 424 . 1 1 34 34 PHE CE1 C 13 128.943 0.30 . 3 . 356 . A 34 PHE CE1 . 18013 1 425 . 1 1 34 34 PHE CE2 C 13 128.943 0.30 . 3 . 356 . A 34 PHE CE2 . 18013 1 426 . 1 1 34 34 PHE CZ C 13 129.676 0.30 . 1 . 357 . A 34 PHE CZ . 18013 1 427 . 1 1 34 34 PHE N N 15 125.608 0.30 . 1 . 365 . A 34 PHE N . 18013 1 428 . 1 1 35 35 ARG H H 1 9.564 0.02 . 1 . 371 . A 35 ARG H . 18013 1 429 . 1 1 35 35 ARG HA H 1 5.309 0.02 . 1 . 372 . A 35 ARG HA . 18013 1 430 . 1 1 35 35 ARG HB2 H 1 1.907 0.02 . 2 . 373 . A 35 ARG HB2 . 18013 1 431 . 1 1 35 35 ARG HB3 H 1 1.466 0.02 . 2 . 374 . A 35 ARG HB3 . 18013 1 432 . 1 1 35 35 ARG HG2 H 1 1.572 0.02 . 2 . 376 . A 35 ARG HG2 . 18013 1 433 . 1 1 35 35 ARG HG3 H 1 1.670 0.02 . 2 . 375 . A 35 ARG HG3 . 18013 1 434 . 1 1 35 35 ARG HD2 H 1 3.429 0.02 . 1 . 377 . A 35 ARG HD2 . 18013 1 435 . 1 1 35 35 ARG HD3 H 1 3.429 0.02 . 1 . 1602 . A 35 ARG HD3 . 18013 1 436 . 1 1 35 35 ARG HE H 1 7.147 0.02 . 1 . 378 . A 35 ARG HE . 18013 1 437 . 1 1 35 35 ARG C C 13 175.314 0.30 . 1 . 366 . A 35 ARG C . 18013 1 438 . 1 1 35 35 ARG CA C 13 52.407 0.30 . 1 . 367 . A 35 ARG CA . 18013 1 439 . 1 1 35 35 ARG CB C 13 32.713 0.30 . 1 . 368 . A 35 ARG CB . 18013 1 440 . 1 1 35 35 ARG CG C 13 26.759 0.30 . 1 . 369 . A 35 ARG CG . 18013 1 441 . 1 1 35 35 ARG CD C 13 42.786 0.30 . 1 . 370 . A 35 ARG CD . 18013 1 442 . 1 1 35 35 ARG N N 15 122.822 0.30 . 1 . 379 . A 35 ARG N . 18013 1 443 . 1 1 35 35 ARG NE N 15 83.984 0.30 . 1 . 380 . A 35 ARG NE . 18013 1 444 . 1 1 36 36 LEU H H 1 8.405 0.02 . 1 . 386 . A 36 LEU H . 18013 1 445 . 1 1 36 36 LEU HA H 1 4.430 0.02 . 1 . 387 . A 36 LEU HA . 18013 1 446 . 1 1 36 36 LEU HB2 H 1 1.647 0.02 . 2 . 388 . A 36 LEU HB2 . 18013 1 447 . 1 1 36 36 LEU HB3 H 1 1.554 0.02 . 2 . 389 . A 36 LEU HB3 . 18013 1 448 . 1 1 36 36 LEU HG H 1 1.689 0.02 . 1 . 390 . A 36 LEU HG . 18013 1 449 . 1 1 36 36 LEU HD11 H 1 0.840 0.02 . 2 . 391 . A 36 LEU HD11 . 18013 1 450 . 1 1 36 36 LEU HD12 H 1 0.840 0.02 . 2 . 391 . A 36 LEU HD12 . 18013 1 451 . 1 1 36 36 LEU HD13 H 1 0.840 0.02 . 2 . 391 . A 36 LEU HD13 . 18013 1 452 . 1 1 36 36 LEU HD21 H 1 0.771 0.02 . 2 . 392 . A 36 LEU HD21 . 18013 1 453 . 1 1 36 36 LEU HD22 H 1 0.771 0.02 . 2 . 392 . A 36 LEU HD22 . 18013 1 454 . 1 1 36 36 LEU HD23 H 1 0.771 0.02 . 2 . 392 . A 36 LEU HD23 . 18013 1 455 . 1 1 36 36 LEU CA C 13 55.448 0.30 . 1 . 381 . A 36 LEU CA . 18013 1 456 . 1 1 36 36 LEU CB C 13 41.818 0.30 . 1 . 382 . A 36 LEU CB . 18013 1 457 . 1 1 36 36 LEU CG C 13 28.323 0.30 . 1 . 383 . A 36 LEU CG . 18013 1 458 . 1 1 36 36 LEU CD1 C 13 26.425 0.30 . 2 . 384 . A 36 LEU CD1 . 18013 1 459 . 1 1 36 36 LEU CD2 C 13 24.312 0.30 . 2 . 385 . A 36 LEU CD2 . 18013 1 460 . 1 1 36 36 LEU N N 15 122.916 0.30 . 1 . 393 . A 36 LEU N . 18013 1 461 . 1 1 37 37 LEU H H 1 7.790 0.02 . 1 . 400 . A 37 LEU H . 18013 1 462 . 1 1 37 37 LEU HA H 1 4.003 0.02 . 1 . 401 . A 37 LEU HA . 18013 1 463 . 1 1 37 37 LEU HB2 H 1 0.942 0.02 . 2 . 402 . A 37 LEU HB2 . 18013 1 464 . 1 1 37 37 LEU HB3 H 1 0.789 0.02 . 2 . 403 . A 37 LEU HB3 . 18013 1 465 . 1 1 37 37 LEU HG H 1 1.350 0.02 . 1 . 404 . A 37 LEU HG . 18013 1 466 . 1 1 37 37 LEU HD11 H 1 1.034 0.02 . 2 . 405 . A 37 LEU HD11 . 18013 1 467 . 1 1 37 37 LEU HD12 H 1 1.034 0.02 . 2 . 405 . A 37 LEU HD12 . 18013 1 468 . 1 1 37 37 LEU HD13 H 1 1.034 0.02 . 2 . 405 . A 37 LEU HD13 . 18013 1 469 . 1 1 37 37 LEU HD21 H 1 0.578 0.02 . 2 . 406 . A 37 LEU HD21 . 18013 1 470 . 1 1 37 37 LEU HD22 H 1 0.578 0.02 . 2 . 406 . A 37 LEU HD22 . 18013 1 471 . 1 1 37 37 LEU HD23 H 1 0.578 0.02 . 2 . 406 . A 37 LEU HD23 . 18013 1 472 . 1 1 37 37 LEU C C 13 175.160 0.30 . 1 . 394 . A 37 LEU C . 18013 1 473 . 1 1 37 37 LEU CA C 13 55.710 0.30 . 1 . 395 . A 37 LEU CA . 18013 1 474 . 1 1 37 37 LEU CB C 13 44.493 0.30 . 1 . 396 . A 37 LEU CB . 18013 1 475 . 1 1 37 37 LEU CG C 13 27.536 0.30 . 1 . 397 . A 37 LEU CG . 18013 1 476 . 1 1 37 37 LEU CD1 C 13 25.429 0.30 . 2 . 398 . A 37 LEU CD1 . 18013 1 477 . 1 1 37 37 LEU CD2 C 13 25.487 0.30 . 2 . 399 . A 37 LEU CD2 . 18013 1 478 . 1 1 37 37 LEU N N 15 124.886 0.30 . 1 . 407 . A 37 LEU N . 18013 1 479 . 1 1 38 38 LEU H H 1 8.427 0.02 . 1 . 413 . A 38 LEU H . 18013 1 480 . 1 1 38 38 LEU HA H 1 4.207 0.02 . 1 . 414 . A 38 LEU HA . 18013 1 481 . 1 1 38 38 LEU HB2 H 1 2.237 0.02 . 2 . 415 . A 38 LEU HB2 . 18013 1 482 . 1 1 38 38 LEU HB3 H 1 1.976 0.02 . 2 . 416 . A 38 LEU HB3 . 18013 1 483 . 1 1 38 38 LEU HG H 1 1.116 0.02 . 1 . 417 . A 38 LEU HG . 18013 1 484 . 1 1 38 38 LEU HD11 H 1 1.120 0.02 . 1 . 418 . A 38 LEU HD11 . 18013 1 485 . 1 1 38 38 LEU HD12 H 1 1.120 0.02 . 1 . 418 . A 38 LEU HD12 . 18013 1 486 . 1 1 38 38 LEU HD13 H 1 1.120 0.02 . 1 . 418 . A 38 LEU HD13 . 18013 1 487 . 1 1 38 38 LEU HD21 H 1 1.120 0.02 . 1 . 1604 . A 38 LEU HD21 . 18013 1 488 . 1 1 38 38 LEU HD22 H 1 1.120 0.02 . 1 . 1604 . A 38 LEU HD22 . 18013 1 489 . 1 1 38 38 LEU HD23 H 1 1.120 0.02 . 1 . 1604 . A 38 LEU HD23 . 18013 1 490 . 1 1 38 38 LEU C C 13 174.912 0.30 . 1 . 408 . A 38 LEU C . 18013 1 491 . 1 1 38 38 LEU CA C 13 57.024 0.30 . 1 . 409 . A 38 LEU CA . 18013 1 492 . 1 1 38 38 LEU CB C 13 40.696 0.30 . 1 . 410 . A 38 LEU CB . 18013 1 493 . 1 1 38 38 LEU CG C 13 27.069 0.30 . 1 . 411 . A 38 LEU CG . 18013 1 494 . 1 1 38 38 LEU CD1 C 13 24.180 0.30 . 1 . 412 . A 38 LEU CD1 . 18013 1 495 . 1 1 38 38 LEU CD2 C 13 24.180 0.30 . 1 . 1603 . A 38 LEU CD2 . 18013 1 496 . 1 1 38 38 LEU N N 15 112.478 0.30 . 1 . 419 . A 38 LEU N . 18013 1 497 . 1 1 39 39 VAL H H 1 7.051 0.02 . 1 . 425 . A 39 VAL H . 18013 1 498 . 1 1 39 39 VAL HA H 1 5.233 0.02 . 1 . 426 . A 39 VAL HA . 18013 1 499 . 1 1 39 39 VAL HB H 1 1.911 0.02 . 1 . 427 . A 39 VAL HB . 18013 1 500 . 1 1 39 39 VAL HG11 H 1 0.947 0.02 . 2 . 428 . A 39 VAL HG11 . 18013 1 501 . 1 1 39 39 VAL HG12 H 1 0.947 0.02 . 2 . 428 . A 39 VAL HG12 . 18013 1 502 . 1 1 39 39 VAL HG13 H 1 0.947 0.02 . 2 . 428 . A 39 VAL HG13 . 18013 1 503 . 1 1 39 39 VAL HG21 H 1 0.862 0.02 . 2 . 429 . A 39 VAL HG21 . 18013 1 504 . 1 1 39 39 VAL HG22 H 1 0.862 0.02 . 2 . 429 . A 39 VAL HG22 . 18013 1 505 . 1 1 39 39 VAL HG23 H 1 0.862 0.02 . 2 . 429 . A 39 VAL HG23 . 18013 1 506 . 1 1 39 39 VAL C C 13 174.471 0.30 . 1 . 420 . A 39 VAL C . 18013 1 507 . 1 1 39 39 VAL CA C 13 59.038 0.30 . 1 . 421 . A 39 VAL CA . 18013 1 508 . 1 1 39 39 VAL CB C 13 35.158 0.30 . 1 . 422 . A 39 VAL CB . 18013 1 509 . 1 1 39 39 VAL CG1 C 13 22.940 0.30 . 2 . 423 . A 39 VAL CG1 . 18013 1 510 . 1 1 39 39 VAL CG2 C 13 20.163 0.30 . 2 . 424 . A 39 VAL CG2 . 18013 1 511 . 1 1 39 39 VAL N N 15 109.163 0.30 . 1 . 430 . A 39 VAL N . 18013 1 512 . 1 1 40 40 ASP H H 1 8.909 0.02 . 1 . 434 . A 40 ASP H . 18013 1 513 . 1 1 40 40 ASP HA H 1 5.102 0.02 . 1 . 435 . A 40 ASP HA . 18013 1 514 . 1 1 40 40 ASP HB2 H 1 2.398 0.02 . 2 . 437 . A 40 ASP HB2 . 18013 1 515 . 1 1 40 40 ASP HB3 H 1 2.579 0.02 . 2 . 436 . A 40 ASP HB3 . 18013 1 516 . 1 1 40 40 ASP C C 13 176.364 0.30 . 1 . 431 . A 40 ASP C . 18013 1 517 . 1 1 40 40 ASP CA C 13 53.329 0.30 . 1 . 432 . A 40 ASP CA . 18013 1 518 . 1 1 40 40 ASP CB C 13 43.165 0.30 . 1 . 433 . A 40 ASP CB . 18013 1 519 . 1 1 40 40 ASP N N 15 123.141 0.30 . 1 . 438 . A 40 ASP N . 18013 1 520 . 1 1 41 41 THR H H 1 8.137 0.02 . 1 . 442 . A 41 THR H . 18013 1 521 . 1 1 41 41 THR HA H 1 4.826 0.02 . 1 . 443 . A 41 THR HA . 18013 1 522 . 1 1 41 41 THR HB H 1 4.228 0.02 . 1 . 444 . A 41 THR HB . 18013 1 523 . 1 1 41 41 THR HG21 H 1 1.201 0.02 . 1 . 445 . A 41 THR HG21 . 18013 1 524 . 1 1 41 41 THR HG22 H 1 1.201 0.02 . 1 . 445 . A 41 THR HG22 . 18013 1 525 . 1 1 41 41 THR HG23 H 1 1.201 0.02 . 1 . 445 . A 41 THR HG23 . 18013 1 526 . 1 1 41 41 THR CA C 13 58.999 0.30 . 1 . 439 . A 41 THR CA . 18013 1 527 . 1 1 41 41 THR CB C 13 68.107 0.30 . 1 . 440 . A 41 THR CB . 18013 1 528 . 1 1 41 41 THR CG2 C 13 22.560 0.30 . 1 . 441 . A 41 THR CG2 . 18013 1 529 . 1 1 41 41 THR N N 15 117.323 0.30 . 1 . 446 . A 41 THR N . 18013 1 530 . 1 1 42 42 PRO HA H 1 4.463 0.02 . 1 . 451 . A 42 PRO HA . 18013 1 531 . 1 1 42 42 PRO HB2 H 1 2.284 0.02 . 2 . 453 . A 42 PRO HB2 . 18013 1 532 . 1 1 42 42 PRO HB3 H 1 2.335 0.02 . 2 . 452 . A 42 PRO HB3 . 18013 1 533 . 1 1 42 42 PRO HG2 H 1 2.195 0.02 . 1 . 1606 . A 42 PRO HG2 . 18013 1 534 . 1 1 42 42 PRO HG3 H 1 2.195 0.02 . 1 . 454 . A 42 PRO HG3 . 18013 1 535 . 1 1 42 42 PRO HD2 H 1 3.835 0.02 . 1 . 1605 . A 42 PRO HD2 . 18013 1 536 . 1 1 42 42 PRO HD3 H 1 3.835 0.02 . 1 . 455 . A 42 PRO HD3 . 18013 1 537 . 1 1 42 42 PRO CA C 13 63.196 0.30 . 1 . 447 . A 42 PRO CA . 18013 1 538 . 1 1 42 42 PRO CB C 13 32.162 0.30 . 1 . 448 . A 42 PRO CB . 18013 1 539 . 1 1 42 42 PRO CG C 13 27.416 0.30 . 1 . 449 . A 42 PRO CG . 18013 1 540 . 1 1 42 42 PRO CD C 13 50.704 0.30 . 1 . 450 . A 42 PRO CD . 18013 1 541 . 1 1 43 43 GLU H H 1 8.511 0.02 . 1 . 460 . A 43 GLU H . 18013 1 542 . 1 1 43 43 GLU HA H 1 4.426 0.02 . 1 . 461 . A 43 GLU HA . 18013 1 543 . 1 1 43 43 GLU HB2 H 1 2.013 0.02 . 2 . 463 . A 43 GLU HB2 . 18013 1 544 . 1 1 43 43 GLU HB3 H 1 2.141 0.02 . 2 . 462 . A 43 GLU HB3 . 18013 1 545 . 1 1 43 43 GLU HG2 H 1 2.383 0.02 . 1 . 1607 . A 43 GLU HG2 . 18013 1 546 . 1 1 43 43 GLU HG3 H 1 2.383 0.02 . 1 . 464 . A 43 GLU HG3 . 18013 1 547 . 1 1 43 43 GLU C C 13 176.472 0.30 . 1 . 456 . A 43 GLU C . 18013 1 548 . 1 1 43 43 GLU CA C 13 56.377 0.30 . 1 . 457 . A 43 GLU CA . 18013 1 549 . 1 1 43 43 GLU CB C 13 31.043 0.30 . 1 . 458 . A 43 GLU CB . 18013 1 550 . 1 1 43 43 GLU CG C 13 36.048 0.30 . 1 . 459 . A 43 GLU CG . 18013 1 551 . 1 1 43 43 GLU N N 15 121.674 0.30 . 1 . 465 . A 43 GLU N . 18013 1 552 . 1 1 44 44 THR H H 1 8.400 0.02 . 1 . 470 . A 44 THR H . 18013 1 553 . 1 1 44 44 THR HA H 1 4.368 0.02 . 1 . 471 . A 44 THR HA . 18013 1 554 . 1 1 44 44 THR HB H 1 4.183 0.02 . 1 . 472 . A 44 THR HB . 18013 1 555 . 1 1 44 44 THR HG21 H 1 1.198 0.02 . 1 . 473 . A 44 THR HG21 . 18013 1 556 . 1 1 44 44 THR HG22 H 1 1.198 0.02 . 1 . 473 . A 44 THR HG22 . 18013 1 557 . 1 1 44 44 THR HG23 H 1 1.198 0.02 . 1 . 473 . A 44 THR HG23 . 18013 1 558 . 1 1 44 44 THR C C 13 174.776 0.30 . 1 . 466 . A 44 THR C . 18013 1 559 . 1 1 44 44 THR CA C 13 62.354 0.30 . 1 . 467 . A 44 THR CA . 18013 1 560 . 1 1 44 44 THR CB C 13 69.528 0.30 . 1 . 468 . A 44 THR CB . 18013 1 561 . 1 1 44 44 THR CG2 C 13 21.676 0.30 . 1 . 469 . A 44 THR CG2 . 18013 1 562 . 1 1 44 44 THR N N 15 113.782 0.30 . 1 . 474 . A 44 THR N . 18013 1 563 . 1 1 45 45 LYS H H 1 8.266 0.02 . 1 . 481 . A 45 LYS H . 18013 1 564 . 1 1 45 45 LYS HA H 1 4.407 0.02 . 1 . 482 . A 45 LYS HA . 18013 1 565 . 1 1 45 45 LYS HB2 H 1 1.907 0.02 . 2 . 483 . A 45 LYS HB2 . 18013 1 566 . 1 1 45 45 LYS HB3 H 1 1.815 0.02 . 2 . 484 . A 45 LYS HB3 . 18013 1 567 . 1 1 45 45 LYS HG2 H 1 1.499 0.02 . 1 . 1608 . A 45 LYS HG2 . 18013 1 568 . 1 1 45 45 LYS HG3 H 1 1.499 0.02 . 1 . 485 . A 45 LYS HG3 . 18013 1 569 . 1 1 45 45 LYS HD2 H 1 1.676 0.02 . 2 . 487 . A 45 LYS HD2 . 18013 1 570 . 1 1 45 45 LYS HD3 H 1 1.752 0.02 . 2 . 486 . A 45 LYS HD3 . 18013 1 571 . 1 1 45 45 LYS C C 13 176.159 0.30 . 1 . 475 . A 45 LYS C . 18013 1 572 . 1 1 45 45 LYS CA C 13 56.301 0.30 . 1 . 476 . A 45 LYS CA . 18013 1 573 . 1 1 45 45 LYS CB C 13 32.948 0.30 . 1 . 477 . A 45 LYS CB . 18013 1 574 . 1 1 45 45 LYS CG C 13 24.786 0.30 . 1 . 478 . A 45 LYS CG . 18013 1 575 . 1 1 45 45 LYS CD C 13 29.056 0.30 . 1 . 479 . A 45 LYS CD . 18013 1 576 . 1 1 45 45 LYS CE C 13 43.373 0.30 . 1 . 480 . A 45 LYS CE . 18013 1 577 . 1 1 45 45 LYS N N 15 122.757 0.30 . 1 . 488 . A 45 LYS N . 18013 1 578 . 1 1 46 46 HIS H H 1 8.228 0.02 . 1 . 491 . A 46 HIS H . 18013 1 579 . 1 1 46 46 HIS HA H 1 4.435 0.02 . 1 . 492 . A 46 HIS HA . 18013 1 580 . 1 1 46 46 HIS HB2 H 1 1.782 0.02 . 2 . 494 . A 46 HIS HB2 . 18013 1 581 . 1 1 46 46 HIS HB3 H 1 1.915 0.02 . 2 . 493 . A 46 HIS HB3 . 18013 1 582 . 1 1 46 46 HIS CA C 13 56.026 0.30 . 1 . 489 . A 46 HIS CA . 18013 1 583 . 1 1 46 46 HIS CB C 13 33.392 0.30 . 1 . 490 . A 46 HIS CB . 18013 1 584 . 1 1 46 46 HIS N N 15 122.430 0.30 . 1 . 495 . A 46 HIS N . 18013 1 585 . 1 1 47 47 PRO HA H 1 4.391 0.02 . 1 . 500 . A 47 PRO HA . 18013 1 586 . 1 1 47 47 PRO HB2 H 1 1.953 0.02 . 2 . 502 . A 47 PRO HB2 . 18013 1 587 . 1 1 47 47 PRO HB3 H 1 2.281 0.02 . 2 . 501 . A 47 PRO HB3 . 18013 1 588 . 1 1 47 47 PRO HG2 H 1 1.979 0.02 . 1 . 503 . A 47 PRO HG2 . 18013 1 589 . 1 1 47 47 PRO HG3 H 1 1.979 0.02 . 1 . 1609 . A 47 PRO HG3 . 18013 1 590 . 1 1 47 47 PRO HD2 H 1 3.592 0.02 . 2 . 504 . A 47 PRO HD2 . 18013 1 591 . 1 1 47 47 PRO HD3 H 1 3.402 0.02 . 2 . 505 . A 47 PRO HD3 . 18013 1 592 . 1 1 47 47 PRO CA C 13 63.892 0.30 . 1 . 496 . A 47 PRO CA . 18013 1 593 . 1 1 47 47 PRO CB C 13 32.037 0.30 . 1 . 497 . A 47 PRO CB . 18013 1 594 . 1 1 47 47 PRO CG C 13 27.244 0.30 . 1 . 498 . A 47 PRO CG . 18013 1 595 . 1 1 47 47 PRO CD C 13 50.575 0.30 . 1 . 499 . A 47 PRO CD . 18013 1 596 . 1 1 48 48 LYS H H 1 8.649 0.02 . 1 . 512 . A 48 LYS H . 18013 1 597 . 1 1 48 48 LYS HA H 1 4.417 0.02 . 1 . 513 . A 48 LYS HA . 18013 1 598 . 1 1 48 48 LYS HB2 H 1 1.892 0.02 . 1 . 1610 . A 48 LYS HB2 . 18013 1 599 . 1 1 48 48 LYS HB3 H 1 1.892 0.02 . 1 . 514 . A 48 LYS HB3 . 18013 1 600 . 1 1 48 48 LYS HG2 H 1 1.499 0.02 . 1 . 1611 . A 48 LYS HG2 . 18013 1 601 . 1 1 48 48 LYS HG3 H 1 1.499 0.02 . 1 . 515 . A 48 LYS HG3 . 18013 1 602 . 1 1 48 48 LYS C C 13 176.783 0.30 . 1 . 506 . A 48 LYS C . 18013 1 603 . 1 1 48 48 LYS CA C 13 56.710 0.30 . 1 . 507 . A 48 LYS CA . 18013 1 604 . 1 1 48 48 LYS CB C 13 33.343 0.30 . 1 . 508 . A 48 LYS CB . 18013 1 605 . 1 1 48 48 LYS CG C 13 24.786 0.30 . 1 . 509 . A 48 LYS CG . 18013 1 606 . 1 1 48 48 LYS CD C 13 29.013 0.30 . 1 . 510 . A 48 LYS CD . 18013 1 607 . 1 1 48 48 LYS CE C 13 42.209 0.30 . 