data_26726 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 15N, and 13C resonance assignments of the Extracellular Adherence Protein Domain 4 ; _BMRB_accession_number 26726 _BMRB_flat_file_name bmr26726.str _Entry_type original _Submission_date 2016-01-08 _Accession_date 2016-01-08 _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 Woehl Jordan . . 2 Takahashi Daisuke . . 3 Herrera Alvaro . . 4 Geisbrecht Brian . . 5 Prakash Om . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 92 "13C chemical shifts" 181 "15N chemical shifts" 92 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-01-11 update BMRB 'update entry citation' 2016-07-14 original author 'original release' stop_ _Original_release_date 2016-07-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N, and 13C resonance assignments of Staphylococcus aureus extracellular adherence protein domain 4 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27372920 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Woehl Jordan . . 2 Takahashi Daisuke . . 3 Herrera Alvaro . . 4 Geisbrecht Brian . . 5 Prakash Om . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 10 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 301 _Page_last 305 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Extracellular Adherence Protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Domain 4' $Eap4 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_Eap4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Eap4 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 98 _Mol_residue_sequence ; GSTVPYTIAVNGTSTPILSK LKISNKQLISYKYLNDKVKS VLKSERGISDLDLKFAKQAK YTVYFKNGKKQVVNLKSDIF TPNLFSAKDIKKIDIDVK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 THR 4 4 VAL 5 5 PRO 6 6 TYR 7 7 THR 8 8 ILE 9 9 ALA 10 10 VAL 11 11 ASN 12 12 GLY 13 13 THR 14 14 SER 15 15 THR 16 16 PRO 17 17 ILE 18 18 LEU 19 19 SER 20 20 LYS 21 21 LEU 22 22 LYS 23 23 ILE 24 24 SER 25 25 ASN 26 26 LYS 27 27 GLN 28 28 LEU 29 29 ILE 30 30 SER 31 31 TYR 32 32 LYS 33 33 TYR 34 34 LEU 35 35 ASN 36 36 ASP 37 37 LYS 38 38 VAL 39 39 LYS 40 40 SER 41 41 VAL 42 42 LEU 43 43 LYS 44 44 SER 45 45 GLU 46 46 ARG 47 47 GLY 48 48 ILE 49 49 SER 50 50 ASP 51 51 LEU 52 52 ASP 53 53 LEU 54 54 LYS 55 55 PHE 56 56 ALA 57 57 LYS 58 58 GLN 59 59 ALA 60 60 LYS 61 61 TYR 62 62 THR 63 63 VAL 64 64 TYR 65 65 PHE 66 66 LYS 67 67 ASN 68 68 GLY 69 69 LYS 70 70 LYS 71 71 GLN 72 72 VAL 73 73 VAL 74 74 ASN 75 75 LEU 76 76 LYS 77 77 SER 78 78 ASP 79 79 ILE 80 80 PHE 81 81 THR 82 82 PRO 83 83 ASN 84 84 LEU 85 85 PHE 86 86 