data_27831 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shiftsof human Mtr4 KOW ; _BMRB_accession_number 27831 _BMRB_flat_file_name bmr27831.str _Entry_type original _Submission_date 2019-03-07 _Accession_date 2019-03-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'NH, Ca and Cb chemical shifts of the human Mtr4 KOW domain (645-787)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schlundt Andreas . . 2 Sattler Michael . . 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" 277 "15N chemical shifts" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-01-16 update BMRB 'update entry citation' 2019-06-17 original author 'original release' stop_ _Original_release_date 2019-03-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The MTR4 helicase recruits nuclear adaptors of the human RNA exosome using distinct arch-interacting motifs ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31358741 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lingaraju Mahesh . . 2 Johnsen Dennis . . 3 Schlundt Andreas . . 4 Langer Lukas M. . 5 Basquin Jerome . . 6 Sattler Michael . . 7 'Heick Jensen' Torben . . 8 Falk Sebastian . . 9 Conti Elena . . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature communications' _Journal_volume 10 _Journal_issue 1 _Journal_ISSN 2041-1723 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3393 _Page_last 3393 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Mtr4-KOW _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Mtr4 KOW domain' $hMTR4-KOW 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_hMTR4-KOW _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hMTR4-KOW _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; GPDSMHKPKYCLPFLQPGRL VKVKNEGDDFGWGVVVNFSK KSNVKPNSGELDPLYVVEVL LRCSKESLKNSATEAAKPAK PDEKGEMQVVPVLVHLLSAI SSVRLYIPKDLRPVDNRQSV LKSIQEVQKRFPDGIPLLDP IDDMGIQD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 640 GLY 2 641 PRO 3 642 ASP 4 643 SER 5 644 MET 6 645 HIS 7 646 LYS 8 647 PRO 9 648 LYS 10 649 TYR 11 650 CYS 12 651 LEU 13 652 PRO 14 653 PHE 15 654 LEU 16 655 GLN 17 656 PRO 18 657 GLY 19 658 ARG 20 659 LEU 21 660 VAL 22 661 LYS 23 662 VAL 24 663 LYS 25 664 ASN 26 665 GLU 27 666 GLY 28 667 ASP 29 668 ASP 30 669 PHE 31 670 GLY 32 671 TRP 33 672 GLY 34 673 VAL 35 674 VAL 36 675 VAL 37 676 ASN 38 677 PHE 39 678 SER 40 679 LYS 41 680 LYS 42 681 SER 43 682 ASN 44 683 VAL 45 684 LYS 46 685 PRO 47 686 ASN 48 687 SER 49 688 GLY 50 689 GLU 51 690 LEU 52 691 ASP 53 692 PRO 54 693 LEU 55 694 TYR 56 695 VAL 57 696 VAL 58 697 GLU 59 698 VAL 60 699 LEU 61 700 LEU 62 701 ARG 63 702 CYS 64 703 SER 65 704 LYS 66 705 GLU 67 706 SER 68 707 LEU 69 708 LYS 70 709 ASN 71 710 SER 72 711 ALA 73 712 THR 74 713 GLU 75 714 ALA 76 715 ALA 77 716 LYS 78 717 PRO 79 718 ALA 80 719 LYS 81 720 PRO 82 721 ASP 83 722 GLU 84 723 LYS 85 724 GLY 86 725 GLU 87 726 MET 88 727 GLN 89 728 VAL 90 