data_26948 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shift assignment of RNA recognition domain 2 of SART3 ; _BMRB_accession_number 26948 _BMRB_flat_file_name bmr26948.str _Entry_type original _Submission_date 2016-11-21 _Accession_date 2016-11-21 _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 Kim Nak-Kyoon . . 2 Kim Won-Je . . 3 Bang Kyeong-Mi . . 4 Shin JiYeon . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 153 "13C chemical shifts" 151 "15N chemical shifts" 74 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-03-26 original BMRB . stop_ _Original_release_date 2016-11-21 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Characterization of RNA Recognition Motif-2 Domain of SART3 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bang Kyeong-Mi . . 2 Cho 'Na Youn' . . 3 Kim Won-Je . . 4 Kim Ae-Ryung . . 5 Song 'Hyun Kyu' . . 6 Kim Eunice E. . 7 Kim Nak-Kyoon . . stop_ _Journal_abbreviation 'Bull. Korean. Chem. Soc.' _Journal_name_full 'Bulletin of the Korean Chemical Society' _Journal_volume 38 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 444 _Page_last 447 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'SART3 RRM2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SART3 RRM2' $SART3_RRM2 stop_ _System_molecular_weight 8682 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'One of the U6 snRNA binding domains of human SART3.' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SART3_RRM2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SART3_RRM2 _Molecular_mass 8682 _Mol_thiol_state 'all free' loop_ _Biological_function 'One of the U6 snRNA binding domains of human SART3.' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 78 _Mol_residue_sequence ; KHKLFISGLPFSCTKEELEE ICKAHGTVKDLRLVTNRAGK PKGLAYVEYENESQASQAVM KMDGMTIKENIIKVAISN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 800 LYS 2 801 HIS 3 802 LYS 4 803 LEU 5 804 PHE 6 805 ILE 7 806 SER 8 807 GLY 9 808 LEU 10 809 PRO 11 810 PHE 12 811 SER 13 812 CYS 14 813 THR 15 814 LYS 16 815 GLU 17 816 GLU 18 817 LEU 19 818 GLU 20 819 GLU 21 820 ILE 22 821 CYS 23 822 LYS 24 823 ALA 25 824 HIS 26 825 GLY 27 826 THR 28 827 VAL 29 828 LYS 30 829 ASP 31 830 LEU 32 831 ARG 33 832 LEU 34 833 VAL 35 834 THR 36 835 ASN 37 836 ARG 38 837 ALA 39 838 GLY 40 839 LYS 41 840 PRO 42 841 LYS 43 842 GLY 44 843 LEU 45 844 ALA 46 845 TYR 47 846 VAL 48 847 GLU 49 848 TYR 50 849 GLU 51 850 ASN 52 851 GLU 53 852 SER 54 853 GLN 55 854 ALA 56 855 SER 57 856 GLN 58 857 ALA 59 858 VAL 60 859 MET 61 860 LYS 62 861 MET 63 862 ASP 64 863 GLY 65 864 MET 66 865 THR 67 866 ILE 68 867 LYS 69 868 GLU 70 869 ASN 71 870 ILE 72 871 ILE 73 872 LYS 74 873 