SER 87 87 ALA 88 88 LYS 89 89 ASP 90 90 ILE 91 91 LYS 92 92 LYS 93 93 ILE 94 94 ASP 95 95 ILE 96 96 ASP 97 97 VAL 98 98 LYS 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 $Eap4 firmicutes 1280 Bacteria . Staphylococcus aureus 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 $Eap4 'recombinant technology' . Escherichia coli . pT7HMT 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Eap4 . mM 0.5 1.0 '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 50 mM . . 'natural abundance' 'sodium azide' 0.1 % . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'secondary structure prediction' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMR _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III' _Field_strength 800 _Details . 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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 273 . 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 na indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 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' '2D 1H-13C HSQC' '3D HNCA' '3D HNCO' '3D HN(CO)CA' '3D HNCACB' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Domain 4' _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 THR H H 8.155 0.020 1 2 3 3 THR CA C 60.746 0.3 1 3 3 3 THR CB C 71.022 0.3 1 4 3 3 THR N N 116.609 0.3 1 5 4 4 VAL H H 8.765 0.020 1 6 4 4 VAL CA C 54.270 0.3 1 7 4 4 VAL CB C 32.000 0.3 1 8 4 4 VAL N N 123.097 0.3 1 9 6 6 TYR H H 8.354 0.020 1 10 6 6 TYR CA C 55.305 0.3 1 11 6 6 TYR CB C 41.556 0.3 1 12 6 6 TYR N N 117.106 0.3 1 13 7 7 THR H H 8.418 0.020 1 14 7 7 THR CA C 58.932 0.3 1 15 7 7 THR CB C 72.094 0.3 1 16 7 7 THR N N 109.595 0.3 1 17 8 8 ILE H H 8.692 0.020 1 18 8 8 ILE CA C 60.347 0.3 1 19 8 8 ILE CB C 41.216 0.3 1 20 8 8 ILE N N 119.663 0.3 1 21 9 9 ALA H H 8.664 0.020 1 22 9 9 ALA CA C 51.663 0.3 1 23 9 9 ALA CB C 20.209 0.3 1 24 9 9 ALA N N 132.603 0.3 1 25 10 10 VAL H H 8.182 0.020 1 26 10 10 VAL CA C 59.737 0.3 1 27 10 10 VAL CB C 42.401 0.3 1 28 10 10 VAL N N 119.738 0.3 1 29 11 11 ASN H H 9.369 0.020 1 30 11 11 ASN CA C 54.654 0.3 1 31 11 11 ASN CB C 37.328 0.3 1 32 11 11 ASN N N 124.499 0.3 1 33 12 12 GLY H H 9.299 0.020 1 34 12 12 GLY CA C 46.861 0.3 1 35 12 12 GLY N N 105.904 0.3 1 36 13 13 THR H H 7.785 0.020 1 37 13 13 THR CA C 60.541 0.3 1 38 13 13 THR CB C 70.349 0.3 1 39 13 13 THR N N 114.907 0.3 1 40 14 14 SER H H 8.797 0.020 1 41 14 14 SER CA C 57.721 0.3 1 42 14 14 SER CB C 64.158 0.3 1 43 14 14 SER N N 121.273 0.3 1 44 15 15 THR H H 8.264 0.020 1 45 15 15 THR CA C 58.730 0.3 1 46 