729 VAL 91 730 PRO 92 731 VAL 93 732 LEU 94 733 VAL 95 734 HIS 96 735 LEU 97 736 LEU 98 737 SER 99 738 ALA 100 739 ILE 101 740 SER 102 741 SER 103 742 VAL 104 743 ARG 105 744 LEU 106 745 TYR 107 746 ILE 108 747 PRO 109 748 LYS 110 749 ASP 111 750 LEU 112 751 ARG 113 752 PRO 114 753 VAL 115 754 ASP 116 755 ASN 117 756 ARG 118 757 GLN 119 758 SER 120 759 VAL 121 760 LEU 122 761 LYS 123 762 SER 124 763 ILE 125 764 GLN 126 765 GLU 127 766 VAL 128 767 GLN 129 768 LYS 130 769 ARG 131 770 PHE 132 771 PRO 133 772 ASP 134 773 GLY 135 774 ILE 136 775 PRO 137 776 LEU 138 777 LEU 139 778 ASP 140 779 PRO 141 780 ILE 142 781 ASP 143 782 ASP 144 783 MET 145 784 GLY 146 785 ILE 147 786 GLN 148 787 ASP 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 $hMTR4-KOW Human 9606 Eukaryota Metazoa Homo sapiens 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 $hMTR4-KOW 'recombinant technology' . Escherichia coli . pETM33 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 $hMTR4-KOW 0.6 mM 0.5 0.7 '[U-99% 13C; U-99% 15N]' 'sodium chloride' 137 mM . . 'natural abundance' 'potassium chloride' 2.7 mM . . 'natural abundance' Phosphate 10 mM . . 'natural abundance' 'sodium azide' 0.02 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CCPNMR_Analysis _Saveframe_category software _Name CCPNMR_Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'chemical shift calculation' 'data analysis' 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 900 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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' 0.15 . M 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 TMS C 13 'methyl carbon' ppm 0 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . . . 1 urea N 15 nitrogen ppm 0 external 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 HNCA' '3D HNCACB' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HNCO' '3D HCACO' '3D 1H-15N NOESY' 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 'Mtr4 KOW domain' _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 1 641 2 PRO CA C 63.492 0.000 1 2 641 2 PRO CB C 32.076 0.000 1 3 642 3 ASP H H 8.462 0.029 1 4 642 3 ASP CA C 54.427 0.000 1 5 642 3 ASP CB C 40.983 0.000 1 6 642 3 ASP N N 119.546 0.259 1 7 643 4 SER H H 8.077 0.016 1 8 643 4 SER CA C 58.982 0.000 1 9 643 4 SER CB C 63.609 0.000 1 10 643 4 SER N N 115.699 0.217 1 11 644 5 MET H H 8.143 0.023 1 12 644 5 MET CA C 55.787 0.000 1 13 644 5 MET CB C 32.309 0.000 1 14 644 5 MET N N 121.024 0.109 1 15 645 6 HIS H H 7.945 0.034 1 16 645 6 HIS CA C 56.133 0.000 1 17 645 6 HIS CB C 30.880 0.000 1 18 645 6 HIS N N 118.988 0.156 1 19 646 7 LYS H H 8.003 0.031 1 20 646 7 LYS CA C 54.661 0.000 1 21 646 7 LYS CB C 32.337 0.000 1 22 646 7 LYS N N 122.377 0.199 1 23 647 8 PRO CA C 62.073 0.000 1 24 647 8 PRO CB C 33.607 0.000 1 25 648 9 LYS H H 8.118 0.030 1 26 648 9 LYS CA C 54.077 0.000 1 27 648 9 LYS CB