data_26884 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment of Rhea (talin) F0. ; _BMRB_accession_number 26884 _BMRB_flat_file_name bmr26884.str _Entry_type original _Submission_date 2016-09-01 _Accession_date 2016-09-01 _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 Castle Will . . 2 Tanentzapf Guy . . 3 Goult Ben T. . 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 2019-04-25 update BMRB 'update entry citation' 2018-11-26 original author 'original release' stop_ _Original_release_date 2016-09-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Direct binding of Talin to Rap1 is required for cell-ECM adhesion in Drosophila ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30446511 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Camp D . . 2 Haage A . . 3 Solianova V . . 4 Castle W M. . 5 Xu Q A. . 6 Lostchuck E . . 7 Goult B T. . 8 Tanentzapf G . . stop_ _Journal_abbreviation 'J. Cell. Sci.' _Journal_name_full 'Journal of cell science' _Journal_volume 131 _Journal_issue 24 _Journal_ISSN 1477-9137 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 225144 _Page_last 225144 _Year 2018 _Details . loop_ _Keyword adhesion drosophila integrin rap1 talin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'rhea F0' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'rhea F0' $Rhea stop_ _System_molecular_weight 10243.5 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'adhesion protein' stop_ _Database_query_date . _Details 'rhea F0 domain' save_ ######################## # Monomeric polymers # ######################## save_Rhea _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rhea _Molecular_mass 10243.5 _Mol_thiol_state 'all free' loop_ _Biological_function 'adhesion protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; SMMSTLSLRIQLEGGRVTKT IQFQPNTTVFDACKVIRDKF AEAVQGQPSEYGLFISDEQN QQGVWLEPGRTLGYYILHNQ DTLEYRRKT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 SER 2 2 MET 3 3 MET 4 4 SER 5 5 THR 6 6 LEU 7 7 SER 8 8 LEU 9 9 ARG 10 10 ILE 11 11 GLN 12 12 LEU 13 13 GLU 14 14 GLY 15 15 GLY 16 16 ARG 17 17 VAL 18 18 THR 19 19 LYS 20 20 THR 21 21 ILE 22 22 GLN 23 23 PHE 24 24 GLN 25 25 PRO 26 26 ASN 27 27 THR 28 28 THR 29 29 VAL 30 30 PHE 31 31 ASP 32 32 ALA 33 33 CYS 34 34 LYS 35 35 VAL 36 36 ILE 37 37 ARG 38 38 ASP 39 39 LYS 40 40 PHE 41 41 ALA 42 42 GLU 43 43 ALA 44 44 VAL 45 45 GLN 46 46 GLY 47 47 GLN 48 48 PRO 49 49 SER 50 50 GLU 51 51 TYR 52 52 GLY 53 53 LEU 54 54 PHE 55 55 ILE 56 56 SER 57 57 