data_4965 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4965 _Entry.Title ; 1H, 15N, and 13C Assignments and Secondary Structure Identification for Full-length Ribosomal Protein L11 from Thermus thermophilus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-03-05 _Entry.Accession_date 2001-03-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Michelle Markus . A. . 4965 2 Dimitra Triantafillidou . . . 4965 3 Theodora Choli-Papadopoulou . . . 4965 4 Dennis Torchia . A. . 4965 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4965 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 941 4965 '13C chemical shifts' 635 4965 '15N chemical shifts' 146 4965 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-10-06 . update BMRB 'relation loop added' 4965 2 . . 2001-07-30 . update BMRB 'citation updated' 4965 3 . . 2001-04-01 . original author 'original release' 4965 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7308 'L11 - RNA (- Thiostrepton) complex' 4965 BMRB 7307 'L11 - RNA complex' 4965 BMRB 5513 'Free L11 of Thermotoga maritima' 4965 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4965 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21410523 _Citation.DOI . _Citation.PubMed_ID 11519754 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 15N, and 13C Assignments and Secondary Structure Identification for Full-length Ribosomal Protein L11 from Thermus thermophilus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 20 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 293 _Citation.Page_last 294 _Citation.Year 2001 _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 Michelle Markus . A. . 4965 1 2 Dimitra Triantafillidou . . . 4965 1 3 Theodora Choli-Papadopoulou . . . 4965 1 4 Dennis Torchia . A. . 4965 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'antibiotic target' 4965 1 'chemical shift assignments' 4965 1 'ribosomal protein' 4965 1 'RNA-protein interaction' 4965 1 'secondary structure' 4965 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Tth_L11 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Tth_L11 _Assembly.Entry_ID 4965 _Assembly.ID 1 _Assembly.Name L11 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4965 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Tth L11' 1 $L11 . . . native . . . . . 4965 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID L11 system 4965 1 'Tth L11' abbreviation 4965 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'ribosomal protein' 4965 1 'binds RNA' 4965 1 'part of the GTPase center' 4965 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_L11 _Entity.Sf_category entity _Entity.Sf_framecode L11 _Entity.Entry_ID 4965 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ribosomal protein L11' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKKVVAVVKLQLPAGKATPA PPVGPALGQHGANIMEFVKA FNAATANMGDAIVPVEITIY ADRSFTFVTKTPPASYLIRK AAGLEKGAHKPGREKVGRIT WEQVLEIAKQKMPDLNTTDL EAAARMIAGSARSMGVEVVG APEVKDA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 147 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 7314 . L11 . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 2 no BMRB 7315 . L11 . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 3 no PDB 2E34 . "L11 Structure With Rdc And Rg Refinement" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 4 no PDB 2E35 . "The Minimized Average Structure Of L11 With Rg Refinement" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 5 no PDB 2E36 . "L11 With Sans Refinement" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 6 no PDB 2H8W . "Solution Structure Of Ribosomal Protein L11" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 7 no PDB 2HGJ . "Crystal Structure Of The 70s Thermus Thermophilus Ribosome Showing How The 16s 3'-End Mimicks Mrna E And P Codons. This Entry 2" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 8 no PDB 2HGQ . "Crystal Structure Of The 70s Thermus Thermophilus Ribosome With Translocated And Rotated Shine-Dalgarno Duplex. This Entry 2hgq" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 9 no PDB 2HGU . "70s T.Th. Ribosome Functional Complex With Mrna And E- And P-Site Trnas At 4.5a. This Entry 2hgu Contains 50s Ribosomal Subunit" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 10 no PDB 2J01 . "Structure Of The Thermus Thermophilus 70s Ribosome Complexed With Mrna, Trna And Paromomycin (Part 2 Of 4). This File Contains " . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 11 no PDB 2J03 . "Structure Of The Thermus Thermophilus 70s Ribosome Complexed With Mrna, Trna And Paromomycin (Part 4 Of 4). This File Contains " . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 12 no PDB 2KLM . "Solution Structure Of L11 With Saxs And Rdc" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 13 no PDB 2NXN . "T. Thermophilus Ribosomal Protein L11 Methyltransferase (Prma) In Complex With Ribosomal Protein L11" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 14 no PDB 2WH2 . "Insights Into Translational Termination From The Structure Of Rf2 Bound To The Ribosome" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 15 no PDB 2WH4 . "Insights Into Translational Termination From The Structure Of Rf2 Bound To The Ribosome" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 16 no PDB 2WRJ . "The Structure Of The Ribosome With Elongation Factor G Trapped In The Post-Translocational State (Part 2 Of 4)." . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 17 no PDB 2WRL . "The Structure Of The Ribosome With Elongation Factor G Trapped In The Post-Translocational State. (Part 4 Of 4)." . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 18 no PDB 2X9S . "Structure Of The 70s Ribosome Bound To Release Factor 2 And A Substrate Analog Provides Insights Into Catalysis Of Peptide Rele" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 19 no PDB 2X9U . "Structure Of The 70s Ribosome Bound To Release Factor 2 And A Substrate Analog Provides Insights Into Catalysis Of Peptide Rele" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 20 no PDB 2XTG . "Trna Tranlocation On The 70s Ribosome: The Pre- Translocational Translocation Intermediate Ti(Pre)" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 21 no PDB 2XUX . "Trna Translocation On The 70s Ribosome: The Post- Translocational Translocation Intermediate Ti(Post)" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 22 no PDB 3CJQ . "Ribosomal Protein L11 Methyltransferase (Prma) In Complex With Dimethylated Ribosomal Protein L11 In Space Group P212121" . . . . . 99.32 146 99.32 99.32 6.00e-98 . . . . 4965 1 23 no PDB 3CJR . "Ribosomal Protein L11 Methyltransferase (prma) In Complex With Ribosomal Protein L11 (k39a) And Inhibitor Sinefungin" . . . . . 100.00 147 99.32 99.32 7.70e-99 . . . . 4965 1 24 no PDB 3CJT . "Ribosomal Protein L11 Methyltransferase (prma) In Complex With Dimethylated Ribosomal Protein L11" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 25 no PDB 3EGV . "Ribosomal Protein L11 Methyltransferase (Prma) In Complex With Trimethylated Ribosomal Protein L11" . . . . . 99.32 146 99.32 99.32 6.00e-98 . . . . 4965 1 26 no PDB 3F1F . "Crystal Structure Of A Translation Termination Complex Formed With Release Factor Rf2. This File Contains The 50s Subunit Of On" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 27 no PDB 3F1H . "Crystal Structure Of A Translation Termination Complex Formed With Release Factor Rf2. This File Contains The 50s Subunit Of Th" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 28 no PDB 3FIN . "T. Thermophilus 70s Ribosome In Complex With Mrna, Trnas And Ef- Tu.Gdp.Kirromycin Ternary Complex, Fitted To A 6.4 A Cryo-Em M" . . . . . 93.88 138 100.00 100.00 4.55e-93 . . . . 4965 1 29 no PDB 3I8I . "Elongation Complex Of The 70s Ribosome With Three Trnas And Entry 3i8i Contains 50s Ribosomal Subnit. The 30s Ribosomal Can Be " . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 30 no PDB 4JUX . "Crystal Structure Of The Ribosome Bound To Elongation Factor G In The Guanosine Triphosphatase State (this File Contains The 50" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 31 no PDB 4KBU . "70s Ribosome Translocation Intermediate Gdpnp-ii Containing Elongation Factor Efg/gdpnp, Mrna, And Trna Bound In The Pe*/e Stat" . . . . . 95.24 140 100.00 100.00 2.52e-94 . . . . 4965 1 32 no PDB 4KBW . "70s Ribosome Translocation Intermediate Gdpnp-ii Containing Elongation Factor Efg/gdpnp, Mrna, And Trna Bound In The Pe*/e Stat" . . . . . 95.24 140 100.00 100.00 2.52e-94 . . . . 4965 1 33 no PDB 4KCZ . "70s Ribosome Translocation Intermediate Gdpnp-i Containing Elongation Factor Efg/gdpnp, Mrna, And Trna Bound In The Pe*/e State" . . . . . 95.24 140 100.00 100.00 2.52e-94 . . . . 4965 1 34 no PDB 4KD2 . "70s Ribosome Translocation Intermediate Gdpnp-i Containing Elongation Factor Efg/gdpnp, Mrna, And Trna Bound In The Pe*/e State" . . . . . 95.24 140 100.00 100.00 2.52e-94 . . . . 4965 1 35 no PDB 4KD9 . "70s Ribosome Translocation Intermediate Fa-3.6a Containing Elongation Factor Efg/fusidic Acid/gdp, Mrna, And Trna Bound In The " . . . . . 95.24 140 100.00 100.00 2.52e-94 . . . . 4965 1 36 no PDB 4KDB . "70s Ribosome Translocation Intermediate Fa-3.6a Containing Elongation Factor Efg/fusidic Acid/gdp, Mrna, And Trna Bound In The " . . . . . 95.24 140 100.00 100.00 2.52e-94 . . . . 4965 1 37 no PDB 4KDH . "70s Ribosome Translocation Intermediate Fa-4.2a Containing Elongation Factor Efg/fusidic Acid/gdp, Mrna, And Trna Bound In The " . . . . . 95.24 140 100.00 100.00 2.52e-94 . . . . 4965 1 38 no PDB 4KDK . "70s Ribosome Translocation Intermediate Fa-4.2a Containing Elongation Factor Efg/fusidic Acid/gdp, Mrna, And Trna Bound In The " . . . . . 95.24 140 100.00 100.00 2.52e-94 . . . . 4965 1 39 no PDB 4KFI . "Crystal Structure Of The 70s Ribosome Bound With The Q253p Mutant Of Release Factor Rf2. 50s Of The A Subunit" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 40 no PDB 4KFL . "Crystal Structure Of The 70s Ribosome Bound With The Q253p Mutant Of Release Factor Rf2. 50s Of The B Subunit" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 41 no PDB 4QJS . "Crystal Structure Of Elongation Factor 4 (ef4/lepa) Bound To The Thermus Thermophilus 70s Ribosome, 50s Subunit Of The 70s Ribo" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 42 no DBJ BAD70070 . "50S ribosomal protein L11 [Thermus thermophilus HB8]" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 43 no EMBL CAA57138 . "ribosomal protein L11 [Thermus thermophilus]" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 44 no GB AAS82080 . "LSU ribosomal protein L11P [Thermus thermophilus HB27]" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 45 no GB ADW20820 . "50S ribosomal protein L11 [Thermus scotoductus SA-01]" . . . . . 100.00 147 97.96 100.00 8.98e-99 . . . . 4965 1 46 no GB AEG32574 . "ribosomal protein L11 [Thermus thermophilus SG0.5JP17-16]" . . . . . 100.00 147 99.32 100.00 4.27e-99 . . . . 4965 1 47 no GB AEV17153 . "50S ribosomal protein L11 [Thermus sp. CCB_US3_UF1]" . . . . . 100.00 147 97.28 100.00 7.98e-98 . . . . 4965 1 48 no GB AFH38065 . "50S ribosomal protein L11 [Thermus thermophilus JL-18]" . . . . . 100.00 147 97.96 99.32 3.40e-98 . . . . 4965 1 49 no PIR S66576 . "ribosomal protein L11 - Thermus aquaticus" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 50 no PRF 2004301A . "ribosomal protein L11" . . . . . 100.00 147 97.28 97.28 1.24e-96 . . . . 4965 1 51 no REF WP_008630514 . "MULTISPECIES: 50S ribosomal protein L11 [Thermus]" . . . . . 100.00 147 99.32 100.00 4.27e-99 . . . . 4965 1 52 no REF WP_011174097 . "50S ribosomal protein L11 [Thermus thermophilus]" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 53 no REF WP_014516502 . "50S ribosomal protein L11 [Thermus sp. CCB_US3_UF1]" . . . . . 100.00 147 97.28 100.00 7.98e-98 . . . . 4965 1 54 no REF WP_014628913 . "50S ribosomal protein L11 [Thermus thermophilus]" . . . . . 100.00 147 97.96 99.32 3.40e-98 . . . . 4965 1 55 no REF WP_015716108 . "MULTISPECIES: 50S ribosomal protein L11 [Thermus]" . . . . . 100.00 147 97.96 100.00 8.98e-99 . . . . 4965 1 56 no SP P36238 . "RecName: Full=50S ribosomal protein L11 [Thermus thermophilus]" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 57 no SP P62442 . "RecName: Full=50S ribosomal protein L11 [Thermus thermophilus HB27]" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 58 no SP Q5SLP6 . "RecName: Full=50S ribosomal protein L11 [Thermus thermophilus HB8]" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 4965 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ribosomal protein L11' common 4965 1 L11 abbreviation 4965 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4965 1 2 . LYS . 4965 1 3 . LYS . 4965 1 4 . VAL . 4965 1 5 . VAL . 4965 1 6 . ALA . 4965 1 7 . VAL . 4965 1 8 . VAL . 4965 1 9 . LYS . 4965 1 10 . LEU . 4965 1 11 . GLN . 4965 1 12 . LEU . 4965 1 13 . PRO . 4965 1 14 . ALA . 4965 1 15 . GLY . 4965 1 16 . LYS . 4965 1 17 . ALA . 4965 1 18 . THR . 4965 1 19 . PRO . 4965 1 20 . ALA . 4965 1 21 . PRO . 4965 1 22 . PRO . 4965 1 23 . VAL . 4965 1 24 . GLY . 4965 1 25 . PRO . 4965 1 26 . ALA . 4965 1 27 . LEU . 4965 1 28 . GLY . 4965 1 29 . GLN . 4965 1 30 . HIS . 4965 1 31 . GLY . 4965 1 32 . ALA . 4965 1 33 . ASN . 4965 1 34 . ILE . 4965 1 35 . MET . 4965 1 36 . GLU . 4965 1 37 . PHE . 4965 1 38 . VAL . 4965 1 39 . LYS . 4965 1 40 . ALA . 4965 1 41 . PHE . 4965 1 42 . ASN . 4965 1 43 . ALA . 4965 1 44 . ALA . 4965 1 45 . THR . 4965 1 46 . ALA . 4965 1 47 . ASN . 4965 1 48 . MET . 4965 1 49 . GLY . 4965 1 50 . ASP . 4965 1 51 . ALA . 4965 1 52 . ILE . 4965 1 53 . VAL . 4965 1 54 . PRO . 4965 1 55 . VAL . 4965 1 56 . GLU . 4965 1 57 . ILE . 4965 1 58 . THR . 4965 1 59 . ILE . 4965 1 60 . TYR . 4965 1 61 . ALA . 4965 1 62 . ASP . 4965 1 63 . ARG . 4965 1 64 . SER . 4965 1 65 . PHE . 4965 1 66 . THR . 4965 1 67 . PHE . 4965 1 68 . VAL . 4965 1 69 . THR . 4965 1 70 . LYS . 4965 1 71 . THR . 4965 1 72 . PRO . 4965 1 73 . PRO . 4965 1 74 . ALA . 4965 1 75 . SER . 4965 1 76 . TYR . 4965 1 77 . LEU . 4965 1 78 . ILE . 4965 1 79 . ARG . 4965 1 80 . LYS . 4965 1 81 . ALA . 4965 1 82 . ALA . 4965 1 83 . GLY . 4965 1 84 . LEU . 4965 1 85 . GLU . 4965 1 86 . LYS . 4965 1 87 . GLY . 4965 1 88 . ALA . 4965 1 89 . HIS . 4965 1 90 . LYS . 4965 1 91 . PRO . 4965 1 92 . GLY . 4965 1 93 . ARG . 4965 1 94 . GLU . 4965 1 95 . LYS . 4965 1 96 . VAL . 4965 1 97 . GLY . 4965 1 98 . ARG . 4965 1 99 . ILE . 4965 1 100 . THR . 4965 1 101 . TRP . 4965 1 102 . GLU . 4965 1 103 . GLN . 4965 1 104 . VAL . 4965 1 105 . LEU . 4965 1 106 . GLU . 4965 1 107 . ILE . 4965 1 108 . ALA . 4965 1 109 . LYS . 4965 1 110 . GLN . 4965 1 111 . LYS . 4965 1 112 . MET . 4965 1 113 . PRO . 4965 1 114 . ASP . 4965 1 115 . LEU . 4965 1 116 . ASN . 4965 1 117 . THR . 4965 1 118 . THR . 4965 1 119 . ASP . 4965 1 120 . LEU . 4965 1 121 . GLU . 4965 1 122 . ALA . 4965 1 123 . ALA . 4965 1 124 . ALA . 4965 1 125 . ARG . 4965 1 126 . MET . 4965 1 127 . ILE . 4965 1 128 . ALA . 4965 1 129 . GLY . 4965 1 130 . SER . 4965 1 131 . ALA . 4965 1 132 . ARG . 4965 1 133 . SER . 4965 1 134 . MET . 4965 1 135 . GLY . 4965 1 136 . VAL . 4965 1 137 . GLU . 4965 1 138 . VAL . 4965 1 139 . VAL . 4965 1 140 . GLY . 4965 1 141 . ALA . 4965 1 142 . PRO . 4965 1 143 . GLU . 4965 1 144 . VAL . 4965 1 145 . LYS . 4965 1 146 . ASP . 4965 1 147 . ALA . 4965 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4965 1 . LYS 2 2 4965 1 . LYS 3 3 4965 1 . VAL 4 4 4965 1 . VAL 5 5 4965 1 . ALA 6 6 4965 1 . VAL 7 7 4965 1 . VAL 8 8 4965 1 . LYS 9 9 4965 1 . LEU 10 10 4965 1 . GLN 11 11 4965 1 . LEU 12 12 4965 1 . PRO 13 13 4965 1 . ALA 14 14 4965 1 . GLY 15 15 4965 1 . LYS 16 16 4965 1 . ALA 17 17 4965 1 . THR 18 18 4965 1 . PRO 19 19 4965 1 . ALA 20 20 4965 1 . PRO 21 21 4965 1 . PRO 22 22 4965 1 . VAL 23 23 4965 1 . GLY 24 24 4965 1 . PRO 25 25 4965 1 . ALA 26 26 4965 1 . LEU 27 27 4965 1 . GLY 28 28 4965 1 . GLN 29 29 4965 1 . HIS 30 30 4965 1 . GLY 31 31 4965 1 . ALA 32 32 4965 1 . ASN 33 33 4965 1 . ILE 34 34 4965 1 . MET 35 35 4965 1 . GLU 36 36 4965 1 . PHE 37 37 4965 1 . VAL 38 38 4965 1 . LYS 39 39 4965 1 . ALA 40 40 4965 1 . PHE 41 41 4965 1 . ASN 42 42 4965 1 . ALA 43 43 4965 1 . ALA 44 44 4965 1 . THR 45 45 4965 1 . ALA 46 46 4965 1 . ASN 47 47 4965 1 . MET 48 48 4965 1 . GLY 49 49 4965 1 . ASP 50 50 4965 1 . ALA 51 51 4965 1 . ILE 52 52 4965 1 . VAL 53 53 4965 1 . PRO 54 54 4965 1 . VAL 55 55 4965 1 . GLU 56 56 4965 1 . ILE 57 57 4965 1 . THR 58 58 4965 1 . ILE 59 59 4965 1 . TYR 60 60 4965 1 . ALA 61 61 4965 1 . ASP 62 62 4965 1 . ARG 63 63 4965 1 . SER 64 64 4965 1 . PHE 65 65 4965 1 . THR 66 66 4965 1 . PHE 67 67 4965 1 . VAL 68 68 4965 1 . THR 69 69 4965 1 . LYS 70 70 4965 1 . THR 71 71 4965 1 . PRO 72 72 4965 1 . PRO 73 73 4965 1 . ALA 74 74 4965 1 . SER 75 75 4965 1 . TYR 76 76 4965 1 . LEU 77 77 4965 1 . ILE 78 78 4965 1 . ARG 79 79 4965 1 . LYS 80 80 4965 1 . ALA 81 81 4965 1 . ALA 82 82 4965 1 . GLY 83 83 4965 1 . LEU 84 84 4965 1 . GLU 85 85 4965 1 . LYS 86 86 4965 1 . GLY 87 87 4965 1 . ALA 88 88 4965 1 . HIS 89 89 4965 1 . LYS 90 90 4965 1 . PRO 91 91 4965 1 . GLY 92 92 4965 1 . ARG 93 93 4965 1 . GLU 94 94 4965 1 . LYS 95 95 4965 1 . VAL 96 96 4965 1 . GLY 97 97 4965 1 . ARG 98 98 4965 1 . ILE 99 99 4965 1 . THR 100 100 4965 1 . TRP 101 101 4965 1 . GLU 102 102 4965 1 . GLN 103 103 4965 1 . VAL 104 104 4965 1 . LEU 105 105 4965 1 . GLU 106 106 4965 1 . ILE 107 107 4965 1 . ALA 108 108 4965 1 . LYS 109 109 4965 1 . GLN 110 110 4965 1 . LYS 111 111 4965 1 . MET 112 112 4965 1 . PRO 113 113 4965 1 . ASP 114 114 4965 1 . LEU 115 115 4965 1 . ASN 116 116 4965 1 . THR 117 117 4965 1 . THR 118 118 4965 1 . ASP 119 119 4965 1 . LEU 120 120 4965 1 . GLU 121 121 4965 1 . ALA 122 122 4965 1 . ALA 123 123 4965 1 . ALA 124 124 4965 1 . ARG 125 125 4965 1 . MET 126 126 4965 1 . ILE 127 127 4965 1 . ALA 128 128 4965 1 . GLY 129 129 4965 1 . SER 130 130 4965 1 . ALA 131 131 4965 1 . ARG 132 132 4965 1 . SER 133 133 4965 1 . MET 134 134 4965 1 . GLY 135 135 4965 1 . VAL 136 136 4965 1 . GLU 137 137 4965 1 . VAL 138 138 4965 1 . VAL 139 139 4965 1 . GLY 140 140 4965 1 . ALA 141 141 4965 1 . PRO 142 142 4965 1 . GLU 143 143 4965 1 . VAL 144 144 4965 1 . LYS 145 145 4965 1 . ASP 146 146 4965 1 . ALA 147 147 4965 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 4965 _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 $L11 . 