data_4239 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-specific 1H, 13C and 15N assignment of the single-stranded DNA binding protein of the bacteriophage f29 ; _BMRB_accession_number 4239 _BMRB_flat_file_name bmr4239.str _Entry_type original _Submission_date 1998-10-08 _Accession_date 1998-10-08 _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 Pineda-Lucena A. . . 2 Vuister G. W. . 3 Hilbers C. W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 402 "13C chemical shifts" 220 "15N chemical shifts" 88 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-03-17 original author . stop_ _Original_release_date 2000-03-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Sequence-specific 1H, 13C and 15N assignment of the single-stranded DNA binding protein of the bacteriophage phi 29. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 98407983 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pineda-Lucena A. . . 2 Vuister G. W. . 3 Hilbers C. W. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 13 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 303 _Page_last 304 _Year 1999 _Details . loop_ _Keyword CHAPS f29 'NMR assignments' ssDNA stop_ save_ ################################## # Molecular system description # ################################## save_f29-SSB_protein _Saveframe_category molecular_system _Mol_system_name 'f29-SSB bacteriophage' _Abbreviation_common f29-SSB _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label f29-SSB $f29-SSB stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details ; The data reported here represents the single-stranded DNA binding domain (residues 1-124) of the bacteriophage f29 ; save_ ######################## # Monomeric polymers # ######################## save_f29-SSB _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common f29-SSB _Name_variant p5 _Abbreviation_common f29-SSB _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; MENTNIVKATFDTETLEGQI KIFNAQTGGGQSFKNLPDGT IIEANAIAQYKQVSDTYGDA KEETVTTIFAADGSLYSAIS KTVAEAASDLIDLVTRHKLE TFKVKVVQGTSSKGNVWFSL QLSL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 ASN 4 THR 5 ASN 6 ILE 7 VAL 8 LYS 9 ALA 10 THR 11 PHE 12 ASP 13 THR 14 GLU 15 THR 16 LEU 17 GLU 18 GLY 19 GLN 20 ILE 21 LYS 22 ILE 23 PHE 24 ASN 25 ALA 26 GLN 27 THR 28 GLY 29 GLY 30 GLY 31 GLN 32 SER 33 PHE 34 LYS 35 ASN 36 LEU 37 PRO 38 ASP 39 GLY 40 THR 41 ILE 42 ILE 43 GLU 44 ALA 45 ASN 46 ALA 47 ILE 48 ALA 49 GLN 50 TYR 51 LYS 52 GLN 53 VAL 54 SER 55 ASP 56 THR 57 TYR 58 GLY 59 ASP 60 ALA 61 LYS 62 GLU 63 GLU 64 THR 65 VAL 66 THR 67 THR 68 ILE 69 PHE 70 ALA 71 ALA 72 ASP 73 GLY 74 SER 75 LEU 76 TYR 77 SER 78 ALA 79 ILE 80 SER 81 LYS 82 THR 83 VAL 84 ALA 85 GLU 86 ALA 87 ALA 88 SER 89 ASP 90 LEU 91 ILE 92 ASP 93 LEU 94 VAL 95 THR 96 ARG 97 HIS 98 LYS 99 LEU 100 GLU 101 THR 102 PHE 103 LYS 104 VAL 105 