data_19064 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; TIAR RRM2 chemical shifts in bound to RNA 5'-UUAUUU-3' ; _BMRB_accession_number 19064 _BMRB_flat_file_name bmr19064.str _Entry_type original _Submission_date 2013-02-28 _Accession_date 2013-02-28 _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 Henry S. . 2 Headey Stephen J. . 3 Yoga Yano MK. . 4 Scanlon Martin J. . 5 Gorospe Miriam . . 6 Wilce Matthew CJ. . 7 Wilce Jacqueline A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 83 "13C chemical shifts" 246 "15N chemical shifts" 83 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-13 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19063 'TIAR RRM2 chemical shifts in the apo state' stop_ _Original_release_date 2014-02-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Distinct binding properties of TIAR RRMs and linker region.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23603827 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kim Henry S. . 2 Headey Stephen J. . 3 Yoga Yano M.K. . 4 Scanlon Martin J. . 5 Gorospe Myriam . . 6 Wilce Matthew C.J. . 7 Wilce Jacqueline A. . stop_ _Journal_abbreviation 'RNA Biol' _Journal_name_full 'RNA biology' _Journal_volume 10 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 579 _Page_last 589 _Year 2013 _Details . loop_ _Keyword ARE NMR RNA-binding RRM SPR TIAR 'translation regulation' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'TIAR RRM2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'TIAR RRM2' $TIAR_RRM2 'RNA 5'-UUAUUU-3'' $RNA_TIAR_RRM2 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_TIAR_RRM2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TIAR_RRM2 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'translation regulation' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 101 _Mol_residue_sequence ; GSPGISGGGGGIPSNHFHVF VGDLSPEITTEDIKSAFAPF GKISDARVVKDMATGKSKGY GFVSFYNKLDAENAIVHMGG QWLGGRQIRTNWATRKPPAP K ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -13 GLY 2 -12 SER 3 -11 PRO 4 -10 GLY 5 -9 ILE 6 -8 SER 7 -7 GLY 8 -6 GLY 9 -5 GLY 10 -4 GLY 11 -3 GLY 12 -2 ILE 13 -1 PRO 14 94 SER 15 95 ASN 16 96 HIS 17 97 PHE 18 98 HIS 19 99 VAL 20 100 PHE 21 101 VAL 22 102 GLY 23 103 ASP 24 104 LEU 25 105 SER 26 106 PRO 27 107 GLU 28 108 ILE 29 109 THR 30 110 THR 31 111 GLU 32 112 ASP 33 113 ILE 34 114 LYS 35 115 SER 36 116 ALA 37 117 PHE 38 118 ALA 39 119 PRO 40 120 PHE 41 121 GLY 42 122 LYS 43 123 ILE 44 124 SER 45 125 ASP 46 126 ALA 47 127 ARG 48 128 VAL 49 129 VAL 50 130 LYS 51 131 ASP 52 132 MET 53 133 ALA 54 134 THR 55 135 GLY 56 136 LYS 57 137 SER 58 138 LYS 59 139 GLY 60 140 TYR 61 141 GLY 