ASP 58 58 GLU 59 59 GLN 60 60 ASN 61 61 GLN 62 62 GLN 63 63 GLY 64 64 VAL 65 65 TRP 66 66 LEU 67 67 GLU 68 68 PRO 69 69 GLY 70 70 ARG 71 71 THR 72 72 LEU 73 73 GLY 74 74 TYR 75 75 TYR 76 76 ILE 77 77 LEU 78 78 HIS 79 79 ASN 80 80 GLN 81 81 ASP 82 82 THR 83 83 LEU 84 84 GLU 85 85 TYR 86 86 ARG 87 87 ARG 88 88 LYS 89 89 THR 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 $Rhea 'fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 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 $Rhea 'recombinant technology' . Escherichia coli BL21(DE3) pLEICS-01 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_labelled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rhea 100 uM '[U-100% 15N]' D2O 5 % '[U-100% 2H]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' stop_ save_ save_double_labelled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rhea 500 uM '[U-100% 13C; U-100% 15N]' D2O 5 % '[U-100% 2H]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CCPNMR_Analysis _Saveframe_category software _Name CCPNMR_Analysis _Version 2.15 loop_ _Vendor _Address _Electronic_address CCPN . . 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 600 _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 $15N_labelled save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $double_labelled save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $double_labelled save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $double_labelled save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $double_labelled save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $double_labelled 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' 50 0.1 mM pH 6.5 0.1 pH pressure 1 . atm temperature 298 0.1 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' stop_ loop_ _Sample_label $15N_labelled $double_labelled stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'rhea F0' _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 3 3 MET C C 175.348 0.2 1 2 4 4 SER H H 8.422 0.02 1 3 4 4 SER C C 177.573 0.2 1 4 4 4 SER CA C 55.724 0.2 1 5 4 4 SER CB C 61.173 0.2 1 6 4 4 SER N N 117.841 0.2 1 7 5 5 THR H H 7.850 0.02 1 8 5 5 THR C C 177.937 0.2 1 9 5 5 THR CA C 59.345 0.2 1 10 5 5 THR CB C 68.194 0.2 1 11 5 5 THR N N 113.922 0.2 1 12 6 6 LEU H H 8.849 0.02 1 13 6 6 LEU C C 175.837 0.2 1 14 6 6 LEU CA C 50.832 0.2 1 15 6 6 LEU CB C 42.046 0.2 1 16 6 6 LEU N N 125.162 0.2 1 17 7 7 SER H H 8.774 0.02 1 18 7 7 SER C C 177.976 0.2 1 19 7 7 SER CA C 54.799 