data_27263 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the actin-binding domain of the TARP protein from Chlamydia. ; _BMRB_accession_number 27263 _BMRB_flat_file_name bmr27263.str _Entry_type original _Submission_date 2017-09-24 _Accession_date 2017-09-24 _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 Tolchard James . . 2 Walpole Samuel J. . 3 Miles Andrew J. . 4 Maytum Robin M. . 5 Eaglen Lawrence A. . 6 Hackstadt Ted . . 7 Wallace Bonnie A. . 8 Blumenschein Tharin M.A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 78 "13C chemical shifts" 236 "15N chemical shifts" 78 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-03-28 update BMRB 'update entry citation' 2018-01-31 original author 'original release' stop_ _Original_release_date 2017-09-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The intrinsically disordered Tarp protein from chlamydia binds actin with a partially preformed helix ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29386631 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tolchard James . . 2 Walpole Samuel J. . 3 Miles Andrew J. . 4 Maytum Robin M. . 5 Eaglen Lawrence A. . 6 Hackstadt Ted . . 7 Wallace Bonnie A. . 8 Blumenschein Tharin M.A. . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_volume 8 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1960 _Page_last 1960 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Translocated actin-recruiting phosphoprotein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Translocated actin-recruiting phosphoprotein' $Translocated_actin-recruiting_phosphoprotein stop_ _System_molecular_weight . _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Translocated_actin-recruiting_phosphoprotein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Translocated_actin-recruiting_phosphoprotein _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 105 _Mol_residue_sequence ; GPLGSDDSGSVSSSESDKNA SVGNDGPAMKDILSAVRKHL DVVYPGDNGGSTEGPLQANQ TLGDIVQDMETTGTSQETVV SPWKGSTSSTGSAGGSGSVQ TLLPS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 PRO 3 3 LEU 4 4 GLY 5 5 SER 6 726 ASP 7 727 ASP 8 728 SER 9 729 GLY 10 730 SER 11 731 VAL 12 732 SER 13 733 SER 14 734 SER 15 735 GLU 16 736 SER 17 737 ASP 18 738 LYS 19 739 ASN 20 740 ALA 21 741 SER 22 742 VAL 23 743 GLY 24 744 ASN 25 745 ASP 26 746 GLY 27 747 PRO 28 748 ALA 29 749 MET 30 750 LYS 31 751 ASP 32 752 ILE 33 753 LEU 34 754 SER 35 755 ALA 36 756 VAL 37 757 ARG 38 758 LYS 39 759 HIS 40 760 LEU 41 761 ASP 42 762 VAL 43 763 VAL 44 764 TYR 45 765 PRO 46 766 GLY 47 767 