15 15 THR CB C 69.458 0.3 1 47 15 15 THR N N 118.392 0.3 1 48 17 17 ILE H H 8.145 0.020 1 49 17 17 ILE CA C 59.335 0.3 1 50 17 17 ILE CB C 38.791 0.3 1 51 17 17 ILE N N 122.480 0.3 1 52 18 18 LEU H H 8.847 0.020 1 53 18 18 LEU CA C 55.106 0.3 1 54 18 18 LEU CB C 42.649 0.3 1 55 18 18 LEU N N 127.927 0.3 1 56 19 19 SER H H 8.043 0.020 1 57 19 19 SER CA C 56.715 0.3 1 58 19 19 SER CB C 63.456 0.3 1 59 19 19 SER N N 117.298 0.3 1 60 20 20 LYS H H 8.476 0.020 1 61 20 20 LYS CA C 55.312 0.3 1 62 20 20 LYS CB C 35.378 0.3 1 63 20 20 LYS N N 119.014 0.3 1 64 21 21 LEU H H 9.324 0.020 1 65 21 21 LEU CA C 54.297 0.3 1 66 21 21 LEU CB C 43.477 0.3 1 67 21 21 LEU N N 124.725 0.3 1 68 22 22 LYS H H 8.617 0.020 1 69 22 22 LYS CA C 55.710 0.3 1 70 22 22 LYS CB C 33.160 0.3 1 71 22 22 LYS N N 126.973 0.3 1 72 23 23 ILE H H 8.701 0.020 1 73 23 23 ILE CA C 58.733 0.3 1 74 23 23 ILE CB C 41.028 0.3 1 75 23 23 ILE N N 122.905 0.3 1 76 25 25 ASN H H 8.415 0.020 1 77 25 25 ASN CA C 53.090 0.3 1 78 25 25 ASN CB C 38.934 0.3 1 79 25 25 ASN N N 121.912 0.3 1 80 26 26 LYS H H 8.008 0.020 1 81 26 26 LYS CA C 56.614 0.3 1 82 26 26 LYS CB C 33.174 0.3 1 83 26 26 LYS N N 119.037 0.3 1 84 27 27 GLN H H 7.707 0.020 1 85 27 27 GLN CA C 54.900 0.3 1 86 27 27 GLN CB C 30.119 0.3 1 87 27 27 GLN N N 116.627 0.3 1 88 28 28 LEU H H 8.124 0.020 1 89 28 28 LEU CA C 55.101 0.3 1 90 28 28 LEU CB C 42.412 0.3 1 91 28 28 LEU N N 120.972 0.3 1 92 29 29 ILE H H 8.802 0.020 1 93 29 29 ILE CA C 58.867 0.3 1 94 29 29 ILE CB C 40.269 0.3 1 95 29 29 ILE N N 117.597 0.3 1 96 30 30 SER H H 6.904 0.020 1 97 30 30 SER CA C 55.099 0.3 1 98 30 30 SER CB C 67.353 0.3 1 99 30 30 SER N N 111.622 0.3 1 100 31 31 TYR H H 9.412 0.020 1 101 31 31 TYR CA C 62.356 0.3 1 102 31 31 TYR CB C 37.338 0.3 1 103 31 31 TYR N N 119.221 0.3 1 104 32 32 LYS H H 7.820 0.020 1 105 32 32 LYS CA C 59.543 0.3 1 106 32 32 LYS CB C 31.551 0.3 1 107 32 32 LYS N N 120.022 0.3 1 108 33 33 TYR H H 7.409 0.020 1 109 33 33 TYR CA C 59.948 0.3 1 110 33 33 TYR CB C 38.206 0.3 1 111 33 33 TYR N N 119.462 0.3 1 112 34 34 LEU H H 8.065 0.020 1 113 34 34 LEU CA C 57.312 0.3 1 114 34 34 LEU CB C 41.309 0.3 1 115 34 34 LEU N N 119.853 0.3 1 116 35 35 ASN H H 9.276 0.020 1 117 35 35 ASN CA C 56.318 0.3 1 118 35 35 ASN CB C 37.239 0.3 1 119 35 35 ASN N N 120.048 0.3 1 120 36 36 ASP H H 7.349 0.020 1 121 36 36 ASP CA C 57.249 0.3 1 122 36 36 ASP CB C 39.571 0.3 1 123 36 36 ASP N N 118.390 0.3 1 124 37 37 LYS H H 7.587 0.020 1 125 37 37 LYS CA C 57.013 0.3 1 126 37 37 LYS CB C 30.611 0.3 1 127 37 37 LYS