C 33.123 0.000 1 28 648 9 LYS N N 124.339 0.189 1 29 649 10 TYR H H 8.058 0.031 1 30 649 10 TYR CA C 52.853 0.000 1 31 649 10 TYR CB C 40.750 0.000 1 32 649 10 TYR N N 121.991 0.339 1 33 650 11 CYS H H 8.429 0.027 1 34 650 11 CYS CA C 60.564 0.000 1 35 650 11 CYS CB C 27.323 0.000 1 36 650 11 CYS N N 120.974 0.187 1 37 652 13 PRO CA C 66.217 0.000 1 38 652 13 PRO CB C 31.885 0.000 1 39 653 14 PHE H H 8.805 0.025 1 40 653 14 PHE CA C 57.204 0.000 1 41 653 14 PHE CB C 39.711 0.000 1 42 653 14 PHE N N 118.993 0.224 1 43 654 15 LEU H H 7.146 0.026 1 44 654 15 LEU CA C 55.161 0.000 1 45 654 15 LEU CB C 36.651 0.000 1 46 654 15 LEU N N 118.895 0.161 1 47 655 16 GLN H H 7.223 0.022 1 48 655 16 GLN CA C 60.869 0.000 1 49 655 16 GLN CB C 30.692 0.000 1 50 655 16 GLN N N 119.755 0.190 1 51 656 17 PRO CA C 63.625 0.000 1 52 656 17 PRO CB C 31.627 0.000 1 53 657 18 GLY H H 8.982 0.566 1 54 657 18 GLY CA C 45.298 0.000 1 55 657 18 GLY N N 108.726 2.095 1 56 658 19 ARG H H 8.340 0.023 1 57 658 19 ARG CA C 56.193 0.000 1 58 658 19 ARG CB C 29.279 0.000 1 59 658 19 ARG N N 122.264 0.228 1 60 659 20 LEU H H 7.825 0.026 1 61 659 20 LEU CA C 56.298 0.000 1 62 659 20 LEU CB C 42.653 0.000 1 63 659 20 LEU N N 130.344 0.192 1 64 660 21 VAL H H 8.851 0.029 1 65 660 21 VAL CA C 59.249 0.000 1 66 660 21 VAL CB C 36.293 0.000 1 67 660 21 VAL N N 116.524 0.177 1 68 661 22 LYS H H 8.064 0.027 1 69 661 22 LYS CA C 54.595 0.000 1 70 661 22 LYS CB C 34.831 0.000 1 71 661 22 LYS N N 122.300 0.251 1 72 662 23 VAL H H 7.606 0.033 1 73 662 23 VAL CA C 61.122 0.000 1 74 662 23 VAL CB C 34.592 0.000 1 75 662 23 VAL N N 121.836 0.145 1 76 663 24 LYS H H 8.414 0.032 1 77 663 24 LYS CA C 55.750 0.000 1 78 663 24 LYS CB C 34.861 0.000 1 79 663 24 LYS N N 127.319 0.177 1 80 664 25 ASN H H 8.627 0.017 1 81 664 25 ASN CA C 52.069 0.000 1 82 664 25 ASN CB C 40.290 0.000 1 83 664 25 ASN N N 122.076 0.147 1 84 665 26 GLU H H 8.846 0.025 1 85 665 26 GLU CA C 57.858 0.000 1 86 665 26 GLU CB C 27.471 0.000 1 87 665 26 GLU N N 123.242 0.185 1 88 666 27 GLY H H 8.391 0.035 1 89 666 27 GLY CA C 45.638 0.000 1 90 666 27 GLY N N 110.166 0.195 1 91 667 28 ASP H H 8.066 0.028 1 92 667 28 ASP CA C 53.895 0.000 1 93 667 28 ASP CB C 41.326 0.000 1 94 667 28 ASP N N 121.860 0.278 1 95 668 29 ASP H H 8.401 0.021 1 96 668 29 ASP CA C 53.306 0.000 1 97 668 29 ASP CB C 41.647 0.000 1 98 668 29 ASP N N 123.457 0.142 1 99 669 30 PHE H H 8.603 0.025 1 100 669 30 PHE CA C 59.330 0.000 1 101 669 30 PHE CB C 41.217 0.000 1 102 669 30 PHE N N 122.668 0.137 1 103 670 31 GLY H H 8.587 0.034 1 104 670 31 GLY CA C 45.391 0.000 1 105 670 31 GLY N N 110.690 0.188 1 106 671 32 TRP H H 8.061 0.023 1 107 671 32 TRP HE1 H 10.097 0.035 1 108 671 32 TRP CA C 58.040 0.000 1 109 671 32 TRP CB C 30.444 0.000 1 110 671 32 TRP N N 119.479 0.179 1 111 671 32 TRP NE1 N 128.732 0.238 1 112 672 33 GLY H H 9.723 0.031 1 113 672 