LYS 106 VAL 107 VAL 108 GLN 109 GLY 110 THR 111 SER 112 SER 113 LYS 114 GLY 115 ASN 116 VAL 117 TRP 118 PHE 119 SER 120 LEU 121 GLN 122 LEU 123 SER 124 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 EMBL CAA24483 "unnamed protein product [Bacillus phage phi29]" 100.00 124 99.19 100.00 2.25e-81 GB AAA88475 "gene 5A product [Bacillus phage PZA]" 100.00 124 98.39 99.19 2.11e-80 GB ACE96026 "single stranded DNA-binding protein [Bacillus phage phi29]" 100.00 124 99.19 100.00 2.25e-81 PRF 1112171H "ORF 5A" 100.00 124 98.39 99.19 2.11e-80 REF YP_002004532 "single stranded DNA-binding protein [Bacillus phage phi29]" 100.00 124 99.19 100.00 2.25e-81 SP P06953 "RecName: Full=Single-strand-binding protein; Short=SSB; AltName: Full=Early protein GP5 [Bacillus phage PZA]" 100.00 124 98.39 99.19 2.11e-80 SP Q38504 "RecName: Full=Single-strand-binding protein; Short=SSB; AltName: Full=Early protein GP5 [Bacillus phage phi29]" 100.00 124 99.19 100.00 2.25e-81 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $f29-SSB 'bacteriophage f29' . . . . . 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 $f29-SSB 'recombinant technology' 'E. coli' Escherichia coli PC-V3059 pGM26 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $f29-SSB 0.85 mM . 'sodium phosphate' 10 mM . D2O 100 % . stop_ save_ save_sample_two _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $f29-SSB 0.85 mM [U-15N] 'sodium phosphate' 10 mM . CHAPS 5 mM . D2O 10 % . H2O 90 % . stop_ save_ save_sample_three _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $f29-SSB 0.85 mM '[U-15N], reverse labeled for Thr/Leu' 'sodium phosphate' 10 mM . CHAPS 5 mM . D2O 10 % . H2O 90 % . stop_ save_ save_sample_four _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $f29-SSB 0.85 mM '[U-15N; U-13C], reverse labeled for Thr/Leu' 'sodium phosphate' 10 mM . CHAPS 5 mM . D2O 10 % . H2O 90 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity Inova' _Field_strength 500 _Details . save_ save_NMR_spectrometer_two _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity Inova' _Field_strength 750 _Details . save_ ####################### # Sample conditions # ####################### save_experimental_conditions_f29-SSB _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . n/a temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference _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 H2O C 13 protons ppm 43.2 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 external direct . . . . H2O N 15 protons ppm 118.04 . 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_chemical_shift_assignment_f29-SSB _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one $sample_two $sample_three $sample_four stop_ _Sample_conditions_label $experimental_conditions_f29-SSB _Chem_shift_reference_set_label $chem_shift_reference _Mol_system_component_name f29-SSB _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 . 