N N 120.505 0.3 1 128 38 38 VAL H H 8.758 0.020 1 129 38 38 VAL CA C 64.982 0.3 1 130 38 38 VAL CB C 30.428 0.3 1 131 38 38 VAL N N 121.279 0.3 1 132 39 39 LYS H H 8.485 0.020 1 133 39 39 LYS CA C 60.354 0.3 1 134 39 39 LYS CB C 31.520 0.3 1 135 39 39 LYS N N 118.348 0.3 1 136 40 40 SER H H 7.856 0.020 1 137 40 40 SER CA C 61.120 0.3 1 138 40 40 SER CB C 62.542 0.3 1 139 40 40 SER N N 115.081 0.3 1 140 41 41 VAL H H 7.666 0.020 1 141 41 41 VAL CA C 63.362 0.3 1 142 41 41 VAL CB C 30.678 0.3 1 143 41 41 VAL N N 119.544 0.3 1 144 42 42 LEU H H 8.068 0.020 1 145 42 42 LEU CA C 58.109 0.3 1 146 42 42 LEU CB C 41.238 0.3 1 147 42 42 LEU N N 122.111 0.3 1 148 43 43 LYS H H 7.711 0.020 1 149 43 43 LYS CA C 59.129 0.3 1 150 43 43 LYS CB C 32.049 0.3 1 151 43 43 LYS N N 120.051 0.3 1 152 44 44 SER H H 8.608 0.020 1 153 44 44 SER CA C 60.748 0.3 1 154 44 44 SER CB C 62.472 0.3 1 155 44 44 SER N N 115.594 0.3 1 156 45 45 GLU H H 8.902 0.020 1 157 45 45 GLU CA C 57.117 0.3 1 158 45 45 GLU CB C 29.870 0.3 1 159 45 45 GLU N N 117.311 0.3 1 160 46 46 ARG H H 7.003 0.020 1 161 46 46 ARG CA C 53.087 0.3 1 162 46 46 ARG CB C 31.950 0.3 1 163 46 46 ARG N N 112.852 0.3 1 164 47 47 GLY H H 7.662 0.020 1 165 47 47 GLY CA C 48.052 0.3 1 166 47 47 GLY N N 110.248 0.3 1 167 48 48 ILE H H 7.362 0.020 1 168 48 48 ILE CA C 59.546 0.3 1 169 48 48 ILE CB C 37.924 0.3 1 170 48 48 ILE N N 122.411 0.3 1 171 49 49 SER H H 9.554 0.020 1 172 49 49 SER CA C 56.513 0.3 1 173 49 49 SER CB C 66.395 0.3 1 174 49 49 SER N N 125.100 0.3 1 175 50 50 ASP H H 8.623 0.020 1 176 50 50 ASP CA C 57.519 0.3 1 177 50 50 ASP CB C 40.041 0.3 1 178 50 50 ASP N N 119.108 0.3 1 179 51 51 LEU H H 8.037 0.020 1 180 51 51 LEU CA C 57.318 0.3 1 181 51 51 LEU CB C 41.247 0.3 1 182 51 51 LEU N N 120.776 0.3 1 183 52 52 ASP H H 7.413 0.020 1 184 52 52 ASP CA C 57.085 0.3 1 185 52 52 ASP CB C 40.947 0.3 1 186 52 52 ASP N N 118.302 0.3 1 187 53 53 LEU H H 7.855 0.020 1 188 53 53 LEU CA C 57.118 0.3 1 189 53 53 LEU CB C 40.994 0.3 1 190 53 53 LEU N N 118.534 0.3 1 191 54 54 LYS H H 7.564 0.020 1 192 54 54 LYS CA C 58.565 0.3 1 193 54 54 LYS CB C 31.506 0.3 1 194 54 54 LYS N N 118.104 0.3 1 195 55 55 PHE H H 7.393 0.020 1 196 55 55 PHE CA C 57.522 0.3 1 197 55 55 PHE CB C 38.876 0.3 1 198 55 55 PHE N N 114.943 0.3 1 199 56 56 ALA H H 7.354 0.020 1 200 56 56 ALA CA C 52.886 0.3 1 201 56 56 ALA CB C 17.571 0.3 1 202 56 56 ALA N N 123.728 0.3 1 203 57 57 LYS H H 9.244 0.020 1 204 57 57 LYS CA C 58.326 0.3 1 205 57 57 LYS CB C 31.969 0.3 1 206 57 57 LYS N N 124.771 0.3 1 