62 142 PHE 63 143 VAL 64 144 SER 65 145 PHE 66 146 TYR 67 147 ASN 68 148 LYS 69 149 LEU 70 150 ASP 71 151 ALA 72 152 GLU 73 153 ASN 74 154 ALA 75 155 ILE 76 156 VAL 77 157 HIS 78 158 MET 79 159 GLY 80 160 GLY 81 161 GLN 82 162 TRP 83 163 LEU 84 164 GLY 85 165 GLY 86 166 ARG 87 167 GLN 88 168 ILE 89 169 ARG 90 170 THR 91 171 ASN 92 172 TRP 93 173 ALA 94 174 THR 95 175 ARG 96 176 LYS 97 177 PRO 98 178 PRO 99 179 ALA 100 180 PRO 101 181 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 BMRB 19063 TIAR_RRM2 100.00 101 100.00 100.00 5.78e-66 PDB 2DH7 "Solution Structure Of The Second Rna Binding Domain In Nucleolysin Tiar" 86.14 105 100.00 100.00 7.43e-57 GB AAO49722 "TIAR, partial [Gallus gallus]" 55.45 56 100.00 100.00 6.94e-31 REF XP_004599869 "PREDICTED: nucleolysin TIAR-like [Ochotona princeps]" 87.13 184 100.00 100.00 6.35e-57 REF XP_005088544 "PREDICTED: nucleolysin TIAR-like, partial [Mesocricetus auratus]" 87.13 198 100.00 100.00 6.28e-57 REF XP_009584998 "PREDICTED: nucleolysin TIAR-like, partial [Fulmarus glacialis]" 55.45 127 100.00 100.00 1.54e-30 stop_ save_ save_RNA_TIAR_RRM2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_TIAR_RRM2 _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 6 _Mol_residue_sequence UUAUUU loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 U 2 2 U 3 3 A 4 4 U 5 5 U 6 6 U 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 $TIAR_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 $TIAR_RRM2 'recombinant technology' . Escherichia coli . pET stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_TIAR_RRM2_apo1 _Saveframe_category sample _Sample_type solution _Details apo loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TIAR_RRM2 . mM '[U-13C; U-15N]' $RNA_TIAR_RRM2 . mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_TIAR_RRM2_apo2 _Saveframe_category sample _Sample_type solution _Details apo loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TIAR_RRM2 . mM '[U-13C; U-15N]' $RNA_TIAR_RRM2 . mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $TIAR_RRM2_apo1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $TIAR_RRM2_apo1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $TIAR_RRM2_apo1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $TIAR_RRM2_apo1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 150 . mM pH 6 . 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_RNA_TIAR_RRM2_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' stop_ loop_ _Sample_label $TIAR_RRM2_apo1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'TIAR 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 94 14 SER H H 8.227 0.02 . 