0.2 1 20 7 7 SER CB C 60.416 0.2 1 21 7 7 SER N N 120.996 0.2 1 22 8 8 LEU H H 8.719 0.02 1 23 8 8 LEU C C 176.294 0.2 1 24 8 8 LEU CA C 50.214 0.2 1 25 8 8 LEU CB C 42.407 0.2 1 26 8 8 LEU N N 125.209 0.2 1 27 9 9 ARG H H 8.722 0.02 1 28 9 9 ARG C C 177.319 0.2 1 29 9 9 ARG CA C 53.007 0.2 1 30 9 9 ARG CB C 27.872 0.2 1 31 9 9 ARG N N 122.530 0.2 1 32 10 10 ILE H H 9.158 0.02 1 33 10 10 ILE C C 176.215 0.2 1 34 10 10 ILE CA C 54.724 0.2 1 35 10 10 ILE CB C 33.676 0.2 1 36 10 10 ILE N N 124.860 0.2 1 37 11 11 GLN H H 9.036 0.02 1 38 11 11 GLN C C 176.123 0.2 1 39 11 11 GLN CA C 50.858 0.2 1 40 11 11 GLN CB C 29.796 0.2 1 41 11 11 GLN N N 125.134 0.2 1 42 12 12 LEU H H 8.386 0.02 1 43 12 12 LEU C C 174.139 0.2 1 44 12 12 LEU CA C 51.187 0.2 1 45 12 12 LEU CB C 40.329 0.2 1 46 12 12 LEU N N 123.765 0.2 1 47 13 13 GLU H H 8.831 0.02 1 48 13 13 GLU C C 174.128 0.2 1 49 13 13 GLU CA C 55.093 0.2 1 50 13 13 GLU CB C 26.954 0.2 1 51 13 13 GLU N N 123.435 0.2 1 52 14 14 GLY H H 8.976 0.02 1 53 14 14 GLY C C 175.809 0.2 1 54 14 14 GLY CA C 42.866 0.2 1 55 14 14 GLY N N 112.794 0.2 1 56 15 15 GLY H H 8.149 0.02 1 57 15 15 GLY C C 176.931 0.2 1 58 15 15 GLY CA C 42.895 0.2 1 59 15 15 GLY N N 106.222 0.2 1 60 16 16 ARG H H 8.029 0.02 1 61 16 16 ARG C C 174.968 0.2 1 62 16 16 ARG CA C 55.390 0.2 1 63 16 16 ARG CB C 28.098 0.2 1 64 16 16 ARG N N 119.733 0.2 1 65 17 17 VAL H H 7.369 0.02 1 66 17 17 VAL C C 176.934 0.2 1 67 17 17 VAL CA C 59.051 0.2 1 68 17 17 VAL CB C 31.560 0.2 1 69 17 17 VAL N N 116.668 0.2 1 70 18 18 THR H H 8.379 0.02 1 71 18 18 THR C C 177.436 0.2 1 72 18 18 THR CA C 58.636 0.2 1 73 18 18 THR CB C 68.744 0.2 1 74 18 18 THR N N 121.357 0.2 1 75 19 19 LYS H H 8.983 0.02 1 76 19 19 LYS C C 176.495 0.2 1 77 19 19 LYS CA C 52.405 0.2 1 78 19 19 LYS CB C 33.936 0.2 1 79 19 19 LYS N N 124.419 0.2 1 80 20 20 THR H H 8.576 0.02 1 81 20 20 THR C C 177.032 0.2 1 82 20 20 THR CA C 59.645 0.2 1 83 20 20 THR CB C 66.030 0.2 1 84 20 20 THR N N 120.227 0.2 1 85 21 21 ILE H H 9.043 0.02 1 86 21 21 ILE C C 178.439 0.2 1 87 21 21 ILE CA C 57.339 0.2 1 88 21 21 ILE CB C 38.735 0.2 1 89 21 21 ILE N N 129.311 0.2 1 90 22 22 GLN H H 7.785 0.02 1 91 22 22 GLN C C 176.266 0.2 1 92 22 22 GLN CA C 52.225 0.2 1 93 22 22 GLN CB C 27.171 0.2 1 94 22 22 GLN N N 123.955 0.2 1 95 23 23 PHE H H 9.017 0.02 1 96 23 23 PHE C C 175.727 0.2 1 97 23 23 PHE CA C 53.691 0.2 1 98 23 23 PHE CB C 41.692 0.2 1 99 23 23 PHE N N 120.303 0.2 1 100 24 24 GLN H H 8.872 0.02 1 101 