VAL 75 874 ALA 76 875 ILE 77 876 SER 78 877 ASN 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 $SART3_RRM2 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 $SART3_RRM2 'recombinant technology' . Escherichia coli . pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20mM sodium phosphate pH 6.5, 100mM NaCl, 0.5mM DTT and 10% (v/v) D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SART3_RRM2 1.2 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' DTT 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.114 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . Goddard . . stop_ loop_ _Task 'chemical shift assignment' collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'with cryoprobe' 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_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '20mM sodium phosphate pH 6.5, 100mM NaCl, 0.5mM DTT and 10% (v/v) D2O' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.5 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'referenced with DSS' 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 0.0 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 internal 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 $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HBHA(CO)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 'SART3 RRM2' _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 1 800 1 LYS HA H 5.72 0.02 1 2 800 1 LYS C C 170.9 0.35 1 3 800 1 LYS CA C 52.65 0.35 1 4 801 2 HIS H H 8.168 0.02 1 5 801 2 HIS HA H 5.238 0.02 1 6 801 2 HIS C C 171 0.35 1 7 801 2 HIS CA C 53.39 0.35 1 8 801 2 HIS N N 117.9 0.2 1 9 802 3 LYS H H 8.099 0.02 1 10 802 3 LYS HA H 6.25 0.02 1 11 802 3 LYS C C 172.1 0.35 1 12 802 3 LYS CA C 52.28 0.35 1 13 802 3 LYS N N 121.1 0.2 1 14 803 4 LEU H H 9.534 0.02 1 15 803 4 LEU HA H 6.012 0.02 1 16 803 4 LEU C C 172.9 0.35 1 17 803 4 LEU CA C 50.82 0.35 1 18 803 4 LEU N N 122.9 0.2 1 19 804 5 PHE H H 9.196 0.02 1 20 804 5 PHE HA H 6.127 0.02 1 21 804 5 PHE C C 171.4 0.35 1 22 804 5 PHE CA C 52.65 0.35 1 23 804 5 PHE N N 121.6 0.2 1 24 805 6 ILE H H 8.799 0.02 1 25 805 6 ILE HA H 5.684 0.02 1 26 805 6 ILE C C 170.5 0.35 1 27 805 6 ILE CA C 57.03 0.35 1 28 805 6 ILE N N 128.8 0.2 1 29 806 7 SER H H 8.985 0.02 1 30 806 7 SER HA H 6.039 0.02 1 31 806 7 SER C C 170.8 0.35 1 32 806 7 SER CA C 53.3 0.35 1 33 806 7 SER N N 118.5 0.2 1 34 807 8 GLY H H 7.863 0.02 1 35 807 8 GLY HA2 H 4.605 0.02 1 36 807 8 GLY HA3 H 5.233 0.02 1 37 807 8 GLY C C 172.7 0.35 1 38 807 8 GLY CA C 42.59 0.35 1 39 807 8 GLY N N 108 0.2 1 40 808 9 LEU H H 8.179 0.02 1 41 808 9 LEU CA C 50.61 0.35 1 42 808 9 LEU N N 119.2 0.2 1 43 809 10 PRO HA H 5.288 0.02 