2 94 14 SER C C 173.966 0.2 . 3 94 14 SER CA C 57.87 0.2 . 4 94 14 SER CB C 63.607 0.2 . 5 94 14 SER N N 116.487 0.2 . 6 95 15 ASN H H 8.151 0.02 . 7 95 15 ASN C C 173.88 0.2 . 8 95 15 ASN CA C 52.617 0.2 . 9 95 15 ASN CB C 38.517 0.2 . 10 95 15 ASN N N 120.643 0.2 . 11 96 16 HIS H H 7.59 0.02 . 12 96 16 HIS C C 172.048 0.2 . 13 96 16 HIS CA C 53.341 0.2 . 14 96 16 HIS CB C 30.935 0.2 . 15 96 16 HIS N N 117.799 0.2 . 16 97 17 PHE H H 8.37 0.02 . 17 97 17 PHE C C 174.899 0.2 . 18 97 17 PHE CA C 58.046 0.2 . 19 97 17 PHE CB C 40.943 0.2 . 20 97 17 PHE N N 118.456 0.2 . 21 98 18 HIS H H 9.07 0.02 . 22 98 18 HIS C C 173.828 0.2 . 23 98 18 HIS CA C 56.253 0.2 . 24 98 18 HIS CB C 32.952 0.2 . 25 98 18 HIS N N 124.6 0.2 . 26 99 19 VAL H H 9.653 0.02 . 27 99 19 VAL C C 175.055 0.2 . 28 99 19 VAL CA C 61.929 0.2 . 29 99 19 VAL CB C 34.147 0.2 . 30 99 19 VAL N N 126.7 0.2 . 31 100 20 PHE H H 8.958 0.02 . 32 100 20 PHE C C 172.325 0.2 . 33 100 20 PHE CA C 56.627 0.2 . 34 100 20 PHE CB C 40.644 0.2 . 35 100 20 PHE N N 128.4 0.2 . 36 101 21 VAL H H 7.554 0.02 . 37 101 21 VAL C C 173.24 0.2 . 38 101 21 VAL CA C 59.017 0.2 . 39 101 21 VAL CB C 32.279 0.2 . 40 101 21 VAL N N 127.424 0.2 . 41 102 22 GLY H H 8.523 0.02 . 42 102 22 GLY C C 172.186 0.2 . 43 102 22 GLY CA C 43.109 0.2 . 44 102 22 GLY N N 111.6 0.2 . 45 103 23 ASP H H 8.086 0.02 . 46 103 23 ASP C C 173.724 0.2 . 47 103 23 ASP CA C 55.282 0.2 . 48 103 23 ASP CB C 38.254 0.2 . 49 103 23 ASP N N 115.83 0.2 . 50 104 24 LEU H H 7.436 0.02 . 51 104 24 LEU C C 178.182 0.2 . 52 104 24 LEU CA C 52.594 0.2 . 53 104 24 LEU CB C 42.586 0.2 . 54 104 24 LEU N N 112.987 0.2 . 55 105 25 SER H H 8.804 0.02 . 56 105 25 SER CA C 56.488 0.2 . 57 105 25 SER CB C 62.709 0.2 . 58 105 25 SER N N 121.62 0.2 . 59 106 26 PRO C C 176.143 0.2 . 60 106 26 PRO CA C 65.29 0.2 . 61 106 26 PRO CB C 31.831 0.2 . 62 107 27 GLU H H 8.895 0.02 . 63 107 27 GLU C C 176.627 0.2 . 64 107 27 GLU CA C 56.179 0.2 . 65 107 27 GLU CB C 28.695 0.2 . 66 107 27 GLU N N 116.487 0.2 . 67 108 28 ILE H H 7.236 0.02 . 68 108 28 ILE C C 176.886 0.2 . 69 108 28 ILE CA C 59.017 0.2 . 70 108 28 ILE CB C 34.669 0.2 . 71 108 28 ILE N N 122.174 0.2 . 72 109 29 THR H H 9.286 0.02 . 73 109 29 THR C C 176.126 0.2 . 74 109 29 THR CA C 59.737 0.2 . 75 109 29 THR CB C 73.008 0.2 . 76 109 29 THR N N 121.518 0.2 . 77 110 30 THR H H 8.889 0.02 . 78 110 30 THR C C 175.314 0.2 . 79 110 30 THR CA C 66.634 0.2 . 80 110 30 THR CB C 68.427 0.2 . 81 110 30 THR N N 118.674 0.2 . 82 111 31 GLU H H 8.233 0.02 . 83 111 31 GLU C C 178.787 0.2 . 84 111 31 GLU CA C 59.988 0.2 . 85 111 31 GLU CB C 28.396 0.2 . 86 111 31 GLU N N 120.643 0.2 . 87 112 32 ASP H H 7.535 0.02 . 