data_17917 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shift assignments for the C-terminal domain of yeast Tfg1. ; _BMRB_accession_number 17917 _BMRB_flat_file_name bmr17917.str _Entry_type original _Submission_date 2011-09-06 _Accession_date 2011-09-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kilpatrick Adina M. . 2 Koharudin Leonardus M.I. . 3 Gronenborn Angela M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 124 "13C chemical shifts" 179 "15N chemical shifts" 61 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-12-14 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17916 Tfg2 stop_ _Original_release_date 2011-12-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural and binding studies of the C-terminal domains of yeast TFIIF subunits Tfg1 and Tfg2.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22095626 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kilpatrick Adina M. . 2 Koharudin Leonardus M.I. . 3 Calero Guillermo A. . 4 Gronenborn Angela M. . stop_ _Journal_abbreviation Proteins _Journal_name_full Proteins _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2011 _Details . loop_ _Keyword CS-ROSETTA NMR 'transcription factor' 'winged-helix fold' yeast stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Tfg1 C-terminal domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Tfg1 $Tfg1_C-terminal_domain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Tfg1_C-terminal_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Tfg1_C-terminal_domain _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 62 _Mol_residue_sequence ; MASTITEKDIIEAIGDGKVN IKEFGKFIRRKYPGAENKKL MFAIVKKLCRKVGNDHMELK KE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 674 MET 2 675 ALA 3 676 SER 4 677 THR 5 678 ILE 6 679 THR 7 680 GLU 8 681 LYS 9 682 ASP 10 683 ILE 11 684 ILE 12 685 GLU 13 686 ALA 14 687 ILE 15 688 GLY 16 689 ASP 17 690 GLY 18 691 LYS 19 692 VAL 20 693 ASN 21 694 ILE 22 695 LYS 23 696 GLU 24 697 PHE 25 698 GLY 26 699 LYS 27 700 PHE 28 701 ILE 29 702 ARG 30 703 ARG 31 704 LYS 32 705 TYR 33 706 PRO 34 707 GLY 35 708 ALA 36 709 GLU 37 710 ASN 38 711 LYS 39 712 LYS 40 713 LEU 41 714 MET 42 715 PHE 43 716 ALA 44 717 ILE 45 718 VAL 46 719 LYS 47 720 LYS 48 721 LEU 49 722 CYS 50 723 ARG 51 724 LYS 52 725 VAL 53 726 GLY 54 727 ASN 55 728 ASP 56 729 HIS 57 730 MET 58 731 GLU 59 732 LEU 60 733 LYS 61 734 LYS 62 735 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-22 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value DBJ GAA23558 "K7_Tfg1p [Saccharomyces cerevisiae Kyokai no. 7]" 98.39 735 98.36 98.36 2.61e-31 EMBL CAA67530 "unnamed protein product [Saccharomyces cerevisiae]" 