1 44 809 10 PRO C C 176 0.35 1 45 809 10 PRO CA C 59.51 0.35 1 46 810 11 PHE H H 8.689 0.02 1 47 810 11 PHE HA H 5.209 0.02 1 48 810 11 PHE C C 173.6 0.35 1 49 810 11 PHE CA C 56.08 0.35 1 50 810 11 PHE N N 124.5 0.2 1 51 811 12 SER H H 7.674 0.02 1 52 811 12 SER HA H 5.135 0.02 1 53 811 12 SER C C 172 0.35 1 54 811 12 SER CA C 55.05 0.35 1 55 811 12 SER N N 109.8 0.2 1 56 812 13 CYS H H 7.268 0.02 1 57 812 13 CYS HA H 5.473 0.02 1 58 812 13 CYS C C 171.5 0.35 1 59 812 13 CYS CA C 57.07 0.35 1 60 812 13 CYS N N 122.9 0.2 1 61 813 14 THR H H 8.562 0.02 1 62 813 14 THR HA H 5.448 0.02 1 63 813 14 THR C C 172.5 0.35 1 64 813 14 THR CA C 57.69 0.35 1 65 813 14 THR N N 120.8 0.2 1 66 814 15 LYS H H 9.067 0.02 1 67 814 15 LYS HA H 4.58 0.02 1 68 814 15 LYS C C 174.9 0.35 1 69 814 15 LYS CA C 57.63 0.35 1 70 814 15 LYS N N 121.9 0.2 1 71 815 16 GLU H H 8.827 0.02 1 72 815 16 GLU HA H 4.924 0.02 1 73 815 16 GLU C C 176.9 0.35 1 74 815 16 GLU CA C 58.04 0.35 1 75 815 16 GLU N N 117.8 0.2 1 76 816 17 GLU H H 7.728 0.02 1 77 816 17 GLU HA H 4.895 0.02 1 78 816 17 GLU C C 176.9 0.35 1 79 816 17 GLU CA C 56.09 0.35 1 80 816 17 GLU N N 120.4 0.2 1 81 817 18 LEU H H 7.847 0.02 1 82 817 18 LEU HA H 4.99 0.02 1 83 817 18 LEU C C 175.9 0.35 1 84 817 18 LEU CA C 54.03 0.35 1 85 817 18 LEU N N 119.9 0.2 1 86 818 19 GLU H H 8.937 0.02 1 87 818 19 GLU HA H 4.368 0.02 1 88 818 19 GLU C C 174.9 0.35 1 89 818 19 GLU CA C 58.26 0.35 1 90 818 19 GLU N N 121.9 0.2 1 91 819 20 GLU H H 7.551 0.02 1 92 819 20 GLU HA H 4.76 0.02 1 93 819 20 GLU C C 176 0.35 1 94 819 20 GLU CA C 56.63 0.35 1 95 819 20 GLU N N 116.7 0.2 1 96 820 21 ILE H H 7.095 0.02 1 97 820 21 ILE HA H 4.641 0.02 1 98 820 21 ILE C C 176 0.35 1 99 820 21 ILE CA C 62.08 0.35 1 100 820 21 ILE N N 118.7 0.2 1 101 821 22 CYS H H 8.268 0.02 1 102 821 22 CYS HA H 5.124 0.02 1 103 821 22 CYS C C 176.4 0.35 1 104 821 22 CYS CA C 61.26 0.35 1 105 821 22 CYS N N 115.4 0.2 1 106 822 23 LYS H H 8.556 0.02 1 107 822 23 LYS HA H 5.532 0.02 1 108 822 23 LYS C C 173.5 0.35 1 109 822 23 LYS CA C 55.54 0.35 1 110 822 23 LYS N N 121.4 0.2 1 111 823 24 ALA H H 6.81 0.02 1 112 823 24 ALA HA H 4.871 0.02 1 113 823 24 ALA C C 175.7 0.35 1 114 823 24 ALA CA C 51.13 0.35 1 115 823 24 ALA N N 120.2 0.2 1 116 824 25 HIS H H 6.81 0.02 1 117 824 25 HIS HA H 5.622 0.02 1 118 824 25 HIS C C 171.4 0.35 1 119 824 25 HIS CA C 52.28 0.35 1 120 824 25 HIS N N 112.5 0.2 1 121 825 26 GLY H H 7.188 0.02 1 122 825 26 GLY HA2 H 4.79 0.02 1 123 825 26 GLY HA3 H 5.008 0.02 1 124 825 26 GLY C C 168.2 0.35 1 125 825 26 GLY CA C 41.84 0.35 1 126 825 26 GLY N N 103.9 0.2 1 127 826 27 THR H H 7.853 0.02 1 128 826 27 THR HA H 5.184 0.02 1 