88 112 32 ASP C C 179.634 0.2 . 89 112 32 ASP CA C 57.15 0.2 . 90 112 32 ASP CB C 41.242 0.2 . 91 112 32 ASP N N 120.206 0.2 . 92 113 33 ILE H H 7.695 0.02 . 93 113 33 ILE C C 177.353 0.2 . 94 113 33 ILE CA C 63.946 0.2 . 95 113 33 ILE CB C 36.761 0.2 . 96 113 33 ILE N N 118.237 0.2 . 97 114 34 LYS H H 8.193 0.02 . 98 114 34 LYS C C 178.01 0.2 . 99 114 34 LYS CA C 60.734 0.2 . 100 114 34 LYS CB C 31.831 0.2 . 101 114 34 LYS N N 121.96 0.2 . 102 115 35 SER H H 7.867 0.02 . 103 115 35 SER C C 176.662 0.2 . 104 115 35 SER CA C 61.108 0.2 . 105 115 35 SER CB C 62.602 0.2 . 106 115 35 SER N N 112.33 0.2 . 107 116 36 ALA H H 7.776 0.02 . 108 116 36 ALA C C 177.612 0.2 . 109 116 36 ALA CA C 53.723 0.2 . 110 116 36 ALA CB C 18.749 0.2 . 111 116 36 ALA N N 121.518 0.2 . 112 117 37 PHE H H 7.917 0.02 . 113 117 37 PHE C C 175.331 0.2 . 114 117 37 PHE CA C 59.241 0.2 . 115 117 37 PHE CB C 39.823 0.2 . 116 117 37 PHE N N 112.549 0.2 . 117 118 38 ALA H H 7.817 0.02 . 118 118 38 ALA CA C 55.282 0.2 . 119 118 38 ALA CB C 16.596 0.2 . 120 118 38 ALA N N 125.456 0.2 . 121 119 39 PRO C C 177.249 0.2 . 122 119 39 PRO CA C 64.842 0.2 . 123 119 39 PRO CB C 30.711 0.2 . 124 120 40 PHE H H 7.552 0.02 . 125 120 40 PHE C C 174.329 0.2 . 126 120 40 PHE CA C 59.39 0.2 . 127 120 40 PHE CB C 38.702 0.2 . 128 120 40 PHE N N 112.987 0.2 . 129 121 41 GLY H H 7.489 0.02 . 130 121 41 GLY C C 171.426 0.2 . 131 121 41 GLY CA C 44.08 0.2 . 132 121 41 GLY N N 105.33 0.2 . 133 122 42 LYS H H 8.058 0.02 . 134 122 42 LYS C C 177.007 0.2 . 135 122 42 LYS CA C 57.523 0.2 . 136 122 42 LYS CB C 32.728 0.2 . 137 122 42 LYS N N 117.581 0.2 . 138 123 43 ILE H H 8.33 0.02 . 139 123 43 ILE C C 176.624 0.2 . 140 123 43 ILE CA C 60.062 0.2 . 141 123 43 ILE CB C 40.495 0.2 . 142 123 43 ILE N N 128.4 0.2 . 143 124 44 SER H H 8.657 0.02 . 144 124 44 SER C C 174.277 0.2 . 145 124 44 SER CA C 58.419 0.2 . 146 124 44 SER CB C 62.377 0.2 . 147 124 44 SER N N 123.924 0.2 . 148 125 45 ASP H H 7.14 0.02 . 149 125 45 ASP C C 172.532 0.2 . 150 125 45 ASP CA C 53.266 0.2 . 151 125 45 ASP CB C 43.557 0.2 . 152 125 45 ASP N N 119.549 0.2 . 153 126 46 ALA H H 8.024 0.02 . 154 126 46 ALA C C 175.141 0.2 . 155 126 46 ALA CA C 51.473 0.2 . 156 126 46 ALA CB C 22.421 0.2 . 157 126 46 ALA N N 121.1 0.2 . 158 127 47 ARG H H 8.647 0.02 . 159 127 47 ARG C C 174.329 0.2 . 160 127 47 ARG CA C 55.88 0.2 . 161 127 47 ARG CB C 33.026 0.2 . 162 127 47 ARG N N 116.049 0.2 . 163 128 48 VAL H H 7.563 0.02 . 164 128 48 VAL C C 175.85 0.2 . 165 128 48 VAL CA C 62.826 0.2 . 166 128 48 VAL CB C 32.952 0.2 . 167 128 48 VAL N N 125.1 0.2 . 168 129 49 VAL H H 8.268 0.02 . 