data_18267 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18267 _Entry.Title ; Substrate-dependent millisecond domain motions in DNA polymerase beta ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-02-15 _Entry.Accession_date 2012-02-15 _Entry.Last_release_date 2015-09-23 _Entry.Original_release_date 2015-09-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'DNA Polymerase beta' _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 Patrick Loria . . . 18267 2 Monalisa Swain . . . 18267 3 Rebecca Berlowy . B. . 18267 4 Joann Sweasy . B. . 18267 5 Shibani Dalal . . . 18267 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Chemistry, Yale University' . 18267 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18267 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 802 18267 '15N chemical shifts' 260 18267 '1H chemical shifts' 260 18267 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 3 . . 2015-09-22 2012-02-15 update author 'update entry citation' 18267 2 . . 2012-05-10 2012-02-15 update BMRB 'update entry citation' 18267 1 . . 2012-03-27 2012-02-15 original author 'original release' 18267 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4326 'N-Terminal Domain of DNA Polymerase B' 18267 BMRB 5208 'Palm-Thumb Domain of DNA Polymerase B' 18267 BMRB 7319 'Polymerase Beta and Double gap double hairpin DNA' 18267 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18267 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22446382 _Citation.Full_citation . _Citation.Title ; Substrate-Dependent Millisecond Domain Motions in DNA Polymerase . ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 419 _Citation.Journal_issue 3-4 _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 171 _Citation.Page_last 182 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Rebecca Berlow . B. . 18267 1 2 Monalisa Swain . . . 18267 1 3 Shibani Dalal . . . 18267 1 4 Joann Sweasy . B. . 18267 1 5 'J. Patrick' Loria . . . 18267 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Conformational change' 18267 1 'DNA Polymerase beta' 18267 1 'Enzyme motions' 18267 1 'Protein dynamics' 18267 1 'Relaxation dispersion' 18267 1 'Solution NMR' 18267 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18267 _Assembly.ID 1 _Assembly.Name 'DNA Polymerase beta uncomplexed' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 39000 _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 'DNA polymerase beta' 1 $DNA_Polymerase_beta A . yes native no no . . . 18267 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1BPD . . X-ray . . . 18267 1 yes PDB 1BPX . . X-ray . . . 18267 1 yes PDB 1BPY . . X-ray . . . 18267 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DNA_Polymerase_beta _Entity.Sf_category entity _Entity.Sf_framecode DNA_Polymerase_beta _Entity.Entry_ID 18267 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DNA_Polymerase_beta_polypeptide _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 ; MSKRKAPQETLNGGITDMLV ELANFEKNVSQAIHKYNAYR KAASVIAKYPHKIKSGAEAK KLPGVGTKIAEKIDEFLATG KLRKLEKIRQDDTSSSINFL TRVTGIGPSAARKLVDEGIK TLEDLRKNEDKLNHHQRIGL KYFEDFEKRIPREEMLQMQD IVLNEVKKLDPEYIATVCGS FRRGAESSGDMDVLLTHPNF TSESSKQPKLLHRVVEQLQK VRFITDTLSKGETKFMGVCQ LPSENDENEYPHRRIDIRLI PKDQYYCGVLYFTGSDIFNK NMRAHALEKGFTINEYTIRP LGVTGVAGEPLPVDSEQDIF DYIQWRYREPKDRSE ; _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 335 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1BPB . "Crystal Structure Of Rat Dna Polymerase Beta: Evidence For A Common Polymerase Mechanism" . . . . . 74.03 248 100.00 100.00 0.00e+00 . . . . 18267 1 2 no PDB 1BPD . "Crystal Structure Of Rat Dna Polymerase Beta: Evidence For A Common Polymerase Mechanism" . . . . . 100.00 335 100.00 100.00 0.00e+00 . . . . 18267 1 3 no PDB 1BPE . "Crystal Structure Of Rat Dna Polymerase Beta; Evidence For A Common Polymerase Mechanism" . . . . . 100.00 335 99.70 100.00 0.00e+00 . . . . 18267 1 4 no PDB 1HUO . "Crystal Structure Of Dna Polymerase Beta Complexed With Dna And Cr-Tmppcp" . . . . . 100.00 335 100.00 100.00 0.00e+00 . . . . 18267 1 5 no PDB 1HUZ . "Crystal Structure Of Dna Polymerase Complexed With Dna And Cr-Pcp" . . . . . 100.00 335 100.00 100.00 0.00e+00 . . . . 18267 1 6 no PDB 1JN3 . "Fidelity Properties And Structure Of M282l Mutator Mutant Of Dna Polymerase: Subtle Structural Changes Influence The Mechanism " . . . . . 74.93 251 99.60 100.00 0.00e+00 . . . . 18267 1 7 no PDB 1NOM . "Dna Polymerase Beta (pol B) (e.c.2.7.7.7), 31-kd Domain; Soaked In The Presence Of Mncl2 (5 Millimolar)" . . . . . 74.03 248 100.00 100.00 0.00e+00 . . . . 18267 1 8 no PDB 1RPL . "2.3 Angstroms Crystal Structure Of The Catalytic Domain Of Dna Polymerase Beta" . . . . . 74.93 251 100.00 100.00 0.00e+00 . . . . 18267 1 9 no PDB 1ZQU . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7), 31-Kd Domain; Soaked In The Presence Of Artificial Mother Liquor" . . . . . 74.03 248 100.00 100.00 0.00e+00 . . . . 18267 1 10 no PDB 1ZQV . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7), 31-Kd Domain; Soaked In The Presence Of Cacl2 (150 Millimolar)" . . . . . 74.03 248 100.00 100.00 0.00e+00 . . . . 18267 1 11 no PDB 1ZQW . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7), 31-Kd Domain; Soaked In The Presence Of Cscl (150 Millimolar)" . . . . . 74.03 248 100.00 100.00 0.00e+00 . . . . 18267 1 12 no PDB 1ZQX . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7), 31-Kd Domain; Soaked In The Presence Of Kcl (150 Millimolar)" . . . . . 74.03 248 100.00 100.00 0.00e+00 . . . . 18267 1 13 no PDB 1ZQY . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7), 31-Kd Domain; Soaked In The Presence Of Mgcl2 (50 Millimolar)" . . . . . 74.03 248 100.00 100.00 0.00e+00 . . . . 18267 1 14 no PDB 1ZQZ . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7), 31-Kd Domain; Soaked In The Presence Of Mncl2 (50 Millimolar)" . . . . . 74.03 248 100.00 100.00 0.00e+00 . . . . 18267 1 15 no PDB 2BPC . "Crystal Structure Of Rat Dna Polymerase Beta: Evidence For A Common Polymerase Mechanism" . . . . . 74.03 248 100.00 100.00 0.00e+00 . . . . 18267 1 16 no PDB 2BPF . "Structures Of Ternary Complexes Of Rat Dna Polymerase Beta, A Dna Template-Primer, And Ddctp" . . . . . 100.00 335 100.00 100.00 0.00e+00 . . . . 18267 1 17 no PDB 2BPG . "Structures Of Ternary Complexes Of Rat Dna Polymerase Beta, A Dna Template-Primer, And Ddctp" . . . . . 100.00 335 100.00 100.00 0.00e+00 . . . . 18267 1 18 no PDB 2VAN . "Nucleotidyl Transfer Mechanism Of Mismatched Dntp Incorporation By Dna Polymerase B By Structural And Kinetic Analyses" . . . . . 73.13 245 99.59 99.59 7.22e-180 . . . . 18267 1 19 no PDB 3K75 . "X-Ray Crystal Structure Of Reduced Xrcc1 Bound To Dna Pol Beta Catalytic Domain" . . . . . 73.13 252 100.00 100.00 0.00e+00 . . . . 18267 1 20 no PDB 3LQC . "X-Ray Crystal Structure Of Oxidized Xrcc1 Bound To Dna Pol B Thumb Domain" . . . . . 57.91 200 100.00 100.00 3.16e-141 . . . . 18267 1 21 no PDB 3UXN . "Crystal Structure Of Rat Dna Polymerase Beta, Wild Type Apoenzyme" . . . . . 100.00 335 100.00 100.00 0.00e+00 . . . . 18267 1 22 no PDB 3UXO . "Crystal Structure Of Rat Dna Polymerase Beta Mutator I260q Apoenzyme" . . . . . 100.00 335 99.70 99.70 0.00e+00 . . . . 18267 1 23 no PDB 3UXP . "Co-crystal Structure Of Rat Dna Polymerase Beta Mutator I260q: Enzyme- Dna-ddttp" . . . . . 100.00 335 99.70 99.70 0.00e+00 . . . . 18267 1 24 no PDB 3V72 . "Crystal Structure Of Rat Dna Polymerase Beta Mutator E295k: Enzyme- Dsdna" . . . . . 100.00 335 99.70 100.00 0.00e+00 . . . . 18267 1 25 no PDB 3V7J . "Co-crystal Structure Of Wild Type Rat Polymerase Beta: Enzyme-dna Binary Complex" . . . . . 99.10 340 100.00 100.00 0.00e+00 . . . . 18267 1 26 no PDB 3V7K . "Co-crystal Structure Of K72e Variant Of Rat Polymerase Beta: Enzyme- Dna Binary Complex" . . . . . 99.10 340 99.70 100.00 0.00e+00 . . . . 18267 1 27 no PDB 3V7L . "Apo Structure Of Rat Dna Polymerase Beta K72e Variant" . . . . . 99.10 340 99.70 100.00 0.00e+00 . . . . 18267 1 28 no DBJ BAC36630 . "unnamed protein product [Mus musculus]" . . . . . 100.00 335 97.61 98.21 0.00e+00 . . . . 18267 1 29 no DBJ BAE27405 . "unnamed protein product [Mus musculus]" . . . . . 100.00 335 97.61 98.21 0.00e+00 . . . . 18267 1 30 no DBJ BAE30399 . "unnamed protein product [Mus musculus]" . . . . . 100.00 335 97.61 98.21 0.00e+00 . . . . 18267 1 31 no GB AAA41900 . "polymerase beta [Rattus norvegicus]" . . . . . 94.93 318 99.69 99.69 0.00e+00 . . . . 18267 1 32 no GB AAA41901 . "DNA polymerase beta [Rattus norvegicus]" . . . . . 100.00 335 99.70 99.70 0.00e+00 . . . . 18267 1 33 no GB AAB00389 . "high molecular weight DNA polymerase beta [Rattus norvegicus]" . . . . . 100.00 335 99.70 99.70 0.00e+00 . . . . 18267 1 34 no GB AAH60998 . "Polymerase (DNA directed), beta [Mus musculus]" . . . . . 100.00 335 97.61 98.21 0.00e+00 . . . . 18267 1 35 no GB AAH98668 . "Polymerase (DNA directed), beta [Rattus norvegicus]" . . . . . 100.00 335 100.00 100.00 0.00e+00 . . . . 18267 1 36 no REF NP_035260 . "DNA polymerase beta [Mus musculus]" . . . . . 100.00 335 97.61 98.21 0.00e+00 . . . . 18267 1 37 no REF NP_058837 . "DNA polymerase beta [Rattus norvegicus]" . . . . . 100.00 335 100.00 100.00 0.00e+00 . . . . 18267 1 38 no REF XP_005066593 . "PREDICTED: DNA polymerase beta [Mesocricetus auratus]" . . . . . 100.00 335 97.01 98.51 0.00e+00 . . . . 18267 1 39 no REF XP_005362476 . "PREDICTED: DNA polymerase beta [Microtus ochrogaster]" . . . . . 100.00 335 97.31 98.51 0.00e+00 . . . . 18267 1 40 no SP P06766 . "RecName: Full=DNA polymerase beta" . . . . . 100.00 335 100.00 100.00 0.00e+00 . . . . 18267 1 41 no SP Q8K409 . "RecName: Full=DNA polymerase beta" . . . . . 100.00 335 97.61 98.21 0.00e+00 . . . . 18267 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 . 18267 1 2 . SER . 18267 1 3 . LYS . 18267 1 4 . ARG . 18267 1 5 . LYS . 18267 1 6 . ALA . 18267 1 7 . PRO . 18267 1 8 . GLN . 18267 1 9 . GLU . 18267 1 10 . THR . 18267 1 11 . LEU . 18267 1 12 . ASN . 18267 1 13 . GLY . 18267 1 14 . GLY . 18267 1 15 . ILE . 18267 1 16 . THR . 18267 1 17 . ASP . 18267 1 18 . MET . 18267 1 19 . LEU . 18267 1 20 . VAL . 18267 1 21 . GLU . 18267 1 22 . LEU . 18267 1 23 . ALA . 18267 1 24 . ASN . 18267 1 25 . PHE . 18267 1 26 . GLU . 18267 1 27 . LYS . 18267 1 28 . ASN . 18267 1 29 . VAL . 18267 1 30 . SER . 18267 1 31 . GLN . 18267 1 32 . ALA . 18267 1 33 . ILE . 18267 1 34 . HIS . 18267 1 35 . LYS . 18267 1 36 . TYR . 18267 1 37 . ASN . 18267 1 38 . ALA . 18267 1 39 . TYR . 18267 1 40 . ARG . 18267 1 41 . LYS . 18267 1 42 . ALA . 18267 1 43 . ALA . 18267 1 44 . SER . 18267 1 45 . VAL . 18267 1 46 . ILE . 18267 1 47 . ALA . 18267 1 48 . LYS . 18267 1 49 . TYR . 18267 1 50 . PRO . 18267 1 51 . HIS . 18267 1 52 . LYS . 18267 1 53 . ILE . 18267 1 54 . LYS . 18267 1 55 . SER . 18267 1 56 . GLY . 18267 1 57 . ALA . 18267 1 58 . GLU . 18267 1 59 . ALA . 18267 1 60 . LYS . 18267 1 61 . LYS . 18267 1 62 . LEU . 18267 1 63 . PRO . 18267 1 64 . GLY . 18267 1 65 . VAL . 18267 1 66 . GLY . 18267 1 67 . THR . 18267 1 68 . LYS . 18267 1 69 . ILE . 18267 1 70 . ALA . 18267 1 71 . GLU . 18267 1 72 . LYS . 18267 1 73 . ILE . 18267 1 74 . ASP . 18267 1 75 . GLU . 18267 1 76 . PHE . 18267 1 77 . LEU . 18267 1 78 . ALA . 18267 1 79 . THR . 18267 1 80 . GLY . 18267 1 81 . LYS . 18267 1 82 . LEU . 18267 1 83 . ARG . 18267 1 84 . LYS . 18267 1 85 . LEU . 18267 1 86 . GLU . 18267 1 87 . LYS . 18267 1 88 . ILE . 18267 1 89 . ARG . 18267 1 90 . GLN . 18267 1 91 . ASP . 18267 1 92 . ASP . 18267 1 93 . THR . 18267 1 94 . SER . 18267 1 95 . SER . 18267 1 96 . SER . 18267 1 97 . ILE . 18267 1 98 . ASN . 18267 1 99 . PHE . 18267 1 100 . LEU . 18267 1 101 . THR . 18267 1 102 . ARG . 18267 1 103 . VAL . 18267 1 104 . THR . 18267 1 105 . GLY . 18267 1 106 . ILE . 18267 1 107 . GLY . 18267 1 108 . PRO . 18267 1 109 . SER . 18267 1 110 . ALA . 18267 1 111 . ALA . 18267 1 112 . ARG . 18267 1 113 . LYS . 18267 1 114 . LEU . 18267 1 115 . VAL . 18267 1 116 . ASP . 18267 1 117 . GLU . 18267 1 118 . GLY . 18267 1 119 . ILE . 18267 1 120 . LYS . 18267 1 121 . THR . 18267 1 122 . LEU . 18267 1 123 . GLU . 18267 1 124 . ASP . 18267 1 125 . LEU . 18267 1 126 . ARG . 18267 1 127 . LYS . 18267 1 128 . ASN . 18267 1 129 . GLU . 18267 1 130 . ASP . 18267 1 131 . LYS . 18267 1 132 . LEU . 18267 1 133 . ASN . 18267 1 134 . HIS . 18267 1 135 . HIS . 18267 1 136 . GLN . 18267 1 137 . ARG . 18267 1 138 . ILE . 18267 1 139 . GLY . 18267 1 140 . LEU . 18267 1 141 . LYS . 18267 1 142 . TYR . 18267 1 143 . PHE . 18267 1 144 . GLU . 18267 1 145 . ASP . 18267 1 146 . PHE . 18267 1 147 . GLU . 18267 1 148 . LYS . 18267 1 149 . ARG . 18267 1 150 . ILE . 18267 1 151 . PRO . 18267 1 152 . ARG . 18267 1 153 . GLU . 18267 1 154 . GLU . 18267 1 155 . MET . 18267 1 156 . LEU . 18267 1 157 . GLN . 18267 1 158 . MET . 18267 1 159 . GLN . 18267 1 160 . ASP . 18267 1 161 . ILE . 18267 1 162 . VAL . 18267 1 163 . LEU . 18267 1 164 . ASN . 18267 1 165 . GLU . 18267 1 166 . VAL . 18267 1 167 . LYS . 18267 1 168 . LYS . 18267 1 169 . LEU . 18267 1 170 . ASP . 18267 1 171 . PRO . 18267 1 172 . GLU . 18267 1 173 . TYR . 18267 1 174 . ILE . 18267 1 175 . ALA . 18267 1 176 . THR . 18267 1 177 . VAL . 18267 1 178 . CYS . 18267 1 179 . GLY . 18267 1 180 . SER . 18267 1 181 . PHE . 18267 1 182 . ARG . 18267 1 183 . ARG . 18267 1 184 . GLY . 18267 1 185 . ALA . 18267 1 186 . GLU . 18267 1 187 . SER . 18267 1 188 . SER . 18267 1 189 . GLY . 18267 1 190 . ASP . 18267 1 191 . MET . 18267 1 192 . ASP . 18267 1 193 . VAL . 18267 1 194 . LEU . 18267 1 195 . LEU . 18267 1 196 . THR . 18267 1 197 . HIS . 18267 1 198 . PRO . 18267 1 199 . ASN . 18267 1 200 . PHE . 18267 1 201 . THR . 18267 1 202 . SER . 18267 1 203 . GLU . 18267 1 204 . SER . 18267 1 205 . SER . 18267 1 206 . LYS . 18267 1 207 . GLN . 18267 1 208 . PRO . 18267 1 209 . LYS . 18267 1 210 . LEU . 18267 1 211 . LEU . 18267 1 212 . HIS . 18267 1 213 . ARG . 18267 1 214 . VAL . 18267 1 215 . VAL . 18267 1 216 . GLU . 18267 1 217 . GLN . 18267 1 218 . LEU . 18267 1 219 . GLN . 18267 1 220 . LYS . 18267 1 221 . VAL . 18267 1 222 . ARG . 18267 1 223 . PHE . 18267 1 224 . ILE . 18267 1 225 . THR . 18267 1 226 . ASP . 18267 1 227 . THR . 18267 1 228 . LEU . 18267 1 229 . SER . 18267 1 230 . LYS . 18267 1 231 . GLY . 18267 1 232 . GLU . 18267 1 233 . THR . 18267 1 234 . LYS . 18267 1 235 . PHE . 18267 1 236 . MET . 18267 1 237 . GLY . 18267 1 238 . VAL . 18267 1 239 . CYS . 18267 1 240 . GLN . 18267 1 241 . LEU . 18267 1 242 . PRO . 18267 1 243 . SER . 18267 1 244 . GLU . 18267 1 245 . ASN . 18267 1 246 . ASP . 18267 1 247 . GLU . 18267 1 248 . ASN . 18267 1 249 . GLU . 18267 1 250 . TYR . 18267 1 251 . PRO . 18267 1 252 . HIS . 18267 1 253 . ARG . 18267 1 254 . ARG . 18267 1 255 . ILE . 18267 1 256 . ASP . 18267 1 257 . ILE . 18267 1 258 . ARG . 18267 1 259 . LEU . 18267 1 260 . ILE . 18267 1 261 . PRO . 18267 1 262 . LYS . 18267 1 263 . ASP . 18267 1 264 . GLN . 18267 1 265 . TYR . 18267 1 266 . TYR . 18267 1 267 . CYS . 18267 1 268 . GLY . 18267 1 269 . VAL . 18267 1 270 . LEU . 18267 1 271 . TYR . 18267 1 272 . PHE . 18267 1 273 . THR . 18267 1 274 . GLY . 18267 1 275 . SER . 18267 1 276 . ASP . 18267 1 277 . ILE . 18267 1 278 . PHE . 18267 1 279 . ASN . 