data_19680 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; ASD-1 RRM domain ; _BMRB_accession_number 19680 _BMRB_flat_file_name bmr19680.str _Entry_type original _Submission_date 2013-12-13 _Accession_date 2013-12-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'RRM domain from ASD-1' 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" 171 "13C chemical shifts" 277 "15N chemical shifts" 86 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-08-29 original author . 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 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ASD-1 $ASD-1 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 'all free' 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 19686 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_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ASD-1 nematode 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' . Escherichia coli BL21 pLysY pETHis1a 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] H2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ASD-1 3.28 mM '[U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 300 mM 'natural abundance' D2O 10 % [U-2H] H2O 10 % '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_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details '5 mm CPTXI 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_2 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _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 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' '3D HNCO' '3D HN(CA)CO' '3D HNHA' stop_ loop_ _Sample_label $sample_2 $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 52.87 0.2 1 2 80 2 ALA CB C 19.6 0.2 1 3 81 3 MET H H 8.53 0.02 1 4 81 3 MET HA H 4.56 0.02 1 5 81 3 MET C C 176.32 0.2 1 6 81 3 MET CA C 55.55 0.2 1 7 81 3 MET CB C 33.21 0.2 1 8 81 3 MET N N 119.53 0.2 1 9 82 4 GLY H H 8.17 0.02 1 10 82 4 GLY HA2 H 3.74 0.02 1 11 82 4 GLY HA3 H 3.74 0.02 1 12 82 4 GLY C C 171.74 0.2 1 13 82 4 GLY CA C 44.43 0.2 1 14 82 4 GLY N N 109.8 0.2 1 15 83 5 PRO C C 177.01 0.2 1 16 83 5 PRO CA C 63.15 0.2 1 17 83 5 PRO CB C 32.54 0.2 1 18 84 6 VAL H H 8.24 0.02 1 19 84 6 VAL HA H 4.6 0.02 1 20 84 6 VAL C C 175.65 0.2 1 21 84 6 VAL CA C 62.11 0.2 1 22 84 6 VAL CB C 33.23 0.2 1 23 84 6 VAL N N 120.5 0.2 1 24 85 7 ALA H H 8.48 0.02 1 25 85 7 ALA HA H 4.63 0.02 1 26 85 7 ALA C C 175.64 0.2 1 27 85 7 ALA CA C 50.46 0.2 1 28 85 7 ALA CB C 18.53 0.2 1 29 85 7 ALA N N 129.39 0.2 1 30 86 8 PRO C C 176.9 0.2 1 31 86 8 PRO CA C 63.46 0.2 1 32 86 8 PRO CB C 32.15 0.2 1 33 87 9 ASN H H 8.48 0.02 1 34 87 9 ASN HA H 4.67 0.02 1 35 87 9 ASN C C 