169 129 49 VAL C C 173.828 0.2 . 170 129 49 VAL CA C 64.095 0.2 . 171 129 49 VAL CB C 30.263 0.2 . 172 129 49 VAL N N 131.2 0.2 . 173 130 50 LYS H H 8.017 0.02 . 174 130 50 LYS C C 175.746 0.2 . 175 130 50 LYS CA C 53.723 0.2 . 176 130 50 LYS CB C 35.199 0.2 . 177 130 50 LYS N N 125.674 0.2 . 178 131 51 ASP H H 8.522 0.02 . 179 131 51 ASP C C 177.267 0.2 . 180 131 51 ASP CA C 53.415 0.2 . 181 131 51 ASP CB C 42.388 0.2 . 182 131 51 ASP N N 122.393 0.2 . 183 132 52 MET H H 8.916 0.02 . 184 132 52 MET C C 177.318 0.2 . 185 132 52 MET CA C 56.972 0.2 . 186 132 52 MET CB C 31.259 0.2 . 187 132 52 MET N N 127.643 0.2 . 188 133 53 ALA H H 8.438 0.02 . 189 133 53 ALA C C 179.513 0.2 . 190 133 53 ALA CA C 54.013 0.2 . 191 133 53 ALA CB C 18.911 0.2 . 192 133 53 ALA N N 121.299 0.2 . 193 134 54 THR H H 7.617 0.02 . 194 134 54 THR C C 176.437 0.2 . 195 134 54 THR CA C 61.108 0.2 . 196 134 54 THR CB C 70.966 0.2 . 197 134 54 THR N N 105.33 0.2 . 198 135 55 GLY H H 8.328 0.02 . 199 135 55 GLY C C 173.517 0.2 . 200 135 55 GLY CA C 45.275 0.2 . 201 135 55 GLY N N 111.893 0.2 . 202 136 56 LYS H H 7.579 0.02 . 203 136 56 LYS C C 176.264 0.2 . 204 136 56 LYS CA C 55.208 0.2 . 205 136 56 LYS CB C 33.402 0.2 . 206 136 56 LYS N N 119.768 0.2 . 207 137 57 SER H H 8.646 0.02 . 208 137 57 SER C C 176.956 0.2 . 209 137 57 SER CA C 57.971 0.2 . 210 137 57 SER CB C 63.647 0.2 . 211 137 57 SER N N 116.049 0.2 . 212 138 58 LYS H H 9.18 0.02 . 213 138 58 LYS C C 177.042 0.2 . 214 138 58 LYS CA C 56.477 0.2 . 215 138 58 LYS CB C 32.429 0.2 . 216 138 58 LYS N N 126.331 0.2 . 217 139 59 GLY H H 8.931 0.02 . 218 139 59 GLY C C 172.601 0.2 . 219 139 59 GLY CA C 45.125 0.2 . 220 139 59 GLY N N 106.33 0.2 . 221 140 60 TYR H H 6.869 0.02 . 222 140 60 TYR C C 172.083 0.2 . 223 140 60 TYR CA C 54.909 0.2 . 224 140 60 TYR CB C 40.271 0.2 . 225 140 60 TYR N N 113.424 0.2 . 226 141 61 GLY H H 8.663 0.02 . 227 141 61 GLY C C 169.041 0.2 . 228 141 61 GLY CA C 44.976 0.2 . 229 141 61 GLY N N 106.862 0.2 . 230 142 62 PHE H H 8.324 0.02 . 231 142 62 PHE C C 174.519 0.2 . 232 142 62 PHE CA C 55.656 0.2 . 233 142 62 PHE CB C 44.752 0.2 . 234 142 62 PHE N N 114 0.2 . 235 143 63 VAL H H 8.857 0.02 . 236 143 63 VAL C C 173.448 0.2 . 237 143 63 VAL CA C 60.734 0.2 . 238 143 63 VAL CB C 34.445 0.2 . 239 143 63 VAL N N 120.643 0.2 . 240 144 64 SER H H 8.547 0.02 . 241 144 64 SER C C 172.722 0.2 . 242 144 64 SER CA C 56.627 0.2 . 243 144 64 SER CB C 63.796 0.2 . 244 144 64 SER N N 122.4 0.2 . 245 145 65 PHE H H 9.147 0.02 . 246 145 65 PHE C C 175.884 0.2 . 247 145 65 PHE CA C 56.695 0.2 . 248 145 65 PHE CB C 42.586 0.2 . 249 145 65 PHE N N 122.612 0.2 . 250 146 66 TYR H H 7.871 0.02 . 