24 24 GLN CA C 51.313 0.2 1 102 24 24 GLN CB C 25.675 0.2 1 103 24 24 GLN N N 120.416 0.2 1 104 25 25 PRO C C 175.616 0.2 1 105 25 25 PRO CA C 62.399 0.2 1 106 25 25 PRO CB C 28.820 0.2 1 107 26 26 ASN H H 7.921 0.02 1 108 26 26 ASN C C 176.976 0.2 1 109 26 26 ASN CA C 50.037 0.2 1 110 26 26 ASN CB C 34.264 0.2 1 111 26 26 ASN N N 111.909 0.2 1 112 27 27 THR H H 7.637 0.02 1 113 27 27 THR C C 176.822 0.2 1 114 27 27 THR CA C 60.736 0.2 1 115 27 27 THR CB C 67.483 0.2 1 116 27 27 THR N N 119.078 0.2 1 117 28 28 THR H H 9.176 0.02 1 118 28 28 THR C C 175.767 0.2 1 119 28 28 THR CA C 58.767 0.2 1 120 28 28 THR CB C 68.121 0.2 1 121 28 28 THR N N 117.945 0.2 1 122 29 29 VAL H H 9.091 0.02 1 123 29 29 VAL C C 172.720 0.2 1 124 29 29 VAL CA C 64.234 0.2 1 125 29 29 VAL CB C 28.441 0.2 1 126 29 29 VAL N N 124.880 0.2 1 127 30 30 PHE H H 9.115 0.02 1 128 30 30 PHE C C 173.281 0.2 1 129 30 30 PHE CA C 59.452 0.2 1 130 30 30 PHE CB C 37.127 0.2 1 131 30 30 PHE N N 120.613 0.2 1 132 31 31 ASP H H 8.011 0.02 1 133 31 31 ASP C C 171.611 0.2 1 134 31 31 ASP CA C 54.783 0.2 1 135 31 31 ASP CB C 36.929 0.2 1 136 31 31 ASP N N 121.258 0.2 1 137 32 32 ALA H H 9.110 0.02 1 138 32 32 ALA C C 171.388 0.2 1 139 32 32 ALA CA C 52.359 0.2 1 140 32 32 ALA CB C 14.722 0.2 1 141 32 32 ALA N N 125.025 0.2 1 142 33 33 CYS H H 8.329 0.02 1 143 33 33 CYS C C 175.489 0.2 1 144 33 33 CYS CA C 62.168 0.2 1 145 33 33 CYS CB C 24.049 0.2 1 146 33 33 CYS N N 114.545 0.2 1 147 34 34 LYS H H 7.176 0.02 1 148 34 34 LYS C C 172.734 0.2 1 149 34 34 LYS CA C 57.367 0.2 1 150 34 34 LYS CB C 29.190 0.2 1 151 34 34 LYS N N 120.404 0.2 1 152 35 35 VAL H H 7.370 0.02 1 153 35 35 VAL C C 172.693 0.2 1 154 35 35 VAL CA C 63.317 0.2 1 155 35 35 VAL CB C 29.301 0.2 1 156 35 35 VAL N N 119.970 0.2 1 157 36 36 ILE H H 8.254 0.02 1 158 36 36 ILE C C 174.431 0.2 1 159 36 36 ILE CA C 63.328 0.2 1 160 36 36 ILE CB C 35.682 0.2 1 161 36 36 ILE N N 119.959 0.2 1 162 37 37 ARG H H 7.987 0.02 1 163 37 37 ARG C C 172.463 0.2 1 164 37 37 ARG CA C 57.493 0.2 1 165 37 37 ARG CB C 26.552 0.2 1 166 37 37 ARG N N 118.669 0.2 1 167 38 38 ASP H H 7.563 0.02 1 168 38 38 ASP C C 172.400 0.2 1 169 38 38 ASP CA C 54.281 0.2 1 170 38 38 ASP CB C 37.908 0.2 1 171 38 38 ASP N N 118.089 0.2 1 172 39 39 LYS H H 8.078 0.02 1 173 39 39 LYS C C 173.146 0.2 1 174 39 39 LYS CA C 54.648 0.2 1 175 39 39 LYS CB C 29.260 0.2 1 176 39 39 LYS N N 118.137 0.2 1 177 40 40 PHE H H 8.085 0.02 1 178 40 40 PHE C C 175.021 0.2 1 179 40 