1 . 511 . A 48 LYS CE . 18013 1 608 . 1 1 48 48 LYS N N 15 120.187 0.30 . 1 . 516 . A 48 LYS N . 18013 1 609 . 1 1 49 49 LYS H H 1 8.433 0.02 . 1 . 523 . A 49 LYS H . 18013 1 610 . 1 1 49 49 LYS HA H 1 4.322 0.02 . 1 . 524 . A 49 LYS HA . 18013 1 611 . 1 1 49 49 LYS HB2 H 1 1.908 0.02 . 2 . 525 . A 49 LYS HB2 . 18013 1 612 . 1 1 49 49 LYS HB3 H 1 1.705 0.02 . 2 . 526 . A 49 LYS HB3 . 18013 1 613 . 1 1 49 49 LYS HG2 H 1 1.490 0.02 . 1 . 527 . A 49 LYS HG2 . 18013 1 614 . 1 1 49 49 LYS HG3 H 1 1.490 0.02 . 1 . 1613 . A 49 LYS HG3 . 18013 1 615 . 1 1 49 49 LYS HD2 H 1 1.752 0.02 . 1 . 528 . A 49 LYS HD2 . 18013 1 616 . 1 1 49 49 LYS HD3 H 1 1.752 0.02 . 1 . 1612 . A 49 LYS HD3 . 18013 1 617 . 1 1 49 49 LYS C C 13 176.543 0.30 . 1 . 517 . A 49 LYS C . 18013 1 618 . 1 1 49 49 LYS CA C 13 56.758 0.30 . 1 . 518 . A 49 LYS CA . 18013 1 619 . 1 1 49 49 LYS CB C 13 33.024 0.30 . 1 . 519 . A 49 LYS CB . 18013 1 620 . 1 1 49 49 LYS CG C 13 24.685 0.30 . 1 . 520 . A 49 LYS CG . 18013 1 621 . 1 1 49 49 LYS CD C 13 28.994 0.30 . 1 . 521 . A 49 LYS CD . 18013 1 622 . 1 1 49 49 LYS CE C 13 42.107 0.30 . 1 . 522 . A 49 LYS CE . 18013 1 623 . 1 1 49 49 LYS N N 15 120.562 0.30 . 1 . 529 . A 49 LYS N . 18013 1 624 . 1 1 50 50 GLY H H 1 8.484 0.02 . 1 . 532 . A 50 GLY H . 18013 1 625 . 1 1 50 50 GLY HA2 H 1 3.856 0.02 . 2 . 534 . A 50 GLY HA2 . 18013 1 626 . 1 1 50 50 GLY HA3 H 1 4.203 0.02 . 2 . 533 . A 50 GLY HA3 . 18013 1 627 . 1 1 50 50 GLY C C 13 173.447 0.30 . 1 . 530 . A 50 GLY C . 18013 1 628 . 1 1 50 50 GLY CA C 13 45.611 0.30 . 1 . 531 . A 50 GLY CA . 18013 1 629 . 1 1 50 50 GLY N N 15 110.519 0.30 . 1 . 535 . A 50 GLY N . 18013 1 630 . 1 1 51 51 VAL H H 1 7.978 0.02 . 1 . 540 . A 51 VAL H . 18013 1 631 . 1 1 51 51 VAL HA H 1 4.219 0.02 . 1 . 541 . A 51 VAL HA . 18013 1 632 . 1 1 51 51 VAL HB H 1 2.184 0.02 . 1 . 542 . A 51 VAL HB . 18013 1 633 . 1 1 51 51 VAL HG11 H 1 0.982 0.02 . 2 . 543 . A 51 VAL HG11 . 18013 1 634 . 1 1 51 51 VAL HG12 H 1 0.982 0.02 . 2 . 543 . A 51 VAL HG12 . 18013 1 635 . 1 1 51 51 VAL HG13 H 1 0.982 0.02 . 2 . 543 . A 51 VAL HG13 . 18013 1 636 . 1 1 51 51 VAL HG21 H 1 0.995 0.02 . 2 . 544 . A 51 VAL HG21 . 18013 1 637 . 1 1 51 51 VAL HG22 H 1 0.995 0.02 . 2 . 544 . A 51 VAL HG22 . 18013 1 638 . 1 1 51 51 VAL HG23 H 1 0.995 0.02 . 2 . 544 . A 51 VAL HG23 . 18013 1 639 . 1 1 51 51 VAL CA C 13 62.334 0.30 . 1 . 536 . A 51 VAL CA . 18013 1 640 . 1 1 51 51 VAL CB C 13 32.642 0.30 . 1 . 537 . A 51 VAL CB . 18013 1 641 . 1 1 51 51 VAL CG1 C 13 21.249 0.30 . 2 . 538 . A 51 VAL CG1 . 18013 1 642 . 1 1 51 51 VAL CG2 C 13 20.761 0.30 . 2 . 539 . A 51 VAL CG2 . 18013 1 643 . 1 1 51 51 VAL N N 15 118.969 0.30 . 1 . 545 . A 51 VAL N . 18013 1 644 . 1 1 52 52 GLU H H 1 8.586 0.02 . 1 . 549 . A 52 GLU H . 18013 1 645 . 1 1 52 52 GLU HA H 1 4.312 0.02 . 1 . 550 . A 52 GLU HA . 18013 1 646 . 1 1 52 52 GLU HB2 H 1 2.108 0.02 . 1 . 551 . A 52 GLU HB2 . 18013 1 647 . 1 1 52 52 GLU HB3 H 1 2.108 0.02 . 1 . 1614 . A 52 GLU HB3 . 18013 1 648 . 1 1 52 52 GLU HG2 H 1 2.321 0.02 . 1 . 1615 . A 52 GLU HG2 . 18013 1 649 . 1 1 52 52 GLU HG3 H 1 2.321 0.02 . 1 . 552 . A 52 GLU HG3 . 18013 1 650 . 1 1 52 52 GLU CA C 13 56.608 0.30 . 1 . 546 . A 52 GLU CA . 18013 1 651 . 1 1 52 52 GLU CB C 13 30.119 0.30 . 1 . 547 . A 52 GLU CB . 18013 1 652 . 1 1 52 52 GLU CG C 13 36.026 0.30 . 1 . 548 . A 52 GLU CG . 18013 1 653 . 1 1 52 52 GLU N N 15 124.443 0.30 . 1 . 553 . A 52 GLU N . 18013 1 654 . 1 1 53 53 LYS HA H 1 4.036 0.02 . 1 . 559 . A 53 LYS HA . 18013 1 655 . 1 1 53 53 LYS HB2 H 1 1.591 0.02 . 2 . 560 . A 53 LYS HB2 . 18013 1 656 . 1 1 53 53 LYS HB3 H 1 1.458 0.02 . 2 . 561 . A 53 LYS HB3 . 18013 1 657 . 1 1 53 53 LYS HG2 H 1 0.914 0.02 . 2 . 563 . A 53 LYS HG2 . 18013 1 658 . 1 1 53 53 LYS HG3 H 1 0.961 0.02 . 2 . 562 . A 53 LYS HG3 . 18013 1 659 . 1 1 53 53 LYS HD2 H 1 1.521 0.02 . 1 . 564 . A 53 LYS HD2 . 18013 1 660 . 1 1 53 53 LYS HD3 H 1 1.521 0.02 . 1 . 1616 . A 53 LYS HD3 . 18013 1 661 . 1 1 53 53 LYS HE2 H 1 2.838 0.02 . 1 . 565 . A 53 LYS HE2 . 18013 1 662 . 1 1 53 53 LYS HE3 H 1 2.838 0.02 . 1 . 1617 . A 53 LYS HE3 . 18013 1 663 . 1 1 53 53 LYS CA C 13 58.086 0.30 . 1 . 554 . A 53 LYS CA . 18013 1 664 . 1 1 53 53 LYS CB C 13 32.539 0.30 . 1 . 555 . A 53 LYS CB . 18013 1 665 . 1 1 53 53 LYS CG C 13 24.333 0.30 . 1 . 556 . A 53 LYS CG . 18013 1 666 . 1 1 53 53 LYS CD C 13 29.159 0.30 . 1 . 557 . A 53 LYS CD . 18013 1 667 . 1 1 53 53 LYS CE C 13 42.008 0.30 . 1 . 558 . A 53 LYS CE . 18013 1 668 . 1 1 54 54 TYR HA H 1 4.463 0.02 . 1 . 571 . A 54 TYR HA . 18013 1 669 . 1 1 54 54 TYR HB2 H 1 3.182 0.02 . 1 . 572 . A 54 TYR HB2 . 18013 1 670 . 1 1 54 54 TYR HB3 H 1 3.182 0.02 . 1 . 1618 . A 54 TYR HB3 . 18013 1 671 . 1 1 54 54 TYR HD1 H 1 6.965 0.02 . 3 . 573 . A 54 TYR HD1 . 18013 1 672 . 1 1 54 54 TYR HD2 H 1 6.965 0.02 . 3 . 573 . A 54 TYR HD2 . 18013 1 673 . 1 1 54 54 TYR HE1 H 1 6.810 0.02 . 3 . 574 . A 54 TYR HE1 . 18013 1 674 . 1 1 54 54 TYR HE2 H 1 6.810 0.02 . 3 . 574 . A 54 TYR HE2 . 18013 1 675 . 1 1 54 54 TYR C C 13 176.377 0.30 . 1 . 566 . A 54 TYR C . 18013 1 676 . 1 1 54 54 TYR CA C 13 61.025 0.30 . 1 . 567 . A 54 TYR CA . 18013 1 677 . 1 1 54 54 TYR CB C 13 36.993 0.30 . 1 . 568 . A 54 TYR CB . 18013 1 678 . 1 1 54 54 TYR CD1 C 13 132.488 0.30 . 3 . 569 . A 54 TYR CD1 . 18013 1 679 . 1 1 54 54 TYR CD2 C 13 132.488 0.30 . 3 . 569 . A 54 TYR CD2 . 18013 1 680 . 1 1 54 54 TYR CE1 C 13 118.669 0.30 . 3 . 570 . A 54 TYR CE1 . 18013 1 681 . 1 1 54 54 TYR CE2 C 13 118.669 0.30 . 3 . 570 . A 54 TYR CE2 . 18013 1 682 . 1 1 55 55 GLY H H 1 8.707 0.02 . 1 . 576 . A 55 GLY H . 18013 1 683 . 1 1 55 55 GLY HA2 H 1 3.901 0.02 . 2 . 578 . A 55 GLY HA2 . 18013 1 684 . 1 1 55 55 GLY HA3 H 1 4.013 0.02 . 2 . 577 . A 55 GLY HA3 . 18013 1 685 . 1 1 55 55 GLY CA C 13 48.664 0.30 . 1 . 575 . A 55 GLY CA . 18013 1 686 . 1 1 55 55 GLY N N 15 109.310 0.30 . 1 . 579 . A 55 GLY N . 18013 1 687 . 1 1 56 56 PRO HA H 1 4.387 0.02 . 1 . 584 . A 56 PRO HA . 18013 1 688 . 1 1 56 56 PRO HB2 H 1 1.948 0.02 . 2 . 586 . A 56 PRO HB2 . 18013 1 689 . 1 1 56 56 PRO HB3 H 1 2.469 0.02 . 2 . 585 . A 56 PRO HB3 . 18013 1 690 . 1 1 56 56 PRO HG2 H 1 1.982 0.02 . 2 . 588 . A 56 PRO HG2 . 18013 1 691 . 1 1 56 56 PRO HG3 H 1 2.204 0.02 . 2 . 587 . A 56 PRO HG3 . 18013 1 692 . 1 1 56 56 PRO HD2 H 1 3.807 0.02 . 2 . 589 . A 56 PRO HD2 . 18013 1 693 . 1 1 56 56 PRO HD3 H 1 3.735 0.02 . 2 . 590 . A 56 PRO HD3 . 18013 1 694 . 1 1 56 56 PRO CA C 13 65.114 0.30 . 1 . 580 . A 56 PRO CA . 18013 1 695 . 1 1 56 56 PRO CB C 13 31.784 0.30 . 1 . 581 . A 56 PRO CB . 18013 1 696 . 1 1 56 56 PRO CG C 13 28.082 0.30 . 1 . 582 . A 56 PRO CG . 18013 1 697 . 1 1 56 56 PRO CD C 13 51.266 0.30 . 1 . 583 . A 56 PRO CD . 18013 1 698 . 1 1 57 57 GLU HA H 1 4.196 0.02 . 1 . 594 . A 57 GLU HA . 18013 1 699 . 1 1 57 57 GLU HB2 H 1 2.127 0.02 . 2 . 596 . A 57 GLU HB2 . 18013 1 700 . 1 1 57 57 GLU HB3 H 1 2.292 0.02 . 2 . 595 . A 57 GLU HB3 . 18013 1 701 . 1 1 57 57 GLU C C 13 179.340 0.30 . 1 . 591 . A 57 GLU C . 18013 1 702 . 1 1 57 57 GLU CA C 13 59.930 0.30 . 1 . 592 . A 57 GLU CA . 18013 1 703 . 1 1 57 57 GLU CB C 13 28.969 0.30 . 1 . 593 . A 57 GLU CB . 18013 1 704 . 1 1 58 58 ALA H H 1 8.871 0.02 . 1 . 600 . A 58 ALA H . 18013 1 705 . 1 1 58 58 ALA HA H 1 4.220 0.02 . 1 . 601 . A 58 ALA HA . 18013 1 706 . 1 1 58 58 ALA HB1 H 1 1.778 0.02 . 1 . 602 . A 58 ALA HB1 . 18013 1 707 . 1 1 58 58 ALA HB2 H 1 1.778 0.02 . 1 . 602 . A 58 ALA HB2 . 18013 1 708 . 1 1 58 58 ALA HB3 H 1 1.778 0.02 . 1 . 602 . A 58 ALA HB3 . 18013 1 709 . 1 1 58 58 ALA C C 13 178.846 0.30 . 1 . 597 . A 58 ALA C . 18013 1 710 . 1 1 58 58 ALA CA C 13 55.841 0.30 . 1 . 598 . A 58 ALA CA . 18013 1 711 . 1 1 58 58 ALA CB C 13 18.220 0.30 . 1 . 599 . A 58 ALA CB . 18013 1 712 . 1 1 58 58 ALA N N 15 124.556 0.30 . 1 . 603 . A 58 ALA N . 18013 1 713 . 1 1 59 59 SER H H 1 8.213 0.02 . 1 . 607 . A 59 SER H . 18013 1 714 . 1 1 59 59 SER HA H 1 3.785 0.02 . 1 . 608 . A 59 SER HA . 18013 1 715 . 1 1 59 59 SER HB2 H 1 4.089 0.02 . 2 . 609 . A 59 SER HB2 . 18013 1 716 . 1 1 59 59 SER HB3 H 1 4.027 0.02 . 2 . 610 . A 59 SER HB3 . 18013 1 717 . 1 1 59 59 SER C C 13 174.150 0.30 . 1 . 604 . A 59 SER C . 18013 1 718 . 1 1 59 59 SER CA C 13 61.932 0.30 . 1 . 605 . A 59 SER CA . 18013 1 719 . 1 1 59 59 SER CB C 13 62.774 0.30 . 1 . 606 . A 59 SER CB . 18013 1 720 . 1 1 59 59 SER N N 15 111.761 0.30 . 1 . 611 . A 59 SER N . 18013 1 721 . 1 1 60 60 ALA H H 1 8.210 0.02 . 1 . 615 . A 60 ALA H . 18013 1 722 . 1 1 60 60 ALA HA H 1 4.103 0.02 . 1 . 616 . A 60 ALA HA . 18013 1 723 . 1 1 60 60 ALA HB1 H 1 1.569 0.02 . 1 . 617 . A 60 ALA HB1 . 18013 1 724 . 1 1 60 60 ALA HB2 H 1 1.569 0.02 . 1 . 617 . A 60 ALA HB2 . 18013 1 725 . 1 1 60 60 ALA HB3 H 1 1.569 0.02 . 1 . 617 . A 60 ALA HB3 . 18013 1 726 . 1 1 60 60 ALA C C 13 179.191 0.30 . 1 . 612 . A 60 ALA C . 18013 1 727 . 1 1 60 60 ALA CA C 13 55.009 0.30 . 1 . 613 . A 60 ALA CA . 18013 1 728 . 1 1 60 60 ALA CB C 13 18.317 0.30 . 1 . 614 . A 60 ALA CB . 18013 1 729 . 1 1 60 60 ALA N N 15 122.832 0.30 . 1 . 618 . A 60 ALA N . 18013 1 730 . 1 1 61 61 PHE H H 1 8.295 0.02 . 1 . 624 . A 61 PHE H . 18013 1 731 . 1 1 61 61 PHE HA H 1 4.077 0.02 . 1 . 625 . A 61 PHE HA . 18013 1 732 . 1 1 61 61 PHE HB2 H 1 3.188 0.02 . 2 . 627 . A 61 PHE HB2 . 18013 1 733 . 1 1 61 61 PHE HB3 H 1 3.372 0.02 . 2 . 626 . A 61 PHE HB3 . 18013 1 734 . 1 1 61 61 PHE HD1 H 1 7.188 0.02 . 3 . 628 . A 61 PHE HD1 . 18013 1 735 . 1 1 61 61 PHE HD2 H 1 7.188 0.02 . 3 . 628 . A 61 PHE HD2 . 18013 1 736 . 1 1 61 61 PHE HE1 H 1 7.262 0.02 . 3 . 629 . A 61 PHE HE1 . 18013 1 737 . 1 1 61 61 PHE HE2 H 1 7.262 0.02 . 3 . 629 . A 61 PHE HE2 . 18013 1 738 . 1 1 61 61 PHE C C 13 178.125 0.30 . 1 . 619 . A 61 PHE C . 18013 1 739 . 1 1 61 61 PHE CA C 13 61.852 0.30 . 1 . 620 . A 61 PHE CA . 18013 1 740 . 1 1 61 61 PHE CB C 13 39.877 0.30 . 1 . 621 . A 61 PHE CB . 18013 1 741 . 1 1 61 61 PHE CD1 C 13 132.147 0.30 . 3 . 622 . A 61 PHE CD1 . 18013 1 742 . 1 1 61 61 PHE CD2 C 13 132.147 0.30 . 3 . 622 . A 61 PHE CD2 . 18013 1 743 . 1 1 61 61 PHE CE1 C 13 131.628 0.30 . 3 . 623 . A 61 PHE CE1 . 18013 1 744 . 1 1 61 61 PHE CE2 C 13 131.628 0.30 . 3 . 623 . A 61 PHE CE2 . 18013 1 745 . 1 1 61 61 PHE N N 15 121.669 0.30 . 1 . 630 . A 61 PHE N . 18013 1 746 . 1 1 62 62 THR H H 1 8.681 0.02 . 1 . 635 . A 62 THR H . 18013 1 747 . 1 1 62 62 THR HA H 1 3.599 0.02 . 1 . 636 . A 62 THR HA . 18013 1 748 . 1 1 62 62 THR HB H 1 4.171 0.02 . 1 . 637 . A 62 THR HB . 18013 1 749 . 1 1 62 62 THR HG21 H 1 1.073 0.02 . 1 . 638 . A 62 THR HG21 . 18013 1 750 . 1 1 62 62 THR HG22 H 1 1.073 0.02 . 1 . 638 . A 62 THR HG22 . 18013 1 751 . 1 1 62 62 THR HG23 H 1 1.073 0.02 . 1 . 638 . A 62 THR HG23 . 18013 1 752 . 1 1 62 62 THR C C 13 174.238 0.30 . 1 . 631 . A 62 THR C . 18013 1 753 . 1 1 62 62 THR CA C 13 67.533 0.30 . 1 . 632 . A 62 THR CA . 18013 1 754 . 1 1 62 62 THR CB C 13 68.254 0.30 . 1 . 633 . A 62 THR CB . 18013 1 755 . 1 1 62 62 THR CG2 C 13 22.014 0.30 . 1 . 634 . A 62 THR CG2 . 18013 1 756 . 1 1 62 62 THR N N 15 120.225 0.30 . 1 . 639 . A 62 THR N . 18013 1 757 . 1 1 63 63 LYS H H 1 7.858 0.02 . 1 . 646 . A 63 LYS H . 18013 1 758 . 1 1 63 63 LYS HA H 1 3.605 0.02 . 1 . 647 . A 63 LYS HA . 18013 1 759 . 1 1 63 63 LYS HB2 H 1 1.836 0.02 . 1 . 1619 . A 63 LYS HB2 . 18013 1 760 . 1 1 63 63 LYS HB3 H 1 1.836 0.02 . 1 . 648 . A 63 LYS HB3 . 18013 1 761 . 1 1 63 63 LYS HG2 H 1 1.159 0.02 . 2 . 650 . A 63 LYS HG2 . 18013 1 762 . 1 1 63 63 LYS HG3 H 1 1.299 0.02 . 2 . 649 . A 63 LYS HG3 . 18013 1 763 . 1 1 63 63 LYS HD2 H 1 1.652 0.02 . 2 . 652 . A 63 LYS HD2 . 18013 1 764 . 1 1 63 63 LYS HD3 H 1 1.732 0.02 . 2 . 651 . A 63 LYS HD3 . 18013 1 765 . 1 1 63 63 LYS HE2 H 1 2.957 0.02 . 1 . 653 . A 63 LYS HE2 . 18013 1 766 . 1 1 63 63 LYS HE3 H 1 2.957 0.02 . 1 . 1620 . A 63 LYS HE3 . 18013 1 767 . 1 1 63 63 LYS C C 13 173.665 0.30 . 1 . 640 . A 63 LYS C . 18013 1 768 . 1 1 63 63 LYS CA C 13 60.215 0.30 . 1 . 641 . A 63 LYS CA . 18013 1 769 . 1 1 63 63 LYS CB C 13 33.192 0.30 . 1 . 642 . A 63 LYS CB . 18013 1 770 . 1 1 63 63 LYS CG C 13 24.281 0.30 . 1 . 643 . A 63 LYS CG . 18013 1 771 . 1 1 63 63 LYS CD C 13 30.113 0.30 . 1 . 644 . A 63 LYS CD . 18013 1 772 . 1 1 63 63 LYS CE C 13 42.051 0.30 . 1 . 645 . A 63 LYS CE . 18013 1 773 . 1 1 63 63 LYS N N 15 119.884 0.30 . 1 . 654 . A 63 LYS N . 18013 1 774 . 1 1 64 64 LYS H H 1 7.942 0.02 . 1 . 661 . A 64 LYS H . 18013 1 775 . 1 1 64 64 LYS HA H 1 3.997 0.02 . 1 . 662 . A 64 LYS HA . 18013 1 776 . 1 1 64 64 LYS HB2 H 1 1.788 0.02 . 1 . 1621 . A 64 LYS HB2 . 18013 1 777 . 1 1 64 64 LYS HB3 H 1 1.788 0.02 . 1 . 663 . A 64 LYS HB3 . 18013 1 778 . 1 1 64 64 LYS HG2 H 1 1.367 0.02 . 2 . 665 . A 64 LYS HG2 . 18013 1 779 . 1 1 64 64 LYS HG3 H 1 1.560 0.02 . 2 . 664 . A 64 LYS HG3 . 18013 1 780 . 1 1 64 64 LYS HD2 H 1 1.635 0.02 . 2 . 667 . A 64 LYS HD2 . 18013 1 781 . 1 1 64 64 LYS HD3 H 1 1.735 0.02 . 2 . 666 . A 64 LYS HD3 . 18013 1 782 . 1 1 64 64 LYS HE2 H 1 2.923 0.02 . 2 . 669 . A 64 LYS HE2 . 18013 1 783 . 1 1 64 64 LYS HE3 H 1 3.031 0.02 . 2 . 668 . A 64 LYS HE3 . 18013 1 784 . 1 1 64 64 LYS C C 13 178.880 0.30 . 1 . 655 . A 64 LYS C . 18013 1 785 . 1 1 64 64 LYS CA C 13 59.289 0.30 . 1 . 656 . A 64 LYS CA . 18013 1 786 . 1 1 64 64 LYS CB C 13 31.934 0.30 . 1 . 657 . A 64 LYS CB . 18013 1 787 . 1 1 64 64 LYS CG C 13 24.775 0.30 . 1 . 658 . A 64 LYS CG . 18013 1 788 . 1 1 64 64 LYS CD C 13 29.115 0.30 . 1 . 659 . A 64 LYS CD . 18013 1 789 . 1 1 64 64 LYS CE C 13 42.088 0.30 . 1 . 660 . A 64 LYS CE . 18013 1 790 . 1 1 64 64 LYS N N 15 117.227 0.30 . 1 . 670 . A 64 LYS N . 18013 1 791 . 