251 146 66 TYR C C 175.746 0.2 . 252 146 66 TYR CA C 61.108 0.2 . 253 146 66 TYR CB C 38.777 0.2 . 254 146 66 TYR N N 118.456 0.2 . 255 147 67 ASN H H 8.425 0.02 . 256 147 67 ASN C C 174.45 0.2 . 257 147 67 ASN CA C 51.623 0.2 . 258 147 67 ASN CB C 40.719 0.2 . 259 147 67 ASN N N 115 0.2 . 260 148 68 LYS H H 8.219 0.02 . 261 148 68 LYS C C 177.388 0.2 . 262 148 68 LYS CA C 59.988 0.2 . 263 148 68 LYS CB C 32.055 0.2 . 264 148 68 LYS N N 128.081 0.2 . 265 149 69 LEU H H 8.081 0.02 . 266 149 69 LEU C C 178.649 0.2 . 267 149 69 LEU CA C 57.15 0.2 . 268 149 69 LEU CB C 41.242 0.2 . 269 149 69 LEU N N 118.674 0.2 . 270 150 70 ASP H H 6.898 0.02 . 271 150 70 ASP C C 176.403 0.2 . 272 150 70 ASP CA C 56.35 0.2 . 273 150 70 ASP CB C 40.314 0.2 . 274 150 70 ASP N N 120.424 0.2 . 275 151 71 ALA H H 6.59 0.02 . 276 151 71 ALA C C 178.027 0.2 . 277 151 71 ALA CA C 54.087 0.2 . 278 151 71 ALA CB C 18.986 0.2 . 279 151 71 ALA N N 120.424 0.2 . 280 152 72 GLU H H 8.314 0.02 . 281 152 72 GLU C C 178.338 0.2 . 282 152 72 GLU CA C 59.39 0.2 . 283 152 72 GLU CB C 29.815 0.2 . 284 152 72 GLU N N 118.018 0.2 . 285 153 73 ASN H H 8.072 0.02 . 286 153 73 ASN C C 177.733 0.2 . 287 153 73 ASN CA C 55.282 0.2 . 288 153 73 ASN CB C 38.105 0.2 . 289 153 73 ASN N N 117.799 0.2 . 290 154 74 ALA H H 7.888 0.02 . 291 154 74 ALA C C 178.839 0.2 . 292 154 74 ALA CA C 54.414 0.2 . 293 154 74 ALA CB C 18.887 0.2 . 294 154 74 ALA N N 123.924 0.2 . 295 155 75 ILE H H 7.955 0.02 . 296 155 75 ILE C C 179.323 0.2 . 297 155 75 ILE CA C 66.41 0.2 . 298 155 75 ILE CB C 37.881 0.2 . 299 155 75 ILE N N 118.14 0.2 . 300 156 76 VAL H H 7.723 0.02 . 301 156 76 VAL C C 178.182 0.2 . 302 156 76 VAL CA C 64.991 0.2 . 303 156 76 VAL CB C 31.981 0.2 . 304 156 76 VAL N N 117.362 0.2 . 305 157 77 HIS H H 7.828 0.02 . 306 157 77 HIS C C 176.213 0.2 . 307 157 77 HIS CA C 58.494 0.2 . 308 157 77 HIS CB C 29.143 0.2 . 309 157 77 HIS N N 114.518 0.2 . 310 158 78 MET H H 7.673 0.02 . 311 158 78 MET C C 177.146 0.2 . 312 158 78 MET CA C 53.415 0.2 . 313 158 78 MET CB C 30.487 0.2 . 314 158 78 MET N N 114.737 0.2 . 315 159 79 GLY H H 6.912 0.02 . 316 159 79 GLY CA C 48.486 0.2 . 317 159 79 GLY N N 107.737 0.2 . 318 160 80 GLY H H 8.343 0.02 . 319 160 80 GLY C C 174.364 0.2 . 320 160 80 GLY CA C 45.424 0.2 . 321 160 80 GLY N N 115.83 0.2 . 322 161 81 GLN H H 7.439 0.02 . 323 161 81 GLN C C 174.878 0.2 . 324 161 81 GLN CA C 54.685 0.2 . 325 161 81 GLN CB C 28.396 0.2 . 326 161 81 GLN N N 119.549 0.2 . 327 162 82 TRP H H 8.52 0.02 . 328 162 82 TRP C C 176.351 0.2 . 329 162 82 TRP CA C 57.374 0.2 . 330 162 82 TRP CB C 28.695 0.2 . 331 162 82 TRP N N 121.518 0.2 . 