18267 1 280 . LYS . 18267 1 281 . ASN . 18267 1 282 . MET . 18267 1 283 . ARG . 18267 1 284 . ALA . 18267 1 285 . HIS . 18267 1 286 . ALA . 18267 1 287 . LEU . 18267 1 288 . GLU . 18267 1 289 . LYS . 18267 1 290 . GLY . 18267 1 291 . PHE . 18267 1 292 . THR . 18267 1 293 . ILE . 18267 1 294 . ASN . 18267 1 295 . GLU . 18267 1 296 . TYR . 18267 1 297 . THR . 18267 1 298 . ILE . 18267 1 299 . ARG . 18267 1 300 . PRO . 18267 1 301 . LEU . 18267 1 302 . GLY . 18267 1 303 . VAL . 18267 1 304 . THR . 18267 1 305 . GLY . 18267 1 306 . VAL . 18267 1 307 . ALA . 18267 1 308 . GLY . 18267 1 309 . GLU . 18267 1 310 . PRO . 18267 1 311 . LEU . 18267 1 312 . PRO . 18267 1 313 . VAL . 18267 1 314 . ASP . 18267 1 315 . SER . 18267 1 316 . GLU . 18267 1 317 . GLN . 18267 1 318 . ASP . 18267 1 319 . ILE . 18267 1 320 . PHE . 18267 1 321 . ASP . 18267 1 322 . TYR . 18267 1 323 . ILE . 18267 1 324 . GLN . 18267 1 325 . TRP . 18267 1 326 . ARG . 18267 1 327 . TYR . 18267 1 328 . ARG . 18267 1 329 . GLU . 18267 1 330 . PRO . 18267 1 331 . LYS . 18267 1 332 . ASP . 18267 1 333 . ARG . 18267 1 334 . SER . 18267 1 335 . GLU . 18267 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 18267 1 . SER 2 2 18267 1 . LYS 3 3 18267 1 . ARG 4 4 18267 1 . LYS 5 5 18267 1 . ALA 6 6 18267 1 . PRO 7 7 18267 1 . GLN 8 8 18267 1 . GLU 9 9 18267 1 . THR 10 10 18267 1 . LEU 11 11 18267 1 . ASN 12 12 18267 1 . GLY 13 13 18267 1 . GLY 14 14 18267 1 . ILE 15 15 18267 1 . THR 16 16 18267 1 . ASP 17 17 18267 1 . MET 18 18 18267 1 . LEU 19 19 18267 1 . VAL 20 20 18267 1 . GLU 21 21 18267 1 . LEU 22 22 18267 1 . ALA 23 23 18267 1 . ASN 24 24 18267 1 . PHE 25 25 18267 1 . GLU 26 26 18267 1 . LYS 27 27 18267 1 . ASN 28 28 18267 1 . VAL 29 29 18267 1 . SER 30 30 18267 1 . GLN 31 31 18267 1 . ALA 32 32 18267 1 . ILE 33 33 18267 1 . HIS 34 34 18267 1 . LYS 35 35 18267 1 . TYR 36 36 18267 1 . ASN 37 37 18267 1 . ALA 38 38 18267 1 . TYR 39 39 18267 1 . ARG 40 40 18267 1 . LYS 41 41 18267 1 . ALA 42 42 18267 1 . ALA 43 43 18267 1 . SER 44 44 18267 1 . VAL 45 45 18267 1 . ILE 46 46 18267 1 . ALA 47 47 18267 1 . LYS 48 48 18267 1 . TYR 49 49 18267 1 . PRO 50 50 18267 1 . HIS 51 51 18267 1 . LYS 52 52 18267 1 . ILE 53 53 18267 1 . LYS 54 54 18267 1 . SER 55 55 18267 1 . GLY 56 56 18267 1 . ALA 57 57 18267 1 . GLU 58 58 18267 1 . ALA 59 59 18267 1 . LYS 60 60 18267 1 . LYS 61 61 18267 1 . LEU 62 62 18267 1 . PRO 63 63 18267 1 . GLY 64 64 18267 1 . VAL 65 65 18267 1 . GLY 66 66 18267 1 . THR 67 67 18267 1 . LYS 68 68 18267 1 . ILE 69 69 18267 1 . ALA 70 70 18267 1 . GLU 71 71 18267 1 . LYS 72 72 18267 1 . ILE 73 73 18267 1 . ASP 74 74 18267 1 . GLU 75 75 18267 1 . PHE 76 76 18267 1 . LEU 77 77 18267 1 . ALA 78 78 18267 1 . THR 79 79 18267 1 . GLY 80 80 18267 1 . LYS 81 81 18267 1 . LEU 82 82 18267 1 . ARG 83 83 18267 1 . LYS 84 84 18267 1 . LEU 85 85 18267 1 . GLU 86 86 18267 1 . LYS 87 87 18267 1 . ILE 88 88 18267 1 . ARG 89 89 18267 1 . GLN 90 90 18267 1 . ASP 91 91 18267 1 . ASP 92 92 18267 1 . THR 93 93 18267 1 . SER 94 94 18267 1 . SER 95 95 18267 1 . SER 96 96 18267 1 . ILE 97 97 18267 1 . ASN 98 98 18267 1 . PHE 99 99 18267 1 . LEU 100 100 18267 1 . THR 101 101 18267 1 . ARG 102 102 18267 1 . VAL 103 103 18267 1 . THR 104 104 18267 1 . GLY 105 105 18267 1 . ILE 106 106 18267 1 . GLY 107 107 18267 1 . PRO 108 108 18267 1 . SER 109 109 18267 1 . ALA 110 110 18267 1 . ALA 111 111 18267 1 . ARG 112 112 18267 1 . LYS 113 113 18267 1 . LEU 114 114 18267 1 . VAL 115 115 18267 1 . ASP 116 116 18267 1 . GLU 117 117 18267 1 . GLY 118 118 18267 1 . ILE 119 119 18267 1 . LYS 120 120 18267 1 . THR 121 121 18267 1 . LEU 122 122 18267 1 . GLU 123 123 18267 1 . ASP 124 124 18267 1 . LEU 125 125 18267 1 . ARG 126 126 18267 1 . LYS 127 127 18267 1 . ASN 128 128 18267 1 . GLU 129 129 18267 1 . ASP 130 130 18267 1 . LYS 131 131 18267 1 . LEU 132 132 18267 1 . ASN 133 133 18267 1 . HIS 134 134 18267 1 . HIS 135 135 18267 1 . GLN 136 136 18267 1 . ARG 137 137 18267 1 . ILE 138 138 18267 1 . GLY 139 139 18267 1 . LEU 140 140 18267 1 . LYS 141 141 18267 1 . TYR 142 142 18267 1 . PHE 143 143 18267 1 . GLU 144 144 18267 1 . ASP 145 145 18267 1 . PHE 146 146 18267 1 . GLU 147 147 18267 1 . LYS 148 148 18267 1 . ARG 149 149 18267 1 . ILE 150 150 18267 1 . PRO 151 151 18267 1 . ARG 152 152 18267 1 . GLU 153 153 18267 1 . GLU 154 154 18267 1 . MET 155 155 18267 1 . LEU 156 156 18267 1 . GLN 157 157 18267 1 . MET 158 158 18267 1 . GLN 159 159 18267 1 . ASP 160 160 18267 1 . ILE 161 161 18267 1 . VAL 162 162 18267 1 . LEU 163 163 18267 1 . ASN 164 164 18267 1 . GLU 165 165 18267 1 . VAL 166 166 18267 1 . LYS 167 167 18267 1 . LYS 168 168 18267 1 . LEU 169 169 18267 1 . ASP 170 170 18267 1 . PRO 171 171 18267 1 . GLU 172 172 18267 1 . TYR 173 173 18267 1 . ILE 174 174 18267 1 . ALA 175 175 18267 1 . THR 176 176 18267 1 . VAL 177 177 18267 1 . CYS 178 178 18267 1 . GLY 179 179 18267 1 . SER 180 180 18267 1 . PHE 181 181 18267 1 . ARG 182 182 18267 1 . ARG 183 183 18267 1 . GLY 184 184 18267 1 . ALA 185 185 18267 1 . GLU 186 186 18267 1 . SER 187 187 18267 1 . SER 188 188 18267 1 . GLY 189 189 18267 1 . ASP 190 190 18267 1 . MET 191 191 18267 1 . ASP 192 192 18267 1 . VAL 193 193 18267 1 . LEU 194 194 18267 1 . LEU 195 195 18267 1 . THR 196 196 18267 1 . HIS 197 197 18267 1 . PRO 198 198 18267 1 . ASN 199 199 18267 1 . PHE 200 200 18267 1 . THR 201 201 18267 1 . SER 202 202 18267 1 . GLU 203 203 18267 1 . SER 204 204 18267 1 . SER 205 205 18267 1 . LYS 206 206 18267 1 . GLN 207 207 18267 1 . PRO 208 208 18267 1 . LYS 209 209 18267 1 . LEU 210 210 18267 1 . LEU 211 211 18267 1 . HIS 212 212 18267 1 . ARG 213 213 18267 1 . VAL 214 214 18267 1 . VAL 215 215 18267 1 . GLU 216 216 18267 1 . GLN 217 217 18267 1 . LEU 218 218 18267 1 . GLN 219 219 18267 1 . LYS 220 220 18267 1 . VAL 221 221 18267 1 . ARG 222 222 18267 1 . PHE 223 223 18267 1 . ILE 224 224 18267 1 . THR 225 225 18267 1 . ASP 226 226 18267 1 . THR 227 227 18267 1 . LEU 228 228 18267 1 . SER 229 229 18267 1 . LYS 230 230 18267 1 . GLY 231 231 18267 1 . GLU 232 232 18267 1 . THR 233 233 18267 1 . LYS 234 234 18267 1 . PHE 235 235 18267 1 . MET 236 236 18267 1 . GLY 237 237 18267 1 . VAL 238 238 18267 1 . CYS 239 239 18267 1 . GLN 240 240 18267 1 . LEU 241 241 18267 1 . PRO 242 242 18267 1 . SER 243 243 18267 1 . GLU 244 244 18267 1 . ASN 245 245 18267 1 . ASP 246 246 18267 1 . GLU 247 247 18267 1 . ASN 248 248 18267 1 . GLU 249 249 18267 1 . TYR 250 250 18267 1 . PRO 251 251 18267 1 . HIS 252 252 18267 1 . ARG 253 253 18267 1 . ARG 254 254 18267 1 . ILE 255 255 18267 1 . ASP 256 256 18267 1 . ILE 257 257 18267 1 . ARG 258 258 18267 1 . LEU 259 259 18267 1 . ILE 260 260 18267 1 . PRO 261 261 18267 1 . LYS 262 262 18267 1 . ASP 263 263 18267 1 . GLN 264 264 18267 1 . TYR 265 265 18267 1 . TYR 266 266 18267 1 . CYS 267 267 18267 1 . GLY 268 268 18267 1 . VAL 269 269 18267 1 . LEU 270 270 18267 1 . TYR 271 271 18267 1 . PHE 272 272 18267 1 . THR 273 273 18267 1 . GLY 274 274 18267 1 . SER 275 275 18267 1 . ASP 276 276 18267 1 . ILE 277 277 18267 1 . PHE 278 278 18267 1 . ASN 279 279 18267 1 . LYS 280 280 18267 1 . ASN 281 281 18267 1 . MET 282 282 18267 1 . ARG 283 283 18267 1 . ALA 284 284 18267 1 . HIS 285 285 18267 1 . ALA 286 286 18267 1 . LEU 287 287 18267 1 . GLU 288 288 18267 1 . LYS 289 289 18267 1 . GLY 290 290 18267 1 . PHE 291 291 18267 1 . THR 292 292 18267 1 . ILE 293 293 18267 1 . ASN 294 294 18267 1 . GLU 295 295 18267 1 . TYR 296 296 18267 1 . THR 297 297 18267 1 . ILE 298 298 18267 1 . ARG 299 299 18267 1 . PRO 300 300 18267 1 . LEU 301 301 18267 1 . GLY 302 302 18267 1 . VAL 303 303 18267 1 . THR 304 304 18267 1 . GLY 305 305 18267 1 . VAL 306 306 18267 1 . ALA 307 307 18267 1 . GLY 308 308 18267 1 . GLU 309 309 18267 1 . PRO 310 310 18267 1 . LEU 311 311 18267 1 . PRO 312 312 18267 1 . VAL 313 313 18267 1 . ASP 314 314 18267 1 . SER 315 315 18267 1 . GLU 316 316 18267 1 . GLN 317 317 18267 1 . ASP 318 318 18267 1 . ILE 319 319 18267 1 . PHE 320 320 18267 1 . ASP 321 321 18267 1 . TYR 322 322 18267 1 . ILE 323 323 18267 1 . GLN 324 324 18267 1 . TRP 325 325 18267 1 . ARG 326 326 18267 1 . TYR 327 327 18267 1 . ARG 328 328 18267 1 . GLU 329 329 18267 1 . PRO 330 330 18267 1 . LYS 331 331 18267 1 . ASP 332 332 18267 1 . ARG 333 333 18267 1 . SER 334 334 18267 1 . GLU 335 335 18267 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18267 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $DNA_Polymerase_beta . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21 . . . . . . . . . . . . 18267 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 18267 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $DNA_Polymerase_beta . 'purified from the natural source' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . 18267 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18267 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DNA_Polymerase_beta '[U-13C; U-15N; U-2H]' . . 1 $DNA_Polymerase_beta . . 0.6 . . mM 0.2 . . . 18267 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM 0.1 . . . 18267 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM 0.1 . . . 18267 1 4 'sodium azide' 'natural abundance' . . . . . . 0.002 . . mM 0.1 . . . 18267 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18267 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18267 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18267 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.001 . M 18267 1 pH 7.4 . pH 18267 1 pressure 1 . atm 18267 1 temperature 296 . K 18267 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18267 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18267 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18267 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18267 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18267 _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_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18267 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18267 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 900 . . . 18267 1 2 spectrometer_2 Varian INOVA . 800 . . . 18267 1 3 spectrometer_3 Varian INOVA . 600 . . . 18267 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18267 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18267 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18267 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18267 1 4 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18267 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18267 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18267 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18267 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18267 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18267 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18267 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18267 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18267 1 2 '3D HNCO' . . . 18267 1 3 '3D HNCACB' . . . 18267 1 4 '3D HN(COCA)CB' . . . 18267 1 5 '3D HNCA' . . . 18267 1 6 '3D HN(CO)CA' . . . 18267 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER C C 13 173.515 0.3 . 1 . . . . 2 SER C . 18267 1 2 . 1 1 2 2 SER CA C 13 58.046 0.3 . 1 . . . . 2 SER CA . 18267 1 3 . 1 1 2 2 SER CB C 13 63.096 0.3 . 1 . . . . 2 SER CB . 18267 1 4 . 1 1 3 3 LYS H H 1 7.905 0.020 . 1 . . . . 3 LYS H . 18267 1 5 . 1 1 3 3 LYS CA C 13 57.536 0.3 . 1 . . . . 3 LYS CA . 18267 1 6 . 1 1 3 3 LYS CB C 13 30.356 0.3 . 1 . . . . 3 LYS CB . 18267 1 7 . 1 1 3 3 LYS N N 15 128.857 0.3 . 1 . . . . 3 LYS N . 18267 1 8 . 1 1 4 4 ARG C C 13 176.131 0.3 . 1 . . . . 4 ARG C . 18267 1 9 . 1 1 4 4 ARG CA C 13 55.417 0.3 . 1 . . . . 4 ARG CA . 18267 1 10 . 1 1 5 5 LYS H H 1 8.335 0.020 . 1 . . . . 5 LYS H . 18267 1 11 . 1 1 5 5 LYS C C 13 175.859 0.3 . 1 . . . . 5 LYS C . 18267 1 12 . 1 1 5 5 LYS CA C 13 55.559 0.3 . 1 . . . . 5 LYS CA . 18267 1 13 . 1 1 5 5 LYS CB C 13 32.334 0.3 . 1 . . . . 5 LYS CB . 18267 1 14 . 1 1 5 5 LYS N N 15 125.468 0.3 . 1 . . . . 5 LYS N . 18267 1 15 . 1 1 6 6 ALA H H 1 8.320 0.020 . 1 . . . . 6 ALA H . 18267 1 16 . 1 1 6 6 ALA CA C 13 50.037 0.3 . 1 . . . . 6 ALA CA . 18267 1 17 . 1 1 6 6 ALA CB C 13 17.407 0.3 . 1 . . . . 6 ALA CB . 18267 1 18 . 1 1 6 6 ALA N N 15 128.704 0.3 . 1 . . . . 6 ALA N . 18267 1 19 . 1 1 7 7 PRO C C 13 176.864 0.3 . 1 . . . . 7 PRO C . 18267 1 20 . 1 1 7 7 PRO CA C 13 62.737 0.3 . 1 . . . . 7 PRO CA . 18267 1 21 . 1 1 7 7 PRO CB C 13 31.126 0.3 . 1 . . . . 7 PRO CB . 18267 1 22 . 1 1 8 8 GLN H H 1 8.377 0.020 . 1 . . . . 8 GLN H . 18267 1 23 . 1 1 8 8 GLN C C 13 175.940 0.3 . 1 . . . . 8 GLN C . 18267 1 24 . 1 1 8 8 GLN CA C 13 55.434 0.3 . 1 . . . . 8 GLN CA . 18267 1 25 . 1 1 8 8 GLN CB C 13 28.711 0.3 . 1 . . . . 8 GLN CB . 18267 1 26 . 1 1 8 8 GLN N N 15 121.557 0.3 . 1 . . . . 8 GLN N . 18267 1 27 . 1 1 9 9 GLU H H 1 8.399 0.020 . 1 . . . . 9 GLU H . 18267 1 28 . 1 1 9 9 GLU C C 13 172.386 0.3 . 1 . . . . 9 GLU C . 18267 1 29 . 1 1 9 9 GLU CA C 13 56.103 0.3 . 1 . . . . 9 GLU CA . 18267 1 30 . 1 1 9 9 GLU CB C 13 29.680 0.3 . 1 . . . . 9 GLU CB . 18267 1 31 . 1 1 9 9 GLU N N 15 124.093 0.3 . 1 . . . . 9 GLU N . 18267 1 32 . 1 1 10 10 THR H H 1 8.107 0.020 . 1 . . . . 10 THR H . 18267 1 33 . 1 1 10 10 THR CA C 13 61.298 0.3 . 1 . . . . 10 THR CA . 18267 1 34 . 1 1 10 10 THR CB C 13 69.238 0.3 . 1 . . . . 10 THR CB . 18267 1 35 . 1 1 10 10 THR N N 15 116.777 0.3 . 1 . . . . 10 THR N . 18267 1 36 . 1 1 11 11 LEU CA C 13 54.707 0.3 . 1 . . . . 11 LEU CA . 18267 1 37 . 1 1 13 13 GLY C C 13 174.859 0.3 . 1 . . . . 13 GLY C . 18267 1 38 . 1 1 13 13 GLY CA C 13 47.076 0.3 . 1 . . . . 13 GLY CA . 18267 1 39 . 1 1 14 14 GLY H H 1 8.424 0.020 . 1 . . . . 14 GLY H . 18267 1 40 . 1 1 14 14 GLY C C 13 176.442 0.3 . 1 . . . . 14 GLY C . 18267 1 41 . 1 1 14 14 GLY CA C 13 46.854 0.3 . 1 . . . . 14 GLY CA . 18267 1 42 . 1 1 14 14 GLY N N 15 109.459 0.3 . 1 . . . . 14 GLY N . 18267 1 43 . 1 1 15 15 ILE H H 1 7.607 0.020 . 1 . . . . 15 ILE H . 18267 1 44 . 1 1 15 15 ILE C C 13 177.355 0.3 . 1 . . . . 15 ILE C . 18267 1 45 . 1 1 15 15 ILE CA C 13 64.248 0.3 . 1 . . . . 15 ILE CA . 18267 1 46 . 1 1 15 15 ILE CB C 13 38.107 0.3 . 1 . . . . 15 ILE CB . 18267 1 47 . 1 1 15 15 ILE N N 15 121.740 0.3 . 1 . . . . 15 ILE N . 18267 1 48 . 1 1 16 16 THR H H 1 8.212 0.020 . 1 . . . . 16 THR H . 18267 1 49 . 1 1 16 16 THR C C 13 176.077 0.3 . 1 . . . . 16 THR C . 18267 1 50 . 1 1 16 16 THR CA C 13 67.230 0.3 . 1 . . . . 16 THR CA . 18267 1 51 . 1 1 16 16 THR CB C 13 67.417 0.3 . 1 . . . . 16 THR CB . 18267 1 52 . 1 1 16 16 THR N N 15 116.051 0.3 . 1 . . . . 16 THR N . 18267 1 53 . 1 1 17 17 ASP H H 1 8.482 0.020 . 1 . . . . 17 ASP H . 18267 1 54 . 1 1 17 17 ASP C C 13 178.779 0.3 . 1 . . . . 17 ASP C . 18267 1 55 . 1 1 17 17 ASP CA C 13 56.900 0.3 . 1 . . . . 17 ASP CA . 18267 1 56 . 1 1 17 17 ASP CB C 13 39.278 0.3 . 1 . . . . 17 ASP CB . 18267 1 57 . 1 1 17 17 ASP N N 15 122.456 0.3 . 1 . . . . 17 ASP N . 18267 1 58 . 1 1 18 18 MET H H 1 7.167 0.020 . 1 . . . . 18 MET H . 18267 1 59 . 1 1 18 18 MET C C 13 177.923 0.3 . 1 . . . . 18 MET C . 18267 1 60 . 1 1 18 18 MET CA C 13 58.031 0.3 . 1 . . . . 18 MET CA . 18267 1 61 . 1 1 18 18 MET CB C 13 28.549 0.3 . 1 . . . . 18 MET CB . 18267 1 62 . 