data_7314 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7314 _Entry.Title ; The backbone chemical shifts of ribosomal protein L11 in the complex with rRNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-10-13 _Entry.Accession_date 2006-10-13 _Entry.Last_release_date 2007-05-04 _Entry.Original_release_date 2007-05-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _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 Donghan Lee . . . 7314 2 Yun-Xing Wang . . . 7314 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7314 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 350 7314 '15N chemical shifts' 136 7314 '1H chemical shifts' 406 7314 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 . . 2007-05-04 2006-10-13 original author . 7314 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2E34 'BMRB Entry Tracking System' 7314 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7314 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17292917 _Citation.Full_citation . _Citation.Title ; The structure of free L11 and functional dyanamics of L11 in free, L11-rRNA(58nt) binary and L11-rRNA(58nt)-thiostrepton ternary complexes ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 367 _Citation.Journal_issue 4 _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 1007 _Citation.Page_last 1022 _Citation.Year 2007 _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 D. Lee . . . 7314 1 2 JD. Walsh . . . 7314 1 3 P. Yu . . . 7314 1 4 MA. Markus . . . 7314 1 5 T. Choli-Papadopoulou . . . 7314 1 6 CD. Schwieters . . . 7314 1 7 S. Krueger . . . 7314 1 8 DE. Draper . . . 7314 1 9 YX. Wang . . . 7314 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7314 _Assembly.ID 1 _Assembly.Name 'L11 in complex with rRNA' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 L11 1 $unlabelled . . yes native no no . . . 7314 1 2 RNA 2 $RNA . . no native no no . . . 7314 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_unlabelled _Entity.Sf_category entity _Entity.Sf_framecode unlabelled _Entity.Entry_ID 7314 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 147 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4965 . L11 . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 7314 1 2 no BMRB 7315 . L11 . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 7314 1 3 no PDB 2E34 . "L11 Structure With Rdc And Rg Refinement" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 7314 1 4 no PDB 2E35 . "The Minimized Average Structure Of L11 With Rg Refinement" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 7314 1 5 no PDB 2E36 . "L11 With Sans Refinement" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 7314 1 6 no PDB 2H8W . "Solution Structure Of Ribosomal Protein L11" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 1 12 no PDB 2KLM . "Solution Structure Of L11 With Saxs And Rdc" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 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 . . . . 7314 1 42 no DBJ BAD70070 . "50S ribosomal protein L11 [Thermus thermophilus HB8]" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 7314 1 43 no EMBL CAA57138 . "ribosomal protein L11 [Thermus thermophilus]" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 7314 1 44 no GB AAS82080 . "LSU ribosomal protein L11P [Thermus thermophilus HB27]" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 7314 1 45 no GB ADW20820 . "50S ribosomal protein L11 [Thermus scotoductus SA-01]" . . . . . 100.00 147 97.96 100.00 8.98e-99 . . . . 7314 1 46 no GB AEG32574 . "ribosomal protein L11 [Thermus thermophilus SG0.5JP17-16]" . . . . . 100.00 147 99.32 100.00 4.27e-99 . . . . 7314 1 47 no GB AEV17153 . "50S ribosomal protein L11 [Thermus sp. CCB_US3_UF1]" . . . . . 100.00 147 97.28 100.00 7.98e-98 . . . . 7314 1 48 no GB AFH38065 . "50S ribosomal protein L11 [Thermus thermophilus JL-18]" . . . . . 100.00 147 97.96 99.32 3.40e-98 . . . . 7314 1 49 no PIR S66576 . "ribosomal protein L11 - Thermus aquaticus" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 7314 1 50 no PRF 2004301A . "ribosomal protein L11" . . . . . 100.00 147 97.28 97.28 1.24e-96 . . . . 7314 1 51 no REF WP_008630514 . "MULTISPECIES: 50S ribosomal protein L11 [Thermus]" . . . . . 100.00 147 99.32 100.00 4.27e-99 . . . . 7314 1 52 no REF WP_011174097 . "50S ribosomal protein L11 [Thermus thermophilus]" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 7314 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 . . . . 7314 1 54 no REF WP_014628913 . "50S ribosomal protein L11 [Thermus thermophilus]" . . . . . 100.00 147 97.96 99.32 3.40e-98 . . . . 7314 1 55 no REF WP_015716108 . "MULTISPECIES: 50S ribosomal protein L11 [Thermus]" . . . . . 100.00 147 97.96 100.00 8.98e-99 . . . . 7314 1 56 no SP P36238 . "RecName: Full=50S ribosomal protein L11 [Thermus thermophilus]" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 7314 1 57 no SP P62442 . "RecName: Full=50S ribosomal protein L11 [Thermus thermophilus HB27]" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 7314 1 58 no SP Q5SLP6 . "RecName: Full=50S ribosomal protein L11 [Thermus thermophilus HB8]" . . . . . 100.00 147 100.00 100.00 1.03e-99 . . . . 7314 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 . 7314 1 2 . LYS . 7314 1 3 . LYS . 7314 1 4 . VAL . 7314 1 5 . VAL . 7314 1 6 . ALA . 7314 1 7 . VAL . 7314 1 8 . VAL . 7314 1 9 . LYS . 7314 1 10 . LEU . 7314 1 11 . GLN . 7314 1 12 . LEU . 7314 1 13 . PRO . 7314 1 14 . ALA . 7314 1 15 . GLY . 7314 1 16 . LYS . 7314 1 17 . ALA . 7314 1 18 . THR . 7314 1 19 . PRO . 7314 1 20 . ALA . 7314 1 21 . PRO . 7314 1 22 . PRO . 7314 1 23 . VAL . 7314 1 24 . GLY . 7314 1 25 . PRO . 7314 1 26 . ALA . 7314 1 27 . LEU . 7314 1 28 . GLY . 7314 1 29 . GLN . 7314 1 30 . HIS . 7314 1 31 . GLY . 7314 1 32 . ALA . 7314 1 33 . ASN . 7314 1 34 . ILE . 7314 1 35 . MET . 7314 1 36 . GLU . 7314 1 37 . PHE . 7314 1 38 . VAL . 7314 1 39 . LYS . 7314 1 40 . ALA . 7314 1 41 . PHE . 7314 1 42 . ASN . 7314 1 43 . ALA . 7314 1 44 . ALA . 7314 1 45 . THR . 7314 1 46 . ALA . 7314 1 47 . ASN . 7314 1 48 . MET . 7314 1 49 . GLY . 7314 1 50 . ASP . 7314 1 51 . ALA . 7314 1 52 . ILE . 7314 1 53 . VAL . 7314 1 54 . PRO . 7314 1 55 . VAL . 7314 1 56 . GLU . 7314 1 57 . ILE . 7314 1 58 . THR . 7314 1 59 . ILE . 7314 1 60 . TYR . 7314 1 61 . ALA . 7314 1 62 . ASP . 7314 1 63 . ARG . 7314 1 64 . SER . 7314 1 65 . PHE . 7314 1 66 . THR . 7314 1 67 . PHE . 7314 1 68 . VAL . 7314 1 69 . THR . 7314 1 70 . LYS . 7314 1 71 . THR . 7314 1 72 . PRO . 7314 1 73 . PRO . 7314 1 74 . ALA . 7314 1 75 . SER . 7314 1 76 . TYR . 7314 1 77 . LEU . 7314 1 78 . ILE . 7314 1 79 . ARG . 7314 1 80 . LYS . 7314 1 81 . ALA . 7314 1 82 . ALA . 7314 1 83 . GLY . 7314 1 84 . LEU . 7314 1 85 . GLU . 7314 1 86 . LYS . 7314 1 87 . GLY . 7314 1 88 . ALA . 7314 1 89 . HIS . 7314 1 90 . LYS . 7314 1 91 . PRO . 7314 1 92 . GLY . 7314 1 93 . ARG . 7314 1 94 . GLU . 7314 1 95 . LYS . 7314 1 96 . VAL . 7314 1 97 . GLY . 7314 1 98 . ARG . 7314 1 99 . ILE . 7314 1 100 . THR . 7314 1 101 . TRP . 7314 1 102 . GLU . 7314 1 103 . GLN . 7314 1 104 . VAL . 7314 1 105 . LEU . 7314 1 106 . GLU . 7314 1 107 . ILE . 7314 1 108 . ALA . 7314 1 109 . LYS . 7314 1 110 . GLN . 7314 1 111 . LYS . 7314 1 112 . MET . 7314 1 113 . PRO . 7314 1 114 . ASP . 7314 1 115 . LEU . 7314 1 116 . ASN . 7314 1 117 . THR . 7314 1 118 . THR . 7314 1 119 . ASP . 7314 1 120 . LEU . 7314 1 121 . GLU . 7314 1 122 . ALA . 7314 1 123 . ALA . 7314 1 124 . ALA . 7314 1 125 . ARG . 7314 1 126 . MET . 7314 1 127 . ILE . 7314 1 128 . ALA . 7314 1 129 . GLY . 7314 1 130 . SER . 7314 1 131 . ALA . 7314 1 132 . ARG . 7314 1 133 . SER . 7314 1 134 . MET . 7314 1 135 . GLY . 7314 1 136 . VAL . 7314 1 137 . GLU . 7314 1 138 . VAL . 7314 1 139 . VAL . 7314 1 140 . GLY . 7314 1 141 . ALA . 7314 1 142 . PRO . 7314 1 143 . GLU . 7314 1 144 . VAL . 7314 1 145 . LYS . 7314 1 146 . ASP . 7314 1 147 . ALA . 7314 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 7314 1 . LYS 2 2 7314 1 . LYS 3 3 7314 1 . VAL 4 4 7314 1 . VAL 5 5 7314 1 . ALA 6 6 7314 1 . VAL 7 7 7314 1 . VAL 8 8 7314 1 . LYS 9 9 7314 1 . LEU 10 10 7314 1 . GLN 11 11 7314 1 . LEU 12 12 7314 1 . PRO 13 13 7314 1 . ALA 14 14 7314 1 . GLY 15 15 7314 1 . LYS 16 16 7314 1 . ALA 17 17 7314 1 . THR 18 18 7314 1 . PRO 19 19 7314 1 . ALA 20 20 7314 1 . PRO 21 21 7314 1 . PRO 22 22 7314 1 . VAL 23 23 7314 1 . GLY 24 24 7314 1 . PRO 25 25 7314 1 . ALA 26 26 7314 1 . LEU 27 27 7314 1 . GLY 28 28 7314 1 . GLN 29 29 7314 1 . HIS 30 30 7314 1 . GLY 31 31 7314 1 . ALA 32 32 7314 1 . ASN 33 33 7314 1 . ILE 34 34 7314 1 . MET 35 35 7314 1 . GLU 36 36 7314 1 . PHE 37 37 7314 1 . VAL 38 38 7314 1 . LYS 39 39 7314 1 . ALA 40 40 7314 1 . PHE 41 41 7314 1 . ASN 42 42 7314 1 . ALA 43 43 7314 1 . ALA 44 44 7314 1 . THR 45 45 7314 1 . ALA 46 46 7314 1 . ASN 47 47 7314 1 . MET 48 48 7314 1 . GLY 49 49 7314 1 . ASP 50 50 7314 1 . ALA 51 51 7314 1 . ILE 52 52 7314 1 . VAL 53 53 7314 1 . PRO 54 54 7314 1 . VAL 55 55 7314 1 . GLU 56 56 7314 1 . ILE 57 57 7314 1 . THR 58 58 7314 1 . ILE 59 59 7314 1 . TYR 60 60 7314 1 . ALA 61 61 7314 1 . ASP 62 62 7314 1 . ARG 63 63 7314 1 . SER 64 64 7314 1 . PHE 65 65 7314 1 . THR 66 66 7314 1 . PHE 67 67 7314 1 . VAL 68 68 7314 1 . THR 69 69 7314 1 . LYS 70 70 7314 1 . THR 71 71 7314 1 . PRO 72 72 7314 1 . PRO 73 73 7314 1 . ALA 74 74 7314 1 . SER 75 75 7314 1 . TYR 76 76 7314 1 . LEU 77 77 7314 1 . ILE 78 78 7314 1 . ARG 79 79 7314 1 . LYS 80 80 7314 1 . ALA 81 81 7314 1 . ALA 82 82 7314 1 . GLY 83 83 7314 1 . LEU 84 84 7314 1 . GLU 85 85 7314 1 . LYS 86 86 7314 1 . GLY 87 87 7314 1 . ALA 88 88 7314 1 . HIS 89 89 7314 1 . LYS 90 90 7314 1 . PRO 91 91 7314 1 . GLY 92 92 7314 1 . ARG 93 93 7314 1 . GLU 94 94 7314 1 . LYS 95 95 7314 1 . VAL 96 96 7314 1 . GLY 97 97 7314 1 . ARG 98 98 7314 1 . ILE 99 99 7314 1 . THR 100 100 7314 1 . TRP 101 101 7314 1 . GLU 102 102 7314 1 . GLN 103 103 7314 1 . VAL 104 104 7314 1 . LEU 105 105 7314 1 . GLU 106 106 7314 1 . ILE 107 107 7314 1 . ALA 108 108 7314 1 . LYS 109 109 7314 1 . GLN 110 110 7314 1 . LYS 111 111 7314 1 . MET 112 112 7314 1 . PRO 113 113 7314 1 . ASP 114 114 7314 1 . LEU 115 115 7314 1 . ASN 116 116 7314 1 . THR 117 117 7314 1 . THR 118 118 7314 1 . ASP 119 119 7314 1 . LEU 120 120 7314 1 . GLU 121 121 7314 1 . ALA 122 122 7314 1 . ALA 123 123 7314 1 . ALA 124 124 7314 1 . ARG 125 125 7314 1 . MET 126 126 7314 1 . ILE 127 127 7314 1 . ALA 128 128 7314 1 . GLY 129 129 7314 1 . SER 130 130 7314 1 . ALA 131 131 7314 1 . ARG 132 132 7314 1 . SER 133 133 7314 1 . MET 134 134 7314 1 . GLY 135 135 7314 1 . VAL 136 136 7314 1 . GLU 137 137 7314 1 . VAL 138 138 7314 1 . VAL 139 139 7314 1 . GLY 140 140 7314 1 . ALA 141 141 7314 1 . PRO 142 142 7314 1 . GLU 143 143 7314 1 . VAL 144 144 7314 1 . LYS 145 145 7314 1 . ASP 146 146 7314 1 . ALA 147 147 7314 1 stop_ save_ save_RNA _Entity.Sf_category entity _Entity.Sf_framecode RNA _Entity.Entry_ID 7314 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RNA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details RNA _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GCCAGGAUGUUGGCUUAGAA GCAGCCAUCAUUUAAAGAAA GCGUAAUAGCUCACUGGU ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 58 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 . 