data_19686 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; ASD-1 RRM domain bound to UGCAUGG RNA ; _BMRB_accession_number 19686 _BMRB_flat_file_name bmr19686.str _Entry_type original _Submission_date 2013-12-15 _Accession_date 2013-12-15 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'RRM domain from ASD-1 bound to the RNA ligand 5'-UGCAUGG-3'' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Amrane Samir . . 2 Mackereth Cameron D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 87 "13C chemical shifts" 185 "15N chemical shifts" 87 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-08-29 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19680 ASD-1 stop_ _Original_release_date 2014-08-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'BACKBONE-INDEPENDENT NUCLEIC ACID BINDING BY SPLICING FACTOR SUP-12 REVEALS KEY ASPECTS OF MOLECULAR RECOGNITION' _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 Amrane Samir . . 2 Rebora Karine . . 3 Zniber Ilyass . . 4 Dupuy Denis . . 5 Mackereth Cameron D. . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name ASD-1+RNA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ASD-1 $ASD-1 RNA $UGCAUGG 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_ASD-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ASD-1 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Alternative splicing factor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 99 _Mol_residue_sequence ; GAMGPVAPNDRSTSSSSTDG PRRLHVSNIPFKYREPDLTA MFEKVGPVVDVEIIFNERGS KGFGFVTMQNPDDADRARAE FNGTTIEGRRVEVNLATQR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 79 GLY 2 80 ALA 3 81 MET 4 82 GLY 5 83 PRO 6 84 VAL 7 85 ALA 8 86 PRO 9 87 ASN 10 88 ASP 11 89 ARG 12 90 SER 13 91 THR 14 92 SER 15 93 SER 16 94 SER 17 95 SER 18 96 THR 19 97 ASP 20 98 GLY 21 99 PRO 22 100 ARG 23 101 ARG 24 102 LEU 25 103 HIS 26 104 VAL 27 105 SER 28 106 ASN 29 107 ILE 30 108 PRO 31 109 PHE 32 110 LYS 33 111 TYR 34 112 ARG 35 113 GLU 36 114 PRO 37 115 ASP 38 116 LEU 39 117 THR 40 118 ALA 41 119 MET 42 120 PHE 43 121 GLU 44 122 LYS 45 123 VAL 46 124 GLY 47 125 PRO 48 126 VAL 49 127 VAL 50 128 ASP 51 129 VAL 52 130 GLU 53 131 ILE 54 132 ILE 55 133 PHE 56 134 ASN 57 135 GLU 58 136 ARG 59 137 GLY 60 138 SER 61 139 LYS 62 140 GLY 63 141 PHE 64 142 GLY 65 143 PHE 66 144 VAL 67 145 THR 68 146 MET 69 147 GLN 70 148 ASN 71 149 PRO 72 150 ASP 73 151 ASP 74 152 ALA 75 153 ASP 76 154 ARG 77 155 ALA 78 156 ARG 79 157 ALA 80 158 GLU 81 159 PHE 82 160 ASN 83 161 GLY 84 162 THR 85 163 THR 86 164 ILE 87 165 GLU 88 166 GLY 89 167 ARG 90 168 ARG 91 169 VAL 92 170 GLU 93 171 VAL 94 172 ASN 95 173 LEU 96 174 ALA 97 175 THR 98 176 GLN 99 177 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 19609 entity_1 81.82 94 100.00 100.00 6.23e-51 BMRB 