1 MET HA H 4.065 . . 2 . 1 MET HB2 H 2.144 . . 3 . 1 MET HB3 H 2.144 . . 4 . 1 MET HG2 H 2.614 . . 5 . 1 MET HG3 H 2.614 . . 6 . 1 MET HE H 2.114 . . 7 . 1 MET C C 172.400 . . 8 . 1 MET CA C 54.886 . . 9 . 1 MET CB C 30.892 . . 10 . 1 MET CE C 16.593 . . 11 . 2 GLU HA H 4.416 . . 12 . 2 GLU HB2 H 2.076 . . 13 . 2 GLU HB3 H 1.965 . . 14 . 2 GLU HG2 H 2.292 . . 15 . 2 GLU HG3 H 2.292 . . 16 . 2 GLU C C 175.027 . . 17 . 2 GLU CA C 56.129 . . 18 . 2 GLU CB C 30.559 . . 19 . 3 ASN H H 8.751 . . 20 . 3 ASN HA H 4.762 . . 21 . 3 ASN HB2 H 2.891 . . 22 . 3 ASN HB3 H 2.811 . . 23 . 3 ASN C C 174.597 . . 24 . 3 ASN CA C 53.177 . . 25 . 3 ASN CB C 38.509 . . 26 . 3 ASN N N 117.416 . . 27 . 4 THR H H 8.177 . . 28 . 4 THR HA H 4.457 . . 29 . 4 THR HB H 4.227 . . 30 . 4 THR HG2 H 1.214 . . 31 . 4 THR N N 111.371 . . 32 . 5 ASN H H 8.616 . . 33 . 5 ASN HA H 4.742 . . 34 . 5 ASN HB2 H 2.852 . . 35 . 5 ASN HB3 H 2.780 . . 36 . 5 ASN C C 173.972 . . 37 . 5 ASN CA C 53.021 . . 38 . 5 ASN CB C 38.645 . . 39 . 5 ASN N N 117.936 . . 40 . 6 ILE H H 8.214 . . 41 . 6 ILE HA H 4.148 . . 42 . 6 ILE C C 174.210 . . 43 . 6 ILE CA C 62.188 . . 44 . 6 ILE N N 119.315 . . 45 . 7 VAL H H 8.189 . . 46 . 7 VAL HA H 4.082 . . 47 . 7 VAL N N 124.244 . . 48 . 8 LYS H H 8.696 . . 49 . 8 LYS HA H 4.583 . . 50 . 8 LYS HB2 H 2.015 . . 51 . 8 LYS HB3 H 2.015 . . 52 . 8 LYS HG2 H 1.494 . . 53 . 8 LYS HG3 H 1.494 . . 54 . 8 LYS C C 172.892 . . 55 . 8 LYS CA C 55.818 . . 56 . 8 LYS CB C 35.196 . . 57 . 8 LYS N N 124.706 . . 58 . 9 ALA H H 8.781 . . 59 . 9 ALA HA H 5.095 . . 60 . 9 ALA HB H 0.950 . . 61 . 9 ALA C C 175.079 . . 62 . 9 ALA CA C 51.468 . . 63 . 9 ALA CB C 21.590 . . 64 . 9 ALA N N 119.158 . . 65 . 10 THR H H 8.225 . . 66 . 10 THR N N 103.885 . . 67 . 11 PHE H H 6.492 . . 68 . 11 PHE HA H 5.085 . . 69 . 11 PHE HB2 H 3.170 . . 70 . 11 PHE HB3 H 3.170 . . 71 . 11 PHE HD1 H 7.041 . . 72 . 11 PHE HE1 H 6.789 . . 73 . 11 PHE C C 172.616 . . 74 . 11 PHE CA C 52.711 . . 75 . 11 PHE CB C 40.777 . . 76 . 11 PHE N N 112.880 . . 77 . 12 ASP H H 8.653 . . 78 . 12 ASP HA H 4.610 . . 79 . 12 ASP HB2 H 2.968 . . 80 . 12 ASP HB3 H 2.709 . . 81 . 12 ASP N N 116.467 . . 82 . 13 THR H H 7.066 . . 83 . 13 THR HA H 4.686 . . 84 . 13 THR HB H 4.468 . . 85 . 13 THR HG2 H 1.342 . . 86 . 13 THR N N 105.812 . . 87 . 14 GLU H H 8.732 . . 88 . 14 GLU HA H 4.439 . . 89 . 14 GLU HB2 H 2.076 . . 90 . 14 GLU HB3 H 1.965 . . 91 . 14 GLU HG2 H 2.292 . . 92 . 14 GLU HG3 H 2.292 . . 93 . 14 GLU C C 177.219 . . 94 . 14 GLU CA C 56.129 . . 95 . 14 GLU CB C 30.559 . . 96 . 14 GLU N N 116.748 . . 97 . 16 LEU HA H 4.681 . . 98 . 16 LEU C C 173.992 . . 99 . 16 LEU CA C 59.702 . . 100 . 17 GLU H H 8.745 . . 101 . 17 GLU HA H 3.873 . . 102 . 17 GLU HB2 H 1.987 . . 103 . 17 GLU HB3 H 1.865 . . 