207 58 58 GLN H H 8.540 0.020 1 208 58 58 GLN CA C 55.105 0.3 1 209 58 58 GLN CB C 32.503 0.3 1 210 58 58 GLN N N 116.644 0.3 1 211 59 59 ALA H H 9.318 0.020 1 212 59 59 ALA CA C 52.284 0.3 1 213 59 59 ALA CB C 20.816 0.3 1 214 59 59 ALA N N 127.205 0.3 1 215 60 60 LYS H H 8.961 0.020 1 216 60 60 LYS CA C 54.296 0.3 1 217 60 60 LYS CB C 36.911 0.3 1 218 60 60 LYS N N 122.099 0.3 1 219 61 61 TYR H H 8.915 0.020 1 220 61 61 TYR CA C 55.907 0.3 1 221 61 61 TYR CB C 42.088 0.3 1 222 61 61 TYR N N 113.804 0.3 1 223 62 62 THR H H 9.187 0.020 1 224 62 62 THR CA C 60.543 0.3 1 225 62 62 THR CB C 70.053 0.3 1 226 62 62 THR N N 116.846 0.3 1 227 63 63 VAL H H 9.131 0.020 1 228 63 63 VAL CA C 60.355 0.3 1 229 63 63 VAL CB C 32.526 0.3 1 230 63 63 VAL N N 126.723 0.3 1 231 64 64 TYR H H 8.465 0.020 1 232 64 64 TYR CA C 56.714 0.3 1 233 64 64 TYR CB C 38.150 0.3 1 234 64 64 TYR N N 124.495 0.3 1 235 65 65 PHE H H 9.083 0.020 1 236 65 65 PHE CA C 57.520 0.3 1 237 65 65 PHE CB C 40.020 0.3 1 238 65 65 PHE N N 122.347 0.3 1 239 66 66 LYS H H 9.244 0.020 1 240 66 66 LYS CA C 59.335 0.3 1 241 66 66 LYS CB C 32.144 0.3 1 242 66 66 LYS N N 123.176 0.3 1 243 67 67 ASN H H 8.360 0.020 1 244 67 67 ASN CA C 53.291 0.3 1 245 67 67 ASN CB C 36.745 0.3 1 246 67 67 ASN N N 115.967 0.3 1 247 68 68 GLY H H 7.984 0.020 1 248 68 68 GLY CA C 46.641 0.3 1 249 68 68 GLY N N 107.348 0.3 1 250 69 69 LYS H H 7.871 0.020 1 251 69 69 LYS CA C 56.120 0.3 1 252 69 69 LYS CB C 32.714 0.3 1 253 69 69 LYS N N 121.243 0.3 1 254 70 70 LYS H H 8.517 0.020 1 255 70 70 LYS CA C 54.403 0.3 1 256 70 70 LYS CB C 35.501 0.3 1 257 70 70 LYS N N 119.306 0.3 1 258 71 71 GLN H H 8.685 0.020 1 259 71 71 GLN CA C 54.573 0.3 1 260 71 71 GLN CB C 39.125 0.3 1 261 71 71 GLN N N 121.483 0.3 1 262 72 72 VAL H H 8.657 0.020 1 263 72 72 VAL CA C 61.069 0.3 1 264 72 72 VAL CB C 31.688 0.3 1 265 72 72 VAL N N 128.421 0.3 1 266 73 73 VAL H H 9.322 0.020 1 267 73 73 VAL CA C 60.930 0.3 1 268 73 73 VAL CB C 32.864 0.3 1 269 73 73 VAL N N 131.361 0.3 1 270 74 74 ASN H H 8.660 0.020 1 271 74 74 ASN CA C 52.290 0.3 1 272 74 74 ASN CB C 37.958 0.3 1 273 74 74 ASN N N 123.852 0.3 1 274 75 75 LEU H H 9.082 0.020 1 275 75 75 LEU CA C 56.766 0.3 1 276 75 75 LEU CB C 42.740 0.3 1 277 75 75 LEU N N 127.378 0.3 1 278 76 76 LYS H H 8.290 0.020 1 279 76 76 LYS CA C 56.514 0.3 1 280 76 76 LYS CB C 31.080 0.3 1 281 76 76 LYS N N 115.919 0.3 1 282 77 77 SER H H 7.078 0.020 1 283 77 77 SER CA C 56.713 0.3 1 284 77 77 SER CB C 63.784 0.3 1 285 77 77 SER N N 112.262 0.3 1 286 78 78 ASP H H 8.471 