19680 ASD-1 100.00 99 100.00 100.00 2.81e-64 PDB 2MGZ "Solution Structure Of Rbfox Family Asd-1 Rrm And Sup-12 Rrm In Ternary Complex With Rna" 81.82 94 100.00 100.00 6.23e-51 EMBL CAA85276 "Uncharacterized protein CELE_R74.5 [Caenorhabditis elegans]" 97.98 404 98.97 100.00 2.34e-57 EMBL CAD82915 "Uncharacterized protein CELE_R74.5 [Caenorhabditis elegans]" 59.60 286 100.00 100.00 1.06e-33 EMBL CCU83325 "Uncharacterized protein CELE_R74.5 [Caenorhabditis elegans]" 97.98 379 98.97 100.00 3.08e-57 GB ABF22491 "RNA-binding protein ASD-1 [Caenorhabditis elegans]" 97.98 404 98.97 100.00 2.34e-57 REF NP_001293646 "Uncharacterized protein CELE_R74.5 [Caenorhabditis elegans]" 97.98 379 98.97 100.00 3.08e-57 REF NP_497841 "Uncharacterized protein CELE_R74.5 [Caenorhabditis elegans]" 97.98 404 98.97 100.00 2.34e-57 REF NP_871667 "Uncharacterized protein CELE_R74.5 [Caenorhabditis elegans]" 59.60 286 100.00 100.00 1.06e-33 stop_ save_ save_UGCAUGG _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common UGCAUGG _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 7 _Mol_residue_sequence UGCAUGG loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 U 2 2 G 3 3 C 4 4 A 5 5 U 6 6 G 7 7 G 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 $ASD-1 nematodes 6239 Eukaryota Metazoa Caenorhabditis elegans $UGCAUGG nematodes 6239 Eukaryota Metazoa Caenorhabditis elegans stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $ASD-1 'recombinant technology' . . . BL21 pLysY pETHis1a $UGCAUGG 'chemical synthesis' . . . . . . 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 $ASD-1 0.2 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 300 mM 'natural abundance' D2O 10 % [U-2H] $UGCAUGG 0.25 mM 'natural abundance' H2O 90 % '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 processing stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2007 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details '5 mm PATXI 1H-13C/15N/D Z-GRD' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 320 . mM pH 6.5 . 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 external indirect . . . 0.251449530 water H 1 protons ppm 4.802 internal direct . . . 1.000000000 DSS N 15 'methyl protons' 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 HNCACB' 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 ASD-1 _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 80 2 ALA CA C 53.068 0.2 1 2 80 2 ALA CB C 19.908 0.2 1 3 81 3 MET H H 8.524 0.02 1 4 81 3 MET CA C 55.789 0.2 1 5 81 3 MET CB C 33.37 0.2 1 6 81 3 MET N N 119.473 0.2 1 7 82 4 GLY H H 8.207 0.02 1 8 82 4 GLY CA C 44.894 0.2 1 9 82 4 GLY N N 110.106 0.2 1 10 83 5 PRO CA C 63.594 0.2 1 11 83 5 PRO CB C 32.747 0.2 1 12 84 6 VAL H H 8.246 0.02 1 13 84 6 VAL CA C 62.686 0.2 1 14 84 6 VAL CB C 