274 . . 'Thermus thermophilus' . . . Eubacteria . Thermus thermophilus . . . . . . . . . . . . . . . . . . . . . 4965 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 4965 _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 $L11 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET11a . . . . . . 4965 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_sample _Sample.Sf_category sample _Sample.Sf_framecode 15N_sample _Sample.Entry_ID 4965 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ribosomal protein L11' '[U-99% 15N]' . . 1 $L11 . . 1.06 . . mM . . . . 4965 1 2 KH2PO4 . . . . . . . 10 . . mM . . . . 4965 1 3 KCl . . . . . . . 70 . . mM . . . . 4965 1 4 'sodium azide' . . . . . . . 0.1 . . mM . . . . 4965 1 stop_ save_ save_13C_15N_sample _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N_sample _Sample.Entry_ID 4965 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ribosomal protein L11' '[U-99% 15N; U-95% 13C]' . . 1 $L11 . . 1.12 . . mM . . . . 4965 2 2 KH2PO4 . . . . . . . 10 . . mM . . . . 4965 2 3 KCl . . . . . . . 70 . . mM . . . . 4965 2 4 'sodium azide' . . . . . . . 0.1 . . mM . . . . 4965 2 stop_ save_ save_13C_15N_in_D2O _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N_in_D2O _Sample.Entry_ID 4965 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ribosomal protein L11' '[U-99% 15N; U-95% 13C]' . . 1 $L11 . . 0.886 . . mM . . . . 4965 3 2 D2O . . . . . . . 100 . . % . . . . 4965 3 3 KH2PO4 . . . . . . . 10 . . mM . . . . 4965 3 4 KCl . . . . . . . 70 . . mM . . . . 4965 3 5 'sodium azide' . . . . . . . 0.1 . . mM . . . . 4965 3 stop_ save_ ####################### # Sample conditions # ####################### save_NMR_buffer _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode NMR_buffer _Sample_condition_list.Entry_ID 4965 _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 pH 6.5 0.2 n/a 4965 1 temperature 298 0.5 K 4965 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrDraw _Software.Sf_category software _Software.Sf_framecode nmrDraw _Software.Entry_ID 4965 _Software.ID 1 _Software.Name nmrDraw _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4965 1 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 4965 _Software.ID 2 _Software.Name nmrPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4965 2 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 4965 _Software.ID 3 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'interactive peak-picking' 4965 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4965 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'We used two different spectrometers. One was equipped with a cryoprobe.' _NMR_spectrometer.Manufacturer DMX _NMR_spectrometer.Model Bruker _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4965 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Some of the NOESY spectra were recorded on this spectrometer.' _NMR_spectrometer.Manufacturer DMX _NMR_spectrometer.Model Bruker _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4965 _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 NMR_spectrometer_1 DMX Bruker . 500 'We used two different spectrometers. One was equipped with a cryoprobe.' . . 4965 1 2 NMR_spectrometer_2 DMX Bruker . 750 'Some of the NOESY spectra were recorded on this spectrometer.' . . 4965 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 4965 _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 '15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4965 1 2 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4965 1 3 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4965 1 4 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4965 1 5 HCACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4965 1 6 C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4965 1 7 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4965 1 8 HBHA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4965 1 9 H(CCO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4965 1 10 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4965 1 11 HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4965 1 12 HAHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4965 1 13 LRCC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4965 1 14 '2D 1H-1H TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4965 1 15 '13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4965 1 16 '15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4965 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4965 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N HSQC' _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _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_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4965 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _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_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4965 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _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_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4965 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _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_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4965 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCACO _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _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_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4965 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name C(CO)NH _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _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_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4965 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCH-TOCSY _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _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_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4965 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HBHA(CO)NH _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _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_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4965 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name H(CCO)NH _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _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_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4965 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HNHA _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _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_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4965 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HNHB _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _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_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4965 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HAHB _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _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_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 4965 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name LRCC _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _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_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 4965 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '2D 1H-1H TOCSY' _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _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_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 4965 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '13C-separated NOESY' _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _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_ save_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 4965 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '15N-separated NOESY' _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _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 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4965 _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 H 1 TSP 'methyl protons' . . . . ppm 0.000 external direct . external cylindrical parallel . . . . . . 4965 1 C 13 TSP 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4965 1 N 15 'liquid ammonia' nitrogen . . . . ppm . external indirect . . . . . . . . . . 4965 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_L11_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode L11_shifts _Assigned_chem_shift_list.Entry_ID 4965 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $NMR_buffer _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 '15N HSQC' . . . 4965 1 2 HNCACB . . . 4965 1 3 CBCA(CO)NH . . . 4965 1 4 HNCO . . . 4965 1 5 HCACO . . . 4965 1 6 C(CO)NH . . . 4965 1 7 HCCH-TOCSY . . . 4965 1 8 HBHA(CO)NH . . . 4965 1 9 H(CCO)NH . . . 4965 1 10 HNHA . . . 4965 1 11 HNHB . . . 4965 1 12 HAHB . . . 4965 1 13 LRCC . . . 4965 1 14 '2D 1H-1H TOCSY' . . . 4965 1 15 '13C-separated NOESY' . . . 4965 1 16 '15N-separated NOESY' . . . 4965 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.04 0.03 . 1 . . . . . . . . 4965 1 2 . 1 1 1 1 MET HB3 H 1 2.14 0.03 . 2 . . . . . . . . 4965 1 3 . 1 1 1 1 MET HG3 H 1 2.64 0.03 . 2 . . . . . . . . 4965 1 4 . 1 1 1 1 MET HE1 H 1 2.14 0.03 . 1 . . . . . . . . 4965 1 5 . 1 1 1 1 MET HE2 H 1 2.14 0.03 . 1 . . . . . . . . 4965 1 6 . 1 1 1 1 MET HE3 H 1 2.14 0.03 . 1 . . . . . . . . 4965 1 7 . 1 1 1 1 MET C C 13 175.25 0.50 . 1 . . . . . . . . 4965 1 8 . 1 1 1 1 MET CA C 13 63.76 0.50 . 1 . . . . . . . . 4965 1 9 . 1 1 1 1 MET CB C 13 33.45 0.50 . 1 . . . . . . . . 4965 1 10 . 1 1 1 1 MET CG C 13 31.13 0.50 . 1 . . . . . . . . 4965 1 11 . 1 1 1 1 MET CE C 13 16.80 0.50 . 1 . . . . . . . . 4965 1 12 . 1 1 2 2 LYS HA H 1 4.35 0.03 . 1 . . . . . . . . 4965 1 13 . 1 1 2 2 LYS HB3 H 1 1.65 0.03 . 2 . . . . . . . . 4965 1 14 . 1 1 2 2 LYS HB2 H 1 1.44 0.03 . 2 . . . . . . . . 4965 1 15 . 1 1 2 2 LYS HG3 H 1 1.26 0.03 . 2 . . . . . . . . 4965 1 16 . 1 1 2 2 LYS HD3 H 1 1.28 0.03 . 2 . . . . . . . . 4965 1 17 . 1 1 2 2 LYS HD2 H 1 1.06 0.03 . 2 . . . . . . . . 4965 1 18 . 1 1 2 2 LYS HE3 H 1 2.55 0.03 . 2 . . . . . . . . 4965 1 19 . 1 1 2 2 LYS HE2 H 1 2.51 0.03 . 2 . . . . . . . . 4965 1 20 . 1 1 2 2 LYS C C 13 175.49 0.50 . 1 . . . . . . . . 4965 1 21 . 1 1 2 2 LYS CA C 13 56.40 0.50 . 1 . . . . . . . . 4965 1 22 . 1 1 2 2 LYS CB C 13 34.06 0.50 . 1 . . . . . . . . 4965 1 23 . 1 1 2 2 LYS CG C 13 25.15 0.50 . 1 . . . . . . . . 4965 1 24 . 1 1 2 2 LYS CD C 13 29.11 0.50 . 1 . . . . . . . . 4965 1 25 . 1 1 2 2 LYS CE C 13 41.89 0.50 . 1 . . . . . . . . 4965 1 26 . 1 1 3 3 LYS H H 1 8.61 0.03 . 1 . . . . . . . . 4965 1 27 . 1 1 3 3 LYS HA H 1 4.37 0.03 . 1 . . . . . . . . 4965 1 28 . 1 1 3 3 LYS HB3 H 1 1.81 0.03 . 2 . . . . . . . . 4965 1 29 . 1 1 3 3 LYS HB2 H 1 1.73 0.03 . 2 . . . . . . . . 4965 1 30 . 1 1 3 3 LYS HG3 H 1 1.48 0.03 . 2 . . . . . . . . 4965 1 31 . 1 1 3 3 LYS HG2 H 1 1.36 0.03 . 2 . . . . . . . . 4965 1 32 . 1 1 3 3 LYS HD3 H 1 1.72 0.03 . 2 . . . . . . . . 4965 1 33 . 1 1 3 3 LYS HE3 H 1 3.01 0.03 . 2 . . . . . . . . 4965 1 34 . 1 1 3 3 LYS C C 13 175.94 0.50 . 1 . . . . . . . . 4965 1 35 . 1 1 3 3 LYS CA C 13 56.36 0.50 . 1 . . . . . . . . 4965 1 36 . 1 1 3 3 LYS CB C 13 33.62 0.50 . 1 . . . . . . . . 4965 1 37 . 1 1 3 3 LYS CG C 13 24.86 0.50 . 1 . . . . . . . . 4965 1 38 . 1 1 3 3 LYS CD C 13 29.16 0.50 . 1 . . . . . . . . 4965 1 39 . 1 1 3 3 LYS CE C 13 42.45 0.50 . 1 . . . . . . . . 4965 1 40 . 1 1 3 3 LYS N N 15 123.19 0.25 . 1 . . . . . . . . 4965 1 41 . 1 1 4 4 VAL H H 1 8.69 0.03 . 1 . . . . . . . . 4965 1 42 . 1 1 4 4 VAL HA H 1 3.76 0.03 . 1 . . . . . . . . 4965 1 43 . 1 1 4 4 VAL HB H 1 1.91 0.03 . 1 . . . . . . . . 4965 1 44 . 1 1 4 4 VAL HG11 H 1 0.94 0.03 . 2 . . . . . . . . 4965 1 45 . 1 1 4 4 VAL HG12 H 1 0.94 0.03 . 2 . . . . . . . . 4965 1 46 . 1 1 4 4 VAL HG13 H 1 0.94 0.03 . 2 . . . . . . . . 4965 1 47 . 1 1 4 4 VAL HG21 H 1 0.68 0.03 . 2 . . . . . . . . 4965 1 48 . 1 1 4 4 VAL HG22 H 1 0.68 0.03 . 2 . . . . . . . . 4965 1 49 . 1 1 4 4 VAL HG23 H 1 0.68 0.03 . 2 . . . . . . . . 4965 1 50 . 1 1 4 4 VAL C C 13 177.01 0.50 . 1 . . . . . . . . 4965 1 51 . 1 1 4 4 VAL CA C 13 63.96 0.50 . 1 . . . . . . . . 4965 1 52 . 1 1 4 4 VAL CB C 13 33.26 0.50 . 1 . . . . . . . . 4965 1 53 . 1 1 4 4 VAL CG1 C 13 22.43 0.50 . 2 . . . . . . . . 4965 1 54 . 1 1 4 4 VAL CG2 C 13 21.52 0.50 . 2 . . . . . . . . 4965 1 55 . 1 1 4 4 VAL N N 15 127.14 0.25 . 1 . . . . . . . . 4965 1 56 . 1 1 5 5 VAL H H 1 9.18 0.03 . 1 . . . . . . . . 4965 1 57 . 1 1 5 5 VAL HA H 1 4.34 0.03 . 1 . . . . . . . . 4965 1 58 . 1 1 5 5 VAL HB H 1 1.96 0.03 . 1 . . . . . . . . 4965 1 59 . 1 1 5 5 VAL HG11 H 1 0.87 0.03 . 2 . . . . . . . . 4965 1 60 . 1 1 5 5 VAL HG12 H 1 0.87 0.03 . 2 . . . . . . . . 4965 1 61 . 1 1 5 5 VAL HG13 H 1 0.87 0.03 . 2 . . . . . . . . 4965 1 62 . 1 1 5 5 VAL HG21 H 1 0.71 0.03 . 2 . . . . . . . . 4965 1 63 . 1 1 5 5 VAL HG22 H 1 0.71 0.03 . 2 . . . . . . . . 4965 1 64 . 1 1 5 5 VAL HG23 H 1 0.71 0.03 . 2 . . . . . . . . 4965 1 65 . 1 1 5 5 VAL C C 13 175.45 0.50 . 1 . . . . . . . . 4965 1 66 . 1 1 5 5 VAL CA C 13 62.09 0.50 . 1 . . . . . . . . 4965 1 67 . 1 1 5 5 VAL CB C 13 32.89 0.50 . 1 . . . . . . . . 4965 1 68 . 1 1 5 5 VAL CG1 C 13 20.94 0.50 . 2 . . . . . . . . 4965 1 69 . 1 1 5 5 VAL CG2 C 13 19.56 0.50 . 2 . . . . . . . . 4965 1 70 . 1 1 5 5 VAL N N 15 122.84 0.25 . 1 . . . . . . . . 4965 1 71 . 1 1 6 6 ALA H H 1 7.56 0.03 . 1 . . . . . . . . 4965 1 72 . 1 1 6 6 ALA HA H 1 4.31 0.03 . 1 . . . . . . . . 4965 1 73 . 1 1 6 6 ALA HB1 H 1 0.67 0.03 . 1 . . . . . . . . 4965 1 74 . 1 1 6 6 ALA HB2 H 1 0.67 0.03 . 1 . . . . . . . . 4965 1 75 . 1 1 6 6 ALA HB3 H 1 0.67 0.03 . 1 . . . . . . . . 4965 1 76 . 1 1 6 6 ALA C C 13 174.19 0.50 . 1 . . . . . . . . 4965 1 77 . 1 1 6 6 ALA CA C 13 52.29 0.50 . 1 . . . . . . . . 4965 1 78 . 1 1 6 6 ALA CB C 13 21.43 0.50 . 1 . . . . . . . . 4965 1 79 . 1 1 6 6 ALA N N 15 121.30 0.25 . 1 . . . . . . . . 4965 1 80 . 1 1 7 7 VAL H H 1 8.03 0.03 . 1 . . . . . . . . 4965 1 81 . 1 1 7 7 VAL HA H 1 4.82 0.03 . 1 . . . . . . . . 4965 1 82 . 1 1 7 7 VAL HB H 1 1.77 0.03 . 1 . . . . . . . . 4965 1 83 . 1 1 7 7 VAL HG11 H 1 0.84 0.03 . 2 . . . . . . . . 4965 1 84 . 1 1 7 7 VAL HG12 H 1 0.84 0.03 . 2 . . . . . . . . 4965 1 85 . 1 1 7 7 VAL HG13 H 1 0.84 0.03 . 2 . . . . . . . . 4965 1 86 . 1 1 7 7 VAL HG21 H 1 0.68 0.03 . 2 . . . . . . . . 4965 1 87 . 1 1 7 7 VAL HG22 H 1 0.68 0.03 . 2 . . . . . . . . 4965 1 88 . 1 1 7 7 VAL HG23 H 1 0.68 0.03 . 2 . . . . . . . . 4965 1 89 . 1 1 7 7 VAL C C 13 175.91 0.50 . 1 . . . . . . . . 4965 1 90 . 1 1 7 7 VAL CA C 13 61.67 0.50 . 1 . . . . . . . . 4965 1 91 . 1 1 7 7 VAL CB C 13 33.61 0.50 . 1 . . . . . . . . 4965 1 92 . 1 1 7 7 VAL CG1 C 13 20.67 0.50 . 2 . . . . . . . . 4965 1 93 . 1 1 7 7 VAL CG2 C 13 20.55 0.50 . 2 . . . . . . . . 4965 1 94 . 1 1 7 7 VAL N N 15 119.34 0.25 . 1 . . . . . . . . 4965 1 95 . 1 1 8 8 VAL H H 1 9.46 0.03 . 1 . . . . . . . . 4965 1 96 . 1 1 8 8 VAL HA H 1 4.23 0.03 . 1 . . . . . . . . 4965 1 97 . 1 1 8 8 VAL HB H 1 1.76 0.03 . 1 . . . . . . . . 4965 1 98 . 1 1 8 8 VAL HG11 H 1 0.77 0.03 . 2 . . . . . . . . 4965 1 99 . 1 1 8 8 VAL HG12 H 1 0.77 0.03 . 2 . . . . . . . . 4965 1 100 . 1 1 8 8 VAL HG13 H 1 0.77 0.03 . 2 . . . . . . . . 4965 1 101 . 1 1 8 8 VAL HG21 H 1 0.80 0.03 . 2 . . . . . . . . 4965 1 102 . 1 1 8 8 VAL HG22 H 1 0.80 0.03 . 2 . . . . . . . . 4965 1 103 . 1 1 8 8 VAL HG23 H 1 0.80 0.03 . 2 . . . . . . . . 4965 1 104 . 1 1 8 8 VAL C C 13 174.29 0.50 . 1 . . . . . . . . 4965 1 105 . 1 1 8 8 VAL CA C 13 60.99 0.50 . 1 . . . . . . . . 4965 1 106 . 1 1 8 8 VAL CB C 13 34.75 0.50 . 1 . . . . . . . . 4965 1 107 . 1 1 8 8 VAL CG1 C 13 21.11 0.50 . 2 . . . . . . . . 4965 1 108 . 1 1 8 8 VAL CG2 C 13 20.70 0.50 . 2 . . . . . . . . 4965 1 109 . 1 1 8 8 VAL N N 15 128.76 0.25 . 1 . . . . . . . . 4965 1 110 . 1 1 9 9 LYS H H 1 8.65 0.03 . 1 . . . . . . . . 4965 1 111 . 1 1 9 9 LYS HA H 1 5.22 0.03 . 1 . . . . . . . . 4965 1 112 . 1 1 9 9 LYS HB2 H 1 1.69 0.03 . 1 . . . . . . . . 4965 1 113 . 1 1 9 9 LYS HB3 H 1 1.89 0.03 . 1 . . . . . . . . 4965 1 114 . 1 1 9 9 LYS HG3 H 1 1.38 0.03 . 2 . . . . . . . . 4965 1 115 . 1 1 9 9 LYS HG2 H 1 1.21 0.03 . 2 . . . . . . . . 4965 1 116 . 1 1 9 9 LYS HD3 H 1 1.66 0.03 . 2 . . . . . . . . 4965 1 117 . 1 1 9 9 LYS HE3 H 1 2.85 0.03 . 2 . . . . . . . . 4965 1 118 . 1 1 9 9 LYS C C 13 175.42 0.50 . 1 . . . . . . . . 4965 1 119 . 1 1 9 9 LYS CA C 13 55.50 0.50 . 1 . . . . . . . . 4965 1 120 . 1 1 9 9 LYS CB C 13 33.52 0.50 . 1 . . . . . . . . 4965 1 121 . 1 1 9 9 LYS CG C 13 25.58 0.50 . 1 . . . . . . . . 4965 1 122 . 1 1 9 9 LYS CD C 13 29.53 0.50 . 1 . . . . . . . . 4965 1 123 . 1 1 9 9 LYS CE C 13 42.28 0.50 . 1 . . . . . . . . 4965 1 124 . 1 1 9 9 LYS N N 15 127.26 0.25 . 1 . . . . . . . . 4965 1 125 . 1 1 10 10 LEU H H 1 8.47 0.03 . 1 . . . . . . . . 4965 1 126 . 1 1 10 10 LEU HA H 1 4.76 0.03 . 1 . . . . . . . . 4965 1 127 . 