1 1 18 18 MET N N 15 122.537 0.3 . 1 . . . . 18 MET N . 18267 1 63 . 1 1 19 19 LEU H H 1 7.927 0.020 . 1 . . . . 19 LEU H . 18267 1 64 . 1 1 19 19 LEU C C 13 179.037 0.3 . 1 . . . . 19 LEU C . 18267 1 65 . 1 1 19 19 LEU CA C 13 57.211 0.3 . 1 . . . . 19 LEU CA . 18267 1 66 . 1 1 19 19 LEU CB C 13 41.265 0.3 . 1 . . . . 19 LEU CB . 18267 1 67 . 1 1 19 19 LEU N N 15 122.528 0.3 . 1 . . . . 19 LEU N . 18267 1 68 . 1 1 20 20 VAL H H 1 8.207 0.020 . 1 . . . . 20 VAL H . 18267 1 69 . 1 1 20 20 VAL C C 13 177.928 0.3 . 1 . . . . 20 VAL C . 18267 1 70 . 1 1 20 20 VAL CA C 13 66.448 0.3 . 1 . . . . 20 VAL CA . 18267 1 71 . 1 1 20 20 VAL CB C 13 30.710 0.3 . 1 . . . . 20 VAL CB . 18267 1 72 . 1 1 20 20 VAL N N 15 122.073 0.3 . 1 . . . . 20 VAL N . 18267 1 73 . 1 1 21 21 GLU H H 1 7.827 0.020 . 1 . . . . 21 GLU H . 18267 1 74 . 1 1 21 21 GLU C C 13 180.291 0.3 . 1 . . . . 21 GLU C . 18267 1 75 . 1 1 21 21 GLU CA C 13 59.180 0.3 . 1 . . . . 21 GLU CA . 18267 1 76 . 1 1 21 21 GLU CB C 13 28.287 0.3 . 1 . . . . 21 GLU CB . 18267 1 77 . 1 1 21 21 GLU N N 15 122.572 0.3 . 1 . . . . 21 GLU N . 18267 1 78 . 1 1 22 22 LEU H H 1 8.048 0.020 . 1 . . . . 22 LEU H . 18267 1 79 . 1 1 22 22 LEU C C 13 179.174 0.3 . 1 . . . . 22 LEU C . 18267 1 80 . 1 1 22 22 LEU CA C 13 57.333 0.3 . 1 . . . . 22 LEU CA . 18267 1 81 . 1 1 22 22 LEU CB C 13 39.559 0.3 . 1 . . . . 22 LEU CB . 18267 1 82 . 1 1 22 22 LEU N N 15 122.863 0.3 . 1 . . . . 22 LEU N . 18267 1 83 . 1 1 23 23 ALA H H 1 8.437 0.020 . 1 . . . . 23 ALA H . 18267 1 84 . 1 1 23 23 ALA C C 13 179.647 0.3 . 1 . . . . 23 ALA C . 18267 1 85 . 1 1 23 23 ALA CA C 13 55.383 0.3 . 1 . . . . 23 ALA CA . 18267 1 86 . 1 1 23 23 ALA CB C 13 17.044 0.3 . 1 . . . . 23 ALA CB . 18267 1 87 . 1 1 23 23 ALA N N 15 123.104 0.3 . 1 . . . . 23 ALA N . 18267 1 88 . 1 1 24 24 ASN H H 1 8.413 0.020 . 1 . . . . 24 ASN H . 18267 1 89 . 1 1 24 24 ASN CA C 13 55.664 0.3 . 1 . . . . 24 ASN CA . 18267 1 90 . 1 1 24 24 ASN CB C 13 37.278 0.3 . 1 . . . . 24 ASN CB . 18267 1 91 . 1 1 24 24 ASN N N 15 118.593 0.3 . 1 . . . . 24 ASN N . 18267 1 92 . 1 1 25 25 PHE H H 1 8.062 0.020 . 1 . . . . 25 PHE H . 18267 1 93 . 1 1 25 25 PHE CA C 13 61.104 0.3 . 1 . . . . 25 PHE CA . 18267 1 94 . 1 1 25 25 PHE CB C 13 38.208 0.3 . 1 . . . . 25 PHE CB . 18267 1 95 . 1 1 25 25 PHE N N 15 123.977 0.3 . 1 . . . . 25 PHE N . 18267 1 96 . 1 1 26 26 GLU H H 1 8.341 0.020 . 1 . . . . 26 GLU H . 18267 1 97 . 1 1 26 26 GLU C C 13 178.959 0.3 . 1 . . . . 26 GLU C . 18267 1 98 . 1 1 26 26 GLU CA C 13 57.183 0.3 . 1 . . . . 26 GLU CA . 18267 1 99 . 1 1 26 26 GLU CB C 13 27.650 0.3 . 1 . . . . 26 GLU CB . 18267 1 100 . 1 1 26 26 GLU N N 15 120.537 0.3 . 1 . . . . 26 GLU N . 18267 1 101 . 1 1 27 27 LYS H H 1 8.214 0.020 . 1 . . . . 27 LYS H . 18267 1 102 . 1 1 27 27 LYS C C 13 177.295 0.3 . 1 . . . . 27 LYS C . 18267 1 103 . 1 1 27 27 LYS CA C 13 59.051 0.3 . 1 . . . . 27 LYS CA . 18267 1 104 . 1 1 27 27 LYS CB C 13 32.266 0.3 . 1 . . . . 27 LYS CB . 18267 1 105 . 1 1 27 27 LYS N N 15 119.841 0.3 . 1 . . . . 27 LYS N . 18267 1 106 . 1 1 28 28 ASN H H 1 8.250 0.020 . 1 . . . . 28 ASN H . 18267 1 107 . 1 1 28 28 ASN CA C 13 54.638 0.3 . 1 . . . . 28 ASN CA . 18267 1 108 . 1 1 28 28 ASN CB C 13 38.551 0.3 . 1 . . . . 28 ASN CB . 18267 1 109 . 1 1 28 28 ASN N N 15 114.949 0.3 . 1 . . . . 28 ASN N . 18267 1 110 . 1 1 29 29 VAL H H 1 8.252 0.020 . 1 . . . . 29 VAL H . 18267 1 111 . 1 1 29 29 VAL CA C 13 63.844 0.3 . 1 . . . . 29 VAL CA . 18267 1 112 . 1 1 29 29 VAL CB C 13 30.383 0.3 . 1 . . . . 29 VAL CB . 18267 1 113 . 1 1 29 29 VAL N N 15 121.202 0.3 . 1 . . . . 29 VAL N . 18267 1 114 . 1 1 30 30 SER C C 13 174.585 0.3 . 1 . . . . 30 SER C . 18267 1 115 . 1 1 30 30 SER CA C 13 58.568 0.3 . 1 . . . . 30 SER CA . 18267 1 116 . 1 1 30 30 SER CB C 13 62.438 0.3 . 1 . . . . 30 SER CB . 18267 1 117 . 1 1 31 31 GLN H H 1 7.317 0.020 . 1 . . . . 31 GLN H . 18267 1 118 . 1 1 31 31 GLN C C 13 174.857 0.3 . 1 . . . . 31 GLN C . 18267 1 119 . 1 1 31 31 GLN CA C 13 56.432 0.3 . 1 . . . . 31 GLN CA . 18267 1 120 . 1 1 31 31 GLN CB C 13 25.389 0.3 . 1 . . . . 31 GLN CB . 18267 1 121 . 1 1 31 31 GLN N N 15 116.392 0.3 . 1 . . . . 31 GLN N . 18267 1 122 . 1 1 32 32 ALA H H 1 8.113 0.020 . 1 . . . . 32 ALA H . 18267 1 123 . 1 1 32 32 ALA CA C 13 49.980 0.3 . 1 . . . . 32 ALA CA . 18267 1 124 . 1 1 32 32 ALA CB C 13 17.524 0.3 . 1 . . . . 32 ALA CB . 18267 1 125 . 1 1 32 32 ALA N N 15 125.533 0.3 . 1 . . . . 32 ALA N . 18267 1 126 . 1 1 33 33 ILE H H 1 8.268 0.020 . 1 . . . . 33 ILE H . 18267 1 127 . 1 1 33 33 ILE C C 13 176.811 0.3 . 1 . . . . 33 ILE C . 18267 1 128 . 1 1 33 33 ILE CA C 13 61.940 0.3 . 1 . . . . 33 ILE CA . 18267 1 129 . 1 1 33 33 ILE CB C 13 36.699 0.3 . 1 . . . . 33 ILE CB . 18267 1 130 . 1 1 33 33 ILE N N 15 125.788 0.3 . 1 . . . . 33 ILE N . 18267 1 131 . 1 1 34 34 HIS H H 1 8.543 0.020 . 1 . . . . 34 HIS H . 18267 1 132 . 1 1 34 34 HIS C C 13 178.879 0.3 . 1 . . . . 34 HIS C . 18267 1 133 . 1 1 34 34 HIS CA C 13 58.571 0.3 . 1 . . . . 34 HIS CA . 18267 1 134 . 1 1 34 34 HIS CB C 13 28.660 0.3 . 1 . . . . 34 HIS CB . 18267 1 135 . 1 1 34 34 HIS N N 15 120.625 0.3 . 1 . . . . 34 HIS N . 18267 1 136 . 1 1 35 35 LYS H H 1 6.813 0.020 . 1 . . . . 35 LYS H . 18267 1 137 . 1 1 35 35 LYS C C 13 177.622 0.3 . 1 . . . . 35 LYS C . 18267 1 138 . 1 1 35 35 LYS CA C 13 58.358 0.3 . 1 . . . . 35 LYS CA . 18267 1 139 . 1 1 35 35 LYS CB C 13 31.190 0.3 . 1 . . . . 35 LYS CB . 18267 1 140 . 1 1 35 35 LYS N N 15 122.721 0.3 . 1 . . . . 35 LYS N . 18267 1 141 . 1 1 36 36 TYR H H 1 7.743 0.020 . 1 . . . . 36 TYR H . 18267 1 142 . 1 1 36 36 TYR C C 13 176.377 0.3 . 1 . . . . 36 TYR C . 18267 1 143 . 1 1 36 36 TYR CA C 13 60.953 0.3 . 1 . . . . 36 TYR CA . 18267 1 144 . 1 1 36 36 TYR CB C 13 36.696 0.3 . 1 . . . . 36 TYR CB . 18267 1 145 . 1 1 36 36 TYR N N 15 121.837 0.3 . 1 . . . . 36 TYR N . 18267 1 146 . 1 1 37 37 ASN H H 1 8.504 0.020 . 1 . . . . 37 ASN H . 18267 1 147 . 1 1 37 37 ASN C C 13 177.607 0.3 . 1 . . . . 37 ASN C . 18267 1 148 . 1 1 37 37 ASN CA C 13 55.213 0.3 . 1 . . . . 37 ASN CA . 18267 1 149 . 1 1 37 37 ASN CB C 13 37.105 0.3 . 1 . . . . 37 ASN CB . 18267 1 150 . 1 1 37 37 ASN N N 15 118.405 0.3 . 1 . . . . 37 ASN N . 18267 1 151 . 1 1 38 38 ALA H H 1 7.742 0.020 . 1 . . . . 38 ALA H . 18267 1 152 . 1 1 38 38 ALA CA C 13 54.713 0.3 . 1 . . . . 38 ALA CA . 18267 1 153 . 1 1 38 38 ALA CB C 13 17.307 0.3 . 1 . . . . 38 ALA CB . 18267 1 154 . 1 1 38 38 ALA N N 15 124.692 0.3 . 1 . . . . 38 ALA N . 18267 1 155 . 1 1 39 39 TYR H H 1 8.339 0.020 . 1 . . . . 39 TYR H . 18267 1 156 . 1 1 39 39 TYR C C 13 178.121 0.3 . 1 . . . . 39 TYR C . 18267 1 157 . 1 1 39 39 TYR CA C 13 60.728 0.3 . 1 . . . . 39 TYR CA . 18267 1 158 . 1 1 39 39 TYR CB C 13 37.471 0.3 . 1 . . . . 39 TYR CB . 18267 1 159 . 1 1 39 39 TYR N N 15 120.258 0.3 . 1 . . . . 39 TYR N . 18267 1 160 . 1 1 40 40 ARG H H 1 8.132 0.020 . 1 . . . . 40 ARG H . 18267 1 161 . 1 1 40 40 ARG C C 13 179.127 0.3 . 1 . . . . 40 ARG C . 18267 1 162 . 1 1 40 40 ARG CA C 13 58.669 0.3 . 1 . . . . 40 ARG CA . 18267 1 163 . 1 1 40 40 ARG CB C 13 28.281 0.3 . 1 . . . . 40 ARG CB . 18267 1 164 . 1 1 40 40 ARG N N 15 119.923 0.3 . 1 . . . . 40 ARG N . 18267 1 165 . 1 1 41 41 LYS H H 1 8.136 0.020 . 1 . . . . 41 LYS H . 18267 1 166 . 1 1 41 41 LYS C C 13 178.810 0.3 . 1 . . . . 41 LYS C . 18267 1 167 . 1 1 41 41 LYS CA C 13 58.636 0.3 . 1 . . . . 41 LYS CA . 18267 1 168 . 1 1 41 41 LYS CB C 13 30.924 0.3 . 1 . . . . 41 LYS CB . 18267 1 169 . 1 1 41 41 LYS N N 15 122.764 0.3 . 1 . . . . 41 LYS N . 18267 1 170 . 1 1 42 42 ALA H H 1 7.664 0.020 . 1 . . . . 42 ALA H . 18267 1 171 . 1 1 42 42 ALA C C 13 178.513 0.3 . 1 . . . . 42 ALA C . 18267 1 172 . 1 1 42 42 ALA CA C 13 54.204 0.3 . 1 . . . . 42 ALA CA . 18267 1 173 . 1 1 42 42 ALA CB C 13 18.350 0.3 . 1 . . . . 42 ALA CB . 18267 1 174 . 1 1 42 42 ALA N N 15 121.971 0.3 . 1 . . . . 42 ALA N . 18267 1 175 . 1 1 43 43 ALA H H 1 8.207 0.020 . 1 . . . . 43 ALA H . 18267 1 176 . 1 1 43 43 ALA C C 13 181.206 0.3 . 1 . . . . 43 ALA C . 18267 1 177 . 1 1 43 43 ALA CA C 13 55.027 0.3 . 1 . . . . 43 ALA CA . 18267 1 178 . 1 1 43 43 ALA CB C 13 17.041 0.3 . 1 . . . . 43 ALA CB . 18267 1 179 . 1 1 43 43 ALA N N 15 120.254 0.3 . 1 . . . . 43 ALA N . 18267 1 180 . 1 1 44 44 SER H H 1 7.711 0.020 . 1 . . . . 44 SER H . 18267 1 181 . 1 1 44 44 SER C C 13 176.670 0.3 . 1 . . . . 44 SER C . 18267 1 182 . 1 1 44 44 SER CA C 13 60.964 0.3 . 1 . . . . 44 SER CA . 18267 1 183 . 1 1 44 44 SER CB C 13 62.694 0.3 . 1 . . . . 44 SER CB . 18267 1 184 . 1 1 44 44 SER N N 15 114.195 0.3 . 1 . . . . 44 SER N . 18267 1 185 . 1 1 45 45 VAL H H 1 7.704 0.020 . 1 . . . . 45 VAL H . 18267 1 186 . 1 1 45 45 VAL C C 13 179.159 0.3 . 1 . . . . 45 VAL C . 18267 1 187 . 1 1 45 45 VAL CA C 13 65.178 0.3 . 1 . . . . 45 VAL CA . 18267 1 188 . 1 1 45 45 VAL CB C 13 31.166 0.3 . 1 . . . . 45 VAL CB . 18267 1 189 . 1 1 45 45 VAL N N 15 122.374 0.3 . 1 . . . . 45 VAL N . 18267 1 190 . 1 1 46 46 ILE H H 1 8.102 0.020 . 1 . . . . 46 ILE H . 18267 1 191 . 1 1 46 46 ILE C C 13 177.978 0.3 . 1 . . . . 46 ILE C . 18267 1 192 . 1 1 46 46 ILE CA C 13 64.351 0.3 . 1 . . . . 46 ILE CA . 18267 1 193 . 1 1 46 46 ILE CB C 13 36.305 0.3 . 1 . . . . 46 ILE CB . 18267 1 194 . 1 1 46 46 ILE N N 15 122.966 0.3 . 1 . . . . 46 ILE N . 18267 1 195 . 1 1 47 47 ALA H H 1 8.261 0.020 . 1 . . . . 47 ALA H . 18267 1 196 . 1 1 47 47 ALA C C 13 179.021 0.3 . 1 . . . . 47 ALA C . 18267 1 197 . 1 1 47 47 ALA CA C 13 54.282 0.3 . 1 . . . . 47 ALA CA . 18267 1 198 . 1 1 47 47 ALA CB C 13 17.828 0.3 . 1 . . . . 47 ALA CB . 18267 1 199 . 1 1 47 47 ALA N N 15 123.191 0.3 . 1 . . . . 47 ALA N . 18267 1 200 . 1 1 48 48 LYS H H 1 6.933 0.020 . 1 . . . . 48 LYS H . 18267 1 201 . 1 1 48 48 LYS C C 13 175.994 0.3 . 1 . . . . 48 LYS C . 18267 1 202 . 1 1 48 48 LYS CA C 13 55.120 0.3 . 1 . . . . 48 LYS CA . 18267 1 203 . 1 1 48 48 LYS CB C 13 32.368 0.3 . 1 . . . . 48 LYS CB . 18267 1 204 . 1 1 48 48 LYS N N 15 114.935 0.3 . 1 . . . . 48 LYS N . 18267 1 205 . 1 1 49 49 TYR H H 1 7.547 0.020 . 1 . . . . 49 TYR H . 18267 1 206 . 1 1 49 49 TYR CA C 13 55.055 0.3 . 1 . . . . 49 TYR CA . 18267 1 207 . 1 1 49 49 TYR CB C 13 38.908 0.3 . 1 . . . . 49 TYR CB . 18267 1 208 . 1 1 49 49 TYR N N 15 127.265 0.3 . 1 . . . . 49 TYR N . 18267 1 209 . 1 1 50 50 PRO C C 13 174.272 0.3 . 1 . . . . 50 PRO C . 18267 1 210 . 1 1 50 50 PRO CA C 13 63.571 0.3 . 1 . . . . 50 PRO CA . 18267 1 211 . 1 1 50 50 PRO CB C 13 30.380 0.3 . 1 . . . . 50 PRO CB . 18267 1 212 . 1 1 51 51 HIS H H 1 6.032 0.020 . 1 . . . . 51 HIS H . 18267 1 213 . 1 1 51 51 HIS C C 13 173.972 0.3 . 1 . . . . 51 HIS C . 18267 1 214 . 1 1 51 51 HIS CA C 13 53.188 0.3 . 1 . . . . 51 HIS CA . 18267 1 215 . 1 1 51 51 HIS CB C 13 32.548 0.3 . 1 . . . . 51 HIS CB . 18267 1 216 . 1 1 51 51 HIS N N 15 117.230 0.3 . 1 . . . . 51 HIS N . 18267 1 217 . 1 1 52 52 LYS H H 1 8.884 0.020 . 1 . . . . 52 LYS H . 18267 1 218 . 1 1 52 52 LYS C C 13 176.274 0.3 . 1 . . . . 52 LYS C . 18267 1 219 . 1 1 52 52 LYS CA C 13 56.365 0.3 . 1 . . . . 52 LYS CA . 18267 1 220 . 1 1 52 52 LYS CB C 13 31.946 0.3 . 1 . . . . 52 LYS CB . 18267 1 221 . 1 1 52 52 LYS N N 15 124.163 0.3 . 1 . . . . 52 LYS N . 18267 1 222 . 1 1 53 53 ILE H H 1 9.291 0.020 . 1 . . . . 53 ILE H . 18267 1 223 . 1 1 53 53 ILE C C 13 176.241 0.3 . 1 . . . . 53 ILE C . 18267 1 224 . 1 1 53 53 ILE CA C 13 60.954 0.3 . 1 . . . . 53 ILE CA . 18267 1 225 . 1 1 53 53 ILE CB C 13 37.032 0.3 . 1 . . . . 53 ILE CB . 18267 1 226 . 1 1 53 53 ILE N N 15 132.138 0.3 . 1 . . . . 53 ILE N . 18267 1 227 . 1 1 54 54 LYS H H 1 9.069 0.020 . 1 . . . . 54 LYS H . 18267 1 228 . 1 1 54 54 LYS C C 13 175.772 0.3 . 1 . . . . 54 LYS C . 18267 1 229 . 1 1 54 54 LYS CA C 13 55.786 0.3 . 1 . . . . 54 LYS CA . 18267 1 230 . 1 1 54 54 LYS CB C 13 32.302 0.3 . 1 . . . . 54 LYS CB . 18267 1 231 . 1 1 54 54 LYS N N 15 127.054 0.3 . 1 . . . . 54 LYS N . 18267 1 232 . 1 1 55 55 SER H H 1 7.401 0.020 . 1 . . . . 55 SER H . 18267 1 233 . 1 1 55 55 SER C C 13 173.835 0.3 . 1 . . . . 55 SER C . 18267 1 234 . 1 1 55 55 SER CA C 13 56.880 0.3 . 1 . . . . 55 SER CA . 18267 1 235 . 1 1 55 55 SER CB C 13 65.157 0.3 . 1 . . . . 55 SER CB . 18267 1 236 . 1 1 55 55 SER N N 15 112.409 0.3 . 1 . . . . 55 SER N . 18267 1 237 . 1 1 56 56 GLY H H 1 9.895 0.020 . 1 . . . . 56 GLY H . 18267 1 238 . 1 1 56 56 GLY C C 13 175.391 0.3 . 1 . . . . 56 GLY C . 18267 1 239 . 1 1 56 56 GLY CA C 13 47.076 0.3 . 1 . . . . 56 GLY CA . 18267 1 240 . 1 1 56 56 GLY N N 15 113.154 0.3 . 1 . . . . 56 GLY N . 18267 1 241 . 1 1 57 57 ALA H H 1 8.397 0.020 . 1 . . . . 57 ALA H . 18267 1 242 . 1 1 57 57 ALA C C 13 180.266 0.3 . 1 . . . . 57 ALA C . 18267 1 243 . 1 1 57 57 ALA CA C 13 54.683 0.3 . 1 . . . . 57 ALA CA . 18267 1 244 . 1 1 57 57 ALA CB C 13 17.198 0.3 . 1 . . . . 57 ALA CB . 18267 1 245 . 1 1 57 57 ALA N N 15 124.537 0.3 . 1 . . . . 57 ALA N . 18267 1 246 . 1 1 58 58 GLU H H 1 7.501 0.020 . 1 . . . . 58 GLU H . 18267 1 247 . 1 1 58 58 GLU C C 13 178.542 0.3 . 1 . . . . 58 GLU C . 18267 1 248 . 1 1 58 58 GLU CA C 13 57.984 0.3 . 1 . . . . 58 GLU CA . 18267 1 249 . 1 1 58 58 GLU CB C 13 29.409 0.3 . 1 . . . . 58 GLU CB . 18267 1 250 . 1 1 58 58 GLU N N 15 117.953 0.3 . 1 . . . . 58 GLU N . 18267 1 251 . 1 1 59 59 ALA H H 1 7.276 0.020 . 1 . . . . 59 ALA H . 18267 1 252 . 1 1 59 59 ALA C C 13 177.310 0.3 . 1 . . . . 59 ALA C . 18267 1 253 . 1 1 59 59 ALA CA C 13 53.268 0.3 . 1 . . . . 59 ALA CA . 18267 1 254 . 1 1 59 59 ALA CB C 13 18.099 0.3 . 1 . . . . 59 ALA CB . 18267 1 255 . 1 1 59 59 ALA N N 15 121.334 0.3 . 1 . . . . 59 ALA N . 18267 1 256 . 1 1 60 60 LYS H H 1 7.797 0.020 . 1 . . . . 60 LYS H . 18267 1 257 . 1 1 60 60 LYS C C 13 176.325 0.3 . 1 . . . . 60 LYS C . 18267 1 258 . 1 1 60 60 LYS CA C 13 57.389 0.3 . 1 . . . . 60 LYS CA . 18267 1 259 . 1 1 60 60 LYS CB C 13 31.210 0.3 . 1 . . . . 60 LYS CB . 18267 1 260 . 1 1 60 60 LYS N N 15 115.670 0.3 . 1 . . . . 60 LYS N . 18267 1 261 . 1 1 61 61 LYS H H 1 6.943 0.020 . 1 . . . . 61 LYS H . 18267 1 262 . 1 1 61 61 LYS C C 13 176.591 0.3 . 1 . . . . 61 LYS C . 18267 1 263 . 1 1 61 61 LYS CA C 13 56.177 0.3 . 1 . . . . 61 LYS CA . 18267 1 264 . 1 1 61 61 LYS CB C 13 31.374 0.3 . 1 . . . . 61 LYS CB . 18267 1 265 . 1 1 61 61 LYS N N 15 116.578 0.3 . 1 . . . . 61 LYS N . 18267 1 266 . 1 1 62 62 LEU H H 1 7.644 0.020 . 1 . . . . 62 LEU H . 18267 1 267 . 1 1 62 62 LEU CA C 13 52.147 0.3 . 1 . . . . 62 LEU CA . 18267 1 268 . 1 1 62 62 LEU CB C 13 39.022 0.3 . 1 . . . . 62 LEU CB . 18267 1 269 . 1 1 62 62 LEU N N 15 124.086 0.3 . 1 . . . . 62 LEU N . 18267 1 270 . 1 1 63 63 PRO C C 13 177.087 0.3 . 1 . . . . 63 PRO C . 18267 1 271 . 1 1 63 63 PRO CA C 13 62.968 0.3 . 1 . . . . 63 PRO CA . 18267 1 272 . 1 1 63 63 PRO CB C 13 30.642 0.3 . 1 . . . . 63 PRO CB . 18267 1 273 . 1 1 64 64 GLY H H 1 8.418 0.020 . 1 . . . . 64 GLY H . 18267 1 274 . 1 1 64 64 GLY C C 13 173.938 0.3 . 1 . . . . 64 GLY C . 18267 1 275 . 1 1 64 64 GLY CA C 13 44.352 0.3 . 1 . . . . 64 GLY CA . 18267 1 276 . 1 1 64 64 GLY N N 15 110.889 0.3 . 1 . . . . 64 GLY N . 18267 1 277 . 1 1 65 65 VAL H H 1 7.461 0.020 . 1 . . . . 65 VAL H . 18267 1 278 . 1 1 65 65 VAL C C 13 174.857 0.3 . 1 . . . . 65 VAL C . 18267 1 279 . 1 1 65 65 VAL CA C 13 62.559 0.3 . 1 . . . . 65 VAL CA . 18267 1 280 . 