33.461 0.2 1 15 84 6 VAL N N 120.452 0.2 1 16 85 7 ALA H H 8.484 0.02 1 17 85 7 ALA CA C 50.784 0.2 1 18 85 7 ALA CB C 18.864 0.2 1 19 85 7 ALA N N 129.346 0.2 1 20 86 8 PRO CA C 63.806 0.2 1 21 86 8 PRO CB C 32.479 0.2 1 22 87 9 ASN H H 8.481 0.02 1 23 87 9 ASN CA C 53.843 0.2 1 24 87 9 ASN CB C 39.273 0.2 1 25 87 9 ASN N N 117.723 0.2 1 26 88 10 ASP H H 8.244 0.02 1 27 88 10 ASP CA C 54.904 0.2 1 28 88 10 ASP CB C 41.646 0.2 1 29 88 10 ASP N N 120.458 0.2 1 30 89 11 ARG H H 8.295 0.02 1 31 89 11 ARG CA C 56.663 0.2 1 32 89 11 ARG CB C 30.923 0.2 1 33 89 11 ARG N N 120.939 0.2 1 34 90 12 SER H H 8.438 0.02 1 35 90 12 SER CA C 59.416 0.2 1 36 90 12 SER CB C 64.211 0.2 1 37 90 12 SER N N 116.519 0.2 1 38 91 13 THR H H 8.194 0.02 1 39 91 13 THR CA C 62.213 0.2 1 40 91 13 THR CB C 69.952 0.2 1 41 91 13 THR N N 114.993 0.2 1 42 93 15 SER CA C 58.842 0.2 1 43 93 15 SER CB C 64.475 0.2 1 44 94 16 SER H H 8.32 0.02 1 45 94 16 SER CA C 58.886 0.2 1 46 94 16 SER CB C 64.306 0.2 1 47 94 16 SER N N 117.755 0.2 1 48 95 17 SER H H 8.431 0.02 1 49 95 17 SER CA C 58.972 0.2 1 50 95 17 SER CB C 64.253 0.2 1 51 95 17 SER N N 117.66 0.2 1 52 96 18 THR H H 8.249 0.02 1 53 96 18 THR CA C 62.464 0.2 1 54 96 18 THR CB C 69.87 0.2 1 55 96 18 THR N N 114.692 0.2 1 56 97 19 ASP H H 8.286 0.02 1 57 97 19 ASP CA C 54.978 0.2 1 58 97 19 ASP CB C 41.959 0.2 1 59 97 19 ASP N N 122.185 0.2 1 60 98 20 GLY H H 8.13 0.02 1 61 98 20 GLY CA C 45.518 0.2 1 62 98 20 GLY N N 108.637 0.2 1 63 99 21 PRO CA C 63.882 0.2 1 64 99 21 PRO CB C 32.723 0.2 1 65 100 22 ARG H H 8.293 0.02 1 66 100 22 ARG CA C 55.793 0.2 1 67 100 22 ARG CB C 32.877 0.2 1 68 100 22 ARG N N 117.992 0.2 1 69 101 23 ARG H H 8.204 0.02 1 70 101 23 ARG CA C 55.633 0.2 1 71 101 23 ARG CB C 32.811 0.2 1 72 101 23 ARG N N 123.794 0.2 1 73 102 24 LEU H H 9.705 0.02 1 74 102 24 LEU CA C 53.934 0.2 1 75 102 24 LEU CB C 44.776 0.2 1 76 102 24 LEU N N 127.34 0.2 1 77 103 25 HIS H H 9.222 0.02 1 78 103 25 HIS CA C 55.282 0.2 1 79 103 25 HIS CB C 35.267 0.2 1 80 103 25 HIS N N 123.852 0.2 1 81 104 26 VAL H H 8.344 0.02 1 82 104 26 VAL CA C 60.091 0.2 1 83 104 26 VAL CB C 33.576 0.2 1 84 104 26 VAL N N 126.612 0.2 1 85 105 27 SER H H 9.038 0.02 1 86 105 27 SER CA C 56.27 0.2 1 87 105 27 SER CB C 65.229 0.2 1 88 105 27 SER N N 117.825 0.2 1 89 106 28 ASN H H 7.603 0.02 1 90 106 28 ASN CA C 54.768 0.2 1 91 106 28 ASN CB C 38.311 0.2 1 92 106 28 ASN N N 119.365 0.2 1 93 107 29 ILE H H 7.236 0.02 1 94 107 29 ILE CA C 59.839 0.2 1 95 107 29 ILE CB C 36.993 0.2 1 96 107 29 ILE N N 107.026 0.2 1 97 108 30 PRO CA C 63.808 0.2 1 98 108 30 PRO CB C 32.832 0.2 1 99 109 31 PHE H H 9.253 0.02 1 100 109 31 PHE CA C 57.785 0.2 1 101 109 31 PHE CB C 37.677 0.2 1 102 109 31 PHE N N 128.361 0.2 1 103 110 32 LYS H H 8.456 0.02 1 104 110 