98.39 735 98.36 98.36 2.41e-31 EMBL CAA97212 "TFG1 [Saccharomyces cerevisiae]" 98.39 735 98.36 98.36 2.41e-31 EMBL CAY79945 "Tfg1p [Saccharomyces cerevisiae EC1118]" 98.39 735 98.36 98.36 2.48e-31 GB AAA61640 "transcription initiation factor TFIIF large subunit [Saccharomyces cerevisiae]" 98.39 735 98.36 98.36 2.41e-31 GB AAA68478 "Ssu71p [Saccharomyces cerevisiae]" 98.39 735 98.36 98.36 2.41e-31 GB AHY79527 "Tfg1p [Saccharomyces cerevisiae YJM993]" 98.39 735 98.36 98.36 2.41e-31 GB AJP38957 "Tfg1p [Saccharomyces cerevisiae YJM1078]" 98.39 735 98.36 98.36 2.41e-31 GB AJR76277 "Tfg1p [Saccharomyces cerevisiae YJM189]" 98.39 735 98.36 98.36 2.48e-31 REF NP_011702 "transcription factor IIF subunit TFG1 [Saccharomyces cerevisiae S288c]" 98.39 735 98.36 98.36 2.41e-31 SP P41895 "RecName: Full=Transcription initiation factor IIF subunit alpha; Short=TFIIF-alpha; AltName: Full=TFIIF large subunit; AltName:" 98.39 735 98.36 98.36 2.41e-31 TPG DAA08280 "TPA: transcription factor IIF subunit TFG1 [Saccharomyces cerevisiae S288c]" 98.39 735 98.36 98.36 2.41e-31 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Tfg1_C-terminal_domain 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Tfg1_C-terminal_domain 'recombinant technology' . Escherichia coli . pET-18 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Tfg1_C-terminal_domain . mM 1 1.5 '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 20 mM . . 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6.2 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D H(CCO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Tfg1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 674 1 MET H H 8.42 0.02 1 2 674 1 MET HA H 4.46 0.02 1 3 674 1 MET C C 176.04 0.05 1 4 674 1 MET CA C 55.52 0.05 1 5 674 1 MET CB C 33.05 0.05 1 6 674 1 MET N N 122.36 0.05 1 7 675 2 ALA H H 8.42 0.02 1 8 675 2 ALA HA H 4.40 0.02 1 9 675 2 ALA C C 177.94 0.05 1 10 675 2 ALA CA C 52.44 0.05 1 11 675 2 ALA CB C 19.53 0.05 1 12 675 2 ALA N N 125.74 0.05 1 13 676 3 SER H H 8.35 0.02 1 14 676 3 SER C C 174.65 0.05 1 15 676 3 SER CA C 58.41 0.05 1 16 676 3 SER CB C 64.14 0.05 1 17 676 3 SER N N 115.61 0.05 1 18 677 4 THR H H 8.31 0.02 1 19 677 4 THR HA H 4.89 0.02 1 20 677 4 THR C C 174.52 0.05 1 21 677 4 THR CA C 61.45 0.05 1 22 677 4 THR CB C 70.78 0.05 1 23 677 4 THR N N 117.33 0.05 1 24 678 5 ILE H H 8.02 0.02 1 25 678 5 ILE HA H 3.53 0.02 1 26 678 5 ILE C C 172.76 0.05 1 27 678 5 ILE CA C 61.74 0.05 1 28 678 5 ILE CB C 39.48 0.05 1 29 678 5 ILE N N 126.81 0.05 1 30 679 6 THR H H 8.25 0.02 1 31 679 6 THR HA H 4.70 0.02 1 32 679 6 THR C C 175.97 0.05 1 33 679 6 THR CA C 59.67 0.05 1 34 679 6 THR CB