data_15506 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the intrinsically disordered translocation domain of colicin N ; _BMRB_accession_number 15506 _BMRB_flat_file_name bmr15506.str _Entry_type original _Submission_date 2007-10-04 _Accession_date 2007-10-04 _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 Hecht Oliver . . 2 Moore Geoff . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 84 "13C chemical shifts" 238 "15N chemical shifts" 84 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-28 update BMRB 'complete entry citation' 2008-06-26 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Self-recognition by an intrinsically disordered protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18573254 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hecht O. . . 2 Ridley H. . . 3 Boetzel R. . . 4 Lewin A. . . 5 Cull N. . . 6 Chalton D. A. . 7 Lakey J. H. . 8 Moore G. R. . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_volume 582 _Journal_issue 17 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2673 _Page_last 2677 _Year 2008 _Details . loop_ _Keyword Colicin 'intrinsically disordered Protein' 'naturally unfolded Protein' NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Colicin_N_T_domain _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Colicin_N_T_domain $Colicin_N_T_domain 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_Colicin_N_T_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Colicin_N_T_domain _Molecular_mass 8924 _Mol_thiol_state 'not present' loop_ _Biological_function 'translocation of a pore-forming domain' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; GSNGADNAHNNAFGGGKNPG IGNTSGAGSNGSASSNRGNS NGWSWSNKPHKNDGFHSDGS YHITFHGDNNSKPKPGGNSG NRGNNGDGAS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 ASN 4 GLY 5 ALA 6 ASP 7 ASN 8 ALA 9 HIS 10 ASN 11 ASN 12 ALA 13 PHE 14 GLY 15 GLY 16 GLY 17 LYS 18 ASN 19 PRO 20 GLY 21 ILE 22 GLY 23 ASN 24 THR 25 SER 26 GLY 27 ALA 28 GLY 29 SER 30 ASN 31 GLY 32 SER 33 ALA 34 SER 35 SER 36 ASN 37 ARG 38 GLY 39 ASN 40 SER 41 ASN 42 GLY 43 TRP 44 SER 45 TRP 46 SER 47 ASN 48 LYS 49 PRO 50 HIS 51 LYS 52 ASN 53 ASP 54 GLY 55 PHE 56 HIS 57 SER 58 ASP 59 GLY 60 SER 61 TYR 62 HIS 63 ILE 64 THR 65 PHE 66 HIS 67 GLY 68 ASP 69 ASN 70 ASN 71 SER 72 LYS 73 PRO 74 LYS 75 PRO 76 GLY 77 GLY 78 ASN 79 SER 80 GLY 81 ASN 82 ARG 83 GLY 84 ASN 85 ASN 86 GLY 87 ASP 88 GLY 89 ALA 90 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 16130 Tdom40-76 98.89 90 100.00 100.00 4.02e-49 BMRB 16131 Tdom40-47 98.89 90 100.00 100.00 4.02e-49 EMBL CAA68592 "unnamed protein product [Escherichia coli]" 100.00 387 100.00 100.00 8.54e-51 EMBL CTB58308 "colicin E1 protein [Shigella sonnei]" 100.00 387 