1 1 65 65 MET H H 1 7.732 0.02 . 1 . 676 . A 65 MET H . 18013 1 792 . 1 1 65 65 MET HA H 1 3.949 0.02 . 1 . 677 . A 65 MET HA . 18013 1 793 . 1 1 65 65 MET HB2 H 1 1.820 0.02 . 1 . 678 . A 65 MET HB2 . 18013 1 794 . 1 1 65 65 MET HB3 H 1 1.820 0.02 . 1 . 1622 . A 65 MET HB3 . 18013 1 795 . 1 1 65 65 MET HG2 H 1 2.493 0.02 . 2 . 679 . A 65 MET HG2 . 18013 1 796 . 1 1 65 65 MET HG3 H 1 2.174 0.02 . 2 . 680 . A 65 MET HG3 . 18013 1 797 . 1 1 65 65 MET HE1 H 1 1.980 0.02 . 1 . 681 . A 65 MET HE1 . 18013 1 798 . 1 1 65 65 MET HE2 H 1 1.980 0.02 . 1 . 681 . A 65 MET HE2 . 18013 1 799 . 1 1 65 65 MET HE3 H 1 1.980 0.02 . 1 . 681 . A 65 MET HE3 . 18013 1 800 . 1 1 65 65 MET C C 13 179.224 0.30 . 1 . 671 . A 65 MET C . 18013 1 801 . 1 1 65 65 MET CA C 13 59.703 0.30 . 1 . 672 . A 65 MET CA . 18013 1 802 . 1 1 65 65 MET CB C 13 32.393 0.30 . 1 . 673 . A 65 MET CB . 18013 1 803 . 1 1 65 65 MET CG C 13 33.043 0.30 . 1 . 674 . A 65 MET CG . 18013 1 804 . 1 1 65 65 MET CE C 13 17.855 0.30 . 1 . 675 . A 65 MET CE . 18013 1 805 . 1 1 65 65 MET N N 15 116.143 0.30 . 1 . 682 . A 65 MET N . 18013 1 806 . 1 1 66 66 VAL H H 1 8.213 0.02 . 1 . 688 . A 66 VAL H . 18013 1 807 . 1 1 66 66 VAL HA H 1 4.180 0.02 . 1 . 689 . A 66 VAL HA . 18013 1 808 . 1 1 66 66 VAL HB H 1 2.201 0.02 . 1 . 690 . A 66 VAL HB . 18013 1 809 . 1 1 66 66 VAL HG11 H 1 0.943 0.02 . 2 . 691 . A 66 VAL HG11 . 18013 1 810 . 1 1 66 66 VAL HG12 H 1 0.943 0.02 . 2 . 691 . A 66 VAL HG12 . 18013 1 811 . 1 1 66 66 VAL HG13 H 1 0.943 0.02 . 2 . 691 . A 66 VAL HG13 . 18013 1 812 . 1 1 66 66 VAL HG21 H 1 1.201 0.02 . 2 . 692 . A 66 VAL HG21 . 18013 1 813 . 1 1 66 66 VAL HG22 H 1 1.201 0.02 . 2 . 692 . A 66 VAL HG22 . 18013 1 814 . 1 1 66 66 VAL HG23 H 1 1.201 0.02 . 2 . 692 . A 66 VAL HG23 . 18013 1 815 . 1 1 66 66 VAL C C 13 177.615 0.30 . 1 . 683 . A 66 VAL C . 18013 1 816 . 1 1 66 66 VAL CA C 13 64.193 0.30 . 1 . 684 . A 66 VAL CA . 18013 1 817 . 1 1 66 66 VAL CB C 13 31.407 0.30 . 1 . 685 . A 66 VAL CB . 18013 1 818 . 1 1 66 66 VAL CG1 C 13 21.806 0.30 . 2 . 686 . A 66 VAL CG1 . 18013 1 819 . 1 1 66 66 VAL CG2 C 13 20.002 0.30 . 2 . 687 . A 66 VAL CG2 . 18013 1 820 . 1 1 66 66 VAL N N 15 107.852 0.30 . 1 . 693 . A 66 VAL N . 18013 1 821 . 1 1 67 67 GLU H H 1 8.733 0.02 . 1 . 698 . A 67 GLU H . 18013 1 822 . 1 1 67 67 GLU HA H 1 3.992 0.02 . 1 . 699 . A 67 GLU HA . 18013 1 823 . 1 1 67 67 GLU HB2 H 1 1.909 0.02 . 2 . 701 . A 67 GLU HB2 . 18013 1 824 . 1 1 67 67 GLU HB3 H 1 2.107 0.02 . 2 . 700 . A 67 GLU HB3 . 18013 1 825 . 1 1 67 67 GLU HG2 H 1 2.591 0.02 . 2 . 702 . A 67 GLU HG2 . 18013 1 826 . 1 1 67 67 GLU HG3 H 1 2.250 0.02 . 2 . 703 . A 67 GLU HG3 . 18013 1 827 . 1 1 67 67 GLU C C 13 178.043 0.30 . 1 . 694 . A 67 GLU C . 18013 1 828 . 1 1 67 67 GLU CA C 13 59.161 0.30 . 1 . 695 . A 67 GLU CA . 18013 1 829 . 1 1 67 67 GLU CB C 13 29.211 0.30 . 1 . 696 . A 67 GLU CB . 18013 1 830 . 1 1 67 67 GLU CG C 13 37.844 0.30 . 1 . 697 . A 67 GLU CG . 18013 1 831 . 1 1 67 67 GLU N N 15 120.866 0.30 . 1 . 704 . A 67 GLU N . 18013 1 832 . 1 1 68 68 ASN H H 1 7.391 0.02 . 1 . 708 . A 68 ASN H . 18013 1 833 . 1 1 68 68 ASN HA H 1 4.724 0.02 . 1 . 709 . A 68 ASN HA . 18013 1 834 . 1 1 68 68 ASN HB2 H 1 2.838 0.02 . 2 . 711 . A 68 ASN HB2 . 18013 1 835 . 1 1 68 68 ASN HB3 H 1 2.931 0.02 . 2 . 710 . A 68 ASN HB3 . 18013 1 836 . 1 1 68 68 ASN HD21 H 1 7.042 0.02 . 1 . 713 . A 68 ASN HD21 . 18013 1 837 . 1 1 68 68 ASN HD22 H 1 7.831 0.02 . 1 . 712 . A 68 ASN HD22 . 18013 1 838 . 1 1 68 68 ASN C C 13 174.582 0.30 . 1 . 705 . A 68 ASN C . 18013 1 839 . 1 1 68 68 ASN CA C 13 53.285 0.30 . 1 . 706 . A 68 ASN CA . 18013 1 840 . 1 1 68 68 ASN CB C 13 39.041 0.30 . 1 . 707 . A 68 ASN CB . 18013 1 841 . 1 1 68 68 ASN N N 15 113.484 0.30 . 1 . 714 . A 68 ASN N . 18013 1 842 . 1 1 68 68 ASN ND2 N 15 113.511 0.30 . 1 . 715 . A 68 ASN ND2 . 18013 1 843 . 1 1 69 69 ALA H H 1 6.741 0.02 . 1 . 719 . A 69 ALA H . 18013 1 844 . 1 1 69 69 ALA HA H 1 4.561 0.02 . 1 . 720 . A 69 ALA HA . 18013 1 845 . 1 1 69 69 ALA HB1 H 1 1.385 0.02 . 1 . 721 . A 69 ALA HB1 . 18013 1 846 . 1 1 69 69 ALA HB2 H 1 1.385 0.02 . 1 . 721 . A 69 ALA HB2 . 18013 1 847 . 1 1 69 69 ALA HB3 H 1 1.385 0.02 . 1 . 721 . A 69 ALA HB3 . 18013 1 848 . 1 1 69 69 ALA C C 13 177.905 0.30 . 1 . 716 . A 69 ALA C . 18013 1 849 . 1 1 69 69 ALA CA C 13 51.384 0.30 . 1 . 717 . A 69 ALA CA . 18013 1 850 . 1 1 69 69 ALA CB C 13 19.518 0.30 . 1 . 718 . A 69 ALA CB . 18013 1 851 . 1 1 69 69 ALA N N 15 121.224 0.30 . 1 . 722 . A 69 ALA N . 18013 1 852 . 1 1 70 70 LYS H H 1 10.156 0.02 . 1 . 729 . A 70 LYS H . 18013 1 853 . 1 1 70 70 LYS HA H 1 4.425 0.02 . 1 . 730 . A 70 LYS HA . 18013 1 854 . 1 1 70 70 LYS HB2 H 1 2.093 0.02 . 2 . 731 . A 70 LYS HB2 . 18013 1 855 . 1 1 70 70 LYS HB3 H 1 1.977 0.02 . 2 . 732 . A 70 LYS HB3 . 18013 1 856 . 1 1 70 70 LYS HG2 H 1 1.605 0.02 . 2 . 734 . A 70 LYS HG2 . 18013 1 857 . 1 1 70 70 LYS HG3 H 1 1.675 0.02 . 2 . 733 . A 70 LYS HG3 . 18013 1 858 . 1 1 70 70 LYS HD2 H 1 1.630 0.02 . 2 . 736 . A 70 LYS HD2 . 18013 1 859 . 1 1 70 70 LYS HD3 H 1 1.765 0.02 . 2 . 735 . A 70 LYS HD3 . 18013 1 860 . 1 1 70 70 LYS HE2 H 1 3.009 0.02 . 2 . 738 . A 70 LYS HE2 . 18013 1 861 . 1 1 70 70 LYS HE3 H 1 3.096 0.02 . 2 . 737 . A 70 LYS HE3 . 18013 1 862 . 1 1 70 70 LYS C C 13 177.885 0.30 . 1 . 723 . A 70 LYS C . 18013 1 863 . 1 1 70 70 LYS CA C 13 57.736 0.30 . 1 . 724 . A 70 LYS CA . 18013 1 864 . 1 1 70 70 LYS CB C 13 32.103 0.30 . 1 . 725 . A 70 LYS CB . 18013 1 865 . 1 1 70 70 LYS CG C 13 25.111 0.30 . 1 . 726 . A 70 LYS CG . 18013 1 866 . 1 1 70 70 LYS CD C 13 28.636 0.30 . 1 . 727 . A 70 LYS CD . 18013 1 867 . 1 1 70 70 LYS CE C 13 42.232 0.30 . 1 . 728 . A 70 LYS CE . 18013 1 868 . 1 1 70 70 LYS N N 15 125.468 0.30 . 1 . 739 . A 70 LYS N . 18013 1 869 . 1 1 71 71 LYS H H 1 8.944 0.02 . 1 . 746 . A 71 LYS H . 18013 1 870 . 1 1 71 71 LYS HA H 1 4.699 0.02 . 1 . 747 . A 71 LYS HA . 18013 1 871 . 1 1 71 71 LYS HB2 H 1 1.890 0.02 . 2 . 748 . A 71 LYS HB2 . 18013 1 872 . 1 1 71 71 LYS HB3 H 1 1.742 0.02 . 2 . 749 . A 71 LYS HB3 . 18013 1 873 . 1 1 71 71 LYS HG2 H 1 1.284 0.02 . 2 . 751 . A 71 LYS HG2 . 18013 1 874 . 1 1 71 71 LYS HG3 H 1 1.525 0.02 . 2 . 750 . A 71 LYS HG3 . 18013 1 875 . 1 1 71 71 LYS HD2 H 1 1.705 0.02 . 1 . 752 . A 71 LYS HD2 . 18013 1 876 . 1 1 71 71 LYS HD3 H 1 1.705 0.02 . 1 . 1623 . A 71 LYS HD3 . 18013 1 877 . 1 1 71 71 LYS C C 13 174.843 0.30 . 1 . 740 . A 71 LYS C . 18013 1 878 . 1 1 71 71 LYS CA C 13 55.486 0.30 . 1 . 741 . A 71 LYS CA . 18013 1 879 . 1 1 71 71 LYS CB C 13 35.422 0.30 . 1 . 742 . A 71 LYS CB . 18013 1 880 . 1 1 71 71 LYS CG C 13 24.871 0.30 . 1 . 743 . A 71 LYS CG . 18013 1 881 . 1 1 71 71 LYS CD C 13 29.211 0.30 . 1 . 744 . A 71 LYS CD . 18013 1 882 . 1 1 71 71 LYS CE C 13 41.872 0.30 . 1 . 745 . A 71 LYS CE . 18013 1 883 . 1 1 71 71 LYS N N 15 121.387 0.30 . 1 . 753 . A 71 LYS N . 18013 1 884 . 1 1 72 72 ILE H H 1 8.976 0.02 . 1 . 760 . A 72 ILE H . 18013 1 885 . 1 1 72 72 ILE HA H 1 5.313 0.02 . 1 . 761 . A 72 ILE HA . 18013 1 886 . 1 1 72 72 ILE HB H 1 1.916 0.02 . 1 . 762 . A 72 ILE HB . 18013 1 887 . 1 1 72 72 ILE HG12 H 1 1.196 0.02 . 2 . 764 . A 72 ILE HG12 . 18013 1 888 . 1 1 72 72 ILE HG13 H 1 1.513 0.02 . 2 . 763 . A 72 ILE HG13 . 18013 1 889 . 1 1 72 72 ILE HG21 H 1 0.706 0.02 . 1 . 765 . A 72 ILE HG21 . 18013 1 890 . 1 1 72 72 ILE HG22 H 1 0.706 0.02 . 1 . 765 . A 72 ILE HG22 . 18013 1 891 . 1 1 72 72 ILE HG23 H 1 0.706 0.02 . 1 . 765 . A 72 ILE HG23 . 18013 1 892 . 1 1 72 72 ILE HD11 H 1 0.921 0.02 . 1 . 766 . A 72 ILE HD11 . 18013 1 893 . 1 1 72 72 ILE HD12 H 1 0.921 0.02 . 1 . 766 . A 72 ILE HD12 . 18013 1 894 . 1 1 72 72 ILE HD13 H 1 0.921 0.02 . 1 . 766 . A 72 ILE HD13 . 18013 1 895 . 1 1 72 72 ILE C C 13 175.493 0.30 . 1 . 754 . A 72 ILE C . 18013 1 896 . 1 1 72 72 ILE CA C 13 58.582 0.30 . 1 . 755 . A 72 ILE CA . 18013 1 897 . 1 1 72 72 ILE CB C 13 38.374 0.30 . 1 . 756 . A 72 ILE CB . 18013 1 898 . 1 1 72 72 ILE CG1 C 13 28.006 0.30 . 1 . 757 . A 72 ILE CG1 . 18013 1 899 . 1 1 72 72 ILE CG2 C 13 17.634 0.30 . 1 . 758 . A 72 ILE CG2 . 18013 1 900 . 1 1 72 72 ILE CD1 C 13 12.858 0.30 . 1 . 759 . A 72 ILE CD1 . 18013 1 901 . 1 1 72 72 ILE N N 15 128.915 0.30 . 1 . 767 . A 72 ILE N . 18013 1 902 . 1 1 73 73 GLU H H 1 8.806 0.02 . 1 . 772 . A 73 GLU H . 18013 1 903 . 1 1 73 73 GLU HA H 1 5.306 0.02 . 1 . 773 . A 73 GLU HA . 18013 1 904 . 1 1 73 73 GLU HB2 H 1 1.795 0.02 . 2 . 775 . A 73 GLU HB2 . 18013 1 905 . 1 1 73 73 GLU HB3 H 1 1.869 0.02 . 2 . 774 . A 73 GLU HB3 . 18013 1 906 . 1 1 73 73 GLU HG2 H 1 2.015 0.02 . 2 . 776 . A 73 GLU HG2 . 18013 1 907 . 1 1 73 73 GLU HG3 H 1 1.943 0.02 . 2 . 777 . A 73 GLU HG3 . 18013 1 908 . 1 1 73 73 GLU C C 13 175.062 0.30 . 1 . 768 . A 73 GLU C . 18013 1 909 . 1 1 73 73 GLU CA C 13 53.777 0.30 . 1 . 769 . A 73 GLU CA . 18013 1 910 . 1 1 73 73 GLU CB C 13 36.075 0.30 . 1 . 770 . A 73 GLU CB . 18013 1 911 . 1 1 73 73 GLU CG C 13 37.679 0.30 . 1 . 771 . A 73 GLU CG . 18013 1 912 . 1 1 73 73 GLU N N 15 123.163 0.30 . 1 . 778 . A 73 GLU N . 18013 1 913 . 1 1 74 74 VAL H H 1 9.590 0.02 . 1 . 784 . A 74 VAL H . 18013 1 914 . 1 1 74 74 VAL HA H 1 4.718 0.02 . 1 . 785 . A 74 VAL HA . 18013 1 915 . 1 1 74 74 VAL HB H 1 1.361 0.02 . 1 . 786 . A 74 VAL HB . 18013 1 916 . 1 1 74 74 VAL HG11 H 1 -0.058 0.02 . 2 . 787 . A 74 VAL HG11 . 18013 1 917 . 1 1 74 74 VAL HG12 H 1 -0.058 0.02 . 2 . 787 . A 74 VAL HG12 . 18013 1 918 . 1 1 74 74 VAL HG13 H 1 -0.058 0.02 . 2 . 787 . A 74 VAL HG13 . 18013 1 919 . 1 1 74 74 VAL HG21 H 1 0.338 0.02 . 2 . 788 . A 74 VAL HG21 . 18013 1 920 . 1 1 74 74 VAL HG22 H 1 0.338 0.02 . 2 . 788 . A 74 VAL HG22 . 18013 1 921 . 1 1 74 74 VAL HG23 H 1 0.338 0.02 . 2 . 788 . A 74 VAL HG23 . 18013 1 922 . 1 1 74 74 VAL C C 13 174.391 0.30 . 1 . 779 . A 74 VAL C . 18013 1 923 . 1 1 74 74 VAL CA C 13 59.644 0.30 . 1 . 780 . A 74 VAL CA . 18013 1 924 . 1 1 74 74 VAL CB C 13 34.785 0.30 . 1 . 781 . A 74 VAL CB . 18013 1 925 . 1 1 74 74 VAL CG1 C 13 21.544 0.30 . 2 . 782 . A 74 VAL CG1 . 18013 1 926 . 1 1 74 74 VAL CG2 C 13 20.338 0.30 . 2 . 783 . A 74 VAL CG2 . 18013 1 927 . 1 1 74 74 VAL N N 15 117.264 0.30 . 1 . 789 . A 74 VAL N . 18013 1 928 . 1 1 75 75 GLU H H 1 8.882 0.02 . 1 . 794 . A 75 GLU H . 18013 1 929 . 1 1 75 75 GLU HA H 1 5.177 0.02 . 1 . 795 . A 75 GLU HA . 18013 1 930 . 1 1 75 75 GLU HB2 H 1 1.924 0.02 . 2 . 797 . A 75 GLU HB2 . 18013 1 931 . 1 1 75 75 GLU HB3 H 1 2.907 0.02 . 2 . 796 . A 75 GLU HB3 . 18013 1 932 . 1 1 75 75 GLU HG2 H 1 2.396 0.02 . 2 . 798 . A 75 GLU HG2 . 18013 1 933 . 1 1 75 75 GLU HG3 H 1 2.280 0.02 . 2 . 799 . A 75 GLU HG3 . 18013 1 934 . 1 1 75 75 GLU C C 13 175.683 0.30 . 1 . 790 . A 75 GLU C . 18013 1 935 . 1 1 75 75 GLU CA C 13 54.615 0.30 . 1 . 791 . A 75 GLU CA . 18013 1 936 . 1 1 75 75 GLU CB C 13 35.765 0.30 . 1 . 792 . A 75 GLU CB . 18013 1 937 . 1 1 75 75 GLU CG C 13 36.774 0.30 . 1 . 793 . A 75 GLU CG . 18013 1 938 . 1 1 75 75 GLU N N 15 126.484 0.30 . 1 . 800 . A 75 GLU N . 18013 1 939 . 1 1 76 76 PHE H H 1 8.904 0.02 . 1 . 806 . A 76 PHE H . 18013 1 940 . 1 1 76 76 PHE HA H 1 4.800 0.02 . 1 . 807 . A 76 PHE HA . 18013 1 941 . 1 1 76 76 PHE HB2 H 1 2.947 0.02 . 2 . 809 . A 76 PHE HB2 . 18013 1 942 . 1 1 76 76 PHE HB3 H 1 3.555 0.02 . 2 . 808 . A 76 PHE HB3 . 18013 1 943 . 1 1 76 76 PHE HD1 H 1 7.708 0.02 . 3 . 810 . A 76 PHE HD1 . 18013 1 944 . 1 1 76 76 PHE HD2 H 1 7.708 0.02 . 3 . 810 . A 76 PHE HD2 . 18013 1 945 . 1 1 76 76 PHE HE1 H 1 7.281 0.02 . 3 . 811 . A 76 PHE HE1 . 18013 1 946 . 1 1 76 76 PHE HE2 H 1 7.281 0.02 . 3 . 811 . A 76 PHE HE2 . 18013 1 947 . 1 1 76 76 PHE C C 13 175.457 0.30 . 1 . 801 . A 76 PHE C . 18013 1 948 . 1 1 76 76 PHE CA C 13 59.519 0.30 . 1 . 802 . A 76 PHE CA . 18013 1 949 . 1 1 76 76 PHE CB C 13 40.069 0.30 . 1 . 803 . A 76 PHE CB . 18013 1 950 . 1 1 76 76 PHE CD1 C 13 132.930 0.30 . 3 . 804 . A 76 PHE CD1 . 18013 1 951 . 1 1 76 76 PHE CD2 C 13 132.930 0.30 . 3 . 804 . A 76 PHE CD2 . 18013 1 952 . 1 1 76 76 PHE CE1 C 13 131.356 0.30 . 3 . 805 . A 76 PHE CE1 . 18013 1 953 . 1 1 76 76 PHE CE2 C 13 131.356 0.30 . 3 . 805 . A 76 PHE CE2 . 18013 1 954 . 1 1 76 76 PHE N N 15 126.660 0.30 . 1 . 812 . A 76 PHE N . 18013 1 955 . 1 1 77 77 ASP H H 1 9.452 0.02 . 1 . 816 . A 77 ASP H . 18013 1 956 . 1 1 77 77 ASP HA H 1 5.321 0.02 . 1 . 817 . A 77 ASP HA . 18013 1 957 . 1 1 77 77 ASP HB2 H 1 2.497 0.02 . 2 . 819 . A 77 ASP HB2 . 18013 1 958 . 1 1 77 77 ASP HB3 H 1 3.885 0.02 . 2 . 818 . A 77 ASP HB3 . 18013 1 959 . 1 1 77 77 ASP C C 13 177.183 0.30 . 1 . 813 . A 77 ASP C . 18013 1 960 . 1 1 77 77 ASP CA C 13 51.645 0.30 . 1 . 814 . A 77 ASP CA . 18013 1 961 . 1 1 77 77 ASP CB C 13 43.610 0.30 . 1 . 815 . A 77 ASP CB . 18013 1 962 . 1 1 77 77 ASP N N 15 123.426 0.30 . 1 . 820 . A 77 ASP N . 18013 1 963 . 1 1 78 78 LYS H H 1 10.569 0.02 . 1 . 827 . A 78 LYS H . 18013 1 964 . 1 1 78 78 LYS HA H 1 4.396 0.02 . 1 . 828 . A 78 LYS HA . 18013 1 965 . 1 1 78 78 LYS HB2 H 1 2.101 0.02 . 2 . 829 . A 78 LYS HB2 . 18013 1 966 . 1 1 78 78 LYS HB3 H 1 1.946 0.02 . 2 . 830 . A 78 LYS HB3 . 18013 1 967 . 1 1 78 78 LYS HG2 H 1 1.652 0.02 . 1 . 831 . A 78 LYS HG2 . 18013 1 968 . 1 1 78 78 LYS HG3 H 1 1.652 0.02 . 1 . 1626 . A 78 LYS HG3 . 18013 1 969 . 1 1 78 78 LYS HD2 H 1 1.807 0.02 . 1 . 832 . A 78 LYS HD2 . 18013 1 970 . 1 1 78 78 LYS HD3 H 1 1.807 0.02 . 1 . 1624 . A 78 LYS HD3 . 18013 1 971 . 1 1 78 78 LYS HE2 H 1 3.161 0.02 . 1 . 833 . A 78 LYS HE2 . 18013 1 972 . 1 1 78 78 LYS HE3 H 1 3.161 0.02 . 1 . 1625 . A 78 LYS HE3 . 18013 1 973 . 1 1 78 78 LYS C C 13 177.349 0.30 . 1 . 821 . A 78 LYS C . 18013 1 974 . 1 1 78 78 LYS CA C 13 57.229 0.30 . 1 . 822 . A 78 LYS CA . 