175 0.2 1 36 87 9 ASN CA C 53.47 0.2 1 37 87 9 ASN CB C 39.16 0.2 1 38 87 9 ASN N N 117.8 0.2 1 39 88 10 ASP H H 8.25 0.02 1 40 88 10 ASP HA H 4.09 0.02 1 41 88 10 ASP C C 176.4 0.2 1 42 88 10 ASP CA C 54.62 0.2 1 43 88 10 ASP CB C 41.33 0.2 1 44 88 10 ASP N N 120.55 0.2 1 45 89 11 ARG H H 8.29 0.02 1 46 89 11 ARG HA H 4.35 0.02 1 47 89 11 ARG C C 176.69 0.2 1 48 89 11 ARG CA C 56.46 0.2 1 49 89 11 ARG CB C 30.6 0.2 1 50 89 11 ARG N N 120.99 0.2 1 51 90 12 SER H H 8.44 0.02 1 52 90 12 SER HA H 4.49 0.02 1 53 90 12 SER C C 175.12 0.2 1 54 90 12 SER CA C 59.12 0.2 1 55 90 12 SER CB C 63.9 0.2 1 56 90 12 SER N N 116.6 0.2 1 57 91 13 THR H H 8.2 0.02 1 58 91 13 THR HA H 4.44 0.02 1 59 91 13 THR C C 175.03 0.2 1 60 91 13 THR CA C 62.0 0.2 1 61 91 13 THR CB C 69.78 0.2 1 62 91 13 THR N N 115.01 0.2 1 63 94 16 SER C C 174.75 0.2 1 64 94 16 SER CA C 58.67 0.2 1 65 94 16 SER CB C 64.04 0.2 1 66 95 17 SER H H 8.43 0.02 1 67 95 17 SER C C 174.91 0.2 1 68 95 17 SER CA C 58.72 0.2 1 69 95 17 SER CB C 63.97 0.2 1 70 95 17 SER N N 117.71 0.2 1 71 96 18 THR H H 8.24 0.02 1 72 96 18 THR HA H 4.43 0.02 1 73 96 18 THR C C 174.76 0.2 1 74 96 18 THR CA C 62.18 0.2 1 75 96 18 THR CB C 69.69 0.2 1 76 96 18 THR N N 114.87 0.2 1 77 97 19 ASP H H 8.28 0.02 1 78 97 19 ASP HA H 4.72 0.02 1 79 97 19 ASP C C 176.12 0.2 1 80 97 19 ASP CA C 54.57 0.2 1 81 97 19 ASP CB C 41.67 0.2 1 82 97 19 ASP N N 122.2 0.2 1 83 98 20 GLY H H 8.12 0.02 1 84 98 20 GLY HA2 H 4.07 0.02 1 85 98 20 GLY HA3 H 4.07 0.02 1 86 98 20 GLY C C 171.24 0.2 1 87 98 20 GLY CA C 45.16 0.2 1 88 98 20 GLY N N 108.7 0.2 1 89 99 21 PRO C C 176.66 0.2 1 90 99 21 PRO CA C 63.42 0.2 1 91 99 21 PRO CB C 32.28 0.2 1 92 100 22 ARG H H 8.32 0.02 1 93 100 22 ARG HA H 4.45 0.02 1 94 100 22 ARG C C 173.89 0.2 1 95 100 22 ARG CA C 55.51 0.2 1 96 100 22 ARG CB C 32.26 0.2 1 97 100 22 ARG N N 117.85 0.2 1 98 101 23 ARG H H 8.05 0.02 1 99 101 23 ARG HA H 5.05 0.02 1 100 101 23 ARG C C 174.68 0.2 1 101 101 23 ARG CA C 55.75 0.2 1 102 101 23 ARG CB C 32.78 0.2 1 103 101 23 ARG N N 122.58 0.2 1 104 102 24 LEU H H 9.56 0.02 1 105 102 24 LEU HA H 5.1 0.02 1 106 102 24 LEU C C 175.58 0.2 1 107 102 24 LEU CA C 53.56 0.2 1 108 102 24 LEU CB C 44.33 0.2 1 109 102 24 LEU N N 125.56 0.2 1 110 103 25 HIS H H 9.49 0.02 1 111 103 25 HIS HA H 4.93 0.02 1 112 103 25 HIS C C 174.09 0.2 1 113 103 25 HIS CA C 54.97 0.2 1 114 103 25 HIS CB C 33.34 0.2 1 115 103 25 HIS N N 123.38 0.2 1 116 104 26 VAL H H 8.82 0.02 1 117 104 26 VAL HA H 4.99 0.02 1 118 104 26 VAL C C 173.82 0.2 1 119 104 26 VAL CA C 60.37 0.2 1 120 104 26 VAL CB C 33.52 0.2 1 121 104 26 VAL N N 128.42 0.2 1 122 105 