1 1 65 65 VAL CB C 13 29.604 0.3 . 1 . . . . 65 VAL CB . 18267 1 281 . 1 1 65 65 VAL N N 15 122.487 0.3 . 1 . . . . 65 VAL N . 18267 1 282 . 1 1 66 66 GLY H H 1 7.347 0.020 . 1 . . . . 66 GLY H . 18267 1 283 . 1 1 66 66 GLY CA C 13 44.074 0.3 . 1 . . . . 66 GLY CA . 18267 1 284 . 1 1 66 66 GLY N N 15 110.645 0.3 . 1 . . . . 66 GLY N . 18267 1 285 . 1 1 68 68 LYS C C 13 179.702 0.3 . 1 . . . . 68 LYS C . 18267 1 286 . 1 1 68 68 LYS CA C 13 58.244 0.3 . 1 . . . . 68 LYS CA . 18267 1 287 . 1 1 68 68 LYS CB C 13 30.099 0.3 . 1 . . . . 68 LYS CB . 18267 1 288 . 1 1 69 69 ILE H H 1 7.712 0.020 . 1 . . . . 69 ILE H . 18267 1 289 . 1 1 69 69 ILE CA C 13 64.472 0.3 . 1 . . . . 69 ILE CA . 18267 1 290 . 1 1 69 69 ILE CB C 13 35.555 0.3 . 1 . . . . 69 ILE CB . 18267 1 291 . 1 1 69 69 ILE N N 15 121.269 0.3 . 1 . . . . 69 ILE N . 18267 1 292 . 1 1 70 70 ALA H H 1 8.064 0.020 . 1 . . . . 70 ALA H . 18267 1 293 . 1 1 70 70 ALA C C 13 178.738 0.3 . 1 . . . . 70 ALA C . 18267 1 294 . 1 1 70 70 ALA CA C 13 55.357 0.3 . 1 . . . . 70 ALA CA . 18267 1 295 . 1 1 70 70 ALA CB C 13 17.494 0.3 . 1 . . . . 70 ALA CB . 18267 1 296 . 1 1 70 70 ALA N N 15 123.903 0.3 . 1 . . . . 70 ALA N . 18267 1 297 . 1 1 71 71 GLU H H 1 7.801 0.020 . 1 . . . . 71 GLU H . 18267 1 298 . 1 1 71 71 GLU C C 13 179.850 0.3 . 1 . . . . 71 GLU C . 18267 1 299 . 1 1 71 71 GLU CA C 13 58.912 0.3 . 1 . . . . 71 GLU CA . 18267 1 300 . 1 1 71 71 GLU CB C 13 28.800 0.3 . 1 . . . . 71 GLU CB . 18267 1 301 . 1 1 71 71 GLU N N 15 118.351 0.3 . 1 . . . . 71 GLU N . 18267 1 302 . 1 1 72 72 LYS H H 1 7.373 0.020 . 1 . . . . 72 LYS H . 18267 1 303 . 1 1 72 72 LYS C C 13 179.388 0.3 . 1 . . . . 72 LYS C . 18267 1 304 . 1 1 72 72 LYS CA C 13 57.217 0.3 . 1 . . . . 72 LYS CA . 18267 1 305 . 1 1 72 72 LYS CB C 13 30.017 0.3 . 1 . . . . 72 LYS CB . 18267 1 306 . 1 1 72 72 LYS N N 15 120.756 0.3 . 1 . . . . 72 LYS N . 18267 1 307 . 1 1 73 73 ILE H H 1 8.067 0.020 . 1 . . . . 73 ILE H . 18267 1 308 . 1 1 73 73 ILE CA C 13 65.993 0.3 . 1 . . . . 73 ILE CA . 18267 1 309 . 1 1 73 73 ILE CB C 13 36.677 0.3 . 1 . . . . 73 ILE CB . 18267 1 310 . 1 1 73 73 ILE N N 15 121.924 0.3 . 1 . . . . 73 ILE N . 18267 1 311 . 1 1 74 74 ASP H H 1 8.245 0.020 . 1 . . . . 74 ASP H . 18267 1 312 . 1 1 74 74 ASP C C 13 178.855 0.3 . 1 . . . . 74 ASP C . 18267 1 313 . 1 1 74 74 ASP CA C 13 57.990 0.3 . 1 . . . . 74 ASP CA . 18267 1 314 . 1 1 74 74 ASP CB C 13 40.340 0.3 . 1 . . . . 74 ASP CB . 18267 1 315 . 1 1 74 74 ASP N N 15 121.082 0.3 . 1 . . . . 74 ASP N . 18267 1 316 . 1 1 75 75 GLU H H 1 7.873 0.020 . 1 . . . . 75 GLU H . 18267 1 317 . 1 1 75 75 GLU C C 13 179.082 0.3 . 1 . . . . 75 GLU C . 18267 1 318 . 1 1 75 75 GLU CA C 13 58.951 0.3 . 1 . . . . 75 GLU CA . 18267 1 319 . 1 1 75 75 GLU CB C 13 28.773 0.3 . 1 . . . . 75 GLU CB . 18267 1 320 . 1 1 75 75 GLU N N 15 121.888 0.3 . 1 . . . . 75 GLU N . 18267 1 321 . 1 1 76 76 PHE H H 1 8.198 0.020 . 1 . . . . 76 PHE H . 18267 1 322 . 1 1 76 76 PHE C C 13 178.528 0.3 . 1 . . . . 76 PHE C . 18267 1 323 . 1 1 76 76 PHE CA C 13 60.219 0.3 . 1 . . . . 76 PHE CA . 18267 1 324 . 1 1 76 76 PHE CB C 13 39.309 0.3 . 1 . . . . 76 PHE CB . 18267 1 325 . 1 1 76 76 PHE N N 15 123.346 0.3 . 1 . . . . 76 PHE N . 18267 1 326 . 1 1 77 77 LEU H H 1 8.712 0.020 . 1 . . . . 77 LEU H . 18267 1 327 . 1 1 77 77 LEU C C 13 178.692 0.3 . 1 . . . . 77 LEU C . 18267 1 328 . 1 1 77 77 LEU CA C 13 56.367 0.3 . 1 . . . . 77 LEU CA . 18267 1 329 . 1 1 77 77 LEU CB C 13 40.621 0.3 . 1 . . . . 77 LEU CB . 18267 1 330 . 1 1 77 77 LEU N N 15 121.565 0.3 . 1 . . . . 77 LEU N . 18267 1 331 . 1 1 78 78 ALA H H 1 7.902 0.020 . 1 . . . . 78 ALA H . 18267 1 332 . 1 1 78 78 ALA C C 13 179.419 0.3 . 1 . . . . 78 ALA C . 18267 1 333 . 1 1 78 78 ALA CA C 13 53.836 0.3 . 1 . . . . 78 ALA CA . 18267 1 334 . 1 1 78 78 ALA CB C 13 18.066 0.3 . 1 . . . . 78 ALA CB . 18267 1 335 . 1 1 78 78 ALA N N 15 121.884 0.3 . 1 . . . . 78 ALA N . 18267 1 336 . 1 1 79 79 THR H H 1 7.810 0.020 . 1 . . . . 79 THR H . 18267 1 337 . 1 1 79 79 THR C C 13 175.825 0.3 . 1 . . . . 79 THR C . 18267 1 338 . 1 1 79 79 THR CA C 13 62.448 0.3 . 1 . . . . 79 THR CA . 18267 1 339 . 1 1 79 79 THR CB C 13 70.149 0.3 . 1 . . . . 79 THR CB . 18267 1 340 . 1 1 79 79 THR N N 15 109.897 0.3 . 1 . . . . 79 THR N . 18267 1 341 . 1 1 80 80 GLY H H 1 8.070 0.020 . 1 . . . . 80 GLY H . 18267 1 342 . 1 1 80 80 GLY C C 13 173.835 0.3 . 1 . . . . 80 GLY C . 18267 1 343 . 1 1 80 80 GLY CA C 13 45.370 0.3 . 1 . . . . 80 GLY CA . 18267 1 344 . 1 1 80 80 GLY N N 15 112.752 0.3 . 1 . . . . 80 GLY N . 18267 1 345 . 1 1 81 81 LYS H H 1 7.812 0.020 . 1 . . . . 81 LYS H . 18267 1 346 . 1 1 81 81 LYS C C 13 175.460 0.3 . 1 . . . . 81 LYS C . 18267 1 347 . 1 1 81 81 LYS CA C 13 55.865 0.3 . 1 . . . . 81 LYS CA . 18267 1 348 . 1 1 81 81 LYS CB C 13 32.953 0.3 . 1 . . . . 81 LYS CB . 18267 1 349 . 1 1 81 81 LYS N N 15 120.791 0.3 . 1 . . . . 81 LYS N . 18267 1 350 . 1 1 82 82 LEU H H 1 7.987 0.020 . 1 . . . . 82 LEU H . 18267 1 351 . 1 1 82 82 LEU C C 13 177.679 0.3 . 1 . . . . 82 LEU C . 18267 1 352 . 1 1 82 82 LEU CA C 13 54.343 0.3 . 1 . . . . 82 LEU CA . 18267 1 353 . 1 1 82 82 LEU CB C 13 41.841 0.3 . 1 . . . . 82 LEU CB . 18267 1 354 . 1 1 82 82 LEU N N 15 120.862 0.3 . 1 . . . . 82 LEU N . 18267 1 355 . 1 1 83 83 ARG H H 1 8.426 0.020 . 1 . . . . 83 ARG H . 18267 1 356 . 1 1 83 83 ARG CA C 13 54.521 0.3 . 1 . . . . 83 ARG CA . 18267 1 357 . 1 1 83 83 ARG N N 15 124.880 0.3 . 1 . . . . 83 ARG N . 18267 1 358 . 1 1 84 84 LYS CA C 13 56.058 0.3 . 1 . . . . 84 LYS CA . 18267 1 359 . 1 1 85 85 LEU H H 1 8.138 0.020 . 1 . . . . 85 LEU H . 18267 1 360 . 1 1 85 85 LEU C C 13 177.557 0.3 . 1 . . . . 85 LEU C . 18267 1 361 . 1 1 85 85 LEU CA C 13 54.867 0.3 . 1 . . . . 85 LEU CA . 18267 1 362 . 1 1 85 85 LEU CB C 13 41.096 0.3 . 1 . . . . 85 LEU CB . 18267 1 363 . 1 1 85 85 LEU N N 15 124.661 0.3 . 1 . . . . 85 LEU N . 18267 1 364 . 1 1 86 86 GLU H H 1 8.088 0.020 . 1 . . . . 86 GLU H . 18267 1 365 . 1 1 86 86 GLU C C 13 176.946 0.3 . 1 . . . . 86 GLU C . 18267 1 366 . 1 1 86 86 GLU CA C 13 56.650 0.3 . 1 . . . . 86 GLU CA . 18267 1 367 . 1 1 86 86 GLU CB C 13 29.362 0.3 . 1 . . . . 86 GLU CB . 18267 1 368 . 1 1 86 86 GLU N N 15 122.558 0.3 . 1 . . . . 86 GLU N . 18267 1 369 . 1 1 87 87 LYS H H 1 8.081 0.020 . 1 . . . . 87 LYS H . 18267 1 370 . 1 1 87 87 LYS C C 13 176.977 0.3 . 1 . . . . 87 LYS C . 18267 1 371 . 1 1 87 87 LYS CA C 13 56.397 0.3 . 1 . . . . 87 LYS CA . 18267 1 372 . 1 1 87 87 LYS CB C 13 31.710 0.3 . 1 . . . . 87 LYS CB . 18267 1 373 . 1 1 87 87 LYS N N 15 123.030 0.3 . 1 . . . . 87 LYS N . 18267 1 374 . 1 1 88 88 ILE H H 1 7.909 0.020 . 1 . . . . 88 ILE H . 18267 1 375 . 1 1 88 88 ILE C C 13 176.663 0.3 . 1 . . . . 88 ILE C . 18267 1 376 . 1 1 88 88 ILE CA C 13 61.433 0.3 . 1 . . . . 88 ILE CA . 18267 1 377 . 1 1 88 88 ILE CB C 13 37.586 0.3 . 1 . . . . 88 ILE CB . 18267 1 378 . 1 1 88 88 ILE N N 15 122.810 0.3 . 1 . . . . 88 ILE N . 18267 1 379 . 1 1 89 89 ARG H H 1 8.209 0.020 . 1 . . . . 89 ARG H . 18267 1 380 . 1 1 89 89 ARG CA C 13 56.167 0.3 . 1 . . . . 89 ARG CA . 18267 1 381 . 1 1 89 89 ARG CB C 13 29.744 0.3 . 1 . . . . 89 ARG CB . 18267 1 382 . 1 1 89 89 ARG N N 15 125.413 0.3 . 1 . . . . 89 ARG N . 18267 1 383 . 1 1 90 90 GLN C C 13 176.794 0.3 . 1 . . . . 90 GLN C . 18267 1 384 . 1 1 90 90 GLN CA C 13 57.071 0.3 . 1 . . . . 90 GLN CA . 18267 1 385 . 1 1 90 90 GLN CB C 13 29.235 0.3 . 1 . . . . 90 GLN CB . 18267 1 386 . 1 1 91 91 ASP H H 1 8.191 0.020 . 1 . . . . 91 ASP H . 18267 1 387 . 1 1 91 91 ASP C C 13 176.419 0.3 . 1 . . . . 91 ASP C . 18267 1 388 . 1 1 91 91 ASP CA C 13 58.092 0.3 . 1 . . . . 91 ASP CA . 18267 1 389 . 1 1 91 91 ASP CB C 13 38.355 0.3 . 1 . . . . 91 ASP CB . 18267 1 390 . 1 1 91 91 ASP N N 15 121.784 0.3 . 1 . . . . 91 ASP N . 18267 1 391 . 1 1 92 92 ASP H H 1 7.923 0.020 . 1 . . . . 92 ASP H . 18267 1 392 . 1 1 92 92 ASP CA C 13 55.083 0.3 . 1 . . . . 92 ASP CA . 18267 1 393 . 1 1 92 92 ASP CB C 13 41.246 0.3 . 1 . . . . 92 ASP CB . 18267 1 394 . 1 1 92 92 ASP N N 15 123.827 0.3 . 1 . . . . 92 ASP N . 18267 1 395 . 1 1 93 93 THR C C 13 176.108 0.3 . 1 . . . . 93 THR C . 18267 1 396 . 1 1 93 93 THR CA C 13 58.571 0.3 . 1 . . . . 93 THR CA . 18267 1 397 . 1 1 94 94 SER H H 1 7.849 0.020 . 1 . . . . 94 SER H . 18267 1 398 . 1 1 94 94 SER C C 13 175.543 0.3 . 1 . . . . 94 SER C . 18267 1 399 . 1 1 94 94 SER CA C 13 57.962 0.3 . 1 . . . . 94 SER CA . 18267 1 400 . 1 1 94 94 SER CB C 13 65.934 0.3 . 1 . . . . 94 SER CB . 18267 1 401 . 1 1 94 94 SER N N 15 119.668 0.3 . 1 . . . . 94 SER N . 18267 1 402 . 1 1 95 95 SER H H 1 7.615 0.020 . 1 . . . . 95 SER H . 18267 1 403 . 1 1 95 95 SER C C 13 172.938 0.3 . 1 . . . . 95 SER C . 18267 1 404 . 1 1 95 95 SER CA C 13 57.205 0.3 . 1 . . . . 95 SER CA . 18267 1 405 . 1 1 95 95 SER CB C 13 65.714 0.3 . 1 . . . . 95 SER CB . 18267 1 406 . 1 1 95 95 SER N N 15 114.022 0.3 . 1 . . . . 95 SER N . 18267 1 407 . 1 1 96 96 SER H H 1 8.883 0.020 . 1 . . . . 96 SER H . 18267 1 408 . 1 1 96 96 SER C C 13 179.998 0.3 . 1 . . . . 96 SER C . 18267 1 409 . 1 1 96 96 SER CA C 13 58.056 0.3 . 1 . . . . 96 SER CA . 18267 1 410 . 1 1 96 96 SER CB C 13 67.568 0.3 . 1 . . . . 96 SER CB . 18267 1 411 . 1 1 96 96 SER N N 15 117.721 0.3 . 1 . . . . 96 SER N . 18267 1 412 . 1 1 97 97 ILE H H 1 7.849 0.020 . 1 . . . . 97 ILE H . 18267 1 413 . 1 1 97 97 ILE CA C 13 62.129 0.3 . 1 . . . . 97 ILE CA . 18267 1 414 . 1 1 97 97 ILE CB C 13 34.188 0.3 . 1 . . . . 97 ILE CB . 18267 1 415 . 1 1 97 97 ILE N N 15 123.588 0.3 . 1 . . . . 97 ILE N . 18267 1 416 . 1 1 98 98 ASN C C 13 175.086 0.3 . 1 . . . . 98 ASN C . 18267 1 417 . 1 1 98 98 ASN CA C 13 50.685 0.3 . 1 . . . . 98 ASN CA . 18267 1 418 . 1 1 98 98 ASN CB C 13 36.199 0.3 . 1 . . . . 98 ASN CB . 18267 1 419 . 1 1 99 99 PHE H H 1 8.329 0.020 . 1 . . . . 99 PHE H . 18267 1 420 . 1 1 99 99 PHE CA C 13 60.705 0.3 . 1 . . . . 99 PHE CA . 18267 1 421 . 1 1 99 99 PHE CB C 13 39.497 0.3 . 1 . . . . 99 PHE CB . 18267 1 422 . 1 1 99 99 PHE N N 15 118.777 0.3 . 1 . . . . 99 PHE N . 18267 1 423 . 1 1 100 100 LEU H H 1 8.366 0.020 . 1 . . . . 100 LEU H . 18267 1 424 . 1 1 100 100 LEU CA C 13 55.691 0.3 . 1 . . . . 100 LEU CA . 18267 1 425 . 1 1 100 100 LEU CB C 13 39.199 0.3 . 1 . . . . 100 LEU CB . 18267 1 426 . 1 1 100 100 LEU N N 15 127.463 0.3 . 1 . . . . 100 LEU N . 18267 1 427 . 1 1 103 103 VAL C C 13 174.606 0.3 . 1 . . . . 103 VAL C . 18267 1 428 . 1 1 104 104 THR H H 1 9.139 0.020 . 1 . . . . 104 THR H . 18267 1 429 . 1 1 104 104 THR C C 13 172.615 0.3 . 1 . . . . 104 THR C . 18267 1 430 . 1 1 104 104 THR CA C 13 64.172 0.3 . 1 . . . . 104 THR CA . 18267 1 431 . 1 1 104 104 THR CB C 13 70.375 0.3 . 1 . . . . 104 THR CB . 18267 1 432 . 1 1 104 104 THR N N 15 129.170 0.3 . 1 . . . . 104 THR N . 18267 1 433 . 1 1 105 105 GLY H H 1 8.029 0.020 . 1 . . . . 105 GLY H . 18267 1 434 . 1 1 105 105 GLY CA C 13 43.487 0.3 . 1 . . . . 105 GLY CA . 18267 1 435 . 1 1 105 105 GLY N N 15 112.382 0.3 . 1 . . . . 105 GLY N . 18267 1 436 . 1 1 110 110 ALA C C 13 174.244 0.3 . 1 . . . . 110 ALA C . 18267 1 437 . 1 1 110 110 ALA CA C 13 53.729 0.3 . 1 . . . . 110 ALA CA . 18267 1 438 . 1 1 111 111 ALA H H 1 9.330 0.020 . 1 . . . . 111 ALA H . 18267 1 439 . 1 1 111 111 ALA C C 13 177.084 0.3 . 1 . . . . 111 ALA C . 18267 1 440 . 1 1 111 111 ALA CA C 13 55.798 0.3 . 1 . . . . 111 ALA CA . 18267 1 441 . 1 1 111 111 ALA N N 15 128.430 0.3 . 1 . . . . 111 ALA N . 18267 1 442 . 1 1 112 112 ARG H H 1 8.270 0.020 . 1 . . . . 112 ARG H . 18267 1 443 . 1 1 112 112 ARG C C 13 176.459 0.3 . 1 . . . . 112 ARG C . 18267 1 444 . 1 1 112 112 ARG CA C 13 55.559 0.3 . 1 . . . . 112 ARG CA . 18267 1 445 . 1 1 112 112 ARG CB C 13 31.946 0.3 . 1 . . . . 112 ARG CB . 18267 1 446 . 1 1 112 112 ARG N N 15 124.338 0.3 . 1 . . . . 112 ARG N . 18267 1 447 . 1 1 113 113 LYS H H 1 8.141 0.020 . 1 . . . . 113 LYS H . 18267 1 448 . 1 1 113 113 LYS C C 13 175.925 0.3 . 1 . . . . 113 LYS C . 18267 1 449 . 1 1 113 113 LYS CA C 13 60.712 0.3 . 1 . . . . 113 LYS CA . 18267 1 450 . 1 1 113 113 LYS CB C 13 37.852 0.3 . 1 . . . . 113 LYS CB . 18267 1 451 . 1 1 113 113 LYS N N 15 124.228 0.3 . 1 . . . . 113 LYS N . 18267 1 452 . 1 1 114 114 LEU H H 1 8.258 0.020 . 1 . . . . 114 LEU H . 18267 1 453 . 1 1 114 114 LEU CA C 13 54.166 0.3 . 1 . . . . 114 LEU CA . 18267 1 454 . 1 1 114 114 LEU CB C 13 40.579 0.3 . 1 . . . . 114 LEU CB . 18267 1 455 . 1 1 114 114 LEU N N 15 125.522 0.3 . 1 . . . . 114 LEU N . 18267 1 456 . 1 1 116 116 ASP C C 13 175.661 0.3 . 1 . . . . 116 ASP C . 18267 1 457 . 1 1 116 116 ASP CA C 13 58.647 0.3 . 1 . . . . 116 ASP CA . 18267 1 458 . 1 1 117 117 GLU H H 1 8.517 0.020 . 1 . . . . 117 GLU H . 18267 1 459 . 1 1 117 117 GLU C C 13 176.166 0.3 . 1 . . . . 117 GLU C . 18267 1 460 . 1 1 117 117 GLU CA C 13 55.995 0.3 . 1 . . . . 117 GLU CA . 18267 1 461 . 1 1 117 117 GLU CB C 13 28.807 0.3 . 1 . . . . 117 GLU CB . 18267 1 462 . 1 1 117 117 GLU N N 15 125.733 0.3 . 1 . . . . 117 GLU N . 18267 1 463 . 1 1 118 118 GLY H H 1 8.007 0.020 . 1 . . . . 118 GLY H . 18267 1 464 . 1 1 118 118 GLY CA C 13 44.995 0.3 . 1 . . . . 118 GLY CA . 18267 1 465 . 1 1 118 118 GLY N N 15 109.226 0.3 . 1 . . . . 118 GLY N . 18267 1 466 . 1 1 119 119 ILE H H 1 7.806 0.020 . 1 . . . . 119 ILE H . 18267 1 467 . 1 1 119 119 ILE C C 13 172.969 0.3 . 1 . . . . 119 ILE C . 18267 1 468 . 1 1 119 119 ILE CA C 13 60.708 0.3 . 1 . . . . 119 ILE CA . 18267 1 469 . 1 1 119 119 ILE CB C 13 37.586 0.3 . 1 . . . . 119 ILE CB . 18267 1 470 . 1 1 119 119 ILE N N 15 121.615 0.3 . 1 . . . . 119 ILE N . 18267 1 471 . 1 1 120 120 LYS H H 1 8.724 0.020 . 1 . . . . 120 LYS H . 18267 1 472 . 1 1 120 120 LYS CB C 13 35.597 0.3 . 1 . . . . 120 LYS CB . 18267 1 473 . 1 1 120 120 LYS N N 15 122.868 0.3 . 1 . . . . 120 LYS N . 18267 1 474 . 1 1 121 121 THR C C 13 174.857 0.3 . 1 . . . . 121 THR C . 18267 1 475 . 1 1 121 121 THR CB C 13 72.443 0.3 . 1 . . . . 121 THR CB . 18267 1 476 . 1 1 122 122 LEU H H 1 8.456 0.020 . 1 . . . . 122 LEU H . 18267 1 477 . 1 1 122 122 LEU C C 13 178.640 0.3 . 1 . . . . 122 LEU C . 18267 1 478 . 1 1 122 122 LEU CA C 13 57.495 0.3 . 1 . . . . 122 LEU CA . 18267 1 479 . 1 1 122 122 LEU CB C 13 40.080 0.3 . 1 . . . . 122 LEU CB . 18267 1 480 . 1 1 122 122 LEU N N 15 121.928 0.3 . 1 . . . . 122 LEU N . 18267 1 481 . 1 1 123 123 GLU H H 1 8.113 0.020 . 1 . . . . 123 GLU H . 18267 1 482 . 1 1 123 123 GLU C C 13 179.159 0.3 . 1 . . . . 123 GLU C . 18267 1 483 . 1 1 123 123 GLU CA C 13 59.258 0.3 . 1 . . . . 123 GLU CA . 18267 1 484 . 1 1 123 123 GLU CB C 13 28.067 0.3 . 1 . . . . 123 GLU CB . 18267 1 485 . 1 1 123 123 GLU N N 15 119.012 0.3 . 1 . . . . 123 GLU N . 18267 1 486 . 1 1 124 124 ASP H H 1 7.764 0.020 . 1 . . . . 124 ASP H . 18267 1 487 . 1 1 124 124 ASP CA C 13 56.562 0.3 . 1 . . . . 124 ASP CA . 18267 1 488 . 1 1 124 124 ASP CB C 13 41.163 0.3 . 1 . . . . 124 ASP CB . 18267 1 489 . 1 1 124 124 ASP N N 15 120.432 0.3 . 1 . . . . 124 ASP N . 18267 1 490 . 1 1 125 125 LEU C C 13 178.172 0.3 . 1 . . . . 125 LEU C . 18267 1 491 . 1 1 125 125 LEU CB C 13 41.015 0.3 . 1 . . . . 125 LEU CB . 18267 1 492 . 1 1 126 126 ARG H H 1 7.896 0.020 . 1 . . . . 126 ARG H . 18267 1 493 . 1 1 126 126 ARG C C 13 178.879 0.3 . 1 . . . . 126 ARG C . 18267 1 494 . 