18013 1 975 . 1 1 78 78 LYS CB C 13 33.329 0.30 . 1 . 823 . A 78 LYS CB . 18013 1 976 . 1 1 78 78 LYS CG C 13 24.583 0.30 . 1 . 824 . A 78 LYS CG . 18013 1 977 . 1 1 78 78 LYS CD C 13 29.283 0.30 . 1 . 825 . A 78 LYS CD . 18013 1 978 . 1 1 78 78 LYS CE C 13 42.568 0.30 . 1 . 826 . A 78 LYS CE . 18013 1 979 . 1 1 78 78 LYS N N 15 118.829 0.30 . 1 . 834 . A 78 LYS N . 18013 1 980 . 1 1 79 79 GLY H H 1 8.216 0.02 . 1 . 837 . A 79 GLY H . 18013 1 981 . 1 1 79 79 GLY HA2 H 1 3.574 0.02 . 2 . 839 . A 79 GLY HA2 . 18013 1 982 . 1 1 79 79 GLY HA3 H 1 4.391 0.02 . 2 . 838 . A 79 GLY HA3 . 18013 1 983 . 1 1 79 79 GLY C C 13 173.794 0.30 . 1 . 835 . A 79 GLY C . 18013 1 984 . 1 1 79 79 GLY CA C 13 44.804 0.30 . 1 . 836 . A 79 GLY CA . 18013 1 985 . 1 1 79 79 GLY N N 15 111.632 0.30 . 1 . 840 . A 79 GLY N . 18013 1 986 . 1 1 80 80 GLN H H 1 8.337 0.02 . 1 . 844 . A 80 GLN H . 18013 1 987 . 1 1 80 80 GLN HA H 1 4.252 0.02 . 1 . 845 . A 80 GLN HA . 18013 1 988 . 1 1 80 80 GLN HB2 H 1 1.968 0.02 . 2 . 847 . A 80 GLN HB2 . 18013 1 989 . 1 1 80 80 GLN HB3 H 1 2.139 0.02 . 2 . 846 . A 80 GLN HB3 . 18013 1 990 . 1 1 80 80 GLN HG2 H 1 2.350 0.02 . 1 . 848 . A 80 GLN HG2 . 18013 1 991 . 1 1 80 80 GLN HG3 H 1 2.350 0.02 . 1 . 1627 . A 80 GLN HG3 . 18013 1 992 . 1 1 80 80 GLN HE21 H 1 6.962 0.02 . 1 . 850 . A 80 GLN HE21 . 18013 1 993 . 1 1 80 80 GLN HE22 H 1 7.715 0.02 . 1 . 849 . A 80 GLN HE22 . 18013 1 994 . 1 1 80 80 GLN CA C 13 57.123 0.30 . 1 . 841 . A 80 GLN CA . 18013 1 995 . 1 1 80 80 GLN CB C 13 29.650 0.30 . 1 . 842 . A 80 GLN CB . 18013 1 996 . 1 1 80 80 GLN CG C 13 34.367 0.30 . 1 . 843 . A 80 GLN CG . 18013 1 997 . 1 1 80 80 GLN N N 15 122.926 0.30 . 1 . 851 . A 80 GLN N . 18013 1 998 . 1 1 80 80 GLN NE2 N 15 111.845 0.30 . 1 . 852 . A 80 GLN NE2 . 18013 1 999 . 1 1 81 81 ARG H H 1 8.713 0.02 . 1 . 858 . A 81 ARG H . 18013 1 1000 . 1 1 81 81 ARG HA H 1 4.645 0.02 . 1 . 859 . A 81 ARG HA . 18013 1 1001 . 1 1 81 81 ARG HB2 H 1 1.760 0.02 . 1 . 1628 . A 81 ARG HB2 . 18013 1 1002 . 1 1 81 81 ARG HB3 H 1 1.760 0.02 . 1 . 860 . A 81 ARG HB3 . 18013 1 1003 . 1 1 81 81 ARG HG2 H 1 1.520 0.02 . 1 . 861 . A 81 ARG HG2 . 18013 1 1004 . 1 1 81 81 ARG HG3 H 1 1.520 0.02 . 1 . 1629 . A 81 ARG HG3 . 18013 1 1005 . 1 1 81 81 ARG HD2 H 1 2.691 0.02 . 2 . 863 . A 81 ARG HD2 . 18013 1 1006 . 1 1 81 81 ARG HD3 H 1 2.938 0.02 . 2 . 862 . A 81 ARG HD3 . 18013 1 1007 . 1 1 81 81 ARG HE H 1 7.028 0.02 . 1 . 864 . A 81 ARG HE . 18013 1 1008 . 1 1 81 81 ARG C C 13 176.084 0.30 . 1 . 853 . A 81 ARG C . 18013 1 1009 . 1 1 81 81 ARG CA C 13 58.345 0.30 . 1 . 854 . A 81 ARG CA . 18013 1 1010 . 1 1 81 81 ARG CB C 13 32.240 0.30 . 1 . 855 . A 81 ARG CB . 18013 1 1011 . 1 1 81 81 ARG CG C 13 28.324 0.30 . 1 . 856 . A 81 ARG CG . 18013 1 1012 . 1 1 81 81 ARG CD C 13 43.411 0.30 . 1 . 857 . A 81 ARG CD . 18013 1 1013 . 1 1 81 81 ARG N N 15 123.309 0.30 . 1 . 865 . A 81 ARG N . 18013 1 1014 . 1 1 81 81 ARG NE N 15 84.236 0.30 . 1 . 866 . A 81 ARG NE . 18013 1 1015 . 1 1 82 82 THR H H 1 7.335 0.02 . 1 . 870 . A 82 THR H . 18013 1 1016 . 1 1 82 82 THR HA H 1 5.592 0.02 . 1 . 871 . A 82 THR HA . 18013 1 1017 . 1 1 82 82 THR HB H 1 3.928 0.02 . 1 . 872 . A 82 THR HB . 18013 1 1018 . 1 1 82 82 THR C C 13 174.910 0.30 . 1 . 867 . A 82 THR C . 18013 1 1019 . 1 1 82 82 THR CA C 13 58.166 0.30 . 1 . 868 . A 82 THR CA . 18013 1 1020 . 1 1 82 82 THR CB C 13 72.469 0.30 . 1 . 869 . A 82 THR CB . 18013 1 1021 . 1 1 82 82 THR N N 15 106.055 0.30 . 1 . 873 . A 82 THR N . 18013 1 1022 . 1 1 83 83 ASP H H 1 8.655 0.02 . 1 . 877 . A 83 ASP H . 18013 1 1023 . 1 1 83 83 ASP HA H 1 4.640 0.02 . 1 . 878 . A 83 ASP HA . 18013 1 1024 . 1 1 83 83 ASP HB2 H 1 2.618 0.02 . 2 . 880 . A 83 ASP HB2 . 18013 1 1025 . 1 1 83 83 ASP HB3 H 1 3.545 0.02 . 2 . 879 . A 83 ASP HB3 . 18013 1 1026 . 1 1 83 83 ASP C C 13 178.627 0.30 . 1 . 874 . A 83 ASP C . 18013 1 1027 . 1 1 83 83 ASP CA C 13 51.933 0.30 . 1 . 875 . A 83 ASP CA . 18013 1 1028 . 1 1 83 83 ASP CB C 13 41.885 0.30 . 1 . 876 . A 83 ASP CB . 18013 1 1029 . 1 1 83 83 ASP N N 15 120.787 0.30 . 1 . 881 . A 83 ASP N . 18013 1 1030 . 1 1 84 84 LYS H H 1 8.257 0.02 . 1 . 888 . A 84 LYS H . 18013 1 1031 . 1 1 84 84 LYS HA H 1 4.116 0.02 . 1 . 889 . A 84 LYS HA . 18013 1 1032 . 1 1 84 84 LYS HB2 H 1 1.748 0.02 . 2 . 890 . A 84 LYS HB2 . 18013 1 1033 . 1 1 84 84 LYS HB3 H 1 1.550 0.02 . 2 . 891 . A 84 LYS HB3 . 18013 1 1034 . 1 1 84 84 LYS HG2 H 1 0.634 0.02 . 2 . 893 . A 84 LYS HG2 . 18013 1 1035 . 1 1 84 84 LYS HG3 H 1 1.098 0.02 . 2 . 892 . A 84 LYS HG3 . 18013 1 1036 . 1 1 84 84 LYS HD2 H 1 1.528 0.02 . 1 . 894 . A 84 LYS HD2 . 18013 1 1037 . 1 1 84 84 LYS HD3 H 1 1.528 0.02 . 1 . 1630 . A 84 LYS HD3 . 18013 1 1038 . 1 1 84 84 LYS HE2 H 1 2.859 0.02 . 1 . 895 . A 84 LYS HE2 . 18013 1 1039 . 1 1 84 84 LYS HE3 H 1 2.859 0.02 . 1 . 1631 . A 84 LYS HE3 . 18013 1 1040 . 1 1 84 84 LYS C C 13 176.494 0.30 . 1 . 882 . A 84 LYS C . 18013 1 1041 . 1 1 84 84 LYS CA C 13 58.187 0.30 . 1 . 883 . A 84 LYS CA . 18013 1 1042 . 1 1 84 84 LYS CB C 13 31.678 0.30 . 1 . 884 . A 84 LYS CB . 18013 1 1043 . 1 1 84 84 LYS CG C 13 23.520 0.30 . 1 . 885 . A 84 LYS CG . 18013 1 1044 . 1 1 84 84 LYS CD C 13 29.206 0.30 . 1 . 886 . A 84 LYS CD . 18013 1 1045 . 1 1 84 84 LYS CE C 13 41.930 0.30 . 1 . 887 . A 84 LYS CE . 18013 1 1046 . 1 1 84 84 LYS N N 15 116.701 0.30 . 1 . 896 . A 84 LYS N . 18013 1 1047 . 1 1 85 85 TYR H H 1 7.976 0.02 . 1 . 900 . A 85 TYR H . 18013 1 1048 . 1 1 85 85 TYR HA H 1 4.656 0.02 . 1 . 901 . A 85 TYR HA . 18013 1 1049 . 1 1 85 85 TYR HB2 H 1 2.829 0.02 . 2 . 903 . A 85 TYR HB2 . 18013 1 1050 . 1 1 85 85 TYR HB3 H 1 3.438 0.02 . 2 . 902 . A 85 TYR HB3 . 18013 1 1051 . 1 1 85 85 TYR HD1 H 1 7.130 0.02 . 3 . 904 . A 85 TYR HD1 . 18013 1 1052 . 1 1 85 85 TYR HD2 H 1 7.130 0.02 . 3 . 904 . A 85 TYR HD2 . 18013 1 1053 . 1 1 85 85 TYR C C 13 176.176 0.30 . 1 . 897 . A 85 TYR C . 18013 1 1054 . 1 1 85 85 TYR CA C 13 56.990 0.30 . 1 . 898 . A 85 TYR CA . 18013 1 1055 . 1 1 85 85 TYR CB C 13 38.101 0.30 . 1 . 899 . A 85 TYR CB . 18013 1 1056 . 1 1 85 85 TYR N N 15 118.715 0.30 . 1 . 905 . A 85 TYR N . 18013 1 1057 . 1 1 86 86 GLY H H 1 8.144 0.02 . 1 . 908 . A 86 GLY H . 18013 1 1058 . 1 1 86 86 GLY HA2 H 1 3.668 0.02 . 2 . 910 . A 86 GLY HA2 . 18013 1 1059 . 1 1 86 86 GLY HA3 H 1 4.274 0.02 . 2 . 909 . A 86 GLY HA3 . 18013 1 1060 . 1 1 86 86 GLY C C 13 174.574 0.30 . 1 . 906 . A 86 GLY C . 18013 1 1061 . 1 1 86 86 GLY CA C 13 45.403 0.30 . 1 . 907 . A 86 GLY CA . 18013 1 1062 . 1 1 86 86 GLY N N 15 108.266 0.30 . 1 . 911 . A 86 GLY N . 18013 1 1063 . 1 1 87 87 ARG H H 1 8.556 0.02 . 1 . 916 . A 87 ARG H . 18013 1 1064 . 1 1 87 87 ARG HA H 1 4.464 0.02 . 1 . 917 . A 87 ARG HA . 18013 1 1065 . 1 1 87 87 ARG HB2 H 1 2.051 0.02 . 2 . 918 . A 87 ARG HB2 . 18013 1 1066 . 1 1 87 87 ARG HB3 H 1 1.365 0.02 . 2 . 919 . A 87 ARG HB3 . 18013 1 1067 . 1 1 87 87 ARG HG2 H 1 1.431 0.02 . 2 . 921 . A 87 ARG HG2 . 18013 1 1068 . 1 1 87 87 ARG HG3 H 1 1.689 0.02 . 2 . 920 . A 87 ARG HG3 . 18013 1 1069 . 1 1 87 87 ARG HD2 H 1 2.853 0.02 . 2 . 923 . A 87 ARG HD2 . 18013 1 1070 . 1 1 87 87 ARG HD3 H 1 3.385 0.02 . 2 . 922 . A 87 ARG HD3 . 18013 1 1071 . 1 1 87 87 ARG HE H 1 8.957 0.02 . 1 . 924 . A 87 ARG HE . 18013 1 1072 . 1 1 87 87 ARG CA C 13 55.764 0.30 . 1 . 912 . A 87 ARG CA . 18013 1 1073 . 1 1 87 87 ARG CB C 13 29.865 0.30 . 1 . 913 . A 87 ARG CB . 18013 1 1074 . 1 1 87 87 ARG CG C 13 27.786 0.30 . 1 . 914 . A 87 ARG CG . 18013 1 1075 . 1 1 87 87 ARG CD C 13 43.669 0.30 . 1 . 915 . A 87 ARG CD . 18013 1 1076 . 1 1 87 87 ARG N N 15 121.307 0.30 . 1 . 925 . A 87 ARG N . 18013 1 1077 . 1 1 87 87 ARG NE N 15 85.248 0.30 . 1 . 926 . A 87 ARG NE . 18013 1 1078 . 1 1 88 88 GLY H H 1 8.742 0.02 . 1 . 929 . A 88 GLY H . 18013 1 1079 . 1 1 88 88 GLY HA2 H 1 2.846 0.02 . 2 . 931 . A 88 GLY HA2 . 18013 1 1080 . 1 1 88 88 GLY HA3 H 1 4.405 0.02 . 2 . 930 . A 88 GLY HA3 . 18013 1 1081 . 1 1 88 88 GLY C C 13 171.877 0.30 . 1 . 927 . A 88 GLY C . 18013 1 1082 . 1 1 88 88 GLY CA C 13 45.183 0.30 . 1 . 928 . A 88 GLY CA . 18013 1 1083 . 1 1 88 88 GLY N N 15 108.424 0.30 . 1 . 932 . A 88 GLY N . 18013 1 1084 . 1 1 89 89 LEU H H 1 8.375 0.02 . 1 . 939 . A 89 LEU H . 18013 1 1085 . 1 1 89 89 LEU HA H 1 5.125 0.02 . 1 . 940 . A 89 LEU HA . 18013 1 1086 . 1 1 89 89 LEU HB2 H 1 1.777 0.02 . 2 . 941 . A 89 LEU HB2 . 18013 1 1087 . 1 1 89 89 LEU HB3 H 1 1.037 0.02 . 2 . 942 . A 89 LEU HB3 . 18013 1 1088 . 1 1 89 89 LEU HG H 1 0.289 0.02 . 1 . 943 . A 89 LEU HG . 18013 1 1089 . 1 1 89 89 LEU HD11 H 1 0.753 0.02 . 2 . 944 . A 89 LEU HD11 . 18013 1 1090 . 1 1 89 89 LEU HD12 H 1 0.753 0.02 . 2 . 944 . A 89 LEU HD12 . 18013 1 1091 . 1 1 89 89 LEU HD13 H 1 0.753 0.02 . 2 . 944 . A 89 LEU HD13 . 18013 1 1092 . 1 1 89 89 LEU HD21 H 1 0.762 0.02 . 2 . 945 . A 89 LEU HD21 . 18013 1 1093 . 1 1 89 89 LEU HD22 H 1 0.762 0.02 . 2 . 945 . A 89 LEU HD22 . 18013 1 1094 . 1 1 89 89 LEU HD23 H 1 0.762 0.02 . 2 . 945 . A 89 LEU HD23 . 18013 1 1095 . 1 1 89 89 LEU C C 13 174.896 0.30 . 1 . 933 . A 89 LEU C . 18013 1 1096 . 1 1 89 89 LEU CA C 13 52.929 0.30 . 1 . 934 . A 89 LEU CA . 18013 1 1097 . 1 1 89 89 LEU CB C 13 42.254 0.30 . 1 . 935 . A 89 LEU CB . 18013 1 1098 . 1 1 89 89 LEU CG C 13 25.323 0.30 . 1 . 936 . A 89 LEU CG . 18013 1 1099 . 1 1 89 89 LEU CD1 C 13 22.985 0.30 . 2 . 937 . A 89 LEU CD1 . 18013 1 1100 . 1 1 89 89 LEU CD2 C 13 22.905 0.30 . 2 . 938 . A 89 LEU CD2 . 18013 1 1101 . 1 1 89 89 LEU N N 15 125.655 0.30 . 1 . 946 . A 89 LEU N . 18013 1 1102 . 1 1 90 90 ALA H H 1 7.650 0.02 . 1 . 949 . A 90 ALA H . 18013 1 1103 . 1 1 90 90 ALA HA H 1 4.879 0.02 . 1 . 950 . A 90 ALA HA . 18013 1 1104 . 1 1 90 90 ALA HB1 H 1 0.795 0.02 . 1 . 951 . A 90 ALA HB1 . 18013 1 1105 . 1 1 90 90 ALA HB2 H 1 0.795 0.02 . 1 . 951 . A 90 ALA HB2 . 18013 1 1106 . 1 1 90 90 ALA HB3 H 1 0.795 0.02 . 1 . 951 . A 90 ALA HB3 . 18013 1 1107 . 1 1 90 90 ALA CA C 13 50.676 0.30 . 1 . 947 . A 90 ALA CA . 18013 1 1108 . 1 1 90 90 ALA CB C 13 24.088 0.30 . 1 . 948 . A 90 ALA CB . 18013 1 1109 . 1 1 90 90 ALA N N 15 120.586 0.30 . 1 . 952 . A 90 ALA N . 18013 1 1110 . 1 1 91 91 TYR H H 1 9.041 0.02 . 1 . 957 . A 91 TYR H . 18013 1 1111 . 1 1 91 91 TYR HA H 1 4.625 0.02 . 1 . 958 . A 91 TYR HA . 18013 1 1112 . 1 1 91 91 TYR HB2 H 1 2.809 0.02 . 2 . 960 . A 91 TYR HB2 . 18013 1 1113 . 1 1 91 91 TYR HB3 H 1 3.438 0.02 . 2 . 959 . A 91 TYR HB3 . 18013 1 1114 . 1 1 91 91 TYR HD1 H 1 7.135 0.02 . 3 . 961 . A 91 TYR HD1 . 18013 1 1115 . 1 1 91 91 TYR HD2 H 1 7.135 0.02 . 3 . 961 . A 91 TYR HD2 . 18013 1 1116 . 1 1 91 91 TYR HE1 H 1 6.890 0.02 . 3 . 962 . A 91 TYR HE1 . 18013 1 1117 . 1 1 91 91 TYR HE2 H 1 6.890 0.02 . 3 . 962 . A 91 TYR HE2 . 18013 1 1118 . 1 1 91 91 TYR CA C 13 57.220 0.30 . 1 . 953 . A 91 TYR CA . 18013 1 1119 . 1 1 91 91 TYR CB C 13 37.680 0.30 . 1 . 954 . A 91 TYR CB . 18013 1 1120 . 1 1 91 91 TYR CD1 C 13 133.222 0.30 . 3 . 955 . A 91 TYR CD1 . 18013 1 1121 . 1 1 91 91 TYR CD2 C 13 133.222 0.30 . 3 . 955 . A 91 TYR CD2 . 18013 1 1122 . 1 1 91 91 TYR CE1 C 13 118.412 0.30 . 3 . 956 . A 91 TYR CE1 . 18013 1 1123 . 1 1 91 91 TYR CE2 C 13 118.412 0.30 . 3 . 956 . A 91 TYR CE2 . 18013 1 1124 . 1 1 91 91 TYR N N 15 122.541 0.30 . 1 . 963 . A 91 TYR N . 18013 1 1125 . 1 1 92 92 ILE H H 1 7.964 0.02 . 1 . 969 . A 92 ILE H . 18013 1 1126 . 1 1 92 92 ILE HA H 1 4.982 0.02 . 1 . 970 . A 92 ILE HA . 18013 1 1127 . 1 1 92 92 ILE HB H 1 1.517 0.02 . 1 . 971 . A 92 ILE HB . 18013 1 1128 . 1 1 92 92 ILE HG12 H 1 1.033 0.02 . 2 . 973 . A 92 ILE HG12 . 18013 1 1129 . 1 1 92 92 ILE HG13 H 1 1.210 0.02 . 2 . 972 . A 92 ILE HG13 . 18013 1 1130 . 1 1 92 92 ILE HG21 H 1 0.703 0.02 . 1 . 974 . A 92 ILE HG21 . 18013 1 1131 . 1 1 92 92 ILE HG22 H 1 0.703 0.02 . 1 . 974 . A 92 ILE HG22 . 18013 1 1132 . 1 1 92 92 ILE HG23 H 1 0.703 0.02 . 1 . 974 . A 92 ILE HG23 . 18013 1 1133 . 1 1 92 92 ILE HD11 H 1 0.381 0.02 . 1 . 975 . A 92 ILE HD11 . 18013 1 1134 . 1 1 92 92 ILE HD12 H 1 0.381 0.02 . 1 . 975 . A 92 ILE HD12 . 18013 1 1135 . 1 1 92 92 ILE HD13 H 1 0.381 0.02 . 1 . 975 . A 92 ILE HD13 . 18013 1 1136 . 1 1 92 92 ILE CA C 13 58.673 0.30 . 1 . 964 . A 92 ILE CA . 18013 1 1137 . 1 1 92 92 ILE CB C 13 39.076 0.30 . 1 . 965 . A 92 ILE CB . 18013 1 1138 . 1 1 92 92 ILE CG1 C 13 27.514 0.30 . 1 . 966 . A 92 ILE CG1 . 18013 1 1139 . 1 1 92 92 ILE CG2 C 13 16.634 0.30 . 1 . 967 . A 92 ILE CG2 . 18013 1 1140 . 1 1 92 92 ILE CD1 C 13 12.135 0.30 . 1 . 968 . A 92 ILE CD1 . 18013 1 1141 . 1 1 92 92 ILE N N 15 122.322 0.30 . 1 . 976 . A 92 ILE N . 18013 1 1142 . 1 1 93 93 TYR H H 1 9.580 0.02 . 1 . 982 . A 93 TYR H . 18013 1 1143 . 1 1 93 93 TYR HA H 1 5.128 0.02 . 1 . 983 . A 93 TYR HA . 18013 1 1144 . 1 1 93 93 TYR HB2 H 1 2.403 0.02 . 2 . 985 . A 93 TYR HB2 . 18013 1 1145 . 1 1 93 93 TYR HB3 H 1 2.889 0.02 . 2 . 984 . A 93 TYR HB3 . 18013 1 1146 . 1 1 93 93 TYR HD1 H 1 6.684 0.02 . 3 . 986 . A 93 TYR HD1 . 18013 1 1147 . 1 1 93 93 TYR HD2 H 1 6.684 0.02 . 3 . 986 . A 93 TYR HD2 . 18013 1 1148 . 1 1 93 93 TYR HE1 H 1 6.779 0.02 . 3 . 987 . A 93 TYR HE1 . 18013 1 1149 . 1 1 93 93 TYR HE2 H 1 6.779 0.02 . 3 . 987 . A 93 TYR HE2 . 18013 1 1150 . 1 1 93 93 TYR C C 13 174.031 0.30 . 1 . 977 . A 93 TYR C . 18013 1 1151 . 1 1 93 93 TYR CA C 13 56.366 0.30 . 1 . 978 . A 93 TYR CA . 18013 1 1152 . 1 1 93 93 TYR CB C 13 41.485 0.30 . 1 . 979 . A 93 TYR CB . 18013 1 1153 . 1 1 93 93 TYR CD1 C 13 132.379 0.30 . 3 . 980 . A 93 TYR CD1 . 18013 1 1154 . 1 1 93 93 TYR CD2 C 13 132.379 0.30 . 3 . 980 . A 93 TYR CD2 . 18013 1 1155 . 1 1 93 93 TYR CE1 C 13 118.051 0.30 . 3 . 981 . A 93 TYR CE1 . 18013 1 1156 . 1 1 93 93 TYR CE2 C 13 118.051 0.30 . 