129 826 27 THR C C 170.3 0.35 1 130 826 27 THR CA C 59.66 0.35 1 131 826 27 THR N N 115.7 0.2 1 132 827 28 VAL H H 8.651 0.02 1 133 827 28 VAL HA H 4.358 0.02 1 134 827 28 VAL C C 173.2 0.35 1 135 827 28 VAL CA C 59.77 0.35 1 136 827 28 VAL N N 129.1 0.2 1 137 828 29 LYS H H 8.91 0.02 1 138 828 29 LYS HA H 5.1 0.02 1 139 828 29 LYS C C 173.5 0.35 1 140 828 29 LYS CA C 53.36 0.35 1 141 828 29 LYS N N 129.6 0.2 1 142 829 30 ASP H H 7.395 0.02 1 143 829 30 ASP HA H 5.539 0.02 1 144 829 30 ASP C C 170.2 0.35 1 145 829 30 ASP CA C 51.52 0.35 1 146 829 30 ASP N N 115.8 0.2 1 147 830 31 LEU H H 7.926 0.02 1 148 830 31 LEU HA H 5.903 0.02 1 149 830 31 LEU C C 171.7 0.35 1 150 830 31 LEU CA C 52.96 0.35 1 151 830 31 LEU N N 126.3 0.2 1 152 831 32 ARG H H 8.832 0.02 1 153 831 32 ARG HA H 5.607 0.02 1 154 831 32 ARG CA C 51.79 0.35 1 155 831 32 ARG N N 124 0.2 1 156 832 33 LEU H H 8.765 0.02 1 157 832 33 LEU HA H 5.579 0.02 1 158 832 33 LEU C C 174 0.35 1 159 832 33 LEU CA C 51.84 0.35 1 160 832 33 LEU N N 124.7 0.2 1 161 833 34 VAL H H 8.056 0.02 1 162 833 34 VAL HA H 5.052 0.02 1 163 833 34 VAL C C 173.1 0.35 1 164 833 34 VAL CA C 60.29 0.35 1 165 833 34 VAL N N 124.7 0.2 1 166 834 35 THR H H 8.383 0.02 1 167 834 35 THR HA H 5.867 0.02 1 168 834 35 THR C C 172.1 0.35 1 169 834 35 THR CA C 56.9 0.35 1 170 834 35 THR N N 118.4 0.2 1 171 835 36 ASN H H 8.579 0.02 1 172 835 36 ASN CA C 48.54 0.35 1 173 835 36 ASN N N 118.8 0.2 1 174 836 37 ARG HA H 5.01 0.02 1 175 836 37 ARG C C 174 0.35 1 176 836 37 ARG CA C 55.98 0.35 1 177 837 38 ALA H H 7.518 0.02 1 178 837 38 ALA HA H 5.315 0.02 1 179 837 38 ALA C C 174.9 0.35 1 180 837 38 ALA CA C 49.19 0.35 1 181 837 38 ALA N N 120.9 0.2 1 182 838 39 GLY H H 8.073 0.02 1 183 838 39 GLY HA2 H 4.57 0.02 1 184 838 39 GLY HA3 H 5.131 0.02 1 185 838 39 GLY C C 171.3 0.35 1 186 838 39 GLY CA C 42.34 0.35 1 187 838 39 GLY N N 107.2 0.2 1 188 839 40 LYS H H 7.914 0.02 1 189 839 40 LYS CA C 50.48 0.35 1 190 839 40 LYS N N 121.7 0.2 1 191 840 41 PRO HA H 5.276 0.02 1 192 840 41 PRO C C 173.8 0.35 1 193 840 41 PRO CA C 60.93 0.35 1 194 841 42 LYS H H 8.137 0.02 1 195 841 42 LYS HA H 5.31 0.02 1 196 841 42 LYS C C 174.2 0.35 1 197 841 42 LYS CA C 53.06 0.35 1 198 841 42 LYS N N 117.2 0.2 1 199 842 43 GLY H H 8.546 0.02 1 200 842 43 GLY HA2 H 4.722 0.02 1 201 842 43 GLY HA3 H 5.124 0.02 1 202 842 43 GLY C C 169.4 0.35 1 203 842 43 GLY CA C 43.74 0.35 1 204 842 43 GLY N N 110.2 0.2 1 205 843 44 LEU H H 6.812 0.02 1 206 843 44 LEU HA H 6.391 0.02 1 207 843 44 LEU C C 173.9 0.35 1 208 843 44 LEU CA C 49.32 0.35 1 209 843 44 LEU N N 116.7 0.2 1 210 844 45 ALA H H 8.876 0.02 1 211 844 45 ALA HA H 6.031 0.02 1 212 844 