C 73.76 0.05 1 35 679 6 THR N N 114.34 0.05 1 36 680 7 GLU H H 8.99 0.02 1 37 680 7 GLU HA H 3.81 0.02 1 38 680 7 GLU C C 178.40 0.05 1 39 680 7 GLU CA C 61.00 0.05 1 40 680 7 GLU CB C 29.35 0.05 1 41 680 7 GLU N N 120.11 0.05 1 42 681 8 LYS H H 8.05 0.02 1 43 681 8 LYS HA H 3.92 0.02 1 44 681 8 LYS C C 178.13 0.05 1 45 681 8 LYS CA C 59.57 0.05 1 46 681 8 LYS CB C 32.37 0.05 1 47 681 8 LYS N N 117.63 0.05 1 48 682 9 ASP H H 7.36 0.02 1 49 682 9 ASP HA H 4.39 0.02 1 50 682 9 ASP C C 179.57 0.05 1 51 682 9 ASP CA C 57.68 0.05 1 52 682 9 ASP CB C 41.47 0.05 1 53 682 9 ASP N N 116.73 0.05 1 54 683 10 ILE H H 7.28 0.02 1 55 683 10 ILE HA H 3.90 0.02 1 56 683 10 ILE C C 177.00 0.05 1 57 683 10 ILE CA C 63.53 0.05 1 58 683 10 ILE CB C 36.36 0.05 1 59 683 10 ILE N N 119.78 0.05 1 60 684 11 ILE H H 8.34 0.02 1 61 684 11 ILE HA H 3.65 0.02 1 62 684 11 ILE C C 179.89 0.05 1 63 684 11 ILE CA C 65.87 0.05 1 64 684 11 ILE CB C 38.82 0.05 1 65 684 11 ILE N N 120.87 0.05 1 66 685 12 GLU H H 8.39 0.02 1 67 685 12 GLU HA H 4.01 0.02 1 68 685 12 GLU C C 178.47 0.05 1 69 685 12 GLU CA C 58.79 0.05 1 70 685 12 GLU CB C 29.66 0.05 1 71 685 12 GLU N N 117.76 0.05 1 72 686 13 ALA H H 7.55 0.02 1 73 686 13 ALA HA H 4.30 0.02 1 74 686 13 ALA C C 178.99 0.05 1 75 686 13 ALA CA C 54.24 0.05 1 76 686 13 ALA CB C 19.35 0.05 1 77 686 13 ALA N N 119.50 0.05 1 78 687 14 ILE H H 7.93 0.02 1 79 687 14 ILE HA H 3.72 0.02 1 80 687 14 ILE C C 177.30 0.05 1 81 687 14 ILE CA C 64.03 0.05 1 82 687 14 ILE CB C 39.07 0.05 1 83 687 14 ILE N N 117.09 0.05 1 84 688 15 GLY H H 7.95 0.02 1 85 688 15 GLY HA2 H 3.89 0.02 2 86 688 15 GLY HA3 H 3.89 0.02 2 87 688 15 GLY C C 174.52 0.05 1 88 688 15 GLY CA C 46.05 0.05 1 89 688 15 GLY N N 107.28 0.05 1 90 689 16 ASP H H 8.46 0.02 1 91 689 16 ASP HA H 4.69 0.02 1 92 689 16 ASP C C 177.11 0.05 1 93 689 16 ASP CA C 54.54 0.05 1 94 689 16 ASP CB C 41.20 0.05 1 95 689 16 ASP N N 121.50 0.05 1 96 690 17 GLY H H 7.98 0.02 1 97 690 17 GLY HA2 H 4.47 0.02 2 98 690 17 GLY HA3 H 3.80 0.02 2 99 690 17 GLY C C 173.01 0.05 1 100 690 17 GLY CA C 44.55 0.05 1 101 690 17 GLY N N 108.49 0.05 1 102 691 18 LYS H H 8.24 0.02 1 103 691 18 LYS HA H 5.15 0.02 1 104 691 18 LYS C C 177.22 0.05 1 105 691 18 LYS CA C 54.55 0.05 1 106 691 18 LYS CB C 34.81 0.05 1 107 691 18 LYS N N 118.35 0.05 1 108 692 19 VAL H H 8.91 0.02 1 109 692 19 VAL HA H 4.87 0.02 1 110 692 19 VAL C C 175.31 0.05 1 111 692 19 VAL CA C 58.95 0.05 1 112 692 19 VAL CB C 34.90 0.05 1 113 692 19 VAL N N 114.47 0.05 1 114 693 20 ASN H H 9.17 0.02 1 115 693 20 ASN C C 175.84 0.05 1 116 693 20 ASN CA C 53.89 0.05 1 117 693 20 ASN CB C 39.80 0.05 1 118 693 20 ASN N N 124.87 0.05 1 119 