3 . 981 . A 93 TYR CE2 . 18013 1 1157 . 1 1 93 93 TYR N N 15 126.246 0.30 . 1 . 988 . A 93 TYR N . 18013 1 1158 . 1 1 94 94 ALA H H 1 9.331 0.02 . 1 . 992 . A 94 ALA H . 18013 1 1159 . 1 1 94 94 ALA HA H 1 5.014 0.02 . 1 . 993 . A 94 ALA HA . 18013 1 1160 . 1 1 94 94 ALA HB1 H 1 1.189 0.02 . 1 . 994 . A 94 ALA HB1 . 18013 1 1161 . 1 1 94 94 ALA HB2 H 1 1.189 0.02 . 1 . 994 . A 94 ALA HB2 . 18013 1 1162 . 1 1 94 94 ALA HB3 H 1 1.189 0.02 . 1 . 994 . A 94 ALA HB3 . 18013 1 1163 . 1 1 94 94 ALA C C 13 175.800 0.30 . 1 . 989 . A 94 ALA C . 18013 1 1164 . 1 1 94 94 ALA CA C 13 49.864 0.30 . 1 . 990 . A 94 ALA CA . 18013 1 1165 . 1 1 94 94 ALA CB C 13 21.065 0.30 . 1 . 991 . A 94 ALA CB . 18013 1 1166 . 1 1 94 94 ALA N N 15 125.768 0.30 . 1 . 995 . A 94 ALA N . 18013 1 1167 . 1 1 95 95 ASP H H 1 9.754 0.02 . 1 . 999 . A 95 ASP H . 18013 1 1168 . 1 1 95 95 ASP HA H 1 4.454 0.02 . 1 . 1000 . A 95 ASP HA . 18013 1 1169 . 1 1 95 95 ASP HB2 H 1 2.770 0.02 . 2 . 1002 . A 95 ASP HB2 . 18013 1 1170 . 1 1 95 95 ASP HB3 H 1 2.978 0.02 . 2 . 1001 . A 95 ASP HB3 . 18013 1 1171 . 1 1 95 95 ASP C C 13 176.241 0.30 . 1 . 996 . A 95 ASP C . 18013 1 1172 . 1 1 95 95 ASP CA C 13 56.444 0.30 . 1 . 997 . A 95 ASP CA . 18013 1 1173 . 1 1 95 95 ASP CB C 13 39.527 0.30 . 1 . 998 . A 95 ASP CB . 18013 1 1174 . 1 1 95 95 ASP N N 15 127.351 0.30 . 1 . 1003 . A 95 ASP N . 18013 1 1175 . 1 1 96 96 GLY H H 1 9.375 0.02 . 1 . 1006 . A 96 GLY H . 18013 1 1176 . 1 1 96 96 GLY HA2 H 1 3.698 0.02 . 2 . 1008 . A 96 GLY HA2 . 18013 1 1177 . 1 1 96 96 GLY HA3 H 1 4.273 0.02 . 2 . 1007 . A 96 GLY HA3 . 18013 1 1178 . 1 1 96 96 GLY C C 13 173.943 0.30 . 1 . 1004 . A 96 GLY C . 18013 1 1179 . 1 1 96 96 GLY CA C 13 45.420 0.30 . 1 . 1005 . A 96 GLY CA . 18013 1 1180 . 1 1 96 96 GLY N N 15 103.093 0.30 . 1 . 1009 . A 96 GLY N . 18013 1 1181 . 1 1 97 97 LYS H H 1 7.903 0.02 . 1 . 1016 . A 97 LYS H . 18013 1 1182 . 1 1 97 97 LYS HA H 1 4.656 0.02 . 1 . 1017 . A 97 LYS HA . 18013 1 1183 . 1 1 97 97 LYS HB2 H 1 1.911 0.02 . 2 . 1018 . A 97 LYS HB2 . 18013 1 1184 . 1 1 97 97 LYS HB3 H 1 1.804 0.02 . 2 . 1019 . A 97 LYS HB3 . 18013 1 1185 . 1 1 97 97 LYS HG2 H 1 1.404 0.02 . 2 . 1021 . A 97 LYS HG2 . 18013 1 1186 . 1 1 97 97 LYS HG3 H 1 1.524 0.02 . 2 . 1020 . A 97 LYS HG3 . 18013 1 1187 . 1 1 97 97 LYS HD2 H 1 1.779 0.02 . 1 . 1022 . A 97 LYS HD2 . 18013 1 1188 . 1 1 97 97 LYS HD3 H 1 1.779 0.02 . 1 . 1632 . A 97 LYS HD3 . 18013 1 1189 . 1 1 97 97 LYS HE2 H 1 3.090 0.02 . 1 . 1023 . A 97 LYS HE2 . 18013 1 1190 . 1 1 97 97 LYS HE3 H 1 3.090 0.02 . 1 . 1633 . A 97 LYS HE3 . 18013 1 1191 . 1 1 97 97 LYS C C 13 176.030 0.30 . 1 . 1010 . A 97 LYS C . 18013 1 1192 . 1 1 97 97 LYS CA C 13 54.308 0.30 . 1 . 1011 . A 97 LYS CA . 18013 1 1193 . 1 1 97 97 LYS CB C 13 33.006 0.30 . 1 . 1012 . A 97 LYS CB . 18013 1 1194 . 1 1 97 97 LYS CG C 13 24.779 0.30 . 1 . 1013 . A 97 LYS CG . 18013 1 1195 . 1 1 97 97 LYS CD C 13 28.973 0.30 . 1 . 1014 . A 97 LYS CD . 18013 1 1196 . 1 1 97 97 LYS CE C 13 42.256 0.30 . 1 . 1015 . A 97 LYS CE . 18013 1 1197 . 1 1 97 97 LYS N N 15 121.466 0.30 . 1 . 1024 . A 97 LYS N . 18013 1 1198 . 1 1 98 98 MET H H 1 9.388 0.02 . 1 . 1030 . A 98 MET H . 18013 1 1199 . 1 1 98 98 MET HA H 1 3.904 0.02 . 1 . 1031 . A 98 MET HA . 18013 1 1200 . 1 1 98 98 MET HB2 H 1 2.049 0.02 . 1 . 1032 . A 98 MET HB2 . 18013 1 1201 . 1 1 98 98 MET HB3 H 1 2.049 0.02 . 1 . 1634 . A 98 MET HB3 . 18013 1 1202 . 1 1 98 98 MET HG2 H 1 2.150 0.02 . 2 . 1033 . A 98 MET HG2 . 18013 1 1203 . 1 1 98 98 MET HG3 H 1 1.485 0.02 . 2 . 1034 . A 98 MET HG3 . 18013 1 1204 . 1 1 98 98 MET HE1 H 1 1.449 0.02 . 1 . 1035 . A 98 MET HE1 . 18013 1 1205 . 1 1 98 98 MET HE2 H 1 1.449 0.02 . 1 . 1035 . A 98 MET HE2 . 18013 1 1206 . 1 1 98 98 MET HE3 H 1 1.449 0.02 . 1 . 1035 . A 98 MET HE3 . 18013 1 1207 . 1 1 98 98 MET C C 13 177.607 0.30 . 1 . 1025 . A 98 MET C . 18013 1 1208 . 1 1 98 98 MET CA C 13 56.169 0.30 . 1 . 1026 . A 98 MET CA . 18013 1 1209 . 1 1 98 98 MET CB C 13 34.313 0.30 . 1 . 1027 . A 98 MET CB . 18013 1 1210 . 1 1 98 98 MET CG C 13 28.774 0.30 . 1 . 1028 . A 98 MET CG . 18013 1 1211 . 1 1 98 98 MET CE C 13 14.657 0.30 . 1 . 1029 . A 98 MET CE . 18013 1 1212 . 1 1 98 98 MET N N 15 126.854 0.30 . 1 . 1036 . A 98 MET N . 18013 1 1213 . 1 1 99 99 VAL H H 1 10.155 0.02 . 1 . 1042 . A 99 VAL H . 18013 1 1214 . 1 1 99 99 VAL HA H 1 3.767 0.02 . 1 . 1043 . A 99 VAL HA . 18013 1 1215 . 1 1 99 99 VAL HB H 1 1.859 0.02 . 1 . 1044 . A 99 VAL HB . 18013 1 1216 . 1 1 99 99 VAL HG11 H 1 1.111 0.02 . 2 . 1045 . A 99 VAL HG11 . 18013 1 1217 . 1 1 99 99 VAL HG12 H 1 1.111 0.02 . 2 . 1045 . A 99 VAL HG12 . 18013 1 1218 . 1 1 99 99 VAL HG13 H 1 1.111 0.02 . 2 . 1045 . A 99 VAL HG13 . 18013 1 1219 . 1 1 99 99 VAL HG21 H 1 1.011 0.02 . 2 . 1046 . A 99 VAL HG21 . 18013 1 1220 . 1 1 99 99 VAL HG22 H 1 1.011 0.02 . 2 . 1046 . A 99 VAL HG22 . 18013 1 1221 . 1 1 99 99 VAL HG23 H 1 1.011 0.02 . 2 . 1046 . A 99 VAL HG23 . 18013 1 1222 . 1 1 99 99 VAL C C 13 177.330 0.30 . 1 . 1037 . A 99 VAL C . 18013 1 1223 . 1 1 99 99 VAL CA C 13 65.802 0.30 . 1 . 1038 . A 99 VAL CA . 18013 1 1224 . 1 1 99 99 VAL CB C 13 32.399 0.30 . 1 . 1039 . A 99 VAL CB . 18013 1 1225 . 1 1 99 99 VAL CG1 C 13 21.630 0.30 . 2 . 1040 . A 99 VAL CG1 . 18013 1 1226 . 1 1 99 99 VAL CG2 C 13 21.750 0.30 . 2 . 1041 . A 99 VAL CG2 . 18013 1 1227 . 1 1 99 99 VAL N N 15 135.714 0.30 . 1 . 1047 . A 99 VAL N . 18013 1 1228 . 1 1 100 100 ASN H H 1 9.728 0.02 . 1 . 1051 . A 100 ASN H . 18013 1 1229 . 1 1 100 100 ASN HA H 1 4.104 0.02 . 1 . 1052 . A 100 ASN HA . 18013 1 1230 . 1 1 100 100 ASN HB2 H 1 2.806 0.02 . 2 . 1054 . A 100 ASN HB2 . 18013 1 1231 . 1 1 100 100 ASN HB3 H 1 2.949 0.02 . 2 . 1053 . A 100 ASN HB3 . 18013 1 1232 . 1 1 100 100 ASN HD21 H 1 6.588 0.02 . 1 . 1056 . A 100 ASN HD21 . 18013 1 1233 . 1 1 100 100 ASN HD22 H 1 9.616 0.02 . 1 . 1055 . A 100 ASN HD22 . 18013 1 1234 . 1 1 100 100 ASN C C 13 174.261 0.30 . 1 . 1048 . A 100 ASN C . 18013 1 1235 . 1 1 100 100 ASN CA C 13 56.866 0.30 . 1 . 1049 . A 100 ASN CA . 18013 1 1236 . 1 1 100 100 ASN CB C 13 34.997 0.30 . 1 . 1050 . A 100 ASN CB . 18013 1 1237 . 1 1 100 100 ASN N N 15 108.650 0.30 . 1 . 1057 . A 100 ASN N . 18013 1 1238 . 1 1 100 100 ASN ND2 N 15 120.555 0.30 . 1 . 1058 . A 100 ASN ND2 . 18013 1 1239 . 1 1 101 101 GLU H H 1 6.161 0.02 . 1 . 1063 . A 101 GLU H . 18013 1 1240 . 1 1 101 101 GLU HA H 1 3.673 0.02 . 1 . 1064 . A 101 GLU HA . 18013 1 1241 . 1 1 101 101 GLU HB2 H 1 2.020 0.02 . 2 . 1066 . A 101 GLU HB2 . 18013 1 1242 . 1 1 101 101 GLU HB3 H 1 2.253 0.02 . 2 . 1065 . A 101 GLU HB3 . 18013 1 1243 . 1 1 101 101 GLU HG2 H 1 2.189 0.02 . 2 . 1067 . A 101 GLU HG2 . 18013 1 1244 . 1 1 101 101 GLU HG3 H 1 2.040 0.02 . 2 . 1068 . A 101 GLU HG3 . 18013 1 1245 . 1 1 101 101 GLU C C 13 176.245 0.30 . 1 . 1059 . A 101 GLU C . 18013 1 1246 . 1 1 101 101 GLU CA C 13 59.006 0.30 . 1 . 1060 . A 101 GLU CA . 18013 1 1247 . 1 1 101 101 GLU CB C 13 31.192 0.30 . 1 . 1061 . A 101 GLU CB . 18013 1 1248 . 1 1 101 101 GLU CG C 13 35.219 0.30 . 1 . 1062 . A 101 GLU CG . 18013 1 1249 . 1 1 101 101 GLU N N 15 113.125 0.30 . 1 . 1069 . A 101 GLU N . 18013 1 1250 . 1 1 102 102 ALA H H 1 7.894 0.02 . 1 . 1073 . A 102 ALA H . 18013 1 1251 . 1 1 102 102 ALA HA H 1 4.197 0.02 . 1 . 1074 . A 102 ALA HA . 18013 1 1252 . 1 1 102 102 ALA HB1 H 1 1.735 0.02 . 1 . 1075 . A 102 ALA HB1 . 18013 1 1253 . 1 1 102 102 ALA HB2 H 1 1.735 0.02 . 1 . 1075 . A 102 ALA HB2 . 18013 1 1254 . 1 1 102 102 ALA HB3 H 1 1.735 0.02 . 1 . 1075 . A 102 ALA HB3 . 18013 1 1255 . 1 1 102 102 ALA C C 13 179.545 0.30 . 1 . 1070 . A 102 ALA C . 18013 1 1256 . 1 1 102 102 ALA CA C 13 55.275 0.30 . 1 . 1071 . A 102 ALA CA . 18013 1 1257 . 1 1 102 102 ALA CB C 13 18.324 0.30 . 1 . 1072 . A 102 ALA CB . 18013 1 1258 . 1 1 102 102 ALA N N 15 122.433 0.30 . 1 . 1076 . A 102 ALA N . 18013 1 1259 . 1 1 103 103 LEU H H 1 8.192 0.02 . 1 . 1082 . A 103 LEU H . 18013 1 1260 . 1 1 103 103 LEU HA H 1 3.349 0.02 . 1 . 1083 . A 103 LEU HA . 18013 1 1261 . 1 1 103 103 LEU HB2 H 1 1.744 0.02 . 2 . 1084 . A 103 LEU HB2 . 18013 1 1262 . 1 1 103 103 LEU HB3 H 1 1.221 0.02 . 2 . 1085 . A 103 LEU HB3 . 18013 1 1263 . 1 1 103 103 LEU HG H 1 1.561 0.02 . 1 . 1086 . A 103 LEU HG . 18013 1 1264 . 1 1 103 103 LEU HD11 H 1 0.865 0.02 . 1 . 1087 . A 103 LEU HD11 . 18013 1 1265 . 1 1 103 103 LEU HD12 H 1 0.865 0.02 . 1 . 1087 . A 103 LEU HD12 . 18013 1 1266 . 1 1 103 103 LEU HD13 H 1 0.865 0.02 . 1 . 1087 . A 103 LEU HD13 . 18013 1 1267 . 1 1 103 103 LEU HD21 H 1 0.865 0.02 . 1 . 1636 . A 103 LEU HD21 . 18013 1 1268 . 1 1 103 103 LEU HD22 H 1 0.865 0.02 . 1 . 1636 . A 103 LEU HD22 . 18013 1 1269 . 1 1 103 103 LEU HD23 H 1 0.865 0.02 . 1 . 1636 . A 103 LEU HD23 . 18013 1 1270 . 1 1 103 103 LEU C C 13 178.733 0.30 . 1 . 1077 . A 103 LEU C . 18013 1 1271 . 1 1 103 103 LEU CA C 13 58.063 0.30 . 1 . 1078 . A 103 LEU CA . 18013 1 1272 . 1 1 103 103 LEU CB C 13 44.934 0.30 . 1 . 1079 . A 103 LEU CB . 18013 1 1273 . 1 1 103 103 LEU CG C 13 26.488 0.30 . 1 . 1080 . A 103 LEU CG . 18013 1 1274 . 1 1 103 103 LEU CD1 C 13 24.735 0.30 . 1 . 1081 . A 103 LEU CD1 . 18013 1 1275 . 1 1 103 103 LEU CD2 C 13 24.735 0.30 . 1 . 1635 . A 103 LEU CD2 . 18013 1 1276 . 1 1 103 103 LEU N N 15 116.682 0.30 . 1 . 1088 . A 103 LEU N . 18013 1 1277 . 1 1 104 104 VAL H H 1 6.893 0.02 . 1 . 1094 . A 104 VAL H . 18013 1 1278 . 1 1 104 104 VAL HA H 1 3.909 0.02 . 1 . 1095 . A 104 VAL HA . 18013 1 1279 . 1 1 104 104 VAL HB H 1 2.096 0.02 . 1 . 1096 . A 104 VAL HB . 18013 1 1280 . 1 1 104 104 VAL HG11 H 1 1.057 0.02 . 2 . 1097 . A 104 VAL HG11 . 18013 1 1281 . 1 1 104 104 VAL HG12 H 1 1.057 0.02 . 2 . 1097 . A 104 VAL HG12 . 18013 1 1282 . 1 1 104 104 VAL HG13 H 1 1.057 0.02 . 2 . 1097 . A 104 VAL HG13 . 18013 1 1283 . 1 1 104 104 VAL HG21 H 1 1.147 0.02 . 2 . 1098 . A 104 VAL HG21 . 18013 1 1284 . 1 1 104 104 VAL HG22 H 1 1.147 0.02 . 2 . 1098 . A 104 VAL HG22 . 18013 1 1285 . 1 1 104 104 VAL HG23 H 1 1.147 0.02 . 2 . 1098 . A 104 VAL HG23 . 18013 1 1286 . 1 1 104 104 VAL C C 13 180.472 0.30 . 1 . 1089 . A 104 VAL C . 18013 1 1287 . 1 1 104 104 VAL CA C 13 65.112 0.30 . 1 . 1090 . A 104 VAL CA . 18013 1 1288 . 1 1 104 104 VAL CB C 13 32.043 0.30 . 1 . 1091 . A 104 VAL CB . 18013 1 1289 . 1 1 104 104 VAL CG1 C 13 23.856 0.30 . 2 . 1092 . A 104 VAL CG1 . 18013 1 1290 . 1 1 104 104 VAL CG2 C 13 22.778 0.30 . 2 . 1093 . A 104 VAL CG2 . 18013 1 1291 . 1 1 104 104 VAL N N 15 116.622 0.30 . 1 . 1099 . A 104 VAL N . 18013 1 1292 . 1 1 105 105 ARG H H 1 9.198 0.02 . 1 . 1105 . A 105 ARG H . 18013 1 1293 . 1 1 105 105 ARG HA H 1 4.223 0.02 . 1 . 1106 . A 105 ARG HA . 18013 1 1294 . 1 1 105 105 ARG HB2 H 1 2.110 0.02 . 2 . 1107 . A 105 ARG HB2 . 18013 1 1295 . 1 1 105 105 ARG HB3 H 1 1.936 0.02 . 2 . 1108 . A 105 ARG HB3 . 18013 1 1296 . 1 1 105 105 ARG HG2 H 1 1.612 0.02 . 2 . 1110 . A 105 ARG HG2 . 18013 1 1297 . 1 1 105 105 ARG HG3 H 1 1.896 0.02 . 2 . 1109 . A 105 ARG HG3 . 18013 1 1298 . 1 1 105 105 ARG HD2 H 1 3.241 0.02 . 2 . 1112 . A 105 ARG HD2 . 18013 1 1299 . 1 1 105 105 ARG HD3 H 1 3.515 0.02 . 2 . 1111 . A 105 ARG HD3 . 18013 1 1300 . 1 1 105 105 ARG HE H 1 7.364 0.02 . 1 . 1113 . A 105 ARG HE . 18013 1 1301 . 1 1 105 105 ARG HH11 H 1 7.071 0.02 . 1 . 1114 . A 105 ARG HH11 . 18013 1 1302 . 1 1 105 105 ARG C C 13 175.960 0.30 . 1 . 1100 . A 105 ARG C . 18013 1 1303 . 1 1 105 105 ARG CA C 13 57.067 0.30 . 1 . 1101 . A 105 ARG CA . 18013 1 1304 . 1 1 105 105 ARG CB C 13 28.562 0.30 . 1 . 1102 . A 105 ARG CB . 18013 1 1305 . 1 1 105 105 ARG CG C 13 27.368 0.30 . 1 . 1103 . A 105 ARG CG . 18013 1 1306 . 1 1 105 105 ARG CD C 13 42.074 0.30 . 1 . 1104 . A 105 ARG CD . 18013 1 1307 . 1 1 105 105 ARG N N 15 122.916 0.30 . 1 . 1115 . A 105 ARG N . 18013 1 1308 . 1 1 105 105 ARG NE N 15 85.411 0.30 . 1 . 1116 . A 105 ARG NE . 18013 1 1309 . 1 1 106 106 GLN H H 1 7.259 0.02 . 1 . 1121 . A 106 GLN H . 18013 1 1310 . 1 1 106 106 GLN HA H 1 4.359 0.02 . 1 . 1122 . A 106 GLN HA . 18013 1 1311 . 1 1 106 106 GLN HB2 H 1 1.549 0.02 . 2 . 1124 . A 106 GLN HB2 . 18013 1 1312 . 1 1 106 106 GLN HB3 H 1 1.973 0.02 . 2 . 1123 . A 106 GLN HB3 . 18013 1 1313 . 1 1 106 106 GLN HG2 H 1 2.383 0.02 . 2 . 1126 . A 106 GLN HG2 . 18013 1 1314 . 1 1 106 106 GLN HG3 H 1 2.426 0.02 . 2 . 1125 . A 106 GLN HG3 . 18013 1 1315 . 1 1 106 106 GLN HE21 H 1 6.869 0.02 . 1 . 1128 . A 106 GLN HE21 . 18013 1 1316 . 1 1 106 106 GLN HE22 H 1 7.424 0.02 . 1 . 1127 . A 106 GLN HE22 . 18013 1 1317 . 1 1 106 106 GLN C C 13 175.821 0.30 . 1 . 1117 . A 106 GLN C . 18013 1 1318 . 1 1 106 106 GLN CA C 13 53.859 0.30 . 1 . 1118 . A 106 GLN CA . 18013 1 1319 . 1 1 106 106 GLN CB C 13 28.332 0.30 . 1 . 1119 . A 106 GLN CB . 18013 1 1320 . 1 1 106 106 GLN CG C 13 33.950 0.30 . 1 . 1120 . A 106 GLN CG . 18013 1 1321 . 1 1 106 106 GLN N N 15 112.792 0.30 . 1 . 1129 . A 106 GLN N . 18013 1 1322 . 1 1 106 106 GLN NE2 N 15 111.792 0.30 . 1 . 1130 . A 106 GLN NE2 . 18013 1 1323 . 1 1 107 107 GLY H H 1 8.184 0.02 . 1 . 1133 . A 107 GLY H . 18013 1 1324 . 1 1 107 107 GLY HA2 H 1 4.077 0.02 . 2 . 1135 . A 107 GLY HA2 . 18013 1 1325 . 1 1 107 107 GLY HA3 H 1 4.336 0.02 . 2 . 1134 . A 107 GLY HA3 . 18013 1 1326 . 1 1 107 107 GLY C C 13 172.693 0.30 . 1 . 1131 . A 107 GLY C . 18013 1 1327 . 1 1 107 107 GLY CA C 13 46.492 0.30 . 1 . 1132 . A 107 GLY CA . 18013 1 1328 . 1 1 107 107 GLY N N 15 107.032 0.30 . 1 . 1136 . A 107 GLY N . 18013 1 1329 . 1 1 108 108 LEU H H 1 7.750 0.02 . 1 . 1143 . A 108 LEU H . 18013 1 1330 . 1 1 108 108 LEU HA H 1 4.381 0.02 . 1 . 1144 . A 108 LEU HA . 18013 1 1331 . 1 1 108 108 LEU HB2 H 1 1.515 0.02 . 2 . 1145 . A 108 LEU HB2 . 