104 . 17 GLU HG2 H 2.313 . . 105 . 17 GLU HG3 H 2.235 . . 106 . 17 GLU C C 178.653 . . 107 . 17 GLU CA C 59.702 . . 108 . 17 GLU CB C 36.561 . . 109 . 17 GLU N N 113.238 . . 110 . 18 GLY H H 8.238 . . 111 . 18 GLY HA2 H 3.996 . . 112 . 18 GLY HA3 H 3.778 . . 113 . 18 GLY C C 175.094 . . 114 . 18 GLY CA C 46.961 . . 115 . 18 GLY N N 107.608 . . 116 . 19 GLN H H 8.417 . . 117 . 19 GLN HA H 3.980 . . 118 . 19 GLN HB2 H 2.249 . . 119 . 19 GLN HB3 H 2.249 . . 120 . 19 GLN HG2 H 2.613 . . 121 . 19 GLN HG3 H 2.440 . . 122 . 19 GLN C C 178.810 . . 123 . 19 GLN CA C 58.925 . . 124 . 19 GLN N N 118.730 . . 125 . 21 LYS H H 7.457 . . 126 . 21 LYS HA H 4.052 . . 127 . 21 LYS C C 178.542 . . 128 . 21 LYS CA C 60.168 . . 129 . 21 LYS N N 117.427 . . 130 . 22 ILE H H 7.829 . . 131 . 22 ILE HA H 3.883 . . 132 . 22 ILE C C 176.404 . . 133 . 22 ILE CA C 62.343 . . 134 . 22 ILE N N 114.656 . . 135 . 23 PHE H H 8.458 . . 136 . 23 PHE HA H 4.308 . . 137 . 23 PHE HB2 H 3.234 . . 138 . 23 PHE HB3 H 3.234 . . 139 . 23 PHE HD1 H 7.341 . . 140 . 23 PHE HE1 H 7.255 . . 141 . 23 PHE C C 178.086 . . 142 . 23 PHE CA C 60.945 . . 143 . 23 PHE CB C 38.968 . . 144 . 23 PHE N N 119.792 . . 145 . 24 ASN H H 8.854 . . 146 . 24 ASN HA H 4.319 . . 147 . 24 ASN HB2 H 3.090 . . 148 . 24 ASN HB3 H 2.846 . . 149 . 24 ASN C C 176.918 . . 150 . 24 ASN CA C 55.197 . . 151 . 24 ASN CB C 37.501 . . 152 . 24 ASN ND2 N 116.584 . . 153 . 25 ALA H H 8.037 . . 154 . 25 ALA HA H 4.017 . . 155 . 25 ALA HB H 1.633 . . 156 . 25 ALA C C 178.426 . . 157 . 25 ALA CA C 54.420 . . 158 . 25 ALA CB C 17.878 . . 159 . 25 ALA N N 119.808 . . 160 . 26 GLN H H 8.146 . . 161 . 26 GLN HA H 4.068 . . 162 . 26 GLN HB2 H 1.976 . . 163 . 26 GLN HB3 H 1.887 . . 164 . 26 GLN HG2 H 2.224 . . 165 . 26 GLN HG3 H 2.224 . . 166 . 26 GLN C C 177.062 . . 167 . 26 GLN CA C 57.682 . . 168 . 26 GLN CB C 34.277 . . 169 . 26 GLN N N 113.238 . . 170 . 27 THR H H 7.646 . . 171 . 27 THR HA H 4.180 . . 172 . 27 THR HG2 H 0.947 . . 173 . 27 THR N N 107.125 . . 174 . 28 GLY H H 7.762 . . 175 . 28 GLY HA2 H 4.039 . . 176 . 28 GLY HA3 H 3.835 . . 177 . 28 GLY C C 174.029 . . 178 . 28 GLY CA C 45.619 . . 179 . 28 GLY N N 107.072 . . 180 . 29 GLY H H 8.049 . . 181 . 29 GLY HA2 H 3.903 . . 182 . 29 GLY HA3 H 3.903 . . 183 . 29 GLY C C 173.464 . . 184 . 29 GLY CA C 45.457 . . 185 . 29 GLY N N 105.702 . . 186 . 30 GLY H H 8.220 . . 187 . 30 GLY HA2 H 3.957 . . 188 . 30 GLY HA3 H 3.740 . . 189 . 30 GLY C C 172.899 . . 190 . 30 GLY CA C 44.840 . . 191 . 30 GLY N N 105.422 . . 192 . 31 GLN H H 8.238 . . 193 . 31 GLN HA H 4.477 . . 194 . 31 GLN HB2 H 1.846 . . 195 . 31 GLN HB3 H 1.846 . . 196 . 31 GLN HG2 H 2.357 . . 197 . 31 GLN HG3 H 2.357 . . 198 . 31 GLN C C 174.992 . . 199 . 31 GLN CA C 54.886 . . 200 . 31 GLN CB C 33.889 . . 201 . 31 GLN N N 117.782 . . 202 . 32 SER H H 8.598 . . 203 . 