694 21 ILE H H 8.42 0.02 1 120 694 21 ILE HA H 3.42 0.02 1 121 694 21 ILE C C 178.27 0.05 1 122 694 21 ILE CA C 66.94 0.05 1 123 694 21 ILE CB C 38.85 0.05 1 124 694 21 ILE N N 128.46 0.05 1 125 695 22 LYS H H 8.43 0.02 1 126 695 22 LYS HA H 4.15 0.02 1 127 695 22 LYS C C 180.72 0.05 1 128 695 22 LYS CA C 59.80 0.05 1 129 695 22 LYS CB C 32.14 0.05 1 130 695 22 LYS N N 121.89 0.05 1 131 696 23 GLU H H 8.63 0.02 1 132 696 23 GLU HA H 4.05 0.02 1 133 696 23 GLU C C 179.89 0.05 1 134 696 23 GLU CA C 59.21 0.05 1 135 696 23 GLU CB C 29.72 0.05 1 136 696 23 GLU N N 120.56 0.05 1 137 697 24 PHE H H 9.07 0.02 1 138 697 24 PHE HA H 4.42 0.02 1 139 697 24 PHE C C 177.64 0.05 1 140 697 24 PHE CA C 61.79 0.05 1 141 697 24 PHE CB C 39.49 0.05 1 142 697 24 PHE N N 122.62 0.05 1 143 698 25 GLY H H 8.40 0.02 1 144 698 25 GLY HA2 H 4.00 0.02 2 145 698 25 GLY HA3 H 3.61 0.02 2 146 698 25 GLY C C 176.12 0.05 1 147 698 25 GLY CA C 47.47 0.05 1 148 698 25 GLY N N 105.64 0.05 1 149 699 26 LYS H H 7.51 0.02 1 150 699 26 LYS HA H 3.95 0.02 1 151 699 26 LYS C C 178.94 0.05 1 152 699 26 LYS CA C 59.63 0.05 1 153 699 26 LYS CB C 32.69 0.05 1 154 699 26 LYS N N 120.41 0.05 1 155 700 27 PHE H H 7.78 0.02 1 156 700 27 PHE HA H 4.21 0.02 1 157 700 27 PHE C C 177.88 0.05 1 158 700 27 PHE CA C 60.58 0.05 1 159 700 27 PHE CB C 39.05 0.05 1 160 700 27 PHE N N 120.40 0.05 1 161 701 28 ILE H H 8.51 0.02 1 162 701 28 ILE HA H 3.51 0.02 1 163 701 28 ILE C C 177.81 0.05 1 164 701 28 ILE CA C 60.93 0.05 1 165 701 28 ILE CB C 36.22 0.05 1 166 701 28 ILE N N 120.02 0.05 1 167 702 29 ARG H H 7.82 0.02 1 168 702 29 ARG HA H 3.91 0.02 1 169 702 29 ARG C C 178.06 0.05 1 170 702 29 ARG CA C 58.67 0.05 1 171 702 29 ARG CB C 29.81 0.05 1 172 702 29 ARG N N 118.75 0.05 1 173 703 30 ARG H H 7.15 0.02 1 174 703 30 ARG HA H 4.01 0.02 1 175 703 30 ARG C C 177.91 0.05 1 176 703 30 ARG CA C 58.27 0.05 1 177 703 30 ARG CB C 30.15 0.05 1 178 703 30 ARG N N 116.75 0.05 1 179 704 31 LYS H H 7.26 0.02 1 180 704 31 LYS HA H 3.75 0.02 1 181 704 31 LYS C C 176.01 0.05 1 182 704 31 LYS CA C 57.84 0.05 1 183 704 31 LYS CB C 33.51 0.05 1 184 704 31 LYS N N 118.33 0.05 1 185 705 32 TYR H H 8.12 0.02 1 186 705 32 TYR CA C 55.06 0.05 1 187 705 32 TYR CB C 38.02 0.05 1 188 705 32 TYR N N 116.58 0.05 1 189 706 33 PRO HA H 4.74 0.02 1 190 706 33 PRO C C 179.26 0.05 1 191 706 33 PRO CA C 63.28 0.05 1 192 706 33 PRO CB C 33.50 0.05 1 193 707 34 GLY H H 8.53 0.02 1 194 707 34 GLY HA2 H 4.70 0.02 2 195 707 34 GLY HA3 H 3.93 0.02 2 196 707 34 GLY C C 176.08 0.05 1 197 707 34 GLY CA C 44.87 0.05 1 198 707 34 GLY N N 108.11 0.05 1 199 708 35 ALA H H 8.69 0.02 1 200 708 35 ALA HA H 4.13 0.02 1 201 708 