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 . G . 7314 2 2 . C . 7314 2 3 . C . 7314 2 4 . A . 7314 2 5 . G . 7314 2 6 . G . 7314 2 7 . A . 7314 2 8 . U . 7314 2 9 . G . 7314 2 10 . U . 7314 2 11 . U . 7314 2 12 . G . 7314 2 13 . G . 7314 2 14 . C . 7314 2 15 . U . 7314 2 16 . U . 7314 2 17 . A . 7314 2 18 . G . 7314 2 19 . A . 7314 2 20 . A . 7314 2 21 . G . 7314 2 22 . C . 7314 2 23 . A . 7314 2 24 . G . 7314 2 25 . C . 7314 2 26 . C . 7314 2 27 . A . 7314 2 28 . U . 7314 2 29 . C . 7314 2 30 . A . 7314 2 31 . U . 7314 2 32 . U . 7314 2 33 . U . 7314 2 34 . A . 7314 2 35 . A . 7314 2 36 . A . 7314 2 37 . G . 7314 2 38 . A . 7314 2 39 . A . 7314 2 40 . A . 7314 2 41 . G . 7314 2 42 . C . 7314 2 43 . G . 7314 2 44 . U . 7314 2 45 . A . 7314 2 46 . A . 7314 2 47 . U . 7314 2 48 . A . 7314 2 49 . G . 7314 2 50 . C . 7314 2 51 . U . 7314 2 52 . C . 7314 2 53 . A . 7314 2 54 . C . 7314 2 55 . U . 7314 2 56 . G . 7314 2 57 . G . 7314 2 58 . U . 7314 2 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 . G 1 1 7314 2 . C 2 2 7314 2 . C 3 3 7314 2 . A 4 4 7314 2 . G 5 5 7314 2 . G 6 6 7314 2 . A 7 7 7314 2 . U 8 8 7314 2 . G 9 9 7314 2 . U 10 10 7314 2 . U 11 11 7314 2 . G 12 12 7314 2 . G 13 13 7314 2 . C 14 14 7314 2 . U 15 15 7314 2 . U 16 16 7314 2 . A 17 17 7314 2 . G 18 18 7314 2 . A 19 19 7314 2 . A 20 20 7314 2 . G 21 21 7314 2 . C 22 22 7314 2 . A 23 23 7314 2 . G 24 24 7314 2 . C 25 25 7314 2 . C 26 26 7314 2 . A 27 27 7314 2 . U 28 28 7314 2 . C 29 29 7314 2 . A 30 30 7314 2 . U 31 31 7314 2 . U 32 32 7314 2 . U 33 33 7314 2 . A 34 34 7314 2 . A 35 35 7314 2 . A 36 36 7314 2 . G 37 37 7314 2 . A 38 38 7314 2 . A 39 39 7314 2 . A 40 40 7314 2 . G 41 41 7314 2 . C 42 42 7314 2 . G 43 43 7314 2 . U 44 44 7314 2 . A 45 45 7314 2 . A 46 46 7314 2 . U 47 47 7314 2 . A 48 48 7314 2 . G 49 49 7314 2 . C 50 50 7314 2 . U 51 51 7314 2 . C 52 52 7314 2 . A 53 53 7314 2 . C 54 54 7314 2 . U 55 55 7314 2 . G 56 56 7314 2 . G 57 57 7314 2 . U 58 58 7314 2 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 7314 _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 $unlabelled . 274 . no . 'Thermus thermophilus' . . Bacteria . Thermus thermophilus . . . . . . . . . . . . . . . . . . . . . 7314 1 2 2 $RNA . 274 . no . 'Thermus thermophilus' . . Bacteria . Thermus thermophilus . . . . . . . . . . . . . . . . . . . . . 7314 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 7314 _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 $unlabelled . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7314 1 2 2 $RNA . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7314 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7314 _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 L11 '[U-13C; U-15N; U-2H]' . . 1 $unlabelled . . 0.7 . . mM . . . . 7314 1 2 RNA . . . 2 $RNA . . . . . mM . . . . 7314 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7314 _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 0.1 pH 7314 1 temperature 308 . K 7314 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer1 _NMR_spectrometer.Entry_ID 7314 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_800MHz_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer2 _NMR_spectrometer.Entry_ID 7314 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7314 _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 '1D [15N,1H]-TRACT' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7314 1 2 '3D TROSY-HNCA' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7314 1 3 '3D TROSY-HNCACB' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7314 1 4 '3D aromatic TROSY-hCCH COSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7314 1 5 '3D 15N-resolved NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7314 1 6 '3D 13C-resolved NOESY (aromatic carbon)' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7314 1 stop_ save_ save_1D_15N-1H-TRACT _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1D_15N-1H-TRACT _NMR_spec_expt.Entry_ID 7314 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1D [15N,1H]-TRACT' _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_3D_TROSY-HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_TROSY-HNCA _NMR_spec_expt.Entry_ID 7314 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D TROSY-HNCA' _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_3D_TROSY-HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_TROSY-HNCACB _NMR_spec_expt.Entry_ID 7314 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D TROSY-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_3D_aromatic_TROSY-hCCH_COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_aromatic_TROSY-hCCH_COSY _NMR_spec_expt.Entry_ID 7314 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D aromatic TROSY-hCCH COSY' _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_3D_15N-resolved_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-resolved_NOESY _NMR_spec_expt.Entry_ID 7314 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D 15N-resolved 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_3D_13C-resolved_NOESY_(aromatic_carbon) _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-resolved_NOESY_(aromatic_carbon) _NMR_spec_expt.Entry_ID 7314 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 13C-resolved NOESY (aromatic carbon)' _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_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7314 _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 1H 1 L11 protons . . . . ppm 0.01 internal indirect . . . . . . . . . . 7314 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7314 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 7314 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.353 0.020 . 1 . . . . 1 MET H . 7314 1 2 . 1 1 1 1 MET CA C 13 54.589 0.400 . 1 . . . . 1 MET CA . 7314 1 3 . 1 1 1 1 MET CB C 13 32.567 0.400 . 1 . . . . 1 MET CB . 7314 1 4 . 1 1 1 1 MET N N 15 121.854 0.400 . 1 . . . . 1 MET N . 7314 1 5 . 1 1 2 2 LYS H H 1 8.010 0.020 . 1 . . . . 2 LYS H . 7314 1 6 . 1 1 2 2 LYS CA C 13 55.768 0.400 . 1 . . . . 2 LYS CA . 7314 1 7 . 1 1 2 2 LYS CB C 13 32.931 0.400 . 1 . . . . 2 LYS CB . 7314 1 8 . 1 1 2 2 LYS N N 15 120.821 0.400 . 1 . . . . 2 LYS N . 7314 1 9 . 1 1 3 3 LYS H H 1 8.321 0.020 . 1 . . . . 3 LYS H . 7314 1 10 . 1 1 3 3 LYS CA C 13 56.096 0.400 . 1 . . . . 3 LYS CA . 7314 1 11 . 1 1 3 3 LYS N N 15 121.884 0.400 . 1 . . . . 3 LYS N . 7314 1 12 . 1 1 4 4 VAL H H 1 8.462 0.020 . 1 . . . . 4 VAL H . 7314 1 13 . 1 1 4 4 VAL HG11 H 1 0.921 0.020 . 2 . . . . 4 VAL HG1 . 7314 1 14 . 1 1 4 4 VAL HG12 H 1 0.921 0.020 . 2 . . . . 4 VAL HG1 . 7314 1 15 . 1 1 4 4 VAL HG13 H 1 0.921 0.020 . 2 . . . . 4 VAL HG1 . 7314 1 16 . 1 1 4 4 VAL CA C 13 63.211 0.400 . 1 . . . . 4 VAL CA . 7314 1 17 . 1 1 4 4 VAL CB C 13 32.840 0.400 . 1 . . . . 4 VAL CB . 7314 1 18 . 1 1 4 4 VAL CG1 C 13 22.264 0.400 . 1 . . . . 4 VAL CG1 . 7314 1 19 . 1 1 4 4 VAL N N 15 126.381 0.400 . 1 . . . . 4 VAL N . 7314 1 20 . 1 1 5 5 VAL H H 1 8.859 0.020 . 1 . . . . 5 VAL H . 7314 1 21 . 1 1 5 5 VAL HG11 H 1 0.734 0.020 . 2 . . . . 5 VAL HG1 . 7314 1 22 . 1 1 5 5 VAL HG12 H 1 0.734 0.020 . 2 . . . . 5 VAL HG1 . 7314 1 23 . 1 1 5 5 VAL HG13 H 1 0.734 0.020 . 2 . . . . 5 VAL HG1 . 7314 1 24 . 1 1 5 5 VAL CA C 13 61.813 0.400 . 1 . . . . 5 VAL CA . 7314 1 25 . 1 1 5 5 VAL CB C 13 32.795 0.400 . 1 . . . . 5 VAL CB . 7314 1 26 . 1 1 5 5 VAL CG1 C 13 19.667 0.400 . 1 . . . . 5 VAL CG1 . 7314 1 27 . 1 1 5 5 VAL N N 15 121.075 0.400 . 1 . . . . 5 VAL N . 7314 1 28 . 1 1 6 6 ALA H H 1 7.495 0.020 . 1 . . . . 6 ALA H . 7314 1 29 . 1 1 6 6 ALA HB1 H 1 0.706 0.020 . 1 . . . . 6 ALA HB . 7314 1 30 . 1 1 6 6 ALA HB2 H 1 0.706 0.020 . 1 . . . . 6 ALA HB . 7314 1 31 . 1 1 6 6 ALA HB3 H 1 0.706 0.020 . 1 . . . . 6 ALA HB . 7314 1 32 . 1 1 6 6 ALA CA C 13 52.275 0.400 . 1 . . . . 6 ALA CA . 7314 1 33 . 1 1 6 6 ALA CB C 13 21.598 0.400 . 1 . . . . 6 ALA CB . 7314 1 34 . 1 1 6 6 ALA N N 15 121.186 0.400 . 1 . . . . 6 ALA N . 7314 1 35 . 1 1 7 7 VAL H H 1 7.412 0.020 . 1 . . . . 7 VAL H . 7314 1 36 . 1 1 7 7 VAL HG11 H 1 0.859 0.020 . 2 . . . . 7 VAL HG1 . 7314 1 37 . 1 1 7 7 VAL HG12 H 1 0.859 0.020 . 2 . . . . 7 VAL HG1 . 7314 1 38 . 1 1 7 7 VAL HG13 H 1 0.859 0.020 . 2 . . . . 7 VAL HG1 . 7314 1 39 . 1 1 7 7 VAL CA C 13 61.742 0.400 . 1 . . . . 7 VAL CA . 7314 1 40 . 1 1 7 7 VAL CB C 13 33.341 0.400 . 1 . . . . 7 VAL CB . 7314 1 41 . 1 1 7 7 VAL CG1 C 13 20.869 0.400 . 1 . . . . 7 VAL CG1 . 7314 1 42 . 1 1 7 7 VAL N N 15 118.935 0.400 . 1 . . . . 7 VAL N . 7314 1 43 . 1 1 8 8 VAL H H 1 9.324 0.020 . 1 . . . . 8 VAL H . 7314 1 44 . 1 1 8 8 VAL HG11 H 1 0.811 0.020 . 2 . . . . 8 VAL HG1 . 7314 1 45 . 1 1 8 8 VAL HG12 H 1 0.811 0.020 . 2 . . . . 8 VAL HG1 . 7314 1 46 . 1 1 8 8 VAL HG13 H 1 0.811 0.020 . 2 . . . . 8 VAL HG1 . 7314 1 47 . 1 1 8 8 VAL CA C 13 61.128 0.400 . 1 . . . . 8 VAL CA . 7314 1 48 . 1 1 8 8 VAL CB C 13 34.797 0.400 . 1 . . . . 8 VAL CB . 7314 1 49 . 1 1 8 8 VAL CG1 C 13 20.896 0.400 . 1 . . . . 8 VAL CG1 . 7314 1 50 . 1 1 8 8 VAL N N 15 128.555 0.400 . 1 . . . . 8 VAL N . 