1 1 126 126 ARG CA C 13 58.938 0.3 . 1 . . . . 126 ARG CA . 18267 1 495 . 1 1 126 126 ARG N N 15 117.300 0.3 . 1 . . . . 126 ARG N . 18267 1 496 . 1 1 127 127 LYS H H 1 7.420 0.020 . 1 . . . . 127 LYS H . 18267 1 497 . 1 1 127 127 LYS C C 13 176.398 0.3 . 1 . . . . 127 LYS C . 18267 1 498 . 1 1 127 127 LYS CA C 13 56.932 0.3 . 1 . . . . 127 LYS CA . 18267 1 499 . 1 1 127 127 LYS CB C 13 31.888 0.3 . 1 . . . . 127 LYS CB . 18267 1 500 . 1 1 127 127 LYS N N 15 118.950 0.3 . 1 . . . . 127 LYS N . 18267 1 501 . 1 1 128 128 ASN H H 1 7.568 0.020 . 1 . . . . 128 ASN H . 18267 1 502 . 1 1 128 128 ASN C C 13 174.949 0.3 . 1 . . . . 128 ASN C . 18267 1 503 . 1 1 128 128 ASN CA C 13 52.629 0.3 . 1 . . . . 128 ASN CA . 18267 1 504 . 1 1 128 128 ASN CB C 13 39.918 0.3 . 1 . . . . 128 ASN CB . 18267 1 505 . 1 1 128 128 ASN N N 15 120.440 0.3 . 1 . . . . 128 ASN N . 18267 1 506 . 1 1 129 129 GLU H H 1 7.627 0.020 . 1 . . . . 129 GLU H . 18267 1 507 . 1 1 129 129 GLU C C 13 177.243 0.3 . 1 . . . . 129 GLU C . 18267 1 508 . 1 1 129 129 GLU CA C 13 59.733 0.3 . 1 . . . . 129 GLU CA . 18267 1 509 . 1 1 129 129 GLU CB C 13 28.455 0.3 . 1 . . . . 129 GLU CB . 18267 1 510 . 1 1 129 129 GLU N N 15 120.666 0.3 . 1 . . . . 129 GLU N . 18267 1 511 . 1 1 130 130 ASP H H 1 8.611 0.020 . 1 . . . . 130 ASP H . 18267 1 512 . 1 1 130 130 ASP C C 13 177.167 0.3 . 1 . . . . 130 ASP C . 18267 1 513 . 1 1 130 130 ASP CA C 13 55.218 0.3 . 1 . . . . 130 ASP CA . 18267 1 514 . 1 1 130 130 ASP CB C 13 38.828 0.3 . 1 . . . . 130 ASP CB . 18267 1 515 . 1 1 130 130 ASP N N 15 117.624 0.3 . 1 . . . . 130 ASP N . 18267 1 516 . 1 1 131 131 LYS H H 1 7.724 0.020 . 1 . . . . 131 LYS H . 18267 1 517 . 1 1 131 131 LYS C C 13 175.854 0.3 . 1 . . . . 131 LYS C . 18267 1 518 . 1 1 131 131 LYS CA C 13 55.984 0.3 . 1 . . . . 131 LYS CA . 18267 1 519 . 1 1 131 131 LYS CB C 13 31.634 0.3 . 1 . . . . 131 LYS CB . 18267 1 520 . 1 1 131 131 LYS N N 15 119.314 0.3 . 1 . . . . 131 LYS N . 18267 1 521 . 1 1 132 132 LEU H H 1 7.492 0.020 . 1 . . . . 132 LEU H . 18267 1 522 . 1 1 132 132 LEU C C 13 176.604 0.3 . 1 . . . . 132 LEU C . 18267 1 523 . 1 1 132 132 LEU CA C 13 52.945 0.3 . 1 . . . . 132 LEU CA . 18267 1 524 . 1 1 132 132 LEU CB C 13 41.917 0.3 . 1 . . . . 132 LEU CB . 18267 1 525 . 1 1 132 132 LEU N N 15 120.704 0.3 . 1 . . . . 132 LEU N . 18267 1 526 . 1 1 133 133 ASN H H 1 8.089 0.020 . 1 . . . . 133 ASN H . 18267 1 527 . 1 1 133 133 ASN CA C 13 50.677 0.3 . 1 . . . . 133 ASN CA . 18267 1 528 . 1 1 133 133 ASN CB C 13 37.970 0.3 . 1 . . . . 133 ASN CB . 18267 1 529 . 1 1 133 133 ASN N N 15 119.898 0.3 . 1 . . . . 133 ASN N . 18267 1 530 . 1 1 135 135 HIS C C 13 174.960 0.3 . 1 . . . . 135 HIS C . 18267 1 531 . 1 1 135 135 HIS CA C 13 51.533 0.3 . 1 . . . . 135 HIS CA . 18267 1 532 . 1 1 135 135 HIS CB C 13 30.458 0.3 . 1 . . . . 135 HIS CB . 18267 1 533 . 1 1 136 136 GLN H H 1 9.194 0.020 . 1 . . . . 136 GLN H . 18267 1 534 . 1 1 136 136 GLN CA C 13 54.851 0.3 . 1 . . . . 136 GLN CA . 18267 1 535 . 1 1 136 136 GLN CB C 13 27.208 0.3 . 1 . . . . 136 GLN CB . 18267 1 536 . 1 1 136 136 GLN N N 15 130.054 0.3 . 1 . . . . 136 GLN N . 18267 1 537 . 1 1 137 137 ARG C C 13 176.581 0.3 . 1 . . . . 137 ARG C . 18267 1 538 . 1 1 137 137 ARG CA C 13 56.099 0.3 . 1 . . . . 137 ARG CA . 18267 1 539 . 1 1 137 137 ARG CB C 13 31.872 0.3 . 1 . . . . 137 ARG CB . 18267 1 540 . 1 1 138 138 ILE H H 1 8.013 0.020 . 1 . . . . 138 ILE H . 18267 1 541 . 1 1 138 138 ILE CA C 13 60.886 0.3 . 1 . . . . 138 ILE CA . 18267 1 542 . 1 1 138 138 ILE CB C 13 37.756 0.3 . 1 . . . . 138 ILE CB . 18267 1 543 . 1 1 138 138 ILE N N 15 123.408 0.3 . 1 . . . . 138 ILE N . 18267 1 544 . 1 1 140 140 LEU H H 1 8.221 0.020 . 1 . . . . 140 LEU H . 18267 1 545 . 1 1 140 140 LEU C C 13 178.556 0.3 . 1 . . . . 140 LEU C . 18267 1 546 . 1 1 140 140 LEU CA C 13 54.869 0.3 . 1 . . . . 140 LEU CA . 18267 1 547 . 1 1 140 140 LEU CB C 13 41.651 0.3 . 1 . . . . 140 LEU CB . 18267 1 548 . 1 1 140 140 LEU N N 15 125.975 0.3 . 1 . . . . 140 LEU N . 18267 1 549 . 1 1 141 141 LYS H H 1 7.744 0.020 . 1 . . . . 141 LYS H . 18267 1 550 . 1 1 141 141 LYS C C 13 178.023 0.3 . 1 . . . . 141 LYS C . 18267 1 551 . 1 1 141 141 LYS CA C 13 58.640 0.3 . 1 . . . . 141 LYS CA . 18267 1 552 . 1 1 141 141 LYS CB C 13 31.302 0.3 . 1 . . . . 141 LYS CB . 18267 1 553 . 1 1 141 141 LYS N N 15 123.826 0.3 . 1 . . . . 141 LYS N . 18267 1 554 . 1 1 142 142 TYR H H 1 7.000 0.020 . 1 . . . . 142 TYR H . 18267 1 555 . 1 1 142 142 TYR C C 13 174.350 0.3 . 1 . . . . 142 TYR C . 18267 1 556 . 1 1 142 142 TYR CA C 13 54.399 0.3 . 1 . . . . 142 TYR CA . 18267 1 557 . 1 1 142 142 TYR CB C 13 36.095 0.3 . 1 . . . . 142 TYR CB . 18267 1 558 . 1 1 142 142 TYR N N 15 115.557 0.3 . 1 . . . . 142 TYR N . 18267 1 559 . 1 1 143 143 PHE H H 1 7.059 0.020 . 1 . . . . 143 PHE H . 18267 1 560 . 1 1 143 143 PHE C C 13 177.366 0.3 . 1 . . . . 143 PHE C . 18267 1 561 . 1 1 143 143 PHE CA C 13 62.302 0.3 . 1 . . . . 143 PHE CA . 18267 1 562 . 1 1 143 143 PHE CB C 13 39.450 0.3 . 1 . . . . 143 PHE CB . 18267 1 563 . 1 1 143 143 PHE N N 15 122.347 0.3 . 1 . . . . 143 PHE N . 18267 1 564 . 1 1 144 144 GLU H H 1 8.880 0.020 . 1 . . . . 144 GLU H . 18267 1 565 . 1 1 144 144 GLU CA C 13 59.186 0.3 . 1 . . . . 144 GLU CA . 18267 1 566 . 1 1 144 144 GLU CB C 13 27.962 0.3 . 1 . . . . 144 GLU CB . 18267 1 567 . 1 1 144 144 GLU N N 15 117.239 0.3 . 1 . . . . 144 GLU N . 18267 1 568 . 1 1 145 145 ASP C C 13 180.056 0.3 . 1 . . . . 145 ASP C . 18267 1 569 . 1 1 145 145 ASP CA C 13 57.387 0.3 . 1 . . . . 145 ASP CA . 18267 1 570 . 1 1 145 145 ASP CB C 13 39.344 0.3 . 1 . . . . 145 ASP CB . 18267 1 571 . 1 1 146 146 PHE H H 1 8.571 0.020 . 1 . . . . 146 PHE H . 18267 1 572 . 1 1 146 146 PHE C C 13 176.850 0.3 . 1 . . . . 146 PHE C . 18267 1 573 . 1 1 146 146 PHE CA C 13 55.062 0.3 . 1 . . . . 146 PHE CA . 18267 1 574 . 1 1 146 146 PHE CB C 13 35.556 0.3 . 1 . . . . 146 PHE CB . 18267 1 575 . 1 1 146 146 PHE N N 15 119.430 0.3 . 1 . . . . 146 PHE N . 18267 1 576 . 1 1 147 147 GLU H H 1 7.180 0.020 . 1 . . . . 147 GLU H . 18267 1 577 . 1 1 147 147 GLU C C 13 176.924 0.3 . 1 . . . . 147 GLU C . 18267 1 578 . 1 1 147 147 GLU CA C 13 56.866 0.3 . 1 . . . . 147 GLU CA . 18267 1 579 . 1 1 147 147 GLU CB C 13 29.295 0.3 . 1 . . . . 147 GLU CB . 18267 1 580 . 1 1 147 147 GLU N N 15 118.027 0.3 . 1 . . . . 147 GLU N . 18267 1 581 . 1 1 148 148 LYS H H 1 7.290 0.020 . 1 . . . . 148 LYS H . 18267 1 582 . 1 1 148 148 LYS C C 13 177.313 0.3 . 1 . . . . 148 LYS C . 18267 1 583 . 1 1 148 148 LYS CA C 13 55.759 0.3 . 1 . . . . 148 LYS CA . 18267 1 584 . 1 1 148 148 LYS CB C 13 32.849 0.3 . 1 . . . . 148 LYS CB . 18267 1 585 . 1 1 148 148 LYS N N 15 120.619 0.3 . 1 . . . . 148 LYS N . 18267 1 586 . 1 1 149 149 ARG H H 1 8.680 0.020 . 1 . . . . 149 ARG H . 18267 1 587 . 1 1 149 149 ARG C C 13 176.047 0.3 . 1 . . . . 149 ARG C . 18267 1 588 . 1 1 149 149 ARG CA C 13 54.451 0.3 . 1 . . . . 149 ARG CA . 18267 1 589 . 1 1 149 149 ARG CB C 13 29.599 0.3 . 1 . . . . 149 ARG CB . 18267 1 590 . 1 1 149 149 ARG N N 15 123.082 0.3 . 1 . . . . 149 ARG N . 18267 1 591 . 1 1 150 150 ILE H H 1 9.334 0.020 . 1 . . . . 150 ILE H . 18267 1 592 . 1 1 150 150 ILE CA C 13 58.188 0.3 . 1 . . . . 150 ILE CA . 18267 1 593 . 1 1 150 150 ILE CB C 13 37.916 0.3 . 1 . . . . 150 ILE CB . 18267 1 594 . 1 1 150 150 ILE N N 15 123.827 0.3 . 1 . . . . 150 ILE N . 18267 1 595 . 1 1 151 151 PRO C C 13 178.460 0.3 . 1 . . . . 151 PRO C . 18267 1 596 . 1 1 151 151 PRO CA C 13 62.436 0.3 . 1 . . . . 151 PRO CA . 18267 1 597 . 1 1 151 151 PRO CB C 13 32.234 0.3 . 1 . . . . 151 PRO CB . 18267 1 598 . 1 1 152 152 ARG H H 1 8.241 0.020 . 1 . . . . 152 ARG H . 18267 1 599 . 1 1 152 152 ARG C C 13 177.151 0.3 . 1 . . . . 152 ARG C . 18267 1 600 . 1 1 152 152 ARG CA C 13 60.061 0.3 . 1 . . . . 152 ARG CA . 18267 1 601 . 1 1 152 152 ARG CB C 13 28.364 0.3 . 1 . . . . 152 ARG CB . 18267 1 602 . 1 1 152 152 ARG N N 15 127.204 0.3 . 1 . . . . 152 ARG N . 18267 1 603 . 1 1 153 153 GLU H H 1 9.416 0.020 . 1 . . . . 153 GLU H . 18267 1 604 . 1 1 153 153 GLU C C 13 179.916 0.3 . 1 . . . . 153 GLU C . 18267 1 605 . 1 1 153 153 GLU CA C 13 59.833 0.3 . 1 . . . . 153 GLU CA . 18267 1 606 . 1 1 153 153 GLU CB C 13 28.293 0.3 . 1 . . . . 153 GLU CB . 18267 1 607 . 1 1 153 153 GLU N N 15 117.232 0.3 . 1 . . . . 153 GLU N . 18267 1 608 . 1 1 154 154 GLU H H 1 7.130 0.020 . 1 . . . . 154 GLU H . 18267 1 609 . 1 1 154 154 GLU CA C 13 58.380 0.3 . 1 . . . . 154 GLU CA . 18267 1 610 . 1 1 154 154 GLU CB C 13 29.786 0.3 . 1 . . . . 154 GLU CB . 18267 1 611 . 1 1 154 154 GLU N N 15 119.018 0.3 . 1 . . . . 154 GLU N . 18267 1 612 . 1 1 155 155 MET H H 1 7.758 0.020 . 1 . . . . 155 MET H . 18267 1 613 . 1 1 155 155 MET C C 13 179.281 0.3 . 1 . . . . 155 MET C . 18267 1 614 . 1 1 155 155 MET CA C 13 56.367 0.3 . 1 . . . . 155 MET CA . 18267 1 615 . 1 1 155 155 MET CB C 13 31.230 0.3 . 1 . . . . 155 MET CB . 18267 1 616 . 1 1 155 155 MET N N 15 122.139 0.3 . 1 . . . . 155 MET N . 18267 1 617 . 1 1 156 156 LEU H H 1 8.641 0.020 . 1 . . . . 156 LEU H . 18267 1 618 . 1 1 156 156 LEU C C 13 179.531 0.3 . 1 . . . . 156 LEU C . 18267 1 619 . 1 1 156 156 LEU CA C 13 57.821 0.3 . 1 . . . . 156 LEU CA . 18267 1 620 . 1 1 156 156 LEU CB C 13 40.634 0.3 . 1 . . . . 156 LEU CB . 18267 1 621 . 1 1 156 156 LEU N N 15 120.331 0.3 . 1 . . . . 156 LEU N . 18267 1 622 . 1 1 157 157 GLN H H 1 6.993 0.020 . 1 . . . . 157 GLN H . 18267 1 623 . 1 1 157 157 GLN C C 13 174.949 0.3 . 1 . . . . 157 GLN C . 18267 1 624 . 1 1 157 157 GLN CA C 13 58.431 0.3 . 1 . . . . 157 GLN CA . 18267 1 625 . 1 1 157 157 GLN CB C 13 29.068 0.3 . 1 . . . . 157 GLN CB . 18267 1 626 . 1 1 157 157 GLN N N 15 120.490 0.3 . 1 . . . . 157 GLN N . 18267 1 627 . 1 1 158 158 MET H H 1 8.451 0.020 . 1 . . . . 158 MET H . 18267 1 628 . 1 1 158 158 MET CA C 13 58.857 0.3 . 1 . . . . 158 MET CA . 18267 1 629 . 1 1 158 158 MET CB C 13 33.946 0.3 . 1 . . . . 158 MET CB . 18267 1 630 . 1 1 158 158 MET N N 15 121.375 0.3 . 1 . . . . 158 MET N . 18267 1 631 . 1 1 159 159 GLN H H 1 8.822 0.020 . 1 . . . . 159 GLN H . 18267 1 632 . 1 1 159 159 GLN C C 13 175.746 0.3 . 1 . . . . 159 GLN C . 18267 1 633 . 1 1 159 159 GLN CA C 13 59.112 0.3 . 1 . . . . 159 GLN CA . 18267 1 634 . 1 1 159 159 GLN CB C 13 28.678 0.3 . 1 . . . . 159 GLN CB . 18267 1 635 . 1 1 159 159 GLN N N 15 120.087 0.3 . 1 . . . . 159 GLN N . 18267 1 636 . 1 1 160 160 ASP H H 1 7.545 0.020 . 1 . . . . 160 ASP H . 18267 1 637 . 1 1 160 160 ASP CA C 13 57.254 0.3 . 1 . . . . 160 ASP CA . 18267 1 638 . 1 1 160 160 ASP CB C 13 39.932 0.3 . 1 . . . . 160 ASP CB . 18267 1 639 . 1 1 160 160 ASP N N 15 119.561 0.3 . 1 . . . . 160 ASP N . 18267 1 640 . 1 1 161 161 ILE H H 1 7.102 0.020 . 1 . . . . 161 ILE H . 18267 1 641 . 1 1 161 161 ILE CA C 13 64.945 0.3 . 1 . . . . 161 ILE CA . 18267 1 642 . 1 1 161 161 ILE CB C 13 37.394 0.3 . 1 . . . . 161 ILE CB . 18267 1 643 . 1 1 161 161 ILE N N 15 120.046 0.3 . 1 . . . . 161 ILE N . 18267 1 644 . 1 1 163 163 LEU C C 13 180.281 0.3 . 1 . . . . 163 LEU C . 18267 1 645 . 1 1 163 163 LEU CA C 13 58.022 0.3 . 1 . . . . 163 LEU CA . 18267 1 646 . 1 1 163 163 LEU CB C 13 39.022 0.3 . 1 . . . . 163 LEU CB . 18267 1 647 . 1 1 164 164 ASN H H 1 8.152 0.020 . 1 . . . . 164 ASN H . 18267 1 648 . 1 1 164 164 ASN C C 13 178.314 0.3 . 1 . . . . 164 ASN C . 18267 1 649 . 1 1 164 164 ASN CA C 13 55.822 0.3 . 1 . . . . 164 ASN CA . 18267 1 650 . 1 1 164 164 ASN CB C 13 37.719 0.3 . 1 . . . . 164 ASN CB . 18267 1 651 . 1 1 164 164 ASN N N 15 117.843 0.3 . 1 . . . . 164 ASN N . 18267 1 652 . 1 1 165 165 GLU H H 1 8.075 0.020 . 1 . . . . 165 GLU H . 18267 1 653 . 1 1 165 165 GLU CA C 13 58.062 0.3 . 1 . . . . 165 GLU CA . 18267 1 654 . 1 1 165 165 GLU CB C 13 27.862 0.3 . 1 . . . . 165 GLU CB . 18267 1 655 . 1 1 165 165 GLU N N 15 118.869 0.3 . 1 . . . . 165 GLU N . 18267 1 656 . 1 1 166 166 VAL C C 13 176.489 0.3 . 1 . . . . 166 VAL C . 18267 1 657 . 1 1 166 166 VAL CA C 13 66.613 0.3 . 1 . . . . 166 VAL CA . 18267 1 658 . 1 1 166 166 VAL CB C 13 30.571 0.3 . 1 . . . . 166 VAL CB . 18267 1 659 . 1 1 167 167 LYS H H 1 7.513 0.020 . 1 . . . . 167 LYS H . 18267 1 660 . 1 1 167 167 LYS C C 13 178.335 0.3 . 1 . . . . 167 LYS C . 18267 1 661 . 1 1 167 167 LYS CA C 13 58.274 0.3 . 1 . . . . 167 LYS CA . 18267 1 662 . 1 1 167 167 LYS CB C 13 31.084 0.3 . 1 . . . . 167 LYS CB . 18267 1 663 . 1 1 167 167 LYS N N 15 119.400 0.3 . 1 . . . . 167 LYS N . 18267 1 664 . 1 1 168 168 LYS H H 1 7.233 0.020 . 1 . . . . 168 LYS H . 18267 1 665 . 1 1 168 168 LYS C C 13 178.573 0.3 . 1 . . . . 168 LYS C . 18267 1 666 . 1 1 168 168 LYS CA C 13 58.113 0.3 . 1 . . . . 168 LYS CA . 18267 1 667 . 1 1 168 168 LYS CB C 13 31.675 0.3 . 1 . . . . 168 LYS CB . 18267 1 668 . 1 1 168 168 LYS N N 15 117.460 0.3 . 1 . . . . 168 LYS N . 18267 1 669 . 1 1 169 169 LEU H H 1 7.270 0.020 . 1 . . . . 169 LEU H . 18267 1 670 . 1 1 169 169 LEU C C 13 177.938 0.3 . 1 . . . . 169 LEU C . 18267 1 671 . 1 1 169 169 LEU CA C 13 56.831 0.3 . 1 . . . . 169 LEU CA . 18267 1 672 . 1 1 169 169 LEU CB C 13 42.456 0.3 . 1 . . . . 169 LEU CB . 18267 1 673 . 1 1 169 169 LEU N N 15 120.514 0.3 . 1 . . . . 169 LEU N . 18267 1 674 . 1 1 170 170 ASP H H 1 7.720 0.020 . 1 . . . . 170 ASP H . 18267 1 675 . 1 1 170 170 ASP CA C 13 52.015 0.3 . 1 . . . . 170 ASP CA . 18267 1 676 . 1 1 170 170 ASP CB C 13 42.002 0.3 . 1 . . . . 170 ASP CB . 18267 1 677 . 1 1 170 170 ASP N N 15 116.251 0.3 . 1 . . . . 170 ASP N . 18267 1 678 . 1 1 171 171 PRO C C 13 176.820 0.3 . 1 . . . . 171 PRO C . 18267 1 679 . 1 1 171 171 PRO CA C 13 63.621 0.3 . 1 . . . . 171 PRO CA . 18267 1 680 . 1 1 171 171 PRO CB C 13 31.405 0.3 . 1 . . . . 171 PRO CB . 18267 1 681 . 1 1 172 172 GLU H H 1 8.505 0.020 . 1 . . . . 172 GLU H . 18267 1 682 . 1 1 172 172 GLU C C 13 178.528 0.3 . 1 . . . . 172 GLU C . 18267 1 683 . 1 1 172 172 GLU CA C 13 56.005 0.3 . 1 . . . . 172 GLU CA . 18267 1 684 . 1 1 172 172 GLU CB C 13 28.418 0.3 . 1 . . . . 172 GLU CB . 18267 1 685 . 1 1 172 172 GLU N N 15 117.142 0.3 . 1 . . . . 172 GLU N . 18267 1 686 . 1 1 173 173 TYR H H 1 7.487 0.020 . 1 . . . . 173 TYR H . 18267 1 687 . 1 1 173 173 TYR CA C 13 59.650 0.3 . 1 . . . . 173 TYR CA . 18267 1 688 . 1 1 173 173 TYR CB C 13 40.112 0.3 . 1 . . . . 173 TYR CB . 18267 1 689 . 1 1 173 173 TYR N N 15 117.259 0.3 . 1 . . . . 173 TYR N . 18267 1 690 . 1 1 174 174 ILE H H 1 8.066 0.020 . 1 . . . . 174 ILE H . 18267 1 691 . 1 1 174 174 ILE C C 13 173.789 0.3 . 1 . . . . 174 ILE C . 18267 1 692 . 1 1 174 174 ILE CA C 13 60.817 0.3 . 1 . . . . 174 ILE CA . 18267 1 693 . 1 1 174 174 ILE CB C 13 39.247 0.3 . 1 . . . . 174 ILE CB . 18267 1 694 . 1 1 174 174 ILE N N 15 121.023 0.3 . 1 . . . . 174 ILE N . 18267 1 695 . 1 1 175 175 ALA H H 1 8.579 0.020 . 1 . . . . 175 ALA H . 18267 1 696 . 1 1 175 175 ALA CA C 13 49.533 0.3 . 1 . . . . 175 ALA CA . 18267 1 697 . 1 1 175 175 ALA CB C 13 20.911 0.3 . 1 . . . . 175 ALA CB . 18267 1 698 . 1 1 175 175 ALA N N 15 129.361 0.3 . 1 . . . . 175 ALA N . 18267 1 699 . 1 1 176 176 THR H H 1 8.401 0.020 . 1 . . . . 176 THR H . 18267 1 700 . 1 1 176 176 THR C C 13 173.148 0.3 . 1 . . . . 176 THR C . 18267 1 701 . 1 1 176 176 THR CA C 13 61.498 0.3 . 1 . . . . 176 THR CA . 18267 1 702 . 1 1 176 176 THR CB C 13 71.410 0.3 . 