18013 1 1332 . 1 1 108 108 LEU HB3 H 1 1.355 0.02 . 2 . 1146 . A 108 LEU HB3 . 18013 1 1333 . 1 1 108 108 LEU HG H 1 1.270 0.02 . 1 . 1147 . A 108 LEU HG . 18013 1 1334 . 1 1 108 108 LEU HD11 H 1 0.841 0.02 . 2 . 1148 . A 108 LEU HD11 . 18013 1 1335 . 1 1 108 108 LEU HD12 H 1 0.841 0.02 . 2 . 1148 . A 108 LEU HD12 . 18013 1 1336 . 1 1 108 108 LEU HD13 H 1 0.841 0.02 . 2 . 1148 . A 108 LEU HD13 . 18013 1 1337 . 1 1 108 108 LEU HD21 H 1 0.541 0.02 . 2 . 1149 . A 108 LEU HD21 . 18013 1 1338 . 1 1 108 108 LEU HD22 H 1 0.541 0.02 . 2 . 1149 . A 108 LEU HD22 . 18013 1 1339 . 1 1 108 108 LEU HD23 H 1 0.541 0.02 . 2 . 1149 . A 108 LEU HD23 . 18013 1 1340 . 1 1 108 108 LEU C C 13 173.014 0.30 . 1 . 1137 . A 108 LEU C . 18013 1 1341 . 1 1 108 108 LEU CA C 13 53.389 0.30 . 1 . 1138 . A 108 LEU CA . 18013 1 1342 . 1 1 108 108 LEU CB C 13 43.274 0.30 . 1 . 1139 . A 108 LEU CB . 18013 1 1343 . 1 1 108 108 LEU CG C 13 26.292 0.30 . 1 . 1140 . A 108 LEU CG . 18013 1 1344 . 1 1 108 108 LEU CD1 C 13 22.786 0.30 . 2 . 1141 . A 108 LEU CD1 . 18013 1 1345 . 1 1 108 108 LEU CD2 C 13 25.789 0.30 . 2 . 1142 . A 108 LEU CD2 . 18013 1 1346 . 1 1 108 108 LEU N N 15 115.000 0.30 . 1 . 1150 . A 108 LEU N . 18013 1 1347 . 1 1 109 109 ALA H H 1 7.114 0.02 . 1 . 1154 . A 109 ALA H . 18013 1 1348 . 1 1 109 109 ALA HA H 1 4.442 0.02 . 1 . 1155 . A 109 ALA HA . 18013 1 1349 . 1 1 109 109 ALA HB1 H 1 1.137 0.02 . 1 . 1156 . A 109 ALA HB1 . 18013 1 1350 . 1 1 109 109 ALA HB2 H 1 1.137 0.02 . 1 . 1156 . A 109 ALA HB2 . 18013 1 1351 . 1 1 109 109 ALA HB3 H 1 1.137 0.02 . 1 . 1156 . A 109 ALA HB3 . 18013 1 1352 . 1 1 109 109 ALA C C 13 174.879 0.30 . 1 . 1151 . A 109 ALA C . 18013 1 1353 . 1 1 109 109 ALA CA C 13 50.538 0.30 . 1 . 1152 . A 109 ALA CA . 18013 1 1354 . 1 1 109 109 ALA CB C 13 24.271 0.30 . 1 . 1153 . A 109 ALA CB . 18013 1 1355 . 1 1 109 109 ALA N N 15 113.642 0.30 . 1 . 1157 . A 109 ALA N . 18013 1 1356 . 1 1 110 110 LYS H H 1 8.187 0.02 . 1 . 1164 . A 110 LYS H . 18013 1 1357 . 1 1 110 110 LYS HA H 1 5.136 0.02 . 1 . 1165 . A 110 LYS HA . 18013 1 1358 . 1 1 110 110 LYS HB2 H 1 1.990 0.02 . 2 . 1166 . A 110 LYS HB2 . 18013 1 1359 . 1 1 110 110 LYS HB3 H 1 1.911 0.02 . 2 . 1167 . A 110 LYS HB3 . 18013 1 1360 . 1 1 110 110 LYS HG2 H 1 1.285 0.02 . 2 . 1169 . A 110 LYS HG2 . 18013 1 1361 . 1 1 110 110 LYS HG3 H 1 1.523 0.02 . 2 . 1168 . A 110 LYS HG3 . 18013 1 1362 . 1 1 110 110 LYS HD2 H 1 1.688 0.02 . 1 . 1170 . A 110 LYS HD2 . 18013 1 1363 . 1 1 110 110 LYS HD3 H 1 1.688 0.02 . 1 . 1637 . A 110 LYS HD3 . 18013 1 1364 . 1 1 110 110 LYS C C 13 175.704 0.30 . 1 . 1158 . A 110 LYS C . 18013 1 1365 . 1 1 110 110 LYS CA C 13 54.232 0.30 . 1 . 1159 . A 110 LYS CA . 18013 1 1366 . 1 1 110 110 LYS CB C 13 35.382 0.30 . 1 . 1160 . A 110 LYS CB . 18013 1 1367 . 1 1 110 110 LYS CG C 13 25.153 0.30 . 1 . 1161 . A 110 LYS CG . 18013 1 1368 . 1 1 110 110 LYS CD C 13 29.614 0.30 . 1 . 1162 . A 110 LYS CD . 18013 1 1369 . 1 1 110 110 LYS CE C 13 41.914 0.30 . 1 . 1163 . A 110 LYS CE . 18013 1 1370 . 1 1 110 110 LYS N N 15 118.413 0.30 . 1 . 1171 . A 110 LYS N . 18013 1 1371 . 1 1 111 111 VAL H H 1 9.031 0.02 . 1 . 1177 . A 111 VAL H . 18013 1 1372 . 1 1 111 111 VAL HA H 1 4.614 0.02 . 1 . 1178 . A 111 VAL HA . 18013 1 1373 . 1 1 111 111 VAL HB H 1 2.031 0.02 . 1 . 1179 . A 111 VAL HB . 18013 1 1374 . 1 1 111 111 VAL HG11 H 1 1.009 0.02 . 2 . 1180 . A 111 VAL HG11 . 18013 1 1375 . 1 1 111 111 VAL HG12 H 1 1.009 0.02 . 2 . 1180 . A 111 VAL HG12 . 18013 1 1376 . 1 1 111 111 VAL HG13 H 1 1.009 0.02 . 2 . 1180 . A 111 VAL HG13 . 18013 1 1377 . 1 1 111 111 VAL HG21 H 1 1.050 0.02 . 2 . 1181 . A 111 VAL HG21 . 18013 1 1378 . 1 1 111 111 VAL HG22 H 1 1.050 0.02 . 2 . 1181 . A 111 VAL HG22 . 18013 1 1379 . 1 1 111 111 VAL HG23 H 1 1.050 0.02 . 2 . 1181 . A 111 VAL HG23 . 18013 1 1380 . 1 1 111 111 VAL C C 13 176.573 0.30 . 1 . 1172 . A 111 VAL C . 18013 1 1381 . 1 1 111 111 VAL CA C 13 63.109 0.30 . 1 . 1173 . A 111 VAL CA . 18013 1 1382 . 1 1 111 111 VAL CB C 13 31.406 0.30 . 1 . 1174 . A 111 VAL CB . 18013 1 1383 . 1 1 111 111 VAL CG1 C 13 24.687 0.30 . 2 . 1175 . A 111 VAL CG1 . 18013 1 1384 . 1 1 111 111 VAL CG2 C 13 21.002 0.30 . 2 . 1176 . A 111 VAL CG2 . 18013 1 1385 . 1 1 111 111 VAL N N 15 122.160 0.30 . 1 . 1182 . A 111 VAL N . 18013 1 1386 . 1 1 112 112 ALA H H 1 7.809 0.02 . 1 . 1186 . A 112 ALA H . 18013 1 1387 . 1 1 112 112 ALA HA H 1 4.476 0.02 . 1 . 1187 . A 112 ALA HA . 18013 1 1388 . 1 1 112 112 ALA HB1 H 1 1.153 0.02 . 1 . 1188 . A 112 ALA HB1 . 18013 1 1389 . 1 1 112 112 ALA HB2 H 1 1.153 0.02 . 1 . 1188 . A 112 ALA HB2 . 18013 1 1390 . 1 1 112 112 ALA HB3 H 1 1.153 0.02 . 1 . 1188 . A 112 ALA HB3 . 18013 1 1391 . 1 1 112 112 ALA C C 13 175.102 0.30 . 1 . 1183 . A 112 ALA C . 18013 1 1392 . 1 1 112 112 ALA CA C 13 51.320 0.30 . 1 . 1184 . A 112 ALA CA . 18013 1 1393 . 1 1 112 112 ALA CB C 13 21.735 0.30 . 1 . 1185 . A 112 ALA CB . 18013 1 1394 . 1 1 112 112 ALA N N 15 131.550 0.30 . 1 . 1189 . A 112 ALA N . 18013 1 1395 . 1 1 113 113 TYR H H 1 8.492 0.02 . 1 . 1195 . A 113 TYR H . 18013 1 1396 . 1 1 113 113 TYR HA H 1 4.651 0.02 . 1 . 1196 . A 113 TYR HA . 18013 1 1397 . 1 1 113 113 TYR HB2 H 1 2.869 0.02 . 2 . 1198 . A 113 TYR HB2 . 18013 1 1398 . 1 1 113 113 TYR HB3 H 1 3.035 0.02 . 2 . 1197 . A 113 TYR HB3 . 18013 1 1399 . 1 1 113 113 TYR HD1 H 1 7.137 0.02 . 3 . 1199 . A 113 TYR HD1 . 18013 1 1400 . 1 1 113 113 TYR HD2 H 1 7.137 0.02 . 3 . 1199 . A 113 TYR HD2 . 18013 1 1401 . 1 1 113 113 TYR HE1 H 1 6.843 0.02 . 3 . 1200 . A 113 TYR HE1 . 18013 1 1402 . 1 1 113 113 TYR HE2 H 1 6.843 0.02 . 3 . 1200 . A 113 TYR HE2 . 18013 1 1403 . 1 1 113 113 TYR C C 13 174.863 0.30 . 1 . 1190 . A 113 TYR C . 18013 1 1404 . 1 1 113 113 TYR CA C 13 56.660 0.30 . 1 . 1191 . A 113 TYR CA . 18013 1 1405 . 1 1 113 113 TYR CB C 13 37.563 0.30 . 1 . 1192 . A 113 TYR CB . 18013 1 1406 . 1 1 113 113 TYR CD1 C 13 132.554 0.30 . 3 . 1193 . A 113 TYR CD1 . 18013 1 1407 . 1 1 113 113 TYR CD2 C 13 132.554 0.30 . 3 . 1193 . A 113 TYR CD2 . 18013 1 1408 . 1 1 113 113 TYR CE1 C 13 118.372 0.30 . 3 . 1194 . A 113 TYR CE1 . 18013 1 1409 . 1 1 113 113 TYR CE2 C 13 118.372 0.30 . 3 . 1194 . A 113 TYR CE2 . 18013 1 1410 . 1 1 113 113 TYR N N 15 121.894 0.30 . 1 . 1201 . A 113 TYR N . 18013 1 1411 . 1 1 114 114 VAL H H 1 7.800 0.02 . 1 . 1206 . A 114 VAL H . 18013 1 1412 . 1 1 114 114 VAL HA H 1 3.930 0.02 . 1 . 1207 . A 114 VAL HA . 18013 1 1413 . 1 1 114 114 VAL HB H 1 1.776 0.02 . 1 . 1208 . A 114 VAL HB . 18013 1 1414 . 1 1 114 114 VAL HG11 H 1 0.740 0.02 . 2 . 1209 . A 114 VAL HG11 . 18013 1 1415 . 1 1 114 114 VAL HG12 H 1 0.740 0.02 . 2 . 1209 . A 114 VAL HG12 . 18013 1 1416 . 1 1 114 114 VAL HG13 H 1 0.740 0.02 . 2 . 1209 . A 114 VAL HG13 . 18013 1 1417 . 1 1 114 114 VAL HG21 H 1 0.549 0.02 . 2 . 1210 . A 114 VAL HG21 . 18013 1 1418 . 1 1 114 114 VAL HG22 H 1 0.549 0.02 . 2 . 1210 . A 114 VAL HG22 . 18013 1 1419 . 1 1 114 114 VAL HG23 H 1 0.549 0.02 . 2 . 1210 . A 114 VAL HG23 . 18013 1 1420 . 1 1 114 114 VAL CA C 13 62.703 0.30 . 1 . 1202 . A 114 VAL CA . 18013 1 1421 . 1 1 114 114 VAL CB C 13 33.495 0.30 . 1 . 1203 . A 114 VAL CB . 18013 1 1422 . 1 1 114 114 VAL CG1 C 13 20.767 0.30 . 2 . 1204 . A 114 VAL CG1 . 18013 1 1423 . 1 1 114 114 VAL CG2 C 13 20.962 0.30 . 2 . 1205 . A 114 VAL CG2 . 18013 1 1424 . 1 1 114 114 VAL N N 15 123.672 0.30 . 1 . 1211 . A 114 VAL N . 18013 1 1425 . 1 1 115 115 TYR H H 1 8.378 0.02 . 1 . 1217 . A 115 TYR H . 18013 1 1426 . 1 1 115 115 TYR HA H 1 4.673 0.02 . 1 . 1218 . A 115 TYR HA . 18013 1 1427 . 1 1 115 115 TYR HB2 H 1 2.928 0.02 . 2 . 1220 . A 115 TYR HB2 . 18013 1 1428 . 1 1 115 115 TYR HB3 H 1 3.118 0.02 . 2 . 1219 . A 115 TYR HB3 . 18013 1 1429 . 1 1 115 115 TYR HD1 H 1 7.211 0.02 . 3 . 1221 . A 115 TYR HD1 . 18013 1 1430 . 1 1 115 115 TYR HD2 H 1 7.211 0.02 . 3 . 1221 . A 115 TYR HD2 . 18013 1 1431 . 1 1 115 115 TYR HE1 H 1 6.920 0.02 . 3 . 1222 . A 115 TYR HE1 . 18013 1 1432 . 1 1 115 115 TYR HE2 H 1 6.920 0.02 . 3 . 1222 . A 115 TYR HE2 . 18013 1 1433 . 1 1 115 115 TYR C C 13 175.451 0.30 . 1 . 1212 . A 115 TYR C . 18013 1 1434 . 1 1 115 115 TYR CA C 13 56.944 0.30 . 1 . 1213 . A 115 TYR CA . 18013 1 1435 . 1 1 115 115 TYR CB C 13 39.484 0.30 . 1 . 1214 . A 115 TYR CB . 18013 1 1436 . 1 1 115 115 TYR CD1 C 13 133.341 0.30 . 3 . 1215 . A 115 TYR CD1 . 18013 1 1437 . 1 1 115 115 TYR CD2 C 13 133.341 0.30 . 3 . 1215 . A 115 TYR CD2 . 18013 1 1438 . 1 1 115 115 TYR CE1 C 13 118.594 0.30 . 3 . 1216 . A 115 TYR CE1 . 18013 1 1439 . 1 1 115 115 TYR CE2 C 13 118.594 0.30 . 3 . 1216 . A 115 TYR CE2 . 18013 1 1440 . 1 1 115 115 TYR N N 15 123.223 0.30 . 1 . 1223 . A 115 TYR N . 18013 1 1441 . 1 1 116 116 LYS H H 1 8.578 0.02 . 1 . 1229 . A 116 LYS H . 18013 1 1442 . 1 1 116 116 LYS HA H 1 3.968 0.02 . 1 . 1230 . A 116 LYS HA . 18013 1 1443 . 1 1 116 116 LYS HB2 H 1 1.809 0.02 . 2 . 1231 . A 116 LYS HB2 . 18013 1 1444 . 1 1 116 116 LYS HB3 H 1 1.762 0.02 . 2 . 1232 . A 116 LYS HB3 . 18013 1 1445 . 1 1 116 116 LYS HG2 H 1 1.271 0.02 . 2 . 1234 . A 116 LYS HG2 . 18013 1 1446 . 1 1 116 116 LYS HG3 H 1 1.354 0.02 . 2 . 1233 . A 116 LYS HG3 . 18013 1 1447 . 1 1 116 116 LYS HD2 H 1 1.633 0.02 . 1 . 1235 . A 116 LYS HD2 . 18013 1 1448 . 1 1 116 116 LYS HD3 H 1 1.633 0.02 . 1 . 1638 . A 116 LYS HD3 . 18013 1 1449 . 1 1 116 116 LYS HE2 H 1 3.096 0.02 . 1 . 1639 . A 116 LYS HE2 . 18013 1 1450 . 1 1 116 116 LYS HE3 H 1 3.096 0.02 . 1 . 1236 . A 116 LYS HE3 . 18013 1 1451 . 1 1 116 116 LYS CA C 13 57.835 0.30 . 1 . 1224 . A 116 LYS CA . 18013 1 1452 . 1 1 116 116 LYS CB C 13 31.949 0.30 . 1 . 1225 . A 116 LYS CB . 18013 1 1453 . 1 1 116 116 LYS CG C 13 24.440 0.30 . 1 . 1226 . A 116 LYS CG . 18013 1 1454 . 1 1 116 116 LYS CD C 13 28.933 0.30 . 1 . 1227 . A 116 LYS CD . 18013 1 1455 . 1 1 116 116 LYS CE C 13 42.162 0.30 . 1 . 1228 . A 116 LYS CE . 18013 1 1456 . 1 1 116 116 LYS N N 15 124.234 0.30 . 1 . 1237 . A 116 LYS N . 18013 1 1457 . 1 1 117 117 GLY H H 1 8.603 0.02 . 1 . 1240 . A 117 GLY H . 18013 1 1458 . 1 1 117 117 GLY HA2 H 1 3.759 0.02 . 2 . 1242 . A 117 GLY HA2 . 18013 1 1459 . 1 1 117 117 GLY HA3 H 1 4.209 0.02 . 2 . 1241 . A 117 GLY HA3 . 18013 1 1460 . 1 1 117 117 GLY C C 13 174.002 0.30 . 1 . 1238 . A 117 GLY C . 18013 1 1461 . 1 1 117 117 GLY CA C 13 45.400 0.30 . 1 . 1239 . A 117 GLY CA . 18013 1 1462 . 1 1 117 117 GLY N N 15 110.680 0.30 . 1 . 1243 . A 117 GLY N . 18013 1 1463 . 1 1 118 118 ASN H H 1 8.020 0.02 . 1 . 1247 . A 118 ASN H . 18013 1 1464 . 1 1 118 118 ASN HA H 1 5.258 0.02 . 1 . 1248 . A 118 ASN HA . 18013 1 1465 . 1 1 118 118 ASN HB2 H 1 3.086 0.02 . 2 . 1250 . A 118 ASN HB2 . 18013 1 1466 . 1 1 118 118 ASN HB3 H 1 3.137 0.02 . 2 . 1249 . A 118 ASN HB3 . 18013 1 1467 . 1 1 118 118 ASN HD21 H 1 6.089 0.02 . 1 . 1252 . A 118 ASN HD21 . 18013 1 1468 . 1 1 118 118 ASN HD22 H 1 8.325 0.02 . 1 . 1251 . A 118 ASN HD22 . 18013 1 1469 . 1 1 118 118 ASN C C 13 174.128 0.30 . 1 . 1244 . A 118 ASN C . 18013 1 1470 . 1 1 118 118 ASN CA C 13 51.406 0.30 . 1 . 1245 . A 118 ASN CA . 18013 1 1471 . 1 1 118 118 ASN CB C 13 38.360 0.30 . 1 . 1246 . A 118 ASN CB . 18013 1 1472 . 1 1 118 118 ASN N N 15 120.803 0.30 . 1 . 1253 . A 118 ASN N . 18013 1 1473 . 1 1 118 118 ASN ND2 N 15 109.486 0.30 . 1 . 1254 . A 118 ASN ND2 . 18013 1 1474 . 1 1 119 119 ASN H H 1 7.791 0.02 . 1 . 1258 . A 119 ASN H . 18013 1 1475 . 1 1 119 119 ASN HA H 1 4.964 0.02 . 1 . 1259 . A 119 ASN HA . 18013 1 1476 . 1 1 119 119 ASN HB2 H 1 2.393 0.02 . 2 . 1261 . A 119 ASN HB2 . 18013 1 1477 . 1 1 119 119 ASN HB3 H 1 3.251 0.02 . 2 . 1260 . A 119 ASN HB3 . 18013 1 1478 . 1 1 119 119 ASN HD21 H 1 6.751 0.02 . 1 . 1263 . A 119 ASN HD21 . 18013 1 1479 . 1 1 119 119 ASN HD22 H 1 7.348 0.02 . 1 . 1262 . A 119 ASN HD22 . 18013 1 1480 . 1 1 119 119 ASN C C 13 178.301 0.30 . 1 . 1255 . A 119 ASN C . 18013 1 1481 . 1 1 119 119 ASN CA C 13 51.963 0.30 . 1 . 1256 . A 119 ASN CA . 18013 1 1482 . 1 1 119 119 ASN CB C 13 39.192 0.30 . 1 . 1257 . A 119 ASN CB . 18013 1 1483 . 1 1 119 119 ASN N N 15 116.575 0.30 . 1 . 1264 . A 119 ASN N . 18013 1 1484 . 1 1 119 119 ASN ND2 N 15 110.505 0.30 . 1 . 1265 . A 119 ASN ND2 . 18013 1 1485 . 1 1 120 120 THR H H 1 10.486 0.02 . 1 . 1270 . A 120 THR H . 18013 1 1486 . 1 1 120 120 THR HA H 1 3.881 0.02 . 1 . 1271 . A 120 THR HA . 18013 1 1487 . 1 1 120 120 THR HB H 1 3.814 0.02 . 1 . 1272 . A 120 THR HB . 18013 1 1488 . 1 1 120 120 THR HG21 H 1 0.751 0.02 . 1 . 1273 . A 120 THR HG21 . 18013 1 1489 . 1 1 120 120 THR HG22 H 1 0.751 0.02 . 1 . 1273 . A 120 THR HG22 . 18013 1 1490 . 1 1 120 120 THR HG23 H 1 0.751 0.02 . 1 . 1273 . A 120 THR HG23 . 18013 1 1491 . 1 1 120 120 THR C C 13 177.331 0.30 . 1 . 1266 . A 120 THR C . 18013 1 1492 . 1 1 120 120 THR CA C 13 69.069 0.30 . 1 . 1267 . A 120 THR CA . 18013 1 1493 . 1 1 120 120 THR CB C 13 66.798 0.30 . 1 . 1268 . A 120 THR CB . 18013 1 1494 . 1 1 120 120 THR CG2 C 13 21.394 0.30 . 1 . 1269 . A 120 THR CG2 . 18013 1 1495 . 1 1 120 120 THR N N 15 123.638 0.30 . 1 . 1274 . A 120 THR N . 18013 1 1496 . 1 1 121 121 HIS H H 1 6.954 0.02 . 1 . 1279 . A 121 HIS H . 18013 1 1497 . 1 1 121 121 HIS HA H 1 5.501 0.02 . 1 . 1280 . A 121 HIS HA . 18013 1 1498 . 1 1 121 121 HIS HB2 H 1 2.372 0.02 . 2 . 1282 . A 121 HIS HB2 . 18013 1 1499 . 1 1 121 121 HIS HB3 H 1 3.261 0.02 . 2 . 1281 . A 121 HIS HB3 . 18013 1 1500 . 1 1 121 121 HIS HD2 H 1 7.310 0.02 . 1 . 1283 . A 121 HIS HD2 . 18013 1 1501 . 1 1 121 121 HIS C C 13 174.720 0.30 . 1 . 1275 . A 121 HIS C . 18013 1 1502 . 1 1 121 121 HIS CA C 13 53.301 0.30 . 1 . 1276 . A 121 HIS CA . 18013 1 1503 . 1 1 121 121 HIS CB C 13 28.956 0.30 . 