7314 1 51 . 1 1 9 9 LYS H H 1 8.602 0.020 . 1 . . . . 9 LYS H . 7314 1 52 . 1 1 9 9 LYS CA C 13 55.646 0.400 . 1 . . . . 9 LYS CA . 7314 1 53 . 1 1 9 9 LYS CB C 13 33.841 0.400 . 1 . . . . 9 LYS CB . 7314 1 54 . 1 1 9 9 LYS N N 15 127.975 0.400 . 1 . . . . 9 LYS N . 7314 1 55 . 1 1 10 10 LEU H H 1 8.397 0.020 . 1 . . . . 10 LEU H . 7314 1 56 . 1 1 10 10 LEU HD11 H 1 0.477 0.020 . 2 . . . . 10 LEU HD1 . 7314 1 57 . 1 1 10 10 LEU HD12 H 1 0.477 0.020 . 2 . . . . 10 LEU HD1 . 7314 1 58 . 1 1 10 10 LEU HD13 H 1 0.477 0.020 . 2 . . . . 10 LEU HD1 . 7314 1 59 . 1 1 10 10 LEU HD21 H 1 0.864 0.020 . 2 . . . . 10 LEU HD2 . 7314 1 60 . 1 1 10 10 LEU HD22 H 1 0.864 0.020 . 2 . . . . 10 LEU HD2 . 7314 1 61 . 1 1 10 10 LEU HD23 H 1 0.864 0.020 . 2 . . . . 10 LEU HD2 . 7314 1 62 . 1 1 10 10 LEU CA C 13 52.932 0.400 . 1 . . . . 10 LEU CA . 7314 1 63 . 1 1 10 10 LEU CB C 13 45.716 0.400 . 1 . . . . 10 LEU CB . 7314 1 64 . 1 1 10 10 LEU CD1 C 13 27.253 0.400 . 1 . . . . 10 LEU CD1 . 7314 1 65 . 1 1 10 10 LEU CD2 C 13 23.417 0.400 . 1 . . . . 10 LEU CD2 . 7314 1 66 . 1 1 10 10 LEU N N 15 120.944 0.400 . 1 . . . . 10 LEU N . 7314 1 67 . 1 1 11 11 GLN H H 1 8.717 0.020 . 1 . . . . 11 GLN H . 7314 1 68 . 1 1 11 11 GLN HG2 H 1 1.791 0.020 . 1 . . . . 11 GLN HG2 . 7314 1 69 . 1 1 11 11 GLN HG3 H 1 1.791 0.020 . 1 . . . . 11 GLN HG3 . 7314 1 70 . 1 1 11 11 GLN CA C 13 55.509 0.400 . 1 . . . . 11 GLN CA . 7314 1 71 . 1 1 11 11 GLN CB C 13 28.564 0.400 . 1 . . . . 11 GLN CB . 7314 1 72 . 1 1 11 11 GLN CG C 13 33.026 0.400 . 1 . . . . 11 GLN CG . 7314 1 73 . 1 1 11 11 GLN N N 15 120.130 0.400 . 1 . . . . 11 GLN N . 7314 1 74 . 1 1 12 12 LEU H H 1 7.949 0.020 . 1 . . . . 12 LEU H . 7314 1 75 . 1 1 12 12 LEU HD11 H 1 0.011 0.020 . 2 . . . . 12 LEU HD1 . 7314 1 76 . 1 1 12 12 LEU HD12 H 1 0.011 0.020 . 2 . . . . 12 LEU HD1 . 7314 1 77 . 1 1 12 12 LEU HD13 H 1 0.011 0.020 . 2 . . . . 12 LEU HD1 . 7314 1 78 . 1 1 12 12 LEU CA C 13 51.136 0.400 . 1 . . . . 12 LEU CA . 7314 1 79 . 1 1 12 12 LEU CB C 13 44.351 0.400 . 1 . . . . 12 LEU CB . 7314 1 80 . 1 1 12 12 LEU CD1 C 13 24.373 0.400 . 1 . . . . 12 LEU CD1 . 7314 1 81 . 1 1 12 12 LEU N N 15 122.548 0.400 . 1 . . . . 12 LEU N . 7314 1 82 . 1 1 13 13 PRO CA C 13 62.033 0.400 . 1 . . . . 13 PRO CA . 7314 1 83 . 1 1 14 14 ALA H H 1 8.490 0.020 . 1 . . . . 14 ALA H . 7314 1 84 . 1 1 14 14 ALA HB1 H 1 1.398 0.020 . 1 . . . . 14 ALA HB . 7314 1 85 . 1 1 14 14 ALA HB2 H 1 1.398 0.020 . 1 . . . . 14 ALA HB . 7314 1 86 . 1 1 14 14 ALA HB3 H 1 1.398 0.020 . 1 . . . . 14 ALA HB . 7314 1 87 . 1 1 14 14 ALA CA C 13 53.590 0.400 . 1 . . . . 14 ALA CA . 7314 1 88 . 1 1 14 14 ALA CB C 13 18.610 0.400 . 1 . . . . 14 ALA CB . 7314 1 89 . 1 1 14 14 ALA N N 15 125.995 0.400 . 1 . . . . 14 ALA N . 7314 1 90 . 1 1 15 15 GLY H H 1 8.512 0.020 . 1 . . . . 15 GLY H . 7314 1 91 . 1 1 15 15 GLY HA2 H 1 3.031 0.020 . 1 . . . . 15 GLY HA2 . 7314 1 92 . 1 1 15 15 GLY HA3 H 1 3.031 0.020 . 1 . . . . 15 GLY HA3 . 7314 1 93 . 1 1 15 15 GLY CA C 13 45.970 0.400 . 1 . . . . 15 GLY CA . 7314 1 94 . 1 1 15 15 GLY N N 15 108.435 0.400 . 1 . . . . 15 GLY N . 7314 1 95 . 1 1 16 16 LYS H H 1 7.571 0.020 . 1 . . . . 16 LYS H . 7314 1 96 . 1 1 16 16 LYS CA C 13 55.247 0.400 . 1 . . . . 16 LYS CA . 7314 1 97 . 1 1 16 16 LYS CB C 13 33.159 0.400 . 1 . . . . 16 LYS CB . 7314 1 98 . 1 1 16 16 LYS N N 15 119.799 0.400 . 1 . . . . 16 LYS N . 7314 1 99 . 1 1 17 17 ALA H H 1 9.658 0.020 . 1 . . . . 17 ALA H . 7314 1 100 . 1 1 17 17 ALA HB1 H 1 1.268 0.020 . 1 . . . . 17 ALA HB . 7314 1 101 . 1 1 17 17 ALA HB2 H 1 1.268 0.020 . 1 . . . . 17 ALA HB . 7314 1 102 . 1 1 17 17 ALA HB3 H 1 1.268 0.020 . 1 . . . . 17 ALA HB . 7314 1 103 . 1 1 17 17 ALA CA C 13 52.987 0.400 . 1 . . . . 17 ALA CA . 7314 1 104 . 1 1 17 17 ALA CB C 13 19.089 0.400 . 1 . . . . 17 ALA CB . 7314 1 105 . 1 1 17 17 ALA N N 15 124.744 0.400 . 1 . . . . 17 ALA N . 7314 1 106 . 1 1 18 18 THR H H 1 7.849 0.020 . 1 . . . . 18 THR H . 7314 1 107 . 1 1 18 18 THR CA C 13 59.429 0.400 . 1 . . . . 18 THR CA . 7314 1 108 . 1 1 18 18 THR CB C 13 70.239 0.400 . 1 . . . . 18 THR CB . 7314 1 109 . 1 1 18 18 THR N N 15 111.495 0.400 . 1 . . . . 18 THR N . 7314 1 110 . 1 1 19 19 PRO CA C 13 63.277 0.400 . 1 . . . . 19 PRO CA . 7314 1 111 . 1 1 20 20 ALA H H 1 7.309 0.020 . 1 . . . . 20 ALA H . 7314 1 112 . 1 1 20 20 ALA HB1 H 1 1.253 0.020 . 1 . . . . 20 ALA HB . 7314 1 113 . 1 1 20 20 ALA HB2 H 1 1.253 0.020 . 1 . . . . 20 ALA HB . 7314 1 114 . 1 1 20 20 ALA HB3 H 1 1.253 0.020 . 1 . . . . 20 ALA HB . 7314 1 115 . 1 1 20 20 ALA CA C 13 51.191 0.400 . 1 . . . . 20 ALA CA . 7314 1 116 . 1 1 20 20 ALA CB C 13 16.463 0.400 . 1 . . . . 20 ALA CB . 7314 1 117 . 1 1 20 20 ALA N N 15 120.966 0.400 . 1 . . . . 20 ALA N . 7314 1 118 . 1 1 22 22 PRO CA C 13 63.770 0.400 . 1 . . . . 22 PRO CA . 7314 1 119 . 1 1 23 23 VAL H H 1 7.941 0.020 . 1 . . . . 23 VAL H . 7314 1 120 . 1 1 23 23 VAL HG11 H 1 1.020 0.020 . 2 . . . . 23 VAL HG1 . 7314 1 121 . 1 1 23 23 VAL HG12 H 1 1.020 0.020 . 2 . . . . 23 VAL HG1 . 7314 1 122 . 1 1 23 23 VAL HG13 H 1 1.020 0.020 . 2 . . . . 23 VAL HG1 . 7314 1 123 . 1 1 23 23 VAL HG21 H 1 0.697 0.020 . 2 . . . . 23 VAL HG2 . 7314 1 124 . 1 1 23 23 VAL HG22 H 1 0.697 0.020 . 2 . . . . 23 VAL HG2 . 7314 1 125 . 1 1 23 23 VAL HG23 H 1 0.697 0.020 . 2 . . . . 23 VAL HG2 . 7314 1 126 . 1 1 23 23 VAL CA C 13 66.949 0.400 . 1 . . . . 23 VAL CA . 7314 1 127 . 1 1 23 23 VAL CB C 13 31.657 0.400 . 1 . . . . 23 VAL CB . 7314 1 128 . 1 1 23 23 VAL CG1 C 13 25.008 0.400 . 1 . . . . 23 VAL CG1 . 7314 1 129 . 1 1 23 23 VAL CG2 C 13 21.743 0.400 . 1 . . . . 23 VAL CG2 . 7314 1 130 . 1 1 23 23 VAL N N 15 125.279 0.400 . 1 . . . . 23 VAL N . 7314 1 131 . 1 1 24 24 GLY H H 1 6.664 0.020 . 1 . . . . 24 GLY H . 7314 1 132 . 1 1 24 24 GLY CA C 13 48.642 0.400 . 1 . . . . 24 GLY CA . 7314 1 133 . 1 1 24 24 GLY N N 15 102.079 0.400 . 1 . . . . 24 GLY N . 7314 1 134 . 1 1 25 25 PRO CA C 13 64.839 0.400 . 1 . . . . 25 PRO CA . 7314 1 135 . 1 1 26 26 ALA H H 1 6.919 0.020 . 1 . . . . 26 ALA H . 7314 1 136 . 1 1 26 26 ALA HB1 H 1 1.475 0.020 . 1 . . . . 26 ALA HB . 7314 1 137 . 1 1 26 26 ALA HB2 H 1 1.475 0.020 . 1 . . . . 26 ALA HB . 7314 1 138 . 1 1 26 26 ALA HB3 H 1 1.475 0.020 . 1 . . . . 26 ALA HB . 7314 1 139 . 1 1 26 26 ALA CA C 13 54.644 0.400 . 1 . . . . 26 ALA CA . 7314 1 140 . 1 1 26 26 ALA CB C 13 18.372 0.400 . 1 . . . . 26 ALA CB . 7314 1 141 . 1 1 26 26 ALA N N 15 116.826 0.400 . 1 . . . . 26 ALA N . 7314 1 142 . 1 1 27 27 LEU H H 1 7.521 0.020 . 1 . . . . 27 LEU H . 7314 1 143 . 1 1 27 27 LEU HD11 H 1 0.272 0.020 . 2 . . . . 27 LEU HD1 . 7314 1 144 . 1 1 27 27 LEU HD12 H 1 0.272 0.020 . 2 . . . . 27 LEU HD1 . 7314 1 145 . 1 1 27 27 LEU HD13 H 1 0.272 0.020 . 2 . . . . 27 LEU HD1 . 7314 1 146 . 1 1 27 27 LEU HD21 H 1 0.163 0.020 . 2 . . . . 27 LEU HD2 . 7314 1 147 . 1 1 27 27 LEU HD22 H 1 0.163 0.020 . 2 . . . . 27 LEU HD2 . 7314 1 148 . 1 1 27 27 LEU HD23 H 1 0.163 0.020 . 2 . . . . 27 LEU HD2 . 7314 1 149 . 1 1 27 27 LEU CA C 13 57.017 0.400 . 1 . . . . 27 LEU CA . 7314 1 150 . 1 1 27 27 LEU CB C 13 41.621 0.400 . 1 . . . . 27 LEU CB . 7314 1 151 . 1 1 27 27 LEU CD1 C 13 24.489 0.400 . 1 . . . . 27 LEU CD1 . 7314 1 152 . 1 1 27 27 LEU CD2 C 13 23.944 0.400 . 1 . . . . 27 LEU CD2 . 7314 1 153 . 1 1 27 27 LEU N N 15 113.462 0.400 . 1 . . . . 27 LEU N . 7314 1 154 . 1 1 28 28 GLY H H 1 9.035 0.020 . 1 . . . . 28 GLY H . 7314 1 155 . 1 1 28 28 GLY CA C 13 46.628 0.400 . 1 . . . . 28 GLY CA . 7314 1 156 . 1 1 28 28 GLY N N 15 109.146 0.400 . 1 . . . . 28 GLY N . 7314 1 157 . 1 1 29 29 GLN H H 1 7.586 0.020 . 1 . . . . 29 GLN H . 7314 1 158 . 1 1 29 29 GLN CA C 13 57.713 0.400 . 1 . . . . 29 GLN CA . 7314 1 159 . 1 1 29 29 GLN CB C 13 26.607 0.400 . 1 . . . . 29 GLN CB . 7314 1 160 . 1 1 29 29 GLN CG C 13 32.589 0.400 . 1 . . . . 29 GLN CG . 7314 1 161 . 1 1 29 29 GLN N N 15 118.208 0.400 . 1 . . . . 29 GLN N . 7314 1 162 . 1 1 30 30 HIS H H 1 6.755 0.020 . 1 . . . . 30 HIS H . 7314 1 163 . 1 1 30 30 HIS HD2 H 1 7.170 0.020 . 1 . . . . 30 HIS HD2 . 7314 1 164 . 1 1 30 30 HIS HE1 H 1 8.087 0.020 . 1 . . . . 30 HIS HE1 . 7314 1 165 . 1 1 30 30 HIS CA C 13 55.153 0.400 . 1 . . . . 30 HIS CA . 7314 1 166 . 1 1 30 30 HIS CB C 13 32.203 0.400 . 1 . . . . 30 HIS CB . 7314 1 167 . 1 1 30 30 HIS CD2 C 13 123.182 0.400 . 1 . . . . 30 HIS CD2 . 7314 1 168 . 1 1 30 30 HIS CE1 C 13 132.868 0.400 . 1 . . . . 30 HIS CE1 . 7314 1 169 . 1 1 30 30 HIS N N 15 113.799 0.400 . 1 . . . . 30 HIS N . 7314 1 170 . 1 1 31 31 GLY H H 1 7.627 0.020 . 1 . . . . 31 GLY H . 7314 1 171 . 1 1 31 31 GLY CA C 13 45.970 0.400 . 1 . . . . 31 GLY CA . 7314 1 172 . 1 1 31 31 GLY N N 15 105.964 0.400 . 1 . . . . 31 GLY N . 7314 1 173 . 1 1 32 32 ALA H H 1 6.985 0.020 . 1 . . . . 32 ALA H . 7314 1 174 . 1 1 32 32 ALA HB1 H 1 1.199 0.020 . 1 . . . . 32 ALA HB . 7314 1 175 . 1 1 32 32 ALA HB2 H 1 1.199 0.020 . 1 . . . . 32 ALA HB . 7314 1 176 . 1 1 32 32 ALA HB3 H 1 1.199 0.020 . 1 . . . . 32 ALA HB . 7314 1 177 . 1 1 32 32 ALA CA C 13 51.054 0.400 . 1 . . . . 32 ALA CA . 7314 1 178 . 1 1 32 32 ALA CB C 13 19.555 0.400 . 1 . . . . 32 ALA CB . 7314 1 179 . 1 1 32 32 ALA N N 15 119.434 0.400 . 1 . . . . 32 ALA N . 7314 1 180 . 1 1 33 33 ASN H H 1 9.055 0.020 . 1 . . . . 33 ASN H . 7314 1 181 . 1 1 33 33 ASN CA C 13 53.849 0.400 . 1 . . . . 33 ASN CA . 7314 1 182 . 1 1 33 33 ASN CB C 13 37.663 0.400 . 1 . . . . 33 ASN CB . 7314 1 183 . 1 1 33 33 ASN N N 15 119.002 0.400 . 1 . . . . 33 ASN N . 7314 1 184 . 1 1 34 34 ILE H H 1 7.848 0.020 . 1 . . . . 34 ILE H . 7314 1 185 . 1 1 34 34 ILE HD11 H 1 0.974 0.020 . 1 . . . . 34 ILE HD1 . 7314 1 186 . 1 1 34 34 ILE HD12 H 1 0.974 0.020 . 1 . . . . 34 ILE HD1 . 7314 1 187 . 1 1 34 34 ILE HD13 H 1 0.974 0.020 . 1 . . . . 34 ILE HD1 . 7314 1 188 . 1 1 34 34 ILE CA C 13 65.415 0.400 . 1 . . . . 34 ILE CA . 7314 1 189 . 1 1 34 34 ILE CB C 13 39.301 0.400 . 1 . . . . 34 ILE CB . 7314 1 190 . 1 1 34 34 ILE CG2 C 13 18.394 0.400 . 1 . . . . 34 ILE CG2 . 7314 1 191 . 1 1 34 34 ILE CD1 C 13 14.969 0.400 . 1 . . . . 34 ILE CD1 . 7314 1 192 . 1 1 34 34 ILE N N 15 126.610 0.400 . 1 . . . . 34 ILE N . 7314 1 193 . 1 1 35 35 MET H H 1 8.167 0.020 . 1 . . . . 35 MET H . 7314 1 194 . 