45 ALA C C 171.4 0.35 1 213 844 45 ALA CA C 48.63 0.35 1 214 844 45 ALA N N 122.3 0.2 1 215 845 46 TYR H H 8.575 0.02 1 216 845 46 TYR HA H 6.637 0.02 1 217 845 46 TYR C C 172.7 0.35 1 218 845 46 TYR CA C 53.96 0.35 1 219 845 46 TYR N N 116 0.2 1 220 846 47 VAL H H 8.648 0.02 1 221 846 47 VAL HA H 5.67 0.02 1 222 846 47 VAL C C 169.8 0.35 1 223 846 47 VAL CA C 57.57 0.35 1 224 846 47 VAL N N 120.9 0.2 1 225 847 48 GLU H H 8.783 0.02 1 226 847 48 GLU HA H 6.038 0.02 1 227 847 48 GLU C C 172.9 0.35 1 228 847 48 GLU CA C 51.92 0.35 1 229 847 48 GLU N N 127.7 0.2 1 230 848 49 TYR H H 8.68 0.02 1 231 848 49 TYR HA H 6.125 0.02 1 232 848 49 TYR C C 173 0.35 1 233 848 49 TYR CA C 55.9 0.35 1 234 848 49 TYR N N 125.5 0.2 1 235 849 50 GLU H H 7.907 0.02 1 236 849 50 GLU HA H 4.9 0.02 1 237 849 50 GLU C C 173 0.35 1 238 849 50 GLU CA C 55.99 0.35 1 239 849 50 GLU N N 117 0.2 1 240 850 51 ASN H H 7.369 0.02 1 241 850 51 ASN HA H 5.822 0.02 1 242 850 51 ASN C C 172.2 0.35 1 243 850 51 ASN CA C 49.39 0.35 1 244 850 51 ASN N N 108.8 0.2 1 245 851 52 GLU H H 8.982 0.02 1 246 851 52 GLU HA H 5.04 0.02 1 247 851 52 GLU C C 175.4 0.35 1 248 851 52 GLU CA C 56.38 0.35 1 249 851 52 GLU N N 119 0.2 1 250 852 53 SER H H 8.313 0.02 1 251 852 53 SER HA H 5.142 0.02 1 252 852 53 SER C C 174.7 0.35 1 253 852 53 SER CA C 58.89 0.35 1 254 852 53 SER N N 118.4 0.2 1 255 853 54 GLN H H 8.012 0.02 1 256 853 54 GLN HA H 4.805 0.02 1 257 853 54 GLN C C 174.3 0.35 1 258 853 54 GLN CA C 55.47 0.35 1 259 853 54 GLN N N 122.1 0.2 1 260 854 55 ALA H H 6.99 0.02 1 261 854 55 ALA HA H 4.51 0.02 1 262 854 55 ALA C C 175.9 0.35 1 263 854 55 ALA CA C 52.4 0.35 1 264 854 55 ALA N N 118.7 0.2 1 265 855 56 SER H H 8.252 0.02 1 266 855 56 SER HA H 4.929 0.02 1 267 855 56 SER C C 174.4 0.35 1 268 855 56 SER CA C 59.1 0.35 1 269 855 56 SER N N 111.6 0.2 1 270 856 57 GLN H H 7.559 0.02 1 271 856 57 GLN HA H 4.902 0.02 1 272 856 57 GLN C C 174.5 0.35 1 273 856 57 GLN CA C 55.84 0.35 1 274 856 57 GLN N N 122.2 0.2 1 275 857 58 ALA H H 7.89 0.02 1 276 857 58 ALA HA H 4.014 0.02 1 277 857 58 ALA C C 176.9 0.35 1 278 857 58 ALA CA C 52.59 0.35 1 279 857 58 ALA N N 121.7 0.2 1 280 858 59 VAL H H 7.906 0.02 1 281 858 59 VAL HA H 4.186 0.02 1 282 858 59 VAL C C 174.7 0.35 1 283 858 59 VAL CA C 64.36 0.35 1 284 858 59 VAL N N 116.9 0.2 1 285 859 60 MET H H 7.107 0.02 1 286 859 60 MET HA H 5.003 0.02 1 287 859 60 MET C C 176 0.35 1 288 859 60 MET CA C 55.54 0.35 1 289 859 60 MET N N 116 0.2 1 290 860 61 LYS H H 7.675 0.02 1 291 860 61 LYS HA H 5.101 0.02 1 292 860 61 LYS C C 175.6 0.35 1 293 860 61 LYS CA C 53.9 0.35 1 294 860 61 LYS N N 115.2 0.2 1 295 861 62 MET H H 8.476 0.02 1 296 