0.020 1 287 78 78 ASP CA C 54.021 0.3 1 288 78 78 ASP CB C 40.641 0.3 1 289 78 78 ASP N N 124.577 0.3 1 290 79 79 ILE H H 7.676 0.020 1 291 79 79 ILE CA C 59.549 0.3 1 292 79 79 ILE CB C 38.298 0.3 1 293 79 79 ILE N N 120.238 0.3 1 294 80 80 PHE H H 8.356 0.020 1 295 80 80 PHE CA C 56.309 0.3 1 296 80 80 PHE CB C 40.953 0.3 1 297 80 80 PHE N N 124.992 0.3 1 298 81 81 THR H H 8.545 0.020 1 299 81 81 THR CA C 59.334 0.3 1 300 81 81 THR CB C 69.009 0.3 1 301 81 81 THR N N 118.844 0.3 1 302 83 83 ASN H H 7.970 0.020 1 303 83 83 ASN CA C 54.701 0.3 1 304 83 83 ASN CB C 38.698 0.3 1 305 83 83 ASN N N 118.352 0.3 1 306 84 84 LEU H H 8.339 0.020 1 307 84 84 LEU CA C 53.891 0.3 1 308 84 84 LEU CB C 44.237 0.3 1 309 84 84 LEU N N 121.994 0.3 1 310 85 85 PHE H H 8.369 0.020 1 311 85 85 PHE CA C 55.307 0.3 1 312 85 85 PHE CB C 40.035 0.3 1 313 85 85 PHE N N 118.120 0.3 1 314 86 86 SER H H 8.949 0.020 1 315 86 86 SER CA C 56.724 0.3 1 316 86 86 SER CB C 63.752 0.3 1 317 86 86 SER N N 113.804 0.3 1 318 87 87 ALA H H 9.237 0.020 1 319 87 87 ALA CA C 55.102 0.3 1 320 87 87 ALA CB C 18.605 0.3 1 321 87 87 ALA N N 129.363 0.3 1 322 88 88 LYS H H 8.245 0.020 1 323 88 88 LYS CA C 57.924 0.3 1 324 88 88 LYS CB C 31.648 0.3 1 325 88 88 LYS N N 115.247 0.3 1 326 89 89 ASP H H 7.598 0.020 1 327 89 89 ASP CA C 55.197 0.3 1 328 89 89 ASP CB C 41.184 0.3 1 329 89 89 ASP N N 116.262 0.3 1 330 90 90 ILE H H 7.423 0.020 1 331 90 90 ILE CA C 62.151 0.3 1 332 90 90 ILE CB C 38.523 0.3 1 333 90 90 ILE N N 119.511 0.3 1 334 91 91 LYS H H 9.657 0.020 1 335 91 91 LYS CA C 57.323 0.3 1 336 91 91 LYS CB C 34.281 0.3 1 337 91 91 LYS N N 128.598 0.3 1 338 92 92 LYS H H 7.574 0.020 1 339 92 92 LYS CA C 55.708 0.3 1 340 92 92 LYS CB C 34.053 0.3 1 341 92 92 LYS N N 112.422 0.3 1 342 93 93 ILE H H 8.174 0.020 1 343 93 93 ILE CA C 59.742 0.3 1 344 93 93 ILE CB C 42.419 0.3 1 345 93 93 ILE N N 119.739 0.3 1 346 94 94 ASP H H 8.956 0.020 1 347 94 94 ASP CA C 53.314 0.3 1 348 94 94 ASP CB C 43.349 0.3 1 349 94 94 ASP N N 126.099 0.3 1 350 95 95 ILE H H 9.024 0.020 1 351 95 95 ILE CA C 61.159 0.3 1 352 95 95 ILE CB C 38.808 0.3 1 353 95 95 ILE N N 127.298 0.3 1 354 96 96 ASP H H 9.416 0.020 1 355 96 96 ASP CA C 54.503 0.3 1 356 96 96 ASP CB C 45.023 0.3 1 357 96 96 ASP N N 131.865 0.3 1 358 97 97 VAL H H 8.615 0.020 1 359 97 97 VAL CA C 60.337 0.3 1 360 97 97 VAL CB C 34.644 0.3 1 361 97 97 VAL N N 125.647 0.3 1 362 98 98 LYS H H 9.135 0.020 1 363 98 98 LYS CA C 57.519 0.3 1 364 98 98 LYS CB C 34.650 0.3 1 365 98 98 LYS N N 132.096 0.3 1 stop_ save_