ASP 48 768 ASN 49 769 GLY 50 770 GLY 51 771 SER 52 772 THR 53 773 GLU 54 774 GLY 55 775 PRO 56 776 LEU 57 777 GLN 58 778 ALA 59 779 ASN 60 780 GLN 61 781 THR 62 782 LEU 63 783 GLY 64 784 ASP 65 785 ILE 66 786 VAL 67 787 GLN 68 788 ASP 69 789 MET 70 790 GLU 71 791 THR 72 792 THR 73 793 GLY 74 794 THR 75 795 SER 76 796 GLN 77 797 GLU 78 798 THR 79 799 VAL 80 800 VAL 81 801 SER 82 802 PRO 83 803 TRP 84 804 LYS 85 805 GLY 86 806 SER 87 807 THR 88 808 SER 89 809 SER 90 810 THR 91 811 GLY 92 812 SER 93 813 ALA 94 814 GLY 95 815 GLY 96 816 SER 97 817 GLY 98 818 SER 99 819 VAL 100 820 GLN 101 821 THR 102 822 LEU 103 823 LEU 104 824 PRO 105 825 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $Translocated_actin-recruiting_phosphoprotein 'Chlamydia trachomatis' 813 Bacteria . Chlamydia trachomatis 'Serovar L2' 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 $Translocated_actin-recruiting_phosphoprotein 'recombinant technology' . Escherichia coli 'BL21 (DE3*)' pGEX-6P-1 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 _Isotopic_labeling $Translocated_actin-recruiting_phosphoprotein 1 mM '[U-100% 13C; U-100% 15N]' TRIS 2 mM 'natural abundance' DSS 200 uM 'natural abundance' 'sodium azide' 0.03 '% w/v' 'natural abundance' D2O 10 '% v/v' 'natural abundance' 'Calcium Chloride' 0.2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CcpNMR_Analysis _Saveframe_category software _Name CcpNMR_Analysis _Version 2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HNN_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNN' _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' 0.2 . mM pH 7.5 . 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_ _Software_label $CcpNMR_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HNN' 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 'Translocated actin-recruiting phosphoprotein' _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 1 726 6 ASP H H 8.4624 0.00 1 2 726 6 ASP C C 176.0171 0.00 1 3 726 6 ASP CA C 54.3596 0.03 1 4 726 6 ASP CB C 41.1585 0.01 1 5 726 6 ASP N N 122.1032 0.02 1 6 727 7 ASP H H 8.2981 0.00 1 7 727 7 ASP C C 176.7615 0.01 1 8 727 7 ASP CA C 54.3532 0.02 1 9 727 7 ASP CB C 41.1716 0.00 1 10 727 7 ASP N N 121.1944 0.03 1 11 728 8 SER H H 8.3927 0.00 1 12 728 8 SER C C 175.4497 0.00 1 13 728 8 SER CA C 59.3927 0.01 1 14 728 8 SER CB C 63.8244 0.02 1 15 728 8 SER N N 116.7354 0.04 1 16 729 9 GLY H H 8.4861 0.00 1 17 729 9 GLY C C 174.3040 0.01 1 18 729 9 GLY CA C 45.5117 0.01 1 19 729 9 GLY N N 110.8053 0.03 1 20 730 10 SER H H 8.1327 0.00 1 21 730 