1 1 10 10 LEU HB3 H 1 1.23 0.03 . 2 . . . . . . . . 4965 1 128 . 1 1 10 10 LEU HG H 1 1.26 0.03 . 2 . . . . . . . . 4965 1 129 . 1 1 10 10 LEU HD11 H 1 0.43 0.03 . 2 . . . . . . . . 4965 1 130 . 1 1 10 10 LEU HD12 H 1 0.43 0.03 . 2 . . . . . . . . 4965 1 131 . 1 1 10 10 LEU HD13 H 1 0.43 0.03 . 2 . . . . . . . . 4965 1 132 . 1 1 10 10 LEU HD21 H 1 0.74 0.03 . 2 . . . . . . . . 4965 1 133 . 1 1 10 10 LEU HD22 H 1 0.74 0.03 . 2 . . . . . . . . 4965 1 134 . 1 1 10 10 LEU HD23 H 1 0.74 0.03 . 2 . . . . . . . . 4965 1 135 . 1 1 10 10 LEU C C 13 175.36 0.50 . 1 . . . . . . . . 4965 1 136 . 1 1 10 10 LEU CA C 13 52.95 0.50 . 1 . . . . . . . . 4965 1 137 . 1 1 10 10 LEU CB C 13 47.10 0.50 . 1 . . . . . . . . 4965 1 138 . 1 1 10 10 LEU CG C 13 26.70 0.50 . 1 . . . . . . . . 4965 1 139 . 1 1 10 10 LEU CD1 C 13 26.53 0.50 . 2 . . . . . . . . 4965 1 140 . 1 1 10 10 LEU CD2 C 13 23.06 0.50 . 2 . . . . . . . . 4965 1 141 . 1 1 10 10 LEU N N 15 121.67 0.25 . 1 . . . . . . . . 4965 1 142 . 1 1 11 11 GLN H H 1 8.38 0.03 . 1 . . . . . . . . 4965 1 143 . 1 1 11 11 GLN HA H 1 4.96 0.03 . 1 . . . . . . . . 4965 1 144 . 1 1 11 11 GLN HB2 H 1 1.87 0.03 . 1 . . . . . . . . 4965 1 145 . 1 1 11 11 GLN HB3 H 1 1.73 0.03 . 1 . . . . . . . . 4965 1 146 . 1 1 11 11 GLN HG3 H 1 2.27 0.03 . 2 . . . . . . . . 4965 1 147 . 1 1 11 11 GLN HG2 H 1 2.10 0.03 . 2 . . . . . . . . 4965 1 148 . 1 1 11 11 GLN HE21 H 1 7.39 0.03 . 2 . . . . . . . . 4965 1 149 . 1 1 11 11 GLN HE22 H 1 6.70 0.03 . 2 . . . . . . . . 4965 1 150 . 1 1 11 11 GLN C C 13 174.81 0.50 . 1 . . . . . . . . 4965 1 151 . 1 1 11 11 GLN CA C 13 55.39 0.50 . 1 . . . . . . . . 4965 1 152 . 1 1 11 11 GLN CB C 13 29.66 0.50 . 1 . . . . . . . . 4965 1 153 . 1 1 11 11 GLN CG C 13 33.68 0.50 . 1 . . . . . . . . 4965 1 154 . 1 1 11 11 GLN CD C 13 180.07 0.50 . 1 . . . . . . . . 4965 1 155 . 1 1 11 11 GLN N N 15 119.87 0.25 . 1 . . . . . . . . 4965 1 156 . 1 1 11 11 GLN NE2 N 15 110.17 0.25 . 1 . . . . . . . . 4965 1 157 . 1 1 12 12 LEU H H 1 8.27 0.03 . 1 . . . . . . . . 4965 1 158 . 1 1 12 12 LEU HA H 1 4.99 0.03 . 1 . . . . . . . . 4965 1 159 . 1 1 12 12 LEU HB3 H 1 1.40 0.03 . 2 . . . . . . . . 4965 1 160 . 1 1 12 12 LEU HG H 1 1.17 0.03 . 2 . . . . . . . . 4965 1 161 . 1 1 12 12 LEU HD11 H 1 0.05 0.03 . 2 . . . . . . . . 4965 1 162 . 1 1 12 12 LEU HD12 H 1 0.05 0.03 . 2 . . . . . . . . 4965 1 163 . 1 1 12 12 LEU HD13 H 1 0.05 0.03 . 2 . . . . . . . . 4965 1 164 . 1 1 12 12 LEU HD21 H 1 0.80 0.03 . 2 . . . . . . . . 4965 1 165 . 1 1 12 12 LEU HD22 H 1 0.80 0.03 . 2 . . . . . . . . 4965 1 166 . 1 1 12 12 LEU HD23 H 1 0.80 0.03 . 2 . . . . . . . . 4965 1 167 . 1 1 12 12 LEU CA C 13 51.12 0.50 . 1 . . . . . . . . 4965 1 168 . 1 1 12 12 LEU CB C 13 45.61 0.50 . 1 . . . . . . . . 4965 1 169 . 1 1 12 12 LEU CG C 13 26.14 0.50 . 1 . . . . . . . . 4965 1 170 . 1 1 12 12 LEU CD1 C 13 24.89 0.50 . 2 . . . . . . . . 4965 1 171 . 1 1 12 12 LEU CD2 C 13 23.40 0.50 . 2 . . . . . . . . 4965 1 172 . 1 1 12 12 LEU N N 15 122.50 0.25 . 1 . . . . . . . . 4965 1 173 . 1 1 13 13 PRO HA H 1 4.72 0.03 . 1 . . . . . . . . 4965 1 174 . 1 1 13 13 PRO HB3 H 1 2.12 0.03 . 2 . . . . . . . . 4965 1 175 . 1 1 13 13 PRO HB2 H 1 1.87 0.03 . 2 . . . . . . . . 4965 1 176 . 1 1 13 13 PRO HG3 H 1 2.12 0.03 . 2 . . . . . . . . 4965 1 177 . 1 1 13 13 PRO HG2 H 1 2.02 0.03 . 2 . . . . . . . . 4965 1 178 . 1 1 13 13 PRO HD3 H 1 3.74 0.03 . 2 . . . . . . . . 4965 1 179 . 1 1 13 13 PRO HD2 H 1 3.50 0.03 . 2 . . . . . . . . 4965 1 180 . 1 1 13 13 PRO C C 13 176.51 0.50 . 1 . . . . . . . . 4965 1 181 . 1 1 13 13 PRO CA C 13 62.13 0.50 . 1 . . . . . . . . 4965 1 182 . 1 1 13 13 PRO CB C 13 31.51 0.50 . 1 . . . . . . . . 4965 1 183 . 1 1 13 13 PRO CG C 13 27.38 0.50 . 1 . . . . . . . . 4965 1 184 . 1 1 13 13 PRO CD C 13 50.15 0.50 . 1 . . . . . . . . 4965 1 185 . 1 1 14 14 ALA H H 1 8.75 0.03 . 1 . . . . . . . . 4965 1 186 . 1 1 14 14 ALA HA H 1 3.89 0.03 . 1 . . . . . . . . 4965 1 187 . 1 1 14 14 ALA HB1 H 1 1.54 0.03 . 1 . . . . . . . . 4965 1 188 . 1 1 14 14 ALA HB2 H 1 1.54 0.03 . 1 . . . . . . . . 4965 1 189 . 1 1 14 14 ALA HB3 H 1 1.54 0.03 . 1 . . . . . . . . 4965 1 190 . 1 1 14 14 ALA C C 13 179.07 0.50 . 1 . . . . . . . . 4965 1 191 . 1 1 14 14 ALA CA C 13 53.71 0.50 . 1 . . . . . . . . 4965 1 192 . 1 1 14 14 ALA CB C 13 18.93 0.50 . 1 . . . . . . . . 4965 1 193 . 1 1 14 14 ALA N N 15 126.95 0.25 . 1 . . . . . . . . 4965 1 194 . 1 1 15 15 GLY H H 1 8.65 0.03 . 1 . . . . . . . . 4965 1 195 . 1 1 15 15 GLY HA3 H 1 4.04 0.03 . 2 . . . . . . . . 4965 1 196 . 1 1 15 15 GLY HA2 H 1 3.58 0.03 . 2 . . . . . . . . 4965 1 197 . 1 1 15 15 GLY C C 13 174.44 0.50 . 1 . . . . . . . . 4965 1 198 . 1 1 15 15 GLY CA C 13 46.06 0.50 . 1 . . . . . . . . 4965 1 199 . 1 1 15 15 GLY N N 15 108.72 0.25 . 1 . . . . . . . . 4965 1 200 . 1 1 16 16 LYS H H 1 7.70 0.03 . 1 . . . . . . . . 4965 1 201 . 1 1 16 16 LYS HA H 1 4.63 0.03 . 1 . . . . . . . . 4965 1 202 . 1 1 16 16 LYS HB2 H 1 1.31 0.03 . 1 . . . . . . . . 4965 1 203 . 1 1 16 16 LYS HB3 H 1 2.12 0.03 . 1 . . . . . . . . 4965 1 204 . 1 1 16 16 LYS HG3 H 1 1.49 0.03 . 2 . . . . . . . . 4965 1 205 . 1 1 16 16 LYS HD3 H 1 1.68 0.03 . 2 . . . . . . . . 4965 1 206 . 1 1 16 16 LYS HE3 H 1 3.02 0.03 . 2 . . . . . . . . 4965 1 207 . 1 1 16 16 LYS C C 13 176.25 0.50 . 1 . . . . . . . . 4965 1 208 . 1 1 16 16 LYS CA C 13 55.41 0.50 . 1 . . . . . . . . 4965 1 209 . 1 1 16 16 LYS CB C 13 34.03 0.50 . 1 . . . . . . . . 4965 1 210 . 1 1 16 16 LYS CG C 13 24.45 0.50 . 1 . . . . . . . . 4965 1 211 . 1 1 16 16 LYS CD C 13 29.31 0.50 . 1 . . . . . . . . 4965 1 212 . 1 1 16 16 LYS CE C 13 42.41 0.50 . 1 . . . . . . . . 4965 1 213 . 1 1 16 16 LYS N N 15 119.70 0.25 . 1 . . . . . . . . 4965 1 214 . 1 1 17 17 ALA H H 1 9.86 0.03 . 1 . . . . . . . . 4965 1 215 . 1 1 17 17 ALA HA H 1 4.46 0.03 . 1 . . . . . . . . 4965 1 216 . 1 1 17 17 ALA HB1 H 1 1.33 0.03 . 1 . . . . . . . . 4965 1 217 . 1 1 17 17 ALA HB2 H 1 1.33 0.03 . 1 . . . . . . . . 4965 1 218 . 1 1 17 17 ALA HB3 H 1 1.33 0.03 . 1 . . . . . . . . 4965 1 219 . 1 1 17 17 ALA C C 13 177.14 0.50 . 1 . . . . . . . . 4965 1 220 . 1 1 17 17 ALA CA C 13 53.32 0.50 . 1 . . . . . . . . 4965 1 221 . 1 1 17 17 ALA CB C 13 19.57 0.50 . 1 . . . . . . . . 4965 1 222 . 1 1 17 17 ALA N N 15 124.90 0.25 . 1 . . . . . . . . 4965 1 223 . 1 1 18 18 THR H H 1 7.87 0.03 . 1 . . . . . . . . 4965 1 224 . 1 1 18 18 THR HA H 1 4.84 0.03 . 1 . . . . . . . . 4965 1 225 . 1 1 18 18 THR HB H 1 4.62 0.03 . 1 . . . . . . . . 4965 1 226 . 1 1 18 18 THR HG21 H 1 1.24 0.03 . 1 . . . . . . . . 4965 1 227 . 1 1 18 18 THR HG22 H 1 1.24 0.03 . 1 . . . . . . . . 4965 1 228 . 1 1 18 18 THR HG23 H 1 1.24 0.03 . 1 . . . . . . . . 4965 1 229 . 1 1 18 18 THR C C 13 172.10 0.50 . 1 . . . . . . . . 4965 1 230 . 1 1 18 18 THR CA C 13 59.29 0.50 . 1 . . . . . . . . 4965 1 231 . 1 1 18 18 THR CB C 13 69.95 0.50 . 1 . . . . . . . . 4965 1 232 . 1 1 18 18 THR CG2 C 13 21.27 0.50 . 1 . . . . . . . . 4965 1 233 . 1 1 18 18 THR N N 15 111.04 0.25 . 1 . . . . . . . . 4965 1 234 . 1 1 19 19 PRO HA H 1 4.10 0.03 . 1 . . . . . . . . 4965 1 235 . 1 1 19 19 PRO HB3 H 1 2.23 0.03 . 2 . . . . . . . . 4965 1 236 . 1 1 19 19 PRO HB2 H 1 2.00 0.03 . 2 . . . . . . . . 4965 1 237 . 1 1 19 19 PRO HG3 H 1 2.06 0.03 . 2 . . . . . . . . 4965 1 238 . 1 1 19 19 PRO HG2 H 1 1.87 0.03 . 2 . . . . . . . . 4965 1 239 . 1 1 19 19 PRO HD3 H 1 3.86 0.03 . 2 . . . . . . . . 4965 1 240 . 1 1 19 19 PRO HD2 H 1 3.71 0.03 . 2 . . . . . . . . 4965 1 241 . 1 1 19 19 PRO C C 13 176.03 0.50 . 1 . . . . . . . . 4965 1 242 . 1 1 19 19 PRO CA C 13 63.51 0.50 . 1 . . . . . . . . 4965 1 243 . 1 1 19 19 PRO CB C 13 32.35 0.50 . 1 . . . . . . . . 4965 1 244 . 1 1 19 19 PRO CG C 13 27.96 0.50 . 1 . . . . . . . . 4965 1 245 . 1 1 19 19 PRO CD C 13 50.93 0.50 . 1 . . . . . . . . 4965 1 246 . 1 1 20 20 ALA H H 1 7.34 0.03 . 1 . . . . . . . . 4965 1 247 . 1 1 20 20 ALA HA H 1 4.45 0.03 . 1 . . . . . . . . 4965 1 248 . 1 1 20 20 ALA HB1 H 1 1.39 0.03 . 1 . . . . . . . . 4965 1 249 . 1 1 20 20 ALA HB2 H 1 1.39 0.03 . 1 . . . . . . . . 4965 1 250 . 1 1 20 20 ALA HB3 H 1 1.39 0.03 . 1 . . . . . . . . 4965 1 251 . 1 1 20 20 ALA C C 13 175.06 0.50 . 1 . . . . . . . . 4965 1 252 . 1 1 20 20 ALA CA C 13 51.46 0.50 . 1 . . . . . . . . 4965 1 253 . 1 1 20 20 ALA CB C 13 17.12 0.50 . 1 . . . . . . . . 4965 1 254 . 1 1 20 20 ALA N N 15 121.05 0.25 . 1 . . . . . . . . 4965 1 255 . 1 1 22 22 PRO HA H 1 4.53 0.03 . 1 . . . . . . . . 4965 1 256 . 1 1 22 22 PRO HB3 H 1 2.39 0.03 . 2 . . . . . . . . 4965 1 257 . 1 1 22 22 PRO HB2 H 1 2.16 0.03 . 2 . . . . . . . . 4965 1 258 . 1 1 22 22 PRO HG3 H 1 1.56 0.03 . 2 . . . . . . . . 4965 1 259 . 1 1 22 22 PRO HD3 H 1 3.62 0.03 . 2 . . . . . . . . 4965 1 260 . 1 1 22 22 PRO HD2 H 1 3.56 0.03 . 2 . . . . . . . . 4965 1 261 . 1 1 22 22 PRO C C 13 176.92 0.50 . 1 . . . . . . . . 4965 1 262 . 1 1 22 22 PRO CA C 13 64.10 0.50 . 1 . . . . . . . . 4965 1 263 . 1 1 22 22 PRO CB C 13 35.21 0.50 . 1 . . . . . . . . 4965 1 264 . 1 1 22 22 PRO CG C 13 24.78 0.50 . 1 . . . . . . . . 4965 1 265 . 1 1 22 22 PRO CD C 13 49.82 0.50 . 1 . . . . . . . . 4965 1 266 . 1 1 23 23 VAL H H 1 8.14 0.03 . 1 . . . . . . . . 4965 1 267 . 1 1 23 23 VAL HA H 1 3.19 0.03 . 1 . . . . . . . . 4965 1 268 . 1 1 23 23 VAL HB H 1 2.42 0.03 . 1 . . . . . . . . 4965 1 269 . 1 1 23 23 VAL HG11 H 1 1.02 0.03 . 2 . . . . . . . . 4965 1 270 . 1 1 23 23 VAL HG12 H 1 1.02 0.03 . 2 . . . . . . . . 4965 1 271 . 1 1 23 23 VAL HG13 H 1 1.02 0.03 . 2 . . . . . . . . 4965 1 272 . 1 1 23 23 VAL HG21 H 1 0.74 0.03 . 2 . . . . . . . . 4965 1 273 . 1 1 23 23 VAL HG22 H 1 0.74 0.03 . 2 . . . . . . . . 4965 1 274 . 1 1 23 23 VAL HG23 H 1 0.74 0.03 . 2 . . . . . . . . 4965 1 275 . 1 1 23 23 VAL C C 13 177.27 0.50 . 1 . . . . . . . . 4965 1 276 . 1 1 23 23 VAL CA C 13 67.40 0.50 . 1 . . . . . . . . 4965 1 277 . 1 1 23 23 VAL CB C 13 31.73 0.50 . 1 . . . . . . . . 4965 1 278 . 1 1 23 23 VAL CG1 C 13 24.98 0.50 . 2 . . . . . . . . 4965 1 279 . 1 1 23 23 VAL CG2 C 13 21.92 0.50 . 2 . . . . . . . . 4965 1 280 . 1 1 23 23 VAL N N 15 126.56 0.25 . 1 . . . . . . . . 4965 1 281 . 1 1 24 24 GLY H H 1 6.77 0.03 . 1 . . . . . . . . 4965 1 282 . 1 1 24 24 GLY HA3 H 1 4.13 0.03 . 2 . . . . . . . . 4965 1 283 . 1 1 24 24 GLY HA2 H 1 3.72 0.03 . 2 . . . . . . . . 4965 1 284 . 1 1 24 24 GLY C C 13 174.80 0.50 . 1 . . . . . . . . 4965 1 285 . 1 1 24 24 GLY CA C 13 49.09 0.50 . 1 . . . . . . . . 4965 1 286 . 1 1 24 24 GLY N N 15 102.35 0.25 . 1 . . . . . . . . 4965 1 287 . 1 1 25 25 PRO HA H 1 4.28 0.03 . 1 . . . . . . . . 4965 1 288 . 1 1 25 25 PRO HB3 H 1 2.39 0.03 . 2 . . . . . . . . 4965 1 289 . 1 1 25 25 PRO HB2 H 1 1.83 0.03 . 2 . . . . . . . . 4965 1 290 . 1 1 25 25 PRO HG3 H 1 2.06 0.03 . 2 . . . . . . . . 4965 1 291 . 1 1 25 25 PRO HG2 H 1 1.99 0.03 . 2 . . . . . . . . 4965 1 292 . 1 1 25 25 PRO HD3 H 1 3.57 0.03 . 2 . . . . . . . . 4965 1 293 . 1 1 25 25 PRO HD2 H 1 3.33 0.03 . 2 . . . . . . . . 4965 1 294 . 1 1 25 25 PRO C C 13 178.72 0.50 . 1 . . . . . . . . 4965 1 295 . 1 1 25 25 PRO CA C 13 64.56 0.50 . 1 . . . . . . . . 4965 1 296 . 1 1 25 25 PRO CB C 13 31.87 0.50 . 1 . . . . . . . . 4965 1 297 . 1 1 25 25 PRO CG C 13 27.91 0.50 . 1 . . . . . . . . 4965 1 298 . 1 1 25 25 PRO CD C 13 50.56 0.50 . 1 . . . . . . . . 4965 1 299 . 1 1 26 26 ALA H H 1 6.93 0.03 . 1 . . . . . . . . 4965 1 300 . 1 1 26 26 ALA HA H 1 4.15 0.03 . 1 . . . . . . . . 4965 1 301 . 1 1 26 26 ALA HB1 H 1 1.40 0.03 . 1 . . . . . . . . 4965 1 302 . 1 1 26 26 ALA HB2 H 1 1.40 0.03 . 1 . . . . . . . . 4965 1 303 . 1 1 26 26 ALA HB3 H 1 1.40 0.03 . 1 . . . . . . . . 4965 1 304 . 1 1 26 26 ALA C C 13 178.66 0.50 . 1 . . . . . . . . 4965 1 305 . 1 1 26 26 ALA CA C 13 54.56 0.50 . 1 . . . . . . . . 4965 1 306 . 1 1 26 26 ALA CB C 13 18.85 0.50 . 1 . . . . . . . . 4965 1 307 . 1 1 26 26 ALA N N 15 116.79 0.25 . 1 . . . . . . . . 4965 1 308 . 1 1 27 27 LEU H H 1 7.61 0.03 . 1 . . . . . . . . 4965 1 309 . 1 1 27 27 LEU HA H 1 4.13 0.03 . 1 . . . . . . . . 4965 1 310 . 1 1 27 27 LEU HB2 H 1 1.48 0.03 . 1 . . . . . . . . 4965 1 311 . 1 1 27 27 LEU HB3 H 1 1.24 0.03 . 1 . . . . . . . . 4965 1 312 . 1 1 27 27 LEU HG H 1 1.26 0.03 . 2 . . . . . . . . 4965 1 313 . 1 1 27 27 LEU HD11 H 1 0.27 0.03 . 2 . . . . . . . . 4965 1 314 . 1 1 27 27 LEU HD12 H 1 0.27 0.03 . 2 . . . . . . . . 4965 1 315 . 1 1 27 27 LEU HD13 H 1 0.27 0.03 . 2 . . . . . . . . 4965 1 316 . 1 1 27 27 LEU HD21 H 1 0.19 0.03 . 2 . . . . . . . . 4965 1 317 . 1 1 27 27 LEU HD22 H 1 0.19 0.03 . 2 . . . . . . . . 4965 1 318 . 1 1 27 27 LEU HD23 H 1 0.19 0.03 . 2 . . . . . . . . 4965 1 319 . 1 1 27 27 LEU C C 13 179.91 0.50 . 1 . . . . . . . . 4965 1 320 . 1 1 27 27 LEU CA C 13 56.91 0.50 . 1 . . . . . . . . 4965 1 321 . 1 1 27 27 LEU CB C 13 42.27 0.50 . 1 . . . . . . . . 4965 1 322 . 1 1 27 27 LEU CG C 13 29.47 0.50 . 1 . . . . . . . . 4965 1 323 . 1 1 27 27 LEU CD1 C 13 24.69 0.50 . 2 . . . . . . . . 4965 1 324 . 1 1 27 27 LEU CD2 C 13 23.97 0.50 . 2 . . . . . . . . 4965 1 325 . 1 1 27 27 LEU N N 15 113.85 0.25 . 1 . . . . . . . . 4965 1 326 . 1 1 28 28 GLY H H 1 8.84 0.03 . 1 . . . . . . . . 4965 1 327 . 1 1 28 28 GLY HA3 H 1 4.07 0.03 . 2 . . . . . . . . 4965 1 328 . 1 1 28 28 GLY HA2 H 1 3.95 0.03 . 2 . . . . . . . . 4965 1 329 . 1 1 28 28 GLY C C 13 177.73 0.50 . 1 . . . . . . . . 4965 1 330 . 1 1 28 28 GLY CA C 13 47.05 0.50 . 1 . . . . . . . . 4965 1 331 . 1 1 28 28 GLY N N 15 108.91 0.25 . 1 . . . . . . . . 4965 1 332 . 1 1 29 29 GLN H H 1 7.43 0.03 . 1 . . . . . . . . 4965 1 333 . 1 1 29 29 GLN HA H 1 4.04 0.03 . 1 . . . . . . . . 4965 1 334 . 1 1 29 29 GLN HB2 H 1 1.57 0.03 . 1 . . . . . . . . 4965 1 335 . 1 1 29 29 GLN HB3 H 1 1.98 0.03 . 1 . . . . . . . . 4965 1 336 . 1 1 29 29 GLN HG3 H 1 1.93 0.03 . 2 . . . . . . . . 4965 1 337 . 1 1 29 29 GLN HG2 H 1 1.51 0.03 . 2 . . . . . . . . 4965 1 338 . 1 1 29 29 GLN HE21 H 1 7.37 0.03 . 2 . . . . . . . . 4965 1 339 . 1 1 29 29 GLN HE22 H 1 6.77 0.03 . 2 . . . . . . . . 4965 1 340 . 1 1 29 29 GLN C C 13 175.78 0.50 . 1 . . . . . . . . 4965 1 341 . 1 1 29 29 GLN CA C 13 57.83 0.50 . 1 . . . . . . . . 4965 1 342 . 1 1 29 29 GLN CB C 13 27.95 0.50 . 1 . . . . . . . . 4965 1 343 . 1 1 29 29 GLN CG C 13 32.53 0.50 . 1 . . . . . . . . 4965 1 344 . 1 1 29 29 GLN CD C 13 179.91 0.50 . 1 . . . . . . . . 4965 1 345 . 1 1 29 29 GLN N N 15 118.44 0.25 . 1 . . . . . . . . 4965 1 346 . 1 1 29 29 GLN NE2 N 15 111.35 0.25 . 1 . . . . . . . . 4965 1 347 . 1 1 30 30 HIS H H 1 6.78 0.03 . 1 . . . . . . . . 4965 1 348 . 1 1 30 30 HIS HA H 1 4.82 0.03 . 1 . . . . . . . . 4965 1 349 . 1 1 30 30 HIS HB2 H 1 3.34 0.03 . 1 . . . . . . . . 4965 1 350 . 1 1 30 30 HIS HB3 H 1 2.60 0.03 . 1 . . . . . . . . 4965 1 351 . 1 1 30 30 HIS HD2 H 1 6.99 0.03 . 1 . . . . . . . . 4965 1 352 . 1 1 30 30 HIS HE1 H 1 7.70 0.03 . 1 . . . . . . . . 4965 1 353 . 1 1 30 30 HIS C C 13 175.35 0.50 . 1 . . . . . . . . 4965 1 354 . 1 1 30 30 HIS CA C 13 55.09 0.50 . 1 . . . . . . . . 4965 1 355 . 1 1 30 30 HIS CB C 13 32.91 0.50 . 1 . . . . . . . . 4965 1 356 . 1 1 30 30 HIS CD2 C 13 119.47 0.50 . 1 . . . . . . . . 4965 1 357 . 1 1 30 30 HIS CE1 C 13 138.99 0.50 . 1 . . . . . . . . 4965 1 358 . 1 1 30 30 HIS N N 15 114.11 0.25 . 1 . . . . . . . . 4965 1 359 . 1 1 31 31 GLY H H 1 7.75 0.03 . 1 . . . . . . . . 4965 1 360 . 1 1 31 31 GLY HA3 H 1 4.09 0.03 . 2 . . . . . . . . 4965 1 361 . 1 1 31 31 GLY HA2 H 1 3.91 0.03 . 2 . . . . . . . . 4965 1 362 . 1 1 31 31 GLY C C 13 173.94 0.50 . 1 . . . . . . . . 4965 1 363 . 1 1 31 31 GLY CA C 13 46.00 0.50 . 1 . . . . . . . . 4965 1 364 . 1 1 31 31 GLY N N 15 105.63 0.25 . 1 . . . . . . . . 4965 1 365 . 1 1 32 32 ALA H H 1 7.11 0.03 . 1 . . . . . . . . 4965 1 366 . 1 1 32 32 ALA HA H 1 4.63 0.03 . 1 . . . . . . . . 4965 1 367 . 1 1 32 32 ALA HB1 H 1 1.23 0.03 . 1 . . . . . . . . 4965 1 368 . 1 1 32 32 ALA HB2 H 1 1.23 0.03 . 1 . . . . . . . . 4965 1 369 . 1 1 32 32 ALA HB3 H 1 1.23 0.03 . 1 . . . . . . . . 4965 1 370 . 1 1 32 32 ALA C C 13 176.11 0.50 . 1 . . . . . . . . 4965 1 371 . 1 1 32 32 ALA CA C 13 51.34 0.50 . 1 . . . . . . . . 4965 1 372 . 1 1 32 32 ALA CB C 13 19.82 0.50 . 1 . . . . . . . . 4965 1 373 . 1 1 32 32 ALA N N 15 119.70 0.25 . 1 . . . . . . . . 4965 1 374 . 1 1 33 33 ASN H H 1 9.31 0.03 . 1 . . . . . . . . 4965 1 375 . 1 1 33 33 ASN HA H 1 4.58 0.03 . 1 . . . . . . . . 4965 1 376 . 1 1 33 33 ASN HB2 H 1 2.83 0.03 . 1 . . . . . . . . 4965 1 377 . 1 1 33 33 ASN HB3 H 1 3.34 0.03 . 1 . . . . . . . . 4965 1 378 . 1 1 33 33 ASN HD21 H 1 7.87 0.03 . 2 . . . . . . . . 4965 1 379 . 1 1 33 33 ASN HD22 H 1 6.97 0.03 . 2 . . . . . . . . 4965 1 380 . 1 1 33 33 ASN C C 13 174.76 0.50 . 1 . . . . . . . . 4965 1 381 . 1 1 33 33 ASN CA C 13 53.79 0.50 . 1 . . . . . . . . 4965 1 382 . 1 1 33 33 ASN CB C 13 37.81 0.50 . 1 . . . . . . . . 4965 1 383 . 1 1 33 33 ASN CG C 13 177.50 0.50 . 1 . . . . . . . . 4965 1 384 . 1 1 33 33 ASN N N 15 119.48 0.25 . 1 . . . . . . . . 4965 1 385 . 1 1 33 33 ASN ND2 N 15 113.50 0.25 . 1 . . . . . . . . 4965 1 386 . 1 1 34 34 ILE H H 1 7.92 0.03 . 1 . . . . . . . . 4965 1 387 . 1 1 34 34 ILE HA H 1 3.32 0.03 . 1 . . . . . . . . 4965 1 388 . 1 1 34 34 ILE HB H 1 1.78 0.03 . 1 . . . . . . . . 4965 1 389 . 1 1 34 34 ILE HG13 H 1 1.78 0.03 . 2 . . . . . . . . 4965 1 390 . 1 1 34 34 ILE HG12 H 1 1.08 0.03 . 2 . . . . . . . . 4965 1 391 . 1 1 34 34 ILE HG21 H 1 0.91 0.03 . 1 . . . . . . . . 4965 1 392 . 1 1 34 34 ILE HG22 H 1 0.91 0.03 . 1 . . . . . . . . 4965 1 393 . 1 1 34 34 ILE HG23 H 1 0.91 0.03 . 1 . . . . . . . . 4965 1 394 . 1 1 34 34 ILE HD11 H 1 1.03 0.03 . 1 . . . . . . . . 4965 1 395 . 1 1 34 34 ILE HD12 H 1 1.03 0.03 . 1 . . . . . . . . 4965 1 396 . 1 1 34 34 ILE HD13 H 1 1.03 0.03 . 1 . . . . . . . . 4965 1 397 . 1 1 34 34 ILE C C 13 177.50 0.50 . 1 . . . . . . . . 