32 SER HA H 4.996 . . 204 . 32 SER HB2 H 4.116 . . 205 . 32 SER HB3 H 3.872 . . 206 . 32 SER C C 175.685 . . 207 . 32 SER CA C 56.906 . . 208 . 32 SER CB C 63.782 . . 209 . 32 SER N N 113.602 . . 210 . 33 PHE H H 8.427 . . 211 . 33 PHE HA H 4.427 . . 212 . 33 PHE HB2 H 2.647 . . 213 . 33 PHE HB3 H 2.647 . . 214 . 33 PHE HD1 H 7.004 . . 215 . 33 PHE HE1 H 6.940 . . 216 . 33 PHE C C 175.661 . . 217 . 33 PHE CA C 58.148 . . 218 . 33 PHE CB C 38.319 . . 219 . 33 PHE N N 121.091 . . 220 . 34 LYS H H 8.018 . . 221 . 34 LYS HA H 3.909 . . 222 . 34 LYS HB2 H 1.768 . . 223 . 34 LYS HB3 H 1.709 . . 224 . 34 LYS HG2 H 1.326 . . 225 . 34 LYS HG3 H 1.326 . . 226 . 34 LYS C C 175.677 . . 227 . 34 LYS CA C 57.993 . . 228 . 34 LYS CB C 32.222 . . 229 . 34 LYS N N 113.655 . . 230 . 35 ASN H H 7.737 . . 231 . 35 ASN HA H 4.630 . . 232 . 35 ASN N N 112.293 . . 233 . 36 LEU HA H 4.681 . . 234 . 37 PRO HA H 4.384 . . 235 . 37 PRO HB2 H 2.301 . . 236 . 37 PRO HB3 H 1.968 . . 237 . 37 PRO HD2 H 3.651 . . 238 . 37 PRO HD3 H 3.980 . . 239 . 37 PRO C C 176.781 . . 240 . 37 PRO CA C 61.877 . . 241 . 38 ASP H H 8.798 . . 242 . 38 ASP HA H 4.248 . . 243 . 38 ASP HB2 H 2.502 . . 244 . 38 ASP HB3 H 2.690 . . 245 . 38 ASP C C 176.202 . . 246 . 38 ASP CA C 55.973 . . 247 . 38 ASP CB C 41.802 . . 248 . 38 ASP N N 120.220 . . 249 . 39 GLY H H 8.394 . . 250 . 39 GLY HA2 H 4.234 . . 251 . 39 GLY HA3 H 3.681 . . 252 . 39 GLY CA C 44.957 . . 253 . 39 GLY N N 112.703 . . 254 . 40 THR HA H 5.410 . . 255 . 40 THR HB H 3.765 . . 256 . 40 THR HG2 H 0.584 . . 257 . 41 ILE H H 9.666 . . 258 . 41 ILE N N 123.850 . . 259 . 42 ILE H H 9.337 . . 260 . 42 ILE HA H 4.165 . . 261 . 42 ILE C C 174.251 . . 262 . 42 ILE CA C 62.499 . . 263 . 42 ILE N N 126.398 . . 264 . 43 GLU H H 8.824 . . 265 . 43 GLU HA H 4.445 . . 266 . 43 GLU HB2 H 2.076 . . 267 . 43 GLU HB3 H 1.985 . . 268 . 43 GLU HG2 H 2.292 . . 269 . 43 GLU HG3 H 2.292 . . 270 . 43 GLU C C 173.723 . . 271 . 43 GLU CA C 56.129 . . 272 . 43 GLU CB C 30.559 . . 273 . 43 GLU N N 125.889 . . 274 . 44 ALA H H 9.202 . . 275 . 44 ALA HA H 4.860 . . 276 . 44 ALA HB H 0.897 . . 277 . 44 ALA C C 173.652 . . 278 . 44 ALA CA C 51.069 . . 279 . 44 ALA CB C 23.891 . . 280 . 44 ALA N N 129.665 . . 281 . 45 ASN H H 8.409 . . 282 . 45 ASN HA H 4.887 . . 283 . 45 ASN HB2 H 2.983 . . 284 . 45 ASN HB3 H 2.655 . . 285 . 45 ASN C C 174.681 . . 286 . 45 ASN CA C 51.779 . . 287 . 45 ASN CB C 40.609 . . 288 . 45 ASN N N 108.516 . . 289 . 46 ALA H H 7.744 . . 290 . 46 ALA HA H 4.946 . . 291 . 46 ALA HB H 1.412 . . 292 . 46 ALA C C 175.191 . . 293 . 46 ALA CA C 52.089 . . 294 . 46 ALA CB C 21.615 . . 295 . 46 ALA N N 114.026 . . 296 . 47 ILE H H 8.525 . . 297 . 47 ILE HA H 5.500 . . 298 . 47 ILE HB H 1.509 . . 299 . 47 ILE N N 116.211 . . 300 . 48 ALA H H 9.526 . . 301 . 48 ALA HA H 5.307 . . 302 . 48 ALA HB H 1.765 . . 