1 . . . . 176 THR CB . 18267 1 703 . 1 1 176 176 THR N N 15 116.603 0.3 . 1 . . . . 176 THR N . 18267 1 704 . 1 1 177 177 VAL H H 1 9.591 0.020 . 1 . . . . 177 VAL H . 18267 1 705 . 1 1 177 177 VAL C C 13 176.377 0.3 . 1 . . . . 177 VAL C . 18267 1 706 . 1 1 177 177 VAL CA C 13 62.491 0.3 . 1 . . . . 177 VAL CA . 18267 1 707 . 1 1 177 177 VAL CB C 13 29.740 0.3 . 1 . . . . 177 VAL CB . 18267 1 708 . 1 1 177 177 VAL N N 15 132.286 0.3 . 1 . . . . 177 VAL N . 18267 1 709 . 1 1 178 178 CYS H H 1 8.611 0.020 . 1 . . . . 178 CYS H . 18267 1 710 . 1 1 178 178 CYS C C 13 173.423 0.3 . 1 . . . . 178 CYS C . 18267 1 711 . 1 1 178 178 CYS CA C 13 58.860 0.3 . 1 . . . . 178 CYS CA . 18267 1 712 . 1 1 178 178 CYS CB C 13 26.767 0.3 . 1 . . . . 178 CYS CB . 18267 1 713 . 1 1 178 178 CYS N N 15 126.731 0.3 . 1 . . . . 178 CYS N . 18267 1 714 . 1 1 179 179 GLY H H 1 7.700 0.020 . 1 . . . . 179 GLY H . 18267 1 715 . 1 1 179 179 GLY C C 13 174.209 0.3 . 1 . . . . 179 GLY C . 18267 1 716 . 1 1 179 179 GLY CA C 13 44.677 0.3 . 1 . . . . 179 GLY CA . 18267 1 717 . 1 1 179 179 GLY N N 15 109.264 0.3 . 1 . . . . 179 GLY N . 18267 1 718 . 1 1 180 180 SER H H 1 7.906 0.020 . 1 . . . . 180 SER H . 18267 1 719 . 1 1 180 180 SER CA C 13 61.947 0.3 . 1 . . . . 180 SER CA . 18267 1 720 . 1 1 180 180 SER N N 15 120.928 0.3 . 1 . . . . 180 SER N . 18267 1 721 . 1 1 181 181 PHE C C 13 179.241 0.3 . 1 . . . . 181 PHE C . 18267 1 722 . 1 1 181 181 PHE CA C 13 60.661 0.3 . 1 . . . . 181 PHE CA . 18267 1 723 . 1 1 181 181 PHE CB C 13 39.205 0.3 . 1 . . . . 181 PHE CB . 18267 1 724 . 1 1 182 182 ARG H H 1 7.419 0.020 . 1 . . . . 182 ARG H . 18267 1 725 . 1 1 182 182 ARG C C 13 175.854 0.3 . 1 . . . . 182 ARG C . 18267 1 726 . 1 1 182 182 ARG CA C 13 58.176 0.3 . 1 . . . . 182 ARG CA . 18267 1 727 . 1 1 182 182 ARG CB C 13 27.603 0.3 . 1 . . . . 182 ARG CB . 18267 1 728 . 1 1 182 182 ARG N N 15 124.219 0.3 . 1 . . . . 182 ARG N . 18267 1 729 . 1 1 183 183 ARG H H 1 6.930 0.020 . 1 . . . . 183 ARG H . 18267 1 730 . 1 1 183 183 ARG C C 13 174.826 0.3 . 1 . . . . 183 ARG C . 18267 1 731 . 1 1 183 183 ARG CA C 13 55.483 0.3 . 1 . . . . 183 ARG CA . 18267 1 732 . 1 1 183 183 ARG CB C 13 29.013 0.3 . 1 . . . . 183 ARG CB . 18267 1 733 . 1 1 183 183 ARG N N 15 114.345 0.3 . 1 . . . . 183 ARG N . 18267 1 734 . 1 1 184 184 GLY H H 1 7.324 0.020 . 1 . . . . 184 GLY H . 18267 1 735 . 1 1 184 184 GLY C C 13 174.458 0.3 . 1 . . . . 184 GLY C . 18267 1 736 . 1 1 184 184 GLY CA C 13 44.266 0.3 . 1 . . . . 184 GLY CA . 18267 1 737 . 1 1 184 184 GLY N N 15 105.870 0.3 . 1 . . . . 184 GLY N . 18267 1 738 . 1 1 185 185 ALA H H 1 7.380 0.020 . 1 . . . . 185 ALA H . 18267 1 739 . 1 1 185 185 ALA CA C 13 52.776 0.3 . 1 . . . . 185 ALA CA . 18267 1 740 . 1 1 185 185 ALA CB C 13 18.940 0.3 . 1 . . . . 185 ALA CB . 18267 1 741 . 1 1 185 185 ALA N N 15 122.912 0.3 . 1 . . . . 185 ALA N . 18267 1 742 . 1 1 186 186 GLU H H 1 7.849 0.020 . 1 . . . . 186 GLU H . 18267 1 743 . 1 1 186 186 GLU CA C 13 61.958 0.3 . 1 . . . . 186 GLU CA . 18267 1 744 . 1 1 186 186 GLU N N 15 112.533 0.3 . 1 . . . . 186 GLU N . 18267 1 745 . 1 1 188 188 SER CA C 13 56.588 0.3 . 1 . . . . 188 SER CA . 18267 1 746 . 1 1 189 189 GLY H H 1 8.320 0.020 . 1 . . . . 189 GLY H . 18267 1 747 . 1 1 189 189 GLY C C 13 172.660 0.3 . 1 . . . . 189 GLY C . 18267 1 748 . 1 1 189 189 GLY CA C 13 44.952 0.3 . 1 . . . . 189 GLY CA . 18267 1 749 . 1 1 189 189 GLY N N 15 110.515 0.3 . 1 . . . . 189 GLY N . 18267 1 750 . 1 1 190 190 ASP H H 1 7.604 0.020 . 1 . . . . 190 ASP H . 18267 1 751 . 1 1 190 190 ASP C C 13 172.325 0.3 . 1 . . . . 190 ASP C . 18267 1 752 . 1 1 190 190 ASP CA C 13 52.288 0.3 . 1 . . . . 190 ASP CA . 18267 1 753 . 1 1 190 190 ASP CB C 13 41.084 0.3 . 1 . . . . 190 ASP CB . 18267 1 754 . 1 1 190 190 ASP N N 15 118.325 0.3 . 1 . . . . 190 ASP N . 18267 1 755 . 1 1 191 191 MET H H 1 7.989 0.020 . 1 . . . . 191 MET H . 18267 1 756 . 1 1 191 191 MET C C 13 172.462 0.3 . 1 . . . . 191 MET C . 18267 1 757 . 1 1 191 191 MET CA C 13 54.475 0.3 . 1 . . . . 191 MET CA . 18267 1 758 . 1 1 191 191 MET CB C 13 34.153 0.3 . 1 . . . . 191 MET CB . 18267 1 759 . 1 1 191 191 MET N N 15 118.800 0.3 . 1 . . . . 191 MET N . 18267 1 760 . 1 1 192 192 ASP H H 1 9.170 0.020 . 1 . . . . 192 ASP H . 18267 1 761 . 1 1 192 192 ASP CA C 13 52.736 0.3 . 1 . . . . 192 ASP CA . 18267 1 762 . 1 1 192 192 ASP CB C 13 42.029 0.3 . 1 . . . . 192 ASP CB . 18267 1 763 . 1 1 192 192 ASP N N 15 131.864 0.3 . 1 . . . . 192 ASP N . 18267 1 764 . 1 1 196 196 THR C C 13 171.410 0.3 . 1 . . . . 196 THR C . 18267 1 765 . 1 1 196 196 THR CA C 13 60.808 0.3 . 1 . . . . 196 THR CA . 18267 1 766 . 1 1 196 196 THR CB C 13 68.884 0.3 . 1 . . . . 196 THR CB . 18267 1 767 . 1 1 197 197 HIS H H 1 8.661 0.020 . 1 . . . . 197 HIS H . 18267 1 768 . 1 1 197 197 HIS CA C 13 54.905 0.3 . 1 . . . . 197 HIS CA . 18267 1 769 . 1 1 197 197 HIS CB C 13 35.640 0.3 . 1 . . . . 197 HIS CB . 18267 1 770 . 1 1 197 197 HIS N N 15 124.406 0.3 . 1 . . . . 197 HIS N . 18267 1 771 . 1 1 198 198 PRO C C 13 176.582 0.3 . 1 . . . . 198 PRO C . 18267 1 772 . 1 1 198 198 PRO CA C 13 63.981 0.3 . 1 . . . . 198 PRO CA . 18267 1 773 . 1 1 198 198 PRO CB C 13 31.079 0.3 . 1 . . . . 198 PRO CB . 18267 1 774 . 1 1 199 199 ASN H H 1 10.926 0.020 . 1 . . . . 199 ASN H . 18267 1 775 . 1 1 199 199 ASN CA C 13 53.446 0.3 . 1 . . . . 199 ASN CA . 18267 1 776 . 1 1 199 199 ASN CB C 13 37.407 0.3 . 1 . . . . 199 ASN CB . 18267 1 777 . 1 1 199 199 ASN N N 15 119.769 0.3 . 1 . . . . 199 ASN N . 18267 1 778 . 1 1 200 200 PHE H H 1 8.395 0.020 . 1 . . . . 200 PHE H . 18267 1 779 . 1 1 200 200 PHE C C 13 172.569 0.3 . 1 . . . . 200 PHE C . 18267 1 780 . 1 1 200 200 PHE CA C 13 54.520 0.3 . 1 . . . . 200 PHE CA . 18267 1 781 . 1 1 200 200 PHE CB C 13 39.224 0.3 . 1 . . . . 200 PHE CB . 18267 1 782 . 1 1 200 200 PHE N N 15 124.068 0.3 . 1 . . . . 200 PHE N . 18267 1 783 . 1 1 201 201 THR H H 1 8.249 0.020 . 1 . . . . 201 THR H . 18267 1 784 . 1 1 201 201 THR CA C 13 59.758 0.3 . 1 . . . . 201 THR CA . 18267 1 785 . 1 1 201 201 THR CB C 13 71.616 0.3 . 1 . . . . 201 THR CB . 18267 1 786 . 1 1 201 201 THR N N 15 117.774 0.3 . 1 . . . . 201 THR N . 18267 1 787 . 1 1 203 203 GLU C C 13 176.500 0.3 . 1 . . . . 203 GLU C . 18267 1 788 . 1 1 203 203 GLU CA C 13 56.087 0.3 . 1 . . . . 203 GLU CA . 18267 1 789 . 1 1 203 203 GLU CB C 13 29.603 0.3 . 1 . . . . 203 GLU CB . 18267 1 790 . 1 1 204 204 SER H H 1 7.569 0.020 . 1 . . . . 204 SER H . 18267 1 791 . 1 1 204 204 SER C C 13 176.914 0.3 . 1 . . . . 204 SER C . 18267 1 792 . 1 1 204 204 SER CA C 13 57.961 0.3 . 1 . . . . 204 SER CA . 18267 1 793 . 1 1 204 204 SER CB C 13 64.043 0.3 . 1 . . . . 204 SER CB . 18267 1 794 . 1 1 204 204 SER N N 15 117.665 0.3 . 1 . . . . 204 SER N . 18267 1 795 . 1 1 205 205 SER H H 1 7.721 0.020 . 1 . . . . 205 SER H . 18267 1 796 . 1 1 205 205 SER C C 13 174.598 0.3 . 1 . . . . 205 SER C . 18267 1 797 . 1 1 205 205 SER CA C 13 58.301 0.3 . 1 . . . . 205 SER CA . 18267 1 798 . 1 1 205 205 SER CB C 13 63.486 0.3 . 1 . . . . 205 SER CB . 18267 1 799 . 1 1 205 205 SER N N 15 114.057 0.3 . 1 . . . . 205 SER N . 18267 1 800 . 1 1 206 206 LYS H H 1 8.372 0.020 . 1 . . . . 206 LYS H . 18267 1 801 . 1 1 206 206 LYS C C 13 175.951 0.3 . 1 . . . . 206 LYS C . 18267 1 802 . 1 1 206 206 LYS CA C 13 56.498 0.3 . 1 . . . . 206 LYS CA . 18267 1 803 . 1 1 206 206 LYS CB C 13 31.722 0.3 . 1 . . . . 206 LYS CB . 18267 1 804 . 1 1 206 206 LYS N N 15 123.240 0.3 . 1 . . . . 206 LYS N . 18267 1 805 . 1 1 207 207 GLN H H 1 7.871 0.020 . 1 . . . . 207 GLN H . 18267 1 806 . 1 1 207 207 GLN CA C 13 52.764 0.3 . 1 . . . . 207 GLN CA . 18267 1 807 . 1 1 207 207 GLN CB C 13 29.243 0.3 . 1 . . . . 207 GLN CB . 18267 1 808 . 1 1 207 207 GLN N N 15 122.261 0.3 . 1 . . . . 207 GLN N . 18267 1 809 . 1 1 208 208 PRO C C 13 176.321 0.3 . 1 . . . . 208 PRO C . 18267 1 810 . 1 1 208 208 PRO CA C 13 60.916 0.3 . 1 . . . . 208 PRO CA . 18267 1 811 . 1 1 209 209 LYS H H 1 8.279 0.020 . 1 . . . . 209 LYS H . 18267 1 812 . 1 1 209 209 LYS C C 13 177.099 0.3 . 1 . . . . 209 LYS C . 18267 1 813 . 1 1 209 209 LYS CA C 13 55.806 0.3 . 1 . . . . 209 LYS CA . 18267 1 814 . 1 1 209 209 LYS CB C 13 29.574 0.3 . 1 . . . . 209 LYS CB . 18267 1 815 . 1 1 209 209 LYS N N 15 126.325 0.3 . 1 . . . . 209 LYS N . 18267 1 816 . 1 1 210 210 LEU H H 1 8.245 0.020 . 1 . . . . 210 LEU H . 18267 1 817 . 1 1 210 210 LEU C C 13 176.114 0.3 . 1 . . . . 210 LEU C . 18267 1 818 . 1 1 210 210 LEU CA C 13 55.661 0.3 . 1 . . . . 210 LEU CA . 18267 1 819 . 1 1 210 210 LEU CB C 13 40.570 0.3 . 1 . . . . 210 LEU CB . 18267 1 820 . 1 1 210 210 LEU N N 15 124.135 0.3 . 1 . . . . 210 LEU N . 18267 1 821 . 1 1 211 211 LEU H H 1 8.338 0.020 . 1 . . . . 211 LEU H . 18267 1 822 . 1 1 211 211 LEU CA C 13 54.162 0.3 . 1 . . . . 211 LEU CA . 18267 1 823 . 1 1 211 211 LEU CB C 13 40.696 0.3 . 1 . . . . 211 LEU CB . 18267 1 824 . 1 1 211 211 LEU N N 15 122.926 0.3 . 1 . . . . 211 LEU N . 18267 1 825 . 1 1 212 212 HIS H H 1 8.289 0.020 . 1 . . . . 212 HIS H . 18267 1 826 . 1 1 212 212 HIS C C 13 176.979 0.3 . 1 . . . . 212 HIS C . 18267 1 827 . 1 1 212 212 HIS CA C 13 57.057 0.3 . 1 . . . . 212 HIS CA . 18267 1 828 . 1 1 212 212 HIS CB C 13 29.234 0.3 . 1 . . . . 212 HIS CB . 18267 1 829 . 1 1 212 212 HIS N N 15 123.487 0.3 . 1 . . . . 212 HIS N . 18267 1 830 . 1 1 213 213 ARG H H 1 8.396 0.020 . 1 . . . . 213 ARG H . 18267 1 831 . 1 1 213 213 ARG C C 13 179.174 0.3 . 1 . . . . 213 ARG C . 18267 1 832 . 1 1 213 213 ARG CA C 13 58.806 0.3 . 1 . . . . 213 ARG CA . 18267 1 833 . 1 1 213 213 ARG CB C 13 29.363 0.3 . 1 . . . . 213 ARG CB . 18267 1 834 . 1 1 213 213 ARG N N 15 117.118 0.3 . 1 . . . . 213 ARG N . 18267 1 835 . 1 1 214 214 VAL H H 1 6.586 0.020 . 1 . . . . 214 VAL H . 18267 1 836 . 1 1 214 214 VAL CA C 13 65.546 0.3 . 1 . . . . 214 VAL CA . 18267 1 837 . 1 1 214 214 VAL CB C 13 30.918 0.3 . 1 . . . . 214 VAL CB . 18267 1 838 . 1 1 214 214 VAL N N 15 119.853 0.3 . 1 . . . . 214 VAL N . 18267 1 839 . 1 1 215 215 VAL C C 13 177.282 0.3 . 1 . . . . 215 VAL C . 18267 1 840 . 1 1 215 215 VAL CA C 13 66.204 0.3 . 1 . . . . 215 VAL CA . 18267 1 841 . 1 1 215 215 VAL CB C 13 30.369 0.3 . 1 . . . . 215 VAL CB . 18267 1 842 . 1 1 216 216 GLU H H 1 8.421 0.020 . 1 . . . . 216 GLU H . 18267 1 843 . 1 1 216 216 GLU C C 13 179.532 0.3 . 1 . . . . 216 GLU C . 18267 1 844 . 1 1 216 216 GLU CA C 13 58.295 0.3 . 1 . . . . 216 GLU CA . 18267 1 845 . 1 1 216 216 GLU CB C 13 28.454 0.3 . 1 . . . . 216 GLU CB . 18267 1 846 . 1 1 216 216 GLU N N 15 118.401 0.3 . 1 . . . . 216 GLU N . 18267 1 847 . 1 1 217 217 GLN H H 1 7.497 0.020 . 1 . . . . 217 GLN H . 18267 1 848 . 1 1 217 217 GLN CA C 13 57.523 0.3 . 1 . . . . 217 GLN CA . 18267 1 849 . 1 1 217 217 GLN CB C 13 26.774 0.3 . 1 . . . . 217 GLN CB . 18267 1 850 . 1 1 217 217 GLN N N 15 121.904 0.3 . 1 . . . . 217 GLN N . 18267 1 851 . 1 1 219 219 GLN C C 13 179.920 0.3 . 1 . . . . 219 GLN C . 18267 1 852 . 1 1 219 219 GLN CA C 13 58.212 0.3 . 1 . . . . 219 GLN CA . 18267 1 853 . 1 1 219 219 GLN CB C 13 28.275 0.3 . 1 . . . . 219 GLN CB . 18267 1 854 . 1 1 220 220 LYS H H 1 8.296 0.020 . 1 . . . . 220 LYS H . 18267 1 855 . 1 1 220 220 LYS C C 13 179.077 0.3 . 1 . . . . 220 LYS C . 18267 1 856 . 1 1 220 220 LYS CA C 13 59.520 0.3 . 1 . . . . 220 LYS CA . 18267 1 857 . 1 1 220 220 LYS CB C 13 30.968 0.3 . 1 . . . . 220 LYS CB . 18267 1 858 . 1 1 220 220 LYS N N 15 126.830 0.3 . 1 . . . . 220 LYS N . 18267 1 859 . 1 1 221 221 VAL H H 1 7.343 0.020 . 1 . . . . 221 VAL H . 18267 1 860 . 1 1 221 221 VAL C C 13 174.931 0.3 . 1 . . . . 221 VAL C . 18267 1 861 . 1 1 221 221 VAL CA C 13 60.778 0.3 . 1 . . . . 221 VAL CA . 18267 1 862 . 1 1 221 221 VAL CB C 13 29.479 0.3 . 1 . . . . 221 VAL CB . 18267 1 863 . 1 1 221 221 VAL N N 15 109.680 0.3 . 1 . . . . 221 VAL N . 18267 1 864 . 1 1 222 222 ARG H H 1 7.752 0.020 . 1 . . . . 222 ARG H . 18267 1 865 . 1 1 222 222 ARG C C 13 174.232 0.3 . 1 . . . . 222 ARG C . 18267 1 866 . 1 1 222 222 ARG CA C 13 56.877 0.3 . 1 . . . . 222 ARG CA . 18267 1 867 . 1 1 222 222 ARG CB C 13 25.271 0.3 . 1 . . . . 222 ARG CB . 18267 1 868 . 1 1 222 222 ARG N N 15 116.479 0.3 . 1 . . . . 222 ARG N . 18267 1 869 . 1 1 223 223 PHE H H 1 7.786 0.020 . 1 . . . . 223 PHE H . 18267 1 870 . 1 1 223 223 PHE C C 13 175.794 0.3 . 1 . . . . 223 PHE C . 18267 1 871 . 1 1 223 223 PHE CA C 13 58.786 0.3 . 1 . . . . 223 PHE CA . 18267 1 872 . 1 1 223 223 PHE CB C 13 39.841 0.3 . 1 . . . . 223 PHE CB . 18267 1 873 . 1 1 223 223 PHE N N 15 119.228 0.3 . 1 . . . . 223 PHE N . 18267 1 874 . 1 1 224 224 ILE H H 1 6.665 0.020 . 1 . . . . 224 ILE H . 18267 1 875 . 1 1 224 224 ILE C C 13 176.215 0.3 . 1 . . . . 224 ILE C . 18267 1 876 . 1 1 224 224 ILE CA C 13 59.739 0.3 . 1 . . . . 224 ILE CA . 18267 1 877 . 1 1 224 224 ILE CB C 13 37.521 0.3 . 1 . . . . 224 ILE CB . 18267 1 878 . 1 1 224 224 ILE N N 15 116.094 0.3 . 1 . . . . 224 ILE N . 18267 1 879 . 1 1 225 225 THR H H 1 8.826 0.020 . 1 . . . . 225 THR H . 18267 1 880 . 1 1 225 225 THR C C 13 174.842 0.3 . 1 . . . . 225 THR C . 18267 1 881 . 1 1 225 225 THR CA C 13 62.112 0.3 . 1 . . . . 225 THR CA . 18267 1 882 . 1 1 225 225 THR CB C 13 68.661 0.3 . 1 . . . . 225 THR CB . 18267 1 883 . 1 1 225 225 THR N N 15 120.788 0.3 . 1 . . . . 225 THR N . 18267 1 884 . 1 1 226 226 ASP H H 1 7.434 0.020 . 1 . . . . 226 ASP H . 18267 1 885 . 1 1 226 226 ASP C C 13 173.682 0.3 . 1 . . . . 226 ASP C . 18267 1 886 . 1 1 226 226 ASP CA C 13 53.354 0.3 . 1 . . . . 226 ASP CA . 18267 1 887 . 1 1 226 226 ASP CB C 13 45.089 0.3 . 1 . . . . 226 ASP CB . 18267 1 888 . 1 1 226 226 ASP N N 15 118.757 0.3 . 1 . . . . 226 ASP N . 18267 1 889 . 1 1 227 227 THR H H 1 9.349 0.020 . 1 . . . . 227 THR H . 18267 1 890 . 1 1 227 227 THR CA C 13 62.565 0.3 . 1 . . . . 227 THR CA . 18267 1 891 . 1 1 227 227 THR N N 15 120.309 0.3 . 1 . . . . 227 THR N . 18267 1 892 . 1 1 228 228 LEU C C 13 175.796 0.3 . 1 . . . . 228 LEU C . 18267 1 893 . 1 1 229 229 SER H H 1 7.704 0.020 . 1 . . . . 229 SER H . 18267 1 894 . 1 1 229 229 SER CA C 13 57.273 0.3 . 1 . . . . 229 SER CA . 18267 1 895 . 1 1 229 229 SER CB C 13 64.826 0.3 . 1 . . . . 229 SER CB . 18267 1 896 . 1 1 229 229 SER N N 15 112.029 0.3 . 1 . . . . 229 SER N . 18267 1 897 . 1 1 230 230 LYS C C 13 174.265 0.3 . 1 . . . . 230 LYS C . 18267 1 898 . 1 1 230 230 LYS CA C 13 55.356 0.3 . 1 . . . . 230 LYS CA . 18267 1 899 . 1 1 230 230 LYS CB C 13 33.455 0.3 . 1 . . . . 230 LYS CB . 18267 1 900 . 1 1 231 231 GLY H H 1 8.054 0.020 . 1 . . . . 231 GLY H . 18267 1 901 . 1 1 231 231 GLY CA C 13 43.798 0.3 . 1 . . . . 231 GLY CA . 18267 1 902 . 1 1 231 231 GLY N N 15 115.554 0.3 . 1 . . . . 231 GLY N . 18267 1 903 . 1 1 233 233 THR C C 13 173.787 0.3 . 1 . . . . 233 THR C . 18267 1 904 . 1 1 234 234 LYS H H 1 7.187 0.020 . 1 . . . . 234 LYS H . 18267 1 905 . 1 1 234 234 LYS C C 13 173.684 0.3 . 1 . . . . 234 LYS C . 18267 1 906 . 1 1 234 234 LYS CA C 13 55.609 0.3 . 1 . . . . 234 LYS CA . 18267 1 907 . 1 1 234 234 LYS CB C 13 34.662 0.3 . 1 . . . . 234 LYS CB . 18267 1 908 . 1 1 234 234 LYS N N 15 124.354 0.3 . 1 . . . . 234 LYS N . 18267 1 909 . 1 1 235 235 PHE H H 1 9.477 0.020 . 1 . . . . 235 PHE H . 18267 1 910 . 1 1 235 235 PHE C C 13 172.925 0.3 . 1 . . . . 235 PHE C . 