4965 1 398 . 1 1 34 34 ILE CA C 13 65.50 0.50 . 1 . . . . . . . . 4965 1 399 . 1 1 34 34 ILE CB C 13 39.25 0.50 . 1 . . . . . . . . 4965 1 400 . 1 1 34 34 ILE CG1 C 13 29.42 0.50 . 1 . . . . . . . . 4965 1 401 . 1 1 34 34 ILE CG2 C 13 18.61 0.50 . 1 . . . . . . . . 4965 1 402 . 1 1 34 34 ILE CD1 C 13 14.62 0.50 . 1 . . . . . . . . 4965 1 403 . 1 1 34 34 ILE N N 15 126.87 0.25 . 1 . . . . . . . . 4965 1 404 . 1 1 35 35 MET H H 1 8.28 0.03 . 1 . . . . . . . . 4965 1 405 . 1 1 35 35 MET HA H 1 4.34 0.03 . 1 . . . . . . . . 4965 1 406 . 1 1 35 35 MET HB2 H 1 2.12 0.03 . 1 . . . . . . . . 4965 1 407 . 1 1 35 35 MET HB3 H 1 2.23 0.03 . 1 . . . . . . . . 4965 1 408 . 1 1 35 35 MET HG3 H 1 2.78 0.03 . 2 . . . . . . . . 4965 1 409 . 1 1 35 35 MET HG2 H 1 2.66 0.03 . 2 . . . . . . . . 4965 1 410 . 1 1 35 35 MET HE1 H 1 2.12 0.03 . 1 . . . . . . . . 4965 1 411 . 1 1 35 35 MET HE2 H 1 2.12 0.03 . 1 . . . . . . . . 4965 1 412 . 1 1 35 35 MET HE3 H 1 2.12 0.03 . 1 . . . . . . . . 4965 1 413 . 1 1 35 35 MET C C 13 179.28 0.50 . 1 . . . . . . . . 4965 1 414 . 1 1 35 35 MET CA C 13 57.09 0.50 . 1 . . . . . . . . 4965 1 415 . 1 1 35 35 MET CB C 13 30.24 0.50 . 1 . . . . . . . . 4965 1 416 . 1 1 35 35 MET CG C 13 32.43 0.50 . 1 . . . . . . . . 4965 1 417 . 1 1 35 35 MET CE C 13 16.11 0.50 . 1 . . . . . . . . 4965 1 418 . 1 1 35 35 MET N N 15 116.12 0.25 . 1 . . . . . . . . 4965 1 419 . 1 1 36 36 GLU H H 1 8.03 0.03 . 1 . . . . . . . . 4965 1 420 . 1 1 36 36 GLU HA H 1 4.10 0.03 . 1 . . . . . . . . 4965 1 421 . 1 1 36 36 GLU HB2 H 1 2.20 0.03 . 1 . . . . . . . . 4965 1 422 . 1 1 36 36 GLU HB3 H 1 2.39 0.03 . 1 . . . . . . . . 4965 1 423 . 1 1 36 36 GLU HG3 H 1 2.50 0.03 . 2 . . . . . . . . 4965 1 424 . 1 1 36 36 GLU HG2 H 1 2.37 0.03 . 2 . . . . . . . . 4965 1 425 . 1 1 36 36 GLU C C 13 179.86 0.50 . 1 . . . . . . . . 4965 1 426 . 1 1 36 36 GLU CA C 13 59.27 0.50 . 1 . . . . . . . . 4965 1 427 . 1 1 36 36 GLU CB C 13 29.55 0.50 . 1 . . . . . . . . 4965 1 428 . 1 1 36 36 GLU CG C 13 36.37 0.50 . 1 . . . . . . . . 4965 1 429 . 1 1 36 36 GLU CD C 13 182.91 0.50 . 1 . . . . . . . . 4965 1 430 . 1 1 36 36 GLU N N 15 119.51 0.25 . 1 . . . . . . . . 4965 1 431 . 1 1 37 37 PHE H H 1 7.84 0.03 . 1 . . . . . . . . 4965 1 432 . 1 1 37 37 PHE HA H 1 3.98 0.03 . 1 . . . . . . . . 4965 1 433 . 1 1 37 37 PHE HB3 H 1 2.60 0.03 . 2 . . . . . . . . 4965 1 434 . 1 1 37 37 PHE HB2 H 1 2.11 0.03 . 2 . . . . . . . . 4965 1 435 . 1 1 37 37 PHE HD1 H 1 6.47 0.03 . 3 . . . . . . . . 4965 1 436 . 1 1 37 37 PHE HZ H 1 6.26 0.03 . 1 . . . . . . . . 4965 1 437 . 1 1 37 37 PHE C C 13 175.15 0.50 . 1 . . . . . . . . 4965 1 438 . 1 1 37 37 PHE CA C 13 62.27 0.50 . 1 . . . . . . . . 4965 1 439 . 1 1 37 37 PHE CB C 13 37.67 0.50 . 1 . . . . . . . . 4965 1 440 . 1 1 37 37 PHE CD1 C 13 131.58 0.50 . 3 . . . . . . . . 4965 1 441 . 1 1 37 37 PHE CZ C 13 129.52 0.50 . 1 . . . . . . . . 4965 1 442 . 1 1 37 37 PHE N N 15 119.57 0.25 . 1 . . . . . . . . 4965 1 443 . 1 1 38 38 VAL H H 1 8.40 0.03 . 1 . . . . . . . . 4965 1 444 . 1 1 38 38 VAL HA H 1 2.69 0.03 . 1 . . . . . . . . 4965 1 445 . 1 1 38 38 VAL HB H 1 2.07 0.03 . 1 . . . . . . . . 4965 1 446 . 1 1 38 38 VAL HG11 H 1 0.79 0.03 . 2 . . . . . . . . 4965 1 447 . 1 1 38 38 VAL HG12 H 1 0.79 0.03 . 2 . . . . . . . . 4965 1 448 . 1 1 38 38 VAL HG13 H 1 0.79 0.03 . 2 . . . . . . . . 4965 1 449 . 1 1 38 38 VAL HG21 H 1 0.71 0.03 . 2 . . . . . . . . 4965 1 450 . 1 1 38 38 VAL HG22 H 1 0.71 0.03 . 2 . . . . . . . . 4965 1 451 . 1 1 38 38 VAL HG23 H 1 0.71 0.03 . 2 . . . . . . . . 4965 1 452 . 1 1 38 38 VAL C C 13 177.06 0.50 . 1 . . . . . . . . 4965 1 453 . 1 1 38 38 VAL CA C 13 67.32 0.50 . 1 . . . . . . . . 4965 1 454 . 1 1 38 38 VAL CB C 13 31.72 0.50 . 1 . . . . . . . . 4965 1 455 . 1 1 38 38 VAL CG1 C 13 23.49 0.50 . 2 . . . . . . . . 4965 1 456 . 1 1 38 38 VAL CG2 C 13 21.97 0.50 . 2 . . . . . . . . 4965 1 457 . 1 1 38 38 VAL N N 15 119.41 0.25 . 1 . . . . . . . . 4965 1 458 . 1 1 39 39 LYS H H 1 7.92 0.03 . 1 . . . . . . . . 4965 1 459 . 1 1 39 39 LYS HA H 1 3.96 0.03 . 1 . . . . . . . . 4965 1 460 . 1 1 39 39 LYS HB3 H 1 1.87 0.03 . 2 . . . . . . . . 4965 1 461 . 1 1 39 39 LYS HG3 H 1 1.63 0.03 . 2 . . . . . . . . 4965 1 462 . 1 1 39 39 LYS HG2 H 1 1.44 0.03 . 2 . . . . . . . . 4965 1 463 . 1 1 39 39 LYS HD3 H 1 1.70 0.03 . 2 . . . . . . . . 4965 1 464 . 1 1 39 39 LYS HE3 H 1 2.96 0.03 . 2 . . . . . . . . 4965 1 465 . 1 1 39 39 LYS C C 13 179.70 0.50 . 1 . . . . . . . . 4965 1 466 . 1 1 39 39 LYS CA C 13 59.61 0.50 . 1 . . . . . . . . 4965 1 467 . 1 1 39 39 LYS CB C 13 32.79 0.50 . 1 . . . . . . . . 4965 1 468 . 1 1 39 39 LYS CG C 13 25.11 0.50 . 1 . . . . . . . . 4965 1 469 . 1 1 39 39 LYS CD C 13 29.51 0.50 . 1 . . . . . . . . 4965 1 470 . 1 1 39 39 LYS CE C 13 42.00 0.50 . 1 . . . . . . . . 4965 1 471 . 1 1 39 39 LYS N N 15 116.19 0.25 . 1 . . . . . . . . 4965 1 472 . 1 1 40 40 ALA H H 1 7.88 0.03 . 1 . . . . . . . . 4965 1 473 . 1 1 40 40 ALA HA H 1 4.28 0.03 . 1 . . . . . . . . 4965 1 474 . 1 1 40 40 ALA HB1 H 1 1.81 0.03 . 1 . . . . . . . . 4965 1 475 . 1 1 40 40 ALA HB2 H 1 1.81 0.03 . 1 . . . . . . . . 4965 1 476 . 1 1 40 40 ALA HB3 H 1 1.81 0.03 . 1 . . . . . . . . 4965 1 477 . 1 1 40 40 ALA C C 13 181.11 0.50 . 1 . . . . . . . . 4965 1 478 . 1 1 40 40 ALA CA C 13 55.04 0.50 . 1 . . . . . . . . 4965 1 479 . 1 1 40 40 ALA CB C 13 19.11 0.50 . 1 . . . . . . . . 4965 1 480 . 1 1 40 40 ALA N N 15 121.78 0.25 . 1 . . . . . . . . 4965 1 481 . 1 1 41 41 PHE H H 1 9.10 0.03 . 1 . . . . . . . . 4965 1 482 . 1 1 41 41 PHE HA H 1 3.60 0.03 . 1 . . . . . . . . 4965 1 483 . 1 1 41 41 PHE HB3 H 1 1.95 0.03 . 2 . . . . . . . . 4965 1 484 . 1 1 41 41 PHE HB2 H 1 1.47 0.03 . 2 . . . . . . . . 4965 1 485 . 1 1 41 41 PHE HD1 H 1 7.44 0.03 . 3 . . . . . . . . 4965 1 486 . 1 1 41 41 PHE HE1 H 1 7.30 0.03 . 3 . . . . . . . . 4965 1 487 . 1 1 41 41 PHE HZ H 1 7.10 0.03 . 1 . . . . . . . . 4965 1 488 . 1 1 41 41 PHE C C 13 178.97 0.50 . 1 . . . . . . . . 4965 1 489 . 1 1 41 41 PHE CA C 13 61.95 0.50 . 1 . . . . . . . . 4965 1 490 . 1 1 41 41 PHE CB C 13 38.33 0.50 . 1 . . . . . . . . 4965 1 491 . 1 1 41 41 PHE CD1 C 13 131.24 0.50 . 3 . . . . . . . . 4965 1 492 . 1 1 41 41 PHE CE1 C 13 132.04 0.50 . 3 . . . . . . . . 4965 1 493 . 1 1 41 41 PHE CZ C 13 129.57 0.50 . 1 . . . . . . . . 4965 1 494 . 1 1 41 41 PHE N N 15 121.37 0.25 . 1 . . . . . . . . 4965 1 495 . 1 1 42 42 ASN H H 1 8.59 0.03 . 1 . . . . . . . . 4965 1 496 . 1 1 42 42 ASN HA H 1 4.17 0.03 . 1 . . . . . . . . 4965 1 497 . 1 1 42 42 ASN HB2 H 1 2.63 0.03 . 1 . . . . . . . . 4965 1 498 . 1 1 42 42 ASN HB3 H 1 2.83 0.03 . 1 . . . . . . . . 4965 1 499 . 1 1 42 42 ASN HD21 H 1 7.18 0.03 . 2 . . . . . . . . 4965 1 500 . 1 1 42 42 ASN HD22 H 1 7.10 0.03 . 2 . . . . . . . . 4965 1 501 . 1 1 42 42 ASN C C 13 177.58 0.50 . 1 . . . . . . . . 4965 1 502 . 1 1 42 42 ASN CA C 13 55.78 0.50 . 1 . . . . . . . . 4965 1 503 . 1 1 42 42 ASN CB C 13 36.04 0.50 . 1 . . . . . . . . 4965 1 504 . 1 1 42 42 ASN CG C 13 174.51 0.50 . 1 . . . . . . . . 4965 1 505 . 1 1 42 42 ASN N N 15 121.74 0.25 . 1 . . . . . . . . 4965 1 506 . 1 1 42 42 ASN ND2 N 15 106.63 0.25 . 1 . . . . . . . . 4965 1 507 . 1 1 43 43 ALA H H 1 7.74 0.03 . 1 . . . . . . . . 4965 1 508 . 1 1 43 43 ALA HA H 1 4.23 0.03 . 1 . . . . . . . . 4965 1 509 . 1 1 43 43 ALA HB1 H 1 1.52 0.03 . 1 . . . . . . . . 4965 1 510 . 1 1 43 43 ALA HB2 H 1 1.52 0.03 . 1 . . . . . . . . 4965 1 511 . 1 1 43 43 ALA HB3 H 1 1.52 0.03 . 1 . . . . . . . . 4965 1 512 . 1 1 43 43 ALA C C 13 180.29 0.50 . 1 . . . . . . . . 4965 1 513 . 1 1 43 43 ALA CA C 13 54.81 0.50 . 1 . . . . . . . . 4965 1 514 . 1 1 43 43 ALA CB C 13 18.18 0.50 . 1 . . . . . . . . 4965 1 515 . 1 1 43 43 ALA N N 15 120.68 0.25 . 1 . . . . . . . . 4965 1 516 . 1 1 44 44 ALA H H 1 7.82 0.03 . 1 . . . . . . . . 4965 1 517 . 1 1 44 44 ALA HA H 1 4.30 0.03 . 1 . . . . . . . . 4965 1 518 . 1 1 44 44 ALA HB1 H 1 1.66 0.03 . 1 . . . . . . . . 4965 1 519 . 1 1 44 44 ALA HB2 H 1 1.66 0.03 . 1 . . . . . . . . 4965 1 520 . 1 1 44 44 ALA HB3 H 1 1.66 0.03 . 1 . . . . . . . . 4965 1 521 . 1 1 44 44 ALA C C 13 179.55 0.50 . 1 . . . . . . . . 4965 1 522 . 1 1 44 44 ALA CA C 13 54.25 0.50 . 1 . . . . . . . . 4965 1 523 . 1 1 44 44 ALA CB C 13 18.95 0.50 . 1 . . . . . . . . 4965 1 524 . 1 1 44 44 ALA N N 15 118.40 0.25 . 1 . . . . . . . . 4965 1 525 . 1 1 45 45 THR H H 1 7.38 0.03 . 1 . . . . . . . . 4965 1 526 . 1 1 45 45 THR HA H 1 4.46 0.03 . 1 . . . . . . . . 4965 1 527 . 1 1 45 45 THR HB H 1 4.31 0.03 . 1 . . . . . . . . 4965 1 528 . 1 1 45 45 THR HG21 H 1 0.71 0.03 . 1 . . . . . . . . 4965 1 529 . 1 1 45 45 THR HG22 H 1 0.71 0.03 . 1 . . . . . . . . 4965 1 530 . 1 1 45 45 THR HG23 H 1 0.71 0.03 . 1 . . . . . . . . 4965 1 531 . 1 1 45 45 THR C C 13 174.91 0.50 . 1 . . . . . . . . 4965 1 532 . 1 1 45 45 THR CA C 13 60.97 0.50 . 1 . . . . . . . . 4965 1 533 . 1 1 45 45 THR CB C 13 69.60 0.50 . 1 . . . . . . . . 4965 1 534 . 1 1 45 45 THR CG2 C 13 20.67 0.50 . 1 . . . . . . . . 4965 1 535 . 1 1 45 45 THR N N 15 103.52 0.25 . 1 . . . . . . . . 4965 1 536 . 1 1 46 46 ALA H H 1 7.02 0.03 . 1 . . . . . . . . 4965 1 537 . 1 1 46 46 ALA HA H 1 3.96 0.03 . 1 . . . . . . . . 4965 1 538 . 1 1 46 46 ALA HB1 H 1 1.54 0.03 . 1 . . . . . . . . 4965 1 539 . 1 1 46 46 ALA HB2 H 1 1.54 0.03 . 1 . . . . . . . . 4965 1 540 . 1 1 46 46 ALA HB3 H 1 1.54 0.03 . 1 . . . . . . . . 4965 1 541 . 1 1 46 46 ALA C C 13 178.11 0.50 . 1 . . . . . . . . 4965 1 542 . 1 1 46 46 ALA CA C 13 54.78 0.50 . 1 . . . . . . . . 4965 1 543 . 1 1 46 46 ALA CB C 13 19.10 0.50 . 1 . . . . . . . . 4965 1 544 . 1 1 46 46 ALA N N 15 124.00 0.25 . 1 . . . . . . . . 4965 1 545 . 1 1 47 47 ASN H H 1 8.52 0.03 . 1 . . . . . . . . 4965 1 546 . 1 1 47 47 ASN HA H 1 4.89 0.03 . 1 . . . . . . . . 4965 1 547 . 1 1 47 47 ASN HB2 H 1 2.94 0.03 . 1 . . . . . . . . 4965 1 548 . 1 1 47 47 ASN HB3 H 1 2.77 0.03 . 1 . . . . . . . . 4965 1 549 . 1 1 47 47 ASN HD21 H 1 7.59 0.03 . 2 . . . . . . . . 4965 1 550 . 1 1 47 47 ASN HD22 H 1 6.91 0.03 . 2 . . . . . . . . 4965 1 551 . 1 1 47 47 ASN C C 13 175.75 0.50 . 1 . . . . . . . . 4965 1 552 . 1 1 47 47 ASN CA C 13 53.07 0.50 . 1 . . . . . . . . 4965 1 553 . 1 1 47 47 ASN CB C 13 38.08 0.50 . 1 . . . . . . . . 4965 1 554 . 1 1 47 47 ASN CG C 13 177.54 0.50 . 1 . . . . . . . . 4965 1 555 . 1 1 47 47 ASN N N 15 112.71 0.25 . 1 . . . . . . . . 4965 1 556 . 1 1 47 47 ASN ND2 N 15 112.68 0.25 . 1 . . . . . . . . 4965 1 557 . 1 1 48 48 MET H H 1 7.71 0.03 . 1 . . . . . . . . 4965 1 558 . 1 1 48 48 MET HA H 1 4.38 0.03 . 1 . . . . . . . . 4965 1 559 . 1 1 48 48 MET HB3 H 1 2.19 0.03 . 2 . . . . . . . . 4965 1 560 . 1 1 48 48 MET HB2 H 1 1.83 0.03 . 2 . . . . . . . . 4965 1 561 . 1 1 48 48 MET HE1 H 1 2.10 0.03 . 1 . . . . . . . . 4965 1 562 . 1 1 48 48 MET HE2 H 1 2.10 0.03 . 1 . . . . . . . . 4965 1 563 . 1 1 48 48 MET HE3 H 1 2.10 0.03 . 1 . . . . . . . . 4965 1 564 . 1 1 48 48 MET C C 13 175.76 0.50 . 1 . . . . . . . . 4965 1 565 . 1 1 48 48 MET CA C 13 56.22 0.50 . 1 . . . . . . . . 4965 1 566 . 1 1 48 48 MET CB C 13 32.98 0.50 . 1 . . . . . . . . 4965 1 567 . 1 1 48 48 MET CE C 13 17.49 0.50 . 1 . . . . . . . . 4965 1 568 . 1 1 48 48 MET N N 15 116.90 0.25 . 1 . . . . . . . . 4965 1 569 . 1 1 49 49 GLY H H 1 8.10 0.03 . 1 . . . . . . . . 4965 1 570 . 1 1 49 49 GLY HA3 H 1 3.92 0.03 . 2 . . . . . . . . 4965 1 571 . 1 1 49 49 GLY HA2 H 1 3.72 0.03 . 2 . . . . . . . . 4965 1 572 . 1 1 49 49 GLY C C 13 173.70 0.50 . 1 . . . . . . . . 4965 1 573 . 1 1 49 49 GLY CA C 13 46.30 0.50 . 1 . . . . . . . . 4965 1 574 . 1 1 49 49 GLY N N 15 108.32 0.25 . 1 . . . . . . . . 4965 1 575 . 1 1 50 50 ASP H H 1 8.40 0.03 . 1 . . . . . . . . 4965 1 576 . 1 1 50 50 ASP HA H 1 4.88 0.03 . 1 . . . . . . . . 4965 1 577 . 1 1 50 50 ASP HB2 H 1 2.77 0.03 . 1 . . . . . . . . 4965 1 578 . 1 1 50 50 ASP HB3 H 1 2.67 0.03 . 1 . . . . . . . . 4965 1 579 . 1 1 50 50 ASP C C 13 175.46 0.50 . 1 . . . . . . . . 4965 1 580 . 1 1 50 50 ASP CA C 13 53.52 0.50 . 1 . . . . . . . . 4965 1 581 . 1 1 50 50 ASP CB C 13 40.29 0.50 . 1 . . . . . . . . 4965 1 582 . 1 1 50 50 ASP CG C 13 181.09 0.50 . 1 . . . . . . . . 4965 1 583 . 1 1 50 50 ASP N N 15 122.49 0.25 . 1 . . . . . . . . 4965 1 584 . 1 1 51 51 ALA H H 1 7.40 0.03 . 1 . . . . . . . . 4965 1 585 . 1 1 51 51 ALA HA H 1 4.16 0.03 . 1 . . . . . . . . 4965 1 586 . 1 1 51 51 ALA HB1 H 1 1.19 0.03 . 1 . . . . . . . . 4965 1 587 . 1 1 51 51 ALA HB2 H 1 1.19 0.03 . 1 . . . . . . . . 4965 1 588 . 1 1 51 51 ALA HB3 H 1 1.19 0.03 . 1 . . . . . . . . 4965 1 589 . 1 1 51 51 ALA C C 13 175.81 0.50 . 1 . . . . . . . . 4965 1 590 . 1 1 51 51 ALA CA C 13 52.31 0.50 . 1 . . . . . . . . 4965 1 591 . 1 1 51 51 ALA CB C 13 20.31 0.50 . 1 . . . . . . . . 4965 1 592 . 1 1 51 51 ALA N N 15 122.80 0.25 . 1 . . . . . . . . 4965 1 593 . 1 1 52 52 ILE H H 1 7.82 0.03 . 1 . . . . . . . . 4965 1 594 . 1 1 52 52 ILE HA H 1 4.33 0.03 . 1 . . . . . . . . 4965 1 595 . 1 1 52 52 ILE HB H 1 1.72 0.03 . 1 . . . . . . . . 4965 1 596 . 1 1 52 52 ILE HG13 H 1 1.44 0.03 . 2 . . . . . . . . 4965 1 597 . 1 1 52 52 ILE HG12 H 1 1.21 0.03 . 2 . . . . . . . . 4965 1 598 . 1 1 52 52 ILE HG21 H 1 0.64 0.03 . 1 . . . . . . . . 4965 1 599 . 1 1 52 52 ILE HG22 H 1 0.64 0.03 . 1 . . . . . . . . 4965 1 600 . 1 1 52 52 ILE HG23 H 1 0.64 0.03 . 1 . . . . . . . . 4965 1 601 . 1 1 52 52 ILE HD11 H 1 0.74 0.03 . 1 . . . . . . . . 4965 1 602 . 1 1 52 52 ILE HD12 H 1 0.74 0.03 . 1 . . . . . . . . 4965 1 603 . 1 1 52 52 ILE HD13 H 1 0.74 0.03 . 1 . . . . . . . . 4965 1 604 . 1 1 52 52 ILE C C 13 175.97 0.50 . 1 . . . . . . . . 4965 1 605 . 1 1 52 52 ILE CA C 13 59.84 0.50 . 1 . . . . . . . . 4965 1 606 . 1 1 52 52 ILE CB C 13 36.88 0.50 . 1 . . . . . . . . 4965 1 607 . 1 1 52 52 ILE CG1 C 13 27.06 0.50 . 1 . . . . . . . . 4965 1 608 . 1 1 52 52 ILE CG2 C 13 18.00 0.50 . 1 . . . . . . . . 4965 1 609 . 1 1 52 52 ILE CD1 C 13 10.78 0.50 . 1 . . . . . . . . 4965 1 610 . 1 1 52 52 ILE N N 15 121.04 0.25 . 1 . . . . . . . . 4965 1 611 . 1 1 53 53 VAL H H 1 9.44 0.03 . 1 . . . . . . . . 4965 1 612 . 1 1 53 53 VAL HA H 1 4.64 0.03 . 1 . . . . . . . . 4965 1 613 . 1 1 53 53 VAL HB H 1 2.47 0.03 . 1 . . . . . . . . 4965 1 614 . 1 1 53 53 VAL HG11 H 1 1.08 0.03 . 1 . . . . . . . . 4965 1 615 . 1 1 53 53 VAL HG12 H 1 1.08 0.03 . 1 . . . . . . . . 4965 1 616 . 1 1 53 53 VAL HG13 H 1 1.08 0.03 . 1 . . . . . . . . 4965 1 617 . 1 1 53 53 VAL HG21 H 1 1.08 0.03 . 1 . . . . . . . . 4965 1 618 . 1 1 53 53 VAL HG22 H 1 1.08 0.03 . 1 . . . . . . . . 4965 1 619 . 1 1 53 53 VAL HG23 H 1 1.08 0.03 . 1 . . . . . . . . 4965 1 620 . 1 1 53 53 VAL C C 13 173.60 0.50 . 1 . . . . . . . . 4965 1 621 . 1 1 53 53 VAL CA C 13 59.18 0.50 . 1 . . . . . . . . 4965 1 622 . 1 1 53 53 VAL CB C 13 34.74 0.50 . 1 . . . . . . . . 4965 1 623 . 1 1 53 53 VAL CG1 C 13 21.61 0.50 . 2 . . . . . . . . 4965 1 624 . 1 1 53 53 VAL CG2 C 13 20.85 0.50 . 2 . . . . . . . . 4965 1 625 . 1 1 53 53 VAL N N 15 127.86 0.25 . 1 . . . . . . . . 4965 1 626 . 1 1 54 54 PRO HA H 1 5.04 0.03 . 1 . . . . . . . . 4965 1 627 . 1 1 54 54 PRO HB3 H 1 2.42 0.03 . 2 . . . . . . . . 4965 1 628 . 1 1 54 54 PRO HB2 H 1 1.96 0.03 . 2 . . . . . . . . 4965 1 629 . 1 1 54 54 PRO HG3 H 1 2.14 0.03 . 2 . . . . . . . . 4965 1 630 . 1 1 54 54 PRO HG2 H 1 1.94 0.03 . 2 . . . . . . . . 4965 1 631 . 1 1 54 54 PRO HD3 H 1 4.04 0.03 . 2 . . . . . . . . 4965 1 632 . 1 1 54 54 PRO HD2 H 1 3.79 0.03 . 2 . . . . . . . . 4965 1 633 . 1 1 54 54 PRO C C 13 176.11 0.50 . 1 . . . . . . . . 4965 1 634 . 1 1 54 54 PRO CA C 13 61.91 0.50 . 1 . . . . . . . . 4965 1 635 . 1 1 54 54 PRO CB C 13 31.75 0.50 . 1 . . . . . . . . 4965 1 636 . 1 1 54 54 PRO CG C 13 27.90 0.50 . 1 . . . . . . . . 4965 1 637 . 1 1 54 54 PRO CD C 13 51.38 0.50 . 1 . . . . . . . . 4965 1 638 . 1 1 55 55 VAL H H 1 9.24 0.03 . 1 . . . . . . . . 4965 1 639 . 1 1 55 55 VAL HA H 1 5.32 0.03 . 1 . . . . . . . . 4965 1 640 . 1 1 55 55 VAL HB H 1 2.08 0.03 . 1 . . . . . . . . 4965 1 641 . 1 1 55 55 VAL HG11 H 1 1.14 0.03 . 2 . . . . . . . . 4965 1 642 . 1 1 55 55 VAL HG12 H 1 1.14 0.03 . 2 . . . . . . . . 4965 1 643 . 1 1 55 55 VAL HG13 H 1 1.14 0.03 . 2 . . . . . . . . 4965 1 644 . 1 1 55 55 VAL HG21 H 1 0.93 0.03 . 2 . . . . . . . . 4965 1 645 . 1 1 55 55 VAL HG22 H 1 0.93 0.03 . 2 . . . . . . . . 4965 1 646 . 1 1 55 55 VAL HG23 H 1 0.93 0.03 . 2 . . . . . . . . 4965 1 647 . 1 1 55 55 VAL C C 13 173.22 0.50 . 1 . . . . . . . . 4965 1 648 . 1 1 55 55 VAL CA C 13 59.00 0.50 . 1 . . . . . . . . 4965 1 649 . 1 1 55 55 VAL CB C 13 35.71 0.50 . 1 . . . . . . . . 4965 1 650 . 1 1 55 55 VAL CG1 C 13 22.98 0.50 . 2 . . . . . . . . 4965 1 651 . 1 1 55 55 VAL CG2 C 13 20.36 0.50 . 2 . . . . . . . . 4965 1 652 . 1 1 55 55 VAL N N 15 121.95 0.25 . 1 . . . . . . . . 4965 1 653 . 1 1 56 56 GLU H H 1 8.67 0.03 . 1 . . . . . . . . 4965 1 654 . 1 1 56 56 GLU HA H 1 5.17 0.03 . 1 . . . . . . . . 4965 1 655 . 1 1 56 56 GLU HB3 H 1 1.95 0.03 . 2 . . . . . . . . 4965 1 656 . 1 1 56 56 GLU HB2 H 1 1.83 0.03 . 2 . . . . . . . . 4965 1 657 . 1 1 56 56 GLU HG3 H 1 2.08 0.03 . 2 . . . . . . . . 4965 1 658 . 1 1 56 56 GLU HG2 H 1 1.93 0.03 . 2 . . . . . . . . 4965 1 659 . 1 1 56 56 GLU C C 13 176.50 0.50 . 1 . . . . . . . . 4965 1 660 . 1 1 56 56 GLU CA C 13 54.72 0.50 . 1 . . . . . . . . 4965 1 661 . 1 1 56 56 GLU CB C 13 31.84 0.50 . 1 . . . . . . . . 4965 1 662 . 1 1 56 56 GLU CG C 13 36.70 0.50 . 1 . . . . . . . . 4965 1 663 . 1 1 56 56 GLU CD C 13 182.41 0.50 . 1 . . . . . . . . 4965 1 664 . 1 1 56 56 GLU N N 15 125.81 0.25 . 1 . . . . . . . . 4965 1 665 . 1 1 57 57 ILE H H 1 10.02 0.03 . 1 . . . . . . . . 4965 1 666 . 1 1 57 57 ILE HA H 1 4.81 0.03 . 1 . . . . . . . . 4965 1 667 . 1 1 57 57 ILE HB H 1 1.60 0.03 . 1 . . . . . . . . 4965 1 668 . 1 1 57 57 ILE HG13 H 1 1.33 0.03 . 