27 SER H H 9.2 0.02 1 123 105 27 SER HA H 4.97 0.02 1 124 105 27 SER CA C 57.0 0.2 1 125 105 27 SER CB C 66.05 0.2 1 126 105 27 SER N N 119.62 0.2 1 127 106 28 ASN H H 8.32 0.02 1 128 106 28 ASN HA H 4.44 0.02 1 129 106 28 ASN C C 174.65 0.2 1 130 106 28 ASN CA C 54.09 0.2 1 131 106 28 ASN CB C 37.54 0.2 1 132 106 28 ASN N N 117.95 0.2 1 133 107 29 ILE H H 7.21 0.02 1 134 107 29 ILE HA H 3.93 0.02 1 135 107 29 ILE C C 173.31 0.2 1 136 107 29 ILE CA C 59.3 0.2 1 137 107 29 ILE CB C 37.49 0.2 1 138 107 29 ILE N N 109.26 0.2 1 139 108 30 PRO C C 178.06 0.2 1 140 108 30 PRO CA C 63.26 0.2 1 141 108 30 PRO CB C 32.08 0.2 1 142 109 31 PHE H H 8.41 0.02 1 143 109 31 PHE C C 176.45 0.2 1 144 109 31 PHE CA C 60.93 0.2 1 145 109 31 PHE CB C 38.76 0.2 1 146 109 31 PHE N N 125.23 0.2 1 147 110 32 LYS H H 8.12 0.02 1 148 110 32 LYS C C 177.47 0.2 1 149 110 32 LYS CA C 56.81 0.2 1 150 110 32 LYS CB C 32.52 0.2 1 151 110 32 LYS N N 113.4 0.2 1 152 111 33 TYR H H 7.68 0.02 1 153 111 33 TYR HA H 4.46 0.02 1 154 111 33 TYR C C 176.96 0.2 1 155 111 33 TYR CA C 58.67 0.2 1 156 111 33 TYR CB C 37.79 0.2 1 157 111 33 TYR N N 120.93 0.2 1 158 112 34 ARG H H 9.63 0.02 1 159 112 34 ARG HA H 4.95 0.02 1 160 112 34 ARG C C 176.45 0.2 1 161 112 34 ARG CA C 53.11 0.2 1 162 112 34 ARG CB C 33.28 0.2 1 163 112 34 ARG N N 123.23 0.2 1 164 113 35 GLU H H 10.54 0.02 1 165 113 35 GLU C C 176.19 0.2 1 166 113 35 GLU CA C 63.65 0.2 1 167 113 35 GLU CB C 26.31 0.2 1 168 113 35 GLU N N 122.75 0.2 1 169 114 36 PRO C C 179.14 0.2 1 170 114 36 PRO CA C 66.11 0.2 1 171 114 36 PRO CB C 31.27 0.2 1 172 115 37 ASP H H 7.2 0.02 1 173 115 37 ASP HA H 4.13 0.02 1 174 115 37 ASP C C 178.58 0.2 1 175 115 37 ASP CA C 56.93 0.2 1 176 115 37 ASP CB C 40.71 0.2 1 177 115 37 ASP N N 115.45 0.2 1 178 116 38 LEU H H 7.47 0.02 1 179 116 38 LEU HA H 4.28 0.02 1 180 116 38 LEU C C 178.37 0.2 1 181 116 38 LEU CA C 57.24 0.2 1 182 116 38 LEU CB C 42.98 0.2 1 183 116 38 LEU N N 119.38 0.2 1 184 117 39 THR H H 8.55 0.02 1 185 117 39 THR HA H 3.72 0.02 1 186 117 39 THR C C 176.93 0.2 1 187 117 39 THR CA C 68.42 0.2 1 188 117 39 THR N N 116.4 0.2 1 189 118 40 ALA H H 7.68 0.02 1 190 118 40 ALA HA H 4.03 0.02 1 191 118 40 ALA C C 179.7 0.2 1 192 118 40 ALA CA C 55.04 0.2 1 193 118 40 ALA CB C 18.27 0.2 1 194 118 40 ALA N N 120.3 0.2 1 195 119 41 MET H H 7.25 0.02 1 196 119 41 MET HA H 4 0.02 1 197 119 41 MET C C 176.81 0.2 1 198 119 41 MET CA C 59.02 0.2 1 199 119 41 MET CB C 33.03 0.2 1 200 119 41 MET N N 115.33 0.2 1 201 120 42 PHE H H 7.88 0.02 1 202 120 42 PHE HA H 4.18 0.02 1 203 120 42 PHE C C 178.19 0.2 1 204 120 42 PHE CA C 62.68 0.2 