40 PHE CA C 55.514 0.2 1 180 40 40 PHE CB C 36.268 0.2 1 181 40 40 PHE N N 116.614 0.2 1 182 41 41 ALA H H 7.624 0.02 1 183 41 41 ALA C C 173.029 0.2 1 184 41 41 ALA CA C 52.370 0.2 1 185 41 41 ALA CB C 15.835 0.2 1 186 41 41 ALA N N 123.853 0.2 1 187 42 42 GLU H H 9.045 0.02 1 188 42 42 GLU C C 174.929 0.2 1 189 42 42 GLU CA C 55.506 0.2 1 190 42 42 GLU CB C 25.850 0.2 1 191 42 42 GLU N N 118.298 0.2 1 192 43 43 ALA H H 8.045 0.02 1 193 43 43 ALA C C 173.902 0.2 1 194 43 43 ALA CA C 50.097 0.2 1 195 43 43 ALA CB C 17.589 0.2 1 196 43 43 ALA N N 121.378 0.2 1 197 44 44 VAL H H 7.425 0.02 1 198 44 44 VAL C C 176.634 0.2 1 199 44 44 VAL CA C 58.901 0.2 1 200 44 44 VAL CB C 30.040 0.2 1 201 44 44 VAL N N 114.913 0.2 1 202 45 45 GLN H H 8.146 0.02 1 203 45 45 GLN C C 175.172 0.2 1 204 45 45 GLN CA C 52.323 0.2 1 205 45 45 GLN CB C 27.851 0.2 1 206 45 45 GLN N N 122.981 0.2 1 207 46 46 GLY H H 8.310 0.02 1 208 46 46 GLY C C 177.699 0.2 1 209 46 46 GLY CA C 42.182 0.2 1 210 46 46 GLY N N 108.982 0.2 1 211 47 47 GLN H H 8.684 0.02 1 212 47 47 GLN CA C 51.009 0.2 1 213 47 47 GLN CB C 26.006 0.2 1 214 47 47 GLN N N 120.397 0.2 1 215 48 48 PRO C C 172.957 0.2 1 216 48 48 PRO CA C 63.013 0.2 1 217 48 48 PRO CB C 28.996 0.2 1 218 49 49 SER H H 7.994 0.02 1 219 49 49 SER C C 176.148 0.2 1 220 49 49 SER CA C 57.240 0.2 1 221 49 49 SER CB C 59.940 0.2 1 222 49 49 SER N N 109.925 0.2 1 223 50 50 GLU H H 7.982 0.02 1 224 50 50 GLU C C 176.342 0.2 1 225 50 50 GLU CA C 53.958 0.2 1 226 50 50 GLU CB C 27.457 0.2 1 227 50 50 GLU N N 119.818 0.2 1 228 51 51 TYR H H 7.556 0.02 1 229 51 51 TYR C C 175.673 0.2 1 230 51 51 TYR CA C 54.516 0.2 1 231 51 51 TYR CB C 39.812 0.2 1 232 51 51 TYR N N 118.605 0.2 1 233 52 52 GLY H H 8.741 0.02 1 234 52 52 GLY C C 180.782 0.2 1 235 52 52 GLY CA C 42.049 0.2 1 236 52 52 GLY N N 106.737 0.2 1 237 53 53 LEU H H 8.971 0.02 1 238 53 53 LEU C C 176.585 0.2 1 239 53 53 LEU CA C 50.697 0.2 1 240 53 53 LEU CB C 42.844 0.2 1 241 53 53 LEU N N 119.740 0.2 1 242 54 54 PHE H H 9.037 0.02 1 243 54 54 PHE C C 177.173 0.2 1 244 54 54 PHE CA C 53.102 0.2 1 245 54 54 PHE CB C 41.357 0.2 1 246 54 54 PHE N N 124.736 0.2 1 247 55 55 ILE H H 8.161 0.02 1 248 55 55 ILE C C 177.437 0.2 1 249 55 55 ILE CA C 57.223 0.2 1 250 55 55 ILE CB C 38.077 0.2 1 251 55 55 ILE N N 124.939 0.2 1 252 56 56 SER H H 8.196 0.02 1 253 56 56 SER C C 177.813 0.2 1 254 56 56 SER CA C 54.838 0.2 1 255 56 56 SER CB C 61.730 0.2 1 256 56 56 SER N N 120.658 0.2 1 257 57 57 