332 163 83 LEU H H 8.448 0.02 . 333 163 83 LEU C C 176.558 0.2 . 334 163 83 LEU CA C 54.311 0.2 . 335 163 83 LEU CB C 43.706 0.2 . 336 163 83 LEU N N 126.549 0.2 . 337 164 84 GLY H H 9.194 0.02 . 338 164 84 GLY C C 175.539 0.2 . 339 164 84 GLY CA C 46.918 0.2 . 340 164 84 GLY N N 115.83 0.2 . 341 165 85 GLY H H 8.607 0.02 . 342 165 85 GLY C C 173.569 0.2 . 343 165 85 GLY CA C 45.349 0.2 . 344 165 85 GLY N N 108.5 0.2 . 345 166 86 ARG H H 7.501 0.02 . 346 166 86 ARG C C 173.586 0.2 . 347 166 86 ARG CA C 54.76 0.2 . 348 166 86 ARG CB C 33.997 0.2 . 349 166 86 ARG N N 118.893 0.2 . 350 167 87 GLN H H 7.677 0.02 . 351 167 87 GLN C C 176.053 0.2 . 352 167 87 GLN CA C 54.76 0.2 . 353 167 87 GLN CB C 29.441 0.2 . 354 167 87 GLN N N 122.174 0.2 . 355 168 88 ILE H H 8.031 0.02 . 356 168 88 ILE C C 175.975 0.2 . 357 168 88 ILE CA C 60.66 0.2 . 358 168 88 ILE CB C 39.599 0.2 . 359 168 88 ILE N N 118.7 0.2 . 360 169 89 ARG H H 7.799 0.02 . 361 169 89 ARG C C 175.028 0.2 . 362 169 89 ARG CA C 53.415 0.2 . 363 169 89 ARG CB C 33.176 0.2 . 364 169 89 ARG N N 120.206 0.2 . 365 170 90 THR H H 8.279 0.02 . 366 170 90 THR C C 174.035 0.2 . 367 170 90 THR CA C 57.971 0.2 . 368 170 90 THR CB C 71.041 0.2 . 369 170 90 THR N N 110.6 0.2 . 370 171 91 ASN H H 8.623 0.02 . 371 171 91 ASN C C 174.17 0.2 . 372 171 91 ASN CA C 51.772 0.2 . 373 171 91 ASN CB C 41.54 0.2 . 374 171 91 ASN N N 116 0.2 . 375 172 92 TRP H H 8.441 0.02 . 376 172 92 TRP C C 177.352 0.2 . 377 172 92 TRP CA C 57.971 0.2 . 378 172 92 TRP CB C 30.263 0.2 . 379 172 92 TRP N N 122.4 0.2 . 380 173 93 ALA H H 8.794 0.02 . 381 173 93 ALA C C 176.834 0.2 . 382 173 93 ALA CA C 51.548 0.2 . 383 173 93 ALA CB C 20.031 0.2 . 384 173 93 ALA N N 126.331 0.2 . 385 174 94 THR H H 8.447 0.02 . 386 174 94 THR C C 176.101 0.2 . 387 174 94 THR CA C 61.705 0.2 . 388 174 94 THR CB C 69.622 0.2 . 389 174 94 THR N N 117.36 0.2 . 390 175 95 ARG H H 8.348 0.02 . 391 175 95 ARG C C 174.492 0.2 . 392 175 95 ARG CA C 54.834 0.2 . 393 175 95 ARG CB C 30.935 0.2 . 394 175 95 ARG N N 123.5 0.2 . 395 176 96 LYS H H 8.403 0.02 . 396 176 96 LYS CA C 53.789 0.2 . 397 176 96 LYS CB C 31.831 0.2 . 398 176 96 LYS N N 125.377 0.2 . 399 178 98 PRO C C 175.929 0.2 . 400 178 98 PRO CA C 62.079 0.2 . 401 178 98 PRO CB C 31.607 0.2 . 402 179 99 ALA H H 8.147 0.02 . 403 179 99 ALA CA C 49.905 0.2 . 404 179 99 ALA CB C 17.791 0.2 . 405 179 99 ALA N N 126.112 0.2 . 406 180 100 PRO C C 175.85 0.2 . 407 180 100 PRO CA C 62.751 0.2 . 408 180 100 PRO CB C 31.682 0.2 . 409 181 101 LYS H H 7.777 0.02 . 410 181 101 LYS CA C 57.224 0.2 . 411 181 101 LYS CB C 33.549 0.2 . 412 181 101 LYS N N 127.1 0.2 . stop_ save_