1 205 120 42 PHE CB C 39.7 0.2 1 206 120 42 PHE N N 114.75 0.2 1 207 121 43 GLU H H 8.79 0.02 1 208 121 43 GLU HA H 5.02 0.02 1 209 121 43 GLU C C 178.18 0.2 1 210 121 43 GLU CA C 57.97 0.2 1 211 121 43 GLU CB C 29.16 0.2 1 212 121 43 GLU N N 120.64 0.2 1 213 122 44 LYS H H 7.12 0.02 1 214 122 44 LYS HA H 4.08 0.02 1 215 122 44 LYS C C 177.98 0.2 1 216 122 44 LYS CA C 58.92 0.2 1 217 122 44 LYS CB C 32.81 0.2 1 218 122 44 LYS N N 117.05 0.2 1 219 123 45 VAL H H 7.97 0.02 1 220 123 45 VAL HA H 3.95 0.02 1 221 123 45 VAL C C 175.61 0.2 1 222 123 45 VAL CA C 64.4 0.2 1 223 123 45 VAL CB C 32.75 0.2 1 224 123 45 VAL N N 117.73 0.2 1 225 124 46 GLY H H 7.81 0.02 1 226 124 46 GLY HA2 H 4.08 0.02 1 227 124 46 GLY HA3 H 4.08 0.02 1 228 124 46 GLY C C 168.98 0.2 1 229 124 46 GLY CA C 45.6 0.2 1 230 124 46 GLY N N 106.49 0.2 1 231 125 47 PRO C C 177.07 0.2 1 232 125 47 PRO CA C 63.73 0.2 1 233 125 47 PRO CB C 31.95 0.2 1 234 126 48 VAL H H 9.04 0.02 1 235 126 48 VAL HA H 4.29 0.02 1 236 126 48 VAL C C 176.66 0.2 1 237 126 48 VAL CA C 62.07 0.2 1 238 126 48 VAL CB C 34.86 0.2 1 239 126 48 VAL N N 125.64 0.2 1 240 127 49 VAL H H 8.97 0.02 1 241 127 49 VAL HA H 4.11 0.02 1 242 127 49 VAL C C 175.41 0.2 1 243 127 49 VAL CA C 63.5 0.2 1 244 127 49 VAL CB C 33.21 0.2 1 245 127 49 VAL N N 124.16 0.2 1 246 128 50 ASP H H 7.55 0.02 1 247 128 50 ASP HA H 4.81 0.02 1 248 128 50 ASP C C 173.38 0.2 1 249 128 50 ASP CA C 54.34 0.2 1 250 128 50 ASP CB C 44.39 0.2 1 251 128 50 ASP N N 116.53 0.2 1 252 129 51 VAL H H 8.13 0.02 1 253 129 51 VAL HA H 4.9 0.02 1 254 129 51 VAL C C 173.51 0.2 1 255 129 51 VAL CA C 60.94 0.2 1 256 129 51 VAL CB C 36.22 0.2 1 257 129 51 VAL N N 117.8 0.2 1 258 130 52 GLU H H 8.82 0.02 1 259 130 52 GLU HA H 4.79 0.02 1 260 130 52 GLU C C 174.59 0.2 1 261 130 52 GLU CA C 55.35 0.2 1 262 130 52 GLU CB C 33.95 0.2 1 263 130 52 GLU N N 124.08 0.2 1 264 131 53 ILE H H 8.97 0.02 1 265 131 53 ILE HA H 4.22 0.02 1 266 131 53 ILE C C 173.99 0.2 1 267 131 53 ILE CA C 60.54 0.2 1 268 131 53 ILE CB C 39.63 0.2 1 269 131 53 ILE N N 126.01 0.2 1 270 132 54 ILE H H 7.83 0.02 1 271 132 54 ILE C C 174.18 0.2 1 272 132 54 ILE CA C 59.4 0.2 1 273 132 54 ILE CB C 36.05 0.2 1 274 132 54 ILE N N 127.07 0.2 1 275 133 55 PHE H H 8.6 0.02 1 276 133 55 PHE C C 176.54 0.2 1 277 133 55 PHE CA C 57.2 0.2 1 278 133 55 PHE CB C 42.7 0.2 1 279 133 55 PHE N N 124.83 0.2 1 280 134 56 ASN H H 8.92 0.02 1 281 134 56 ASN HA H 4.93 0.02 1 282 134 56 ASN C C 176.14 0.2 1 283 134 56 ASN CA C 52.19 0.2 1 284 134 56 ASN CB C 39.8 0.2 1 285 134 56 ASN N N 119.33 0.2 1 286 135 57 GLU H H 9.14 0.02 1 287 135 57 GLU C C 