98.89 100.00 3.82e-50 GB EMX27764 "colicin-N [Escherichia coli MP021561.2]" 100.00 387 100.00 100.00 8.54e-51 GB EMZ96444 "colicin-N [Escherichia coli P0299917.1]" 100.00 387 100.00 100.00 8.72e-51 GB KHH25654 "colicin-N [Escherichia coli]" 100.00 387 98.89 100.00 3.74e-50 GB KHH41883 "colicin-N [Escherichia coli]" 100.00 387 100.00 100.00 8.54e-51 GB KHH74941 "colicin-N [Escherichia coli]" 100.00 387 100.00 100.00 8.54e-51 REF WP_001749638 "colicin N [Escherichia coli]" 100.00 387 100.00 100.00 8.72e-51 REF WP_004026235 "colicin N [Escherichia coli]" 100.00 387 100.00 100.00 8.54e-51 REF WP_024139131 "colicin N [Salmonella enterica]" 100.00 387 98.89 100.00 4.52e-50 REF WP_032488335 "colicin N [Escherichia coli]" 100.00 387 100.00 100.00 8.54e-51 REF WP_040089861 "MULTISPECIES: colicin N [Enterobacteriaceae]" 100.00 387 98.89 100.00 3.82e-50 SP P08083 "RecName: Full=Colicin-N" 100.00 387 100.00 100.00 8.54e-51 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Colicin_N_T_domain 'E. coli' 562 Bacteria . Escherichia coli 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 $Colicin_N_T_domain 'recombinant technology' . Escherichia coli Bl21 D3 pOHN1 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 $Colicin_N_T_domain 1.1 mM '[U-100% 13C; U-100% 15N]' 'sodium azide' 0.01 % 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 300 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_HNN_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNN _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' 0.35 . M pH 6.8 . pH pressure 1 . atm temperature 288 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '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 Colicin_N_T_domain _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 2 1 GLY CA C 43.428 . 1 2 3 2 SER H H 8.748 . 1 3 3 2 SER C C 170.436 . 1 4 3 2 SER CA C 58.367 . 1 5 3 2 SER CB C 63.883 . 1 6 3 2 SER N N 115.824 . 1 7 4 3 ASN H H 8.701 . 1 8 4 3 ASN C C 174.502 . 1 9 4 3 ASN CA C 53.537 . 1 10 4 3 ASN CB C 38.808 . 1 11 4 3 ASN N N 121.069 . 1 12 5 4 GLY H H 8.414 . 1 13 5 4 GLY C C 176.906 . 1 14 5 4 GLY CA C 45.497 . 1 15 5 4 GLY N N 109.523 . 1 16 6 5 ALA H H 8.191 . 1 17 6 5 ALA C C 174.093 . 1 18 6 5 ALA CA C 52.652 . 1 19 6 5 ALA CB C 19.229 . 1 20 6 5 ALA N N 123.922 . 1 21 7 6 ASP H H 8.330 . 1 22 7 6 ASP C C 173.902 . 1 23 7 6 ASP CA C 54.231 . 1 24 7 6 ASP CB C 40.788 . 1 25 7 6 ASP N N 119.224 . 1 26 8 7 ASN H H 8.274 . 1 27 8 7 ASN C C 176.196 . 1 28 8 7 ASN CA C 53.423 . 1 29 8 7 ASN CB C 38.809 . 1 30 8 7 ASN N N 119.282 . 1 31 9 8 ALA H H 8.171 . 1 32 9 8 ALA C C 175.305 . 1 33 9 8 ALA CA C 53.163 . 1 34 9 8 ALA CB C 18.991 . 1 35 9 8 ALA N N 123.300 . 1 36 10 9 HIS H H 8.347 . 