1 1 35 35 MET CA C 13 56.907 0.400 . 1 . . . . 35 MET CA . 7314 1 195 . 1 1 35 35 MET CB C 13 29.610 0.400 . 1 . . . . 35 MET CB . 7314 1 196 . 1 1 35 35 MET CG C 13 32.516 0.400 . 1 . . . . 35 MET CG . 7314 1 197 . 1 1 35 35 MET N N 15 116.057 0.400 . 1 . . . . 35 MET N . 7314 1 198 . 1 1 36 36 GLU H H 1 7.946 0.020 . 1 . . . . 36 GLU H . 7314 1 199 . 1 1 36 36 GLU HG2 H 1 2.392 0.020 . 1 . . . . 36 GLU HG2 . 7314 1 200 . 1 1 36 36 GLU HG3 H 1 2.392 0.020 . 1 . . . . 36 GLU HG3 . 7314 1 201 . 1 1 36 36 GLU CA C 13 59.111 0.400 . 1 . . . . 36 GLU CA . 7314 1 202 . 1 1 36 36 GLU CB C 13 29.064 0.400 . 1 . . . . 36 GLU CB . 7314 1 203 . 1 1 36 36 GLU CG C 13 36.738 0.400 . 1 . . . . 36 GLU CG . 7314 1 204 . 1 1 36 36 GLU N N 15 119.104 0.400 . 1 . . . . 36 GLU N . 7314 1 205 . 1 1 37 37 PHE H H 1 7.756 0.020 . 1 . . . . 37 PHE H . 7314 1 206 . 1 1 37 37 PHE HD1 H 1 6.535 0.020 . 1 . . . . 37 PHE HD1 . 7314 1 207 . 1 1 37 37 PHE HZ H 1 6.292 0.020 . 1 . . . . 37 PHE HZ . 7314 1 208 . 1 1 37 37 PHE CA C 13 62.208 0.400 . 1 . . . . 37 PHE CA . 7314 1 209 . 1 1 37 37 PHE CB C 13 37.663 0.400 . 1 . . . . 37 PHE CB . 7314 1 210 . 1 1 37 37 PHE CD1 C 13 129.455 0.400 . 1 . . . . 37 PHE CD1 . 7314 1 211 . 1 1 37 37 PHE CZ C 13 128.431 0.400 . 1 . . . . 37 PHE CZ . 7314 1 212 . 1 1 37 37 PHE N N 15 119.419 0.400 . 1 . . . . 37 PHE N . 7314 1 213 . 1 1 38 38 VAL H H 1 8.318 0.020 . 1 . . . . 38 VAL H . 7314 1 214 . 1 1 38 38 VAL HG11 H 1 0.755 0.020 . 2 . . . . 38 VAL HG1 . 7314 1 215 . 1 1 38 38 VAL HG12 H 1 0.755 0.020 . 2 . . . . 38 VAL HG1 . 7314 1 216 . 1 1 38 38 VAL HG13 H 1 0.755 0.020 . 2 . . . . 38 VAL HG1 . 7314 1 217 . 1 1 38 38 VAL CA C 13 67.224 0.400 . 1 . . . . 38 VAL CA . 7314 1 218 . 1 1 38 38 VAL CB C 13 31.566 0.400 . 1 . . . . 38 VAL CB . 7314 1 219 . 1 1 38 38 VAL CG1 C 13 23.620 0.400 . 1 . . . . 38 VAL CG1 . 7314 1 220 . 1 1 38 38 VAL N N 15 118.970 0.400 . 1 . . . . 38 VAL N . 7314 1 221 . 1 1 39 39 LYS H H 1 7.812 0.020 . 1 . . . . 39 LYS H . 7314 1 222 . 1 1 39 39 LYS CA C 13 59.593 0.400 . 1 . . . . 39 LYS CA . 7314 1 223 . 1 1 39 39 LYS CB C 13 31.930 0.400 . 1 . . . . 39 LYS CB . 7314 1 224 . 1 1 39 39 LYS N N 15 116.240 0.400 . 1 . . . . 39 LYS N . 7314 1 225 . 1 1 40 40 ALA H H 1 7.795 0.020 . 1 . . . . 40 ALA H . 7314 1 226 . 1 1 40 40 ALA HB1 H 1 1.768 0.020 . 1 . . . . 40 ALA HB . 7314 1 227 . 1 1 40 40 ALA HB2 H 1 1.768 0.020 . 1 . . . . 40 ALA HB . 7314 1 228 . 1 1 40 40 ALA HB3 H 1 1.768 0.020 . 1 . . . . 40 ALA HB . 7314 1 229 . 1 1 40 40 ALA CA C 13 54.863 0.400 . 1 . . . . 40 ALA CA . 7314 1 230 . 1 1 40 40 ALA CB C 13 18.617 0.400 . 1 . . . . 40 ALA CB . 7314 1 231 . 1 1 40 40 ALA N N 15 121.866 0.400 . 1 . . . . 40 ALA N . 7314 1 232 . 1 1 41 41 PHE H H 1 8.981 0.020 . 1 . . . . 41 PHE H . 7314 1 233 . 1 1 41 41 PHE HD1 H 1 7.473 0.020 . 1 . . . . 41 PHE HD1 . 7314 1 234 . 1 1 41 41 PHE HE1 H 1 7.369 0.020 . 1 . . . . 41 PHE HE1 . 7314 1 235 . 1 1 41 41 PHE HZ H 1 7.132 0.020 . 1 . . . . 41 PHE HZ . 7314 1 236 . 1 1 41 41 PHE CA C 13 61.907 0.400 . 1 . . . . 41 PHE CA . 7314 1 237 . 1 1 41 41 PHE CB C 13 37.890 0.400 . 1 . . . . 41 PHE CB . 7314 1 238 . 1 1 41 41 PHE CD1 C 13 129.257 0.400 . 1 . . . . 41 PHE CD1 . 7314 1 239 . 1 1 41 41 PHE CE1 C 13 129.827 0.400 . 1 . . . . 41 PHE CE1 . 7314 1 240 . 1 1 41 41 PHE CZ C 13 128.451 0.400 . 1 . . . . 41 PHE CZ . 7314 1 241 . 1 1 41 41 PHE N N 15 121.283 0.400 . 1 . . . . 41 PHE N . 7314 1 242 . 1 1 42 42 ASN H H 1 8.519 0.020 . 1 . . . . 42 ASN H . 7314 1 243 . 1 1 42 42 ASN CA C 13 55.822 0.400 . 1 . . . . 42 ASN CA . 7314 1 244 . 1 1 42 42 ASN CB C 13 35.707 0.400 . 1 . . . . 42 ASN CB . 7314 1 245 . 1 1 42 42 ASN N N 15 121.628 0.400 . 1 . . . . 42 ASN N . 7314 1 246 . 1 1 43 43 ALA H H 1 7.667 0.020 . 1 . . . . 43 ALA H . 7314 1 247 . 1 1 43 43 ALA HB1 H 1 1.492 0.020 . 1 . . . . 43 ALA HB . 7314 1 248 . 1 1 43 43 ALA HB2 H 1 1.492 0.020 . 1 . . . . 43 ALA HB . 7314 1 249 . 1 1 43 43 ALA HB3 H 1 1.492 0.020 . 1 . . . . 43 ALA HB . 7314 1 250 . 1 1 43 43 ALA CA C 13 54.616 0.400 . 1 . . . . 43 ALA CA . 7314 1 251 . 1 1 43 43 ALA CB C 13 18.008 0.400 . 1 . . . . 43 ALA CB . 7314 1 252 . 1 1 43 43 ALA N N 15 120.684 0.400 . 1 . . . . 43 ALA N . 7314 1 253 . 1 1 44 44 ALA H H 1 7.765 0.020 . 1 . . . . 44 ALA H . 7314 1 254 . 1 1 44 44 ALA HB1 H 1 1.573 0.020 . 1 . . . . 44 ALA HB . 7314 1 255 . 1 1 44 44 ALA HB2 H 1 1.573 0.020 . 1 . . . . 44 ALA HB . 7314 1 256 . 1 1 44 44 ALA HB3 H 1 1.573 0.020 . 1 . . . . 44 ALA HB . 7314 1 257 . 1 1 44 44 ALA CA C 13 54.096 0.400 . 1 . . . . 44 ALA CA . 7314 1 258 . 1 1 44 44 ALA CB C 13 18.372 0.400 . 1 . . . . 44 ALA CB . 7314 1 259 . 1 1 44 44 ALA N N 15 118.376 0.400 . 1 . . . . 44 ALA N . 7314 1 260 . 1 1 45 45 THR H H 1 7.335 0.020 . 1 . . . . 45 THR H . 7314 1 261 . 1 1 45 45 THR HG21 H 1 0.657 0.020 . 1 . . . . 45 THR HG2 . 7314 1 262 . 1 1 45 45 THR HG22 H 1 0.657 0.020 . 1 . . . . 45 THR HG2 . 7314 1 263 . 1 1 45 45 THR HG23 H 1 0.657 0.020 . 1 . . . . 45 THR HG2 . 7314 1 264 . 1 1 45 45 THR CA C 13 61.046 0.400 . 1 . . . . 45 THR CA . 7314 1 265 . 1 1 45 45 THR CB C 13 69.648 0.400 . 1 . . . . 45 THR CB . 7314 1 266 . 1 1 45 45 THR CG2 C 13 20.290 0.400 . 1 . . . . 45 THR CG2 . 7314 1 267 . 1 1 45 45 THR N N 15 103.432 0.400 . 1 . . . . 45 THR N . 7314 1 268 . 1 1 46 46 ALA H H 1 7.001 0.020 . 1 . . . . 46 ALA H . 7314 1 269 . 1 1 46 46 ALA HB1 H 1 1.500 0.020 . 1 . . . . 46 ALA HB . 7314 1 270 . 1 1 46 46 ALA HB2 H 1 1.500 0.020 . 1 . . . . 46 ALA HB . 7314 1 271 . 1 1 46 46 ALA HB3 H 1 1.500 0.020 . 1 . . . . 46 ALA HB . 7314 1 272 . 1 1 46 46 ALA CA C 13 54.906 0.400 . 1 . . . . 46 ALA CA . 7314 1 273 . 1 1 46 46 ALA CB C 13 18.554 0.400 . 1 . . . . 46 ALA CB . 7314 1 274 . 1 1 46 46 ALA N N 15 123.945 0.400 . 1 . . . . 46 ALA N . 7314 1 275 . 1 1 47 47 ASN H H 1 8.382 0.020 . 1 . . . . 47 ASN H . 7314 1 276 . 1 1 47 47 ASN CA C 13 52.999 0.400 . 1 . . . . 47 ASN CA . 7314 1 277 . 1 1 47 47 ASN CB C 13 37.799 0.400 . 1 . . . . 47 ASN CB . 7314 1 278 . 1 1 47 47 ASN N N 15 112.613 0.400 . 1 . . . . 47 ASN N . 7314 1 279 . 1 1 48 48 MET H H 1 7.589 0.020 . 1 . . . . 48 MET H . 7314 1 280 . 1 1 48 48 MET HG2 H 1 2.449 0.020 . 1 . . . . 48 MET HG2 . 7314 1 281 . 1 1 48 48 MET HG3 H 1 2.449 0.020 . 1 . . . . 48 MET HG3 . 7314 1 282 . 1 1 48 48 MET CA C 13 56.386 0.400 . 1 . . . . 48 MET CA . 7314 1 283 . 1 1 48 48 MET CB C 13 32.067 0.400 . 1 . . . . 48 MET CB . 7314 1 284 . 1 1 48 48 MET CG C 13 31.932 0.400 . 1 . . . . 48 MET CG . 7314 1 285 . 1 1 48 48 MET N N 15 117.138 0.400 . 1 . . . . 48 MET N . 7314 1 286 . 1 1 49 49 GLY H H 1 7.966 0.020 . 1 . . . . 49 GLY H . 7314 1 287 . 1 1 49 49 GLY CA C 13 45.970 0.400 . 1 . . . . 49 GLY CA . 7314 1 288 . 1 1 49 49 GLY N N 15 108.408 0.400 . 1 . . . . 49 GLY N . 7314 1 289 . 1 1 50 50 ASP H H 1 8.216 0.020 . 1 . . . . 50 ASP H . 7314 1 290 . 1 1 50 50 ASP CA C 13 53.508 0.400 . 1 . . . . 50 ASP CA . 7314 1 291 . 1 1 50 50 ASP CB C 13 40.211 0.400 . 1 . . . . 50 ASP CB . 7314 1 292 . 1 1 50 50 ASP N N 15 122.559 0.400 . 1 . . . . 50 ASP N . 7314 1 293 . 1 1 51 51 ALA H H 1 7.384 0.020 . 1 . . . . 51 ALA H . 7314 1 294 . 1 1 51 51 ALA HB1 H 1 1.133 0.020 . 1 . . . . 51 ALA HB . 7314 1 295 . 1 1 51 51 ALA HB2 H 1 1.133 0.020 . 1 . . . . 51 ALA HB . 7314 1 296 . 1 1 51 51 ALA HB3 H 1 1.133 0.020 . 1 . . . . 51 ALA HB . 7314 1 297 . 1 1 51 51 ALA CA C 13 52.138 0.400 . 1 . . . . 51 ALA CA . 7314 1 298 . 1 1 51 51 ALA CB C 13 19.100 0.400 . 1 . . . . 51 ALA CB . 7314 1 299 . 1 1 51 51 ALA N N 15 123.243 0.400 . 1 . . . . 51 ALA N . 7314 1 300 . 1 1 52 52 ILE H H 1 7.274 0.020 . 1 . . . . 52 ILE H . 7314 1 301 . 1 1 52 52 ILE HG21 H 1 0.330 0.020 . 1 . . . . 52 ILE HG2 . 7314 1 302 . 1 1 52 52 ILE HG22 H 1 0.330 0.020 . 1 . . . . 52 ILE HG2 . 7314 1 303 . 1 1 52 52 ILE HG23 H 1 0.330 0.020 . 1 . . . . 52 ILE HG2 . 7314 1 304 . 1 1 52 52 ILE HD11 H 1 0.564 0.020 . 1 . . . . 52 ILE HD1 . 7314 1 305 . 1 1 52 52 ILE HD12 H 1 0.564 0.020 . 1 . . . . 52 ILE HD1 . 7314 1 306 . 1 1 52 52 ILE HD13 H 1 0.564 0.020 . 1 . . . . 52 ILE HD1 . 7314 1 307 . 1 1 52 52 ILE CA C 13 59.456 0.400 . 1 . . . . 52 ILE CA . 7314 1 308 . 1 1 52 52 ILE CG2 C 13 16.761 0.400 . 1 . . . . 52 ILE CG2 . 7314 1 309 . 1 1 52 52 ILE CD1 C 13 10.665 0.400 . 1 . . . . 52 ILE CD1 . 7314 1 310 . 1 1 52 52 ILE N N 15 120.127 0.400 . 1 . . . . 52 ILE N . 7314 1 311 . 1 1 53 53 VAL H H 1 9.358 0.020 . 1 . . . . 53 VAL H . 7314 1 312 . 1 1 53 53 VAL CA C 13 59.401 0.400 . 1 . . . . 53 VAL CA . 7314 1 313 . 1 1 53 53 VAL CB C 13 34.160 0.400 . 1 . . . . 53 VAL CB . 7314 1 314 . 1 1 53 53 VAL N N 15 128.541 0.400 . 1 . . . . 53 VAL N . 7314 1 315 . 1 1 54 54 PRO CA C 13 61.512 0.400 . 1 . . . . 54 PRO CA . 7314 1 316 . 1 1 55 55 VAL H H 1 9.328 0.020 . 1 . . . . 55 VAL H . 7314 1 317 . 1 1 55 55 VAL HG11 H 1 0.933 0.020 . 2 . . . . 55 VAL HG1 . 7314 1 318 . 1 1 55 55 VAL HG12 H 1 0.933 0.020 . 2 . . . . 55 VAL HG1 . 7314 1 319 . 1 1 55 55 VAL HG13 H 1 0.933 0.020 . 2 . . . . 55 VAL HG1 . 7314 1 320 . 1 1 55 55 VAL CA C 13 58.661 0.400 . 1 . . . . 55 VAL CA . 7314 1 321 . 1 1 55 55 VAL CB C 13 35.434 0.400 . 1 . . . . 55 VAL CB . 7314 1 322 . 1 1 55 55 VAL CG1 C 13 21.323 0.400 . 1 . . . . 55 VAL CG1 . 7314 1 323 . 1 1 55 55 VAL N N 15 120.627 0.400 . 1 . . . . 55 VAL N . 7314 1 324 . 1 1 56 56 GLU H H 1 8.626 0.020 . 1 . . . . 56 GLU H . 7314 1 325 . 1 1 56 56 GLU HG2 H 1 1.968 0.020 . 1 . . . . 56 GLU HG2 . 7314 1 326 . 1 1 56 56 GLU HG3 H 1 1.968 0.020 . 1 . . . . 56 GLU HG3 . 7314 1 327 . 1 1 56 56 GLU CA C 13 54.781 0.400 . 1 . . . . 56 GLU CA . 7314 1 328 . 1 1 56 56 GLU CB C 13 31.475 0.400 . 1 . . . . 56 GLU CB . 7314 1 329 . 1 1 56 56 GLU CG C 13 36.564 0.400 . 1 . . . . 56 GLU CG . 7314 1 330 . 1 1 56 56 GLU N N 15 125.876 0.400 . 1 . . . . 56 GLU N . 7314 1 331 . 1 1 57 57 ILE H H 1 9.972 0.020 . 1 . . . . 57 ILE H . 7314 1 332 . 1 1 57 57 ILE HG21 H 1 0.588 0.020 . 1 . . . . 57 ILE HG2 . 7314 1 333 . 1 1 57 57 ILE HG22 H 1 0.588 0.020 . 1 . . . . 57 ILE HG2 . 7314 1 334 . 1 1 57 57 ILE HG23 H 1 0.588 0.020 . 1 . . . . 57 ILE HG2 . 7314 1 335 . 1 1 57 57 ILE HD11 H 1 -0.016 0.020 . 1 . . . . 57 ILE HD1 . 7314 1 336 . 1 1 57 57 ILE HD12 H 1 -0.016 0.020 . 1 . . . . 