18267 1 911 . 1 1 235 235 PHE CA C 13 55.677 0.3 . 1 . . . . 235 PHE CA . 18267 1 912 . 1 1 235 235 PHE CB C 13 41.815 0.3 . 1 . . . . 235 PHE CB . 18267 1 913 . 1 1 235 235 PHE N N 15 130.350 0.3 . 1 . . . . 235 PHE N . 18267 1 914 . 1 1 236 236 MET H H 1 8.202 0.020 . 1 . . . . 236 MET H . 18267 1 915 . 1 1 236 236 MET C C 13 175.234 0.3 . 1 . . . . 236 MET C . 18267 1 916 . 1 1 236 236 MET CA C 13 53.421 0.3 . 1 . . . . 236 MET CA . 18267 1 917 . 1 1 236 236 MET CB C 13 35.392 0.3 . 1 . . . . 236 MET CB . 18267 1 918 . 1 1 236 236 MET N N 15 126.488 0.3 . 1 . . . . 236 MET N . 18267 1 919 . 1 1 237 237 GLY H H 1 9.188 0.020 . 1 . . . . 237 GLY H . 18267 1 920 . 1 1 237 237 GLY C C 13 171.856 0.3 . 1 . . . . 237 GLY C . 18267 1 921 . 1 1 237 237 GLY CA C 13 45.569 0.3 . 1 . . . . 237 GLY CA . 18267 1 922 . 1 1 237 237 GLY N N 15 112.342 0.3 . 1 . . . . 237 GLY N . 18267 1 923 . 1 1 238 238 VAL H H 1 8.519 0.020 . 1 . . . . 238 VAL H . 18267 1 924 . 1 1 238 238 VAL C C 13 174.007 0.3 . 1 . . . . 238 VAL C . 18267 1 925 . 1 1 238 238 VAL CB C 13 33.919 0.3 . 1 . . . . 238 VAL CB . 18267 1 926 . 1 1 238 238 VAL N N 15 127.005 0.3 . 1 . . . . 238 VAL N . 18267 1 927 . 1 1 239 239 CYS H H 1 9.676 0.020 . 1 . . . . 239 CYS H . 18267 1 928 . 1 1 239 239 CYS CA C 13 54.068 0.3 . 1 . . . . 239 CYS CA . 18267 1 929 . 1 1 239 239 CYS CB C 13 32.316 0.3 . 1 . . . . 239 CYS CB . 18267 1 930 . 1 1 239 239 CYS N N 15 124.523 0.3 . 1 . . . . 239 CYS N . 18267 1 931 . 1 1 240 240 GLN C C 13 174.404 0.3 . 1 . . . . 240 GLN C . 18267 1 932 . 1 1 240 240 GLN CA C 13 54.250 0.3 . 1 . . . . 240 GLN CA . 18267 1 933 . 1 1 241 241 LEU H H 1 9.270 0.020 . 1 . . . . 241 LEU H . 18267 1 934 . 1 1 241 241 LEU CA C 13 52.583 0.3 . 1 . . . . 241 LEU CA . 18267 1 935 . 1 1 241 241 LEU CB C 13 40.406 0.3 . 1 . . . . 241 LEU CB . 18267 1 936 . 1 1 241 241 LEU N N 15 130.716 0.3 . 1 . . . . 241 LEU N . 18267 1 937 . 1 1 242 242 PRO C C 13 176.285 0.3 . 1 . . . . 242 PRO C . 18267 1 938 . 1 1 242 242 PRO CA C 13 61.993 0.3 . 1 . . . . 242 PRO CA . 18267 1 939 . 1 1 242 242 PRO CB C 13 31.189 0.3 . 1 . . . . 242 PRO CB . 18267 1 940 . 1 1 243 243 SER H H 1 8.315 0.020 . 1 . . . . 243 SER H . 18267 1 941 . 1 1 243 243 SER C C 13 175.000 0.3 . 1 . . . . 243 SER C . 18267 1 942 . 1 1 243 243 SER CA C 13 56.725 0.3 . 1 . . . . 243 SER CA . 18267 1 943 . 1 1 243 243 SER CB C 13 64.716 0.3 . 1 . . . . 243 SER CB . 18267 1 944 . 1 1 243 243 SER N N 15 115.690 0.3 . 1 . . . . 243 SER N . 18267 1 945 . 1 1 244 244 GLU H H 1 8.866 0.020 . 1 . . . . 244 GLU H . 18267 1 946 . 1 1 244 244 GLU C C 13 176.374 0.3 . 1 . . . . 244 GLU C . 18267 1 947 . 1 1 244 244 GLU CA C 13 56.239 0.3 . 1 . . . . 244 GLU CA . 18267 1 948 . 1 1 244 244 GLU CB C 13 29.408 0.3 . 1 . . . . 244 GLU CB . 18267 1 949 . 1 1 244 244 GLU N N 15 125.305 0.3 . 1 . . . . 244 GLU N . 18267 1 950 . 1 1 245 245 ASN H H 1 8.389 0.020 . 1 . . . . 245 ASN H . 18267 1 951 . 1 1 245 245 ASN CA C 13 52.908 0.3 . 1 . . . . 245 ASN CA . 18267 1 952 . 1 1 245 245 ASN CB C 13 38.724 0.3 . 1 . . . . 245 ASN CB . 18267 1 953 . 1 1 245 245 ASN N N 15 118.974 0.3 . 1 . . . . 245 ASN N . 18267 1 954 . 1 1 246 246 ASP H H 1 8.327 0.020 . 1 . . . . 246 ASP H . 18267 1 955 . 1 1 246 246 ASP C C 13 176.041 0.3 . 1 . . . . 246 ASP C . 18267 1 956 . 1 1 246 246 ASP CA C 13 55.026 0.3 . 1 . . . . 246 ASP CA . 18267 1 957 . 1 1 246 246 ASP CB C 13 40.083 0.3 . 1 . . . . 246 ASP CB . 18267 1 958 . 1 1 246 246 ASP N N 15 120.414 0.3 . 1 . . . . 246 ASP N . 18267 1 959 . 1 1 247 247 GLU H H 1 8.007 0.020 . 1 . . . . 247 GLU H . 18267 1 960 . 1 1 247 247 GLU C C 13 175.757 0.3 . 1 . . . . 247 GLU C . 18267 1 961 . 1 1 247 247 GLU CA C 13 55.978 0.3 . 1 . . . . 247 GLU CA . 18267 1 962 . 1 1 247 247 GLU CB C 13 29.551 0.3 . 1 . . . . 247 GLU CB . 18267 1 963 . 1 1 247 247 GLU N N 15 119.956 0.3 . 1 . . . . 247 GLU N . 18267 1 964 . 1 1 248 248 ASN H H 1 8.112 0.020 . 1 . . . . 248 ASN H . 18267 1 965 . 1 1 248 248 ASN CA C 13 52.536 0.3 . 1 . . . . 248 ASN CA . 18267 1 966 . 1 1 248 248 ASN CB C 13 38.846 0.3 . 1 . . . . 248 ASN CB . 18267 1 967 . 1 1 248 248 ASN N N 15 120.794 0.3 . 1 . . . . 248 ASN N . 18267 1 968 . 1 1 249 249 GLU H H 1 8.403 0.020 . 1 . . . . 249 GLU H . 18267 1 969 . 1 1 249 249 GLU C C 13 176.707 0.3 . 1 . . . . 249 GLU C . 18267 1 970 . 1 1 249 249 GLU CA C 13 55.833 0.3 . 1 . . . . 249 GLU CA . 18267 1 971 . 1 1 249 249 GLU CB C 13 29.729 0.3 . 1 . . . . 249 GLU CB . 18267 1 972 . 1 1 249 249 GLU N N 15 124.008 0.3 . 1 . . . . 249 GLU N . 18267 1 973 . 1 1 250 250 TYR H H 1 8.946 0.020 . 1 . . . . 250 TYR H . 18267 1 974 . 1 1 250 250 TYR CA C 13 57.205 0.3 . 1 . . . . 250 TYR CA . 18267 1 975 . 1 1 250 250 TYR CB C 13 37.622 0.3 . 1 . . . . 250 TYR CB . 18267 1 976 . 1 1 250 250 TYR N N 15 125.182 0.3 . 1 . . . . 250 TYR N . 18267 1 977 . 1 1 251 251 PRO C C 13 176.009 0.3 . 1 . . . . 251 PRO C . 18267 1 978 . 1 1 251 251 PRO CA C 13 61.890 0.3 . 1 . . . . 251 PRO CA . 18267 1 979 . 1 1 251 251 PRO CB C 13 31.540 0.3 . 1 . . . . 251 PRO CB . 18267 1 980 . 1 1 252 252 HIS H H 1 9.007 0.020 . 1 . . . . 252 HIS H . 18267 1 981 . 1 1 252 252 HIS C C 13 173.989 0.3 . 1 . . . . 252 HIS C . 18267 1 982 . 1 1 252 252 HIS CA C 13 56.970 0.3 . 1 . . . . 252 HIS CA . 18267 1 983 . 1 1 252 252 HIS CB C 13 27.376 0.3 . 1 . . . . 252 HIS CB . 18267 1 984 . 1 1 252 252 HIS N N 15 120.798 0.3 . 1 . . . . 252 HIS N . 18267 1 985 . 1 1 253 253 ARG H H 1 9.071 0.020 . 1 . . . . 253 ARG H . 18267 1 986 . 1 1 253 253 ARG C C 13 176.017 0.3 . 1 . . . . 253 ARG C . 18267 1 987 . 1 1 253 253 ARG CA C 13 51.209 0.3 . 1 . . . . 253 ARG CA . 18267 1 988 . 1 1 253 253 ARG CB C 13 32.265 0.3 . 1 . . . . 253 ARG CB . 18267 1 989 . 1 1 253 253 ARG N N 15 116.538 0.3 . 1 . . . . 253 ARG N . 18267 1 990 . 1 1 254 254 ARG H H 1 8.696 0.020 . 1 . . . . 254 ARG H . 18267 1 991 . 1 1 254 254 ARG CA C 13 54.724 0.3 . 1 . . . . 254 ARG CA . 18267 1 992 . 1 1 254 254 ARG CB C 13 28.409 0.3 . 1 . . . . 254 ARG CB . 18267 1 993 . 1 1 254 254 ARG N N 15 124.408 0.3 . 1 . . . . 254 ARG N . 18267 1 994 . 1 1 258 258 ARG C C 13 173.596 0.3 . 1 . . . . 258 ARG C . 18267 1 995 . 1 1 258 258 ARG CA C 13 53.825 0.3 . 1 . . . . 258 ARG CA . 18267 1 996 . 1 1 258 258 ARG CB C 13 32.511 0.3 . 1 . . . . 258 ARG CB . 18267 1 997 . 1 1 259 259 LEU H H 1 8.897 0.020 . 1 . . . . 259 LEU H . 18267 1 998 . 1 1 259 259 LEU CA C 13 53.179 0.3 . 1 . . . . 259 LEU CA . 18267 1 999 . 1 1 259 259 LEU CB C 13 43.571 0.3 . 1 . . . . 259 LEU CB . 18267 1 1000 . 1 1 259 259 LEU N N 15 127.918 0.3 . 1 . . . . 259 LEU N . 18267 1 1001 . 1 1 261 261 PRO C C 13 178.515 0.3 . 1 . . . . 261 PRO C . 18267 1 1002 . 1 1 261 261 PRO CA C 13 62.099 0.3 . 1 . . . . 261 PRO CA . 18267 1 1003 . 1 1 261 261 PRO CB C 13 31.303 0.3 . 1 . . . . 261 PRO CB . 18267 1 1004 . 1 1 262 262 LYS H H 1 9.371 0.020 . 1 . . . . 262 LYS H . 18267 1 1005 . 1 1 262 262 LYS C C 13 178.433 0.3 . 1 . . . . 262 LYS C . 18267 1 1006 . 1 1 262 262 LYS CA C 13 59.852 0.3 . 1 . . . . 262 LYS CA . 18267 1 1007 . 1 1 262 262 LYS CB C 13 30.983 0.3 . 1 . . . . 262 LYS CB . 18267 1 1008 . 1 1 262 262 LYS N N 15 127.605 0.3 . 1 . . . . 262 LYS N . 18267 1 1009 . 1 1 263 263 ASP H H 1 9.276 0.020 . 1 . . . . 263 ASP H . 18267 1 1010 . 1 1 263 263 ASP C C 13 176.016 0.3 . 1 . . . . 263 ASP C . 18267 1 1011 . 1 1 263 263 ASP CA C 13 54.427 0.3 . 1 . . . . 263 ASP CA . 18267 1 1012 . 1 1 263 263 ASP CB C 13 38.209 0.3 . 1 . . . . 263 ASP CB . 18267 1 1013 . 1 1 263 263 ASP N N 15 114.168 0.3 . 1 . . . . 263 ASP N . 18267 1 1014 . 1 1 264 264 GLN H H 1 7.882 0.020 . 1 . . . . 264 GLN H . 18267 1 1015 . 1 1 264 264 GLN C C 13 177.445 0.3 . 1 . . . . 264 GLN C . 18267 1 1016 . 1 1 264 264 GLN CA C 13 55.388 0.3 . 1 . . . . 264 GLN CA . 18267 1 1017 . 1 1 264 264 GLN CB C 13 28.549 0.3 . 1 . . . . 264 GLN CB . 18267 1 1018 . 1 1 264 264 GLN N N 15 119.785 0.3 . 1 . . . . 264 GLN N . 18267 1 1019 . 1 1 265 265 TYR H H 1 7.448 0.020 . 1 . . . . 265 TYR H . 18267 1 1020 . 1 1 265 265 TYR C C 13 176.328 0.3 . 1 . . . . 265 TYR C . 18267 1 1021 . 1 1 265 265 TYR CA C 13 61.807 0.3 . 1 . . . . 265 TYR CA . 18267 1 1022 . 1 1 265 265 TYR CB C 13 39.124 0.3 . 1 . . . . 265 TYR CB . 18267 1 1023 . 1 1 265 265 TYR N N 15 122.474 0.3 . 1 . . . . 265 TYR N . 18267 1 1024 . 1 1 266 266 TYR H H 1 7.605 0.020 . 1 . . . . 266 TYR H . 18267 1 1025 . 1 1 266 266 TYR C C 13 173.842 0.3 . 1 . . . . 266 TYR C . 18267 1 1026 . 1 1 266 266 TYR CA C 13 63.577 0.3 . 1 . . . . 266 TYR CA . 18267 1 1027 . 1 1 266 266 TYR CB C 13 36.478 0.3 . 1 . . . . 266 TYR CB . 18267 1 1028 . 1 1 266 266 TYR N N 15 116.831 0.3 . 1 . . . . 266 TYR N . 18267 1 1029 . 1 1 267 267 CYS H H 1 9.218 0.020 . 1 . . . . 267 CYS H . 18267 1 1030 . 1 1 267 267 CYS CA C 13 64.494 0.3 . 1 . . . . 267 CYS CA . 18267 1 1031 . 1 1 267 267 CYS CB C 13 25.666 0.3 . 1 . . . . 267 CYS CB . 18267 1 1032 . 1 1 267 267 CYS N N 15 121.724 0.3 . 1 . . . . 267 CYS N . 18267 1 1033 . 1 1 268 268 GLY H H 1 7.496 0.020 . 1 . . . . 268 GLY H . 18267 1 1034 . 1 1 268 268 GLY C C 13 177.250 0.3 . 1 . . . . 268 GLY C . 18267 1 1035 . 1 1 268 268 GLY CA C 13 47.425 0.3 . 1 . . . . 268 GLY CA . 18267 1 1036 . 1 1 268 268 GLY N N 15 111.971 0.3 . 1 . . . . 268 GLY N . 18267 1 1037 . 1 1 269 269 VAL H H 1 8.738 0.020 . 1 . . . . 269 VAL H . 18267 1 1038 . 1 1 269 269 VAL CA C 13 65.749 0.3 . 1 . . . . 269 VAL CA . 18267 1 1039 . 1 1 269 269 VAL CB C 13 31.452 0.3 . 1 . . . . 269 VAL CB . 18267 1 1040 . 1 1 269 269 VAL N N 15 125.674 0.3 . 1 . . . . 269 VAL N . 18267 1 1041 . 1 1 270 270 LEU H H 1 8.373 0.020 . 1 . . . . 270 LEU H . 18267 1 1042 . 1 1 270 270 LEU CA C 13 58.715 0.3 . 1 . . . . 270 LEU CA . 18267 1 1043 . 1 1 270 270 LEU CB C 13 41.977 0.3 . 1 . . . . 270 LEU CB . 18267 1 1044 . 1 1 270 270 LEU N N 15 124.557 0.3 . 1 . . . . 270 LEU N . 18267 1 1045 . 1 1 271 271 TYR H H 1 8.053 0.020 . 1 . . . . 271 TYR H . 18267 1 1046 . 1 1 271 271 TYR C C 13 179.443 0.3 . 1 . . . . 271 TYR C . 18267 1 1047 . 1 1 271 271 TYR CA C 13 61.160 0.3 . 1 . . . . 271 TYR CA . 18267 1 1048 . 1 1 271 271 TYR CB C 13 37.727 0.3 . 1 . . . . 271 TYR CB . 18267 1 1049 . 1 1 271 271 TYR N N 15 122.399 0.3 . 1 . . . . 271 TYR N . 18267 1 1050 . 1 1 272 272 PHE H H 1 9.095 0.020 . 1 . . . . 272 PHE H . 18267 1 1051 . 1 1 272 272 PHE C C 13 178.366 0.3 . 1 . . . . 272 PHE C . 18267 1 1052 . 1 1 272 272 PHE CA C 13 60.848 0.3 . 1 . . . . 272 PHE CA . 18267 1 1053 . 1 1 272 272 PHE CB C 13 36.204 0.3 . 1 . . . . 272 PHE CB . 18267 1 1054 . 1 1 272 272 PHE N N 15 114.994 0.3 . 1 . . . . 272 PHE N . 18267 1 1055 . 1 1 273 273 THR H H 1 7.798 0.020 . 1 . . . . 273 THR H . 18267 1 1056 . 1 1 273 273 THR C C 13 172.658 0.3 . 1 . . . . 273 THR C . 18267 1 1057 . 1 1 273 273 THR CA C 13 66.239 0.3 . 1 . . . . 273 THR CA . 18267 1 1058 . 1 1 273 273 THR CB C 13 68.064 0.3 . 1 . . . . 273 THR CB . 18267 1 1059 . 1 1 273 273 THR N N 15 121.634 0.3 . 1 . . . . 273 THR N . 18267 1 1060 . 1 1 274 274 GLY H H 1 6.968 0.020 . 1 . . . . 274 GLY H . 18267 1 1061 . 1 1 274 274 GLY C C 13 175.100 0.3 . 1 . . . . 274 GLY C . 18267 1 1062 . 1 1 274 274 GLY CA C 13 42.886 0.3 . 1 . . . . 274 GLY CA . 18267 1 1063 . 1 1 274 274 GLY N N 15 108.740 0.3 . 1 . . . . 274 GLY N . 18267 1 1064 . 1 1 275 275 SER H H 1 7.409 0.020 . 1 . . . . 275 SER H . 18267 1 1065 . 1 1 275 275 SER CA C 13 59.125 0.3 . 1 . . . . 275 SER CA . 18267 1 1066 . 1 1 275 275 SER N N 15 116.887 0.3 . 1 . . . . 275 SER N . 18267 1 1067 . 1 1 276 276 ASP C C 13 178.838 0.3 . 1 . . . . 276 ASP C . 18267 1 1068 . 1 1 276 276 ASP CA C 13 52.586 0.3 . 1 . . . . 276 ASP CA . 18267 1 1069 . 1 1 277 277 ILE H H 1 7.910 0.020 . 1 . . . . 277 ILE H . 18267 1 1070 . 1 1 277 277 ILE CA C 13 63.401 0.3 . 1 . . . . 277 ILE CA . 18267 1 1071 . 1 1 277 277 ILE CB C 13 36.897 0.3 . 1 . . . . 277 ILE CB . 18267 1 1072 . 1 1 277 277 ILE N N 15 122.292 0.3 . 1 . . . . 277 ILE N . 18267 1 1073 . 1 1 278 278 PHE H H 1 7.667 0.020 . 1 . . . . 278 PHE H . 18267 1 1074 . 1 1 278 278 PHE C C 13 176.993 0.3 . 1 . . . . 278 PHE C . 18267 1 1075 . 1 1 278 278 PHE CA C 13 61.517 0.3 . 1 . . . . 278 PHE CA . 18267 1 1076 . 1 1 278 278 PHE CB C 13 38.462 0.3 . 1 . . . . 278 PHE CB . 18267 1 1077 . 1 1 278 278 PHE N N 15 124.306 0.3 . 1 . . . . 278 PHE N . 18267 1 1078 . 1 1 279 279 ASN H H 1 8.483 0.020 . 1 . . . . 279 ASN H . 18267 1 1079 . 1 1 279 279 ASN C C 13 178.230 0.3 . 1 . . . . 279 ASN C . 18267 1 1080 . 1 1 279 279 ASN CA C 13 55.515 0.3 . 1 . . . . 279 ASN CA . 18267 1 1081 . 1 1 279 279 ASN CB C 13 37.123 0.3 . 1 . . . . 279 ASN CB . 18267 1 1082 . 1 1 279 279 ASN N N 15 118.842 0.3 . 1 . . . . 279 ASN N . 18267 1 1083 . 1 1 280 280 LYS H H 1 7.645 0.020 . 1 . . . . 280 LYS H . 18267 1 1084 . 1 1 280 280 LYS C C 13 179.433 0.3 . 1 . . . . 280 LYS C . 18267 1 1085 . 1 1 280 280 LYS CA C 13 59.349 0.3 . 1 . . . . 280 LYS CA . 18267 1 1086 . 1 1 280 280 LYS CB C 13 31.146 0.3 . 1 . . . . 280 LYS CB . 18267 1 1087 . 1 1 280 280 LYS N N 15 122.166 0.3 . 1 . . . . 280 LYS N . 18267 1 1088 . 1 1 281 281 ASN H H 1 8.429 0.020 . 1 . . . . 281 ASN H . 18267 1 1089 . 1 1 281 281 ASN C C 13 175.563 0.3 . 1 . . . . 281 ASN C . 18267 1 1090 . 1 1 281 281 ASN CA C 13 55.155 0.3 . 1 . . . . 281 ASN CA . 18267 1 1091 . 1 1 281 281 ASN CB C 13 36.749 0.3 . 1 . . . . 281 ASN CB . 18267 1 1092 . 1 1 281 281 ASN N N 15 122.359 0.3 . 1 . . . . 281 ASN N . 18267 1 1093 . 1 1 282 282 MET H H 1 9.090 0.020 . 1 . . . . 282 MET H . 18267 1 1094 . 1 1 282 282 MET C C 13 177.630 0.3 . 1 . . . . 282 MET C . 18267 1 1095 . 1 1 282 282 MET CA C 13 58.754 0.3 . 1 . . . . 282 MET CA . 18267 1 1096 . 1 1 282 282 MET CB C 13 30.152 0.3 . 1 . . . . 282 MET CB . 18267 1 1097 . 1 1 282 282 MET N N 15 125.560 0.3 . 1 . . . . 282 MET N . 18267 1 1098 . 1 1 283 283 ARG H H 1 8.089 0.020 . 1 . . . . 283 ARG H . 18267 1 1099 . 1 1 283 283 ARG C C 13 178.918 0.3 . 1 . . . . 283 ARG C . 18267 1 1100 . 1 1 283 283 ARG CA C 13 59.481 0.3 . 1 . . . . 283 ARG CA . 18267 1 1101 . 1 1 283 283 ARG CB C 13 29.155 0.3 . 1 . . . . 283 ARG CB . 18267 1 1102 . 1 1 283 283 ARG N N 15 119.599 0.3 . 1 . . . . 283 ARG N . 18267 1 1103 . 1 1 284 284 ALA H H 1 7.761 0.020 . 1 . . . . 284 ALA H . 18267 1 1104 . 1 1 284 284 ALA C C 13 180.256 0.3 . 1 . . . . 284 ALA C . 18267 1 1105 . 1 1 284 284 ALA CA C 13 54.609 0.3 . 1 . . . . 284 ALA CA . 18267 1 1106 . 1 1 284 284 ALA CB C 13 17.280 0.3 . 1 . . . . 284 ALA CB . 18267 1 1107 . 1 1 284 284 ALA N N 15 122.962 0.3 . 1 . . . . 284 ALA N . 18267 1 1108 . 1 1 285 285 HIS H H 1 7.691 0.020 . 1 . . . . 285 HIS H . 18267 1 1109 . 1 1 285 285 HIS CA C 13 59.358 0.3 . 1 . . . . 285 HIS CA . 18267 1 1110 . 1 1 285 285 HIS CB C 13 29.302 0.3 . 1 . . . . 285 HIS CB . 18267 1 1111 . 1 1 285 285 HIS N N 15 120.921 0.3 . 1 . . . . 285 HIS N . 18267 1 1112 . 1 1 286 286 ALA C C 13 179.370 0.3 . 1 . . . . 286 ALA C . 18267 1 1113 . 1 1 286 286 ALA CA C 13 55.110 0.3 . 1 . . . . 286 ALA CA . 18267 1 1114 . 1 1 286 286 ALA CB C 13 17.114 0.3 . 1 . . . . 286 ALA CB . 18267 1 1115 . 1 1 287 287 LEU H H 1 7.693 0.020 . 1 . . . . 287 LEU H . 18267 1 1116 . 1 1 287 287 LEU C C 13 181.477 0.3 . 1 . . . . 287 LEU C . 18267 1 1117 . 1 1 287 287 LEU CA C 13 57.681 0.3 . 