33 GLY CA C 44.210 0.000 1 114 672 33 GLY N N 112.343 0.161 1 115 673 34 VAL H H 7.792 0.029 1 116 673 34 VAL CA C 59.083 0.000 1 117 673 34 VAL CB C 35.969 0.000 1 118 673 34 VAL N N 112.575 0.183 1 119 674 35 VAL H H 9.045 0.024 1 120 674 35 VAL CA C 64.856 0.000 1 121 674 35 VAL CB C 32.233 0.000 1 122 674 35 VAL N N 126.885 0.206 1 123 675 36 VAL H H 9.161 0.030 1 124 675 36 VAL CA C 63.111 0.000 1 125 675 36 VAL CB C 33.310 0.000 1 126 675 36 VAL N N 125.170 0.215 1 127 676 37 ASN H H 8.133 0.028 1 128 676 37 ASN CA C 54.095 0.000 1 129 676 37 ASN CB C 42.784 0.000 1 130 676 37 ASN N N 120.657 0.220 1 131 677 38 PHE H H 8.188 0.003 1 132 677 38 PHE CA C 55.101 0.000 1 133 677 38 PHE CB C 41.391 0.000 1 134 677 38 PHE N N 121.541 0.083 1 135 678 39 SER CA C 63.494 0.000 1 136 678 39 SER CB C 64.960 0.000 1 137 679 40 LYS H H 9.224 0.030 1 138 679 40 LYS CA C 58.686 0.000 1 139 679 40 LYS CB C 35.570 0.000 1 140 679 40 LYS N N 131.084 0.184 1 141 680 41 LYS CA C 57.302 0.000 1 142 681 42 SER H H 8.666 0.026 1 143 681 42 SER CA C 57.545 0.000 1 144 681 42 SER CB C 65.045 0.000 1 145 681 42 SER N N 118.960 0.199 1 146 682 43 ASN CA C 52.995 0.000 1 147 682 43 ASN CB C 38.947 0.000 1 148 683 44 VAL H H 7.921 0.025 1 149 683 44 VAL CA C 62.034 0.000 1 150 683 44 VAL CB C 32.840 0.000 1 151 683 44 VAL N N 119.576 0.161 1 152 684 45 LYS H H 8.312 0.015 1 153 684 45 LYS CA C 54.067 0.000 1 154 684 45 LYS CB C 32.549 0.000 1 155 684 45 LYS N N 125.898 0.231 1 156 685 46 PRO CA C 64.984 0.000 1 157 685 46 PRO CB C 32.385 0.000 1 158 686 47 ASN H H 8.124 0.032 1 159 686 47 ASN CA C 53.409 0.000 1 160 686 47 ASN CB C 40.035 0.000 1 161 686 47 ASN N N 113.869 0.233 1 162 687 48 SER CA C 58.764 0.000 1 163 687 48 SER CB C 63.686 0.000 1 164 688 49 GLY H H 8.812 0.559 1 165 688 49 GLY CA C 45.414 0.000 1 166 688 49 GLY N N 108.685 1.866 1 167 689 50 GLU H H 8.093 0.027 1 168 689 50 GLU CA C 56.300 0.000 1 169 689 50 GLU CB C 30.272 0.000 1 170 689 50 GLU N N 120.259 0.172 1 171 690 51 LEU H H 8.150 0.008 1 172 690 51 LEU CA C 55.026 0.000 1 173 690 51 LEU CB C 42.672 0.000 1 174 690 51 LEU N N 122.485 0.037 1 175 691 52 ASP H H 8.107 0.005 1 176 691 52 ASP CA C 52.528 0.000 1 177 691 52 ASP CB C 41.103 0.000 1 178 691 52 ASP N N 121.818 0.061 1 179 692 53 PRO CA C 62.842 0.000 1 180 692 53 PRO CB C 32.479 0.000 1 181 693 54 LEU H H 8.113 0.028 1 182 693 54 LEU CA C 53.925 0.000 1 183 693 54 LEU CB C 42.622 0.000 1 184 693 54 LEU N N 120.809 0.170 1 185 694 55 TYR H H 8.198 0.030 1 186 694 55 TYR CA C 57.637 0.000 1 187 694 55 TYR CB C 40.209 0.000 1 188 694 55 TYR N N 120.916 0.206 1 189 695 56 VAL H H 8.700 0.023 1 190 695 56 VAL CA C 60.813 0.000 1 191 695 56 VAL CB C 34.839 0.000 1 192 695 56 VAL N N 122.251 0.156 1 193 696 57 VAL H H 9.423 0.031 1 194 696 57 VAL CA C 59.040 0.000 1 195 696 57 VAL CB C 34.655 0.000 1 196 696 57 VAL N N 126.476 