57 ILE HD1 . 7314 1 337 . 1 1 57 57 ILE HD13 H 1 -0.016 0.020 . 1 . . . . 57 ILE HD1 . 7314 1 338 . 1 1 57 57 ILE CA C 13 60.838 0.400 . 1 . . . . 57 ILE CA . 7314 1 339 . 1 1 57 57 ILE CB C 13 39.892 0.400 . 1 . . . . 57 ILE CB . 7314 1 340 . 1 1 57 57 ILE CG2 C 13 18.148 0.400 . 1 . . . . 57 ILE CG2 . 7314 1 341 . 1 1 57 57 ILE CD1 C 13 15.849 0.400 . 1 . . . . 57 ILE CD1 . 7314 1 342 . 1 1 57 57 ILE N N 15 131.541 0.400 . 1 . . . . 57 ILE N . 7314 1 343 . 1 1 58 58 THR H H 1 9.326 0.020 . 1 . . . . 58 THR H . 7314 1 344 . 1 1 58 58 THR HG21 H 1 0.553 0.020 . 1 . . . . 58 THR HG2 . 7314 1 345 . 1 1 58 58 THR HG22 H 1 0.553 0.020 . 1 . . . . 58 THR HG2 . 7314 1 346 . 1 1 58 58 THR HG23 H 1 0.553 0.020 . 1 . . . . 58 THR HG2 . 7314 1 347 . 1 1 58 58 THR CA C 13 63.304 0.400 . 1 . . . . 58 THR CA . 7314 1 348 . 1 1 58 58 THR CB C 13 69.466 0.400 . 1 . . . . 58 THR CB . 7314 1 349 . 1 1 58 58 THR CG2 C 13 21.961 0.400 . 1 . . . . 58 THR CG2 . 7314 1 350 . 1 1 58 58 THR N N 15 125.765 0.400 . 1 . . . . 58 THR N . 7314 1 351 . 1 1 59 59 ILE H H 1 8.660 0.020 . 1 . . . . 59 ILE H . 7314 1 352 . 1 1 59 59 ILE HG21 H 1 0.967 0.020 . 1 . . . . 59 ILE HG2 . 7314 1 353 . 1 1 59 59 ILE HG22 H 1 0.967 0.020 . 1 . . . . 59 ILE HG2 . 7314 1 354 . 1 1 59 59 ILE HG23 H 1 0.967 0.020 . 1 . . . . 59 ILE HG2 . 7314 1 355 . 1 1 59 59 ILE HD11 H 1 0.667 0.020 . 1 . . . . 59 ILE HD1 . 7314 1 356 . 1 1 59 59 ILE HD12 H 1 0.667 0.020 . 1 . . . . 59 ILE HD1 . 7314 1 357 . 1 1 59 59 ILE HD13 H 1 0.667 0.020 . 1 . . . . 59 ILE HD1 . 7314 1 358 . 1 1 59 59 ILE CA C 13 59.922 0.400 . 1 . . . . 59 ILE CA . 7314 1 359 . 1 1 59 59 ILE CB C 13 38.800 0.400 . 1 . . . . 59 ILE CB . 7314 1 360 . 1 1 59 59 ILE CG2 C 13 17.081 0.400 . 1 . . . . 59 ILE CG2 . 7314 1 361 . 1 1 59 59 ILE CD1 C 13 14.472 0.400 . 1 . . . . 59 ILE CD1 . 7314 1 362 . 1 1 59 59 ILE N N 15 124.934 0.400 . 1 . . . . 59 ILE N . 7314 1 363 . 1 1 60 60 TYR H H 1 8.635 0.020 . 1 . . . . 60 TYR H . 7314 1 364 . 1 1 60 60 TYR HD1 H 1 7.092 0.020 . 1 . . . . 60 TYR HD1 . 7314 1 365 . 1 1 60 60 TYR HE1 H 1 6.904 0.020 . 1 . . . . 60 TYR HE1 . 7314 1 366 . 1 1 60 60 TYR CA C 13 57.839 0.400 . 1 . . . . 60 TYR CA . 7314 1 367 . 1 1 60 60 TYR CB C 13 40.074 0.400 . 1 . . . . 60 TYR CB . 7314 1 368 . 1 1 60 60 TYR CD1 C 13 130.384 0.400 . 1 . . . . 60 TYR CD1 . 7314 1 369 . 1 1 60 60 TYR CE1 C 13 122.797 0.400 . 1 . . . . 60 TYR CE1 . 7314 1 370 . 1 1 60 60 TYR N N 15 125.915 0.400 . 1 . . . . 60 TYR N . 7314 1 371 . 1 1 61 61 ALA H H 1 8.745 0.020 . 1 . . . . 61 ALA H . 7314 1 372 . 1 1 61 61 ALA HB1 H 1 1.519 0.020 . 1 . . . . 61 ALA HB . 7314 1 373 . 1 1 61 61 ALA HB2 H 1 1.519 0.020 . 1 . . . . 61 ALA HB . 7314 1 374 . 1 1 61 61 ALA HB3 H 1 1.519 0.020 . 1 . . . . 61 ALA HB . 7314 1 375 . 1 1 61 61 ALA CA C 13 55.070 0.400 . 1 . . . . 61 ALA CA . 7314 1 376 . 1 1 61 61 ALA CB C 13 18.372 0.400 . 1 . . . . 61 ALA CB . 7314 1 377 . 1 1 61 61 ALA N N 15 122.239 0.400 . 1 . . . . 61 ALA N . 7314 1 378 . 1 1 62 62 ASP H H 1 7.810 0.020 . 1 . . . . 62 ASP H . 7314 1 379 . 1 1 62 62 ASP CA C 13 53.383 0.400 . 1 . . . . 62 ASP CA . 7314 1 380 . 1 1 62 62 ASP CB C 13 39.346 0.400 . 1 . . . . 62 ASP CB . 7314 1 381 . 1 1 62 62 ASP N N 15 115.283 0.400 . 1 . . . . 62 ASP N . 7314 1 382 . 1 1 63 63 ARG H H 1 8.471 0.020 . 1 . . . . 63 ARG H . 7314 1 383 . 1 1 63 63 ARG CA C 13 58.864 0.400 . 1 . . . . 63 ARG CA . 7314 1 384 . 1 1 63 63 ARG CB C 13 26.152 0.400 . 1 . . . . 63 ARG CB . 7314 1 385 . 1 1 63 63 ARG N N 15 112.651 0.400 . 1 . . . . 63 ARG N . 7314 1 386 . 1 1 64 64 SER H H 1 8.053 0.020 . 1 . . . . 64 SER H . 7314 1 387 . 1 1 64 64 SER CA C 13 59.182 0.400 . 1 . . . . 64 SER CA . 7314 1 388 . 1 1 64 64 SER CB C 13 65.143 0.400 . 1 . . . . 64 SER CB . 7314 1 389 . 1 1 64 64 SER N N 15 114.387 0.400 . 1 . . . . 64 SER N . 7314 1 390 . 1 1 65 65 PHE H H 1 7.786 0.020 . 1 . . . . 65 PHE H . 7314 1 391 . 1 1 65 65 PHE HD1 H 1 7.271 0.020 . 1 . . . . 65 PHE HD1 . 7314 1 392 . 1 1 65 65 PHE CA C 13 56.261 0.400 . 1 . . . . 65 PHE CA . 7314 1 393 . 1 1 65 65 PHE CB C 13 43.077 0.400 . 1 . . . . 65 PHE CB . 7314 1 394 . 1 1 65 65 PHE CD1 C 13 129.863 0.400 . 1 . . . . 65 PHE CD1 . 7314 1 395 . 1 1 65 65 PHE N N 15 111.320 0.400 . 1 . . . . 65 PHE N . 7314 1 396 . 1 1 66 66 THR H H 1 9.212 0.020 . 1 . . . . 66 THR H . 7314 1 397 . 1 1 66 66 THR HG21 H 1 1.352 0.020 . 1 . . . . 66 THR HG2 . 7314 1 398 . 1 1 66 66 THR HG22 H 1 1.352 0.020 . 1 . . . . 66 THR HG2 . 7314 1 399 . 1 1 66 66 THR HG23 H 1 1.352 0.020 . 1 . . . . 66 THR HG2 . 7314 1 400 . 1 1 66 66 THR CA C 13 60.690 0.400 . 1 . . . . 66 THR CA . 7314 1 401 . 1 1 66 66 THR CB C 13 72.605 0.400 . 1 . . . . 66 THR CB . 7314 1 402 . 1 1 66 66 THR CG2 C 13 21.706 0.400 . 1 . . . . 66 THR CG2 . 7314 1 403 . 1 1 66 66 THR N N 15 111.901 0.400 . 1 . . . . 66 THR N . 7314 1 404 . 1 1 67 67 PHE H H 1 8.808 0.020 . 1 . . . . 67 PHE H . 7314 1 405 . 1 1 67 67 PHE HD1 H 1 7.694 0.020 . 1 . . . . 67 PHE HD1 . 7314 1 406 . 1 1 67 67 PHE HZ H 1 7.284 0.020 . 1 . . . . 67 PHE HZ . 7314 1 407 . 1 1 67 67 PHE CA C 13 56.316 0.400 . 1 . . . . 67 PHE CA . 7314 1 408 . 1 1 67 67 PHE CB C 13 43.168 0.400 . 1 . . . . 67 PHE CB . 7314 1 409 . 1 1 67 67 PHE CD1 C 13 129.275 0.400 . 1 . . . . 67 PHE CD1 . 7314 1 410 . 1 1 67 67 PHE CZ C 13 128.363 0.400 . 1 . . . . 67 PHE CZ . 7314 1 411 . 1 1 67 67 PHE N N 15 116.344 0.400 . 1 . . . . 67 PHE N . 7314 1 412 . 1 1 68 68 VAL H H 1 8.481 0.020 . 1 . . . . 68 VAL H . 7314 1 413 . 1 1 68 68 VAL HG11 H 1 1.035 0.020 . 2 . . . . 68 VAL HG1 . 7314 1 414 . 1 1 68 68 VAL HG12 H 1 1.035 0.020 . 2 . . . . 68 VAL HG1 . 7314 1 415 . 1 1 68 68 VAL HG13 H 1 1.035 0.020 . 2 . . . . 68 VAL HG1 . 7314 1 416 . 1 1 68 68 VAL CA C 13 60.043 0.400 . 1 . . . . 68 VAL CA . 7314 1 417 . 1 1 68 68 VAL CB C 13 35.297 0.400 . 1 . . . . 68 VAL CB . 7314 1 418 . 1 1 68 68 VAL CG1 C 13 20.141 0.400 . 1 . . . . 68 VAL CG1 . 7314 1 419 . 1 1 68 68 VAL N N 15 116.157 0.400 . 1 . . . . 68 VAL N . 7314 1 420 . 1 1 69 69 THR H H 1 8.427 0.020 . 1 . . . . 69 THR H . 7314 1 421 . 1 1 69 69 THR HG21 H 1 1.036 0.020 . 1 . . . . 69 THR HG2 . 7314 1 422 . 1 1 69 69 THR HG22 H 1 1.036 0.020 . 1 . . . . 69 THR HG2 . 7314 1 423 . 1 1 69 69 THR HG23 H 1 1.036 0.020 . 1 . . . . 69 THR HG2 . 7314 1 424 . 1 1 69 69 THR CA C 13 60.004 0.400 . 1 . . . . 69 THR CA . 7314 1 425 . 1 1 69 69 THR CB C 13 69.966 0.400 . 1 . . . . 69 THR CB . 7314 1 426 . 1 1 69 69 THR CG2 C 13 21.292 0.400 . 1 . . . . 69 THR CG2 . 7314 1 427 . 1 1 69 69 THR N N 15 114.153 0.400 . 1 . . . . 69 THR N . 7314 1 428 . 1 1 70 70 LYS H H 1 8.226 0.020 . 1 . . . . 70 LYS H . 7314 1 429 . 1 1 70 70 LYS CA C 13 54.166 0.400 . 1 . . . . 70 LYS CA . 7314 1 430 . 1 1 70 70 LYS CB C 13 33.614 0.400 . 1 . . . . 70 LYS CB . 7314 1 431 . 1 1 70 70 LYS N N 15 121.101 0.400 . 1 . . . . 70 LYS N . 7314 1 432 . 1 1 71 71 THR H H 1 9.215 0.020 . 1 . . . . 71 THR H . 7314 1 433 . 1 1 71 71 THR HG21 H 1 1.526 0.020 . 1 . . . . 71 THR HG2 . 7314 1 434 . 1 1 71 71 THR HG22 H 1 1.526 0.020 . 1 . . . . 71 THR HG2 . 7314 1 435 . 1 1 71 71 THR HG23 H 1 1.526 0.020 . 1 . . . . 71 THR HG2 . 7314 1 436 . 1 1 71 71 THR CA C 13 61.320 0.400 . 1 . . . . 71 THR CA . 7314 1 437 . 1 1 71 71 THR CB C 13 69.147 0.400 . 1 . . . . 71 THR CB . 7314 1 438 . 1 1 71 71 THR CG2 C 13 22.085 0.400 . 1 . . . . 71 THR CG2 . 7314 1 439 . 1 1 71 71 THR N N 15 113.063 0.400 . 1 . . . . 71 THR N . 7314 1 440 . 1 1 73 73 PRO CA C 13 62.225 0.400 . 1 . . . . 73 PRO CA . 7314 1 441 . 1 1 74 74 ALA H H 1 9.595 0.020 . 1 . . . . 74 ALA H . 7314 1 442 . 1 1 74 74 ALA HB1 H 1 1.479 0.020 . 1 . . . . 74 ALA HB . 7314 1 443 . 1 1 74 74 ALA HB2 H 1 1.479 0.020 . 1 . . . . 74 ALA HB . 7314 1 444 . 1 1 74 74 ALA HB3 H 1 1.479 0.020 . 1 . . . . 74 ALA HB . 7314 1 445 . 1 1 74 74 ALA CA C 13 56.551 0.400 . 1 . . . . 74 ALA CA . 7314 1 446 . 1 1 74 74 ALA CB C 13 17.160 0.400 . 1 . . . . 74 ALA CB . 7314 1 447 . 1 1 74 74 ALA N N 15 126.536 0.400 . 1 . . . . 74 ALA N . 7314 1 448 . 1 1 75 75 SER H H 1 9.054 0.020 . 1 . . . . 75 SER H . 7314 1 449 . 1 1 75 75 SER CA C 13 60.580 0.400 . 1 . . . . 75 SER CA . 7314 1 450 . 1 1 75 75 SER CB C 13 62.505 0.400 . 1 . . . . 75 SER CB . 7314 1 451 . 1 1 75 75 SER N N 15 110.348 0.400 . 1 . . . . 75 SER N . 7314 1 452 . 1 1 76 76 TYR H H 1 6.892 0.020 . 1 . . . . 76 TYR H . 7314 1 453 . 1 1 76 76 TYR HD1 H 1 7.175 0.020 . 1 . . . . 76 TYR HD1 . 7314 1 454 . 1 1 76 76 TYR HE1 H 1 6.824 0.020 . 1 . . . . 76 TYR HE1 . 7314 1 455 . 1 1 76 76 TYR CA C 13 61.210 0.400 . 1 . . . . 76 TYR CA . 7314 1 456 . 1 1 76 76 TYR CB C 13 37.845 0.400 . 1 . . . . 76 TYR CB . 7314 1 457 . 1 1 76 76 TYR CD1 C 13 130.417 0.400 . 1 . . . . 76 TYR CD1 . 7314 1 458 . 1 1 76 76 TYR CE1 C 13 122.779 0.400 . 1 . . . . 76 TYR CE1 . 7314 1 459 . 1 1 76 76 TYR N N 15 122.961 0.400 . 1 . . . . 76 TYR N . 7314 1 460 . 1 1 77 77 LEU H H 1 7.830 0.020 . 1 . . . . 77 LEU H . 7314 1 461 . 1 1 77 77 LEU HD11 H 1 0.918 0.020 . 2 . . . . 77 LEU HD1 . 7314 1 462 . 1 1 77 77 LEU HD12 H 1 0.918 0.020 . 2 . . . . 77 LEU HD1 . 7314 1 463 . 1 1 77 77 LEU HD13 H 1 0.918 0.020 . 2 . . . . 77 LEU HD1 . 7314 1 464 . 1 1 77 77 LEU HD21 H 1 0.579 0.020 . 2 . . . . 77 LEU HD2 . 7314 1 465 . 1 1 77 77 LEU HD22 H 1 0.579 0.020 . 2 . . . . 77 LEU HD2 . 7314 1 466 . 1 1 77 77 LEU HD23 H 1 0.579 0.020 . 2 . . . . 77 LEU HD2 . 7314 1 467 . 1 1 77 77 LEU CA C 13 57.494 0.400 . 1 . . . . 77 LEU CA . 7314 1 468 . 1 1 77 77 LEU CB C 13 41.894 0.400 . 1 . . . . 77 LEU CB . 7314 1 469 . 1 1 77 77 LEU CD1 C 13 26.739 0.400 . 1 . . . . 77 LEU CD1 . 7314 1 470 . 1 1 77 77 LEU CD2 C 13 22.325 0.400 . 1 . . . . 77 LEU CD2 . 7314 1 471 . 1 1 77 77 LEU N N 15 118.178 0.400 . 1 . . . . 77 LEU N . 7314 1 472 . 1 1 78 78 ILE H H 1 8.863 0.020 . 1 . . . . 78 ILE H . 7314 1 473 . 1 1 78 78 ILE HG21 H 1 0.687 0.020 . 1 . . . . 78 ILE HG2 . 7314 1 474 . 1 1 78 78 ILE HG22 H 1 0.687 0.020 . 1 . . . . 78 ILE HG2 . 7314 1 475 . 1 1 78 78 ILE HG23 H 1 0.687 0.020 . 1 . . . . 78 ILE HG2 . 7314 1 476 . 1 1 78 78 ILE HD11 H 1 0.749 0.020 . 1 . . . . 78 ILE HD1 . 7314 1 477 . 1 1 78 78 ILE HD12 H 1 0.749 0.020 . 1 . . . . 78 ILE HD1 . 7314 1 478 . 1 1 78 78 ILE HD13 H 1 0.749 0.020 . 