1 37 10 9 HIS C C 177.824 . 1 38 10 9 HIS CA C 55.470 . 1 39 10 9 HIS CB C 28.627 . 1 40 10 9 HIS N N 116.591 . 1 41 11 10 ASN H H 8.312 . 1 42 11 10 ASN C C 174.306 . 1 43 11 10 ASN CA C 53.355 . 1 44 11 10 ASN CB C 38.786 . 1 45 11 10 ASN N N 119.420 . 1 46 12 11 ASN H H 8.442 . 1 47 12 11 ASN C C 175.080 . 1 48 12 11 ASN CA C 53.307 . 1 49 12 11 ASN CB C 38.789 . 1 50 12 11 ASN N N 119.615 . 1 51 13 12 ALA H H 8.191 . 1 52 13 12 ALA C C 175.107 . 1 53 13 12 ALA CA C 52.820 . 1 54 13 12 ALA CB C 19.015 . 1 55 13 12 ALA N N 123.916 . 1 56 14 13 PHE H H 8.191 . 1 57 14 13 PHE C C 177.600 . 1 58 14 13 PHE CA C 57.799 . 1 59 14 13 PHE CB C 39.241 . 1 60 14 13 PHE N N 119.061 . 1 61 15 14 GLY H H 8.290 . 1 62 15 14 GLY C C 176.591 . 1 63 15 14 GLY CA C 45.523 . 1 64 15 14 GLY N N 110.947 . 1 65 16 15 GLY H H 8.032 . 1 66 16 15 GLY C C 174.810 . 1 67 16 15 GLY CA C 45.301 . 1 68 16 15 GLY N N 108.594 . 1 69 17 16 GLY H H 8.279 . 1 70 17 16 GLY C C 174.791 . 1 71 17 16 GLY CA C 45.164 . 1 72 17 16 GLY N N 108.802 . 1 73 18 17 LYS H H 8.165 . 1 74 18 17 LYS C C 174.012 . 1 75 18 17 LYS CA C 56.081 . 1 76 18 17 LYS CB C 33.072 . 1 77 18 17 LYS N N 120.383 . 1 78 19 18 ASN H H 8.503 . 1 79 19 18 ASN C C 176.164 . 1 80 19 18 ASN CA C 51.347 . 1 81 19 18 ASN CB C 38.897 . 1 82 19 18 ASN N N 120.788 . 1 83 20 19 PRO CA C 63.579 . 1 84 20 19 PRO CB C 32.065 . 1 85 21 20 GLY H H 8.384 . 1 86 21 20 GLY C C 177.381 . 1 87 21 20 GLY CA C 45.255 . 1 88 21 20 GLY N N 108.744 . 1 89 22 21 ILE H H 7.927 . 1 90 22 21 ILE C C 174.172 . 1 91 22 21 ILE CA C 61.309 . 1 92 22 21 ILE CB C 38.706 . 1 93 22 21 ILE N N 119.660 . 1 94 23 22 GLY H H 8.498 . 1 95 23 22 GLY C C 176.835 . 1 96 23 22 GLY CA C 45.286 . 1 97 23 22 GLY N N 112.530 . 1 98 24 23 ASN H H 8.338 . 1 99 24 23 ASN C C 177.701 . 1 100 24 23 ASN CA C 53.120 . 1 101 24 23 ASN CB C 38.947 . 1 102 24 23 ASN N N 119.017 . 1 103 25 24 THR H H 8.255 . 1 104 25 24 THR C C 175.821 . 1 105 25 24 THR CA C 61.855 . 1 106 25 24 THR CB C 69.719 . 1 107 25 24 THR N N 114.220 . 1 108 26 25 SER H H 8.379 . 1 109 26 25 SER C C 174.909 . 1 110 26 25 SER CA C 58.649 . 1 111 26 25 SER CB C 63.881 . 1 112 26 25 SER N N 117.990 . 1 113 27 26 GLY H H 8.414 . 1 114 27 26 GLY C C 175.090 . 1 115 27 26 GLY CA C 45.323 . 1 116 27 26 GLY N N 111.059 . 1 117 28 27 ALA H H 8.224 . 1 118 28 27 ALA C C 174.100 . 1 119 28 27 ALA CA C 52.806 . 1 120 28 27 ALA N N 123.969 . 1 121 29 28 GLY H H 8.437 . 1 122 29 28 GLY C C 178.410 . 1 123 29 28 GLY CA C 45.326 . 1 124 29 28 GLY N N 108.421 . 1 125 30 29 SER H H 8.229 . 1 126 30 29 SER C C 174.455 . 1 127 30 29 SER CA C 58.421 . 1 128 30 29 SER CB C 63.812 . 1 129 30 29 SER N N 115.625 . 1 130 31 30 ASN H H 8.556 . 1 131 31 30 ASN C C 174.690 . 