32 LYS CA C 57.717 0.2 1 105 110 32 LYS CB C 32.865 0.2 1 106 110 32 LYS N N 112.319 0.2 1 107 111 33 TYR H H 7.706 0.02 1 108 111 33 TYR CA C 58.87 0.2 1 109 111 33 TYR CB C 37.749 0.2 1 110 111 33 TYR N N 120.059 0.2 1 111 112 34 ARG H H 9.904 0.02 1 112 112 34 ARG CA C 52.887 0.2 1 113 112 34 ARG CB C 33.743 0.2 1 114 112 34 ARG N N 124.024 0.2 1 115 113 35 GLU H H 10.48 0.02 1 116 113 35 GLU CA C 63.93 0.2 1 117 113 35 GLU CB C 26.805 0.2 1 118 113 35 GLU N N 122.605 0.2 1 119 114 36 PRO CA C 66.512 0.2 1 120 114 36 PRO CB C 31.675 0.2 1 121 115 37 ASP H H 7.321 0.02 1 122 115 37 ASP CA C 57.166 0.2 1 123 115 37 ASP CB C 41.07 0.2 1 124 115 37 ASP N N 115.036 0.2 1 125 116 38 LEU H H 7.363 0.02 1 126 116 38 LEU CA C 57.535 0.2 1 127 116 38 LEU CB C 43.18 0.2 1 128 116 38 LEU N N 118.68 0.2 1 129 117 39 THR H H 8.581 0.02 1 130 117 39 THR CA C 68.673 0.2 1 131 117 39 THR N N 116.623 0.2 1 132 118 40 ALA H H 7.707 0.02 1 133 118 40 ALA CA C 55.455 0.2 1 134 118 40 ALA CB C 18.633 0.2 1 135 118 40 ALA N N 120.127 0.2 1 136 119 41 MET H H 7.202 0.02 1 137 119 41 MET CA C 59.221 0.2 1 138 119 41 MET CB C 33.297 0.2 1 139 119 41 MET N N 115.125 0.2 1 140 120 42 PHE H H 7.944 0.02 1 141 120 42 PHE CA C 63.13 0.2 1 142 120 42 PHE CB C 39.93 0.2 1 143 120 42 PHE N N 114.414 0.2 1 144 121 43 GLU H H 8.828 0.02 1 145 121 43 GLU CA C 58.627 0.2 1 146 121 43 GLU CB C 29.565 0.2 1 147 121 43 GLU N N 120.497 0.2 1 148 122 44 LYS H H 7.091 0.02 1 149 122 44 LYS CA C 59.001 0.2 1 150 122 44 LYS CB C 33.1 0.2 1 151 122 44 LYS N N 116.784 0.2 1 152 123 45 VAL H H 7.973 0.02 1 153 123 45 VAL CA C 64.748 0.2 1 154 123 45 VAL CB C 32.967 0.2 1 155 123 45 VAL N N 117.826 0.2 1 156 124 46 GLY H H 7.867 0.02 1 157 124 46 GLY CA C 46.203 0.2 1 158 124 46 GLY N N 106.431 0.2 1 159 125 47 PRO CA C 63.93 0.2 1 160 125 47 PRO CB C 32.413 0.2 1 161 126 48 VAL H H 9.019 0.02 1 162 126 48 VAL CA C 62.285 0.2 1 163 126 48 VAL CB C 35.426 0.2 1 164 126 48 VAL N N 124.806 0.2 1 165 127 49 VAL H H 8.938 0.02 1 166 127 49 VAL CA C 63.07 0.2 1 167 127 49 VAL CB C 33.787 0.2 1 168 127 49 VAL N N 122.857 0.2 1 169 128 50 ASP H H 7.558 0.02 1 170 128 50 ASP CA C 55.203 0.2 1 171 128 50 ASP CB C 45.281 0.2 1 172 128 50 ASP N N 116.938 0.2 1 173 129 51 VAL H H 8.069 0.02 1 174 129 51 VAL CA C 61.316 0.2 1 175 129 51 VAL CB C 36.133 0.2 1 176 129 51 VAL N N 118.631 0.2 1 177 130 52 GLU H H 8.962 0.02 1 178 130 52 GLU CA C 56.365 0.2 1 179 130 52 GLU CB C 35.004 0.2 1 180 130 52 GLU N N 125.677 0.2 1 181 131 53 ILE CA C 60.107 0.2 1 182 131 53 ILE CB C 38.789 0.2 1 183 132 54 ILE H H 7.283 0.02 1 184 132 54 ILE CA C 58.271 0.2 1 185 132 54 ILE CB C 34.272 0.2 1 186 132 54 ILE N N 125.36 0.2 1 187 133 55 PHE H H 8.63 0.02 1 188 133 55 PHE CA C 56.737 0.2 1 189 133 55 PHE CB C 