1 . . . . 78 ILE HD1 . 7314 1 479 . 1 1 78 78 ILE CA C 13 65.788 0.400 . 1 . . . . 78 ILE CA . 7314 1 480 . 1 1 78 78 ILE CB C 13 37.208 0.400 . 1 . . . . 78 ILE CB . 7314 1 481 . 1 1 78 78 ILE CG2 C 13 17.604 0.400 . 1 . . . . 78 ILE CG2 . 7314 1 482 . 1 1 78 78 ILE CD1 C 13 14.468 0.400 . 1 . . . . 78 ILE CD1 . 7314 1 483 . 1 1 78 78 ILE N N 15 120.244 0.400 . 1 . . . . 78 ILE N . 7314 1 484 . 1 1 79 79 ARG H H 1 7.921 0.020 . 1 . . . . 79 ARG H . 7314 1 485 . 1 1 79 79 ARG CA C 13 61.320 0.400 . 1 . . . . 79 ARG CA . 7314 1 486 . 1 1 79 79 ARG CB C 13 28.473 0.400 . 1 . . . . 79 ARG CB . 7314 1 487 . 1 1 79 79 ARG N N 15 117.942 0.400 . 1 . . . . 79 ARG N . 7314 1 488 . 1 1 80 80 LYS H H 1 7.795 0.020 . 1 . . . . 80 LYS H . 7314 1 489 . 1 1 80 80 LYS CA C 13 58.223 0.400 . 1 . . . . 80 LYS CA . 7314 1 490 . 1 1 80 80 LYS CB C 13 30.565 0.400 . 1 . . . . 80 LYS CB . 7314 1 491 . 1 1 80 80 LYS N N 15 117.486 0.400 . 1 . . . . 80 LYS N . 7314 1 492 . 1 1 81 81 ALA H H 1 7.634 0.020 . 1 . . . . 81 ALA H . 7314 1 493 . 1 1 81 81 ALA HB1 H 1 1.427 0.020 . 1 . . . . 81 ALA HB . 7314 1 494 . 1 1 81 81 ALA HB2 H 1 1.427 0.020 . 1 . . . . 81 ALA HB . 7314 1 495 . 1 1 81 81 ALA HB3 H 1 1.427 0.020 . 1 . . . . 81 ALA HB . 7314 1 496 . 1 1 81 81 ALA CA C 13 54.616 0.400 . 1 . . . . 81 ALA CA . 7314 1 497 . 1 1 81 81 ALA CB C 13 18.236 0.400 . 1 . . . . 81 ALA CB . 7314 1 498 . 1 1 81 81 ALA N N 15 122.018 0.400 . 1 . . . . 81 ALA N . 7314 1 499 . 1 1 82 82 ALA H H 1 8.041 0.020 . 1 . . . . 82 ALA H . 7314 1 500 . 1 1 82 82 ALA HB1 H 1 1.202 0.020 . 1 . . . . 82 ALA HB . 7314 1 501 . 1 1 82 82 ALA HB2 H 1 1.202 0.020 . 1 . . . . 82 ALA HB . 7314 1 502 . 1 1 82 82 ALA HB3 H 1 1.202 0.020 . 1 . . . . 82 ALA HB . 7314 1 503 . 1 1 82 82 ALA CA C 13 51.766 0.400 . 1 . . . . 82 ALA CA . 7314 1 504 . 1 1 82 82 ALA CB C 13 19.146 0.400 . 1 . . . . 82 ALA CB . 7314 1 505 . 1 1 82 82 ALA N N 15 116.263 0.400 . 1 . . . . 82 ALA N . 7314 1 506 . 1 1 83 83 GLY H H 1 7.703 0.020 . 1 . . . . 83 GLY H . 7314 1 507 . 1 1 83 83 GLY CA C 13 46.531 0.400 . 1 . . . . 83 GLY CA . 7314 1 508 . 1 1 83 83 GLY N N 15 108.505 0.400 . 1 . . . . 83 GLY N . 7314 1 509 . 1 1 84 84 LEU H H 1 8.143 0.020 . 1 . . . . 84 LEU H . 7314 1 510 . 1 1 84 84 LEU HD11 H 1 0.599 0.020 . 2 . . . . 84 LEU HD1 . 7314 1 511 . 1 1 84 84 LEU HD12 H 1 0.599 0.020 . 2 . . . . 84 LEU HD1 . 7314 1 512 . 1 1 84 84 LEU HD13 H 1 0.599 0.020 . 2 . . . . 84 LEU HD1 . 7314 1 513 . 1 1 84 84 LEU HD21 H 1 0.545 0.020 . 2 . . . . 84 LEU HD2 . 7314 1 514 . 1 1 84 84 LEU HD22 H 1 0.545 0.020 . 2 . . . . 84 LEU HD2 . 7314 1 515 . 1 1 84 84 LEU HD23 H 1 0.545 0.020 . 2 . . . . 84 LEU HD2 . 7314 1 516 . 1 1 84 84 LEU CA C 13 53.164 0.400 . 1 . . . . 84 LEU CA . 7314 1 517 . 1 1 84 84 LEU CB C 13 44.761 0.400 . 1 . . . . 84 LEU CB . 7314 1 518 . 1 1 84 84 LEU CD1 C 13 26.298 0.400 . 1 . . . . 84 LEU CD1 . 7314 1 519 . 1 1 84 84 LEU CD2 C 13 22.660 0.400 . 1 . . . . 84 LEU CD2 . 7314 1 520 . 1 1 84 84 LEU N N 15 117.960 0.400 . 1 . . . . 84 LEU N . 7314 1 521 . 1 1 85 85 GLU H H 1 8.674 0.020 . 1 . . . . 85 GLU H . 7314 1 522 . 1 1 85 85 GLU HG2 H 1 2.228 0.020 . 1 . . . . 85 GLU HG2 . 7314 1 523 . 1 1 85 85 GLU HG3 H 1 2.228 0.020 . 1 . . . . 85 GLU HG3 . 7314 1 524 . 1 1 85 85 GLU CA C 13 57.412 0.400 . 1 . . . . 85 GLU CA . 7314 1 525 . 1 1 85 85 GLU CG C 13 36.302 0.400 . 1 . . . . 85 GLU CG . 7314 1 526 . 1 1 85 85 GLU N N 15 119.910 0.400 . 1 . . . . 85 GLU N . 7314 1 527 . 1 1 86 86 LYS H H 1 7.303 0.020 . 1 . . . . 86 LYS H . 7314 1 528 . 1 1 86 86 LYS CA C 13 54.616 0.400 . 1 . . . . 86 LYS CA . 7314 1 529 . 1 1 86 86 LYS CB C 13 36.571 0.400 . 1 . . . . 86 LYS CB . 7314 1 530 . 1 1 86 86 LYS N N 15 115.403 0.400 . 1 . . . . 86 LYS N . 7314 1 531 . 1 1 87 87 GLY H H 1 8.985 0.020 . 1 . . . . 87 GLY H . 7314 1 532 . 1 1 87 87 GLY CA C 13 43.668 0.400 . 1 . . . . 87 GLY CA . 7314 1 533 . 1 1 87 87 GLY N N 15 105.979 0.400 . 1 . . . . 87 GLY N . 7314 1 534 . 1 1 88 88 ALA H H 1 7.732 0.020 . 1 . . . . 88 ALA H . 7314 1 535 . 1 1 88 88 ALA HB1 H 1 1.202 0.020 . 1 . . . . 88 ALA HB . 7314 1 536 . 1 1 88 88 ALA HB2 H 1 1.202 0.020 . 1 . . . . 88 ALA HB . 7314 1 537 . 1 1 88 88 ALA HB3 H 1 1.202 0.020 . 1 . . . . 88 ALA HB . 7314 1 538 . 1 1 88 88 ALA CA C 13 52.329 0.400 . 1 . . . . 88 ALA CA . 7314 1 539 . 1 1 88 88 ALA CB C 13 19.323 0.400 . 1 . . . . 88 ALA CB . 7314 1 540 . 1 1 88 88 ALA N N 15 116.272 0.400 . 1 . . . . 88 ALA N . 7314 1 541 . 1 1 89 89 HIS H H 1 8.076 0.020 . 1 . . . . 89 HIS H . 7314 1 542 . 1 1 89 89 HIS HD2 H 1 7.170 0.020 . 1 . . . . 89 HIS HD2 . 7314 1 543 . 1 1 89 89 HIS HE1 H 1 8.087 0.020 . 1 . . . . 89 HIS HE1 . 7314 1 544 . 1 1 89 89 HIS CA C 13 58.042 0.400 . 1 . . . . 89 HIS CA . 7314 1 545 . 1 1 89 89 HIS CB C 13 27.972 0.400 . 1 . . . . 89 HIS CB . 7314 1 546 . 1 1 89 89 HIS CD2 C 13 123.656 0.400 . 1 . . . . 89 HIS CD2 . 7314 1 547 . 1 1 89 89 HIS CE1 C 13 132.326 0.400 . 1 . . . . 89 HIS CE1 . 7314 1 548 . 1 1 89 89 HIS N N 15 116.717 0.400 . 1 . . . . 89 HIS N . 7314 1 549 . 1 1 90 90 LYS H H 1 8.428 0.020 . 1 . . . . 90 LYS H . 7314 1 550 . 1 1 90 90 LYS CA C 13 53.602 0.400 . 1 . . . . 90 LYS CA . 7314 1 551 . 1 1 90 90 LYS CB C 13 33.022 0.400 . 1 . . . . 90 LYS CB . 7314 1 552 . 1 1 90 90 LYS N N 15 117.836 0.400 . 1 . . . . 90 LYS N . 7314 1 553 . 1 1 91 91 PRO CA C 13 64.554 0.400 . 1 . . . . 91 PRO CA . 7314 1 554 . 1 1 92 92 GLY H H 1 8.019 0.020 . 1 . . . . 92 GLY H . 7314 1 555 . 1 1 92 92 GLY CA C 13 46.601 0.400 . 1 . . . . 92 GLY CA . 7314 1 556 . 1 1 92 92 GLY N N 15 113.126 0.400 . 1 . . . . 92 GLY N . 7314 1 557 . 1 1 93 93 ARG H H 1 7.595 0.020 . 1 . . . . 93 ARG H . 7314 1 558 . 1 1 93 93 ARG CA C 13 57.044 0.400 . 1 . . . . 93 ARG CA . 7314 1 559 . 1 1 93 93 ARG CB C 13 29.519 0.400 . 1 . . . . 93 ARG CB . 7314 1 560 . 1 1 93 93 ARG N N 15 118.821 0.400 . 1 . . . . 93 ARG N . 7314 1 561 . 1 1 94 94 GLU H H 1 8.013 0.020 . 1 . . . . 94 GLU H . 7314 1 562 . 1 1 94 94 GLU CA C 13 54.397 0.400 . 1 . . . . 94 GLU CA . 7314 1 563 . 1 1 94 94 GLU CB C 13 31.885 0.400 . 1 . . . . 94 GLU CB . 7314 1 564 . 1 1 94 94 GLU N N 15 117.494 0.400 . 1 . . . . 94 GLU N . 7314 1 565 . 1 1 95 95 LYS CA C 13 54.687 0.400 . 1 . . . . 95 LYS CA . 7314 1 566 . 1 1 96 96 VAL H H 1 8.722 0.020 . 1 . . . . 96 VAL H . 7314 1 567 . 1 1 96 96 VAL HG11 H 1 0.871 0.020 . 2 . . . . 96 VAL HG1 . 7314 1 568 . 1 1 96 96 VAL HG12 H 1 0.871 0.020 . 2 . . . . 96 VAL HG1 . 7314 1 569 . 1 1 96 96 VAL HG13 H 1 0.871 0.020 . 2 . . . . 96 VAL HG1 . 7314 1 570 . 1 1 96 96 VAL HG21 H 1 0.814 0.020 . 2 . . . . 96 VAL HG2 . 7314 1 571 . 1 1 96 96 VAL HG22 H 1 0.814 0.020 . 2 . . . . 96 VAL HG2 . 7314 1 572 . 1 1 96 96 VAL HG23 H 1 0.814 0.020 . 2 . . . . 96 VAL HG2 . 7314 1 573 . 1 1 96 96 VAL CA C 13 61.276 0.400 . 1 . . . . 96 VAL CA . 7314 1 574 . 1 1 96 96 VAL CB C 13 32.795 0.400 . 1 . . . . 96 VAL CB . 7314 1 575 . 1 1 96 96 VAL CG1 C 13 22.210 0.400 . 1 . . . . 96 VAL CG1 . 7314 1 576 . 1 1 96 96 VAL CG2 C 13 19.122 0.400 . 1 . . . . 96 VAL CG2 . 7314 1 577 . 1 1 96 96 VAL N N 15 115.140 0.400 . 1 . . . . 96 VAL N . 7314 1 578 . 1 1 97 97 GLY H H 1 7.436 0.020 . 1 . . . . 97 GLY H . 7314 1 579 . 1 1 97 97 GLY CA C 13 45.079 0.400 . 1 . . . . 97 GLY CA . 7314 1 580 . 1 1 97 97 GLY N N 15 104.820 0.400 . 1 . . . . 97 GLY N . 7314 1 581 . 1 1 98 98 ARG H H 1 8.749 0.020 . 1 . . . . 98 ARG H . 7314 1 582 . 1 1 98 98 ARG CA C 13 54.836 0.400 . 1 . . . . 98 ARG CA . 7314 1 583 . 1 1 98 98 ARG CB C 13 33.432 0.400 . 1 . . . . 98 ARG CB . 7314 1 584 . 1 1 98 98 ARG N N 15 119.542 0.400 . 1 . . . . 98 ARG N . 7314 1 585 . 1 1 99 99 ILE H H 1 8.824 0.020 . 1 . . . . 99 ILE H . 7314 1 586 . 1 1 99 99 ILE HG21 H 1 0.709 0.020 . 1 . . . . 99 ILE HG2 . 7314 1 587 . 1 1 99 99 ILE HG22 H 1 0.709 0.020 . 1 . . . . 99 ILE HG2 . 7314 1 588 . 1 1 99 99 ILE HG23 H 1 0.709 0.020 . 1 . . . . 99 ILE HG2 . 7314 1 589 . 1 1 99 99 ILE HD11 H 1 0.576 0.020 . 1 . . . . 99 ILE HD1 . 7314 1 590 . 1 1 99 99 ILE HD12 H 1 0.576 0.020 . 1 . . . . 99 ILE HD1 . 7314 1 591 . 1 1 99 99 ILE HD13 H 1 0.576 0.020 . 1 . . . . 99 ILE HD1 . 7314 1 592 . 1 1 99 99 ILE CA C 13 59.155 0.400 . 1 . . . . 99 ILE CA . 7314 1 593 . 1 1 99 99 ILE CB C 13 41.530 0.400 . 1 . . . . 99 ILE CB . 7314 1 594 . 1 1 99 99 ILE CG2 C 13 17.488 0.400 . 1 . . . . 99 ILE CG2 . 7314 1 595 . 1 1 99 99 ILE CD1 C 13 14.682 0.400 . 1 . . . . 99 ILE CD1 . 7314 1 596 . 1 1 99 99 ILE N N 15 115.983 0.400 . 1 . . . . 99 ILE N . 7314 1 597 . 1 1 100 100 THR H H 1 8.963 0.020 . 1 . . . . 100 THR H . 7314 1 598 . 1 1 100 100 THR HG21 H 1 1.248 0.020 . 1 . . . . 100 THR HG2 . 7314 1 599 . 1 1 100 100 THR HG22 H 1 1.248 0.020 . 1 . . . . 100 THR HG2 . 7314 1 600 . 1 1 100 100 THR HG23 H 1 1.248 0.020 . 1 . . . . 100 THR HG2 . 7314 1 601 . 1 1 100 100 THR CA C 13 60.361 0.400 . 1 . . . . 100 THR CA . 7314 1 602 . 1 1 100 100 THR CB C 13 71.513 0.400 . 1 . . . . 100 THR CB . 7314 1 603 . 1 1 100 100 THR CG2 C 13 21.452 0.400 . 1 . . . . 100 THR CG2 . 7314 1 604 . 1 1 100 100 THR N N 15 112.656 0.400 . 1 . . . . 100 THR N . 7314 1 605 . 1 1 101 101 TRP H H 1 8.576 0.020 . 1 . . . . 101 TRP H . 7314 1 606 . 1 1 101 101 TRP HD1 H 1 7.270 0.020 . 1 . . . . 101 TRP HD1 . 7314 1 607 . 1 1 101 101 TRP HE1 H 1 10.517 0.020 . 1 . . . . 101 TRP HE1 . 7314 1 608 . 1 1 101 101 TRP HE3 H 1 7.341 0.020 . 1 . . . . 101 TRP HE3 . 7314 1 609 . 1 1 101 101 TRP HZ2 H 1 7.562 0.020 . 1 . . . . 101 TRP HZ2 . 7314 1 610 . 1 1 101 101 TRP HZ3 H 1 7.010 0.020 . 1 . . . . 101 TRP HZ3 . 7314 1 611 . 1 1 101 101 TRP HH2 H 1 7.073 0.020 . 1 . . . . 101 TRP HH2 . 7314 1 612 . 1 1 101 101 TRP CA C 13 59.851 0.400 . 1 . . . . 101 TRP CA . 7314 1 613 . 1 1 101 101 TRP CB C 13 29.428 0.400 . 1 . . . . 101 TRP CB . 7314 1 614 . 1 1 101 101 TRP CD1 C 13 127.434 0.400 . 1 . . . . 101 TRP CD1 . 7314 1 615 . 1 1 101 101 TRP CE3 C 13 123.475 0.400 . 1 . . . . 101 TRP CE3 . 7314 1 616 . 1 1 101 101 TRP CZ3 C 13 124.147 0.400 . 1 . . . . 101 TRP CZ3 . 7314 1 617 . 1 1 101 101 TRP CH2 C 13 125.839 0.400 . 1 . . . . 101 TRP CH2 . 7314 1 618 . 1 1 101 101 TRP N N 15 121.881 0.400 . 1 . . . . 101 TRP N . 7314 1 619 . 1 1 101 101 TRP NE1 N 15 129.521 0.400 . 