1 . 1277 . A 121 HIS CB . 18013 1 1504 . 1 1 121 121 HIS CD2 C 13 120.248 0.30 . 1 . 1278 . A 121 HIS CD2 . 18013 1 1505 . 1 1 121 121 HIS N N 15 112.406 0.30 . 1 . 1284 . A 121 HIS N . 18013 1 1506 . 1 1 121 121 HIS NE2 N 15 170.786 0.30 . 1 . 1285 . A 121 HIS NE2 . 18013 1 1507 . 1 1 122 122 GLU H H 1 7.550 0.02 . 1 . 1290 . A 122 GLU H . 18013 1 1508 . 1 1 122 122 GLU HA H 1 3.792 0.02 . 1 . 1291 . A 122 GLU HA . 18013 1 1509 . 1 1 122 122 GLU HB2 H 1 1.990 0.02 . 2 . 1293 . A 122 GLU HB2 . 18013 1 1510 . 1 1 122 122 GLU HB3 H 1 2.212 0.02 . 2 . 1292 . A 122 GLU HB3 . 18013 1 1511 . 1 1 122 122 GLU HG2 H 1 2.188 0.02 . 1 . 1294 . A 122 GLU HG2 . 18013 1 1512 . 1 1 122 122 GLU HG3 H 1 2.188 0.02 . 1 . 1640 . A 122 GLU HG3 . 18013 1 1513 . 1 1 122 122 GLU C C 13 177.526 0.30 . 1 . 1286 . A 122 GLU C . 18013 1 1514 . 1 1 122 122 GLU CA C 13 61.439 0.30 . 1 . 1287 . A 122 GLU CA . 18013 1 1515 . 1 1 122 122 GLU CB C 13 29.788 0.30 . 1 . 1288 . A 122 GLU CB . 18013 1 1516 . 1 1 122 122 GLU CG C 13 35.501 0.30 . 1 . 1289 . A 122 GLU CG . 18013 1 1517 . 1 1 122 122 GLU N N 15 120.570 0.30 . 1 . 1295 . A 122 GLU N . 18013 1 1518 . 1 1 123 123 GLN H H 1 8.932 0.02 . 1 . 1300 . A 123 GLN H . 18013 1 1519 . 1 1 123 123 GLN HA H 1 4.046 0.02 . 1 . 1301 . A 123 GLN HA . 18013 1 1520 . 1 1 123 123 GLN HB2 H 1 2.182 0.02 . 1 . 1302 . A 123 GLN HB2 . 18013 1 1521 . 1 1 123 123 GLN HB3 H 1 2.182 0.02 . 1 . 1641 . A 123 GLN HB3 . 18013 1 1522 . 1 1 123 123 GLN HG2 H 1 2.477 0.02 . 2 . 1304 . A 123 GLN HG2 . 18013 1 1523 . 1 1 123 123 GLN HG3 H 1 2.553 0.02 . 2 . 1303 . A 123 GLN HG3 . 18013 1 1524 . 1 1 123 123 GLN HE21 H 1 6.923 0.02 . 1 . 1306 . A 123 GLN HE21 . 18013 1 1525 . 1 1 123 123 GLN HE22 H 1 7.621 0.02 . 1 . 1305 . A 123 GLN HE22 . 18013 1 1526 . 1 1 123 123 GLN C C 13 178.659 0.30 . 1 . 1296 . A 123 GLN C . 18013 1 1527 . 1 1 123 123 GLN CA C 13 59.688 0.30 . 1 . 1297 . A 123 GLN CA . 18013 1 1528 . 1 1 123 123 GLN CB C 13 27.381 0.30 . 1 . 1298 . A 123 GLN CB . 18013 1 1529 . 1 1 123 123 GLN CG C 13 34.045 0.30 . 1 . 1299 . A 123 GLN CG . 18013 1 1530 . 1 1 123 123 GLN N N 15 117.758 0.30 . 1 . 1307 . A 123 GLN N . 18013 1 1531 . 1 1 123 123 GLN NE2 N 15 112.525 0.30 . 1 . 1308 . A 123 GLN NE2 . 18013 1 1532 . 1 1 124 124 LEU H H 1 7.862 0.02 . 1 . 1315 . A 124 LEU H . 18013 1 1533 . 1 1 124 124 LEU HA H 1 4.120 0.02 . 1 . 1316 . A 124 LEU HA . 18013 1 1534 . 1 1 124 124 LEU HB2 H 1 1.834 0.02 . 1 . 1317 . A 124 LEU HB2 . 18013 1 1535 . 1 1 124 124 LEU HB3 H 1 1.834 0.02 . 1 . 1642 . A 124 LEU HB3 . 18013 1 1536 . 1 1 124 124 LEU HG H 1 1.556 0.02 . 1 . 1318 . A 124 LEU HG . 18013 1 1537 . 1 1 124 124 LEU HD11 H 1 0.775 0.02 . 2 . 1319 . A 124 LEU HD11 . 18013 1 1538 . 1 1 124 124 LEU HD12 H 1 0.775 0.02 . 2 . 1319 . A 124 LEU HD12 . 18013 1 1539 . 1 1 124 124 LEU HD13 H 1 0.775 0.02 . 2 . 1319 . A 124 LEU HD13 . 18013 1 1540 . 1 1 124 124 LEU HD21 H 1 0.931 0.02 . 2 . 1320 . A 124 LEU HD21 . 18013 1 1541 . 1 1 124 124 LEU HD22 H 1 0.931 0.02 . 2 . 1320 . A 124 LEU HD22 . 18013 1 1542 . 1 1 124 124 LEU HD23 H 1 0.931 0.02 . 2 . 1320 . A 124 LEU HD23 . 18013 1 1543 . 1 1 124 124 LEU C C 13 179.882 0.30 . 1 . 1309 . A 124 LEU C . 18013 1 1544 . 1 1 124 124 LEU CA C 13 58.247 0.30 . 1 . 1310 . A 124 LEU CA . 18013 1 1545 . 1 1 124 124 LEU CB C 13 42.317 0.30 . 1 . 1311 . A 124 LEU CB . 18013 1 1546 . 1 1 124 124 LEU CG C 13 26.778 0.30 . 1 . 1312 . A 124 LEU CG . 18013 1 1547 . 1 1 124 124 LEU CD1 C 13 25.587 0.30 . 2 . 1313 . A 124 LEU CD1 . 18013 1 1548 . 1 1 124 124 LEU CD2 C 13 24.396 0.30 . 2 . 1314 . A 124 LEU CD2 . 18013 1 1549 . 1 1 124 124 LEU N N 15 121.592 0.30 . 1 . 1321 . A 124 LEU N . 18013 1 1550 . 1 1 125 125 LEU H H 1 7.940 0.02 . 1 . 1328 . A 125 LEU H . 18013 1 1551 . 1 1 125 125 LEU HA H 1 4.107 0.02 . 1 . 1329 . A 125 LEU HA . 18013 1 1552 . 1 1 125 125 LEU HB2 H 1 1.950 0.02 . 2 . 1330 . A 125 LEU HB2 . 18013 1 1553 . 1 1 125 125 LEU HB3 H 1 1.679 0.02 . 2 . 1331 . A 125 LEU HB3 . 18013 1 1554 . 1 1 125 125 LEU HG H 1 1.858 0.02 . 1 . 1332 . A 125 LEU HG . 18013 1 1555 . 1 1 125 125 LEU HD11 H 1 0.975 0.02 . 2 . 1333 . A 125 LEU HD11 . 18013 1 1556 . 1 1 125 125 LEU HD12 H 1 0.975 0.02 . 2 . 1333 . A 125 LEU HD12 . 18013 1 1557 . 1 1 125 125 LEU HD13 H 1 0.975 0.02 . 2 . 1333 . A 125 LEU HD13 . 18013 1 1558 . 1 1 125 125 LEU HD21 H 1 0.832 0.02 . 2 . 1334 . A 125 LEU HD21 . 18013 1 1559 . 1 1 125 125 LEU HD22 H 1 0.832 0.02 . 2 . 1334 . A 125 LEU HD22 . 18013 1 1560 . 1 1 125 125 LEU HD23 H 1 0.832 0.02 . 2 . 1334 . A 125 LEU HD23 . 18013 1 1561 . 1 1 125 125 LEU C C 13 178.796 0.30 . 1 . 1322 . A 125 LEU C . 18013 1 1562 . 1 1 125 125 LEU CA C 13 58.599 0.30 . 1 . 1323 . A 125 LEU CA . 18013 1 1563 . 1 1 125 125 LEU CB C 13 40.975 0.30 . 1 . 1324 . A 125 LEU CB . 18013 1 1564 . 1 1 125 125 LEU CG C 13 29.316 0.30 . 1 . 1325 . A 125 LEU CG . 18013 1 1565 . 1 1 125 125 LEU CD1 C 13 25.954 0.30 . 2 . 1326 . A 125 LEU CD1 . 18013 1 1566 . 1 1 125 125 LEU CD2 C 13 24.105 0.30 . 2 . 1327 . A 125 LEU CD2 . 18013 1 1567 . 1 1 125 125 LEU N N 15 120.617 0.30 . 1 . 1335 . A 125 LEU N . 18013 1 1568 . 1 1 126 126 ARG H H 1 9.028 0.02 . 1 . 1341 . A 126 ARG H . 18013 1 1569 . 1 1 126 126 ARG HA H 1 4.112 0.02 . 1 . 1342 . A 126 ARG HA . 18013 1 1570 . 1 1 126 126 ARG HB2 H 1 2.050 0.02 . 1 . 1643 . A 126 ARG HB2 . 18013 1 1571 . 1 1 126 126 ARG HB3 H 1 2.050 0.02 . 1 . 1343 . A 126 ARG HB3 . 18013 1 1572 . 1 1 126 126 ARG HG2 H 1 1.815 0.02 . 2 . 1345 . A 126 ARG HG2 . 18013 1 1573 . 1 1 126 126 ARG HG3 H 1 1.934 0.02 . 2 . 1344 . A 126 ARG HG3 . 18013 1 1574 . 1 1 126 126 ARG HD2 H 1 3.181 0.02 . 2 . 1347 . A 126 ARG HD2 . 18013 1 1575 . 1 1 126 126 ARG HD3 H 1 3.280 0.02 . 2 . 1346 . A 126 ARG HD3 . 18013 1 1576 . 1 1 126 126 ARG HE H 1 8.084 0.02 . 1 . 1348 . A 126 ARG HE . 18013 1 1577 . 1 1 126 126 ARG C C 13 179.839 0.30 . 1 . 1336 . A 126 ARG C . 18013 1 1578 . 1 1 126 126 ARG CA C 13 60.004 0.30 . 1 . 1337 . A 126 ARG CA . 18013 1 1579 . 1 1 126 126 ARG CB C 13 29.205 0.30 . 1 . 1338 . A 126 ARG CB . 18013 1 1580 . 1 1 126 126 ARG CG C 13 29.037 0.30 . 1 . 1339 . A 126 ARG CG . 18013 1 1581 . 1 1 126 126 ARG CD C 13 43.002 0.30 . 1 . 1340 . A 126 ARG CD . 18013 1 1582 . 1 1 126 126 ARG N N 15 119.859 0.30 . 1 . 1349 . A 126 ARG N . 18013 1 1583 . 1 1 126 126 ARG NE N 15 85.208 0.30 . 1 . 1350 . A 126 ARG NE . 18013 1 1584 . 1 1 127 127 LYS H H 1 8.191 0.02 . 1 . 1356 . A 127 LYS H . 18013 1 1585 . 1 1 127 127 LYS HA H 1 4.170 0.02 . 1 . 1357 . A 127 LYS HA . 18013 1 1586 . 1 1 127 127 LYS HB2 H 1 2.006 0.02 . 1 . 1644 . A 127 LYS HB2 . 18013 1 1587 . 1 1 127 127 LYS HB3 H 1 2.006 0.02 . 1 . 1358 . A 127 LYS HB3 . 18013 1 1588 . 1 1 127 127 LYS HG2 H 1 1.673 0.02 . 1 . 1646 . A 127 LYS HG2 . 18013 1 1589 . 1 1 127 127 LYS HG3 H 1 1.673 0.02 . 1 . 1359 . A 127 LYS HG3 . 18013 1 1590 . 1 1 127 127 LYS HD2 H 1 1.747 0.02 . 1 . 1645 . A 127 LYS HD2 . 18013 1 1591 . 1 1 127 127 LYS HD3 H 1 1.747 0.02 . 1 . 1360 . A 127 LYS HD3 . 18013 1 1592 . 1 1 127 127 LYS CA C 13 59.695 0.30 . 1 . 1351 . A 127 LYS CA . 18013 1 1593 . 1 1 127 127 LYS CB C 13 32.015 0.30 . 1 . 1352 . A 127 LYS CB . 18013 1 1594 . 1 1 127 127 LYS CG C 13 25.136 0.30 . 1 . 1353 . A 127 LYS CG . 18013 1 1595 . 1 1 127 127 LYS CD C 13 29.325 0.30 . 1 . 1354 . A 127 LYS CD . 18013 1 1596 . 1 1 127 127 LYS CE C 13 42.098 0.30 . 1 . 1355 . A 127 LYS CE . 18013 1 1597 . 1 1 127 127 LYS N N 15 122.164 0.30 . 1 . 1361 . A 127 LYS N . 18013 1 1598 . 1 1 128 128 ALA H H 1 7.439 0.02 . 1 . 1364 . A 128 ALA H . 18013 1 1599 . 1 1 128 128 ALA HA H 1 4.284 0.02 . 1 . 1365 . A 128 ALA HA . 18013 1 1600 . 1 1 128 128 ALA HB1 H 1 1.624 0.02 . 1 . 1366 . A 128 ALA HB1 . 18013 1 1601 . 1 1 128 128 ALA HB2 H 1 1.624 0.02 . 1 . 1366 . A 128 ALA HB2 . 18013 1 1602 . 1 1 128 128 ALA HB3 H 1 1.624 0.02 . 1 . 1366 . A 128 ALA HB3 . 18013 1 1603 . 1 1 128 128 ALA CA C 13 55.044 0.30 . 1 . 1362 . A 128 ALA CA . 18013 1 1604 . 1 1 128 128 ALA CB C 13 17.778 0.30 . 1 . 1363 . A 128 ALA CB . 18013 1 1605 . 1 1 128 128 ALA N N 15 123.083 0.30 . 1 . 1367 . A 128 ALA N . 18013 1 1606 . 1 1 129 129 GLU H H 1 8.414 0.02 . 1 . 1372 . A 129 GLU H . 18013 1 1607 . 1 1 129 129 GLU HA H 1 3.922 0.02 . 1 . 1373 . A 129 GLU HA . 18013 1 1608 . 1 1 129 129 GLU HB2 H 1 2.276 0.02 . 1 . 1374 . A 129 GLU HB2 . 18013 1 1609 . 1 1 129 129 GLU HB3 H 1 2.276 0.02 . 1 . 1647 . A 129 GLU HB3 . 18013 1 1610 . 1 1 129 129 GLU HG2 H 1 2.881 0.02 . 2 . 1375 . A 129 GLU HG2 . 18013 1 1611 . 1 1 129 129 GLU HG3 H 1 2.105 0.02 . 2 . 1376 . A 129 GLU HG3 . 18013 1 1612 . 1 1 129 129 GLU C C 13 177.565 0.30 . 1 . 1368 . A 129 GLU C . 18013 1 1613 . 1 1 129 129 GLU CA C 13 59.139 0.30 . 1 . 1369 . A 129 GLU CA . 18013 1 1614 . 1 1 129 129 GLU CB C 13 31.269 0.30 . 1 . 1370 . A 129 GLU CB . 18013 1 1615 . 1 1 129 129 GLU CG C 13 38.431 0.30 . 1 . 1371 . A 129 GLU CG . 18013 1 1616 . 1 1 129 129 GLU N N 15 120.999 0.30 . 1 . 1377 . A 129 GLU N . 18013 1 1617 . 1 1 130 130 ALA H H 1 8.060 0.02 . 1 . 1381 . A 130 ALA H . 18013 1 1618 . 1 1 130 130 ALA HA H 1 3.899 0.02 . 1 . 1382 . A 130 ALA HA . 18013 1 1619 . 1 1 130 130 ALA HB1 H 1 1.534 0.02 . 1 . 1383 . A 130 ALA HB1 . 18013 1 1620 . 1 1 130 130 ALA HB2 H 1 1.534 0.02 . 1 . 1383 . A 130 ALA HB2 . 18013 1 1621 . 1 1 130 130 ALA HB3 H 1 1.534 0.02 . 1 . 1383 . A 130 ALA HB3 . 18013 1 1622 . 1 1 130 130 ALA C C 13 181.135 0.30 . 1 . 1378 . A 130 ALA C . 18013 1 1623 . 1 1 130 130 ALA CA C 13 54.863 0.30 . 1 . 1379 . A 130 ALA CA . 18013 1 1624 . 1 1 130 130 ALA CB C 13 17.769 0.30 . 1 . 1380 . A 130 ALA CB . 18013 1 1625 . 1 1 130 130 ALA N N 15 119.599 0.30 . 1 . 1384 . A 130 ALA N . 18013 1 1626 . 1 1 131 131 GLN H H 1 7.599 0.02 . 1 . 1389 . A 131 GLN H . 18013 1 1627 . 1 1 131 131 GLN HA H 1 4.034 0.02 . 1 . 1390 . A 131 GLN HA . 18013 1 1628 . 1 1 131 131 GLN HB2 H 1 1.982 0.02 . 2 . 1392 . A 131 GLN HB2 . 18013 1 1629 . 1 1 131 131 GLN HB3 H 1 2.217 0.02 . 2 . 1391 . A 131 GLN HB3 . 18013 1 1630 . 1 1 131 131 GLN HG2 H 1 2.455 0.02 . 1 . 1393 . A 131 GLN HG2 . 18013 1 1631 . 1 1 131 131 GLN HG3 H 1 2.455 0.02 . 1 . 1648 . A 131 GLN HG3 . 18013 1 1632 . 1 1 131 131 GLN HE21 H 1 6.841 0.02 . 1 . 1395 . A 131 GLN HE21 . 18013 1 1633 . 1 1 131 131 GLN HE22 H 1 7.585 0.02 . 1 . 1394 . A 131 GLN HE22 . 18013 1 1634 . 1 1 131 131 GLN C C 13 177.391 0.30 . 1 . 1385 . A 131 GLN C . 18013 1 1635 . 1 1 131 131 GLN CA C 13 58.663 0.30 . 1 . 1386 . A 131 GLN CA . 18013 1 1636 . 1 1 131 131 GLN CB C 13 28.102 0.30 . 1 . 1387 . A 131 GLN CB . 18013 1 1637 . 1 1 131 131 GLN CG C 13 33.634 0.30 . 1 . 1388 . A 131 GLN CG . 18013 1 1638 . 1 1 131 131 GLN N N 15 118.451 0.30 . 1 . 1396 . A 131 GLN N . 18013 1 1639 . 1 1 131 131 GLN NE2 N 15 111.731 0.30 . 1 . 1397 . A 131 GLN NE2 . 18013 1 1640 . 1 1 132 132 ALA H H 1 8.031 0.02 . 1 . 1401 . A 132 ALA H . 18013 1 1641 . 1 1 132 132 ALA HA H 1 3.984 0.02 . 1 . 1402 . A 132 ALA HA . 18013 1 1642 . 1 1 132 132 ALA HB1 H 1 1.810 0.02 . 1 . 1403 . A 132 ALA HB1 . 18013 1 1643 . 1 1 132 132 ALA HB2 H 1 1.810 0.02 . 1 . 1403 . A 132 ALA HB2 . 18013 1 1644 . 1 1 132 132 ALA HB3 H 1 1.810 0.02 . 1 . 1403 . A 132 ALA HB3 . 18013 1 1645 . 1 1 132 132 ALA C C 13 179.611 0.30 . 1 . 1398 . A 132 ALA C . 18013 1 1646 . 1 1 132 132 ALA CA C 13 55.764 0.30 . 1 . 1399 . A 132 ALA CA . 18013 1 1647 . 1 1 132 132 ALA CB C 13 18.557 0.30 . 1 . 1400 . A 132 ALA CB . 18013 1 1648 . 1 1 132 132 ALA N N 15 123.095 0.30 . 1 . 1404 . A 132 ALA N . 18013 1 1649 . 1 1 133 133 LYS H H 1 8.226 0.02 . 1 . 1411 . A 133 LYS H . 18013 1 1650 . 1 1 133 133 LYS HA H 1 3.461 0.02 . 1 . 1412 . A 133 LYS HA . 18013 1 1651 . 1 1 133 133 LYS HB2 H 1 1.302 0.02 . 2 . 1413 . A 133 LYS HB2 . 18013 1 1652 . 1 1 133 133 LYS HB3 H 1 0.794 0.02 . 2 . 1414 . A 133 LYS HB3 . 18013 1 1653 . 1 1 133 133 LYS HG2 H 1 0.236 0.02 . 2 . 1416 . A 133 LYS HG2 . 18013 1 1654 . 1 1 133 133 LYS HG3 H 1 0.515 0.02 . 2 . 1415 . A 133 LYS HG3 . 18013 1 1655 . 1 1 133 133 LYS HD2 H 1 0.892 0.02 . 2 . 1418 . A 133 LYS HD2 . 18013 1 1656 . 1 1 133 133 LYS HD3 H 1 1.065 0.02 . 2 . 1417 . A 133 LYS HD3 . 18013 1 1657 . 1 1 133 133 LYS HE2 H 1 2.119 0.02 . 2 . 1420 . A 133 LYS HE2 . 18013 1 1658 . 1 1 133 133 LYS HE3 H 1 2.260 0.02 . 2 . 1419 . A 133 LYS HE3 . 18013 1 1659 . 1 1 133 133 LYS C C 13 180.894 0.30 . 1 . 1405 . A 133 LYS C . 18013 1 1660 . 1 1 133 133 LYS CA C 13 59.571 0.30 . 1 . 1406 . A 133 LYS CA . 18013 1 1661 . 1 1 133 133 LYS CB C 13 32.423 0.30 . 1 . 1407 . A 133 LYS CB . 18013 1 1662 . 1 1 133 133 LYS CG C 13 24.396 0.30 . 1 . 1408 . A 133 LYS CG . 18013 1 1663 . 1 1 133 133 LYS CD C 13 29.375 0.30 . 1 . 1409 . A 133 LYS CD . 18013 1 1664 . 1 1 133 133 LYS CE C 13 41.446 0.30 . 1 . 1410 . A 133 LYS CE . 18013 1 1665 . 1 1 133 133 LYS N N 15 117.258 0.30 . 1 . 1421 . A 133 LYS N . 18013 1 1666 . 1 1 134 134 LYS H H 1 7.817 0.02 . 1 . 1428 . A 134 LYS H . 18013 1 1667 . 1 1 134 134 LYS HA H 1 4.009 0.02 . 1 . 1429 . A 134 LYS HA . 18013 1 1668 . 1 1 134 134 LYS HB2 H 1 1.990 0.02 . 1 . 1649 . A 134 LYS HB2 . 18013 1 1669 . 1 1 134 134 LYS HB3 H 1 1.990 0.02 . 1 . 1430 . A 134 LYS HB3 . 18013 1 1670 . 1 1 134 134 LYS HG2 H 1 1.439 0.02 . 2 . 1432 . A 134 LYS HG2 . 18013 1 1671 . 1 1 134 134 LYS HG3 H 1 1.560 0.02 . 2 . 1431 . A 134 LYS HG3 . 18013 1 1672 . 1 1 134 134 LYS HD2 H 1 1.638 0.02 . 2 . 1434 . A 134 LYS HD2 . 18013 1 1673 . 1 1 134 134 LYS HD3 H 1 1.745 0.02 . 2 . 1433 . A 134 LYS HD3 . 18013 1 1674 . 1 1 134 134 LYS HE2 H 1 2.924 0.02 . 2 . 1436 . A 134 LYS HE2 . 18013 1 1675 . 1 1 134 134 LYS HE3 H 1 3.027 0.02 . 2 . 1435 . A 134 LYS HE3 . 