1 . . . . 287 LEU CA . 18267 1 1118 . 1 1 287 287 LEU CB C 13 41.253 0.3 . 1 . . . . 287 LEU CB . 18267 1 1119 . 1 1 287 287 LEU N N 15 120.104 0.3 . 1 . . . . 287 LEU N . 18267 1 1120 . 1 1 288 288 GLU H H 1 7.345 0.020 . 1 . . . . 288 GLU H . 18267 1 1121 . 1 1 288 288 GLU C C 13 178.335 0.3 . 1 . . . . 288 GLU C . 18267 1 1122 . 1 1 288 288 GLU CA C 13 58.463 0.3 . 1 . . . . 288 GLU CA . 18267 1 1123 . 1 1 288 288 GLU CB C 13 28.283 0.3 . 1 . . . . 288 GLU CB . 18267 1 1124 . 1 1 288 288 GLU N N 15 121.709 0.3 . 1 . . . . 288 GLU N . 18267 1 1125 . 1 1 289 289 LYS H H 1 7.373 0.020 . 1 . . . . 289 LYS H . 18267 1 1126 . 1 1 289 289 LYS C C 13 175.455 0.3 . 1 . . . . 289 LYS C . 18267 1 1127 . 1 1 289 289 LYS CA C 13 53.491 0.3 . 1 . . . . 289 LYS CA . 18267 1 1128 . 1 1 289 289 LYS CB C 13 30.543 0.3 . 1 . . . . 289 LYS CB . 18267 1 1129 . 1 1 289 289 LYS N N 15 117.320 0.3 . 1 . . . . 289 LYS N . 18267 1 1130 . 1 1 290 290 GLY H H 1 7.724 0.020 . 1 . . . . 290 GLY H . 18267 1 1131 . 1 1 290 290 GLY CA C 13 45.284 0.3 . 1 . . . . 290 GLY CA . 18267 1 1132 . 1 1 290 290 GLY N N 15 107.530 0.3 . 1 . . . . 290 GLY N . 18267 1 1133 . 1 1 291 291 PHE H H 1 8.576 0.020 . 1 . . . . 291 PHE H . 18267 1 1134 . 1 1 291 291 PHE C C 13 173.528 0.3 . 1 . . . . 291 PHE C . 18267 1 1135 . 1 1 291 291 PHE CA C 13 56.227 0.3 . 1 . . . . 291 PHE CA . 18267 1 1136 . 1 1 291 291 PHE CB C 13 42.597 0.3 . 1 . . . . 291 PHE CB . 18267 1 1137 . 1 1 291 291 PHE N N 15 121.407 0.3 . 1 . . . . 291 PHE N . 18267 1 1138 . 1 1 292 292 THR H H 1 8.975 0.020 . 1 . . . . 292 THR H . 18267 1 1139 . 1 1 292 292 THR C C 13 172.984 0.3 . 1 . . . . 292 THR C . 18267 1 1140 . 1 1 292 292 THR CA C 13 57.991 0.3 . 1 . . . . 292 THR CA . 18267 1 1141 . 1 1 292 292 THR CB C 13 69.881 0.3 . 1 . . . . 292 THR CB . 18267 1 1142 . 1 1 292 292 THR N N 15 114.127 0.3 . 1 . . . . 292 THR N . 18267 1 1143 . 1 1 293 293 ILE H H 1 8.013 0.020 . 1 . . . . 293 ILE H . 18267 1 1144 . 1 1 293 293 ILE C C 13 173.886 0.3 . 1 . . . . 293 ILE C . 18267 1 1145 . 1 1 293 293 ILE CA C 13 59.241 0.3 . 1 . . . . 293 ILE CA . 18267 1 1146 . 1 1 293 293 ILE CB C 13 40.776 0.3 . 1 . . . . 293 ILE CB . 18267 1 1147 . 1 1 293 293 ILE N N 15 130.942 0.3 . 1 . . . . 293 ILE N . 18267 1 1148 . 1 1 294 294 ASN H H 1 8.487 0.020 . 1 . . . . 294 ASN H . 18267 1 1149 . 1 1 294 294 ASN C C 13 173.769 0.3 . 1 . . . . 294 ASN C . 18267 1 1150 . 1 1 294 294 ASN CA C 13 50.720 0.3 . 1 . . . . 294 ASN CA . 18267 1 1151 . 1 1 294 294 ASN CB C 13 37.996 0.3 . 1 . . . . 294 ASN CB . 18267 1 1152 . 1 1 294 294 ASN N N 15 128.397 0.3 . 1 . . . . 294 ASN N . 18267 1 1153 . 1 1 295 295 GLU H H 1 9.138 0.020 . 1 . . . . 295 GLU H . 18267 1 1154 . 1 1 295 295 GLU CA C 13 57.823 0.3 . 1 . . . . 295 GLU CA . 18267 1 1155 . 1 1 295 295 GLU CB C 13 27.503 0.3 . 1 . . . . 295 GLU CB . 18267 1 1156 . 1 1 295 295 GLU N N 15 117.773 0.3 . 1 . . . . 295 GLU N . 18267 1 1157 . 1 1 296 296 TYR C C 13 175.869 0.3 . 1 . . . . 296 TYR C . 18267 1 1158 . 1 1 296 296 TYR CB C 13 41.031 0.3 . 1 . . . . 296 TYR CB . 18267 1 1159 . 1 1 297 297 THR H H 1 8.313 0.020 . 1 . . . . 297 THR H . 18267 1 1160 . 1 1 297 297 THR C C 13 172.774 0.3 . 1 . . . . 297 THR C . 18267 1 1161 . 1 1 297 297 THR CA C 13 60.072 0.3 . 1 . . . . 297 THR CA . 18267 1 1162 . 1 1 297 297 THR CB C 13 75.218 0.3 . 1 . . . . 297 THR CB . 18267 1 1163 . 1 1 297 297 THR N N 15 108.647 0.3 . 1 . . . . 297 THR N . 18267 1 1164 . 1 1 298 298 ILE H H 1 9.419 0.020 . 1 . . . . 298 ILE H . 18267 1 1165 . 1 1 298 298 ILE C C 13 177.347 0.3 . 1 . . . . 298 ILE C . 18267 1 1166 . 1 1 298 298 ILE CA C 13 58.477 0.3 . 1 . . . . 298 ILE CA . 18267 1 1167 . 1 1 298 298 ILE CB C 13 39.907 0.3 . 1 . . . . 298 ILE CB . 18267 1 1168 . 1 1 298 298 ILE N N 15 120.103 0.3 . 1 . . . . 298 ILE N . 18267 1 1169 . 1 1 299 299 ARG H H 1 8.292 0.020 . 1 . . . . 299 ARG H . 18267 1 1170 . 1 1 299 299 ARG CA C 13 51.232 0.3 . 1 . . . . 299 ARG CA . 18267 1 1171 . 1 1 299 299 ARG CB C 13 32.402 0.3 . 1 . . . . 299 ARG CB . 18267 1 1172 . 1 1 299 299 ARG N N 15 125.844 0.3 . 1 . . . . 299 ARG N . 18267 1 1173 . 1 1 300 300 PRO C C 13 175.727 0.3 . 1 . . . . 300 PRO C . 18267 1 1174 . 1 1 300 300 PRO CA C 13 61.555 0.3 . 1 . . . . 300 PRO CA . 18267 1 1175 . 1 1 300 300 PRO CB C 13 30.935 0.3 . 1 . . . . 300 PRO CB . 18267 1 1176 . 1 1 301 301 LEU H H 1 7.969 0.020 . 1 . . . . 301 LEU H . 18267 1 1177 . 1 1 301 301 LEU C C 13 177.109 0.3 . 1 . . . . 301 LEU C . 18267 1 1178 . 1 1 301 301 LEU CA C 13 53.364 0.3 . 1 . . . . 301 LEU CA . 18267 1 1179 . 1 1 301 301 LEU CB C 13 42.442 0.3 . 1 . . . . 301 LEU CB . 18267 1 1180 . 1 1 301 301 LEU N N 15 123.898 0.3 . 1 . . . . 301 LEU N . 18267 1 1181 . 1 1 302 302 GLY H H 1 8.056 0.020 . 1 . . . . 302 GLY H . 18267 1 1182 . 1 1 302 302 GLY C C 13 176.016 0.3 . 1 . . . . 302 GLY C . 18267 1 1183 . 1 1 302 302 GLY CA C 13 43.851 0.3 . 1 . . . . 302 GLY CA . 18267 1 1184 . 1 1 302 302 GLY N N 15 111.556 0.3 . 1 . . . . 302 GLY N . 18267 1 1185 . 1 1 303 303 VAL H H 1 8.438 0.020 . 1 . . . . 303 VAL H . 18267 1 1186 . 1 1 303 303 VAL CA C 13 63.986 0.3 . 1 . . . . 303 VAL CA . 18267 1 1187 . 1 1 303 303 VAL N N 15 119.764 0.3 . 1 . . . . 303 VAL N . 18267 1 1188 . 1 1 304 304 THR C C 13 175.141 0.3 . 1 . . . . 304 THR C . 18267 1 1189 . 1 1 304 304 THR CA C 13 60.781 0.3 . 1 . . . . 304 THR CA . 18267 1 1190 . 1 1 304 304 THR CB C 13 68.690 0.3 . 1 . . . . 304 THR CB . 18267 1 1191 . 1 1 305 305 GLY H H 1 7.901 0.020 . 1 . . . . 305 GLY H . 18267 1 1192 . 1 1 305 305 GLY C C 13 173.114 0.3 . 1 . . . . 305 GLY C . 18267 1 1193 . 1 1 305 305 GLY CA C 13 45.096 0.3 . 1 . . . . 305 GLY CA . 18267 1 1194 . 1 1 305 305 GLY N N 15 110.467 0.3 . 1 . . . . 305 GLY N . 18267 1 1195 . 1 1 306 306 VAL H H 1 7.404 0.020 . 1 . . . . 306 VAL H . 18267 1 1196 . 1 1 306 306 VAL C C 13 171.754 0.3 . 1 . . . . 306 VAL C . 18267 1 1197 . 1 1 306 306 VAL CA C 13 61.197 0.3 . 1 . . . . 306 VAL CA . 18267 1 1198 . 1 1 306 306 VAL CB C 13 31.428 0.3 . 1 . . . . 306 VAL CB . 18267 1 1199 . 1 1 306 306 VAL N N 15 121.435 0.3 . 1 . . . . 306 VAL N . 18267 1 1200 . 1 1 307 307 ALA H H 1 8.644 0.020 . 1 . . . . 307 ALA H . 18267 1 1201 . 1 1 307 307 ALA C C 13 178.097 0.3 . 1 . . . . 307 ALA C . 18267 1 1202 . 1 1 307 307 ALA CA C 13 51.653 0.3 . 1 . . . . 307 ALA CA . 18267 1 1203 . 1 1 307 307 ALA CB C 13 18.418 0.3 . 1 . . . . 307 ALA CB . 18267 1 1204 . 1 1 307 307 ALA N N 15 133.284 0.3 . 1 . . . . 307 ALA N . 18267 1 1205 . 1 1 308 308 GLY H H 1 8.577 0.020 . 1 . . . . 308 GLY H . 18267 1 1206 . 1 1 308 308 GLY C C 13 172.650 0.3 . 1 . . . . 308 GLY C . 18267 1 1207 . 1 1 308 308 GLY CA C 13 42.853 0.3 . 1 . . . . 308 GLY CA . 18267 1 1208 . 1 1 308 308 GLY N N 15 110.534 0.3 . 1 . . . . 308 GLY N . 18267 1 1209 . 1 1 309 309 GLU H H 1 8.180 0.020 . 1 . . . . 309 GLU H . 18267 1 1210 . 1 1 309 309 GLU CA C 13 54.398 0.3 . 1 . . . . 309 GLU CA . 18267 1 1211 . 1 1 309 309 GLU CB C 13 27.803 0.3 . 1 . . . . 309 GLU CB . 18267 1 1212 . 1 1 309 309 GLU N N 15 121.223 0.3 . 1 . . . . 309 GLU N . 18267 1 1213 . 1 1 310 310 PRO C C 13 176.959 0.3 . 1 . . . . 310 PRO C . 18267 1 1214 . 1 1 310 310 PRO CA C 13 62.881 0.3 . 1 . . . . 310 PRO CA . 18267 1 1215 . 1 1 310 310 PRO CB C 13 31.642 0.3 . 1 . . . . 310 PRO CB . 18267 1 1216 . 1 1 311 311 LEU H H 1 8.359 0.020 . 1 . . . . 311 LEU H . 18267 1 1217 . 1 1 311 311 LEU CA C 13 52.222 0.3 . 1 . . . . 311 LEU CA . 18267 1 1218 . 1 1 311 311 LEU CB C 13 39.785 0.3 . 1 . . . . 311 LEU CB . 18267 1 1219 . 1 1 311 311 LEU N N 15 127.156 0.3 . 1 . . . . 311 LEU N . 18267 1 1220 . 1 1 312 312 PRO C C 13 177.560 0.3 . 1 . . . . 312 PRO C . 18267 1 1221 . 1 1 312 312 PRO CA C 13 62.801 0.3 . 1 . . . . 312 PRO CA . 18267 1 1222 . 1 1 312 312 PRO CB C 13 30.912 0.3 . 1 . . . . 312 PRO CB . 18267 1 1223 . 1 1 313 313 VAL H H 1 9.216 0.020 . 1 . . . . 313 VAL H . 18267 1 1224 . 1 1 313 313 VAL C C 13 175.158 0.3 . 1 . . . . 313 VAL C . 18267 1 1225 . 1 1 313 313 VAL CA C 13 62.285 0.3 . 1 . . . . 313 VAL CA . 18267 1 1226 . 1 1 313 313 VAL CB C 13 34.859 0.3 . 1 . . . . 313 VAL CB . 18267 1 1227 . 1 1 313 313 VAL N N 15 127.789 0.3 . 1 . . . . 313 VAL N . 18267 1 1228 . 1 1 314 314 ASP H H 1 9.968 0.020 . 1 . . . . 314 ASP H . 18267 1 1229 . 1 1 314 314 ASP C C 13 173.579 0.3 . 1 . . . . 314 ASP C . 18267 1 1230 . 1 1 314 314 ASP CA C 13 53.517 0.3 . 1 . . . . 314 ASP CA . 18267 1 1231 . 1 1 314 314 ASP CB C 13 42.469 0.3 . 1 . . . . 314 ASP CB . 18267 1 1232 . 1 1 314 314 ASP N N 15 131.061 0.3 . 1 . . . . 314 ASP N . 18267 1 1233 . 1 1 315 315 SER H H 1 7.378 0.020 . 1 . . . . 315 SER H . 18267 1 1234 . 1 1 315 315 SER C C 13 173.934 0.3 . 1 . . . . 315 SER C . 18267 1 1235 . 1 1 315 315 SER CA C 13 56.559 0.3 . 1 . . . . 315 SER CA . 18267 1 1236 . 1 1 315 315 SER CB C 13 63.589 0.3 . 1 . . . . 315 SER CB . 18267 1 1237 . 1 1 315 315 SER N N 15 112.213 0.3 . 1 . . . . 315 SER N . 18267 1 1238 . 1 1 316 316 GLU H H 1 8.965 0.020 . 1 . . . . 316 GLU H . 18267 1 1239 . 1 1 316 316 GLU C C 13 179.189 0.3 . 1 . . . . 316 GLU C . 18267 1 1240 . 1 1 316 316 GLU CA C 13 60.219 0.3 . 1 . . . . 316 GLU CA . 18267 1 1241 . 1 1 316 316 GLU CB C 13 30.911 0.3 . 1 . . . . 316 GLU CB . 18267 1 1242 . 1 1 316 316 GLU N N 15 120.216 0.3 . 1 . . . . 316 GLU N . 18267 1 1243 . 1 1 317 317 GLN H H 1 8.509 0.020 . 1 . . . . 317 GLN H . 18267 1 1244 . 1 1 317 317 GLN C C 13 176.962 0.3 . 1 . . . . 317 GLN C . 18267 1 1245 . 1 1 317 317 GLN CA C 13 59.638 0.3 . 1 . . . . 317 GLN CA . 18267 1 1246 . 1 1 317 317 GLN CB C 13 26.316 0.3 . 1 . . . . 317 GLN CB . 18267 1 1247 . 1 1 317 317 GLN N N 15 119.717 0.3 . 1 . . . . 317 GLN N . 18267 1 1248 . 1 1 318 318 ASP H H 1 7.586 0.020 . 1 . . . . 318 ASP H . 18267 1 1249 . 1 1 318 318 ASP C C 13 177.340 0.3 . 1 . . . . 318 ASP C . 18267 1 1250 . 1 1 318 318 ASP CA C 13 57.129 0.3 . 1 . . . . 318 ASP CA . 18267 1 1251 . 1 1 318 318 ASP CB C 13 40.374 0.3 . 1 . . . . 318 ASP CB . 18267 1 1252 . 1 1 318 318 ASP N N 15 118.941 0.3 . 1 . . . . 318 ASP N . 18267 1 1253 . 1 1 319 319 ILE H H 1 7.332 0.020 . 1 . . . . 319 ILE H . 18267 1 1254 . 1 1 319 319 ILE C C 13 176.775 0.3 . 1 . . . . 319 ILE C . 18267 1 1255 . 1 1 319 319 ILE CA C 13 65.698 0.3 . 1 . . . . 319 ILE CA . 18267 1 1256 . 1 1 319 319 ILE CB C 13 37.160 0.3 . 1 . . . . 319 ILE CB . 18267 1 1257 . 1 1 319 319 ILE N N 15 118.144 0.3 . 1 . . . . 319 ILE N . 18267 1 1258 . 1 1 320 320 PHE H H 1 7.007 0.020 . 1 . . . . 320 PHE H . 18267 1 1259 . 1 1 320 320 PHE C C 13 177.551 0.3 . 1 . . . . 320 PHE C . 18267 1 1260 . 1 1 320 320 PHE CA C 13 62.066 0.3 . 1 . . . . 320 PHE CA . 18267 1 1261 . 1 1 320 320 PHE CB C 13 36.715 0.3 . 1 . . . . 320 PHE CB . 18267 1 1262 . 1 1 320 320 PHE N N 15 116.510 0.3 . 1 . . . . 320 PHE N . 18267 1 1263 . 1 1 321 321 ASP H H 1 8.456 0.020 . 1 . . . . 321 ASP H . 18267 1 1264 . 1 1 321 321 ASP C C 13 180.586 0.3 . 1 . . . . 321 ASP C . 18267 1 1265 . 1 1 321 321 ASP CA C 13 56.942 0.3 . 1 . . . . 321 ASP CA . 18267 1 1266 . 1 1 321 321 ASP CB C 13 39.060 0.3 . 1 . . . . 321 ASP CB . 18267 1 1267 . 1 1 321 321 ASP N N 15 119.483 0.3 . 1 . . . . 321 ASP N . 18267 1 1268 . 1 1 322 322 TYR H H 1 7.989 0.020 . 1 . . . . 322 TYR H . 18267 1 1269 . 1 1 322 322 TYR C C 13 177.174 0.3 . 1 . . . . 322 TYR C . 18267 1 1270 . 1 1 322 322 TYR CA C 13 61.166 0.3 . 1 . . . . 322 TYR CA . 18267 1 1271 . 1 1 322 322 TYR CB C 13 36.830 0.3 . 1 . . . . 322 TYR CB . 18267 1 1272 . 1 1 322 322 TYR N N 15 120.901 0.3 . 1 . . . . 322 TYR N . 18267 1 1273 . 1 1 323 323 ILE H H 1 6.720 0.020 . 1 . . . . 323 ILE H . 18267 1 1274 . 1 1 323 323 ILE C C 13 173.245 0.3 . 1 . . . . 323 ILE C . 18267 1 1275 . 1 1 323 323 ILE CA C 13 59.895 0.3 . 1 . . . . 323 ILE CA . 18267 1 1276 . 1 1 323 323 ILE CB C 13 36.725 0.3 . 1 . . . . 323 ILE CB . 18267 1 1277 . 1 1 323 323 ILE N N 15 106.600 0.3 . 1 . . . . 323 ILE N . 18267 1 1278 . 1 1 324 324 GLN H H 1 7.792 0.020 . 1 . . . . 324 GLN H . 18267 1 1279 . 1 1 324 324 GLN C C 13 175.044 0.3 . 1 . . . . 324 GLN C . 18267 1 1280 . 1 1 324 324 GLN CA C 13 56.303 0.3 . 1 . . . . 324 GLN CA . 18267 1 1281 . 1 1 324 324 GLN CB C 13 25.302 0.3 . 1 . . . . 324 GLN CB . 18267 1 1282 . 1 1 324 324 GLN N N 15 117.809 0.3 . 1 . . . . 324 GLN N . 18267 1 1283 . 1 1 325 325 TRP H H 1 8.455 0.020 . 1 . . . . 325 TRP H . 18267 1 1284 . 1 1 325 325 TRP CA C 13 52.986 0.3 . 1 . . . . 325 TRP CA . 18267 1 1285 . 1 1 325 325 TRP CB C 13 33.551 0.3 . 1 . . . . 325 TRP CB . 18267 1 1286 . 1 1 325 325 TRP N N 15 122.868 0.3 . 1 . . . . 325 TRP N . 18267 1 1287 . 1 1 326 326 ARG H H 1 8.182 0.020 . 1 . . . . 326 ARG H . 18267 1 1288 . 1 1 326 326 ARG C C 13 175.873 0.3 . 1 . . . . 326 ARG C . 18267 1 1289 . 1 1 326 326 ARG CA C 13 55.673 0.3 . 1 . . . . 326 ARG CA . 18267 1 1290 . 1 1 326 326 ARG CB C 13 29.052 0.3 . 1 . . . . 326 ARG CB . 18267 1 1291 . 1 1 326 326 ARG N N 15 124.869 0.3 . 1 . . . . 326 ARG N . 18267 1 1292 . 1 1 327 327 TYR H H 1 8.642 0.020 . 1 . . . . 327 TYR H . 18267 1 1293 . 1 1 327 327 TYR CA C 13 59.877 0.3 . 1 . . . . 327 TYR CA . 18267 1 1294 . 1 1 327 327 TYR CB C 13 37.180 0.3 . 1 . . . . 327 TYR CB . 18267 1 1295 . 1 1 327 327 TYR N N 15 126.257 0.3 . 1 . . . . 327 TYR N . 18267 1 1296 . 1 1 330 330 PRO C C 13 176.552 0.3 . 1 . . . . 330 PRO C . 18267 1 1297 . 1 1 330 330 PRO CA C 13 66.069 0.3 . 1 . . . . 330 PRO CA . 18267 1 1298 . 1 1 330 330 PRO CB C 13 31.441 0.3 . 1 . . . . 330 PRO CB . 18267 1 1299 . 1 1 331 331 LYS H H 1 8.148 0.020 . 1 . . . . 331 LYS H . 18267 1 1300 . 1 1 331 331 LYS C C 13 176.605 0.3 . 1 . . . . 331 LYS C . 18267 1 1301 . 1 1 331 331 LYS CA C 13 57.194 0.3 . 1 . . . . 331 LYS CA . 18267 1 1302 . 1 1 331 331 LYS CB C 13 30.215 0.3 . 1 . . . . 331 LYS CB . 18267 1 1303 . 1 1 331 331 LYS N N 15 114.055 0.3 . 1 . . . . 331 LYS N . 18267 1 1304 . 1 1 332 332 ASP H H 1 7.834 0.020 . 1 . . . . 332 ASP H . 18267 1 1305 . 1 1 332 332 ASP C C 13 175.936 0.3 . 1 . . . . 332 ASP C . 18267 1 1306 . 1 1 332 332 ASP CA C 13 53.640 0.3 . 1 . . . . 332 ASP CA . 18267 1 1307 . 1 1 332 332 ASP CB C 13 40.617 0.3 . 1 . . . . 332 ASP CB . 18267 1 1308 . 1 1 332 332 ASP N N 15 121.002 0.3 . 1 . . . . 332 ASP N . 18267 1 1309 . 1 1 333 333 ARG H H 1 7.139 0.020 . 1 . . . . 333 ARG H . 18267 1 1310 . 1 1 333 333 ARG C C 13 174.993 0.3 . 1 . . . . 333 ARG C . 18267 1 1311 . 1 1 333 333 ARG CA C 13 55.001 0.3 . 1 . . . . 333 ARG CA . 18267 1 1312 . 1 1 333 333 ARG CB C 13 28.378 0.3 . 1 . . . . 333 ARG CB . 18267 1 1313 . 1 1 333 333 ARG N N 15 121.271 0.3 . 1 . . . . 333 ARG N . 18267 1 1314 . 1 1 334 334 SER H H 1 7.822 0.020 . 1 . . . . 334 SER H . 18267 1 1315 . 1 1 334 334 SER C C 13 175.447 0.3 . 1 . . . . 334 SER C . 18267 1 1316 . 1 1 334 334 SER CA C 13 60.817 0.3 . 1 . . . . 334 SER CA . 18267 1 1317 . 1 1 334 334 SER CB C 13 61.961 0.3 . 1 . . . . 334 SER CB . 18267 1 1318 . 1 1 334 334 SER N N 15 116.931 0.3 . 1 . . . . 334 SER N . 18267 1 1319 . 1 1 335 335 GLU H H 1 7.761 0.020 . 1 . . . . 335 GLU H . 18267 1 1320 . 1 1 335 335 GLU CA C 13 57.073 0.3 . 1 . . . . 335 GLU CA . 18267 1 1321 . 1 1 335 335 GLU CB C 13 31.055 0.3 . 1 . . . . 335 GLU CB . 18267 1 1322 . 1 1 335 335 GLU N N 15 127.799 0.3 . 1 . . . . 335 GLU N . 18267 1 stop_ save_