43.692 0.2 1 190 133 55 PHE N N 124.94 0.2 1 191 134 56 ASN H H 8.592 0.02 1 192 134 56 ASN CA C 52.444 0.2 1 193 134 56 ASN CB C 39.664 0.2 1 194 134 56 ASN N N 115.335 0.2 1 195 135 57 GLU H H 9.408 0.02 1 196 135 57 GLU CA C 59.763 0.2 1 197 135 57 GLU CB C 29.047 0.2 1 198 135 57 GLU N N 118.687 0.2 1 199 136 58 ARG H H 7.756 0.02 1 200 136 58 ARG CA C 56.724 0.2 1 201 136 58 ARG CB C 31.652 0.2 1 202 136 58 ARG N N 116.972 0.2 1 203 137 59 GLY H H 7.826 0.02 1 204 137 59 GLY CA C 43.638 0.2 1 205 137 59 GLY N N 106.231 0.2 1 206 138 60 SER H H 7.979 0.02 1 207 138 60 SER CA C 58.66 0.2 1 208 138 60 SER CB C 64.255 0.2 1 209 138 60 SER N N 114.717 0.2 1 210 139 61 LYS H H 9.43 0.02 1 211 139 61 LYS CA C 57.943 0.2 1 212 139 61 LYS CB C 31.207 0.2 1 213 139 61 LYS N N 123.764 0.2 1 214 140 62 GLY H H 9.606 0.02 1 215 140 62 GLY CA C 46.648 0.2 1 216 140 62 GLY N N 106.93 0.2 1 217 141 63 PHE H H 7.391 0.02 1 218 141 63 PHE CA C 55.484 0.2 1 219 141 63 PHE CB C 42.438 0.2 1 220 141 63 PHE N N 112.987 0.2 1 221 142 64 GLY H H 8.781 0.02 1 222 142 64 GLY CA C 45.899 0.2 1 223 142 64 GLY N N 105.063 0.2 1 224 143 65 PHE H H 9.082 0.02 1 225 143 65 PHE CA C 56.594 0.2 1 226 143 65 PHE CB C 44.022 0.2 1 227 143 65 PHE N N 116.126 0.2 1 228 144 66 VAL H H 8.733 0.02 1 229 144 66 VAL CA C 60.564 0.2 1 230 144 66 VAL CB C 37.112 0.2 1 231 144 66 VAL N N 118.003 0.2 1 232 145 67 THR H H 9.317 0.02 1 233 145 67 THR CA C 62.24 0.2 1 234 145 67 THR CB C 69.392 0.2 1 235 145 67 THR N N 123.73 0.2 1 236 146 68 MET H H 8.795 0.02 1 237 146 68 MET CA C 53.604 0.2 1 238 146 68 MET CB C 31.432 0.2 1 239 146 68 MET N N 126.109 0.2 1 240 147 69 GLN H H 8.353 0.02 1 241 147 69 GLN CA C 59.832 0.2 1 242 147 69 GLN CB C 30.584 0.2 1 243 147 69 GLN N N 120.648 0.2 1 244 148 70 ASN H H 9.106 0.02 1 245 148 70 ASN CA C 50.186 0.2 1 246 148 70 ASN CB C 40.192 0.2 1 247 148 70 ASN N N 114.753 0.2 1 248 149 71 PRO CA C 66.143 0.2 1 249 149 71 PRO CB C 32.287 0.2 1 250 150 72 ASP H H 8.653 0.02 1 251 150 72 ASP CA C 57.512 0.2 1 252 150 72 ASP CB C 40.248 0.2 1 253 150 72 ASP N N 117.41 0.2 1 254 151 73 ASP H H 7.6 0.02 1 255 151 73 ASP CA C 57.032 0.2 1 256 151 73 ASP CB C 40.427 0.2 1 257 151 73 ASP N N 119.776 0.2 1 258 152 74 ALA H H 7.68 0.02 1 259 152 74 ALA CA C 56.397 0.2 1 260 152 74 ALA CB C 18.042 0.2 1 261 152 74 ALA N N 122.543 0.2 1 262 153 75 ASP H H 7.87 0.02 1 263 153 75 ASP CA C 58.456 0.2 1 264 153 75 ASP CB C 41.312 0.2 1 265 153 75 ASP N N 118.043 0.2 1 266 154 76 ARG H H 8.019 0.02 1 267 154 76 ARG CA C 59.972 0.2 1 268 154 76 ARG CB C 30.877 0.2 1 269 154 76 ARG N N 120.197 0.2 1 270 155 77 ALA H H 8.88 0.02 1 271 155 77 ALA CA C 55.514 0.2 1 272 155 77 ALA CB C 18.882 0.2 1 273 155 77 ALA N N 121.247 0.2 1 274 156 78 ARG H H 8.162 0.02 1 