1 . . . . 101 TRP NE1 . 7314 1 620 . 1 1 102 102 GLU H H 1 8.450 0.020 . 1 . . . . 102 GLU H . 7314 1 621 . 1 1 102 102 GLU HG2 H 1 2.392 0.020 . 1 . . . . 102 GLU HG2 . 7314 1 622 . 1 1 102 102 GLU HG3 H 1 2.392 0.020 . 1 . . . . 102 GLU HG3 . 7314 1 623 . 1 1 102 102 GLU CA C 13 60.701 0.400 . 1 . . . . 102 GLU CA . 7314 1 624 . 1 1 102 102 GLU CB C 13 28.655 0.400 . 1 . . . . 102 GLU CB . 7314 1 625 . 1 1 102 102 GLU CG C 13 37.394 0.400 . 1 . . . . 102 GLU CG . 7314 1 626 . 1 1 102 102 GLU N N 15 115.626 0.400 . 1 . . . . 102 GLU N . 7314 1 627 . 1 1 103 103 GLN H H 1 7.702 0.020 . 1 . . . . 103 GLN H . 7314 1 628 . 1 1 103 103 GLN CA C 13 59.358 0.400 . 1 . . . . 103 GLN CA . 7314 1 629 . 1 1 103 103 GLN CB C 13 29.064 0.400 . 1 . . . . 103 GLN CB . 7314 1 630 . 1 1 103 103 GLN N N 15 118.458 0.400 . 1 . . . . 103 GLN N . 7314 1 631 . 1 1 104 104 VAL H H 1 8.165 0.020 . 1 . . . . 104 VAL H . 7314 1 632 . 1 1 104 104 VAL HG11 H 1 0.918 0.020 . 2 . . . . 104 VAL HG1 . 7314 1 633 . 1 1 104 104 VAL HG12 H 1 0.918 0.020 . 2 . . . . 104 VAL HG1 . 7314 1 634 . 1 1 104 104 VAL HG13 H 1 0.918 0.020 . 2 . . . . 104 VAL HG1 . 7314 1 635 . 1 1 104 104 VAL HG21 H 1 0.509 0.020 . 2 . . . . 104 VAL HG2 . 7314 1 636 . 1 1 104 104 VAL HG22 H 1 0.509 0.020 . 2 . . . . 104 VAL HG2 . 7314 1 637 . 1 1 104 104 VAL HG23 H 1 0.509 0.020 . 2 . . . . 104 VAL HG2 . 7314 1 638 . 1 1 104 104 VAL CA C 13 67.278 0.400 . 1 . . . . 104 VAL CA . 7314 1 639 . 1 1 104 104 VAL CB C 13 29.564 0.400 . 1 . . . . 104 VAL CB . 7314 1 640 . 1 1 104 104 VAL CG1 C 13 24.493 0.400 . 1 . . . . 104 VAL CG1 . 7314 1 641 . 1 1 104 104 VAL CG2 C 13 23.208 0.400 . 1 . . . . 104 VAL CG2 . 7314 1 642 . 1 1 104 104 VAL N N 15 121.408 0.400 . 1 . . . . 104 VAL N . 7314 1 643 . 1 1 105 105 LEU H H 1 8.154 0.020 . 1 . . . . 105 LEU H . 7314 1 644 . 1 1 105 105 LEU HD11 H 1 0.794 0.020 . 2 . . . . 105 LEU HD1 . 7314 1 645 . 1 1 105 105 LEU HD12 H 1 0.794 0.020 . 2 . . . . 105 LEU HD1 . 7314 1 646 . 1 1 105 105 LEU HD13 H 1 0.794 0.020 . 2 . . . . 105 LEU HD1 . 7314 1 647 . 1 1 105 105 LEU HD21 H 1 0.506 0.020 . 2 . . . . 105 LEU HD2 . 7314 1 648 . 1 1 105 105 LEU HD22 H 1 0.506 0.020 . 2 . . . . 105 LEU HD2 . 7314 1 649 . 1 1 105 105 LEU HD23 H 1 0.506 0.020 . 2 . . . . 105 LEU HD2 . 7314 1 650 . 1 1 105 105 LEU CA C 13 58.015 0.400 . 1 . . . . 105 LEU CA . 7314 1 651 . 1 1 105 105 LEU CB C 13 41.439 0.400 . 1 . . . . 105 LEU CB . 7314 1 652 . 1 1 105 105 LEU CD1 C 13 25.882 0.400 . 1 . . . . 105 LEU CD1 . 7314 1 653 . 1 1 105 105 LEU CD2 C 13 23.139 0.400 . 1 . . . . 105 LEU CD2 . 7314 1 654 . 1 1 105 105 LEU N N 15 119.104 0.400 . 1 . . . . 105 LEU N . 7314 1 655 . 1 1 106 106 GLU H H 1 7.420 0.020 . 1 . . . . 106 GLU H . 7314 1 656 . 1 1 106 106 GLU HG2 H 1 2.316 0.020 . 1 . . . . 106 GLU HG2 . 7314 1 657 . 1 1 106 106 GLU HG3 H 1 2.316 0.020 . 1 . . . . 106 GLU HG3 . 7314 1 658 . 1 1 106 106 GLU CA C 13 59.248 0.400 . 1 . . . . 106 GLU CA . 7314 1 659 . 1 1 106 106 GLU CB C 13 28.791 0.400 . 1 . . . . 106 GLU CB . 7314 1 660 . 1 1 106 106 GLU CG C 13 36.156 0.400 . 1 . . . . 106 GLU CG . 7314 1 661 . 1 1 106 106 GLU N N 15 117.867 0.400 . 1 . . . . 106 GLU N . 7314 1 662 . 1 1 107 107 ILE H H 1 7.936 0.020 . 1 . . . . 107 ILE H . 7314 1 663 . 1 1 107 107 ILE HD11 H 1 0.559 0.020 . 1 . . . . 107 ILE HD1 . 7314 1 664 . 1 1 107 107 ILE HD12 H 1 0.559 0.020 . 1 . . . . 107 ILE HD1 . 7314 1 665 . 1 1 107 107 ILE HD13 H 1 0.559 0.020 . 1 . . . . 107 ILE HD1 . 7314 1 666 . 1 1 107 107 ILE CA C 13 65.552 0.400 . 1 . . . . 107 ILE CA . 7314 1 667 . 1 1 107 107 ILE CB C 13 37.663 0.400 . 1 . . . . 107 ILE CB . 7314 1 668 . 1 1 107 107 ILE CG2 C 13 17.521 0.400 . 1 . . . . 107 ILE CG2 . 7314 1 669 . 1 1 107 107 ILE CD1 C 13 13.996 0.400 . 1 . . . . 107 ILE CD1 . 7314 1 670 . 1 1 107 107 ILE N N 15 121.603 0.400 . 1 . . . . 107 ILE N . 7314 1 671 . 1 1 108 108 ALA H H 1 8.706 0.020 . 1 . . . . 108 ALA H . 7314 1 672 . 1 1 108 108 ALA HB1 H 1 1.261 0.020 . 1 . . . . 108 ALA HB . 7314 1 673 . 1 1 108 108 ALA HB2 H 1 1.261 0.020 . 1 . . . . 108 ALA HB . 7314 1 674 . 1 1 108 108 ALA HB3 H 1 1.261 0.020 . 1 . . . . 108 ALA HB . 7314 1 675 . 1 1 108 108 ALA CA C 13 55.548 0.400 . 1 . . . . 108 ALA CA . 7314 1 676 . 1 1 108 108 ALA CB C 13 16.995 0.400 . 1 . . . . 108 ALA CB . 7314 1 677 . 1 1 108 108 ALA N N 15 121.872 0.400 . 1 . . . . 108 ALA N . 7314 1 678 . 1 1 109 109 LYS H H 1 7.964 0.020 . 1 . . . . 109 LYS H . 7314 1 679 . 1 1 109 109 LYS CA C 13 59.933 0.400 . 1 . . . . 109 LYS CA . 7314 1 680 . 1 1 109 109 LYS CB C 13 32.203 0.400 . 1 . . . . 109 LYS CB . 7314 1 681 . 1 1 109 109 LYS N N 15 114.641 0.400 . 1 . . . . 109 LYS N . 7314 1 682 . 1 1 110 110 GLN H H 1 7.589 0.020 . 1 . . . . 110 GLN H . 7314 1 683 . 1 1 110 110 GLN HG2 H 1 2.365 0.020 . 2 . . . . 110 GLN HG2 . 7314 1 684 . 1 1 110 110 GLN HG3 H 1 2.603 0.020 . 2 . . . . 110 GLN HG3 . 7314 1 685 . 1 1 110 110 GLN CA C 13 58.481 0.400 . 1 . . . . 110 GLN CA . 7314 1 686 . 1 1 110 110 GLN CB C 13 28.382 0.400 . 1 . . . . 110 GLN CB . 7314 1 687 . 1 1 110 110 GLN CG C 13 33.984 0.400 . 1 . . . . 110 GLN CG . 7314 1 688 . 1 1 110 110 GLN N N 15 117.491 0.400 . 1 . . . . 110 GLN N . 7314 1 689 . 1 1 111 111 LYS H H 1 7.920 0.020 . 1 . . . . 111 LYS H . 7314 1 690 . 1 1 111 111 LYS CA C 13 55.235 0.400 . 1 . . . . 111 LYS CA . 7314 1 691 . 1 1 111 111 LYS CB C 13 30.520 0.400 . 1 . . . . 111 LYS CB . 7314 1 692 . 1 1 111 111 LYS N N 15 113.823 0.400 . 1 . . . . 111 LYS N . 7314 1 693 . 1 1 112 112 MET H H 1 7.422 0.020 . 1 . . . . 112 MET H . 7314 1 694 . 1 1 112 112 MET CA C 13 59.988 0.400 . 1 . . . . 112 MET CA . 7314 1 695 . 1 1 112 112 MET CB C 13 30.065 0.400 . 1 . . . . 112 MET CB . 7314 1 696 . 1 1 112 112 MET N N 15 118.643 0.400 . 1 . . . . 112 MET N . 7314 1 697 . 1 1 113 113 PRO CA C 13 66.309 0.400 . 1 . . . . 113 PRO CA . 7314 1 698 . 1 1 114 114 ASP H H 1 8.323 0.020 . 1 . . . . 114 ASP H . 7314 1 699 . 1 1 114 114 ASP CA C 13 54.193 0.400 . 1 . . . . 114 ASP CA . 7314 1 700 . 1 1 114 114 ASP CB C 13 42.440 0.400 . 1 . . . . 114 ASP CB . 7314 1 701 . 1 1 114 114 ASP N N 15 113.693 0.400 . 1 . . . . 114 ASP N . 7314 1 702 . 1 1 115 115 LEU H H 1 7.784 0.020 . 1 . . . . 115 LEU H . 7314 1 703 . 1 1 115 115 LEU HD11 H 1 0.972 0.020 . 2 . . . . 115 LEU HD1 . 7314 1 704 . 1 1 115 115 LEU HD12 H 1 0.972 0.020 . 2 . . . . 115 LEU HD1 . 7314 1 705 . 1 1 115 115 LEU HD13 H 1 0.972 0.020 . 2 . . . . 115 LEU HD1 . 7314 1 706 . 1 1 115 115 LEU CA C 13 53.383 0.400 . 1 . . . . 115 LEU CA . 7314 1 707 . 1 1 115 115 LEU CB C 13 42.850 0.400 . 1 . . . . 115 LEU CB . 7314 1 708 . 1 1 115 115 LEU N N 15 117.115 0.400 . 1 . . . . 115 LEU N . 7314 1 709 . 1 1 116 116 ASN H H 1 7.637 0.020 . 1 . . . . 116 ASN H . 7314 1 710 . 1 1 116 116 ASN CA C 13 52.110 0.400 . 1 . . . . 116 ASN CA . 7314 1 711 . 1 1 116 116 ASN CB C 13 37.390 0.400 . 1 . . . . 116 ASN CB . 7314 1 712 . 1 1 116 116 ASN N N 15 116.240 0.400 . 1 . . . . 116 ASN N . 7314 1 713 . 1 1 117 117 THR H H 1 6.759 0.020 . 1 . . . . 117 THR H . 7314 1 714 . 1 1 117 117 THR HG21 H 1 0.972 0.020 . 1 . . . . 117 THR HG2 . 7314 1 715 . 1 1 117 117 THR HG22 H 1 0.972 0.020 . 1 . . . . 117 THR HG2 . 7314 1 716 . 1 1 117 117 THR HG23 H 1 0.972 0.020 . 1 . . . . 117 THR HG2 . 7314 1 717 . 1 1 117 117 THR CA C 13 58.810 0.400 . 1 . . . . 117 THR CA . 7314 1 718 . 1 1 117 117 THR CB C 13 69.147 0.400 . 1 . . . . 117 THR CB . 7314 1 719 . 1 1 117 117 THR CG2 C 13 19.246 0.400 . 1 . . . . 117 THR CG2 . 7314 1 720 . 1 1 117 117 THR N N 15 109.841 0.400 . 1 . . . . 117 THR N . 7314 1 721 . 1 1 118 118 THR H H 1 8.167 0.020 . 1 . . . . 118 THR H . 7314 1 722 . 1 1 118 118 THR HG21 H 1 1.092 0.020 . 1 . . . . 118 THR HG2 . 7314 1 723 . 1 1 118 118 THR HG22 H 1 1.092 0.020 . 1 . . . . 118 THR HG2 . 7314 1 724 . 1 1 118 118 THR HG23 H 1 1.092 0.020 . 1 . . . . 118 THR HG2 . 7314 1 725 . 1 1 118 118 THR CA C 13 61.303 0.400 . 1 . . . . 118 THR CA . 7314 1 726 . 1 1 118 118 THR CB C 13 69.193 0.400 . 1 . . . . 118 THR CB . 7314 1 727 . 1 1 118 118 THR CG2 C 13 21.474 0.400 . 1 . . . . 118 THR CG2 . 7314 1 728 . 1 1 118 118 THR N N 15 113.731 0.400 . 1 . . . . 118 THR N . 7314 1 729 . 1 1 119 119 ASP H H 1 8.606 0.020 . 1 . . . . 119 ASP H . 7314 1 730 . 1 1 119 119 ASP CA C 13 53.481 0.400 . 1 . . . . 119 ASP CA . 7314 1 731 . 1 1 119 119 ASP CB C 13 42.668 0.400 . 1 . . . . 119 ASP CB . 7314 1 732 . 1 1 119 119 ASP N N 15 126.589 0.400 . 1 . . . . 119 ASP N . 7314 1 733 . 1 1 120 120 LEU H H 1 8.645 0.020 . 1 . . . . 120 LEU H . 7314 1 734 . 1 1 120 120 LEU HD11 H 1 0.937 0.020 . 2 . . . . 120 LEU HD1 . 7314 1 735 . 1 1 120 120 LEU HD12 H 1 0.937 0.020 . 2 . . . . 120 LEU HD1 . 7314 1 736 . 1 1 120 120 LEU HD13 H 1 0.937 0.020 . 2 . . . . 120 LEU HD1 . 7314 1 737 . 1 1 120 120 LEU HD21 H 1 0.938 0.020 . 2 . . . . 120 LEU HD2 . 7314 1 738 . 1 1 120 120 LEU HD22 H 1 0.938 0.020 . 2 . . . . 120 LEU HD2 . 7314 1 739 . 1 1 120 120 LEU HD23 H 1 0.938 0.020 . 2 . . . . 120 LEU HD2 . 7314 1 740 . 1 1 120 120 LEU CA C 13 58.316 0.400 . 1 . . . . 120 LEU CA . 7314 1 741 . 1 1 120 120 LEU CB C 13 41.073 0.400 . 1 . . . . 120 LEU CB . 7314 1 742 . 1 1 120 120 LEU CD1 C 13 25.761 0.400 . 1 . . . . 120 LEU CD1 . 7314 1 743 . 1 1 120 120 LEU CD2 C 13 23.652 0.400 . 1 . . . . 120 LEU CD2 . 7314 1 744 . 1 1 120 120 LEU N N 15 128.328 0.400 . 1 . . . . 120 LEU N . 7314 1 745 . 1 1 121 121 GLU H H 1 7.970 0.020 . 1 . . . . 121 GLU H . 7314 1 746 . 1 1 121 121 GLU HG2 H 1 2.392 0.020 . 1 . . . . 121 GLU HG2 . 7314 1 747 . 1 1 121 121 GLU HG3 H 1 2.392 0.020 . 1 . . . . 121 GLU HG3 . 7314 1 748 . 1 1 121 121 GLU CA C 13 60.087 0.400 . 1 . . . . 121 GLU CA . 7314 1 749 . 1 1 121 121 GLU CB C 13 28.336 0.400 . 1 . . . . 121 GLU CB . 7314 1 750 . 1 1 121 121 GLU CG C 13 37.466 0.400 . 1 . . . . 121 GLU CG . 7314 1 751 . 1 1 121 121 GLU N N 15 116.383 0.400 . 1 . . . . 121 GLU N . 7314 1 752 . 1 1 122 122 ALA H H 1 7.826 0.020 . 1 . . . . 122 ALA H . 7314 1 753 . 1 1 122 122 ALA HB1 H 1 1.596 0.020 . 1 . . . . 122 ALA HB . 7314 1 754 . 1 1 122 122 ALA HB2 H 1 1.596 0.020 . 1 . . . . 122 ALA HB . 7314 1 755 . 1 1 122 122 ALA HB3 H 1 1.596 0.020 . 1 . . . . 122 ALA HB . 7314 1 756 . 