0.217 1 197 697 58 GLU H H 8.587 0.026 1 198 697 58 GLU CA C 56.398 0.000 1 199 697 58 GLU CB C 30.349 0.000 1 200 697 58 GLU N N 127.186 0.154 1 201 698 59 VAL H H 8.719 0.028 1 202 698 59 VAL CA C 59.878 0.000 1 203 698 59 VAL CB C 35.189 0.000 1 204 698 59 VAL N N 125.133 0.223 1 205 699 60 LEU H H 9.264 0.020 1 206 699 60 LEU CA C 54.161 0.000 1 207 699 60 LEU CB C 43.089 0.000 1 208 699 60 LEU N N 128.315 0.171 1 209 700 61 LEU H H 8.629 0.030 1 210 700 61 LEU CA C 52.836 0.000 1 211 700 61 LEU CB C 46.940 0.000 1 212 700 61 LEU N N 126.116 0.250 1 213 701 62 ARG H H 9.393 0.026 1 214 701 62 ARG CA C 57.381 0.000 1 215 701 62 ARG CB C 30.783 0.000 1 216 701 62 ARG N N 124.365 0.212 1 217 702 63 CYS H H 8.544 0.030 1 218 702 63 CYS CA C 58.488 0.000 1 219 702 63 CYS CB C 30.877 0.000 1 220 702 63 CYS N N 126.267 0.242 1 221 703 64 SER H H 8.423 0.020 1 222 703 64 SER CA C 57.424 0.000 1 223 703 64 SER CB C 63.745 0.000 1 224 703 64 SER N N 115.034 0.096 1 225 704 65 LYS H H 9.211 0.020 1 226 704 65 LYS CA C 57.812 0.000 1 227 704 65 LYS CB C 32.421 0.000 1 228 704 65 LYS N N 127.549 0.162 1 229 705 66 GLU H H 8.526 0.024 1 230 705 66 GLU CA C 57.793 0.000 1 231 705 66 GLU CB C 29.746 0.000 1 232 705 66 GLU N N 120.487 0.208 1 233 706 67 SER H H 7.968 0.028 1 234 706 67 SER CA C 59.361 0.000 1 235 706 67 SER CB C 63.577 0.000 1 236 706 67 SER N N 115.658 0.168 1 237 707 68 LEU H H 7.819 0.029 1 238 707 68 LEU CA C 55.509 0.000 1 239 707 68 LEU CB C 41.749 0.000 1 240 707 68 LEU N N 122.695 0.134 1 241 708 69 LYS H H 7.890 0.018 1 242 708 69 LYS CA C 56.950 0.000 1 243 708 69 LYS CB C 32.819 0.000 1 244 708 69 LYS N N 120.239 0.170 1 245 710 71 SER CA C 61.192 0.000 1 246 710 71 SER CB C 63.938 0.000 1 247 711 72 ALA H H 8.335 0.019 1 248 711 72 ALA CA C 53.201 0.000 1 249 711 72 ALA CB C 19.131 0.000 1 250 711 72 ALA N N 124.681 0.099 1 251 712 73 THR H H 7.891 0.033 1 252 712 73 THR CA C 62.083 0.000 1 253 712 73 THR CB C 69.589 0.000 1 254 712 73 THR N N 109.995 0.199 1 255 713 74 GLU H H 8.087 0.025 1 256 713 74 GLU CA C 56.417 0.000 1 257 713 74 GLU CB C 30.579 0.000 1 258 713 74 GLU N N 121.974 0.182 1 259 714 75 ALA H H 8.089 0.028 1 260 714 75 ALA CA C 51.892 0.000 1 261 714 75 ALA CB C 19.521 0.000 1 262 714 75 ALA N N 124.461 0.182 1 263 715 76 ALA H H 8.048 0.023 1 264 715 76 ALA CA C 52.640 0.000 1 265 715 76 ALA CB C 19.743 0.000 1 266 715 76 ALA N N 122.989 0.181 1 267 716 77 LYS H H 8.430 0.011 1 268 716 77 LYS CA C 55.930 0.000 1 269 716 77 LYS CB C 33.507 0.000 1 270 716 77 LYS N N 123.534 0.014 1 271 717 78 PRO CA C 62.267 0.000 1 272 717 78 PRO CB C 32.134 0.000 1 273 718 79 ALA H H 7.720 0.023 1 274 718 79 ALA CA C 51.982 0.000 1 275 718 79 ALA CB C 18.582 0.000 1 276 718 79 ALA N N 123.184 0.162 1 277 719 80 LYS H H 8.344 0.147 1 278 719 80 LYS CA C 54.283 0.000 1 279 719 80 LYS CB C 32.854 0.000 1 280 719 80 LYS N