177.18 0.2 1 288 135 57 GLU CA C 58.88 0.2 1 289 135 57 GLU CB C 29.41 0.2 1 290 135 57 GLU N N 119.11 0.2 1 291 136 58 ARG H H 8.07 0.02 1 292 136 58 ARG HA H 4.33 0.02 1 293 136 58 ARG C C 176.28 0.2 1 294 136 58 ARG CA C 56.56 0.2 1 295 136 58 ARG CB C 30.57 0.2 1 296 136 58 ARG N N 117.56 0.2 1 297 137 59 GLY H H 7.89 0.02 1 298 137 59 GLY HA2 H 4.36 0.02 1 299 137 59 GLY HA3 H 4.36 0.02 1 300 137 59 GLY C C 172.69 0.2 1 301 137 59 GLY CA C 44.84 0.2 1 302 137 59 GLY N N 107.91 0.2 1 303 138 60 SER H H 8.33 0.02 1 304 138 60 SER HA H 4.21 0.02 1 305 138 60 SER C C 176.1 0.2 1 306 138 60 SER CA C 58.27 0.2 1 307 138 60 SER CB C 64.6 0.2 1 308 138 60 SER N N 114.97 0.2 1 309 139 61 LYS H H 8.95 0.02 1 310 139 61 LYS HA H 4.21 0.02 1 311 139 61 LYS C C 177.42 0.2 1 312 139 61 LYS CA C 56.81 0.2 1 313 139 61 LYS CB C 32.9 0.2 1 314 139 61 LYS N N 123.14 0.2 1 315 140 62 GLY H H 9.27 0.02 1 316 140 62 GLY C C 172.52 0.2 1 317 140 62 GLY CA C 45.93 0.2 1 318 140 62 GLY N N 108.6 0.2 1 319 141 63 PHE C C 172.27 0.2 1 320 141 63 PHE CA C 55.29 0.2 1 321 141 63 PHE CB C 41.83 0.2 1 322 142 64 GLY H H 8.78 0.02 1 323 142 64 GLY HA2 H 4.17 0.02 1 324 142 64 GLY HA3 H 4.17 0.02 1 325 142 64 GLY C C 170.19 0.2 1 326 142 64 GLY CA C 45.56 0.2 1 327 142 64 GLY N N 105.2 0.2 1 328 143 65 PHE H H 9.23 0.02 1 329 143 65 PHE HA H 5.94 0.02 1 330 143 65 PHE C C 175.52 0.2 1 331 143 65 PHE CA C 56.13 0.2 1 332 143 65 PHE CB C 43.77 0.2 1 333 143 65 PHE N N 116.5 0.2 1 334 144 66 VAL H H 8.95 0.02 1 335 144 66 VAL HA H 4.52 0.02 1 336 144 66 VAL C C 174.62 0.2 1 337 144 66 VAL CA C 61.32 0.2 1 338 144 66 VAL CB C 35.97 0.2 1 339 144 66 VAL N N 121.97 0.2 1 340 145 67 THR H H 9.16 0.02 1 341 145 67 THR HA H 4.88 0.02 1 342 145 67 THR C C 174.34 0.2 1 343 145 67 THR CA C 62.32 0.2 1 344 145 67 THR CB C 68.9 0.2 1 345 145 67 THR N N 124.36 0.2 1 346 146 68 MET H H 8.77 0.02 1 347 146 68 MET HA H 5.09 0.02 1 348 146 68 MET C C 175.61 0.2 1 349 146 68 MET CA C 53.24 0.2 1 350 146 68 MET CB C 31.27 0.2 1 351 146 68 MET N N 125.83 0.2 1 352 147 69 GLN H H 8.36 0.02 1 353 147 69 GLN HA H 4.09 0.02 1 354 147 69 GLN C C 175.64 0.2 1 355 147 69 GLN CA C 59.42 0.2 1 356 147 69 GLN CB C 30.48 0.2 1 357 147 69 GLN N N 120.34 0.2 1 358 148 70 ASN H H 9.04 0.02 1 359 148 70 ASN HA H 5.34 0.02 1 360 148 70 ASN C C 174.59 0.2 1 361 148 70 ASN CA C 50.05 0.2 1 362 148 70 ASN CB C 39.93 0.2 1 363 148 70 ASN N N 114.85 0.2 1 364 149 71 PRO C C 178.58 0.2 1 365 149 71 PRO CA C 65.74 0.2 1 366 149 71 PRO CB C 32.22 0.2 1 367 150 72 ASP H H 8.67 0.02 1 368 150 72 ASP HA H 4.48 0.02 1 369 150 72 ASP C C 179.1 0.2 1 370 