ASP H H 8.173 0.02 1 258 57 57 ASP C C 174.731 0.2 1 259 57 57 ASP CA C 50.661 0.2 1 260 57 57 ASP CB C 39.305 0.2 1 261 57 57 ASP N N 123.088 0.2 1 262 58 58 GLU H H 8.595 0.02 1 263 58 58 GLU C C 173.792 0.2 1 264 58 58 GLU CA C 55.870 0.2 1 265 58 58 GLU CB C 26.982 0.2 1 266 58 58 GLU N N 120.922 0.2 1 267 59 59 GLN H H 8.237 0.02 1 268 59 59 GLN C C 175.213 0.2 1 269 59 59 GLN CA C 54.228 0.2 1 270 59 59 GLN CB C 26.172 0.2 1 271 59 59 GLN N N 117.095 0.2 1 272 60 60 ASN H H 8.043 0.02 1 273 60 60 ASN C C 176.313 0.2 1 274 60 60 ASN CA C 50.221 0.2 1 275 60 60 ASN CB C 36.026 0.2 1 276 60 60 ASN N N 117.304 0.2 1 277 61 61 GLN H H 8.415 0.02 1 278 61 61 GLN C C 175.192 0.2 1 279 61 61 GLN CA C 54.708 0.2 1 280 61 61 GLN CB C 25.467 0.2 1 281 61 61 GLN N N 118.944 0.2 1 282 62 62 GLN H H 8.260 0.02 1 283 62 62 GLN C C 175.476 0.2 1 284 62 62 GLN CA C 53.111 0.2 1 285 62 62 GLN CB C 26.800 0.2 1 286 62 62 GLN N N 118.205 0.2 1 287 63 63 GLY H H 7.901 0.02 1 288 63 63 GLY C C 178.867 0.2 1 289 63 63 GLY CA C 42.793 0.2 1 290 63 63 GLY N N 108.744 0.2 1 291 64 64 VAL H H 7.725 0.02 1 292 64 64 VAL C C 177.497 0.2 1 293 64 64 VAL CA C 58.242 0.2 1 294 64 64 VAL CB C 32.776 0.2 1 295 64 64 VAL N N 119.954 0.2 1 296 65 65 TRP H H 8.421 0.02 1 297 65 65 TRP HE1 H 10.094 0.02 1 298 65 65 TRP C C 174.806 0.2 1 299 65 65 TRP CA C 53.112 0.2 1 300 65 65 TRP CB C 26.437 0.2 1 301 65 65 TRP N N 125.337 0.2 1 302 65 65 TRP NE1 N 129.917 0.2 1 303 66 66 LEU H H 8.657 0.02 1 304 66 66 LEU C C 174.663 0.2 1 305 66 66 LEU CA C 53.044 0.2 1 306 66 66 LEU CB C 38.073 0.2 1 307 66 66 LEU N N 125.677 0.2 1 308 67 67 GLU H H 8.379 0.02 1 309 67 67 GLU CA C 51.706 0.2 1 310 67 67 GLU CB C 27.366 0.2 1 311 67 67 GLU N N 124.922 0.2 1 312 68 68 PRO C C 174.174 0.2 1 313 68 68 PRO CA C 62.077 0.2 1 314 68 68 PRO CB C 29.708 0.2 1 315 69 69 GLY H H 8.401 0.02 1 316 69 69 GLY C C 175.808 0.2 1 317 69 69 GLY CA C 42.247 0.2 1 318 69 69 GLY N N 101.100 0.2 1 319 70 70 ARG H H 7.442 0.02 1 320 70 70 ARG C C 176.132 0.2 1 321 70 70 ARG CA C 51.104 0.2 1 322 70 70 ARG CB C 29.274 0.2 1 323 70 70 ARG N N 118.791 0.2 1 324 71 71 THR H H 7.672 0.02 1 325 71 71 THR CA C 57.343 0.2 1 326 71 71 THR CB C 68.020 0.2 1 327 71 71 THR N N 107.855 0.2 1 328 72 72 LEU H H 8.235 0.02 1 329 72 72 LEU C C 171.276 0.2 1 330 72 72 LEU CA C 55.538 0.2 1 331 72 72 LEU CB C 39.032 0.2 1 332 72 72 LEU N N 118.312 0.2 1 333 73 73 GLY H H 8.799 0.02 1 334 73 73 GLY C C 175.129 0.2 1 335 73 