N 123.580 0.542 1 281 721 82 ASP CA C 53.586 0.000 1 282 721 82 ASP CB C 38.192 0.000 1 283 722 83 GLU H H 7.077 0.026 1 284 722 83 GLU CA C 52.999 0.000 1 285 722 83 GLU CB C 29.827 0.000 1 286 722 83 GLU N N 120.885 0.190 1 287 723 84 LYS H H 8.255 0.031 1 288 723 84 LYS CA C 55.773 0.014 1 289 723 84 LYS CB C 32.282 0.144 1 290 723 84 LYS N N 120.374 0.125 1 291 724 85 GLY H H 8.342 0.030 1 292 724 85 GLY CA C 45.473 0.000 1 293 724 85 GLY N N 108.917 0.249 1 294 725 86 GLU H H 7.983 0.036 1 295 725 86 GLU CA C 54.916 0.000 1 296 725 86 GLU CB C 31.945 0.000 1 297 725 86 GLU N N 119.809 0.229 1 298 726 87 MET H H 8.827 0.031 1 299 726 87 MET CA C 53.829 0.000 1 300 726 87 MET CB C 32.641 0.000 1 301 726 87 MET N N 123.972 0.135 1 302 727 88 GLN H H 9.122 0.031 1 303 727 88 GLN CA C 53.971 0.000 1 304 727 88 GLN CB C 32.719 0.000 1 305 727 88 GLN N N 123.649 0.229 1 306 728 89 VAL H H 8.888 0.031 1 307 728 89 VAL CA C 63.504 0.000 1 308 728 89 VAL CB C 31.097 0.000 1 309 728 89 VAL N N 123.920 0.174 1 310 729 90 VAL H H 8.819 0.030 1 311 729 90 VAL CA C 66.139 0.000 1 312 729 90 VAL CB C 31.886 0.000 1 313 729 90 VAL N N 127.341 0.257 1 314 730 91 PRO CA C 61.529 0.000 1 315 730 91 PRO CB C 31.028 0.000 1 316 731 92 VAL H H 9.173 0.026 1 317 731 92 VAL CA C 59.826 0.000 1 318 731 92 VAL CB C 35.280 0.000 1 319 731 92 VAL N N 124.359 0.171 1 320 732 93 LEU H H 7.859 0.034 1 321 732 93 LEU CA C 55.314 0.000 1 322 732 93 LEU CB C 42.174 0.000 1 323 732 93 LEU N N 125.400 0.210 1 324 733 94 VAL H H 8.186 0.016 1 325 733 94 VAL CA C 65.841 0.000 1 326 733 94 VAL CB C 32.056 0.000 1 327 733 94 VAL N N 119.374 0.208 1 328 734 95 HIS H H 7.890 0.018 1 329 734 95 HIS CA C 57.971 0.000 1 330 734 95 HIS CB C 29.583 0.000 1 331 734 95 HIS N N 115.120 0.104 1 332 735 96 LEU H H 7.636 0.028 1 333 735 96 LEU CA C 54.897 0.000 1 334 735 96 LEU CB C 40.311 0.000 1 335 735 96 LEU N N 120.316 0.136 1 336 736 97 LEU H H 7.263 0.029 1 337 736 97 LEU CA C 54.916 0.000 1 338 736 97 LEU CB C 40.330 0.000 1 339 736 97 LEU N N 118.428 0.178 1 340 737 98 SER H H 8.623 0.023 1 341 737 98 SER CA C 58.347 0.000 1 342 737 98 SER CB C 64.244 0.000 1 343 737 98 SER N N 120.225 0.198 1 344 738 99 ALA H H 7.277 0.025 1 345 738 99 ALA CA C 52.183 0.000 1 346 738 99 ALA CB C 22.252 0.000 1 347 738 99 ALA N N 120.225 0.237 1 348 739 100 ILE H H 8.934 0.031 1 349 739 100 ILE CA C 60.727 0.000 1 350 739 100 ILE CB C 40.328 0.000 1 351 739 100 ILE N N 120.337 0.216 1 352 740 101 SER H H 8.465 0.023 1 353 740 101 SER CA C 56.474 0.000 1 354 740 101 SER CB C 65.242 0.000 1 355 740 101 SER N N 118.746 0.198 1 356 741 102 SER H H 7.421 0.030 1 357 741 102 SER CA C 58.807 0.000 1 358 741 102 SER CB C 62.985 0.000 1 359 741 102 SER N N 116.543 0.232 1 360 742 103 VAL H H 8.643 0.024 1 361 742 103 VAL CA C 63.252 0.000 1 362 742 103 VAL CB C 32.002 0.000 1 363 742 103 VAL N N 124.783 