10 SER C C 174.6143 0.01 1 22 730 10 SER CA C 58.3703 0.05 1 23 730 10 SER CB C 63.9136 0.07 1 24 730 10 SER N N 115.7177 0.03 1 25 731 11 VAL H H 8.1879 0.00 1 26 731 11 VAL C C 176.3074 0.00 1 27 731 11 VAL CA C 62.3335 0.03 1 28 731 11 VAL CB C 32.7428 0.06 1 29 731 11 VAL N N 121.6440 0.03 1 30 732 12 SER H H 8.4500 0.00 1 31 732 12 SER C C 174.7297 0.03 1 32 732 12 SER CA C 58.3228 0.07 1 33 732 12 SER CB C 63.9343 0.04 1 34 732 12 SER N N 119.6454 0.04 1 35 733 13 SER H H 8.4585 0.00 1 36 733 13 SER C C 174.7727 0.00 1 37 733 13 SER CA C 58.5187 0.08 1 38 733 13 SER CB C 63.9267 0.06 1 39 733 13 SER N N 118.3268 0.06 1 40 734 14 SER H H 8.4460 0.00 1 41 734 14 SER C C 174.8909 0.01 1 42 734 14 SER CA C 58.6576 0.07 1 43 734 14 SER CB C 63.8768 0.03 1 44 734 14 SER N N 117.9084 0.07 1 45 735 15 GLU H H 8.4492 0.00 1 46 735 15 GLU C C 176.9405 0.02 1 47 735 15 GLU CA C 57.0603 0.12 1 48 735 15 GLU CB C 30.1282 0.06 1 49 735 15 GLU N N 122.6724 0.05 1 50 736 16 SER H H 8.2426 0.00 1 51 736 16 SER C C 174.6361 0.02 1 52 736 16 SER CA C 59.0211 0.04 1 53 736 16 SER CB C 63.7286 0.07 1 54 736 16 SER N N 116.0899 0.06 1 55 737 17 ASP H H 8.2875 0.00 1 56 737 17 ASP C C 176.8207 0.01 1 57 737 17 ASP CA C 54.5149 0.10 1 58 737 17 ASP CB C 40.9637 0.02 1 59 737 17 ASP N N 122.2000 0.03 1 60 738 18 LYS H H 8.1860 0.00 1 61 738 18 LYS C C 176.8294 0.01 1 62 738 18 LYS CA C 56.9079 0.05 1 63 738 18 LYS CB C 32.5785 0.04 1 64 738 18 LYS N N 121.6615 0.04 1 65 739 19 ASN H H 8.3612 0.00 1 66 739 19 ASN C C 175.1019 0.03 1 67 739 19 ASN CA C 53.4869 0.06 1 68 739 19 ASN CB C 38.9313 0.05 1 69 739 19 ASN N N 118.8014 0.03 1 70 740 20 ALA H H 8.0938 0.00 1 71 740 20 ALA C C 177.7893 0.01 1 72 740 20 ALA CA C 52.8494 0.03 1 73 740 20 ALA CB C 19.2249 0.00 1 74 740 20 ALA N N 124.0319 0.07 1 75 741 21 SER H H 8.2709 0.00 1 76 741 21 SER C C 174.6363 0.00 1 77 741 21 SER CA C 58.3888 0.04 1 78 741 21 SER CB C 63.8068 0.04 1 79 741 21 SER N N 115.0156 0.03 1 80 742 22 VAL H H 8.0875 0.00 1 81 742 22 VAL C C 176.6373 0.01 1 82 742 22 VAL CA C 62.4280 0.03 1 83 742 22 VAL CB C 32.6849 0.04 1 84 742 22 VAL N N 121.3376 0.02 1 85 743 23 GLY H H 8.4427 0.00 1 86 743 23 GLY C C 173.9899 0.00 1 87 743 23 GLY CA C 45.3164 0.01 1 88 743 23 GLY N N 111.9891 0.04 1 89 744 24 ASN H H 8.3652 0.00 1 90 744 24 ASN C C 174.9079 0.04 1 91 744 24 ASN CA C 53.3298 0.07 1 92 744 24 ASN CB C 39.1049 0.08 1 93 744 24 ASN N N 118.8133 0.03 1 94 745 25 ASP H H 8.4164 0.00 1 95 745 25 ASP C C 176.2586 0.01 1 96 745 25 ASP CA C 54.3139 0.02 1 97 745 25 