18013 1 1676 . 1 1 134 134 LYS C C 13 178.729 0.30 . 1 . 1422 . A 134 LYS C . 18013 1 1677 . 1 1 134 134 LYS CA C 13 59.212 0.30 . 1 . 1423 . A 134 LYS CA . 18013 1 1678 . 1 1 134 134 LYS CB C 13 32.087 0.30 . 1 . 1424 . A 134 LYS CB . 18013 1 1679 . 1 1 134 134 LYS CG C 13 24.728 0.30 . 1 . 1425 . A 134 LYS CG . 18013 1 1680 . 1 1 134 134 LYS CD C 13 29.006 0.30 . 1 . 1426 . A 134 LYS CD . 18013 1 1681 . 1 1 134 134 LYS CE C 13 42.023 0.30 . 1 . 1427 . A 134 LYS CE . 18013 1 1682 . 1 1 134 134 LYS N N 15 122.279 0.30 . 1 . 1437 . A 134 LYS N . 18013 1 1683 . 1 1 135 135 GLU H H 1 7.657 0.02 . 1 . 1442 . A 135 GLU H . 18013 1 1684 . 1 1 135 135 GLU HA H 1 4.091 0.02 . 1 . 1443 . A 135 GLU HA . 18013 1 1685 . 1 1 135 135 GLU HB2 H 1 2.088 0.02 . 2 . 1445 . A 135 GLU HB2 . 18013 1 1686 . 1 1 135 135 GLU HB3 H 1 2.167 0.02 . 2 . 1444 . A 135 GLU HB3 . 18013 1 1687 . 1 1 135 135 GLU HG2 H 1 2.574 0.02 . 2 . 1446 . A 135 GLU HG2 . 18013 1 1688 . 1 1 135 135 GLU HG3 H 1 2.332 0.02 . 2 . 1447 . A 135 GLU HG3 . 18013 1 1689 . 1 1 135 135 GLU C C 13 174.666 0.30 . 1 . 1438 . A 135 GLU C . 18013 1 1690 . 1 1 135 135 GLU CA C 13 56.560 0.30 . 1 . 1439 . A 135 GLU CA . 18013 1 1691 . 1 1 135 135 GLU CB C 13 29.941 0.30 . 1 . 1440 . A 135 GLU CB . 18013 1 1692 . 1 1 135 135 GLU CG C 13 36.934 0.30 . 1 . 1441 . A 135 GLU CG . 18013 1 1693 . 1 1 135 135 GLU N N 15 116.338 0.30 . 1 . 1448 . A 135 GLU N . 18013 1 1694 . 1 1 136 136 LYS H H 1 7.885 0.02 . 1 . 1455 . A 136 LYS H . 18013 1 1695 . 1 1 136 136 LYS HA H 1 3.600 0.02 . 1 . 1456 . A 136 LYS HA . 18013 1 1696 . 1 1 136 136 LYS HB2 H 1 2.107 0.02 . 2 . 1457 . A 136 LYS HB2 . 18013 1 1697 . 1 1 136 136 LYS HB3 H 1 1.865 0.02 . 2 . 1458 . A 136 LYS HB3 . 18013 1 1698 . 1 1 136 136 LYS C C 13 175.151 0.30 . 1 . 1449 . A 136 LYS C . 18013 1 1699 . 1 1 136 136 LYS CA C 13 56.863 0.30 . 1 . 1450 . A 136 LYS CA . 18013 1 1700 . 1 1 136 136 LYS CB C 13 29.098 0.30 . 1 . 1451 . A 136 LYS CB . 18013 1 1701 . 1 1 136 136 LYS CG C 13 24.876 0.30 . 1 . 1452 . A 136 LYS CG . 18013 1 1702 . 1 1 136 136 LYS CD C 13 29.309 0.30 . 1 . 1453 . A 136 LYS CD . 18013 1 1703 . 1 1 136 136 LYS CE C 13 42.429 0.30 . 1 . 1454 . A 136 LYS CE . 18013 1 1704 . 1 1 136 136 LYS N N 15 116.887 0.30 . 1 . 1459 . A 136 LYS N . 18013 1 1705 . 1 1 137 137 LEU H H 1 7.722 0.02 . 1 . 1466 . A 137 LEU H . 18013 1 1706 . 1 1 137 137 LEU HA H 1 4.229 0.02 . 1 . 1467 . A 137 LEU HA . 18013 1 1707 . 1 1 137 137 LEU HB2 H 1 1.586 0.02 . 2 . 1468 . A 137 LEU HB2 . 18013 1 1708 . 1 1 137 137 LEU HB3 H 1 1.479 0.02 . 2 . 1469 . A 137 LEU HB3 . 18013 1 1709 . 1 1 137 137 LEU HG H 1 1.699 0.02 . 1 . 1470 . A 137 LEU HG . 18013 1 1710 . 1 1 137 137 LEU HD11 H 1 1.039 0.02 . 2 . 1471 . A 137 LEU HD11 . 18013 1 1711 . 1 1 137 137 LEU HD12 H 1 1.039 0.02 . 2 . 1471 . A 137 LEU HD12 . 18013 1 1712 . 1 1 137 137 LEU HD13 H 1 1.039 0.02 . 2 . 1471 . A 137 LEU HD13 . 18013 1 1713 . 1 1 137 137 LEU HD21 H 1 0.905 0.02 . 2 . 1472 . A 137 LEU HD21 . 18013 1 1714 . 1 1 137 137 LEU HD22 H 1 0.905 0.02 . 2 . 1472 . A 137 LEU HD22 . 18013 1 1715 . 1 1 137 137 LEU HD23 H 1 0.905 0.02 . 2 . 1472 . A 137 LEU HD23 . 18013 1 1716 . 1 1 137 137 LEU C C 13 178.664 0.30 . 1 . 1460 . A 137 LEU C . 18013 1 1717 . 1 1 137 137 LEU CA C 13 55.100 0.30 . 1 . 1461 . A 137 LEU CA . 18013 1 1718 . 1 1 137 137 LEU CB C 13 44.142 0.30 . 1 . 1462 . A 137 LEU CB . 18013 1 1719 . 1 1 137 137 LEU CG C 13 26.602 0.30 . 1 . 1463 . A 137 LEU CG . 18013 1 1720 . 1 1 137 137 LEU CD1 C 13 25.108 0.30 . 2 . 1464 . A 137 LEU CD1 . 18013 1 1721 . 1 1 137 137 LEU CD2 C 13 23.193 0.30 . 2 . 1465 . A 137 LEU CD2 . 18013 1 1722 . 1 1 137 137 LEU N N 15 117.258 0.30 . 1 . 1473 . A 137 LEU N . 18013 1 1723 . 1 1 138 138 ASN H H 1 9.144 0.02 . 1 . 1477 . A 138 ASN H . 18013 1 1724 . 1 1 138 138 ASN HA H 1 3.985 0.02 . 1 . 1478 . A 138 ASN HA . 18013 1 1725 . 1 1 138 138 ASN HB2 H 1 1.745 0.02 . 2 . 1480 . A 138 ASN HB2 . 18013 1 1726 . 1 1 138 138 ASN HB3 H 1 2.873 0.02 . 2 . 1479 . A 138 ASN HB3 . 18013 1 1727 . 1 1 138 138 ASN HD21 H 1 7.244 0.02 . 1 . 1482 . A 138 ASN HD21 . 18013 1 1728 . 1 1 138 138 ASN HD22 H 1 8.258 0.02 . 1 . 1481 . A 138 ASN HD22 . 18013 1 1729 . 1 1 138 138 ASN C C 13 176.547 0.30 . 1 . 1474 . A 138 ASN C . 18013 1 1730 . 1 1 138 138 ASN CA C 13 56.458 0.30 . 1 . 1475 . A 138 ASN CA . 18013 1 1731 . 1 1 138 138 ASN CB C 13 38.752 0.30 . 1 . 1476 . A 138 ASN CB . 18013 1 1732 . 1 1 138 138 ASN N N 15 119.244 0.30 . 1 . 1483 . A 138 ASN N . 18013 1 1733 . 1 1 138 138 ASN ND2 N 15 115.158 0.30 . 1 . 1484 . A 138 ASN ND2 . 18013 1 1734 . 1 1 139 139 ILE H H 1 8.423 0.02 . 1 . 1491 . A 139 ILE H . 18013 1 1735 . 1 1 139 139 ILE HA H 1 3.368 0.02 . 1 . 1492 . A 139 ILE HA . 18013 1 1736 . 1 1 139 139 ILE HB H 1 1.147 0.02 . 1 . 1493 . A 139 ILE HB . 18013 1 1737 . 1 1 139 139 ILE HG12 H 1 0.025 0.02 . 2 . 1495 . A 139 ILE HG12 . 18013 1 1738 . 1 1 139 139 ILE HG13 H 1 0.554 0.02 . 2 . 1494 . A 139 ILE HG13 . 18013 1 1739 . 1 1 139 139 ILE HG21 H 1 0.209 0.02 . 1 . 1496 . A 139 ILE HG21 . 18013 1 1740 . 1 1 139 139 ILE HG22 H 1 0.209 0.02 . 1 . 1496 . A 139 ILE HG22 . 18013 1 1741 . 1 1 139 139 ILE HG23 H 1 0.209 0.02 . 1 . 1496 . A 139 ILE HG23 . 18013 1 1742 . 1 1 139 139 ILE HD11 H 1 0.103 0.02 . 1 . 1497 . A 139 ILE HD11 . 18013 1 1743 . 1 1 139 139 ILE HD12 H 1 0.103 0.02 . 1 . 1497 . A 139 ILE HD12 . 18013 1 1744 . 1 1 139 139 ILE HD13 H 1 0.103 0.02 . 1 . 1497 . A 139 ILE HD13 . 18013 1 1745 . 1 1 139 139 ILE C C 13 175.472 0.30 . 1 . 1485 . A 139 ILE C . 18013 1 1746 . 1 1 139 139 ILE CA C 13 65.649 0.30 . 1 . 1486 . A 139 ILE CA . 18013 1 1747 . 1 1 139 139 ILE CB C 13 37.186 0.30 . 1 . 1487 . A 139 ILE CB . 18013 1 1748 . 1 1 139 139 ILE CG1 C 13 25.223 0.30 . 1 . 1488 . A 139 ILE CG1 . 18013 1 1749 . 1 1 139 139 ILE CG2 C 13 15.348 0.30 . 1 . 1489 . A 139 ILE CG2 . 18013 1 1750 . 1 1 139 139 ILE CD1 C 13 13.632 0.30 . 1 . 1490 . A 139 ILE CD1 . 18013 1 1751 . 1 1 139 139 ILE N N 15 124.011 0.30 . 1 . 1498 . A 139 ILE N . 18013 1 1752 . 1 1 140 140 TRP H H 1 7.839 0.02 . 1 . 1505 . A 140 TRP H . 18013 1 1753 . 1 1 140 140 TRP HA H 1 4.932 0.02 . 1 . 1506 . A 140 TRP HA . 18013 1 1754 . 1 1 140 140 TRP HB2 H 1 2.890 0.02 . 2 . 1508 . A 140 TRP HB2 . 18013 1 1755 . 1 1 140 140 TRP HB3 H 1 3.746 0.02 . 2 . 1507 . A 140 TRP HB3 . 18013 1 1756 . 1 1 140 140 TRP HD1 H 1 7.088 0.02 . 1 . 1509 . A 140 TRP HD1 . 18013 1 1757 . 1 1 140 140 TRP HE1 H 1 11.519 0.02 . 1 . 1510 . A 140 TRP HE1 . 18013 1 1758 . 1 1 140 140 TRP HZ2 H 1 7.569 0.02 . 1 . 1511 . A 140 TRP HZ2 . 18013 1 1759 . 1 1 140 140 TRP HH2 H 1 7.190 0.02 . 1 . 1512 . A 140 TRP HH2 . 18013 1 1760 . 1 1 140 140 TRP C C 13 176.277 0.30 . 1 . 1499 . A 140 TRP C . 18013 1 1761 . 1 1 140 140 TRP CA C 13 55.044 0.30 . 1 . 1500 . A 140 TRP CA . 18013 1 1762 . 1 1 140 140 TRP CB C 13 29.976 0.30 . 1 . 1501 . A 140 TRP CB . 18013 1 1763 . 1 1 140 140 TRP CD1 C 13 128.042 0.30 . 1 . 1502 . A 140 TRP CD1 . 18013 1 1764 . 1 1 140 140 TRP CZ2 C 13 114.797 0.30 . 1 . 1503 . A 140 TRP CZ2 . 18013 1 1765 . 1 1 140 140 TRP CH2 C 13 123.777 0.30 . 1 . 1504 . A 140 TRP CH2 . 18013 1 1766 . 1 1 140 140 TRP N N 15 119.723 0.30 . 1 . 1513 . A 140 TRP N . 18013 1 1767 . 1 1 140 140 TRP NE1 N 15 130.990 0.30 . 1 . 1514 . A 140 TRP NE1 . 18013 1 1768 . 1 1 141 141 SER H H 1 8.099 0.02 . 1 . 1518 . A 141 SER H . 18013 1 1769 . 1 1 141 141 SER HA H 1 4.288 0.02 . 1 . 1519 . A 141 SER HA . 18013 1 1770 . 1 1 141 141 SER HB2 H 1 4.195 0.02 . 1 . 1650 . A 141 SER HB2 . 18013 1 1771 . 1 1 141 141 SER HB3 H 1 4.195 0.02 . 1 . 1520 . A 141 SER HB3 . 18013 1 1772 . 1 1 141 141 SER C C 13 175.270 0.30 . 1 . 1515 . A 141 SER C . 18013 1 1773 . 1 1 141 141 SER CA C 13 59.847 0.30 . 1 . 1516 . A 141 SER CA . 18013 1 1774 . 1 1 141 141 SER CB C 13 64.422 0.30 . 1 . 1517 . A 141 SER CB . 18013 1 1775 . 1 1 141 141 SER N N 15 116.042 0.30 . 1 . 1521 . A 141 SER N . 18013 1 1776 . 1 1 142 142 GLU H H 1 7.900 0.02 . 1 . 1526 . A 142 GLU H . 18013 1 1777 . 1 1 142 142 GLU HA H 1 4.488 0.02 . 1 . 1527 . A 142 GLU HA . 18013 1 1778 . 1 1 142 142 GLU HB2 H 1 2.009 0.02 . 2 . 1529 . A 142 GLU HB2 . 18013 1 1779 . 1 1 142 142 GLU HB3 H 1 2.245 0.02 . 2 . 1528 . A 142 GLU HB3 . 18013 1 1780 . 1 1 142 142 GLU HG2 H 1 2.473 0.02 . 2 . 1530 . A 142 GLU HG2 . 18013 1 1781 . 1 1 142 142 GLU HG3 H 1 2.399 0.02 . 2 . 1531 . A 142 GLU HG3 . 18013 1 1782 . 1 1 142 142 GLU C C 13 176.249 0.30 . 1 . 1522 . A 142 GLU C . 18013 1 1783 . 1 1 142 142 GLU CA C 13 56.047 0.30 . 1 . 1523 . A 142 GLU CA . 18013 1 1784 . 1 1 142 142 GLU CB C 13 30.264 0.30 . 1 . 1524 . A 142 GLU CB . 18013 1 1785 . 1 1 142 142 GLU CG C 13 35.826 0.30 . 1 . 1525 . A 142 GLU CG . 18013 1 1786 . 1 1 142 142 GLU N N 15 121.141 0.30 . 1 . 1532 . A 142 GLU N . 18013 1 1787 . 1 1 143 143 ASP H H 1 8.360 0.02 . 1 . 1536 . A 143 ASP H . 18013 1 1788 . 1 1 143 143 ASP HA H 1 4.673 0.02 . 1 . 1537 . A 143 ASP HA . 18013 1 1789 . 1 1 143 143 ASP HB2 H 1 2.729 0.02 . 2 . 1539 . A 143 ASP HB2 . 18013 1 1790 . 1 1 143 143 ASP HB3 H 1 2.823 0.02 . 2 . 1538 . A 143 ASP HB3 . 18013 1 1791 . 1 1 143 143 ASP C C 13 176.103 0.30 . 1 . 1533 . A 143 ASP C . 18013 1 1792 . 1 1 143 143 ASP CA C 13 54.669 0.30 . 1 . 1534 . A 143 ASP CA . 18013 1 1793 . 1 1 143 143 ASP CB C 13 41.044 0.30 . 1 . 1535 . A 143 ASP CB . 18013 1 1794 . 1 1 143 143 ASP N N 15 121.032 0.30 . 1 . 1540 . A 143 ASP N . 18013 1 1795 . 1 1 144 144 ASN H H 1 8.392 0.02 . 1 . 1544 . A 144 ASN H . 18013 1 1796 . 1 1 144 144 ASN HA H 1 4.821 0.02 . 1 . 1545 . A 144 ASN HA . 18013 1 1797 . 1 1 144 144 ASN HB2 H 1 2.842 0.02 . 2 . 1547 . A 144 ASN HB2 . 18013 1 1798 . 1 1 144 144 ASN HB3 H 1 2.926 0.02 . 2 . 1546 . A 144 ASN HB3 . 18013 1 1799 . 1 1 144 144 ASN HD21 H 1 6.948 0.02 . 1 . 1549 . A 144 ASN HD21 . 18013 1 1800 . 1 1 144 144 ASN HD22 H 1 7.622 0.02 . 1 . 1548 . A 144 ASN HD22 . 18013 1 1801 . 1 1 144 144 ASN C C 13 175.291 0.30 . 1 . 1541 . A 144 ASN C . 18013 1 1802 . 1 1 144 144 ASN CA C 13 53.239 0.30 . 1 . 1542 . A 144 ASN CA . 18013 1 1803 . 1 1 144 144 ASN CB C 13 39.067 0.30 . 1 . 1543 . A 144 ASN CB . 18013 1 1804 . 1 1 144 144 ASN N N 15 119.258 0.30 . 1 . 1550 . A 144 ASN N . 18013 1 1805 . 1 1 144 144 ASN ND2 N 15 112.918 0.30 . 1 . 1551 . A 144 ASN ND2 . 18013 1 1806 . 1 1 145 145 ALA H H 1 8.252 0.02 . 1 . 1555 . A 145 ALA H . 18013 1 1807 . 1 1 145 145 ALA HA H 1 4.358 0.02 . 1 . 1556 . A 145 ALA HA . 18013 1 1808 . 1 1 145 145 ALA HB1 H 1 1.488 0.02 . 1 . 1557 . A 145 ALA HB1 . 18013 1 1809 . 1 1 145 145 ALA HB2 H 1 1.488 0.02 . 1 . 1557 . A 145 ALA HB2 . 18013 1 1810 . 1 1 145 145 ALA HB3 H 1 1.488 0.02 . 1 . 1557 . A 145 ALA HB3 . 18013 1 1811 . 1 1 145 145 ALA C C 13 177.736 0.30 . 1 . 1552 . A 145 ALA C . 18013 1 1812 . 1 1 145 145 ALA CA C 13 53.042 0.30 . 1 . 1553 . A 145 ALA CA . 18013 1 1813 . 1 1 145 145 ALA CB C 13 19.247 0.30 . 1 . 1554 . A 145 ALA CB . 18013 1 1814 . 1 1 145 145 ALA N N 15 123.960 0.30 . 1 . 1558 . A 145 ALA N . 18013 1 1815 . 1 1 146 146 ASP H H 1 8.347 0.02 . 1 . 1562 . A 146 ASP H . 18013 1 1816 . 1 1 146 146 ASP HA H 1 4.710 0.02 . 1 . 1563 . A 146 ASP HA . 18013 1 1817 . 1 1 146 146 ASP HB2 H 1 2.733 0.02 . 2 . 1565 . A 146 ASP HB2 . 18013 1 1818 . 1 1 146 146 ASP HB3 H 1 2.825 0.02 . 2 . 1564 . A 146 ASP HB3 . 18013 1 1819 . 1 1 146 146 ASP C C 13 176.455 0.30 . 1 . 1559 . A 146 ASP C . 18013 1 1820 . 1 1 146 146 ASP CA C 13 54.246 0.30 . 1 . 1560 . A 146 ASP CA . 18013 1 1821 . 1 1 146 146 ASP CB C 13 41.036 0.30 . 1 . 1561 . A 146 ASP CB . 18013 1 1822 . 1 1 146 146 ASP N N 15 118.807 0.30 . 1 . 1566 . A 146 ASP N . 18013 1 1823 . 1 1 147 147 SER H H 1 8.214 0.02 . 1 . 1570 . A 147 SER H . 18013 1 1824 . 1 1 147 147 SER HA H 1 4.504 0.02 . 1 . 1571 . A 147 SER HA . 18013 1 1825 . 1 1 147 147 SER HB2 H 1 4.011 0.02 . 2 . 1572 . A 147 SER HB2 . 18013 1 1826 . 1 1 147 147 SER HB3 H 1 3.963 0.02 . 2 . 1573 . A 147 SER HB3 . 18013 1 1827 . 1 1 147 147 SER C C 13 175.272 0.30 . 1 . 1567 . A 147 SER C . 18013 1 1828 . 1 1 147 147 SER CA C 13 58.686 0.30 . 1 . 1568 . A 147 SER CA . 18013 1 1829 . 1 1 147 147 SER CB C 13 63.992 0.30 . 1 . 1569 . A 147 SER CB . 18013 1 1830 . 1 1 147 147 SER N N 15 115.948 0.30 . 1 . 1574 . A 147 SER N . 18013 1 1831 . 1 1 148 148 GLY H H 1 8.471 0.02 . 1 . 1576 . A 148 GLY H . 18013 1 1832 . 1 1 148 148 GLY HA2 H 1 4.023 0.02 . 1 . 1577 . A 148 GLY HA2 . 18013 1 1833 . 1 1 148 148 GLY HA3 H 1 4.023 0.02 . 1 . 1651 . A 148 GLY HA3 . 18013 1 1834 . 1 1 148 148 GLY CA C 13 45.548 0.30 . 1 . 1575 . A 148 GLY CA . 18013 1 1835 . 1 1 148 148 GLY N N 15 111.053 0.30 . 1 . 1578 . A 148 GLY N . 18013 1 1836 . 1 1 149 149 GLN H H 1 7.850 0.02 . 1 . 1582 . A 149 GLN H . 18013 1 1837 . 1 1 149 149 GLN HA H 1 4.246 0.02 . 1 . 1583 . A 149 GLN HA . 18013 1 1838 . 1 1 149 149 GLN HB2 H 1 1.970 0.02 . 2 . 1585 . A 149 GLN HB2 . 18013 1 1839 . 1 1 149 149 GLN HB3 H 1 2.191 0.02 . 2 . 1584 . A 149 GLN HB3 . 18013 1 1840 . 1 1 149 149 GLN HG2 H 1 2.345 0.02 . 1 . 1586 . A 149 GLN HG2 . 18013 1 1841 . 1 1 149 149 GLN HG3 H 1 2.345 0.02 . 1 . 1652 . A 149 GLN HG3 . 18013 1 1842 . 1 1 149 149 GLN HE21 H 1 6.809 0.02 . 1 . 1587 . A 149 GLN HE21 . 18013 1 1843 . 1 1 149 149 GLN CA C 13 57.173 0.30 . 1 . 1579 . A 149 GLN CA . 18013 1 1844 . 1 1 149 149 GLN CB C 13 30.353 0.30 . 1 . 1580 . A 149 GLN CB . 18013 1 1845 . 1 1 149 149 GLN CG C 13 34.296 0.30 . 1 . 1581 . A 149 GLN CG . 18013 1 1846 . 1 1 149 149 GLN N N 15 124.525 0.30 . 1 . 1588 . A 149 GLN N . 18013 1 1847 . 1 1 149 149 GLN NE2 N 15 112.054 0.30 . 1 . 1589 . A 149 GLN NE2 . 18013 1 stop_ save_