1 132 31 30 ASN CA C 53.527 . 1 133 31 30 ASN CB C 38.818 . 1 134 31 30 ASN N N 120.711 . 1 135 32 31 GLY H H 8.372 . 1 136 32 31 GLY C C 175.864 . 1 137 32 31 GLY CA C 45.546 . 1 138 32 31 GLY N N 109.456 . 1 139 33 32 SER H H 8.212 . 1 140 33 32 SER C C 174.424 . 1 141 33 32 SER CA C 58.418 . 1 142 33 32 SER CB C 63.924 . 1 143 33 32 SER N N 115.890 . 1 144 34 33 ALA H H 8.411 . 1 145 34 33 ALA C C 174.658 . 1 146 34 33 ALA CA C 52.962 . 1 147 34 33 ALA CB C 19.104 . 1 148 34 33 ALA N N 125.963 . 1 149 35 34 SER H H 8.253 . 1 150 35 34 SER C C 178.088 . 1 151 35 34 SER CA C 58.569 . 1 152 35 34 SER CB C 63.735 . 1 153 35 34 SER N N 114.593 . 1 154 36 35 SER H H 8.234 . 1 155 36 35 SER C C 174.867 . 1 156 36 35 SER CA C 58.540 . 1 157 36 35 SER CB C 63.728 . 1 158 36 35 SER N N 117.486 . 1 159 37 36 ASN H H 8.375 . 1 160 37 36 ASN C C 174.331 . 1 161 37 36 ASN CA C 53.344 . 1 162 37 36 ASN CB C 38.736 . 1 163 37 36 ASN N N 120.685 . 1 164 38 37 ARG H H 8.270 . 1 165 38 37 ARG C C 175.239 . 1 166 38 37 ARG CA C 56.445 . 1 167 38 37 ARG CB C 30.509 . 1 168 38 37 ARG N N 121.248 . 1 169 39 38 GLY H H 8.364 . 1 170 39 38 GLY C C 176.891 . 1 171 39 38 GLY CA C 45.355 . 1 172 39 38 GLY N N 109.458 . 1 173 40 39 ASN H H 8.265 . 1 174 40 39 ASN C C 173.949 . 1 175 40 39 ASN CA C 53.091 . 1 176 40 39 ASN CB C 39.001 . 1 177 40 39 ASN N N 118.714 . 1 178 41 40 SER H H 8.357 . 1 179 41 40 SER C C 175.629 . 1 180 41 40 SER CA C 58.665 . 1 181 41 40 SER CB C 63.585 . 1 182 41 40 SER N N 116.483 . 1 183 42 41 ASN H H 8.421 . 1 184 42 41 ASN C C 174.564 . 1 185 42 41 ASN CA C 53.473 . 1 186 42 41 ASN CB C 38.723 . 1 187 42 41 ASN N N 120.239 . 1 188 43 42 GLY H H 8.235 . 1 189 43 42 GLY C C 175.663 . 1 190 43 42 GLY CA C 45.494 . 1 191 43 42 GLY N N 108.765 . 1 192 44 43 TRP H H 7.953 . 1 193 44 43 TRP C C 173.981 . 1 194 44 43 TRP CA C 57.374 . 1 195 44 43 TRP N N 120.978 . 1 196 45 44 SER H H 8.034 . 1 197 45 44 SER C C 176.414 . 1 198 45 44 SER CA C 58.302 . 1 199 45 44 SER CB C 63.849 . 1 200 45 44 SER N N 117.500 . 1 201 46 45 TRP H H 7.969 . 1 202 46 45 TRP C C 174.140 . 1 203 46 45 TRP CA C 57.697 . 1 204 46 45 TRP CB C 29.409 . 1 205 46 45 TRP N N 122.619 . 1 206 47 46 SER H H 7.919 . 1 207 47 46 SER C C 176.382 . 1 208 47 46 SER CA C 58.439 . 1 209 47 46 SER CB C 63.791 . 1 210 47 46 SER N N 116.116 . 1 211 48 47 ASN H H 8.163 . 1 212 48 47 ASN C C 174.012 . 1 213 48 47 ASN CA C 53.072 . 1 214 48 47 ASN CB C 38.733 . 1 215 48 47 ASN N N 120.378 . 1 216 49 48 LYS H H 7.963 . 1 217 49 48 LYS C C 174.604 . 1 218 49 48 LYS CA C 54.255 . 1 219 49 48 LYS CB C 32.537 . 1 220 49 48 LYS N N 122.139 . 1 221 50 49 PRO CA C 63.155 . 1 222 50 49 PRO CB C 32.093 . 1 223 51 50 HIS H H 8.565 . 