150 72 ASP CA C 57.03 0.2 1 371 150 72 ASP CB C 39.96 0.2 1 372 150 72 ASP N N 117.75 0.2 1 373 151 73 ASP H H 7.69 0.02 1 374 151 73 ASP HA H 4.42 0.02 1 375 151 73 ASP C C 178.27 0.2 1 376 151 73 ASP CA C 56.81 0.2 1 377 151 73 ASP CB C 40.04 0.2 1 378 151 73 ASP N N 119.83 0.2 1 379 152 74 ALA H H 7.69 0.02 1 380 152 74 ALA HA H 4.19 0.02 1 381 152 74 ALA C C 178.59 0.2 1 382 152 74 ALA CA C 56.21 0.2 1 383 152 74 ALA CB C 17.72 0.2 1 384 152 74 ALA N N 122.64 0.2 1 385 153 75 ASP H H 7.8 0.02 1 386 153 75 ASP HA H 4.42 0.02 1 387 153 75 ASP C C 179.33 0.2 1 388 153 75 ASP CA C 58.09 0.2 1 389 153 75 ASP CB C 41.2 0.2 1 390 153 75 ASP N N 117.67 0.2 1 391 154 76 ARG H H 7.99 0.02 1 392 154 76 ARG HA H 4.13 0.02 1 393 154 76 ARG C C 178.53 0.2 1 394 154 76 ARG CA C 59.71 0.2 1 395 154 76 ARG CB C 30.57 0.2 1 396 154 76 ARG N N 119.8 0.2 1 397 155 77 ALA H H 8.87 0.02 1 398 155 77 ALA HA H 3.84 0.02 1 399 155 77 ALA C C 179.07 0.2 1 400 155 77 ALA CA C 55.25 0.2 1 401 155 77 ALA CB C 18.6 0.2 1 402 155 77 ALA N N 121.54 0.2 1 403 156 78 ARG H H 8.17 0.02 1 404 156 78 ARG HA H 3.84 0.02 1 405 156 78 ARG C C 177.49 0.2 1 406 156 78 ARG CA C 60.85 0.2 1 407 156 78 ARG CB C 29.57 0.2 1 408 156 78 ARG N N 117.75 0.2 1 409 157 79 ALA H H 7.63 0.02 1 410 157 79 ALA HA H 4.07 0.02 1 411 157 79 ALA C C 180.06 0.2 1 412 157 79 ALA CA C 55.0 0.2 1 413 157 79 ALA CB C 18.5 0.2 1 414 157 79 ALA N N 119.59 0.2 1 415 158 80 GLU H H 8.24 0.02 1 416 158 80 GLU HA H 3.84 0.02 1 417 158 80 GLU C C 178.41 0.2 1 418 158 80 GLU CA C 58.53 0.2 1 419 158 80 GLU CB C 30.03 0.2 1 420 158 80 GLU N N 116.38 0.2 1 421 159 81 PHE H H 7.91 0.02 1 422 159 81 PHE HA H 4.9 0.02 1 423 159 81 PHE C C 177.92 0.2 1 424 159 81 PHE CA C 57.36 0.2 1 425 159 81 PHE CB C 41.44 0.2 1 426 159 81 PHE N N 111.15 0.2 1 427 160 82 ASN H H 8.5 0.02 1 428 160 82 ASN HA H 4.52 0.02 1 429 160 82 ASN C C 176.41 0.2 1 430 160 82 ASN CA C 57.34 0.2 1 431 160 82 ASN CB C 39.02 0.2 1 432 160 82 ASN N N 118.58 0.2 1 433 161 83 GLY H H 9.27 0.02 1 434 161 83 GLY HA2 H 4.19 0.02 1 435 161 83 GLY HA3 H 4.19 0.02 1 436 161 83 GLY C C 174.31 0.2 1 437 161 83 GLY CA C 45.96 0.2 1 438 161 83 GLY N N 116.65 0.2 1 439 162 84 THR H H 7.77 0.02 1 440 162 84 THR HA H 4.43 0.02 1 441 162 84 THR C C 172.54 0.2 1 442 162 84 THR CA C 62.17 0.2 1 443 162 84 THR CB C 70.55 0.2 1 444 162 84 THR N N 114.45 0.2 1 445 163 85 THR H H 8.34 0.02 1 446 163 85 THR HA H 5.12 0.02 1 447 163 85 THR C C 174.7 0.2 1 448 163 85 THR CA C 61.92 0.2 1 449 163 85 THR CB C 69.77 0.2 1 450 163 85 THR N N 116.39 0.2 1 451 164 86 ILE H H 8.97 0.02 1 452 164 86 ILE HA H 4.2 