0.243 1 364 743 104 ARG H H 8.081 0.032 1 365 743 104 ARG CA C 54.240 0.000 1 366 743 104 ARG CB C 33.134 0.000 1 367 743 104 ARG N N 125.401 0.199 1 368 744 105 LEU H H 8.557 0.025 1 369 744 105 LEU CA C 53.083 0.000 1 370 744 105 LEU CB C 44.095 0.000 1 371 744 105 LEU N N 125.156 0.236 1 372 745 106 TYR H H 8.183 0.026 1 373 745 106 TYR CA C 58.220 0.000 1 374 745 106 TYR CB C 38.121 0.000 1 375 745 106 TYR N N 120.423 0.235 1 376 746 107 ILE H H 7.344 0.033 1 377 746 107 ILE CA C 57.106 0.000 1 378 746 107 ILE CB C 39.534 0.000 1 379 746 107 ILE N N 120.230 0.194 1 380 747 108 PRO CA C 62.117 0.000 1 381 747 108 PRO CB C 31.901 0.000 1 382 748 109 LYS H H 7.963 0.037 1 383 748 109 LYS CA C 57.689 0.000 1 384 748 109 LYS CB C 32.552 0.000 1 385 748 109 LYS N N 119.077 0.186 1 386 749 110 ASP H H 7.742 0.023 1 387 749 110 ASP CA C 52.188 0.000 1 388 749 110 ASP CB C 41.265 0.000 1 389 749 110 ASP N N 116.692 0.174 1 390 750 111 LEU H H 8.753 0.026 1 391 750 111 LEU CA C 52.806 0.000 1 392 750 111 LEU CB C 41.358 0.000 1 393 750 111 LEU N N 124.518 0.155 1 394 751 112 ARG H H 8.253 0.009 1 395 751 112 ARG CA C 52.493 0.000 1 396 751 112 ARG CB C 33.882 0.000 1 397 751 112 ARG N N 119.753 0.020 1 398 752 113 PRO CA C 64.723 0.000 1 399 752 113 PRO CB C 31.739 0.000 1 400 753 114 VAL H H 8.223 0.028 1 401 753 114 VAL CA C 58.025 0.000 1 402 753 114 VAL CB C 32.200 0.000 1 403 753 114 VAL N N 117.013 0.167 1 404 754 115 ASP H H 7.679 0.025 1 405 754 115 ASP CA C 58.123 0.000 1 406 754 115 ASP CB C 38.372 0.000 1 407 754 115 ASP N N 117.391 0.160 1 408 756 117 ARG CA C 60.862 0.000 1 409 756 117 ARG CB C 28.307 0.000 1 410 757 118 GLN H H 8.783 0.027 1 411 757 118 GLN CA C 58.138 0.000 1 412 757 118 GLN CB C 28.488 0.000 1 413 757 118 GLN N N 117.585 0.202 1 414 758 119 SER H H 7.937 0.028 1 415 758 119 SER CA C 61.747 0.000 1 416 758 119 SER CB C 62.581 0.000 1 417 758 119 SER N N 116.250 0.165 1 418 759 120 VAL H H 7.271 0.019 1 419 759 120 VAL CA C 65.483 0.000 1 420 759 120 VAL CB C 30.986 0.000 1 421 759 120 VAL N N 122.312 0.166 1 422 760 121 LEU H H 7.281 0.029 1 423 760 121 LEU CA C 58.650 0.000 1 424 760 121 LEU CB C 40.232 0.000 1 425 760 121 LEU N N 120.910 0.133 1 426 761 122 LYS H H 7.564 0.032 1 427 761 122 LYS CA C 59.340 0.000 1 428 761 122 LYS CB C 31.743 0.000 1 429 761 122 LYS N N 117.897 0.235 1 430 762 123 SER H H 7.742 0.025 1 431 762 123 SER CA C 62.182 0.000 1 432 762 123 SER CB C 62.974 0.000 1 433 762 123 SER N N 115.879 0.228 1 434 763 124 ILE H H 8.320 0.021 1 435 763 124 ILE CA C 66.370 0.000 1 436 763 124 ILE CB C 38.307 0.000 1 437 763 124 ILE N N 123.545 0.163 1 438 764 125 GLN H H 8.267 0.026 1 439 764 125 GLN CA C 59.006 0.000 1 440 764 125 GLN CB C 27.628 0.000 1 441 764 125 GLN N N 118.714 0.214 1 442 765 126 GLU H H 8.107 0.026 1 443 765 126 GLU CA C 59.370 0.000 1 444 765 126 GLU CB C 29.555 0.000 1 