1 224 51 50 HIS C C 176.705 . 1 225 51 50 HIS CA C 55.047 . 1 226 51 50 HIS CB C 29.130 . 1 227 51 50 HIS N N 119.039 . 1 228 52 51 LYS H H 8.386 . 1 229 52 51 LYS C C 174.394 . 1 230 52 51 LYS CA C 56.617 . 1 231 52 51 LYS CB C 33.132 . 1 232 52 51 LYS N N 123.077 . 1 233 53 52 ASN H H 8.638 . 1 234 53 52 ASN C C 176.255 . 1 235 53 52 ASN CA C 53.313 . 1 236 53 52 ASN CB C 38.744 . 1 237 53 52 ASN N N 120.238 . 1 238 54 53 ASP H H 8.277 . 1 239 54 53 ASP C C 174.976 . 1 240 54 53 ASP CA C 54.227 . 1 241 54 53 ASP CB C 41.020 . 1 242 54 53 ASP N N 121.012 . 1 243 55 54 GLY H H 8.349 . 1 244 55 54 GLY C C 176.638 . 1 245 55 54 GLY CA C 45.307 . 1 246 55 54 GLY N N 108.732 . 1 247 56 55 PHE H H 8.118 . 1 248 56 55 PHE C C 173.924 . 1 249 56 55 PHE CA C 58.175 . 1 250 56 55 PHE CB C 39.495 . 1 251 56 55 PHE N N 120.044 . 1 252 57 56 HIS H H 8.397 . 1 253 57 56 HIS C C 175.676 . 1 254 57 56 HIS CA C 55.037 . 1 255 57 56 HIS CB C 29.214 . 1 256 57 56 HIS N N 120.860 . 1 257 58 57 SER H H 8.390 . 1 258 58 57 SER C C 174.156 . 1 259 58 57 SER CA C 58.420 . 1 260 58 57 SER CB C 63.778 . 1 261 58 57 SER N N 117.481 . 1 262 59 58 ASP H H 8.465 . 1 263 59 58 ASP C C 174.375 . 1 264 59 58 ASP CA C 53.455 . 1 265 59 58 ASP CB C 38.817 . 1 266 59 58 ASP N N 122.432 . 1 267 60 59 GLY H H 8.370 . 1 268 60 59 GLY C C 175.799 . 1 269 60 59 GLY CA C 45.546 . 1 270 60 59 GLY N N 109.332 . 1 271 61 60 SER H H 8.203 . 1 272 61 60 SER C C 174.424 . 1 273 61 60 SER CA C 58.604 . 1 274 61 60 SER CB C 63.892 . 1 275 61 60 SER N N 115.890 . 1 276 62 61 TYR H H 8.126 . 1 277 62 61 TYR C C 174.044 . 1 278 62 61 TYR CA C 58.090 . 1 279 62 61 TYR CB C 38.771 . 1 280 62 61 TYR N N 121.889 . 1 281 63 62 HIS H H 8.232 . 1 282 63 62 HIS C C 175.294 . 1 283 63 62 HIS CA C 54.874 . 1 284 63 62 HIS CB C 29.288 . 1 285 63 62 HIS N N 121.291 . 1 286 64 63 ILE H H 8.167 . 1 287 64 63 ILE C C 173.619 . 1 288 64 63 ILE CA C 61.184 . 1 289 64 63 ILE CB C 38.791 . 1 290 64 63 ILE N N 122.946 . 1 291 65 64 THR H H 8.206 . 1 292 65 64 THR C C 176.010 . 1 293 65 64 THR CA C 61.675 . 1 294 65 64 THR CB C 70.007 . 1 295 65 64 THR N N 119.239 . 1 296 66 65 PHE H H 8.374 . 1 297 66 65 PHE C C 173.717 . 1 298 66 65 PHE CA C 57.849 . 1 299 66 65 PHE CB C 39.727 . 1 300 66 65 PHE N N 123.902 . 1 301 67 66 HIS H H 8.478 . 1 302 67 66 HIS C C 175.265 . 1 303 67 66 HIS CA C 55.064 . 1 304 67 66 HIS CB C 29.126 . 1 305 67 66 HIS N N 121.830 . 1 306 68 67 GLY H H 7.765 . 1 307 68 67 GLY C C 174.332 . 1 308 68 67 GLY CA C 45.244 . 1 309 68 67 GLY N N 109.771 . 1 310 69 68 ASP H H 8.324 . 1 311 69 68 ASP C C 173.476 . 1 312 69 68 ASP CA C 54.058 . 1 313 69 68 ASP CB C 41.271 . 1 314 69 68 ASP N N 120.304 . 1 315 70 69 ASN H H 8.533 . 