2 . . . . . . . . 4965 1 669 . 1 1 57 57 ILE HG12 H 1 0.45 0.03 . 2 . . . . . . . . 4965 1 670 . 1 1 57 57 ILE HG21 H 1 0.60 0.03 . 1 . . . . . . . . 4965 1 671 . 1 1 57 57 ILE HG22 H 1 0.60 0.03 . 1 . . . . . . . . 4965 1 672 . 1 1 57 57 ILE HG23 H 1 0.60 0.03 . 1 . . . . . . . . 4965 1 673 . 1 1 57 57 ILE HD11 H 1 0.04 0.03 . 1 . . . . . . . . 4965 1 674 . 1 1 57 57 ILE HD12 H 1 0.04 0.03 . 1 . . . . . . . . 4965 1 675 . 1 1 57 57 ILE HD13 H 1 0.04 0.03 . 1 . . . . . . . . 4965 1 676 . 1 1 57 57 ILE C C 13 174.66 0.50 . 1 . . . . . . . . 4965 1 677 . 1 1 57 57 ILE CA C 13 60.99 0.50 . 1 . . . . . . . . 4965 1 678 . 1 1 57 57 ILE CB C 13 40.53 0.50 . 1 . . . . . . . . 4965 1 679 . 1 1 57 57 ILE CG1 C 13 28.69 0.50 . 1 . . . . . . . . 4965 1 680 . 1 1 57 57 ILE CG2 C 13 18.65 0.50 . 1 . . . . . . . . 4965 1 681 . 1 1 57 57 ILE CD1 C 13 15.94 0.50 . 1 . . . . . . . . 4965 1 682 . 1 1 57 57 ILE N N 15 131.00 0.25 . 1 . . . . . . . . 4965 1 683 . 1 1 58 58 THR H H 1 9.45 0.03 . 1 . . . . . . . . 4965 1 684 . 1 1 58 58 THR HA H 1 4.57 0.03 . 1 . . . . . . . . 4965 1 685 . 1 1 58 58 THR HB H 1 3.92 0.03 . 1 . . . . . . . . 4965 1 686 . 1 1 58 58 THR HG21 H 1 0.64 0.03 . 1 . . . . . . . . 4965 1 687 . 1 1 58 58 THR HG22 H 1 0.64 0.03 . 1 . . . . . . . . 4965 1 688 . 1 1 58 58 THR HG23 H 1 0.64 0.03 . 1 . . . . . . . . 4965 1 689 . 1 1 58 58 THR C C 13 172.28 0.50 . 1 . . . . . . . . 4965 1 690 . 1 1 58 58 THR CA C 13 63.26 0.50 . 1 . . . . . . . . 4965 1 691 . 1 1 58 58 THR CB C 13 69.49 0.50 . 1 . . . . . . . . 4965 1 692 . 1 1 58 58 THR CG2 C 13 22.25 0.50 . 1 . . . . . . . . 4965 1 693 . 1 1 58 58 THR N N 15 126.00 0.25 . 1 . . . . . . . . 4965 1 694 . 1 1 59 59 ILE H H 1 8.77 0.03 . 1 . . . . . . . . 4965 1 695 . 1 1 59 59 ILE HA H 1 4.70 0.03 . 1 . . . . . . . . 4965 1 696 . 1 1 59 59 ILE HB H 1 1.40 0.03 . 1 . . . . . . . . 4965 1 697 . 1 1 59 59 ILE HG13 H 1 1.42 0.03 . 2 . . . . . . . . 4965 1 698 . 1 1 59 59 ILE HG12 H 1 0.83 0.03 . 2 . . . . . . . . 4965 1 699 . 1 1 59 59 ILE HG21 H 1 1.01 0.03 . 1 . . . . . . . . 4965 1 700 . 1 1 59 59 ILE HG22 H 1 1.01 0.03 . 1 . . . . . . . . 4965 1 701 . 1 1 59 59 ILE HG23 H 1 1.01 0.03 . 1 . . . . . . . . 4965 1 702 . 1 1 59 59 ILE HD11 H 1 0.69 0.03 . 1 . . . . . . . . 4965 1 703 . 1 1 59 59 ILE HD12 H 1 0.69 0.03 . 1 . . . . . . . . 4965 1 704 . 1 1 59 59 ILE HD13 H 1 0.69 0.03 . 1 . . . . . . . . 4965 1 705 . 1 1 59 59 ILE C C 13 175.46 0.50 . 1 . . . . . . . . 4965 1 706 . 1 1 59 59 ILE CA C 13 59.94 0.50 . 1 . . . . . . . . 4965 1 707 . 1 1 59 59 ILE CB C 13 39.50 0.50 . 1 . . . . . . . . 4965 1 708 . 1 1 59 59 ILE CG1 C 13 28.43 0.50 . 1 . . . . . . . . 4965 1 709 . 1 1 59 59 ILE CG2 C 13 17.62 0.50 . 1 . . . . . . . . 4965 1 710 . 1 1 59 59 ILE CD1 C 13 14.68 0.50 . 1 . . . . . . . . 4965 1 711 . 1 1 59 59 ILE N N 15 125.00 0.25 . 1 . . . . . . . . 4965 1 712 . 1 1 60 60 TYR H H 1 8.70 0.03 . 1 . . . . . . . . 4965 1 713 . 1 1 60 60 TYR HA H 1 5.37 0.03 . 1 . . . . . . . . 4965 1 714 . 1 1 60 60 TYR HB2 H 1 3.00 0.03 . 1 . . . . . . . . 4965 1 715 . 1 1 60 60 TYR HB3 H 1 3.18 0.03 . 1 . . . . . . . . 4965 1 716 . 1 1 60 60 TYR HD1 H 1 6.98 0.03 . 3 . . . . . . . . 4965 1 717 . 1 1 60 60 TYR HE1 H 1 6.77 0.03 . 3 . . . . . . . . 4965 1 718 . 1 1 60 60 TYR C C 13 178.54 0.50 . 1 . . . . . . . . 4965 1 719 . 1 1 60 60 TYR CA C 13 57.62 0.50 . 1 . . . . . . . . 4965 1 720 . 1 1 60 60 TYR CB C 13 40.43 0.50 . 1 . . . . . . . . 4965 1 721 . 1 1 60 60 TYR CD1 C 13 133.76 0.50 . 3 . . . . . . . . 4965 1 722 . 1 1 60 60 TYR CE1 C 13 118.06 0.50 . 3 . . . . . . . . 4965 1 723 . 1 1 60 60 TYR N N 15 125.87 0.25 . 1 . . . . . . . . 4965 1 724 . 1 1 61 61 ALA H H 1 8.89 0.03 . 1 . . . . . . . . 4965 1 725 . 1 1 61 61 ALA HA H 1 4.12 0.03 . 1 . . . . . . . . 4965 1 726 . 1 1 61 61 ALA HB1 H 1 1.53 0.03 . 1 . . . . . . . . 4965 1 727 . 1 1 61 61 ALA HB2 H 1 1.53 0.03 . 1 . . . . . . . . 4965 1 728 . 1 1 61 61 ALA HB3 H 1 1.53 0.03 . 1 . . . . . . . . 4965 1 729 . 1 1 61 61 ALA C C 13 177.28 0.50 . 1 . . . . . . . . 4965 1 730 . 1 1 61 61 ALA CA C 13 54.89 0.50 . 1 . . . . . . . . 4965 1 731 . 1 1 61 61 ALA CB C 13 18.76 0.50 . 1 . . . . . . . . 4965 1 732 . 1 1 61 61 ALA N N 15 122.41 0.25 . 1 . . . . . . . . 4965 1 733 . 1 1 62 62 ASP H H 1 7.79 0.03 . 1 . . . . . . . . 4965 1 734 . 1 1 62 62 ASP HA H 1 4.63 0.03 . 1 . . . . . . . . 4965 1 735 . 1 1 62 62 ASP HB3 H 1 3.16 0.03 . 2 . . . . . . . . 4965 1 736 . 1 1 62 62 ASP HB2 H 1 2.65 0.03 . 2 . . . . . . . . 4965 1 737 . 1 1 62 62 ASP C C 13 176.51 0.50 . 1 . . . . . . . . 4965 1 738 . 1 1 62 62 ASP CA C 13 53.36 0.50 . 1 . . . . . . . . 4965 1 739 . 1 1 62 62 ASP CB C 13 39.45 0.50 . 1 . . . . . . . . 4965 1 740 . 1 1 62 62 ASP N N 15 115.41 0.25 . 1 . . . . . . . . 4965 1 741 . 1 1 63 63 ARG H H 1 8.49 0.03 . 1 . . . . . . . . 4965 1 742 . 1 1 63 63 ARG HA H 1 3.83 0.03 . 1 . . . . . . . . 4965 1 743 . 1 1 63 63 ARG HB2 H 1 2.41 0.03 . 1 . . . . . . . . 4965 1 744 . 1 1 63 63 ARG HB3 H 1 2.18 0.03 . 1 . . . . . . . . 4965 1 745 . 1 1 63 63 ARG HG3 H 1 1.80 0.03 . 2 . . . . . . . . 4965 1 746 . 1 1 63 63 ARG HG2 H 1 1.72 0.03 . 2 . . . . . . . . 4965 1 747 . 1 1 63 63 ARG HD3 H 1 3.36 0.03 . 2 . . . . . . . . 4965 1 748 . 1 1 63 63 ARG HE H 1 7.16 0.03 . 1 . . . . . . . . 4965 1 749 . 1 1 63 63 ARG C C 13 175.07 0.50 . 1 . . . . . . . . 4965 1 750 . 1 1 63 63 ARG CA C 13 59.13 0.50 . 1 . . . . . . . . 4965 1 751 . 1 1 63 63 ARG CB C 13 26.88 0.50 . 1 . . . . . . . . 4965 1 752 . 1 1 63 63 ARG CG C 13 28.04 0.50 . 1 . . . . . . . . 4965 1 753 . 1 1 63 63 ARG CD C 13 43.65 0.50 . 1 . . . . . . . . 4965 1 754 . 1 1 63 63 ARG N N 15 112.37 0.25 . 1 . . . . . . . . 4965 1 755 . 1 1 63 63 ARG NE N 15 85.35 0.25 . 1 . . . . . . . . 4965 1 756 . 1 1 64 64 SER H H 1 8.07 0.03 . 1 . . . . . . . . 4965 1 757 . 1 1 64 64 SER HA H 1 4.47 0.03 . 1 . . . . . . . . 4965 1 758 . 1 1 64 64 SER HB2 H 1 3.89 0.03 . 1 . . . . . . . . 4965 1 759 . 1 1 64 64 SER HB3 H 1 4.07 0.03 . 1 . . . . . . . . 4965 1 760 . 1 1 64 64 SER C C 13 172.08 0.50 . 1 . . . . . . . . 4965 1 761 . 1 1 64 64 SER CA C 13 59.03 0.50 . 1 . . . . . . . . 4965 1 762 . 1 1 64 64 SER CB C 13 64.97 0.50 . 1 . . . . . . . . 4965 1 763 . 1 1 64 64 SER N N 15 114.37 0.25 . 1 . . . . . . . . 4965 1 764 . 1 1 65 65 PHE H H 1 7.93 0.03 . 1 . . . . . . . . 4965 1 765 . 1 1 65 65 PHE HA H 1 6.41 0.03 . 1 . . . . . . . . 4965 1 766 . 1 1 65 65 PHE HB2 H 1 3.19 0.03 . 1 . . . . . . . . 4965 1 767 . 1 1 65 65 PHE HB3 H 1 2.84 0.03 . 1 . . . . . . . . 4965 1 768 . 1 1 65 65 PHE HD1 H 1 7.23 0.03 . 3 . . . . . . . . 4965 1 769 . 1 1 65 65 PHE C C 13 175.43 0.50 . 1 . . . . . . . . 4965 1 770 . 1 1 65 65 PHE CA C 13 56.28 0.50 . 1 . . . . . . . . 4965 1 771 . 1 1 65 65 PHE CB C 13 43.45 0.50 . 1 . . . . . . . . 4965 1 772 . 1 1 65 65 PHE CD1 C 13 132.23 0.50 . 3 . . . . . . . . 4965 1 773 . 1 1 65 65 PHE N N 15 111.33 0.25 . 1 . . . . . . . . 4965 1 774 . 1 1 66 66 THR H H 1 9.36 0.03 . 1 . . . . . . . . 4965 1 775 . 1 1 66 66 THR HA H 1 4.84 0.03 . 1 . . . . . . . . 4965 1 776 . 1 1 66 66 THR HB H 1 4.49 0.03 . 1 . . . . . . . . 4965 1 777 . 1 1 66 66 THR HG21 H 1 1.37 0.03 . 1 . . . . . . . . 4965 1 778 . 1 1 66 66 THR HG22 H 1 1.37 0.03 . 1 . . . . . . . . 4965 1 779 . 1 1 66 66 THR HG23 H 1 1.37 0.03 . 1 . . . . . . . . 4965 1 780 . 1 1 66 66 THR C C 13 173.18 0.50 . 1 . . . . . . . . 4965 1 781 . 1 1 66 66 THR CA C 13 60.57 0.50 . 1 . . . . . . . . 4965 1 782 . 1 1 66 66 THR CB C 13 72.70 0.50 . 1 . . . . . . . . 4965 1 783 . 1 1 66 66 THR CG2 C 13 22.22 0.50 . 1 . . . . . . . . 4965 1 784 . 1 1 66 66 THR N N 15 111.99 0.25 . 1 . . . . . . . . 4965 1 785 . 1 1 67 67 PHE H H 1 8.98 0.03 . 1 . . . . . . . . 4965 1 786 . 1 1 67 67 PHE HA H 1 6.06 0.03 . 1 . . . . . . . . 4965 1 787 . 1 1 67 67 PHE HB3 H 1 3.23 0.03 . 2 . . . . . . . . 4965 1 788 . 1 1 67 67 PHE HB2 H 1 3.12 0.03 . 2 . . . . . . . . 4965 1 789 . 1 1 67 67 PHE HD1 H 1 7.65 0.03 . 3 . . . . . . . . 4965 1 790 . 1 1 67 67 PHE HZ H 1 7.23 0.03 . 1 . . . . . . . . 4965 1 791 . 1 1 67 67 PHE C C 13 172.87 0.50 . 1 . . . . . . . . 4965 1 792 . 1 1 67 67 PHE CA C 13 56.36 0.50 . 1 . . . . . . . . 4965 1 793 . 1 1 67 67 PHE CB C 13 43.53 0.50 . 1 . . . . . . . . 4965 1 794 . 1 1 67 67 PHE CD1 C 13 131.28 0.50 . 3 . . . . . . . . 4965 1 795 . 1 1 67 67 PHE CZ C 13 129.42 0.50 . 1 . . . . . . . . 4965 1 796 . 1 1 67 67 PHE N N 15 116.29 0.25 . 1 . . . . . . . . 4965 1 797 . 1 1 68 68 VAL H H 1 8.58 0.03 . 1 . . . . . . . . 4965 1 798 . 1 1 68 68 VAL HA H 1 4.67 0.03 . 1 . . . . . . . . 4965 1 799 . 1 1 68 68 VAL HB H 1 2.14 0.03 . 1 . . . . . . . . 4965 1 800 . 1 1 68 68 VAL HG11 H 1 1.02 0.03 . 2 . . . . . . . . 4965 1 801 . 1 1 68 68 VAL HG12 H 1 1.02 0.03 . 2 . . . . . . . . 4965 1 802 . 1 1 68 68 VAL HG13 H 1 1.02 0.03 . 2 . . . . . . . . 4965 1 803 . 1 1 68 68 VAL HG21 H 1 1.00 0.03 . 2 . . . . . . . . 4965 1 804 . 1 1 68 68 VAL HG22 H 1 1.00 0.03 . 2 . . . . . . . . 4965 1 805 . 1 1 68 68 VAL HG23 H 1 1.00 0.03 . 2 . . . . . . . . 4965 1 806 . 1 1 68 68 VAL C C 13 175.57 0.50 . 1 . . . . . . . . 4965 1 807 . 1 1 68 68 VAL CA C 13 60.15 0.50 . 1 . . . . . . . . 4965 1 808 . 1 1 68 68 VAL CB C 13 35.83 0.50 . 1 . . . . . . . . 4965 1 809 . 1 1 68 68 VAL CG1 C 13 21.20 0.50 . 2 . . . . . . . . 4965 1 810 . 1 1 68 68 VAL CG2 C 13 20.16 0.50 . 2 . . . . . . . . 4965 1 811 . 1 1 68 68 VAL N N 15 116.63 0.25 . 1 . . . . . . . . 4965 1 812 . 1 1 69 69 THR H H 1 8.72 0.03 . 1 . . . . . . . . 4965 1 813 . 1 1 69 69 THR HA H 1 5.20 0.03 . 1 . . . . . . . . 4965 1 814 . 1 1 69 69 THR HB H 1 4.25 0.03 . 1 . . . . . . . . 4965 1 815 . 1 1 69 69 THR HG21 H 1 1.32 0.03 . 1 . . . . . . . . 4965 1 816 . 1 1 69 69 THR HG22 H 1 1.32 0.03 . 1 . . . . . . . . 4965 1 817 . 1 1 69 69 THR HG23 H 1 1.32 0.03 . 1 . . . . . . . . 4965 1 818 . 1 1 69 69 THR C C 13 174.27 0.50 . 1 . . . . . . . . 4965 1 819 . 1 1 69 69 THR CA C 13 60.01 0.50 . 1 . . . . . . . . 4965 1 820 . 1 1 69 69 THR CB C 13 69.99 0.50 . 1 . . . . . . . . 4965 1 821 . 1 1 69 69 THR CG2 C 13 21.73 0.50 . 1 . . . . . . . . 4965 1 822 . 1 1 69 69 THR N N 15 116.09 0.25 . 1 . . . . . . . . 4965 1 823 . 1 1 70 70 LYS H H 1 8.19 0.03 . 1 . . . . . . . . 4965 1 824 . 1 1 70 70 LYS HA H 1 4.79 0.03 . 1 . . . . . . . . 4965 1 825 . 1 1 70 70 LYS HB2 H 1 1.64 0.03 . 1 . . . . . . . . 4965 1 826 . 1 1 70 70 LYS HB3 H 1 2.04 0.03 . 1 . . . . . . . . 4965 1 827 . 1 1 70 70 LYS HG3 H 1 1.47 0.03 . 2 . . . . . . . . 4965 1 828 . 1 1 70 70 LYS HG2 H 1 1.38 0.03 . 2 . . . . . . . . 4965 1 829 . 1 1 70 70 LYS HD3 H 1 1.66 0.03 . 2 . . . . . . . . 4965 1 830 . 1 1 70 70 LYS HE3 H 1 2.92 0.03 . 2 . . . . . . . . 4965 1 831 . 1 1 70 70 LYS C C 13 175.88 0.50 . 1 . . . . . . . . 4965 1 832 . 1 1 70 70 LYS CA C 13 54.30 0.50 . 1 . . . . . . . . 4965 1 833 . 1 1 70 70 LYS CB C 13 33.36 0.50 . 1 . . . . . . . . 4965 1 834 . 1 1 70 70 LYS CG C 13 24.51 0.50 . 1 . . . . . . . . 4965 1 835 . 1 1 70 70 LYS CD C 13 28.50 0.50 . 1 . . . . . . . . 4965 1 836 . 1 1 70 70 LYS CE C 13 42.40 0.50 . 1 . . . . . . . . 4965 1 837 . 1 1 70 70 LYS N N 15 121.92 0.25 . 1 . . . . . . . . 4965 1 838 . 1 1 71 71 THR H H 1 8.23 0.03 . 1 . . . . . . . . 4965 1 839 . 1 1 71 71 THR HA H 1 4.61 0.03 . 1 . . . . . . . . 4965 1 840 . 1 1 71 71 THR HB H 1 4.28 0.03 . 1 . . . . . . . . 4965 1 841 . 1 1 71 71 THR HG21 H 1 1.45 0.03 . 1 . . . . . . . . 4965 1 842 . 1 1 71 71 THR HG22 H 1 1.45 0.03 . 1 . . . . . . . . 4965 1 843 . 1 1 71 71 THR HG23 H 1 1.45 0.03 . 1 . . . . . . . . 4965 1 844 . 1 1 71 71 THR C C 13 172.75 0.50 . 1 . . . . . . . . 4965 1 845 . 1 1 71 71 THR CA C 13 60.26 0.50 . 1 . . . . . . . . 4965 1 846 . 1 1 71 71 THR CB C 13 69.36 0.50 . 1 . . . . . . . . 4965 1 847 . 1 1 71 71 THR CG2 C 13 22.67 0.50 . 1 . . . . . . . . 4965 1 848 . 1 1 71 71 THR N N 15 114.05 0.25 . 1 . . . . . . . . 4965 1 849 . 1 1 73 73 PRO HA H 1 4.47 0.03 . 1 . . . . . . . . 4965 1 850 . 1 1 73 73 PRO HB3 H 1 2.53 0.03 . 2 . . . . . . . . 4965 1 851 . 1 1 73 73 PRO HB2 H 1 2.02 0.03 . 2 . . . . . . . . 4965 1 852 . 1 1 73 73 PRO HG3 H 1 2.10 0.03 . 2 . . . . . . . . 4965 1 853 . 1 1 73 73 PRO HD3 H 1 3.85 0.03 . 2 . . . . . . . . 4965 1 854 . 1 1 73 73 PRO HD2 H 1 3.57 0.03 . 2 . . . . . . . . 4965 1 855 . 1 1 73 73 PRO C C 13 177.21 0.50 . 1 . . . . . . . . 4965 1 856 . 1 1 73 73 PRO CA C 13 62.83 0.50 . 1 . . . . . . . . 4965 1 857 . 1 1 73 73 PRO CB C 13 32.39 0.50 . 1 . . . . . . . . 4965 1 858 . 1 1 73 73 PRO CG C 13 27.88 0.50 . 1 . . . . . . . . 4965 1 859 . 1 1 73 73 PRO CD C 13 50.50 0.50 . 1 . . . . . . . . 4965 1 860 . 1 1 74 74 ALA H H 1 9.36 0.03 . 1 . . . . . . . . 4965 1 861 . 1 1 74 74 ALA HA H 1 3.86 0.03 . 1 . . . . . . . . 4965 1 862 . 1 1 74 74 ALA HB1 H 1 1.39 0.03 . 1 . . . . . . . . 4965 1 863 . 1 1 74 74 ALA HB2 H 1 1.39 0.03 . 1 . . . . . . . . 4965 1 864 . 1 1 74 74 ALA HB3 H 1 1.39 0.03 . 1 . . . . . . . . 4965 1 865 . 1 1 74 74 ALA C C 13 178.73 0.50 . 1 . . . . . . . . 4965 1 866 . 1 1 74 74 ALA CA C 13 55.58 0.50 . 1 . . . . . . . . 4965 1 867 . 1 1 74 74 ALA CB C 13 17.73 0.50 . 1 . . . . . . . . 4965 1 868 . 1 1 74 74 ALA N N 15 124.09 0.25 . 1 . . . . . . . . 4965 1 869 . 1 1 75 75 SER H H 1 8.67 0.03 . 1 . . . . . . . . 4965 1 870 . 1 1 75 75 SER HA H 1 3.95 0.03 . 1 . . . . . . . . 4965 1 871 . 1 1 75 75 SER HB3 H 1 3.98 0.03 . 2 . . . . . . . . 4965 1 872 . 1 1 75 75 SER HB2 H 1 3.87 0.03 . 2 . . . . . . . . 4965 1 873 . 1 1 75 75 SER C C 13 175.82 0.50 . 1 . . . . . . . . 4965 1 874 . 1 1 75 75 SER CA C 13 61.71 0.50 . 1 . . . . . . . . 4965 1 875 . 1 1 75 75 SER CB C 13 61.57 0.50 . 1 . . . . . . . . 4965 1 876 . 1 1 75 75 SER N N 15 110.27 0.25 . 1 . . . . . . . . 4965 1 877 . 1 1 76 76 TYR H H 1 7.03 0.03 . 1 . . . . . . . . 4965 1 878 . 1 1 76 76 TYR HA H 1 4.17 0.03 . 1 . . . . . . . . 4965 1 879 . 1 1 76 76 TYR HB2 H 1 3.28 0.03 . 1 . . . . . . . . 4965 1 880 . 1 1 76 76 TYR HB3 H 1 3.09 0.03 . 1 . . . . . . . . 4965 1 881 . 1 1 76 76 TYR HD1 H 1 7.06 0.03 . 3 . . . . . . . . 4965 1 882 . 1 1 76 76 TYR HE1 H 1 6.88 0.03 . 3 . . . . . . . . 4965 1 883 . 1 1 76 76 TYR C C 13 176.83 0.50 . 1 . . . . . . . . 4965 1 884 . 1 1 76 76 TYR CA C 13 61.03 0.50 . 1 . . . . . . . . 4965 1 885 . 1 1 76 76 TYR CB C 13 38.32 0.50 . 1 . . . . . . . . 4965 1 886 . 1 1 76 76 TYR CD1 C 13 133.30 0.50 . 3 . . . . . . . . 4965 1 887 . 1 1 76 76 TYR CE1 C 13 118.12 0.50 . 3 . . . . . . . . 4965 1 888 . 1 1 76 76 TYR N N 15 121.74 0.25 . 1 . . . . . . . . 4965 1 889 . 1 1 77 77 LEU H H 1 7.55 0.03 . 1 . . . . . . . . 4965 1 890 . 1 1 77 77 LEU HA H 1 3.83 0.03 . 1 . . . . . . . . 4965 1 891 . 1 1 77 77 LEU HB2 H 1 1.94 0.03 . 1 . . . . . . . . 4965 1 892 . 1 1 77 77 LEU HB3 H 1 1.43 0.03 . 1 . . . . . . . . 4965 1 893 . 1 1 77 77 LEU HG H 1 1.88 0.03 . 2 . . . . . . . . 4965 1 894 . 1 1 77 77 LEU HD11 H 1 1.01 0.03 . 2 . . . . . . . . 4965 1 895 . 1 1 77 77 LEU HD12 H 1 1.01 0.03 . 2 . . . . . . . . 4965 1 896 . 1 1 77 77 LEU HD13 H 1 1.01 0.03 . 2 . . . . . . . . 4965 1 897 . 1 1 77 77 LEU HD21 H 1 0.93 0.03 . 2 . . . . . . . . 4965 1 898 . 1 1 77 77 LEU HD22 H 1 0.93 0.03 . 2 . . . . . . . . 4965 1 899 . 1 1 77 77 LEU HD23 H 1 0.93 0.03 . 2 . . . . . . . . 4965 1 900 . 1 1 77 77 LEU C C 13 180.40 0.50 . 1 . . . . . . . . 4965 1 901 . 1 1 77 77 LEU CA C 13 57.73 0.50 . 1 . . . . . . . . 4965 1 902 . 1 1 77 77 LEU CB C 13 42.27 0.50 . 1 . . . . . . . . 4965 1 903 . 1 1 77 77 LEU CG C 13 27.42 0.50 . 1 . . . . . . . . 4965 1 904 . 1 1 77 77 LEU CD1 C 13 22.32 0.50 . 2 . . . . . . . . 4965 1 905 . 1 1 77 77 LEU CD2 C 13 26.45 0.50 . 2 . . . . . . . . 4965 1 906 . 1 1 77 77 LEU N N 15 118.02 0.25 . 1 . . . . . . . . 4965 1 907 . 1 1 78 78 ILE H H 1 8.75 0.03 . 1 . . . . . . . . 4965 1 908 . 1 1 78 78 ILE HA H 1 3.37 0.03 . 1 . . . . . . . . 4965 1 909 . 1 1 78 78 ILE HB H 1 1.74 0.03 . 1 . . . . . . . . 4965 1 910 . 1 1 78 78 ILE HG13 H 1 1.87 0.03 . 2 . . . . . . . . 4965 1 911 . 1 1 78 78 ILE HG12 H 1 0.58 0.03 . 2 . . . . . . . . 4965 1 912 . 1 1 78 78 ILE HG21 H 1 0.77 0.03 . 1 . . . . . . . . 4965 1 913 . 1 1 78 78 ILE HG22 H 1 0.77 0.03 . 1 . . . . . . . . 4965 1 914 . 1 1 78 78 ILE HG23 H 1 0.77 0.03 . 1 . . . . . . . . 4965 1 915 . 1 1 78 78 ILE HD11 H 1 0.76 0.03 . 1 . . . . . . . . 4965 1 916 . 1 1 78 78 ILE HD12 H 1 0.76 0.03 . 1 . . . . . . . . 4965 1 917 . 1 1 78 78 ILE HD13 H 1 0.76 0.03 . 1 . . . . . . . . 4965 1 918 . 1 1 78 78 ILE C C 13 176.68 0.50 . 1 . . . . . . . . 4965 1 919 . 1 1 78 78 ILE CA C 13 65.66 0.50 . 1 . . . . . . . . 4965 1 920 . 1 1 78 78 ILE CB C 13 38.43 0.50 . 1 . . . . . . . . 4965 1 921 . 1 1 78 78 ILE CG1 C 13 30.05 0.50 . 1 . . . . . . . . 4965 1 922 . 1 1 78 78 ILE CG2 C 13 17.55 0.50 . 1 . . . . . . . . 4965 1 923 . 1 1 78 78 ILE CD1 C 13 14.25 0.50 . 1 . . . . . . . . 4965 1 924 . 1 1 78 78 ILE N N 15 120.12 0.25 . 1 . . . . . . . . 4965 1 925 . 1 1 79 79 ARG H H 1 7.85 0.03 . 1 . . . . . . . . 4965 1 926 . 1 1 79 79 ARG HA H 1 3.62 0.03 . 1 . . . . . . . . 4965 1 927 . 1 1 79 79 ARG HB2 H 1 1.69 0.03 . 1 . . . . . . . . 4965 1 928 . 1 1 79 79 ARG HB3 H 1 1.87 0.03 . 1 . . . . . . . . 4965 1 929 . 1 1 79 79 ARG HG3 H 1 1.35 0.03 . 2 . . . . . . . . 4965 1 930 . 1 1 79 79 ARG HD3 H 1 3.25 0.03 . 2 . . . . . . . . 4965 1 931 . 1 1 79 79 ARG HD2 H 1 3.13 0.03 . 2 . . . . . . . . 4965 1 932 . 1 1 79 79 ARG C C 13 178.55 0.50 . 1 . . . . . . . . 4965 1 933 . 1 1 79 79 ARG CA C 13 60.93 0.50 . 1 . . . . . . . . 4965 1 934 . 1 1 79 79 ARG CB C 13 30.32 0.50 . 1 . . . . . . . . 4965 1 935 . 1 1 79 79 ARG CG C 13 29.09 0.50 . 1 . . . . . . . . 4965 1 936 . 1 1 79 79 ARG CD C 13 43.27 0.50 . 1 . . . . . . . . 4965 1 937 . 1 1 79 79 ARG N N 15 117.81 0.25 . 1 . . . . . . . . 4965 1 938 . 1 1 80 80 LYS H H 1 8.23 0.03 . 1 . . . . . . . . 4965 1 939 . 