35 ALA C C 181.21 0.05 1 202 708 35 ALA CA C 55.58 0.05 1 203 708 35 ALA CB C 19.14 0.05 1 204 708 35 ALA N N 124.13 0.05 1 205 709 36 GLU H H 8.74 0.02 1 206 709 36 GLU HA H 4.13 0.02 1 207 709 36 GLU C C 179.55 0.05 1 208 709 36 GLU CA C 59.68 0.05 1 209 709 36 GLU CB C 28.56 0.05 1 210 709 36 GLU N N 120.28 0.05 1 211 710 37 ASN H H 8.50 0.02 1 212 710 37 ASN HA H 4.63 0.02 1 213 710 37 ASN C C 177.57 0.05 1 214 710 37 ASN CA C 55.39 0.05 1 215 710 37 ASN CB C 39.10 0.05 1 216 710 37 ASN N N 118.17 0.05 1 217 711 38 LYS H H 7.80 0.02 1 218 711 38 LYS HA H 3.83 0.02 1 219 711 38 LYS C C 177.93 0.05 1 220 711 38 LYS CA C 60.43 0.05 1 221 711 38 LYS CB C 32.36 0.05 1 222 711 38 LYS N N 121.91 0.05 1 223 712 39 LYS H H 7.59 0.02 1 224 712 39 LYS HA H 4.11 0.02 1 225 712 39 LYS C C 180.64 0.05 1 226 712 39 LYS CA C 59.73 0.05 1 227 712 39 LYS CB C 32.54 0.05 1 228 712 39 LYS N N 118.11 0.05 1 229 713 40 LEU H H 8.15 0.02 1 230 713 40 LEU HA H 4.15 0.02 1 231 713 40 LEU C C 179.13 0.05 1 232 713 40 LEU CA C 57.79 0.05 1 233 713 40 LEU CB C 42.50 0.05 1 234 713 40 LEU N N 120.63 0.05 1 235 714 41 MET H H 8.70 0.02 1 236 714 41 MET HA H 3.74 0.02 1 237 714 41 MET C C 177.84 0.05 1 238 714 41 MET CA C 60.09 0.05 1 239 714 41 MET CB C 31.23 0.05 1 240 714 41 MET N N 118.59 0.05 1 241 715 42 PHE H H 8.06 0.02 1 242 715 42 PHE HA H 4.28 0.02 1 243 715 42 PHE C C 178.75 0.05 1 244 715 42 PHE CA C 61.24 0.05 1 245 715 42 PHE CB C 38.53 0.05 1 246 715 42 PHE N N 117.63 0.05 1 247 716 43 ALA H H 7.69 0.02 1 248 716 43 ALA HA H 4.13 0.02 1 249 716 43 ALA C C 180.64 0.05 1 250 716 43 ALA CA C 55.17 0.05 1 251 716 43 ALA CB C 18.47 0.05 1 252 716 43 ALA N N 121.58 0.05 1 253 717 44 ILE H H 8.74 0.02 1 254 717 44 ILE HA H 3.71 0.02 1 255 717 44 ILE C C 178.57 0.05 1 256 717 44 ILE CA C 65.82 0.05 1 257 717 44 ILE CB C 38.48 0.05 1 258 717 44 ILE N N 120.28 0.05 1 259 718 45 VAL H H 8.71 0.02 1 260 718 45 VAL HA H 3.67 0.02 1 261 718 45 VAL C C 178.37 0.05 1 262 718 45 VAL CA C 66.95 0.05 1 263 718 45 VAL CB C 31.65 0.05 1 264 718 45 VAL N N 119.67 0.05 1 265 719 46 LYS H H 7.66 0.02 1 266 719 46 LYS HA H 4.04 0.02 1 267 719 46 LYS C C 178.24 0.05 1 268 719 46 LYS CA C 59.02 0.05 1 269 719 46 LYS CB C 32.26 0.05 1 270 719 46 LYS N N 118.80 0.05 1 271 720 47 LYS H H 7.37 0.02 1 272 720 47 LYS HA H 4.22 0.02 1 273 720 47 LYS C C 179.06 0.05 1 274 720 47 LYS CA C 58.82 0.05 1 275 720 47 LYS CB C 33.79 0.05 1 276 720 47 LYS N N 117.16 0.05 1 277 721 48 LEU H H 8.48 0.02 1 278 721 48 LEU HA H 4.46 0.02 1 279 721 48 LEU C C 178.97 0.05 1 280 721 48 LEU CA C 56.49 0.05 1 281 721 48 LEU CB C 45.19 0.05 1 282 721 48 LEU N N 114.57 0.05 1 283 722 