275 156 78 ARG CA C 61.251 0.2 1 276 156 78 ARG CB C 30.52 0.2 1 277 156 78 ARG N N 117.137 0.2 1 278 157 79 ALA H H 7.57 0.02 1 279 157 79 ALA CA C 55.237 0.2 1 280 157 79 ALA CB C 18.78 0.2 1 281 157 79 ALA N N 119.304 0.2 1 282 158 80 GLU H H 8.335 0.02 1 283 158 80 GLU CA C 58.801 0.2 1 284 158 80 GLU CB C 30.273 0.2 1 285 158 80 GLU N N 116.302 0.2 1 286 159 81 PHE H H 7.974 0.02 1 287 159 81 PHE CA C 57.363 0.2 1 288 159 81 PHE CB C 41.388 0.2 1 289 159 81 PHE N N 111.235 0.2 1 290 160 82 ASN H H 8.264 0.02 1 291 160 82 ASN CA C 57.39 0.2 1 292 160 82 ASN CB C 39.37 0.2 1 293 160 82 ASN N N 118.34 0.2 1 294 161 83 GLY H H 9.164 0.02 1 295 161 83 GLY CA C 46.234 0.2 1 296 161 83 GLY N N 116.269 0.2 1 297 162 84 THR H H 7.723 0.02 1 298 162 84 THR CA C 62.569 0.2 1 299 162 84 THR CB C 70.985 0.2 1 300 162 84 THR N N 114.05 0.2 1 301 163 85 THR H H 8.336 0.02 1 302 163 85 THR CA C 62.454 0.2 1 303 163 85 THR CB C 69.803 0.2 1 304 163 85 THR N N 116.302 0.2 1 305 164 86 ILE H H 9.014 0.02 1 306 164 86 ILE CA C 60.611 0.2 1 307 164 86 ILE CB C 40.594 0.2 1 308 164 86 ILE N N 127.045 0.2 1 309 165 87 GLU H H 9.338 0.02 1 310 165 87 GLU CA C 57.314 0.2 1 311 165 87 GLU CB C 27.665 0.2 1 312 165 87 GLU N N 125.395 0.2 1 313 166 88 GLY H H 8.22 0.02 1 314 166 88 GLY CA C 45.876 0.2 1 315 166 88 GLY N N 102.088 0.2 1 316 167 89 ARG H H 7.884 0.02 1 317 167 89 ARG CA C 55.486 0.2 1 318 167 89 ARG CB C 32.279 0.2 1 319 167 89 ARG N N 120.364 0.2 1 320 168 90 ARG H H 8.48 0.02 1 321 168 90 ARG CA C 56.388 0.2 1 322 168 90 ARG CB C 30.065 0.2 1 323 168 90 ARG N N 123.299 0.2 1 324 169 91 VAL H H 9.05 0.02 1 325 169 91 VAL CA C 62.365 0.2 1 326 169 91 VAL CB C 33.566 0.2 1 327 169 91 VAL N N 129.824 0.2 1 328 170 92 GLU H H 7.919 0.02 1 329 170 92 GLU CA C 54.32 0.2 1 330 170 92 GLU CB C 32.883 0.2 1 331 170 92 GLU N N 122.842 0.2 1 332 171 93 VAL H H 8.895 0.02 1 333 171 93 VAL CA C 61.657 0.2 1 334 171 93 VAL CB C 34.496 0.2 1 335 171 93 VAL N N 122.811 0.2 1 336 172 94 ASN H H 9.477 0.02 1 337 172 94 ASN CA C 51.825 0.2 1 338 172 94 ASN CB C 44.974 0.2 1 339 172 94 ASN N N 124.677 0.2 1 340 173 95 LEU H H 9.06 0.02 1 341 173 95 LEU CA C 56.982 0.2 1 342 173 95 LEU CB C 41.881 0.2 1 343 173 95 LEU N N 120.318 0.2 1 344 174 96 ALA H H 8.617 0.02 1 345 174 96 ALA CA C 52.409 0.2 1 346 174 96 ALA CB C 19.916 0.2 1 347 174 96 ALA N N 125.272 0.2 1 348 175 97 THR H H 8.639 0.02 1 349 175 97 THR CA C 61.347 0.2 1 350 175 97 THR CB C 70.326 0.2 1 351 175 97 THR N N 116.483 0.2 1 352 176 98 GLN H H 8.765 0.02 1 353 176 98 GLN CA C 56.645 0.2 1 354 176 98 GLN CB C 29.913 0.2 1 355 176 98 GLN N N 123.968 0.2 1 356 177 99 ARG H H 8.028 0.02 1 357 177 99 ARG CA C 58.029 0.2 1 358 177 99 ARG CB C 31.809 0.2 1 359 177 99 ARG N N 128.024 0.2 1 stop_ save_