ASP CB C 41.2743 0.01 1 98 745 25 ASP N N 120.3761 0.04 1 99 746 26 GLY H H 8.1568 0.00 1 100 746 26 GLY C C 172.0453 0.00 1 101 746 26 GLY CA C 44.9569 0.00 1 102 746 26 GLY N N 108.9081 0.03 1 103 747 27 PRO C C 177.0108 0.01 1 104 747 27 PRO CA C 63.4243 0.01 1 105 747 27 PRO CB C 32.0561 0.00 1 106 748 28 ALA H H 8.3736 0.00 1 107 748 28 ALA C C 178.1997 0.01 1 108 748 28 ALA CA C 52.7119 0.02 1 109 748 28 ALA CB C 19.0234 0.01 1 110 748 28 ALA N N 123.4937 0.04 1 111 749 29 MET H H 8.2759 0.00 1 112 749 29 MET C C 176.5381 0.01 1 113 749 29 MET CA C 55.7586 0.03 1 114 749 29 MET CB C 32.4660 0.08 1 115 749 29 MET N N 119.4994 0.03 1 116 750 30 LYS H H 8.2251 0.00 1 117 750 30 LYS C C 176.4984 0.02 1 118 750 30 LYS CA C 56.9681 0.04 1 119 750 30 LYS CB C 32.9426 0.02 1 120 750 30 LYS N N 121.3880 0.07 1 121 751 31 ASP H H 8.2378 0.00 1 122 751 31 ASP C C 176.6876 0.01 1 123 751 31 ASP CA C 54.6809 0.02 1 124 751 31 ASP CB C 41.0404 0.01 1 125 751 31 ASP N N 120.8130 0.07 1 126 752 32 ILE H H 8.0147 0.00 1 127 752 32 ILE C C 176.8425 0.02 1 128 752 32 ILE CA C 62.0641 0.01 1 129 752 32 ILE CB C 38.4886 0.04 1 130 752 32 ILE N N 121.0190 0.04 1 131 753 33 LEU H H 8.2436 0.00 1 132 753 33 LEU C C 177.9098 0.00 1 133 753 33 LEU CA C 55.7279 0.04 1 134 753 33 LEU CB C 41.9974 0.08 1 135 753 33 LEU N N 123.8435 0.03 1 136 754 34 SER H H 8.0796 0.00 1 137 754 34 SER C C 174.6089 0.00 1 138 754 34 SER CA C 58.9929 0.03 1 139 754 34 SER CB C 63.6445 0.03 1 140 754 34 SER N N 115.6563 0.03 1 141 755 35 ALA H H 8.1223 0.00 1 142 755 35 ALA C C 177.9178 0.00 1 143 755 35 ALA CA C 52.9247 0.01 1 144 755 35 ALA CB C 19.1610 0.01 1 145 755 35 ALA N N 125.3440 0.04 1 146 756 36 VAL H H 7.9244 0.00 1 147 756 36 VAL C C 176.3422 0.02 1 148 756 36 VAL CA C 62.7430 0.05 1 149 756 36 VAL CB C 32.4762 0.06 1 150 756 36 VAL N N 118.5597 0.03 1 151 757 37 ARG H H 8.2565 0.00 1 152 757 37 ARG C C 176.0960 0.01 1 153 757 37 ARG CA C 56.0651 0.05 1 154 757 37 ARG CB C 30.6963 0.02 1 155 757 37 ARG N N 124.4513 0.05 1 156 758 38 LYS H H 8.2716 0.00 1 157 758 38 LYS C C 176.2007 0.03 1 158 758 38 LYS CA C 56.4606 0.03 1 159 758 38 LYS CB C 33.1354 0.03 1 160 758 38 LYS N N 122.6533 0.07 1 161 759 39 HIS H H 8.3746 0.00 1 162 759 39 HIS C C 174.9454 0.00 1 163 759 39 HIS CA C 56.1460 0.09 1 164 759 39 HIS CB C 30.2022 0.11 1 165 759 39 HIS N N 120.5006 0.03 1 166 760 40 LEU H H 8.1713 0.01 1 167 760 40 LEU C C 176.6510 0.01 1 168 760 40 LEU CA C 55.1487 0.06 1 169 760 40 LEU CB C 42.5315 0.01 1 170 760 40 LEU N N 123.4963 0.07 1 171 761 41 