49 CYS H H 8.28 0.02 1 284 722 49 CYS HA H 5.30 0.02 1 285 722 49 CYS C C 173.40 0.05 1 286 722 49 CYS CA C 58.46 0.05 1 287 722 49 CYS CB C 31.68 0.05 1 288 722 49 CYS N N 115.58 0.05 1 289 723 50 ARG H H 9.10 0.02 1 290 723 50 ARG HA H 4.81 0.02 1 291 723 50 ARG C C 175.12 0.05 1 292 723 50 ARG CA C 53.65 0.05 1 293 723 50 ARG CB C 33.79 0.05 1 294 723 50 ARG N N 118.21 0.05 1 295 724 51 LYS H H 8.71 0.02 1 296 724 51 LYS HA H 4.44 0.02 1 297 724 51 LYS C C 176.76 0.05 1 298 724 51 LYS CA C 57.63 0.05 1 299 724 51 LYS CB C 33.01 0.05 1 300 724 51 LYS N N 123.60 0.05 1 301 725 52 VAL H H 8.34 0.02 1 302 725 52 VAL HA H 4.17 0.02 1 303 725 52 VAL C C 176.09 0.05 1 304 725 52 VAL CA C 61.48 0.05 1 305 725 52 VAL CB C 33.15 0.05 1 306 725 52 VAL N N 124.52 0.05 1 307 726 53 GLY H H 8.59 0.02 1 308 726 53 GLY HA2 H 4.16 0.02 2 309 726 53 GLY HA3 H 3.79 0.02 2 310 726 53 GLY C C 174.10 0.05 1 311 726 53 GLY CA C 45.43 0.05 1 312 726 53 GLY N N 114.53 0.05 1 313 727 54 ASN H H 8.94 0.02 1 314 727 54 ASN HA H 4.74 0.02 1 315 727 54 ASN C C 177.42 0.05 1 316 727 54 ASN CA C 54.96 0.05 1 317 727 54 ASN CB C 39.64 0.05 1 318 727 54 ASN N N 117.95 0.05 1 319 728 55 ASP H H 8.75 0.02 1 320 728 55 ASP HA H 4.95 0.02 1 321 728 55 ASP C C 176.24 0.05 1 322 728 55 ASP CA C 54.59 0.05 1 323 728 55 ASP CB C 43.05 0.05 1 324 728 55 ASP N N 114.69 0.05 1 325 729 56 HIS H H 7.61 0.02 1 326 729 56 HIS HA H 5.77 0.02 1 327 729 56 HIS C C 174.13 0.05 1 328 729 56 HIS CA C 56.47 0.05 1 329 729 56 HIS CB C 34.34 0.05 1 330 729 56 HIS N N 118.00 0.05 1 331 730 57 MET H H 9.15 0.02 1 332 730 57 MET HA H 5.33 0.02 1 333 730 57 MET C C 172.14 0.05 1 334 730 57 MET CA C 55.04 0.05 1 335 730 57 MET CB C 35.95 0.05 1 336 730 57 MET N N 115.15 0.05 1 337 731 58 GLU H H 8.78 0.02 1 338 731 58 GLU HA H 4.91 0.02 1 339 731 58 GLU C C 175.45 0.05 1 340 731 58 GLU CA C 53.43 0.05 1 341 731 58 GLU CB C 33.66 0.05 1 342 731 58 GLU N N 116.41 0.05 1 343 732 59 LEU H H 9.13 0.02 1 344 732 59 LEU HA H 4.50 0.02 1 345 732 59 LEU C C 178.47 0.05 1 346 732 59 LEU CA C 55.62 0.05 1 347 732 59 LEU CB C 41.90 0.05 1 348 732 59 LEU N N 120.86 0.05 1 349 733 60 LYS H H 8.72 0.02 1 350 733 60 LYS HA H 3.98 0.02 1 351 733 60 LYS C C 176.72 0.05 1 352 733 60 LYS CA C 57.76 0.05 1 353 733 60 LYS CB C 33.13 0.05 1 354 733 60 LYS N N 122.12 0.05 1 355 734 61 LYS H H 8.23 0.02 1 356 734 61 LYS HA H 4.38 0.02 1 357 734 61 LYS C C 175.66 0.05 1 358 734 61 LYS CA C 56.00 0.05 1 359 734 61 LYS CB C 33.18 0.05 1 360 734 61 LYS N N 122.97 0.05 1 361 735 62 GLU H H 7.97 0.02 1 362 735 62 GLU CA C 57.95 0.05 1 363 735 62 GLU CB C 31.07 0.05 1 364 735 62 GLU N N 126.24 0.05 1 stop_ save_