1 1 80 80 LYS HA H 1 3.93 0.03 . 1 . . . . . . . . 4965 1 940 . 1 1 80 80 LYS HB3 H 1 1.67 0.03 . 2 . . . . . . . . 4965 1 941 . 1 1 80 80 LYS HB2 H 1 1.38 0.03 . 2 . . . . . . . . 4965 1 942 . 1 1 80 80 LYS HG3 H 1 1.25 0.03 . 2 . . . . . . . . 4965 1 943 . 1 1 80 80 LYS HD3 H 1 1.62 0.03 . 2 . . . . . . . . 4965 1 944 . 1 1 80 80 LYS HE3 H 1 2.97 0.03 . 2 . . . . . . . . 4965 1 945 . 1 1 80 80 LYS C C 13 180.00 0.50 . 1 . . . . . . . . 4965 1 946 . 1 1 80 80 LYS CA C 13 58.82 0.50 . 1 . . . . . . . . 4965 1 947 . 1 1 80 80 LYS CB C 13 32.19 0.50 . 1 . . . . . . . . 4965 1 948 . 1 1 80 80 LYS CG C 13 24.12 0.50 . 1 . . . . . . . . 4965 1 949 . 1 1 80 80 LYS CD C 13 29.07 0.50 . 1 . . . . . . . . 4965 1 950 . 1 1 80 80 LYS CE C 13 41.64 0.50 . 1 . . . . . . . . 4965 1 951 . 1 1 80 80 LYS N N 15 118.61 0.25 . 1 . . . . . . . . 4965 1 952 . 1 1 81 81 ALA H H 1 7.88 0.03 . 1 . . . . . . . . 4965 1 953 . 1 1 81 81 ALA HA H 1 4.10 0.03 . 1 . . . . . . . . 4965 1 954 . 1 1 81 81 ALA HB1 H 1 1.46 0.03 . 1 . . . . . . . . 4965 1 955 . 1 1 81 81 ALA HB2 H 1 1.46 0.03 . 1 . . . . . . . . 4965 1 956 . 1 1 81 81 ALA HB3 H 1 1.46 0.03 . 1 . . . . . . . . 4965 1 957 . 1 1 81 81 ALA C C 13 178.29 0.50 . 1 . . . . . . . . 4965 1 958 . 1 1 81 81 ALA CA C 13 55.00 0.50 . 1 . . . . . . . . 4965 1 959 . 1 1 81 81 ALA CB C 13 18.20 0.50 . 1 . . . . . . . . 4965 1 960 . 1 1 81 81 ALA N N 15 123.03 0.25 . 1 . . . . . . . . 4965 1 961 . 1 1 82 82 ALA H H 1 7.97 0.03 . 1 . . . . . . . . 4965 1 962 . 1 1 82 82 ALA HA H 1 4.52 0.03 . 1 . . . . . . . . 4965 1 963 . 1 1 82 82 ALA HB1 H 1 1.27 0.03 . 1 . . . . . . . . 4965 1 964 . 1 1 82 82 ALA HB2 H 1 1.27 0.03 . 1 . . . . . . . . 4965 1 965 . 1 1 82 82 ALA HB3 H 1 1.27 0.03 . 1 . . . . . . . . 4965 1 966 . 1 1 82 82 ALA C C 13 177.32 0.50 . 1 . . . . . . . . 4965 1 967 . 1 1 82 82 ALA CA C 13 51.75 0.50 . 1 . . . . . . . . 4965 1 968 . 1 1 82 82 ALA CB C 13 20.13 0.50 . 1 . . . . . . . . 4965 1 969 . 1 1 82 82 ALA N N 15 116.26 0.25 . 1 . . . . . . . . 4965 1 970 . 1 1 83 83 GLY H H 1 7.72 0.03 . 1 . . . . . . . . 4965 1 971 . 1 1 83 83 GLY HA3 H 1 4.03 0.03 . 2 . . . . . . . . 4965 1 972 . 1 1 83 83 GLY C C 13 175.05 0.50 . 1 . . . . . . . . 4965 1 973 . 1 1 83 83 GLY CA C 13 46.50 0.50 . 1 . . . . . . . . 4965 1 974 . 1 1 83 83 GLY N N 15 106.29 0.25 . 1 . . . . . . . . 4965 1 975 . 1 1 84 84 LEU H H 1 8.06 0.03 . 1 . . . . . . . . 4965 1 976 . 1 1 84 84 LEU HA H 1 4.35 0.03 . 1 . . . . . . . . 4965 1 977 . 1 1 84 84 LEU HB2 H 1 1.50 0.03 . 1 . . . . . . . . 4965 1 978 . 1 1 84 84 LEU HB3 H 1 1.64 0.03 . 1 . . . . . . . . 4965 1 979 . 1 1 84 84 LEU HG H 1 1.51 0.03 . 2 . . . . . . . . 4965 1 980 . 1 1 84 84 LEU HD11 H 1 0.83 0.03 . 2 . . . . . . . . 4965 1 981 . 1 1 84 84 LEU HD12 H 1 0.83 0.03 . 2 . . . . . . . . 4965 1 982 . 1 1 84 84 LEU HD13 H 1 0.83 0.03 . 2 . . . . . . . . 4965 1 983 . 1 1 84 84 LEU HD21 H 1 0.80 0.03 . 2 . . . . . . . . 4965 1 984 . 1 1 84 84 LEU HD22 H 1 0.80 0.03 . 2 . . . . . . . . 4965 1 985 . 1 1 84 84 LEU HD23 H 1 0.80 0.03 . 2 . . . . . . . . 4965 1 986 . 1 1 84 84 LEU C C 13 177.17 0.50 . 1 . . . . . . . . 4965 1 987 . 1 1 84 84 LEU CA C 13 54.74 0.50 . 1 . . . . . . . . 4965 1 988 . 1 1 84 84 LEU CB C 13 42.70 0.50 . 1 . . . . . . . . 4965 1 989 . 1 1 84 84 LEU CG C 13 26.80 0.50 . 1 . . . . . . . . 4965 1 990 . 1 1 84 84 LEU CD1 C 13 25.53 0.50 . 2 . . . . . . . . 4965 1 991 . 1 1 84 84 LEU CD2 C 13 22.34 0.50 . 2 . . . . . . . . 4965 1 992 . 1 1 84 84 LEU N N 15 117.58 0.25 . 1 . . . . . . . . 4965 1 993 . 1 1 85 85 GLU H H 1 8.09 0.03 . 1 . . . . . . . . 4965 1 994 . 1 1 85 85 GLU HA H 1 4.34 0.03 . 1 . . . . . . . . 4965 1 995 . 1 1 85 85 GLU HB3 H 1 2.06 0.03 . 2 . . . . . . . . 4965 1 996 . 1 1 85 85 GLU HB2 H 1 1.75 0.03 . 2 . . . . . . . . 4965 1 997 . 1 1 85 85 GLU HG3 H 1 2.13 0.03 . 2 . . . . . . . . 4965 1 998 . 1 1 85 85 GLU HG2 H 1 2.07 0.03 . 2 . . . . . . . . 4965 1 999 . 1 1 85 85 GLU C C 13 176.27 0.50 . 1 . . . . . . . . 4965 1 1000 . 1 1 85 85 GLU CA C 13 55.88 0.50 . 1 . . . . . . . . 4965 1 1001 . 1 1 85 85 GLU CB C 13 30.47 0.50 . 1 . . . . . . . . 4965 1 1002 . 1 1 85 85 GLU CG C 13 36.08 0.50 . 1 . . . . . . . . 4965 1 1003 . 1 1 85 85 GLU CD C 13 183.01 0.50 . 1 . . . . . . . . 4965 1 1004 . 1 1 85 85 GLU N N 15 119.83 0.25 . 1 . . . . . . . . 4965 1 1005 . 1 1 86 86 LYS H H 1 8.42 0.03 . 1 . . . . . . . . 4965 1 1006 . 1 1 86 86 LYS HA H 1 4.24 0.03 . 1 . . . . . . . . 4965 1 1007 . 1 1 86 86 LYS HB3 H 1 1.83 0.03 . 2 . . . . . . . . 4965 1 1008 . 1 1 86 86 LYS HG3 H 1 1.45 0.03 . 2 . . . . . . . . 4965 1 1009 . 1 1 86 86 LYS HD3 H 1 1.70 0.03 . 2 . . . . . . . . 4965 1 1010 . 1 1 86 86 LYS HE3 H 1 3.02 0.03 . 2 . . . . . . . . 4965 1 1011 . 1 1 86 86 LYS C C 13 177.13 0.50 . 1 . . . . . . . . 4965 1 1012 . 1 1 86 86 LYS CA C 13 57.16 0.50 . 1 . . . . . . . . 4965 1 1013 . 1 1 86 86 LYS CB C 13 32.75 0.50 . 1 . . . . . . . . 4965 1 1014 . 1 1 86 86 LYS CG C 13 24.65 0.50 . 1 . . . . . . . . 4965 1 1015 . 1 1 86 86 LYS CD C 13 29.16 0.50 . 1 . . . . . . . . 4965 1 1016 . 1 1 86 86 LYS CE C 13 42.36 0.50 . 1 . . . . . . . . 4965 1 1017 . 1 1 86 86 LYS N N 15 122.07 0.25 . 1 . . . . . . . . 4965 1 1018 . 1 1 87 87 GLY H H 1 8.42 0.03 . 1 . . . . . . . . 4965 1 1019 . 1 1 87 87 GLY HA3 H 1 4.01 0.03 . 2 . . . . . . . . 4965 1 1020 . 1 1 87 87 GLY HA2 H 1 3.92 0.03 . 2 . . . . . . . . 4965 1 1021 . 1 1 87 87 GLY C C 13 173.67 0.50 . 1 . . . . . . . . 4965 1 1022 . 1 1 87 87 GLY CA C 13 45.26 0.50 . 1 . . . . . . . . 4965 1 1023 . 1 1 87 87 GLY N N 15 109.98 0.25 . 1 . . . . . . . . 4965 1 1024 . 1 1 88 88 ALA H H 1 8.10 0.03 . 1 . . . . . . . . 4965 1 1025 . 1 1 88 88 ALA HA H 1 4.31 0.03 . 1 . . . . . . . . 4965 1 1026 . 1 1 88 88 ALA HB1 H 1 1.34 0.03 . 1 . . . . . . . . 4965 1 1027 . 1 1 88 88 ALA HB2 H 1 1.34 0.03 . 1 . . . . . . . . 4965 1 1028 . 1 1 88 88 ALA HB3 H 1 1.34 0.03 . 1 . . . . . . . . 4965 1 1029 . 1 1 88 88 ALA C C 13 177.38 0.50 . 1 . . . . . . . . 4965 1 1030 . 1 1 88 88 ALA CA C 13 52.32 0.50 . 1 . . . . . . . . 4965 1 1031 . 1 1 88 88 ALA CB C 13 19.43 0.50 . 1 . . . . . . . . 4965 1 1032 . 1 1 88 88 ALA N N 15 123.06 0.25 . 1 . . . . . . . . 4965 1 1033 . 1 1 89 89 HIS H H 1 8.35 0.03 . 1 . . . . . . . . 4965 1 1034 . 1 1 89 89 HIS HA H 1 4.65 0.03 . 1 . . . . . . . . 4965 1 1035 . 1 1 89 89 HIS HB3 H 1 3.16 0.03 . 2 . . . . . . . . 4965 1 1036 . 1 1 89 89 HIS HB2 H 1 3.12 0.03 . 2 . . . . . . . . 4965 1 1037 . 1 1 89 89 HIS HD2 H 1 7.13 0.03 . 1 . . . . . . . . 4965 1 1038 . 1 1 89 89 HIS HE1 H 1 8.14 0.03 . 1 . . . . . . . . 4965 1 1039 . 1 1 89 89 HIS C C 13 174.76 0.50 . 1 . . . . . . . . 4965 1 1040 . 1 1 89 89 HIS CA C 13 55.92 0.50 . 1 . . . . . . . . 4965 1 1041 . 1 1 89 89 HIS CB C 13 30.49 0.50 . 1 . . . . . . . . 4965 1 1042 . 1 1 89 89 HIS CD2 C 13 119.97 0.50 . 1 . . . . . . . . 4965 1 1043 . 1 1 89 89 HIS CE1 C 13 137.70 0.50 . 1 . . . . . . . . 4965 1 1044 . 1 1 89 89 HIS N N 15 118.35 0.25 . 1 . . . . . . . . 4965 1 1045 . 1 1 90 90 LYS H H 1 8.30 0.03 . 1 . . . . . . . . 4965 1 1046 . 1 1 90 90 LYS HA H 1 4.61 0.03 . 1 . . . . . . . . 4965 1 1047 . 1 1 90 90 LYS HB3 H 1 1.82 0.03 . 2 . . . . . . . . 4965 1 1048 . 1 1 90 90 LYS HB2 H 1 1.74 0.03 . 2 . . . . . . . . 4965 1 1049 . 1 1 90 90 LYS HG3 H 1 1.45 0.03 . 2 . . . . . . . . 4965 1 1050 . 1 1 90 90 LYS C C 13 174.14 0.50 . 1 . . . . . . . . 4965 1 1051 . 1 1 90 90 LYS CA C 13 54.03 0.50 . 1 . . . . . . . . 4965 1 1052 . 1 1 90 90 LYS CB C 13 32.76 0.50 . 1 . . . . . . . . 4965 1 1053 . 1 1 90 90 LYS CG C 13 24.84 0.50 . 1 . . . . . . . . 4965 1 1054 . 1 1 90 90 LYS N N 15 124.18 0.25 . 1 . . . . . . . . 4965 1 1055 . 1 1 91 91 PRO HA H 1 4.43 0.03 . 1 . . . . . . . . 4965 1 1056 . 1 1 91 91 PRO HB3 H 1 2.32 0.03 . 2 . . . . . . . . 4965 1 1057 . 1 1 91 91 PRO HB2 H 1 1.96 0.03 . 2 . . . . . . . . 4965 1 1058 . 1 1 91 91 PRO HG3 H 1 2.02 0.03 . 2 . . . . . . . . 4965 1 1059 . 1 1 91 91 PRO HD3 H 1 3.78 0.03 . 2 . . . . . . . . 4965 1 1060 . 1 1 91 91 PRO HD2 H 1 3.64 0.03 . 2 . . . . . . . . 4965 1 1061 . 1 1 91 91 PRO C C 13 177.43 0.50 . 1 . . . . . . . . 4965 1 1062 . 1 1 91 91 PRO CA C 13 63.49 0.50 . 1 . . . . . . . . 4965 1 1063 . 1 1 91 91 PRO CB C 13 32.18 0.50 . 1 . . . . . . . . 4965 1 1064 . 1 1 91 91 PRO CG C 13 27.40 0.50 . 1 . . . . . . . . 4965 1 1065 . 1 1 91 91 PRO CD C 13 50.64 0.50 . 1 . . . . . . . . 4965 1 1066 . 1 1 92 92 GLY H H 1 8.57 0.03 . 1 . . . . . . . . 4965 1 1067 . 1 1 92 92 GLY HA3 H 1 4.08 0.03 . 2 . . . . . . . . 4965 1 1068 . 1 1 92 92 GLY HA2 H 1 3.98 0.03 . 2 . . . . . . . . 4965 1 1069 . 1 1 92 92 GLY C C 13 174.42 0.50 . 1 . . . . . . . . 4965 1 1070 . 1 1 92 92 GLY CA C 13 45.45 0.50 . 1 . . . . . . . . 4965 1 1071 . 1 1 92 92 GLY N N 15 109.56 0.25 . 1 . . . . . . . . 4965 1 1072 . 1 1 93 93 ARG H H 1 8.23 0.03 . 1 . . . . . . . . 4965 1 1073 . 1 1 93 93 ARG HA H 1 4.36 0.03 . 1 . . . . . . . . 4965 1 1074 . 1 1 93 93 ARG HB3 H 1 1.93 0.03 . 2 . . . . . . . . 4965 1 1075 . 1 1 93 93 ARG HB2 H 1 1.80 0.03 . 2 . . . . . . . . 4965 1 1076 . 1 1 93 93 ARG HG3 H 1 1.64 0.03 . 2 . . . . . . . . 4965 1 1077 . 1 1 93 93 ARG HD3 H 1 3.22 0.03 . 2 . . . . . . . . 4965 1 1078 . 1 1 93 93 ARG C C 13 176.52 0.50 . 1 . . . . . . . . 4965 1 1079 . 1 1 93 93 ARG CA C 13 56.29 0.50 . 1 . . . . . . . . 4965 1 1080 . 1 1 93 93 ARG CB C 13 30.61 0.50 . 1 . . . . . . . . 4965 1 1081 . 1 1 93 93 ARG CG C 13 26.96 0.50 . 1 . . . . . . . . 4965 1 1082 . 1 1 93 93 ARG CD C 13 43.10 0.50 . 1 . . . . . . . . 4965 1 1083 . 1 1 93 93 ARG N N 15 120.00 0.25 . 1 . . . . . . . . 4965 1 1084 . 1 1 94 94 GLU H H 1 8.53 0.03 . 1 . . . . . . . . 4965 1 1085 . 1 1 94 94 GLU HA H 1 4.27 0.03 . 1 . . . . . . . . 4965 1 1086 . 1 1 94 94 GLU HB3 H 1 2.07 0.03 . 2 . . . . . . . . 4965 1 1087 . 1 1 94 94 GLU HB2 H 1 1.96 0.03 . 2 . . . . . . . . 4965 1 1088 . 1 1 94 94 GLU HG3 H 1 2.29 0.03 . 2 . . . . . . . . 4965 1 1089 . 1 1 94 94 GLU C C 13 176.33 0.50 . 1 . . . . . . . . 4965 1 1090 . 1 1 94 94 GLU CA C 13 56.95 0.50 . 1 . . . . . . . . 4965 1 1091 . 1 1 94 94 GLU CB C 13 30.27 0.50 . 1 . . . . . . . . 4965 1 1092 . 1 1 94 94 GLU CG C 13 36.36 0.50 . 1 . . . . . . . . 4965 1 1093 . 1 1 94 94 GLU CD C 13 183.81 0.50 . 1 . . . . . . . . 4965 1 1094 . 1 1 94 94 GLU N N 15 120.59 0.25 . 1 . . . . . . . . 4965 1 1095 . 1 1 95 95 LYS H H 1 8.33 0.03 . 1 . . . . . . . . 4965 1 1096 . 1 1 95 95 LYS HA H 1 4.37 0.03 . 1 . . . . . . . . 4965 1 1097 . 1 1 95 95 LYS HB3 H 1 1.81 0.03 . 2 . . . . . . . . 4965 1 1098 . 1 1 95 95 LYS HG3 H 1 1.43 0.03 . 2 . . . . . . . . 4965 1 1099 . 1 1 95 95 LYS HD3 H 1 1.68 0.03 . 2 . . . . . . . . 4965 1 1100 . 1 1 95 95 LYS HE3 H 1 3.00 0.03 . 2 . . . . . . . . 4965 1 1101 . 1 1 95 95 LYS C C 13 176.21 0.50 . 1 . . . . . . . . 4965 1 1102 . 1 1 95 95 LYS CA C 13 56.16 0.50 . 1 . . . . . . . . 4965 1 1103 . 1 1 95 95 LYS CB C 13 33.13 0.50 . 1 . . . . . . . . 4965 1 1104 . 1 1 95 95 LYS CG C 13 24.75 0.50 . 1 . . . . . . . . 4965 1 1105 . 1 1 95 95 LYS CD C 13 29.13 0.50 . 1 . . . . . . . . 4965 1 1106 . 1 1 95 95 LYS CE C 13 42.52 0.50 . 1 . . . . . . . . 4965 1 1107 . 1 1 95 95 LYS N N 15 120.87 0.25 . 1 . . . . . . . . 4965 1 1108 . 1 1 96 96 VAL H H 1 8.13 0.03 . 1 . . . . . . . . 4965 1 1109 . 1 1 96 96 VAL HA H 1 4.22 0.03 . 1 . . . . . . . . 4965 1 1110 . 1 1 96 96 VAL HB H 1 2.09 0.03 . 1 . . . . . . . . 4965 1 1111 . 1 1 96 96 VAL HG11 H 1 0.97 0.03 . 2 . . . . . . . . 4965 1 1112 . 1 1 96 96 VAL HG12 H 1 0.97 0.03 . 2 . . . . . . . . 4965 1 1113 . 1 1 96 96 VAL HG13 H 1 0.97 0.03 . 2 . . . . . . . . 4965 1 1114 . 1 1 96 96 VAL C C 13 176.75 0.50 . 1 . . . . . . . . 4965 1 1115 . 1 1 96 96 VAL CA C 13 62.52 0.50 . 1 . . . . . . . . 4965 1 1116 . 1 1 96 96 VAL CB C 13 32.84 0.50 . 1 . . . . . . . . 4965 1 1117 . 1 1 96 96 VAL CG1 C 13 20.99 0.50 . 2 . . . . . . . . 4965 1 1118 . 1 1 96 96 VAL N N 15 120.33 0.25 . 1 . . . . . . . . 4965 1 1119 . 1 1 97 97 GLY H H 1 8.90 0.03 . 1 . . . . . . . . 4965 1 1120 . 1 1 97 97 GLY HA3 H 1 4.08 0.03 . 2 . . . . . . . . 4965 1 1121 . 1 1 97 97 GLY HA2 H 1 3.90 0.03 . 2 . . . . . . . . 4965 1 1122 . 1 1 97 97 GLY C C 13 172.20 0.50 . 1 . . . . . . . . 4965 1 1123 . 1 1 97 97 GLY CA C 13 45.54 0.50 . 1 . . . . . . . . 4965 1 1124 . 1 1 97 97 GLY N N 15 110.38 0.25 . 1 . . . . . . . . 4965 1 1125 . 1 1 98 98 ARG H H 1 8.22 0.03 . 1 . . . . . . . . 4965 1 1126 . 1 1 98 98 ARG HA H 1 5.49 0.03 . 1 . . . . . . . . 4965 1 1127 . 1 1 98 98 ARG HB3 H 1 1.73 0.03 . 2 . . . . . . . . 4965 1 1128 . 1 1 98 98 ARG HG3 H 1 1.52 0.03 . 2 . . . . . . . . 4965 1 1129 . 1 1 98 98 ARG HD3 H 1 3.12 0.03 . 2 . . . . . . . . 4965 1 1130 . 1 1 98 98 ARG HD2 H 1 3.08 0.03 . 2 . . . . . . . . 4965 1 1131 . 1 1 98 98 ARG HE H 1 7.23 0.03 . 1 . . . . . . . . 4965 1 1132 . 1 1 98 98 ARG C C 13 174.28 0.50 . 1 . . . . . . . . 4965 1 1133 . 1 1 98 98 ARG CA C 13 54.68 0.50 . 1 . . . . . . . . 4965 1 1134 . 1 1 98 98 ARG CB C 13 34.11 0.50 . 1 . . . . . . . . 4965 1 1135 . 1 1 98 98 ARG CG C 13 26.99 0.50 . 1 . . . . . . . . 4965 1 1136 . 1 1 98 98 ARG CD C 13 43.87 0.50 . 1 . . . . . . . . 4965 1 1137 . 1 1 98 98 ARG N N 15 121.16 0.25 . 1 . . . . . . . . 4965 1 1138 . 1 1 98 98 ARG NE N 15 84.22 0.25 . 1 . . . . . . . . 4965 1 1139 . 1 1 99 99 ILE H H 1 8.97 0.03 . 1 . . . . . . . . 4965 1 1140 . 1 1 99 99 ILE HA H 1 4.97 0.03 . 1 . . . . . . . . 4965 1 1141 . 1 1 99 99 ILE HB H 1 1.70 0.03 . 1 . . . . . . . . 4965 1 1142 . 1 1 99 99 ILE HG13 H 1 1.40 0.03 . 2 . . . . . . . . 4965 1 1143 . 1 1 99 99 ILE HG12 H 1 1.11 0.03 . 2 . . . . . . . . 4965 1 1144 . 1 1 99 99 ILE HG21 H 1 0.71 0.03 . 1 . . . . . . . . 4965 1 1145 . 1 1 99 99 ILE HG22 H 1 0.71 0.03 . 1 . . . . . . . . 4965 1 1146 . 1 1 99 99 ILE HG23 H 1 0.71 0.03 . 1 . . . . . . . . 4965 1 1147 . 1 1 99 99 ILE HD11 H 1 0.56 0.03 . 1 . . . . . . . . 4965 1 1148 . 1 1 99 99 ILE HD12 H 1 0.56 0.03 . 1 . . . . . . . . 4965 1 1149 . 1 1 99 99 ILE HD13 H 1 0.56 0.03 . 1 . . . . . . . . 4965 1 1150 . 1 1 99 99 ILE C C 13 173.97 0.50 . 1 . . . . . . . . 4965 1 1151 . 1 1 99 99 ILE CA C 13 58.99 0.50 . 1 . . . . . . . . 4965 1 1152 . 1 1 99 99 ILE CB C 13 42.41 0.50 . 1 . . . . . . . . 4965 1 1153 . 1 1 99 99 ILE CG1 C 13 25.85 0.50 . 1 . . . . . . . . 4965 1 1154 . 1 1 99 99 ILE CG2 C 13 17.71 0.50 . 1 . . . . . . . . 4965 1 1155 . 1 1 99 99 ILE CD1 C 13 14.53 0.50 . 1 . . . . . . . . 4965 1 1156 . 1 1 99 99 ILE N N 15 117.20 0.25 . 1 . . . . . . . . 4965 1 1157 . 1 1 100 100 THR H H 1 9.03 0.03 . 1 . . . . . . . . 4965 1 1158 . 1 1 100 100 THR HA H 1 5.15 0.03 . 1 . . . . . . . . 4965 1 1159 . 1 1 100 100 THR HB H 1 4.90 0.03 . 1 . . . . . . . . 4965 1 1160 . 1 1 100 100 THR HG21 H 1 1.26 0.03 . 1 . . . . . . . . 4965 1 1161 . 1 1 100 100 THR HG22 H 1 1.26 0.03 . 1 . . . . . . . . 4965 1 1162 . 1 1 100 100 THR HG23 H 1 1.26 0.03 . 1 . . . . . . . . 4965 1 1163 . 1 1 100 100 THR C C 13 176.96 0.50 . 1 . . . . . . . . 4965 1 1164 . 1 1 100 100 THR CA C 13 60.23 0.50 . 1 . . . . . . . . 4965 1 1165 . 1 1 100 100 THR CB C 13 71.54 0.50 . 1 . . . . . . . . 4965 1 1166 . 1 1 100 100 THR CG2 C 13 21.75 0.50 . 1 . . . . . . . . 4965 1 1167 . 1 1 100 100 THR N N 15 113.30 0.25 . 1 . . . . . . . . 4965 1 1168 . 1 1 101 101 TRP H H 1 8.58 0.03 . 1 . . . . . . . . 4965 1 1169 . 1 1 101 101 TRP HA H 1 4.34 0.03 . 1 . . . . . . . . 4965 1 1170 . 1 1 101 101 TRP HB3 H 1 3.17 0.03 . 2 . . . . . . . . 4965 1 1171 . 1 1 101 101 TRP HB2 H 1 3.03 0.03 . 2 . . . . . . . . 4965 1 1172 . 1 1 101 101 TRP HD1 H 1 7.21 0.03 . 1 . . . . . . . . 4965 1 1173 . 1 1 101 101 TRP HE1 H 1 10.45 0.03 . 1 . . . . . . . . 4965 1 1174 . 1 1 101 101 TRP HE3 H 1 7.18 0.03 . 1 . . . . . . . . 4965 1 1175 . 1 1 101 101 TRP HZ2 H 1 7.50 0.03 . 1 . . . . . . . . 4965 1 1176 . 1 1 101 101 TRP HZ3 H 1 6.90 0.03 . 1 . . . . . . . . 4965 1 1177 . 1 1 101 101 TRP HH2 H 1 6.92 0.03 . 1 . . . . . . . . 4965 1 1178 . 1 1 101 101 TRP C C 13 176.70 0.50 . 1 . . . . . . . . 4965 1 1179 . 1 1 101 101 TRP CA C 13 59.70 0.50 . 1 . . . . . . . . 4965 1 1180 . 1 1 101 101 TRP CB C 13 29.85 0.50 . 1 . . . . . . . . 4965 1 1181 . 1 1 101 101 TRP CD1 C 13 127.25 0.50 . 1 . . . . . . . . 4965 1 1182 . 1 1 101 101 TRP CE3 C 13 119.21 0.50 . 1 . . . . . . . . 4965 1 1183 . 1 1 101 101 TRP CZ2 C 13 115.05 0.50 . 1 . . . . . . . . 4965 1 1184 . 1 1 101 101 TRP CZ3 C 13 121.10 0.50 . 1 . . . . . . . . 4965 1 1185 . 1 1 101 101 TRP CH2 C 13 123.99 0.50 . 1 . . . . . . . . 4965 1 1186 . 1 1 101 101 TRP N N 15 121.92 0.25 . 1 . . . . . . . . 4965 1 1187 . 1 1 101 101 TRP NE1 N 15 129.16 0.25 . 1 . . . . . . . . 4965 1 1188 . 1 1 102 102 GLU H H 1 8.56 0.03 . 1 . . . . . . . . 4965 1 1189 . 1 1 102 102 GLU HA H 1 3.85 0.03 . 1 . . . . . . . . 4965 1 1190 . 1 1 102 102 GLU HB2 H 1 2.08 0.03 . 1 . . . . . . . . 4965 1 1191 . 1 1 102 102 GLU HB3 H 1 2.00 0.03 . 1 . . . . . . . . 4965 1 1192 . 1 1 102 102 GLU HG3 H 1 2.41 0.03 . 2 . . . . . . . . 4965 1 1193 . 1 1 102 102 GLU HG2 H 1 2.39 0.03 . 2 . . . . . . . . 4965 1 1194 . 1 1 102 102 GLU C C 13 179.83 0.50 . 1 . . . . . . . . 4965 1 1195 . 1 1 102 102 GLU CA C 13 60.89 0.50 . 1 . . . . . . . . 4965 1 1196 . 1 1 102 102 GLU CB C 13 29.05 0.50 . 1 . . . . . . . . 4965 1 1197 . 1 1 102 102 GLU CG C 13 37.24 0.50 . 1 . . . . . . . . 4965 1 1198 . 1 1 102 102 GLU CD C 13 183.99 0.50 . 1 . . . . . . . . 4965 1 1199 . 1 1 102 102 GLU N N 15 115.93 0.25 . 1 . . . . . . . . 4965 1 1200 . 1 1 103 103 GLN H H 1 7.74 0.03 . 1 . . . . . . . . 4965 1 1201 . 1 1 103 103 GLN HA H 1 4.05 0.03 . 1 . . . . . . . . 4965 1 1202 . 1 1 103 103 GLN HB2 H 1 2.65 0.03 . 1 . . . . . . . . 4965 1 1203 . 1 1 103 103 GLN HB3 H 1 1.73 0.03 . 1 . . . . . . . . 4965 1 1204 . 1 1 103 103 GLN HG3 H 1 2.50 0.03 . 2 . . . . . . . . 4965 1 1205 . 