ASP H H 8.3474 0.00 1 172 761 41 ASP C C 175.7881 0.01 1 173 761 41 ASP CA C 54.4335 0.03 1 174 761 41 ASP CB C 41.1287 0.01 1 175 761 41 ASP N N 121.2757 0.04 1 176 762 42 VAL H H 7.9251 0.00 1 177 762 42 VAL C C 175.4009 0.03 1 178 762 42 VAL CA C 62.0993 0.04 1 179 762 42 VAL CB C 33.0059 0.05 1 180 762 42 VAL N N 120.0586 0.03 1 181 763 43 VAL H H 8.1062 0.00 1 182 763 43 VAL C C 175.4659 0.01 1 183 763 43 VAL CA C 61.9785 0.00 1 184 763 43 VAL CB C 32.9324 0.06 1 185 763 43 VAL N N 124.2056 0.03 1 186 764 44 TYR H H 8.5008 0.00 1 187 764 44 TYR C C 174.2324 0.00 1 188 764 44 TYR CA C 55.5754 0.00 1 189 764 44 TYR CB C 38.3559 0.00 1 190 764 44 TYR N N 126.1592 0.03 1 191 765 45 PRO C C 177.3508 0.00 1 192 765 45 PRO CA C 63.5746 0.03 1 193 765 45 PRO CB C 31.9897 0.02 1 194 766 46 GLY H H 8.0048 0.00 1 195 766 46 GLY C C 173.8943 0.01 1 196 766 46 GLY CA C 45.1848 0.02 1 197 766 46 GLY N N 108.6171 0.02 1 198 767 47 ASP H H 8.2050 0.00 1 199 767 47 ASP C C 176.4070 0.02 1 200 767 47 ASP CA C 54.3872 0.04 1 201 767 47 ASP CB C 41.3083 0.01 1 202 767 47 ASP N N 120.1960 0.16 1 203 768 48 ASN H H 8.5173 0.00 1 204 768 48 ASN C C 176.0021 0.00 1 205 768 48 ASN CA C 53.3852 0.04 1 206 768 48 ASN CB C 38.8378 0.01 1 207 768 48 ASN N N 119.3741 0.03 1 208 769 49 GLY H H 8.5005 0.00 1 209 769 49 GLY C C 174.8264 0.00 1 210 769 49 GLY CA C 45.7572 0.02 1 211 769 49 GLY N N 109.1308 0.04 1 212 770 50 GLY H H 8.2582 0.00 1 213 770 50 GLY C C 174.2314 0.01 1 214 770 50 GLY CA C 45.2957 0.03 1 215 770 50 GLY N N 108.6454 0.03 1 216 771 51 SER H H 8.2304 0.00 1 217 771 51 SER C C 175.0694 0.01 1 218 771 51 SER CA C 58.2375 0.07 1 219 771 51 SER CB C 63.9544 0.05 1 220 771 51 SER N N 115.5005 0.03 1 221 772 52 THR H H 8.3183 0.00 1 222 772 52 THR C C 174.5678 0.02 1 223 772 52 THR CA C 61.9907 0.03 1 224 772 52 THR CB C 69.6668 0.01 1 225 772 52 THR N N 115.9333 0.04 1 226 773 53 GLU H H 8.3810 0.00 1 227 773 53 GLU C C 176.4926 0.00 1 228 773 53 GLU CA C 56.5836 0.01 1 229 773 53 GLU CB C 30.5482 0.01 1 230 773 53 GLU N N 122.9326 0.03 1 231 774 54 GLY H H 8.2513 0.00 1 232 774 54 GLY C C 171.8067 0.00 1 233 774 54 GLY CA C 44.6692 0.00 1 234 774 54 GLY N N 110.1647 0.04 1 235 775 55 PRO C C 177.2030 0.02 1 236 775 55 PRO CA C 63.1353 0.00 1 237 775 55 PRO CB C 32.1150 0.01 1 238 776 56 LEU H H 8.3330 0.00 1 239 776 56 LEU C C 177.5698 0.00 1 240 776 56 LEU CA C 55.3529 0.03 1 241 776 56 LEU CB C 42.2144 0.03 1 242 776 56 LEU N N 122.0599 0.05 1 243 777 57 GLN H H 8.3272 0.00 1 244 777 57 GLN C C 175.7386 0.02 1 245 777 57 