1 316 70 69 ASN C C 176.236 . 1 317 70 69 ASN CA C 53.584 . 1 318 70 69 ASN CB C 38.670 . 1 319 70 69 ASN N N 119.507 . 1 320 71 70 ASN H H 8.493 . 1 321 71 70 ASN C C 175.310 . 1 322 71 70 ASN CA C 53.521 . 1 323 71 70 ASN CB C 38.871 . 1 324 71 70 ASN N N 118.982 . 1 325 72 71 SER H H 8.172 . 1 326 72 71 SER C C 175.264 . 1 327 72 71 SER CA C 58.536 . 1 328 72 71 SER CB C 63.767 . 1 329 72 71 SER N N 115.879 . 1 330 73 72 LYS H H 8.202 . 1 331 73 72 LYS C C 174.186 . 1 332 73 72 LYS CA C 54.236 . 1 333 73 72 LYS CB C 32.488 . 1 334 73 72 LYS N N 124.181 . 1 335 74 73 PRO CA C 62.896 . 1 336 75 74 LYS H H 8.497 . 1 337 75 74 LYS C C 176.670 . 1 338 75 74 LYS CA C 54.169 . 1 339 75 74 LYS CB C 32.182 . 1 340 75 74 LYS N N 123.354 . 1 341 76 75 PRO CA C 63.471 . 1 342 76 75 PRO CB C 32.057 . 1 343 77 76 GLY H H 8.552 . 1 344 77 76 GLY C C 177.592 . 1 345 77 76 GLY CA C 45.301 . 1 346 77 76 GLY N N 109.959 . 1 347 78 77 GLY H H 8.291 . 1 348 78 77 GLY C C 174.791 . 1 349 78 77 GLY CA C 45.365 . 1 350 78 77 GLY N N 108.746 . 1 351 79 78 ASN H H 8.501 . 1 352 79 78 ASN C C 174.103 . 1 353 79 78 ASN CA C 53.187 . 1 354 79 78 ASN CB C 39.052 . 1 355 79 78 ASN N N 118.981 . 1 356 80 79 SER H H 8.418 . 1 357 80 79 SER C C 175.659 . 1 358 80 79 SER CA C 58.901 . 1 359 80 79 SER CB C 63.702 . 1 360 80 79 SER N N 116.500 . 1 361 81 80 GLY H H 8.452 . 1 362 81 80 GLY C C 175.152 . 1 363 81 80 GLY CA C 45.428 . 1 364 81 80 GLY N N 110.615 . 1 365 82 81 ASN H H 8.291 . 1 366 82 81 ASN C C 173.975 . 1 367 82 81 ASN CA C 53.262 . 1 368 82 81 ASN CB C 38.811 . 1 369 82 81 ASN N N 118.834 . 1 370 83 82 ARG H H 8.404 . 1 371 83 82 ARG C C 175.433 . 1 372 83 82 ARG CA C 56.422 . 1 373 83 82 ARG CB C 30.520 . 1 374 83 82 ARG N N 121.439 . 1 375 84 83 GLY H H 8.420 . 1 376 84 83 GLY C C 176.906 . 1 377 84 83 GLY CA C 45.306 . 1 378 84 83 GLY N N 109.588 . 1 379 85 84 ASN H H 8.353 . 1 380 85 84 ASN C C 173.931 . 1 381 85 84 ASN CA C 53.199 . 1 382 85 84 ASN CB C 38.947 . 1 383 85 84 ASN N N 118.726 . 1 384 86 85 ASN H H 8.532 . 1 385 86 85 ASN C C 175.218 . 1 386 86 85 ASN CA C 53.458 . 1 387 86 85 ASN CB C 38.908 . 1 388 86 85 ASN N N 119.235 . 1 389 87 86 GLY H H 8.392 . 1 390 87 86 GLY C C 175.799 . 1 391 87 86 GLY CA C 45.542 . 1 392 87 86 GLY N N 109.270 . 1 393 88 87 ASP H H 8.248 . 1 394 88 87 ASP C C 174.202 . 1 395 88 87 ASP CA C 54.302 . 1 396 88 87 ASP CB C 41.034 . 1 397 88 87 ASP N N 120.390 . 1 398 89 88 GLY H H 8.436 . 1 399 89 88 GLY C C 176.981 . 1 400 89 88 GLY CA C 45.507 . 1 401 89 88 GLY N N 109.583 . 1 402 90 89 ALA H H 8.196 . 1 403 90 89 ALA C C 174.186 . 1 404 90 89 ALA CA C 52.713 . 1 405 90 89 ALA CB C 19.164 . 1 406 90 89 ALA N N 123.931 . 1 stop_ save_