445 765 126 GLU N N 119.603 0.178 1 446 766 127 VAL H H 7.749 0.034 1 447 766 127 VAL CA C 66.628 0.000 1 448 766 127 VAL CB C 31.195 0.000 1 449 766 127 VAL N N 121.151 0.242 1 450 767 128 GLN H H 8.048 0.034 1 451 767 128 GLN CA C 59.493 0.000 1 452 767 128 GLN CB C 28.909 0.000 1 453 767 128 GLN N N 117.743 0.149 1 454 768 129 LYS H H 7.538 0.030 1 455 768 129 LYS CA C 58.361 0.000 1 456 768 129 LYS CB C 32.541 0.000 1 457 768 129 LYS N N 117.167 0.163 1 458 769 130 ARG H H 7.372 0.025 1 459 769 130 ARG CA C 57.289 0.000 1 460 769 130 ARG CB C 30.540 0.000 1 461 769 130 ARG N N 117.931 0.218 1 462 770 131 PHE H H 7.152 0.026 1 463 770 131 PHE CA C 55.332 0.000 1 464 770 131 PHE CB C 39.145 0.000 1 465 770 131 PHE N N 116.658 0.141 1 466 771 132 PRO CA C 64.862 0.000 1 467 771 132 PRO CB C 31.700 0.000 1 468 772 133 ASP H H 8.558 0.020 1 469 772 133 ASP CA C 54.297 0.000 1 470 772 133 ASP CB C 40.657 0.000 1 471 772 133 ASP N N 116.556 0.226 1 472 773 134 GLY H H 7.603 0.022 1 473 773 134 GLY CA C 44.382 0.000 1 474 773 134 GLY N N 109.766 0.180 1 475 774 135 ILE H H 8.150 0.019 1 476 774 135 ILE CA C 59.775 0.000 1 477 774 135 ILE CB C 37.585 0.000 1 478 774 135 ILE N N 128.785 0.198 1 479 775 136 PRO CA C 62.841 0.000 1 480 775 136 PRO CB C 31.840 0.000 1 481 776 137 LEU H H 8.518 0.023 1 482 776 137 LEU CA C 54.009 0.000 1 483 776 137 LEU CB C 43.347 0.000 1 484 776 137 LEU N N 122.850 0.184 1 485 777 138 LEU H H 8.160 0.020 1 486 777 138 LEU CA C 54.706 0.000 1 487 777 138 LEU CB C 42.829 0.000 1 488 777 138 LEU N N 122.516 0.147 1 489 778 139 ASP H H 8.867 0.033 1 490 778 139 ASP CA C 51.733 0.000 1 491 778 139 ASP CB C 42.192 0.000 1 492 778 139 ASP N N 125.102 0.129 1 493 779 140 PRO CA C 63.760 0.000 1 494 779 140 PRO CB C 32.171 0.000 1 495 780 141 ILE H H 7.817 0.023 1 496 780 141 ILE CA C 61.700 0.000 1 497 780 141 ILE CB C 38.357 0.000 1 498 780 141 ILE N N 118.221 0.202 1 499 781 142 ASP H H 8.173 0.022 1 500 781 142 ASP CA C 55.165 0.000 1 501 781 142 ASP CB C 41.298 0.000 1 502 781 142 ASP N N 121.774 0.169 1 503 782 143 ASP H H 8.046 0.025 1 504 782 143 ASP CA C 54.850 0.000 1 505 782 143 ASP CB C 41.637 0.000 1 506 782 143 ASP N N 118.440 0.211 1 507 783 144 MET H H 7.924 0.026 1 508 783 144 MET CA C 56.097 0.000 1 509 783 144 MET CB C 32.817 0.000 1 510 783 144 MET N N 118.294 0.200 1 511 784 145 GLY H H 8.070 0.024 1 512 784 145 GLY CA C 45.737 0.000 1 513 784 145 GLY N N 108.611 0.178 1 514 785 146 ILE H H 7.873 0.023 1 515 785 146 ILE CA C 61.440 0.000 1 516 785 146 ILE CB C 38.404 0.000 1 517 785 146 ILE N N 119.691 0.218 1 518 786 147 GLN H H 8.210 0.021 1 519 786 147 GLN CA C 55.337 0.000 1 520 786 147 GLN CB C 30.019 0.000 1 521 786 147 GLN N N 124.881 0.183 1 522 787 148 ASP H H 7.905 0.016 1 523 787 148 ASP CA C 55.776 0.000 1 524 787 148 ASP CB C 42.192 0.000 1 525 787 148 ASP N N 127.690 0.233 1 stop_ save_