GLN CA C 55.7531 0.01 1 246 777 57 GLN CB C 29.4596 0.02 1 247 777 57 GLN N N 121.3644 0.07 1 248 778 58 ALA H H 8.3361 0.00 1 249 778 58 ALA C C 177.5049 0.02 1 250 778 58 ALA CA C 52.7275 0.01 1 251 778 58 ALA CB C 19.2070 0.02 1 252 778 58 ALA N N 125.1319 0.07 1 253 779 59 ASN H H 8.4195 0.00 1 254 779 59 ASN C C 175.2569 0.00 1 255 779 59 ASN CA C 53.4124 0.04 1 256 779 59 ASN CB C 38.6822 0.03 1 257 779 59 ASN N N 117.5813 0.02 1 258 780 60 GLN H H 8.3628 0.00 1 259 780 60 GLN C C 176.0733 0.02 1 260 780 60 GLN CA C 56.0212 0.07 1 261 780 60 GLN CB C 29.6419 0.01 1 262 780 60 GLN N N 120.7467 0.05 1 263 781 61 THR H H 8.2936 0.00 1 264 781 61 THR C C 174.5088 0.01 1 265 781 61 THR CA C 61.9368 0.03 1 266 781 61 THR CB C 69.8551 0.01 1 267 781 61 THR N N 115.8261 0.03 1 268 782 62 LEU H H 8.3163 0.00 1 269 782 62 LEU C C 177.7068 0.00 1 270 782 62 LEU CA C 55.4514 0.05 1 271 782 62 LEU CB C 42.3895 0.02 1 272 782 62 LEU N N 124.7993 0.04 1 273 783 63 GLY H H 8.3219 0.00 1 274 783 63 GLY C C 173.6969 0.03 1 275 783 63 GLY CA C 45.1869 0.03 1 276 783 63 GLY N N 109.3288 0.03 1 277 784 64 ASP H H 8.1979 0.00 1 278 784 64 ASP C C 176.1031 0.02 1 279 784 64 ASP CA C 54.4508 0.04 1 280 784 64 ASP CB C 41.2264 0.04 1 281 784 64 ASP N N 120.4148 0.04 1 282 785 65 ILE H H 8.0724 0.00 1 283 785 65 ILE C C 176.2413 0.04 1 284 785 65 ILE CA C 61.1082 0.03 1 285 785 65 ILE CB C 38.7029 0.05 1 286 785 65 ILE N N 120.8845 0.03 1 287 786 66 VAL H H 8.2619 0.00 1 288 786 66 VAL C C 176.0295 0.02 1 289 786 66 VAL CA C 62.4303 0.04 1 290 786 66 VAL CB C 32.5991 0.04 1 291 786 66 VAL N N 125.4138 0.05 1 292 787 67 GLN H H 8.4763 0.00 1 293 787 67 GLN C C 175.4532 0.01 1 294 787 67 GLN CA C 55.7684 0.03 1 295 787 67 GLN CB C 29.7536 0.01 1 296 787 67 GLN N N 124.8613 0.03 1 297 788 68 ASP H H 8.4121 0.00 1 298 788 68 ASP C C 176.2611 0.00 1 299 788 68 ASP CA C 54.4847 0.02 1 300 788 68 ASP CB C 41.1027 0.02 1 301 788 68 ASP N N 122.0920 0.02 1 302 789 69 MET H H 8.3749 0.00 1 303 789 69 MET C C 176.4486 0.01 1 304 789 69 MET CA C 55.7051 0.04 1 305 789 69 MET CB C 32.9610 0.04 1 306 789 69 MET N N 120.9131 0.03 1 307 790 70 GLU H H 8.5171 0.00 1 308 790 70 GLU C C 176.9704 0.01 1 309 790 70 GLU CA C 56.9648 0.04 1 310 790 70 GLU CB C 30.1800 0.03 1 311 790 70 GLU N N 121.8521 0.03 1 312 791 71 THR H H 8.2435 0.00 1 313 791 71 THR C C 174.9499 0.00 1 314 791 71 THR CA C 61.9857 0.03 1 315 791 71 THR CB C 69.7731 0.05 1 316 791 71 THR N N 114.8827 0.03 1 317 792 72 THR H H 8.1944 0.00 1 318 792 72 THR C C 175.2089 0.02 1 319 792 72 