1 1 103 103 GLN HG2 H 1 2.36 0.03 . 2 . . . . . . . . 4965 1 1206 . 1 1 103 103 GLN HE21 H 1 7.96 0.03 . 2 . . . . . . . . 4965 1 1207 . 1 1 103 103 GLN HE22 H 1 6.70 0.03 . 2 . . . . . . . . 4965 1 1208 . 1 1 103 103 GLN C C 13 179.06 0.50 . 1 . . . . . . . . 4965 1 1209 . 1 1 103 103 GLN CA C 13 59.25 0.50 . 1 . . . . . . . . 4965 1 1210 . 1 1 103 103 GLN CB C 13 29.59 0.50 . 1 . . . . . . . . 4965 1 1211 . 1 1 103 103 GLN CG C 13 35.50 0.50 . 1 . . . . . . . . 4965 1 1212 . 1 1 103 103 GLN CD C 13 180.19 0.50 . 1 . . . . . . . . 4965 1 1213 . 1 1 103 103 GLN N N 15 118.73 0.25 . 1 . . . . . . . . 4965 1 1214 . 1 1 103 103 GLN NE2 N 15 112.86 0.25 . 1 . . . . . . . . 4965 1 1215 . 1 1 104 104 VAL H H 1 8.13 0.03 . 1 . . . . . . . . 4965 1 1216 . 1 1 104 104 VAL HA H 1 3.13 0.03 . 1 . . . . . . . . 4965 1 1217 . 1 1 104 104 VAL HB H 1 2.00 0.03 . 1 . . . . . . . . 4965 1 1218 . 1 1 104 104 VAL HG11 H 1 0.86 0.03 . 2 . . . . . . . . 4965 1 1219 . 1 1 104 104 VAL HG12 H 1 0.86 0.03 . 2 . . . . . . . . 4965 1 1220 . 1 1 104 104 VAL HG13 H 1 0.86 0.03 . 2 . . . . . . . . 4965 1 1221 . 1 1 104 104 VAL HG21 H 1 0.36 0.03 . 2 . . . . . . . . 4965 1 1222 . 1 1 104 104 VAL HG22 H 1 0.36 0.03 . 2 . . . . . . . . 4965 1 1223 . 1 1 104 104 VAL HG23 H 1 0.36 0.03 . 2 . . . . . . . . 4965 1 1224 . 1 1 104 104 VAL C C 13 177.59 0.50 . 1 . . . . . . . . 4965 1 1225 . 1 1 104 104 VAL CA C 13 67.34 0.50 . 1 . . . . . . . . 4965 1 1226 . 1 1 104 104 VAL CB C 13 30.11 0.50 . 1 . . . . . . . . 4965 1 1227 . 1 1 104 104 VAL CG1 C 13 23.66 0.50 . 2 . . . . . . . . 4965 1 1228 . 1 1 104 104 VAL CG2 C 13 22.31 0.50 . 2 . . . . . . . . 4965 1 1229 . 1 1 104 104 VAL N N 15 121.20 0.25 . 1 . . . . . . . . 4965 1 1230 . 1 1 105 105 LEU H H 1 8.17 0.03 . 1 . . . . . . . . 4965 1 1231 . 1 1 105 105 LEU HA H 1 3.54 0.03 . 1 . . . . . . . . 4965 1 1232 . 1 1 105 105 LEU HB2 H 1 1.77 0.03 . 1 . . . . . . . . 4965 1 1233 . 1 1 105 105 LEU HB3 H 1 1.17 0.03 . 1 . . . . . . . . 4965 1 1234 . 1 1 105 105 LEU HG H 1 0.93 0.03 . 2 . . . . . . . . 4965 1 1235 . 1 1 105 105 LEU HD11 H 1 0.79 0.03 . 2 . . . . . . . . 4965 1 1236 . 1 1 105 105 LEU HD12 H 1 0.79 0.03 . 2 . . . . . . . . 4965 1 1237 . 1 1 105 105 LEU HD13 H 1 0.79 0.03 . 2 . . . . . . . . 4965 1 1238 . 1 1 105 105 LEU HD21 H 1 0.56 0.03 . 2 . . . . . . . . 4965 1 1239 . 1 1 105 105 LEU HD22 H 1 0.56 0.03 . 2 . . . . . . . . 4965 1 1240 . 1 1 105 105 LEU HD23 H 1 0.56 0.03 . 2 . . . . . . . . 4965 1 1241 . 1 1 105 105 LEU C C 13 179.00 0.50 . 1 . . . . . . . . 4965 1 1242 . 1 1 105 105 LEU CA C 13 58.01 0.50 . 1 . . . . . . . . 4965 1 1243 . 1 1 105 105 LEU CB C 13 42.03 0.50 . 1 . . . . . . . . 4965 1 1244 . 1 1 105 105 LEU CG C 13 26.43 0.50 . 1 . . . . . . . . 4965 1 1245 . 1 1 105 105 LEU CD1 C 13 25.67 0.50 . 2 . . . . . . . . 4965 1 1246 . 1 1 105 105 LEU CD2 C 13 22.39 0.50 . 2 . . . . . . . . 4965 1 1247 . 1 1 105 105 LEU N N 15 118.90 0.25 . 1 . . . . . . . . 4965 1 1248 . 1 1 106 106 GLU H H 1 7.49 0.03 . 1 . . . . . . . . 4965 1 1249 . 1 1 106 106 GLU HA H 1 3.95 0.03 . 1 . . . . . . . . 4965 1 1250 . 1 1 106 106 GLU HB3 H 1 2.13 0.03 . 2 . . . . . . . . 4965 1 1251 . 1 1 106 106 GLU HG3 H 1 2.38 0.03 . 2 . . . . . . . . 4965 1 1252 . 1 1 106 106 GLU HG2 H 1 2.24 0.03 . 2 . . . . . . . . 4965 1 1253 . 1 1 106 106 GLU C C 13 179.70 0.50 . 1 . . . . . . . . 4965 1 1254 . 1 1 106 106 GLU CA C 13 59.43 0.50 . 1 . . . . . . . . 4965 1 1255 . 1 1 106 106 GLU CB C 13 29.70 0.50 . 1 . . . . . . . . 4965 1 1256 . 1 1 106 106 GLU CG C 13 36.02 0.50 . 1 . . . . . . . . 4965 1 1257 . 1 1 106 106 GLU CD C 13 183.41 0.50 . 1 . . . . . . . . 4965 1 1258 . 1 1 106 106 GLU N N 15 118.23 0.25 . 1 . . . . . . . . 4965 1 1259 . 1 1 107 107 ILE H H 1 7.91 0.03 . 1 . . . . . . . . 4965 1 1260 . 1 1 107 107 ILE HA H 1 3.66 0.03 . 1 . . . . . . . . 4965 1 1261 . 1 1 107 107 ILE HB H 1 1.77 0.03 . 1 . . . . . . . . 4965 1 1262 . 1 1 107 107 ILE HG13 H 1 1.97 0.03 . 2 . . . . . . . . 4965 1 1263 . 1 1 107 107 ILE HG12 H 1 0.82 0.03 . 2 . . . . . . . . 4965 1 1264 . 1 1 107 107 ILE HG21 H 1 0.79 0.03 . 1 . . . . . . . . 4965 1 1265 . 1 1 107 107 ILE HG22 H 1 0.79 0.03 . 1 . . . . . . . . 4965 1 1266 . 1 1 107 107 ILE HG23 H 1 0.79 0.03 . 1 . . . . . . . . 4965 1 1267 . 1 1 107 107 ILE HD11 H 1 0.55 0.03 . 1 . . . . . . . . 4965 1 1268 . 1 1 107 107 ILE HD12 H 1 0.55 0.03 . 1 . . . . . . . . 4965 1 1269 . 1 1 107 107 ILE HD13 H 1 0.55 0.03 . 1 . . . . . . . . 4965 1 1270 . 1 1 107 107 ILE C C 13 177.60 0.50 . 1 . . . . . . . . 4965 1 1271 . 1 1 107 107 ILE CA C 13 65.48 0.50 . 1 . . . . . . . . 4965 1 1272 . 1 1 107 107 ILE CB C 13 38.33 0.50 . 1 . . . . . . . . 4965 1 1273 . 1 1 107 107 ILE CG1 C 13 29.17 0.50 . 1 . . . . . . . . 4965 1 1274 . 1 1 107 107 ILE CG2 C 13 17.74 0.50 . 1 . . . . . . . . 4965 1 1275 . 1 1 107 107 ILE CD1 C 13 13.50 0.50 . 1 . . . . . . . . 4965 1 1276 . 1 1 107 107 ILE N N 15 120.66 0.25 . 1 . . . . . . . . 4965 1 1277 . 1 1 108 108 ALA H H 1 8.93 0.03 . 1 . . . . . . . . 4965 1 1278 . 1 1 108 108 ALA HA H 1 3.54 0.03 . 1 . . . . . . . . 4965 1 1279 . 1 1 108 108 ALA HB1 H 1 1.21 0.03 . 1 . . . . . . . . 4965 1 1280 . 1 1 108 108 ALA HB2 H 1 1.21 0.03 . 1 . . . . . . . . 4965 1 1281 . 1 1 108 108 ALA HB3 H 1 1.21 0.03 . 1 . . . . . . . . 4965 1 1282 . 1 1 108 108 ALA C C 13 178.49 0.50 . 1 . . . . . . . . 4965 1 1283 . 1 1 108 108 ALA CA C 13 55.71 0.50 . 1 . . . . . . . . 4965 1 1284 . 1 1 108 108 ALA CB C 13 17.40 0.50 . 1 . . . . . . . . 4965 1 1285 . 1 1 108 108 ALA N N 15 121.81 0.25 . 1 . . . . . . . . 4965 1 1286 . 1 1 109 109 LYS H H 1 8.05 0.03 . 1 . . . . . . . . 4965 1 1287 . 1 1 109 109 LYS HA H 1 3.87 0.03 . 1 . . . . . . . . 4965 1 1288 . 1 1 109 109 LYS HB3 H 1 1.89 0.03 . 2 . . . . . . . . 4965 1 1289 . 1 1 109 109 LYS HG3 H 1 1.67 0.03 . 2 . . . . . . . . 4965 1 1290 . 1 1 109 109 LYS HG2 H 1 1.44 0.03 . 2 . . . . . . . . 4965 1 1291 . 1 1 109 109 LYS HD3 H 1 1.71 0.03 . 2 . . . . . . . . 4965 1 1292 . 1 1 109 109 LYS HE3 H 1 2.94 0.03 . 2 . . . . . . . . 4965 1 1293 . 1 1 109 109 LYS HE2 H 1 2.86 0.03 . 2 . . . . . . . . 4965 1 1294 . 1 1 109 109 LYS C C 13 179.20 0.50 . 1 . . . . . . . . 4965 1 1295 . 1 1 109 109 LYS CA C 13 59.96 0.50 . 1 . . . . . . . . 4965 1 1296 . 1 1 109 109 LYS CB C 13 32.81 0.50 . 1 . . . . . . . . 4965 1 1297 . 1 1 109 109 LYS CG C 13 25.91 0.50 . 1 . . . . . . . . 4965 1 1298 . 1 1 109 109 LYS CD C 13 29.76 0.50 . 1 . . . . . . . . 4965 1 1299 . 1 1 109 109 LYS CE C 13 42.25 0.50 . 1 . . . . . . . . 4965 1 1300 . 1 1 109 109 LYS N N 15 115.14 0.25 . 1 . . . . . . . . 4965 1 1301 . 1 1 110 110 GLN H H 1 7.44 0.03 . 1 . . . . . . . . 4965 1 1302 . 1 1 110 110 GLN HA H 1 4.13 0.03 . 1 . . . . . . . . 4965 1 1303 . 1 1 110 110 GLN HB2 H 1 2.27 0.03 . 1 . . . . . . . . 4965 1 1304 . 1 1 110 110 GLN HB3 H 1 2.10 0.03 . 1 . . . . . . . . 4965 1 1305 . 1 1 110 110 GLN HG3 H 1 2.58 0.03 . 2 . . . . . . . . 4965 1 1306 . 1 1 110 110 GLN HG2 H 1 2.38 0.03 . 2 . . . . . . . . 4965 1 1307 . 1 1 110 110 GLN HE21 H 1 7.23 0.03 . 2 . . . . . . . . 4965 1 1308 . 1 1 110 110 GLN HE22 H 1 6.71 0.03 . 2 . . . . . . . . 4965 1 1309 . 1 1 110 110 GLN C C 13 177.98 0.50 . 1 . . . . . . . . 4965 1 1310 . 1 1 110 110 GLN CA C 13 58.27 0.50 . 1 . . . . . . . . 4965 1 1311 . 1 1 110 110 GLN CB C 13 29.61 0.50 . 1 . . . . . . . . 4965 1 1312 . 1 1 110 110 GLN CG C 13 34.50 0.50 . 1 . . . . . . . . 4965 1 1313 . 1 1 110 110 GLN CD C 13 179.11 0.50 . 1 . . . . . . . . 4965 1 1314 . 1 1 110 110 GLN N N 15 115.53 0.25 . 1 . . . . . . . . 4965 1 1315 . 1 1 110 110 GLN NE2 N 15 109.39 0.25 . 1 . . . . . . . . 4965 1 1316 . 1 1 111 111 LYS H H 1 8.04 0.03 . 1 . . . . . . . . 4965 1 1317 . 1 1 111 111 LYS HA H 1 4.55 0.03 . 1 . . . . . . . . 4965 1 1318 . 1 1 111 111 LYS HB2 H 1 1.74 0.03 . 1 . . . . . . . . 4965 1 1319 . 1 1 111 111 LYS HB3 H 1 2.02 0.03 . 1 . . . . . . . . 4965 1 1320 . 1 1 111 111 LYS C C 13 176.63 0.50 . 1 . . . . . . . . 4965 1 1321 . 1 1 111 111 LYS CA C 13 53.29 0.50 . 1 . . . . . . . . 4965 1 1322 . 1 1 111 111 LYS CB C 13 30.70 0.50 . 1 . . . . . . . . 4965 1 1323 . 1 1 111 111 LYS CG C 13 23.45 0.50 . 1 . . . . . . . . 4965 1 1324 . 1 1 111 111 LYS CD C 13 26.09 0.50 . 1 . . . . . . . . 4965 1 1325 . 1 1 111 111 LYS N N 15 113.39 0.25 . 1 . . . . . . . . 4965 1 1326 . 1 1 112 112 MET H H 1 7.75 0.03 . 1 . . . . . . . . 4965 1 1327 . 1 1 112 112 MET HA H 1 4.02 0.03 . 1 . . . . . . . . 4965 1 1328 . 1 1 112 112 MET HB3 H 1 2.28 0.03 . 2 . . . . . . . . 4965 1 1329 . 1 1 112 112 MET HG3 H 1 2.69 0.03 . 2 . . . . . . . . 4965 1 1330 . 1 1 112 112 MET HG2 H 1 2.51 0.03 . 2 . . . . . . . . 4965 1 1331 . 1 1 112 112 MET HE1 H 1 1.96 0.03 . 1 . . . . . . . . 4965 1 1332 . 1 1 112 112 MET HE2 H 1 1.96 0.03 . 1 . . . . . . . . 4965 1 1333 . 1 1 112 112 MET HE3 H 1 1.96 0.03 . 1 . . . . . . . . 4965 1 1334 . 1 1 112 112 MET C C 13 174.48 0.50 . 1 . . . . . . . . 4965 1 1335 . 1 1 112 112 MET CA C 13 61.83 0.50 . 1 . . . . . . . . 4965 1 1336 . 1 1 112 112 MET CB C 13 31.06 0.50 . 1 . . . . . . . . 4965 1 1337 . 1 1 112 112 MET CG C 13 32.95 0.50 . 1 . . . . . . . . 4965 1 1338 . 1 1 112 112 MET CE C 13 16.73 0.50 . 1 . . . . . . . . 4965 1 1339 . 1 1 112 112 MET N N 15 120.98 0.25 . 1 . . . . . . . . 4965 1 1340 . 1 1 113 113 PRO HA H 1 4.45 0.03 . 1 . . . . . . . . 4965 1 1341 . 1 1 113 113 PRO HB3 H 1 2.39 0.03 . 2 . . . . . . . . 4965 1 1342 . 1 1 113 113 PRO HB2 H 1 1.82 0.03 . 2 . . . . . . . . 4965 1 1343 . 1 1 113 113 PRO HG3 H 1 2.10 0.03 . 2 . . . . . . . . 4965 1 1344 . 1 1 113 113 PRO HG2 H 1 2.02 0.03 . 2 . . . . . . . . 4965 1 1345 . 1 1 113 113 PRO HD3 H 1 3.68 0.03 . 2 . . . . . . . . 4965 1 1346 . 1 1 113 113 PRO HD2 H 1 3.53 0.03 . 2 . . . . . . . . 4965 1 1347 . 1 1 113 113 PRO C C 13 178.76 0.50 . 1 . . . . . . . . 4965 1 1348 . 1 1 113 113 PRO CA C 13 66.05 0.50 . 1 . . . . . . . . 4965 1 1349 . 1 1 113 113 PRO CB C 13 31.23 0.50 . 1 . . . . . . . . 4965 1 1350 . 1 1 113 113 PRO CG C 13 28.29 0.50 . 1 . . . . . . . . 4965 1 1351 . 1 1 113 113 PRO CD C 13 50.25 0.50 . 1 . . . . . . . . 4965 1 1352 . 1 1 114 114 ASP H H 1 7.87 0.03 . 1 . . . . . . . . 4965 1 1353 . 1 1 114 114 ASP HA H 1 4.67 0.03 . 1 . . . . . . . . 4965 1 1354 . 1 1 114 114 ASP HB2 H 1 2.88 0.03 . 1 . . . . . . . . 4965 1 1355 . 1 1 114 114 ASP HB3 H 1 2.65 0.03 . 1 . . . . . . . . 4965 1 1356 . 1 1 114 114 ASP C C 13 177.14 0.50 . 1 . . . . . . . . 4965 1 1357 . 1 1 114 114 ASP CA C 13 55.41 0.50 . 1 . . . . . . . . 4965 1 1358 . 1 1 114 114 ASP CB C 13 41.62 0.50 . 1 . . . . . . . . 4965 1 1359 . 1 1 114 114 ASP CG C 13 179.66 0.50 . 1 . . . . . . . . 4965 1 1360 . 1 1 114 114 ASP N N 15 115.62 0.25 . 1 . . . . . . . . 4965 1 1361 . 1 1 115 115 LEU H H 1 7.93 0.03 . 1 . . . . . . . . 4965 1 1362 . 1 1 115 115 LEU HA H 1 4.39 0.03 . 1 . . . . . . . . 4965 1 1363 . 1 1 115 115 LEU HB3 H 1 1.76 0.03 . 2 . . . . . . . . 4965 1 1364 . 1 1 115 115 LEU HB2 H 1 1.51 0.03 . 2 . . . . . . . . 4965 1 1365 . 1 1 115 115 LEU HG H 1 0.83 0.03 . 2 . . . . . . . . 4965 1 1366 . 1 1 115 115 LEU HD11 H 1 0.87 0.03 . 2 . . . . . . . . 4965 1 1367 . 1 1 115 115 LEU HD12 H 1 0.87 0.03 . 2 . . . . . . . . 4965 1 1368 . 1 1 115 115 LEU HD13 H 1 0.87 0.03 . 2 . . . . . . . . 4965 1 1369 . 1 1 115 115 LEU C C 13 176.36 0.50 . 1 . . . . . . . . 4965 1 1370 . 1 1 115 115 LEU CA C 13 54.77 0.50 . 1 . . . . . . . . 4965 1 1371 . 1 1 115 115 LEU CB C 13 42.65 0.50 . 1 . . . . . . . . 4965 1 1372 . 1 1 115 115 LEU CG C 13 25.88 0.50 . 1 . . . . . . . . 4965 1 1373 . 1 1 115 115 LEU CD1 C 13 21.76 0.50 . 2 . . . . . . . . 4965 1 1374 . 1 1 115 115 LEU N N 15 119.36 0.25 . 1 . . . . . . . . 4965 1 1375 . 1 1 116 116 ASN H H 1 8.16 0.03 . 1 . . . . . . . . 4965 1 1376 . 1 1 116 116 ASN HA H 1 4.45 0.03 . 1 . . . . . . . . 4965 1 1377 . 1 1 116 116 ASN HB2 H 1 2.71 0.03 . 1 . . . . . . . . 4965 1 1378 . 1 1 116 116 ASN HB3 H 1 3.09 0.03 . 1 . . . . . . . . 4965 1 1379 . 1 1 116 116 ASN HD21 H 1 7.54 0.03 . 2 . . . . . . . . 4965 1 1380 . 1 1 116 116 ASN HD22 H 1 6.81 0.03 . 2 . . . . . . . . 4965 1 1381 . 1 1 116 116 ASN C C 13 173.83 0.50 . 1 . . . . . . . . 4965 1 1382 . 1 1 116 116 ASN CA C 13 53.86 0.50 . 1 . . . . . . . . 4965 1 1383 . 1 1 116 116 ASN CB C 13 37.29 0.50 . 1 . . . . . . . . 4965 1 1384 . 1 1 116 116 ASN CG C 13 178.14 0.50 . 1 . . . . . . . . 4965 1 1385 . 1 1 116 116 ASN N N 15 115.41 0.25 . 1 . . . . . . . . 4965 1 1386 . 1 1 116 116 ASN ND2 N 15 111.87 0.25 . 1 . . . . . . . . 4965 1 1387 . 1 1 117 117 THR H H 1 7.48 0.03 . 1 . . . . . . . . 4965 1 1388 . 1 1 117 117 THR HA H 1 4.73 0.03 . 1 . . . . . . . . 4965 1 1389 . 1 1 117 117 THR HB H 1 4.10 0.03 . 1 . . . . . . . . 4965 1 1390 . 1 1 117 117 THR HG21 H 1 1.00 0.03 . 1 . . . . . . . . 4965 1 1391 . 1 1 117 117 THR HG22 H 1 1.00 0.03 . 1 . . . . . . . . 4965 1 1392 . 1 1 117 117 THR HG23 H 1 1.00 0.03 . 1 . . . . . . . . 4965 1 1393 . 1 1 117 117 THR C C 13 172.57 0.50 . 1 . . . . . . . . 4965 1 1394 . 1 1 117 117 THR CA C 13 60.36 0.50 . 1 . . . . . . . . 4965 1 1395 . 1 1 117 117 THR CB C 13 69.36 0.50 . 1 . . . . . . . . 4965 1 1396 . 1 1 117 117 THR CG2 C 13 19.88 0.50 . 1 . . . . . . . . 4965 1 1397 . 1 1 117 117 THR N N 15 110.31 0.25 . 1 . . . . . . . . 4965 1 1398 . 1 1 118 118 THR H H 1 8.12 0.03 . 1 . . . . . . . . 4965 1 1399 . 1 1 118 118 THR HA H 1 4.54 0.03 . 1 . . . . . . . . 4965 1 1400 . 1 1 118 118 THR HB H 1 4.55 0.03 . 1 . . . . . . . . 4965 1 1401 . 1 1 118 118 THR HG21 H 1 1.18 0.03 . 1 . . . . . . . . 4965 1 1402 . 1 1 118 118 THR HG22 H 1 1.18 0.03 . 1 . . . . . . . . 4965 1 1403 . 1 1 118 118 THR HG23 H 1 1.18 0.03 . 1 . . . . . . . . 4965 1 1404 . 1 1 118 118 THR C C 13 173.91 0.50 . 1 . . . . . . . . 4965 1 1405 . 1 1 118 118 THR CA C 13 61.63 0.50 . 1 . . . . . . . . 4965 1 1406 . 1 1 118 118 THR CB C 13 69.13 0.50 . 1 . . . . . . . . 4965 1 1407 . 1 1 118 118 THR CG2 C 13 21.54 0.50 . 1 . . . . . . . . 4965 1 1408 . 1 1 118 118 THR N N 15 113.61 0.25 . 1 . . . . . . . . 4965 1 1409 . 1 1 119 119 ASP H H 1 8.41 0.03 . 1 . . . . . . . . 4965 1 1410 . 1 1 119 119 ASP HA H 1 4.76 0.03 . 1 . . . . . . . . 4965 1 1411 . 1 1 119 119 ASP HB2 H 1 2.97 0.03 . 2 . . . . . . . . 4965 1 1412 . 1 1 119 119 ASP HB3 H 1 2.58 0.03 . 2 . . . . . . . . 4965 1 1413 . 1 1 119 119 ASP C C 13 175.29 0.50 . 1 . . . . . . . . 4965 1 1414 . 1 1 119 119 ASP CA C 13 53.03 0.50 . 1 . . . . . . . . 4965 1 1415 . 1 1 119 119 ASP CB C 13 42.39 0.50 . 1 . . . . . . . . 4965 1 1416 . 1 1 119 119 ASP N N 15 124.56 0.25 . 1 . . . . . . . . 4965 1 1417 . 1 1 120 120 LEU H H 1 8.72 0.03 . 1 . . . . . . . . 4965 1 1418 . 1 1 120 120 LEU HA H 1 4.08 0.03 . 1 . . . . . . . . 4965 1 1419 . 1 1 120 120 LEU HB3 H 1 1.82 0.03 . 2 . . . . . . . . 4965 1 1420 . 1 1 120 120 LEU HB2 H 1 1.56 0.03 . 2 . . . . . . . . 4965 1 1421 . 1 1 120 120 LEU HG H 1 1.56 0.03 . 2 . . . . . . . . 4965 1 1422 . 1 1 120 120 LEU HD11 H 1 0.95 0.03 . 2 . . . . . . . . 4965 1 1423 . 1 1 120 120 LEU HD12 H 1 0.95 0.03 . 2 . . . . . . . . 4965 1 1424 . 1 1 120 120 LEU HD13 H 1 0.95 0.03 . 2 . . . . . . . . 4965 1 1425 . 1 1 120 120 LEU HD21 H 1 0.93 0.03 . 2 . . . . . . . . 4965 1 1426 . 1 1 120 120 LEU HD22 H 1 0.93 0.03 . 2 . . . . . . . . 4965 1 1427 . 1 1 120 120 LEU HD23 H 1 0.93 0.03 . 2 . . . . . . . . 4965 1 1428 . 1 1 120 120 LEU C C 13 177.95 0.50 . 1 . . . . . . . . 4965 1 1429 . 1 1 120 120 LEU CA C 13 58.20 0.50 . 1 . . . . . . . . 4965 1 1430 . 1 1 120 120 LEU CB C 13 41.86 0.50 . 1 . . . . . . . . 4965 1 1431 . 1 1 120 120 LEU CG C 13 27.11 0.50 . 1 . . . . . . . . 4965 1 1432 . 1 1 120 120 LEU CD1 C 13 25.86 0.50 . 2 . . . . . . . . 4965 1 1433 . 1 1 120 120 LEU CD2 C 13 23.61 0.50 . 2 . . . . . . . . 4965 1 1434 . 1 1 120 120 LEU N N 15 127.95 0.25 . 1 . . . . . . . . 4965 1 1435 . 1 1 121 121 GLU H H 1 8.10 0.03 . 1 . . . . . . . . 4965 1 1436 . 1 1 121 121 GLU HA H 1 4.00 0.03 . 1 . . . . . . . . 4965 1 1437 . 1 1 121 121 GLU HB3 H 1 2.19 0.03 . 2 . . . . . . . . 4965 1 1438 . 1 1 121 121 GLU HG3 H 1 2.45 0.03 . 2 . . . . . . . . 4965 1 1439 . 1 1 121 121 GLU HG2 H 1 2.40 0.03 . 2 . . . . . . . . 4965 1 1440 . 1 1 121 121 GLU C C 13 179.30 0.50 . 1 . . . . . . . . 4965 1 1441 . 1 1 121 121 GLU CA C 13 60.07 0.50 . 1 . . . . . . . . 4965 1 1442 . 1 1 121 121 GLU CB C 13 28.90 0.50 . 1 . . . . . . . . 4965 1 1443 . 1 1 121 121 GLU CG C 13 36.78 0.50 . 1 . . . . . . . . 4965 1 1444 . 1 1 121 121 GLU CD C 13 183.45 0.50 . 1 . . . . . . . . 4965 1 1445 . 1 1 121 121 GLU N N 15 117.27 0.25 . 1 . . . . . . . . 4965 1 1446 . 1 1 122 122 ALA H H 1 7.77 0.03 . 1 . . . . . . . . 4965 1 1447 . 1 1 122 122 ALA HA H 1 4.11 0.03 . 1 . . . . . . . . 4965 1 1448 . 1 1 122 122 ALA HB1 H 1 1.56 0.03 . 1 . . . . . . . . 4965 1 1449 . 1 1 122 122 ALA HB2 H 1 1.56 0.03 . 1 . . . . . . . . 4965 1 1450 . 1 1 122 122 ALA HB3 H 1 1.56 0.03 . 1 . . . . . . . . 4965 1 1451 . 1 1 122 122 ALA C C 13 181.18 0.50 . 1 . . . . . . . . 4965 1 1452 . 1 1 122 122 ALA CA C 13 54.91 0.50 . 1 . . . . . . . . 4965 1 1453 . 1 1 122 122 ALA CB C 13 18.05 0.50 . 1 . . . . . . . . 4965 1 1454 . 1 1 122 122 ALA N N 15 122.05 0.25 . 1 . . . . . . . . 4965 1 1455 . 1 1 123 123 ALA H H 1 8.44 0.03 . 1 . . . . . . . . 4965 1 1456 . 1 1 123 123 ALA HA H 1 4.11 0.03 . 1 . . . . . . . . 4965 1 1457 . 1 1 123 123 ALA HB1 H 1 1.40 0.03 . 1 . . . . . . . . 4965 1 1458 . 1 1 123 123 ALA HB2 H 1 1.40 0.03 . 1 . . . . . . . . 4965 1 1459 . 1 1 123 123 ALA HB3 H 1 1.40 0.03 . 1 . . . . . . . . 4965 1 1460 . 1 1 123 123 ALA C C 13 179.02 0.50 . 1 . . . . . . . . 4965 1 1461 . 1 1 123 123 ALA CA C 13 54.96 0.50 . 1 . . . . . . . . 4965 1 1462 . 1 1 123 123 ALA CB C 13 18.94 0.50 . 1 . . . . . . . . 4965 1 1463 . 1 1 123 123 ALA N N 15 121.51 0.25 . 1 . . . . . . . . 