0.02 1 453 164 86 ILE C C 175.22 0.2 1 454 164 86 ILE CA C 60.74 0.2 1 455 164 86 ILE CB C 40.52 0.2 1 456 164 86 ILE N N 126.54 0.2 1 457 165 87 GLU H H 9.39 0.02 1 458 165 87 GLU HA H 3.83 0.02 1 459 165 87 GLU C C 176.66 0.2 1 460 165 87 GLU CA C 57.08 0.2 1 461 165 87 GLU CB C 27.55 0.2 1 462 165 87 GLU N N 125.78 0.2 1 463 166 88 GLY H H 8.32 0.02 1 464 166 88 GLY HA2 H 3.5 0.02 1 465 166 88 GLY HA3 H 3.5 0.02 1 466 166 88 GLY C C 173.86 0.2 1 467 166 88 GLY CA C 45.56 0.2 1 468 166 88 GLY N N 102.39 0.2 1 469 167 89 ARG H H 7.91 0.02 1 470 167 89 ARG HA H 4.53 0.02 1 471 167 89 ARG C C 174.16 0.2 1 472 167 89 ARG CA C 54.82 0.2 1 473 167 89 ARG CB C 32.26 0.2 1 474 167 89 ARG N N 120.84 0.2 1 475 168 90 ARG H H 8.55 0.02 1 476 168 90 ARG HA H 4.54 0.02 1 477 168 90 ARG C C 175.83 0.2 1 478 168 90 ARG CA C 55.99 0.2 1 479 168 90 ARG CB C 30.04 0.2 1 480 168 90 ARG N N 123.28 0.2 1 481 169 91 VAL H H 8.99 0.02 1 482 169 91 VAL HA H 4.42 0.02 1 483 169 91 VAL C C 175.13 0.2 1 484 169 91 VAL CA C 61.96 0.2 1 485 169 91 VAL CB C 33.25 0.2 1 486 169 91 VAL N N 129.1 0.2 1 487 170 92 GLU H H 8.03 0.02 1 488 170 92 GLU HA H 5 0.02 1 489 170 92 GLU C C 175.71 0.2 1 490 170 92 GLU CA C 54.59 0.2 1 491 170 92 GLU CB C 32.15 0.2 1 492 170 92 GLU N N 123.43 0.2 1 493 171 93 VAL H H 9.03 0.02 1 494 171 93 VAL HA H 5.11 0.02 1 495 171 93 VAL C C 173.65 0.2 1 496 171 93 VAL CA C 61.28 0.2 1 497 171 93 VAL CB C 34.98 0.2 1 498 171 93 VAL N N 123.31 0.2 1 499 172 94 ASN H H 8.99 0.02 1 500 172 94 ASN HA H 5.12 0.02 1 501 172 94 ASN C C 174.55 0.2 1 502 172 94 ASN CA C 51.83 0.2 1 503 172 94 ASN CB C 43.64 0.2 1 504 172 94 ASN N N 123.36 0.2 1 505 173 95 LEU H H 9.12 0.02 1 506 173 95 LEU HA H 4.53 0.02 1 507 173 95 LEU C C 177.16 0.2 1 508 173 95 LEU CA C 56.36 0.2 1 509 173 95 LEU CB C 42.24 0.2 1 510 173 95 LEU N N 122.41 0.2 1 511 174 96 ALA H H 8.75 0.02 1 512 174 96 ALA HA H 4.54 0.02 1 513 174 96 ALA C C 177.2 0.2 1 514 174 96 ALA CA C 52.36 0.2 1 515 174 96 ALA CB C 19.83 0.2 1 516 174 96 ALA N N 126.41 0.2 1 517 175 97 THR H H 8.26 0.02 1 518 175 97 THR HA H 4.32 0.02 1 519 175 97 THR C C 174.4 0.2 1 520 175 97 THR CA C 62.21 0.2 1 521 175 97 THR CB C 69.82 0.2 1 522 175 97 THR N N 113.64 0.2 1 523 176 98 GLN H H 8.42 0.02 1 524 176 98 GLN HA H 4.33 0.02 1 525 176 98 GLN C C 174.89 0.2 1 526 176 98 GLN CA C 56.22 0.2 1 527 176 98 GLN CB C 29.86 0.2 1 528 176 98 GLN N N 122.85 0.2 1 529 177 99 ARG H H 8.03 0.02 1 530 177 99 ARG HA H 4.1 0.02 1 531 177 99 ARG C C 180.93 0.2 1 532 177 99 ARG CA C 57.76 0.2 1 533 177 99 ARG CB C 31.61 0.2 1 534 177 99 ARG N N 127.75 0.2 1 stop_ save_