73 GLY CA C 43.397 0.2 1 336 73 73 GLY N N 103.206 0.2 1 337 74 74 TYR H H 7.780 0.02 1 338 74 74 TYR C C 175.265 0.2 1 339 74 74 TYR CA C 57.949 0.2 1 340 74 74 TYR CB C 35.631 0.2 1 341 74 74 TYR N N 123.693 0.2 1 342 75 75 TYR H H 7.248 0.02 1 343 75 75 TYR C C 176.978 0.2 1 344 75 75 TYR CA C 56.842 0.2 1 345 75 75 TYR CB C 35.867 0.2 1 346 75 75 TYR N N 113.705 0.2 1 347 76 76 ILE H H 7.912 0.02 1 348 76 76 ILE CA C 58.471 0.2 1 349 76 76 ILE CB C 31.812 0.2 1 350 76 76 ILE N N 118.127 0.2 1 351 77 77 LEU C C 175.116 0.2 1 352 77 77 LEU CA C 51.323 0.2 1 353 77 77 LEU CB C 40.800 0.2 1 354 78 78 HIS H H 8.781 0.02 1 355 78 78 HIS C C 177.549 0.2 1 356 78 78 HIS CA C 51.164 0.2 1 357 78 78 HIS CB C 28.362 0.2 1 358 78 78 HIS N N 117.960 0.2 1 359 79 79 ASN H H 8.646 0.02 1 360 79 79 ASN C C 174.633 0.2 1 361 79 79 ASN CA C 52.228 0.2 1 362 79 79 ASN CB C 35.866 0.2 1 363 79 79 ASN N N 117.901 0.2 1 364 80 80 GLN H H 9.237 0.02 1 365 80 80 GLN C C 176.313 0.2 1 366 80 80 GLN CA C 54.958 0.2 1 367 80 80 GLN CB C 23.666 0.2 1 368 80 80 GLN N N 114.947 0.2 1 369 81 81 ASP H H 8.033 0.02 1 370 81 81 ASP C C 176.467 0.2 1 371 81 81 ASP CA C 52.984 0.2 1 372 81 81 ASP CB C 38.685 0.2 1 373 81 81 ASP N N 120.811 0.2 1 374 82 82 THR H H 8.183 0.02 1 375 82 82 THR C C 176.910 0.2 1 376 82 82 THR CA C 58.852 0.2 1 377 82 82 THR CB C 67.782 0.2 1 378 82 82 THR N N 115.070 0.2 1 379 83 83 LEU H H 8.990 0.02 1 380 83 83 LEU C C 176.772 0.2 1 381 83 83 LEU CA C 51.273 0.2 1 382 83 83 LEU CB C 43.337 0.2 1 383 83 83 LEU N N 126.167 0.2 1 384 84 84 GLU H H 9.083 0.02 1 385 84 84 GLU C C 176.370 0.2 1 386 84 84 GLU CA C 51.555 0.2 1 387 84 84 GLU CB C 30.256 0.2 1 388 84 84 GLU N N 120.443 0.2 1 389 85 85 TYR H H 8.671 0.02 1 390 85 85 TYR C C 177.580 0.2 1 391 85 85 TYR CA C 53.704 0.2 1 392 85 85 TYR CB C 36.215 0.2 1 393 85 85 TYR N N 127.854 0.2 1 394 86 86 ARG H H 8.635 0.02 1 395 86 86 ARG C C 177.469 0.2 1 396 86 86 ARG CA C 52.008 0.2 1 397 86 86 ARG CB C 31.756 0.2 1 398 86 86 ARG N N 124.525 0.2 1 399 87 87 ARG H H 8.389 0.02 1 400 87 87 ARG C C 174.792 0.2 1 401 87 87 ARG CA C 53.710 0.2 1 402 87 87 ARG CB C 27.690 0.2 1 403 87 87 ARG N N 123.920 0.2 1 404 88 88 LYS H H 8.398 0.02 1 405 88 88 LYS C C 175.582 0.2 1 406 88 88 LYS CA C 54.025 0.2 1 407 88 88 LYS CB C 29.942 0.2 1 408 88 88 LYS N N 125.871 0.2 1 409 89 89 THR H H 7.300 0.02 1 410 89 89 THR CA C 59.999 0.2 1 411 89 89 THR CB C 67.915 0.2 1 412 89 89 THR N N 120.000 0.2 1 stop_ save_