4965 1 1464 . 1 1 124 124 ALA H H 1 8.93 0.03 . 1 . . . . . . . . 4965 1 1465 . 1 1 124 124 ALA HA H 1 3.54 0.03 . 1 . . . . . . . . 4965 1 1466 . 1 1 124 124 ALA HB1 H 1 1.18 0.03 . 1 . . . . . . . . 4965 1 1467 . 1 1 124 124 ALA HB2 H 1 1.18 0.03 . 1 . . . . . . . . 4965 1 1468 . 1 1 124 124 ALA HB3 H 1 1.18 0.03 . 1 . . . . . . . . 4965 1 1469 . 1 1 124 124 ALA C C 13 179.09 0.50 . 1 . . . . . . . . 4965 1 1470 . 1 1 124 124 ALA CA C 13 55.41 0.50 . 1 . . . . . . . . 4965 1 1471 . 1 1 124 124 ALA CB C 13 18.54 0.50 . 1 . . . . . . . . 4965 1 1472 . 1 1 124 124 ALA N N 15 121.01 0.25 . 1 . . . . . . . . 4965 1 1473 . 1 1 125 125 ARG H H 1 8.08 0.03 . 1 . . . . . . . . 4965 1 1474 . 1 1 125 125 ARG HA H 1 4.20 0.03 . 1 . . . . . . . . 4965 1 1475 . 1 1 125 125 ARG HB2 H 1 2.17 0.03 . 1 . . . . . . . . 4965 1 1476 . 1 1 125 125 ARG HB3 H 1 2.01 0.03 . 1 . . . . . . . . 4965 1 1477 . 1 1 125 125 ARG HG3 H 1 1.81 0.03 . 2 . . . . . . . . 4965 1 1478 . 1 1 125 125 ARG HD3 H 1 3.35 0.03 . 2 . . . . . . . . 4965 1 1479 . 1 1 125 125 ARG HD2 H 1 3.27 0.03 . 2 . . . . . . . . 4965 1 1480 . 1 1 125 125 ARG HE H 1 7.54 0.03 . 1 . . . . . . . . 4965 1 1481 . 1 1 125 125 ARG C C 13 180.50 0.50 . 1 . . . . . . . . 4965 1 1482 . 1 1 125 125 ARG CA C 13 60.33 0.50 . 1 . . . . . . . . 4965 1 1483 . 1 1 125 125 ARG CB C 13 30.00 0.50 . 1 . . . . . . . . 4965 1 1484 . 1 1 125 125 ARG CG C 13 28.66 0.50 . 1 . . . . . . . . 4965 1 1485 . 1 1 125 125 ARG CD C 13 43.57 0.50 . 1 . . . . . . . . 4965 1 1486 . 1 1 125 125 ARG N N 15 116.58 0.25 . 1 . . . . . . . . 4965 1 1487 . 1 1 125 125 ARG NE N 15 83.96 0.25 . 1 . . . . . . . . 4965 1 1488 . 1 1 126 126 MET H H 1 7.96 0.03 . 1 . . . . . . . . 4965 1 1489 . 1 1 126 126 MET HA H 1 4.23 0.03 . 1 . . . . . . . . 4965 1 1490 . 1 1 126 126 MET HB2 H 1 2.23 0.03 . 1 . . . . . . . . 4965 1 1491 . 1 1 126 126 MET HB3 H 1 2.45 0.03 . 1 . . . . . . . . 4965 1 1492 . 1 1 126 126 MET HG3 H 1 2.86 0.03 . 2 . . . . . . . . 4965 1 1493 . 1 1 126 126 MET HG2 H 1 2.63 0.03 . 2 . . . . . . . . 4965 1 1494 . 1 1 126 126 MET HE1 H 1 2.13 0.03 . 1 . . . . . . . . 4965 1 1495 . 1 1 126 126 MET HE2 H 1 2.13 0.03 . 1 . . . . . . . . 4965 1 1496 . 1 1 126 126 MET HE3 H 1 2.13 0.03 . 1 . . . . . . . . 4965 1 1497 . 1 1 126 126 MET C C 13 179.48 0.50 . 1 . . . . . . . . 4965 1 1498 . 1 1 126 126 MET CA C 13 59.53 0.50 . 1 . . . . . . . . 4965 1 1499 . 1 1 126 126 MET CB C 13 32.58 0.50 . 1 . . . . . . . . 4965 1 1500 . 1 1 126 126 MET CG C 13 32.55 0.50 . 1 . . . . . . . . 4965 1 1501 . 1 1 126 126 MET CE C 13 17.66 0.50 . 1 . . . . . . . . 4965 1 1502 . 1 1 126 126 MET N N 15 120.62 0.25 . 1 . . . . . . . . 4965 1 1503 . 1 1 127 127 ILE H H 1 8.37 0.03 . 1 . . . . . . . . 4965 1 1504 . 1 1 127 127 ILE HA H 1 3.73 0.03 . 1 . . . . . . . . 4965 1 1505 . 1 1 127 127 ILE HB H 1 2.17 0.03 . 1 . . . . . . . . 4965 1 1506 . 1 1 127 127 ILE HG13 H 1 1.91 0.03 . 2 . . . . . . . . 4965 1 1507 . 1 1 127 127 ILE HG12 H 1 1.00 0.03 . 2 . . . . . . . . 4965 1 1508 . 1 1 127 127 ILE HG21 H 1 0.81 0.03 . 1 . . . . . . . . 4965 1 1509 . 1 1 127 127 ILE HG22 H 1 0.81 0.03 . 1 . . . . . . . . 4965 1 1510 . 1 1 127 127 ILE HG23 H 1 0.81 0.03 . 1 . . . . . . . . 4965 1 1511 . 1 1 127 127 ILE HD11 H 1 0.66 0.03 . 1 . . . . . . . . 4965 1 1512 . 1 1 127 127 ILE HD12 H 1 0.66 0.03 . 1 . . . . . . . . 4965 1 1513 . 1 1 127 127 ILE HD13 H 1 0.66 0.03 . 1 . . . . . . . . 4965 1 1514 . 1 1 127 127 ILE C C 13 177.96 0.50 . 1 . . . . . . . . 4965 1 1515 . 1 1 127 127 ILE CA C 13 61.82 0.50 . 1 . . . . . . . . 4965 1 1516 . 1 1 127 127 ILE CB C 13 34.71 0.50 . 1 . . . . . . . . 4965 1 1517 . 1 1 127 127 ILE CG1 C 13 26.19 0.50 . 1 . . . . . . . . 4965 1 1518 . 1 1 127 127 ILE CG2 C 13 17.59 0.50 . 1 . . . . . . . . 4965 1 1519 . 1 1 127 127 ILE CD1 C 13 9.39 0.50 . 1 . . . . . . . . 4965 1 1520 . 1 1 127 127 ILE N N 15 121.35 0.25 . 1 . . . . . . . . 4965 1 1521 . 1 1 128 128 ALA H H 1 9.07 0.03 . 1 . . . . . . . . 4965 1 1522 . 1 1 128 128 ALA HA H 1 3.97 0.03 . 1 . . . . . . . . 4965 1 1523 . 1 1 128 128 ALA HB1 H 1 1.77 0.03 . 1 . . . . . . . . 4965 1 1524 . 1 1 128 128 ALA HB2 H 1 1.77 0.03 . 1 . . . . . . . . 4965 1 1525 . 1 1 128 128 ALA HB3 H 1 1.77 0.03 . 1 . . . . . . . . 4965 1 1526 . 1 1 128 128 ALA C C 13 179.74 0.50 . 1 . . . . . . . . 4965 1 1527 . 1 1 128 128 ALA CA C 13 55.55 0.50 . 1 . . . . . . . . 4965 1 1528 . 1 1 128 128 ALA CB C 13 18.43 0.50 . 1 . . . . . . . . 4965 1 1529 . 1 1 128 128 ALA N N 15 122.36 0.25 . 1 . . . . . . . . 4965 1 1530 . 1 1 129 129 GLY H H 1 8.22 0.03 . 1 . . . . . . . . 4965 1 1531 . 1 1 129 129 GLY HA3 H 1 4.03 0.03 . 2 . . . . . . . . 4965 1 1532 . 1 1 129 129 GLY HA2 H 1 3.93 0.03 . 2 . . . . . . . . 4965 1 1533 . 1 1 129 129 GLY C C 13 177.21 0.50 . 1 . . . . . . . . 4965 1 1534 . 1 1 129 129 GLY CA C 13 47.21 0.50 . 1 . . . . . . . . 4965 1 1535 . 1 1 129 129 GLY N N 15 105.13 0.25 . 1 . . . . . . . . 4965 1 1536 . 1 1 130 130 SER H H 1 8.19 0.03 . 1 . . . . . . . . 4965 1 1537 . 1 1 130 130 SER HA H 1 4.26 0.03 . 1 . . . . . . . . 4965 1 1538 . 1 1 130 130 SER HB3 H 1 4.00 0.03 . 2 . . . . . . . . 4965 1 1539 . 1 1 130 130 SER HB2 H 1 3.80 0.03 . 2 . . . . . . . . 4965 1 1540 . 1 1 130 130 SER C C 13 176.95 0.50 . 1 . . . . . . . . 4965 1 1541 . 1 1 130 130 SER CA C 13 62.30 0.50 . 1 . . . . . . . . 4965 1 1542 . 1 1 130 130 SER CB C 13 62.39 0.50 . 1 . . . . . . . . 4965 1 1543 . 1 1 130 130 SER N N 15 120.11 0.25 . 1 . . . . . . . . 4965 1 1544 . 1 1 131 131 ALA H H 1 8.59 0.03 . 1 . . . . . . . . 4965 1 1545 . 1 1 131 131 ALA HA H 1 4.01 0.03 . 1 . . . . . . . . 4965 1 1546 . 1 1 131 131 ALA HB1 H 1 1.30 0.03 . 1 . . . . . . . . 4965 1 1547 . 1 1 131 131 ALA HB2 H 1 1.30 0.03 . 1 . . . . . . . . 4965 1 1548 . 1 1 131 131 ALA HB3 H 1 1.30 0.03 . 1 . . . . . . . . 4965 1 1549 . 1 1 131 131 ALA C C 13 179.33 0.50 . 1 . . . . . . . . 4965 1 1550 . 1 1 131 131 ALA CA C 13 55.68 0.50 . 1 . . . . . . . . 4965 1 1551 . 1 1 131 131 ALA CB C 13 17.07 0.50 . 1 . . . . . . . . 4965 1 1552 . 1 1 131 131 ALA N N 15 124.16 0.25 . 1 . . . . . . . . 4965 1 1553 . 1 1 132 132 ARG H H 1 8.45 0.03 . 1 . . . . . . . . 4965 1 1554 . 1 1 132 132 ARG HA H 1 4.35 0.03 . 1 . . . . . . . . 4965 1 1555 . 1 1 132 132 ARG HB3 H 1 2.04 0.03 . 2 . . . . . . . . 4965 1 1556 . 1 1 132 132 ARG HB2 H 1 1.98 0.03 . 2 . . . . . . . . 4965 1 1557 . 1 1 132 132 ARG HG3 H 1 2.04 0.03 . 2 . . . . . . . . 4965 1 1558 . 1 1 132 132 ARG HD3 H 1 3.31 0.03 . 2 . . . . . . . . 4965 1 1559 . 1 1 132 132 ARG C C 13 181.49 0.50 . 1 . . . . . . . . 4965 1 1560 . 1 1 132 132 ARG CA C 13 59.88 0.50 . 1 . . . . . . . . 4965 1 1561 . 1 1 132 132 ARG CB C 13 29.64 0.50 . 1 . . . . . . . . 4965 1 1562 . 1 1 132 132 ARG CG C 13 28.31 0.50 . 1 . . . . . . . . 4965 1 1563 . 1 1 132 132 ARG CD C 13 43.33 0.50 . 1 . . . . . . . . 4965 1 1564 . 1 1 132 132 ARG N N 15 118.34 0.25 . 1 . . . . . . . . 4965 1 1565 . 1 1 133 133 SER H H 1 8.18 0.03 . 1 . . . . . . . . 4965 1 1566 . 1 1 133 133 SER HA H 1 4.35 0.03 . 1 . . . . . . . . 4965 1 1567 . 1 1 133 133 SER HB3 H 1 4.11 0.03 . 2 . . . . . . . . 4965 1 1568 . 1 1 133 133 SER HB2 H 1 4.08 0.03 . 2 . . . . . . . . 4965 1 1569 . 1 1 133 133 SER C C 13 175.12 0.50 . 1 . . . . . . . . 4965 1 1570 . 1 1 133 133 SER CA C 13 61.52 0.50 . 1 . . . . . . . . 4965 1 1571 . 1 1 133 133 SER CB C 13 63.08 0.50 . 1 . . . . . . . . 4965 1 1572 . 1 1 133 133 SER N N 15 116.28 0.25 . 1 . . . . . . . . 4965 1 1573 . 1 1 134 134 MET H H 1 7.59 0.03 . 1 . . . . . . . . 4965 1 1574 . 1 1 134 134 MET HA H 1 4.53 0.03 . 1 . . . . . . . . 4965 1 1575 . 1 1 134 134 MET HB3 H 1 2.26 0.03 . 2 . . . . . . . . 4965 1 1576 . 1 1 134 134 MET HG3 H 1 2.76 0.03 . 2 . . . . . . . . 4965 1 1577 . 1 1 134 134 MET HG2 H 1 2.60 0.03 . 2 . . . . . . . . 4965 1 1578 . 1 1 134 134 MET HE1 H 1 2.06 0.03 . 1 . . . . . . . . 4965 1 1579 . 1 1 134 134 MET HE2 H 1 2.06 0.03 . 1 . . . . . . . . 4965 1 1580 . 1 1 134 134 MET HE3 H 1 2.06 0.03 . 1 . . . . . . . . 4965 1 1581 . 1 1 134 134 MET C C 13 175.82 0.50 . 1 . . . . . . . . 4965 1 1582 . 1 1 134 134 MET CA C 13 55.85 0.50 . 1 . . . . . . . . 4965 1 1583 . 1 1 134 134 MET CB C 13 34.47 0.50 . 1 . . . . . . . . 4965 1 1584 . 1 1 134 134 MET CG C 13 31.19 0.50 . 1 . . . . . . . . 4965 1 1585 . 1 1 134 134 MET CE C 13 16.31 0.50 . 1 . . . . . . . . 4965 1 1586 . 1 1 134 134 MET N N 15 118.35 0.25 . 1 . . . . . . . . 4965 1 1587 . 1 1 135 135 GLY H H 1 7.93 0.03 . 1 . . . . . . . . 4965 1 1588 . 1 1 135 135 GLY HA3 H 1 4.22 0.03 . 2 . . . . . . . . 4965 1 1589 . 1 1 135 135 GLY HA2 H 1 3.77 0.03 . 2 . . . . . . . . 4965 1 1590 . 1 1 135 135 GLY C C 13 173.99 0.50 . 1 . . . . . . . . 4965 1 1591 . 1 1 135 135 GLY CA C 13 45.73 0.50 . 1 . . . . . . . . 4965 1 1592 . 1 1 135 135 GLY N N 15 107.18 0.25 . 1 . . . . . . . . 4965 1 1593 . 1 1 136 136 VAL H H 1 7.89 0.03 . 1 . . . . . . . . 4965 1 1594 . 1 1 136 136 VAL HA H 1 3.94 0.03 . 1 . . . . . . . . 4965 1 1595 . 1 1 136 136 VAL HB H 1 1.74 0.03 . 1 . . . . . . . . 4965 1 1596 . 1 1 136 136 VAL HG11 H 1 0.63 0.03 . 2 . . . . . . . . 4965 1 1597 . 1 1 136 136 VAL HG12 H 1 0.63 0.03 . 2 . . . . . . . . 4965 1 1598 . 1 1 136 136 VAL HG13 H 1 0.63 0.03 . 2 . . . . . . . . 4965 1 1599 . 1 1 136 136 VAL C C 13 174.61 0.50 . 1 . . . . . . . . 4965 1 1600 . 1 1 136 136 VAL CA C 13 61.51 0.50 . 1 . . . . . . . . 4965 1 1601 . 1 1 136 136 VAL CB C 13 32.40 0.50 . 1 . . . . . . . . 4965 1 1602 . 1 1 136 136 VAL CG1 C 13 22.03 0.50 . 2 . . . . . . . . 4965 1 1603 . 1 1 136 136 VAL N N 15 122.23 0.25 . 1 . . . . . . . . 4965 1 1604 . 1 1 137 137 GLU H H 1 8.15 0.03 . 1 . . . . . . . . 4965 1 1605 . 1 1 137 137 GLU HA H 1 4.27 0.03 . 1 . . . . . . . . 4965 1 1606 . 1 1 137 137 GLU HB3 H 1 1.99 0.03 . 2 . . . . . . . . 4965 1 1607 . 1 1 137 137 GLU HG3 H 1 2.34 0.03 . 2 . . . . . . . . 4965 1 1608 . 1 1 137 137 GLU HG2 H 1 2.11 0.03 . 2 . . . . . . . . 4965 1 1609 . 1 1 137 137 GLU C C 13 174.90 0.50 . 1 . . . . . . . . 4965 1 1610 . 1 1 137 137 GLU CA C 13 55.90 0.50 . 1 . . . . . . . . 4965 1 1611 . 1 1 137 137 GLU CB C 13 31.32 0.50 . 1 . . . . . . . . 4965 1 1612 . 1 1 137 137 GLU CG C 13 36.17 0.50 . 1 . . . . . . . . 4965 1 1613 . 1 1 137 137 GLU CD C 13 183.30 0.50 . 1 . . . . . . . . 4965 1 1614 . 1 1 137 137 GLU N N 15 127.08 0.25 . 1 . . . . . . . . 4965 1 1615 . 1 1 138 138 VAL H H 1 8.42 0.03 . 1 . . . . . . . . 4965 1 1616 . 1 1 138 138 VAL HA H 1 4.83 0.03 . 1 . . . . . . . . 4965 1 1617 . 1 1 138 138 VAL HB H 1 2.06 0.03 . 1 . . . . . . . . 4965 1 1618 . 1 1 138 138 VAL HG11 H 1 1.02 0.03 . 2 . . . . . . . . 4965 1 1619 . 1 1 138 138 VAL HG12 H 1 1.02 0.03 . 2 . . . . . . . . 4965 1 1620 . 1 1 138 138 VAL HG13 H 1 1.02 0.03 . 2 . . . . . . . . 4965 1 1621 . 1 1 138 138 VAL HG21 H 1 0.95 0.03 . 2 . . . . . . . . 4965 1 1622 . 1 1 138 138 VAL HG22 H 1 0.95 0.03 . 2 . . . . . . . . 4965 1 1623 . 1 1 138 138 VAL HG23 H 1 0.95 0.03 . 2 . . . . . . . . 4965 1 1624 . 1 1 138 138 VAL C C 13 176.64 0.50 . 1 . . . . . . . . 4965 1 1625 . 1 1 138 138 VAL CA C 13 61.00 0.50 . 1 . . . . . . . . 4965 1 1626 . 1 1 138 138 VAL CB C 13 32.53 0.50 . 1 . . . . . . . . 4965 1 1627 . 1 1 138 138 VAL CG1 C 13 21.75 0.50 . 2 . . . . . . . . 4965 1 1628 . 1 1 138 138 VAL CG2 C 13 21.30 0.50 . 2 . . . . . . . . 4965 1 1629 . 1 1 138 138 VAL N N 15 125.31 0.25 . 1 . . . . . . . . 4965 1 1630 . 1 1 139 139 VAL H H 1 9.19 0.03 . 1 . . . . . . . . 4965 1 1631 . 1 1 139 139 VAL HA H 1 4.48 0.03 . 1 . . . . . . . . 4965 1 1632 . 1 1 139 139 VAL HB H 1 2.03 0.03 . 1 . . . . . . . . 4965 1 1633 . 1 1 139 139 VAL HG11 H 1 0.95 0.03 . 2 . . . . . . . . 4965 1 1634 . 1 1 139 139 VAL HG12 H 1 0.95 0.03 . 2 . . . . . . . . 4965 1 1635 . 1 1 139 139 VAL HG13 H 1 0.95 0.03 . 2 . . . . . . . . 4965 1 1636 . 1 1 139 139 VAL HG21 H 1 0.92 0.03 . 2 . . . . . . . . 4965 1 1637 . 1 1 139 139 VAL HG22 H 1 0.92 0.03 . 2 . . . . . . . . 4965 1 1638 . 1 1 139 139 VAL HG23 H 1 0.92 0.03 . 2 . . . . . . . . 4965 1 1639 . 1 1 139 139 VAL C C 13 176.00 0.50 . 1 . . . . . . . . 4965 1 1640 . 1 1 139 139 VAL CA C 13 61.32 0.50 . 1 . . . . . . . . 4965 1 1641 . 1 1 139 139 VAL CB C 13 33.85 0.50 . 1 . . . . . . . . 4965 1 1642 . 1 1 139 139 VAL CG1 C 13 21.01 0.50 . 2 . . . . . . . . 4965 1 1643 . 1 1 139 139 VAL CG2 C 13 20.08 0.50 . 2 . . . . . . . . 4965 1 1644 . 1 1 139 139 VAL N N 15 127.32 0.25 . 1 . . . . . . . . 4965 1 1645 . 1 1 140 140 GLY H H 1 8.82 0.03 . 1 . . . . . . . . 4965 1 1646 . 1 1 140 140 GLY HA3 H 1 4.26 0.03 . 2 . . . . . . . . 4965 1 1647 . 1 1 140 140 GLY HA2 H 1 3.75 0.03 . 2 . . . . . . . . 4965 1 1648 . 1 1 140 140 GLY C C 13 174.47 0.50 . 1 . . . . . . . . 4965 1 1649 . 1 1 140 140 GLY CA C 13 45.48 0.50 . 1 . . . . . . . . 4965 1 1650 . 1 1 140 140 GLY N N 15 112.41 0.25 . 1 . . . . . . . . 4965 1 1651 . 1 1 141 141 ALA H H 1 8.00 0.03 . 1 . . . . . . . . 4965 1 1652 . 1 1 141 141 ALA HA H 1 3.53 0.03 . 1 . . . . . . . . 4965 1 1653 . 1 1 141 141 ALA HB1 H 1 0.95 0.03 . 1 . . . . . . . . 4965 1 1654 . 1 1 141 141 ALA HB2 H 1 0.95 0.03 . 1 . . . . . . . . 4965 1 1655 . 1 1 141 141 ALA HB3 H 1 0.95 0.03 . 1 . . . . . . . . 4965 1 1656 . 1 1 141 141 ALA C C 13 175.27 0.50 . 1 . . . . . . . . 4965 1 1657 . 1 1 141 141 ALA CA C 13 50.32 0.50 . 1 . . . . . . . . 4965 1 1658 . 1 1 141 141 ALA CB C 13 17.94 0.50 . 1 . . . . . . . . 4965 1 1659 . 1 1 141 141 ALA N N 15 122.75 0.25 . 1 . . . . . . . . 4965 1 1660 . 1 1 142 142 PRO HA H 1 4.15 0.03 . 1 . . . . . . . . 4965 1 1661 . 1 1 142 142 PRO HB3 H 1 2.03 0.03 . 2 . . . . . . . . 4965 1 1662 . 1 1 142 142 PRO HB2 H 1 1.62 0.03 . 2 . . . . . . . . 4965 1 1663 . 1 1 142 142 PRO HG3 H 1 1.87 0.03 . 2 . . . . . . . . 4965 1 1664 . 1 1 142 142 PRO HG2 H 1 1.83 0.03 . 2 . . . . . . . . 4965 1 1665 . 1 1 142 142 PRO C C 13 176.60 0.50 . 1 . . . . . . . . 4965 1 1666 . 1 1 142 142 PRO CA C 13 62.52 0.50 . 1 . . . . . . . . 4965 1 1667 . 1 1 142 142 PRO CB C 13 31.74 0.50 . 1 . . . . . . . . 4965 1 1668 . 1 1 142 142 PRO CG C 13 26.85 0.50 . 1 . . . . . . . . 4965 1 1669 . 1 1 143 143 GLU H H 1 8.33 0.03 . 1 . . . . . . . . 4965 1 1670 . 1 1 143 143 GLU HA H 1 4.16 0.03 . 1 . . . . . . . . 4965 1 1671 . 1 1 143 143 GLU HB2 H 1 1.83 0.03 . 1 . . . . . . . . 4965 1 1672 . 1 1 143 143 GLU HB3 H 1 1.93 0.03 . 1 . . . . . . . . 4965 1 1673 . 1 1 143 143 GLU HG2 H 1 2.21 0.03 . 2 . . . . . . . . 4965 1 1674 . 1 1 143 143 GLU HG3 H 1 2.14 0.03 . 2 . . . . . . . . 4965 1 1675 . 1 1 143 143 GLU C C 13 176.30 0.50 . 1 . . . . . . . . 4965 1 1676 . 1 1 143 143 GLU CA C 13 56.25 0.50 . 1 . . . . . . . . 4965 1 1677 . 1 1 143 143 GLU CB C 13 30.42 0.50 . 1 . . . . . . . . 4965 1 1678 . 1 1 143 143 GLU CG C 13 36.13 0.50 . 1 . . . . . . . . 4965 1 1679 . 1 1 143 143 GLU CD C 13 183.93 0.50 . 1 . . . . . . . . 4965 1 1680 . 1 1 143 143 GLU N N 15 121.56 0.25 . 1 . . . . . . . . 4965 1 1681 . 1 1 144 144 VAL H H 1 8.25 0.03 . 1 . . . . . . . . 4965 1 1682 . 1 1 144 144 VAL HA H 1 4.04 0.03 . 1 . . . . . . . . 4965 1 1683 . 1 1 144 144 VAL HB H 1 1.99 0.03 . 1 . . . . . . . . 4965 1 1684 . 1 1 144 144 VAL HG11 H 1 0.88 0.03 . 2 . . . . . . . . 4965 1 1685 . 1 1 144 144 VAL HG12 H 1 0.88 0.03 . 2 . . . . . . . . 4965 1 1686 . 1 1 144 144 VAL HG13 H 1 0.88 0.03 . 2 . . . . . . . . 4965 1 1687 . 1 1 144 144 VAL C C 13 175.87 0.50 . 1 . . . . . . . . 4965 1 1688 . 1 1 144 144 VAL CA C 13 62.20 0.50 . 1 . . . . . . . . 4965 1 1689 . 1 1 144 144 VAL CB C 13 32.81 0.50 . 1 . . . . . . . . 4965 1 1690 . 1 1 144 144 VAL CG1 C 13 20.76 0.50 . 2 . . . . . . . . 4965 1 1691 . 1 1 144 144 VAL N N 15 122.73 0.25 . 1 . . . . . . . . 4965 1 1692 . 1 1 145 145 LYS H H 1 8.42 0.03 . 1 . . . . . . . . 4965 1 1693 . 1 1 145 145 LYS HA H 1 4.36 0.03 . 1 . . . . . . . . 4965 1 1694 . 1 1 145 145 LYS HB3 H 1 1.77 0.03 . 2 . . . . . . . . 4965 1 1695 . 1 1 145 145 LYS HG3 H 1 1.38 0.03 . 2 . . . . . . . . 4965 1 1696 . 1 1 145 145 LYS HD3 H 1 1.67 0.03 . 2 . . . . . . . . 4965 1 1697 . 1 1 145 145 LYS HE3 H 1 2.97 0.03 . 2 . . . . . . . . 4965 1 1698 . 1 1 145 145 LYS C C 13 176.02 0.50 . 1 . . . . . . . . 4965 1 1699 . 1 1 145 145 LYS CA C 13 56.06 0.50 . 1 . . . . . . . . 4965 1 1700 . 1 1 145 145 LYS CB C 13 33.37 0.50 . 1 . . . . . . . . 4965 1 1701 . 1 1 145 145 LYS CG C 13 24.39 0.50 . 1 . . . . . . . . 4965 1 1702 . 1 1 145 145 LYS CD C 13 28.98 0.50 . 1 . . . . . . . . 4965 1 1703 . 1 1 145 145 LYS CE C 13 42.39 0.50 . 1 . . . . . . . . 4965 1 1704 . 1 1 145 145 LYS N N 15 125.70 0.25 . 1 . . . . . . . . 4965 1 1705 . 1 1 146 146 ASP H H 1 8.36 0.03 . 1 . . . . . . . . 4965 1 1706 . 1 1 146 146 ASP HA H 1 4.56 0.03 . 1 . . . . . . . . 4965 1 1707 . 1 1 146 146 ASP HB2 H 1 2.69 0.03 . 1 . . . . . . . . 4965 1 1708 . 1 1 146 146 ASP HB3 H 1 2.59 0.03 . 1 . . . . . . . . 4965 1 1709 . 1 1 146 146 ASP C C 13 174.78 0.50 . 1 . . . . . . . . 4965 1 1710 . 1 1 146 146 ASP CA C 13 54.55 0.50 . 1 . . . . . . . . 4965 1 1711 . 1 1 146 146 ASP CB C 13 41.11 0.50 . 1 . . . . . . . . 4965 1 1712 . 1 1 146 146 ASP CG C 13 180.37 0.50 . 1 . . . . . . . . 4965 1 1713 . 1 1 146 146 ASP N N 15 122.04 0.25 . 1 . . . . . . . . 4965 1 1714 . 1 1 147 147 ALA H H 1 7.81 0.03 . 1 . . . . . . . . 4965 1 1715 . 1 1 147 147 ALA HA H 1 4.10 0.03 . 1 . . . . . . . . 4965 1 1716 . 1 1 147 147 ALA HB1 H 1 1.32 0.03 . 1 . . . . . . . . 4965 1 1717 . 1 1 147 147 ALA HB2 H 1 1.32 0.03 . 1 . . . . . . . . 4965 1 1718 . 1 1 147 147 ALA HB3 H 1 1.32 0.03 . 1 . . . . . . . . 4965 1 1719 . 1 1 147 147 ALA C C 13 182.37 0.50 . 1 . . . . . . . . 4965 1 1720 . 1 1 147 147 ALA CA C 13 53.86 0.50 . 1 . . . . . . . . 4965 1 1721 . 1 1 147 147 ALA CB C 13 20.38 0.50 . 1 . . . . . . . . 4965 1 1722 . 1 1 147 147 ALA N N 15 128.78 0.25 . 1 . . . . . . . . 4965 1 stop_ save_