861 62 MET HA H 5.343 0.02 1 297 861 62 MET C C 174.1 0.35 1 298 861 62 MET CA C 54.8 0.35 1 299 861 62 MET N N 115.7 0.2 1 300 862 63 ASP H H 7.714 0.02 1 301 862 63 ASP HA H 5.165 0.02 1 302 862 63 ASP C C 175.1 0.35 1 303 862 63 ASP CA C 55.26 0.35 1 304 862 63 ASP N N 117.3 0.2 1 305 863 64 GLY H H 8.298 0.02 1 306 863 64 GLY HA2 H 4.606 0.02 1 307 863 64 GLY HA3 H 5.061 0.02 1 308 863 64 GLY C C 171.4 0.35 1 309 863 64 GLY CA C 43.01 0.35 1 310 863 64 GLY N N 116.4 0.2 1 311 864 65 MET H H 7.897 0.02 1 312 864 65 MET HA H 5.331 0.02 1 313 864 65 MET C C 170.4 0.35 1 314 864 65 MET CA C 53.19 0.35 1 315 864 65 MET N N 120.5 0.2 1 316 865 66 THR H H 8.126 0.02 1 317 865 66 THR HA H 5.978 0.02 1 318 865 66 THR C C 172.3 0.35 1 319 865 66 THR CA C 58.66 0.35 1 320 865 66 THR N N 114.9 0.2 1 321 866 67 ILE H H 8.862 0.02 1 322 866 67 ILE HA H 4.936 0.02 1 323 866 67 ILE C C 172 0.35 1 324 866 67 ILE CA C 58.73 0.35 1 325 866 67 ILE N N 126.4 0.2 1 326 867 68 LYS H H 9.051 0.02 1 327 867 68 LYS HA H 5.015 0.02 1 328 867 68 LYS C C 172.8 0.35 1 329 867 68 LYS CA C 55.53 0.35 1 330 867 68 LYS N N 124.9 0.2 1 331 868 69 GLU H H 8.289 0.02 1 332 868 69 GLU HA H 4.945 0.02 1 333 868 69 GLU C C 172.7 0.35 1 334 868 69 GLU CA C 54.88 0.35 1 335 868 69 GLU N N 115.4 0.2 1 336 869 70 ASN H H 8.117 0.02 1 337 869 70 ASN HA H 5.766 0.02 1 338 869 70 ASN C C 170.5 0.35 1 339 869 70 ASN CA C 49.71 0.35 1 340 869 70 ASN N N 121.8 0.2 1 341 870 71 ILE H H 8.156 0.02 1 342 870 71 ILE HA H 5.348 0.02 1 343 870 71 ILE C C 174.3 0.35 1 344 870 71 ILE CA C 58.01 0.35 1 345 870 71 ILE N N 122 0.2 1 346 871 72 ILE H H 8.308 0.02 1 347 871 72 ILE HA H 5.735 0.02 1 348 871 72 ILE C C 172.3 0.35 1 349 871 72 ILE CA C 57.25 0.35 1 350 871 72 ILE N N 122.4 0.2 1 351 872 73 LYS H H 8.271 0.02 1 352 872 73 LYS HA H 5.943 0.02 1 353 872 73 LYS C C 172.7 0.35 1 354 872 73 LYS CA C 51.31 0.35 1 355 872 73 LYS N N 123 0.2 1 356 873 74 VAL H H 8.965 0.02 1 357 873 74 VAL HA H 5.689 0.02 1 358 873 74 VAL C C 170.3 0.35 1 359 873 74 VAL CA C 58.4 0.35 1 360 873 74 VAL N N 124.5 0.2 1 361 874 75 ALA H H 8.441 0.02 1 362 874 75 ALA HA H 5.608 0.02 1 363 874 75 ALA C C 173.2 0.35 1 364 874 75 ALA CA C 47.65 0.35 1 365 874 75 ALA N N 127.1 0.2 1 366 875 76 ILE H H 8.5 0.02 1 367 875 76 ILE HA H 5.249 0.02 1 368 875 76 ILE C C 173.8 0.35 1 369 875 76 ILE CA C 58.34 0.35 1 370 875 76 ILE N N 120.9 0.2 1 371 876 77 SER H H 8.757 0.02 1 372 876 77 SER HA H 5.426 0.02 1 373 876 77 SER C C 170.8 0.35 1 374 876 77 SER CA C 55.13 0.35 1 375 876 77 SER N N 122.5 0.2 1 376 877 78 ASN H H 8.045 0.02 1 377 877 78 ASN CA C 52.19 0.35 1 378 877 78 ASN N N 127.8 0.2 1 stop_ save_