THR CA C 62.2212 0.02 1 320 792 72 THR CB C 69.8650 0.02 1 321 792 72 THR N N 116.0790 0.03 1 322 793 73 GLY H H 8.4614 0.00 1 323 793 73 GLY C C 174.4304 0.04 1 324 793 73 GLY CA C 45.4936 0.02 1 325 793 73 GLY N N 111.2704 0.05 1 326 794 74 THR H H 8.1069 0.00 1 327 794 74 THR C C 174.7665 0.01 1 328 794 74 THR CA C 61.7580 0.02 1 329 794 74 THR CB C 70.0101 0.01 1 330 794 74 THR N N 113.3849 0.04 1 331 795 75 SER H H 8.4283 0.00 1 332 795 75 SER C C 174.6050 0.02 1 333 795 75 SER CA C 58.4495 0.05 1 334 795 75 SER CB C 63.8211 0.03 1 335 795 75 SER N N 118.2393 0.04 1 336 796 76 GLN H H 8.4949 0.00 1 337 796 76 GLN C C 175.9552 0.01 1 338 796 76 GLN CA C 55.9576 0.00 1 339 796 76 GLN CB C 29.4571 0.03 1 340 796 76 GLN N N 122.3098 0.04 1 341 797 77 GLU H H 8.4394 0.00 1 342 797 77 GLU C C 176.6258 0.01 1 343 797 77 GLU CA C 56.8139 0.00 1 344 797 77 GLU CB C 30.3732 0.00 1 345 797 77 GLU N N 121.8709 0.03 1 346 798 78 THR H H 8.2428 0.00 1 347 798 78 THR C C 174.2961 0.00 1 348 798 78 THR CA C 62.2933 0.05 1 349 798 78 THR CB C 69.7863 0.00 1 350 798 78 THR N N 116.1584 0.05 1 351 799 79 VAL H H 8.1947 0.00 1 352 799 79 VAL C C 175.9286 0.03 1 353 799 79 VAL CA C 62.2712 0.07 1 354 799 79 VAL CB C 32.7455 0.05 1 355 799 79 VAL N N 123.8353 0.02 1 356 800 80 VAL H H 8.2907 0.00 1 357 800 80 VAL C C 175.8692 0.05 1 358 800 80 VAL CA C 62.1757 0.02 1 359 800 80 VAL CB C 32.6819 0.06 1 360 800 80 VAL N N 124.8794 0.03 1 361 801 81 SER H H 8.4307 0.00 1 362 801 81 SER C C 173.0212 0.00 1 363 801 81 SER CA C 56.0109 0.00 1 364 801 81 SER CB C 63.5284 0.00 1 365 801 81 SER N N 121.2310 0.03 1 366 802 82 PRO C C 176.5250 0.01 1 367 802 82 PRO CA C 63.3822 0.03 1 368 802 82 PRO CB C 31.8834 0.02 1 369 803 83 TRP H H 8.0460 0.00 1 370 803 83 TRP C C 176.2938 0.01 1 371 803 83 TRP CA C 57.3914 0.01 1 372 803 83 TRP CB C 29.2445 0.01 1 373 803 83 TRP N N 120.7324 0.03 1 374 804 84 LYS H H 7.9518 0.00 1 375 804 84 LYS C C 176.3153 0.00 1 376 804 84 LYS CA C 56.2089 0.02 1 377 804 84 LYS CB C 33.0741 0.03 1 378 804 84 LYS N N 124.3799 0.03 1 379 805 85 GLY H H 7.5120 0.00 1 380 805 85 GLY C C 173.7788 0.01 1 381 805 85 GLY CA C 45.1523 0.03 1 382 805 85 GLY N N 108.9885 0.04 1 383 806 86 SER H H 8.1869 0.00 1 384 806 86 SER C C 174.8877 0.00 1 385 806 86 SER CA C 58.3315 0.04 1 386 806 86 SER CB C 64.0241 0.03 1 387 806 86 SER N N 115.3273 0.06 1 388 807 87 THR H H 8.2841 0.00 1 389 807 87 THR C C 173.8791 0.00 1 390 807 87 THR CA C 61.6878 0.02 1 391 807 87 THR CB C 69.8844 0.00 1 392 807 87 THR N N 115.3972 0.04 1 stop_ save_