1 1 122 122 ALA CA C 13 55.192 0.400 . 1 . . . . 122 ALA CA . 7314 1 757 . 1 1 122 122 ALA CB C 13 18.431 0.400 . 1 . . . . 122 ALA CB . 7314 1 758 . 1 1 122 122 ALA N N 15 123.149 0.400 . 1 . . . . 122 ALA N . 7314 1 759 . 1 1 123 123 ALA H H 1 8.607 0.020 . 1 . . . . 123 ALA H . 7314 1 760 . 1 1 123 123 ALA HB1 H 1 1.627 0.020 . 1 . . . . 123 ALA HB . 7314 1 761 . 1 1 123 123 ALA HB2 H 1 1.627 0.020 . 1 . . . . 123 ALA HB . 7314 1 762 . 1 1 123 123 ALA HB3 H 1 1.627 0.020 . 1 . . . . 123 ALA HB . 7314 1 763 . 1 1 123 123 ALA CA C 13 54.973 0.400 . 1 . . . . 123 ALA CA . 7314 1 764 . 1 1 123 123 ALA CB C 13 18.918 0.400 . 1 . . . . 123 ALA CB . 7314 1 765 . 1 1 123 123 ALA N N 15 121.168 0.400 . 1 . . . . 123 ALA N . 7314 1 766 . 1 1 124 124 ALA H H 1 8.289 0.020 . 1 . . . . 124 ALA H . 7314 1 767 . 1 1 124 124 ALA HB1 H 1 1.125 0.020 . 1 . . . . 124 ALA HB . 7314 1 768 . 1 1 124 124 ALA HB2 H 1 1.125 0.020 . 1 . . . . 124 ALA HB . 7314 1 769 . 1 1 124 124 ALA HB3 H 1 1.125 0.020 . 1 . . . . 124 ALA HB . 7314 1 770 . 1 1 124 124 ALA CA C 13 55.109 0.400 . 1 . . . . 124 ALA CA . 7314 1 771 . 1 1 124 124 ALA CB C 13 19.874 0.400 . 1 . . . . 124 ALA CB . 7314 1 772 . 1 1 124 124 ALA N N 15 119.534 0.400 . 1 . . . . 124 ALA N . 7314 1 773 . 1 1 125 125 ARG H H 1 8.161 0.020 . 1 . . . . 125 ARG H . 7314 1 774 . 1 1 125 125 ARG CA C 13 61.359 0.400 . 1 . . . . 125 ARG CA . 7314 1 775 . 1 1 125 125 ARG CB C 13 30.565 0.400 . 1 . . . . 125 ARG CB . 7314 1 776 . 1 1 125 125 ARG N N 15 116.919 0.400 . 1 . . . . 125 ARG N . 7314 1 777 . 1 1 126 126 MET H H 1 7.758 0.020 . 1 . . . . 126 MET H . 7314 1 778 . 1 1 126 126 MET CA C 13 61.331 0.400 . 1 . . . . 126 MET CA . 7314 1 779 . 1 1 126 126 MET CB C 13 33.705 0.400 . 1 . . . . 126 MET CB . 7314 1 780 . 1 1 126 126 MET N N 15 121.299 0.400 . 1 . . . . 126 MET N . 7314 1 781 . 1 1 127 127 ILE H H 1 8.118 0.020 . 1 . . . . 127 ILE H . 7314 1 782 . 1 1 127 127 ILE HG21 H 1 0.855 0.020 . 1 . . . . 127 ILE HG2 . 7314 1 783 . 1 1 127 127 ILE HG22 H 1 0.855 0.020 . 1 . . . . 127 ILE HG2 . 7314 1 784 . 1 1 127 127 ILE HG23 H 1 0.855 0.020 . 1 . . . . 127 ILE HG2 . 7314 1 785 . 1 1 127 127 ILE HD11 H 1 0.813 0.020 . 1 . . . . 127 ILE HD1 . 7314 1 786 . 1 1 127 127 ILE HD12 H 1 0.813 0.020 . 1 . . . . 127 ILE HD1 . 7314 1 787 . 1 1 127 127 ILE HD13 H 1 0.813 0.020 . 1 . . . . 127 ILE HD1 . 7314 1 788 . 1 1 127 127 ILE CA C 13 62.060 0.400 . 1 . . . . 127 ILE CA . 7314 1 789 . 1 1 127 127 ILE CG2 C 13 21.924 0.400 . 1 . . . . 127 ILE CG2 . 7314 1 790 . 1 1 127 127 ILE CD1 C 13 7.704 0.400 . 1 . . . . 127 ILE CD1 . 7314 1 791 . 1 1 127 127 ILE N N 15 120.522 0.400 . 1 . . . . 127 ILE N . 7314 1 792 . 1 1 128 128 ALA H H 1 9.137 0.020 . 1 . . . . 128 ALA H . 7314 1 793 . 1 1 128 128 ALA HB1 H 1 1.810 0.020 . 1 . . . . 128 ALA HB . 7314 1 794 . 1 1 128 128 ALA HB2 H 1 1.810 0.020 . 1 . . . . 128 ALA HB . 7314 1 795 . 1 1 128 128 ALA HB3 H 1 1.810 0.020 . 1 . . . . 128 ALA HB . 7314 1 796 . 1 1 128 128 ALA CA C 13 55.274 0.400 . 1 . . . . 128 ALA CA . 7314 1 797 . 1 1 128 128 ALA CB C 13 17.677 0.400 . 1 . . . . 128 ALA CB . 7314 1 798 . 1 1 128 128 ALA N N 15 122.627 0.400 . 1 . . . . 128 ALA N . 7314 1 799 . 1 1 129 129 GLY H H 1 8.184 0.020 . 1 . . . . 129 GLY H . 7314 1 800 . 1 1 129 129 GLY CA C 13 47.518 0.400 . 1 . . . . 129 GLY CA . 7314 1 801 . 1 1 129 129 GLY N N 15 110.112 0.400 . 1 . . . . 129 GLY N . 7314 1 802 . 1 1 130 130 SER H H 1 8.527 0.020 . 1 . . . . 130 SER H . 7314 1 803 . 1 1 130 130 SER CA C 13 63.184 0.400 . 1 . . . . 130 SER CA . 7314 1 804 . 1 1 130 130 SER N N 15 122.776 0.400 . 1 . . . . 130 SER N . 7314 1 805 . 1 1 131 131 ALA H H 1 8.846 0.020 . 1 . . . . 131 ALA H . 7314 1 806 . 1 1 131 131 ALA HB1 H 1 1.443 0.020 . 1 . . . . 131 ALA HB . 7314 1 807 . 1 1 131 131 ALA HB2 H 1 1.443 0.020 . 1 . . . . 131 ALA HB . 7314 1 808 . 1 1 131 131 ALA HB3 H 1 1.443 0.020 . 1 . . . . 131 ALA HB . 7314 1 809 . 1 1 131 131 ALA CA C 13 56.398 0.400 . 1 . . . . 131 ALA CA . 7314 1 810 . 1 1 131 131 ALA CB C 13 15.662 0.400 . 1 . . . . 131 ALA CB . 7314 1 811 . 1 1 131 131 ALA N N 15 127.470 0.400 . 1 . . . . 131 ALA N . 7314 1 812 . 1 1 132 132 ARG H H 1 8.137 0.020 . 1 . . . . 132 ARG H . 7314 1 813 . 1 1 132 132 ARG CA C 13 59.796 0.400 . 1 . . . . 132 ARG CA . 7314 1 814 . 1 1 132 132 ARG CB C 13 29.564 0.400 . 1 . . . . 132 ARG CB . 7314 1 815 . 1 1 132 132 ARG N N 15 119.558 0.400 . 1 . . . . 132 ARG N . 7314 1 816 . 1 1 133 133 SER H H 1 7.528 0.020 . 1 . . . . 133 SER H . 7314 1 817 . 1 1 133 133 SER CA C 13 61.249 0.400 . 1 . . . . 133 SER CA . 7314 1 818 . 1 1 133 133 SER CB C 13 64.461 0.400 . 1 . . . . 133 SER CB . 7314 1 819 . 1 1 133 133 SER N N 15 115.835 0.400 . 1 . . . . 133 SER N . 7314 1 820 . 1 1 134 134 MET H H 1 7.242 0.020 . 1 . . . . 134 MET H . 7314 1 821 . 1 1 134 134 MET CA C 13 54.370 0.400 . 1 . . . . 134 MET CA . 7314 1 822 . 1 1 134 134 MET CB C 13 36.116 0.400 . 1 . . . . 134 MET CB . 7314 1 823 . 1 1 134 134 MET N N 15 113.537 0.400 . 1 . . . . 134 MET N . 7314 1 824 . 1 1 135 135 GLY H H 1 7.912 0.020 . 1 . . . . 135 GLY H . 7314 1 825 . 1 1 135 135 GLY CA C 13 46.518 0.400 . 1 . . . . 135 GLY CA . 7314 1 826 . 1 1 135 135 GLY N N 15 106.308 0.400 . 1 . . . . 135 GLY N . 7314 1 827 . 1 1 136 136 VAL H H 1 7.799 0.020 . 1 . . . . 136 VAL H . 7314 1 828 . 1 1 136 136 VAL HG11 H 1 0.558 0.020 . 2 . . . . 136 VAL HG1 . 7314 1 829 . 1 1 136 136 VAL HG12 H 1 0.558 0.020 . 2 . . . . 136 VAL HG1 . 7314 1 830 . 1 1 136 136 VAL HG13 H 1 0.558 0.020 . 2 . . . . 136 VAL HG1 . 7314 1 831 . 1 1 136 136 VAL CA C 13 61.194 0.400 . 1 . . . . 136 VAL CA . 7314 1 832 . 1 1 136 136 VAL CB C 13 32.019 0.400 . 1 . . . . 136 VAL CB . 7314 1 833 . 1 1 136 136 VAL CG1 C 13 22.561 0.400 . 1 . . . . 136 VAL CG1 . 7314 1 834 . 1 1 136 136 VAL N N 15 120.185 0.400 . 1 . . . . 136 VAL N . 7314 1 835 . 1 1 137 137 GLU H H 1 8.351 0.020 . 1 . . . . 137 GLU H . 7314 1 836 . 1 1 137 137 GLU HG2 H 1 2.206 0.020 . 1 . . . . 137 GLU HG2 . 7314 1 837 . 1 1 137 137 GLU HG3 H 1 2.206 0.020 . 1 . . . . 137 GLU HG3 . 7314 1 838 . 1 1 137 137 GLU CA C 13 56.042 0.400 . 1 . . . . 137 GLU CA . 7314 1 839 . 1 1 137 137 GLU CB C 13 31.154 0.400 . 1 . . . . 137 GLU CB . 7314 1 840 . 1 1 137 137 GLU CG C 13 36.811 0.400 . 1 . . . . 137 GLU CG . 7314 1 841 . 1 1 137 137 GLU N N 15 128.252 0.400 . 1 . . . . 137 GLU N . 7314 1 842 . 1 1 138 138 VAL H H 1 8.317 0.020 . 1 . . . . 138 VAL H . 7314 1 843 . 1 1 138 138 VAL HG11 H 1 0.920 0.020 . 2 . . . . 138 VAL HG1 . 7314 1 844 . 1 1 138 138 VAL HG12 H 1 0.920 0.020 . 2 . . . . 138 VAL HG1 . 7314 1 845 . 1 1 138 138 VAL HG13 H 1 0.920 0.020 . 2 . . . . 138 VAL HG1 . 7314 1 846 . 1 1 138 138 VAL CA C 13 61.084 0.400 . 1 . . . . 138 VAL CA . 7314 1 847 . 1 1 138 138 VAL CB C 13 32.158 0.400 . 1 . . . . 138 VAL CB . 7314 1 848 . 1 1 138 138 VAL CG1 C 13 21.261 0.400 . 1 . . . . 138 VAL CG1 . 7314 1 849 . 1 1 138 138 VAL N N 15 124.679 0.400 . 1 . . . . 138 VAL N . 7314 1 850 . 1 1 139 139 VAL H H 1 8.999 0.020 . 1 . . . . 139 VAL H . 7314 1 851 . 1 1 139 139 VAL HG11 H 1 0.870 0.020 . 2 . . . . 139 VAL HG1 . 7314 1 852 . 1 1 139 139 VAL HG12 H 1 0.870 0.020 . 2 . . . . 139 VAL HG1 . 7314 1 853 . 1 1 139 139 VAL HG13 H 1 0.870 0.020 . 2 . . . . 139 VAL HG1 . 7314 1 854 . 1 1 139 139 VAL CA C 13 60.947 0.400 . 1 . . . . 139 VAL CA . 7314 1 855 . 1 1 139 139 VAL CB C 13 33.477 0.400 . 1 . . . . 139 VAL CB . 7314 1 856 . 1 1 139 139 VAL CG1 C 13 19.922 0.400 . 1 . . . . 139 VAL CG1 . 7314 1 857 . 1 1 139 139 VAL N N 15 126.011 0.400 . 1 . . . . 139 VAL N . 7314 1 858 . 1 1 140 140 GLY H H 1 8.674 0.020 . 1 . . . . 140 GLY H . 7314 1 859 . 1 1 140 140 GLY CA C 13 45.243 0.400 . 1 . . . . 140 GLY CA . 7314 1 860 . 1 1 140 140 GLY N N 15 111.840 0.400 . 1 . . . . 140 GLY N . 7314 1 861 . 1 1 141 141 ALA H H 1 7.937 0.020 . 1 . . . . 141 ALA H . 7314 1 862 . 1 1 141 141 ALA CA C 13 50.341 0.400 . 1 . . . . 141 ALA CA . 7314 1 863 . 1 1 141 141 ALA CB C 13 17.187 0.400 . 1 . . . . 141 ALA CB . 7314 1 864 . 1 1 141 141 ALA N N 15 123.010 0.400 . 1 . . . . 141 ALA N . 7314 1 865 . 1 1 142 142 PRO CA C 13 62.937 0.400 . 1 . . . . 142 PRO CA . 7314 1 866 . 1 1 143 143 GLU H H 1 8.198 0.020 . 1 . . . . 143 GLU H . 7314 1 867 . 1 1 143 143 GLU HG2 H 1 2.174 0.020 . 1 . . . . 143 GLU HG2 . 7314 1 868 . 1 1 143 143 GLU HG3 H 1 2.174 0.020 . 1 . . . . 143 GLU HG3 . 7314 1 869 . 1 1 143 143 GLU CA C 13 56.042 0.400 . 1 . . . . 143 GLU CA . 7314 1 870 . 1 1 143 143 GLU CB C 13 29.880 0.400 . 1 . . . . 143 GLU CB . 7314 1 871 . 1 1 143 143 GLU CG C 13 36.229 0.400 . 1 . . . . 143 GLU CG . 7314 1 872 . 1 1 143 143 GLU N N 15 121.239 0.400 . 1 . . . . 143 GLU N . 7314 1 873 . 1 1 144 144 VAL H H 1 8.103 0.020 . 1 . . . . 144 VAL H . 7314 1 874 . 1 1 144 144 VAL HG11 H 1 0.903 0.020 . 2 . . . . 144 VAL HG1 . 7314 1 875 . 1 1 144 144 VAL HG12 H 1 0.903 0.020 . 2 . . . . 144 VAL HG1 . 7314 1 876 . 1 1 144 144 VAL HG13 H 1 0.903 0.020 . 2 . . . . 144 VAL HG1 . 7314 1 877 . 1 1 144 144 VAL CA C 13 62.208 0.400 . 1 . . . . 144 VAL CA . 7314 1 878 . 1 1 144 144 VAL CB C 13 32.155 0.400 . 1 . . . . 144 VAL CB . 7314 1 879 . 1 1 144 144 VAL CG1 C 13 20.720 0.400 . 1 . . . . 144 VAL CG1 . 7314 1 880 . 1 1 144 144 VAL N N 15 121.791 0.400 . 1 . . . . 144 VAL N . 7314 1 881 . 1 1 145 145 LYS H H 1 8.254 0.020 . 1 . . . . 145 LYS H . 7314 1 882 . 1 1 145 145 LYS CA C 13 55.850 0.400 . 1 . . . . 145 LYS CA . 7314 1 883 . 1 1 145 145 LYS CB C 13 32.658 0.400 . 1 . . . . 145 LYS CB . 7314 1 884 . 1 1 145 145 LYS N N 15 125.089 0.400 . 1 . . . . 145 LYS N . 7314 1 885 . 1 1 146 146 ASP H H 1 8.244 0.020 . 1 . . . . 146 ASP H . 7314 1 886 . 1 1 146 146 ASP CA C 13 54.397 0.400 . 1 . . . . 146 ASP CA . 7314 1 887 . 1 1 146 146 ASP CB C 13 40.802 0.400 . 1 . . . . 146 ASP CB . 7314 1 888 . 1 1 146 146 ASP N N 15 121.860 0.400 . 1 . . . . 146 ASP N . 7314 1 889 . 1 1 147 147 ALA H H 1 7.694 0.020 . 1 . . . . 147 ALA H . 7314 1 890 . 1 1 147 147 ALA CA C 13 53.685 0.400 . 1 . . . . 147 ALA CA . 7314 1 891 . 1 1 147 147 ALA CB C 13 19.916 0.400 . 1 . . . . 147 ALA CB . 7314 1 892 . 1 1 147 147 ALA N N 15 128.856 0.400 . 1 . . . . 147 ALA N . 7314 1 stop_ save_