303 . 48 ALA C C 173.773 . . 304 . 48 ALA CA C 51.157 . . 305 . 48 ALA CB C 24.504 . . 306 . 48 ALA N N 123.369 . . 307 . 49 GLN H H 9.318 . . 308 . 49 GLN HA H 5.917 . . 309 . 49 GLN HB2 H 2.070 . . 310 . 49 GLN HB3 H 2.070 . . 311 . 49 GLN HG2 H 2.306 . . 312 . 49 GLN HG3 H 2.306 . . 313 . 49 GLN C C 174.496 . . 314 . 49 GLN CA C 53.798 . . 315 . 49 GLN CB C 34.906 . . 316 . 49 GLN N N 115.282 . . 317 . 50 TYR H H 8.491 . . 318 . 50 TYR HA H 5.348 . . 319 . 50 TYR HB2 H 3.135 . . 320 . 50 TYR HB3 H 3.135 . . 321 . 50 TYR HD1 H 6.760 . . 322 . 50 TYR HE1 H 6.669 . . 323 . 50 TYR C C 171.513 . . 324 . 50 TYR CA C 55.197 . . 325 . 50 TYR CB C 40.193 . . 326 . 50 TYR N N 117.085 . . 327 . 51 LYS H H 8.952 . . 328 . 51 LYS HA H 5.117 . . 329 . 51 LYS HB2 H 1.805 . . 330 . 51 LYS HB3 H 1.805 . . 331 . 51 LYS HG2 H 1.433 . . 332 . 51 LYS HG3 H 1.353 . . 333 . 51 LYS HD2 H 1.585 . . 334 . 51 LYS HD3 H 1.513 . . 335 . 51 LYS C C 175.464 . . 336 . 51 LYS CA C 54.730 . . 337 . 51 LYS CB C 34.281 . . 338 . 51 LYS N N 116.976 . . 339 . 52 GLN H H 8.885 . . 340 . 52 GLN HA H 4.761 . . 341 . 52 GLN HB2 H 2.019 . . 342 . 52 GLN HB3 H 2.019 . . 343 . 52 GLN HG2 H 2.338 . . 344 . 52 GLN HG3 H 2.338 . . 345 . 52 GLN C C 174.073 . . 346 . 52 GLN CA C 54.730 . . 347 . 52 GLN CB C 33.558 . . 348 . 52 GLN N N 118.700 . . 349 . 53 VAL H H 8.623 . . 350 . 53 VAL HA H 4.432 . . 351 . 53 VAL HB H 2.067 . . 352 . 53 VAL HG1 H 0.980 . . 353 . 53 VAL HG2 H 0.937 . . 354 . 53 VAL C C 175.111 . . 355 . 53 VAL CA C 61.877 . . 356 . 53 VAL CB C 32.613 . . 357 . 53 VAL CG1 C 22.454 . . 358 . 53 VAL CG2 C 20.794 . . 359 . 53 VAL N N 121.526 . . 360 . 54 SER H H 8.561 . . 361 . 54 SER HA H 4.638 . . 362 . 54 SER HB2 H 3.873 . . 363 . 54 SER HB3 H 3.771 . . 364 . 54 SER C C 173.287 . . 365 . 54 SER CA C 57.216 . . 366 . 54 SER CB C 64.355 . . 367 . 54 SER N N 118.177 . . 368 . 55 ASP H H 8.537 . . 369 . 55 ASP HA H 4.767 . . 370 . 55 ASP HB2 H 2.836 . . 371 . 55 ASP HB3 H 2.711 . . 372 . 55 ASP C C 175.927 . . 373 . 55 ASP CA C 53.798 . . 374 . 55 ASP CB C 40.864 . . 375 . 55 ASP N N 120.702 . . 376 . 56 THR H H 8.018 . . 377 . 56 THR HA H 4.090 . . 378 . 56 THR HB H 3.960 . . 379 . 56 THR HG2 H 0.980 . . 380 . 56 THR N N 111.958 . . 381 . 57 TYR H H 8.336 . . 382 . 57 TYR HA H 4.577 . . 383 . 57 TYR HB2 H 3.214 . . 384 . 57 TYR HB3 H 2.967 . . 385 . 57 TYR HD1 H 7.145 . . 386 . 57 TYR HE1 H 6.854 . . 387 . 57 TYR C C 175.425 . . 388 . 57 TYR CA C 57.682 . . 389 . 57 TYR CB C 37.787 . . 390 . 57 TYR N N 118.793 . . 391 . 58 GLY H H 8.128 . . 392 . 58 GLY HA2 H 4.070 . . 393 . 58 GLY HA3 H 3.843 . . 394 . 58 GLY C C 172.899 . . 395 . 58 GLY CA C 45.346 . . 396 . 58 GLY N N 108.009 . . 397 . 59 ASP H H 8.153 . . 398 . 59 ASP HA H 4.615 . . 399 . 59 ASP HB2 H 2.703 . . 400 . 59 ASP HB3 H 2.620 . . 401 . 59 ASP C C 174.819 . . 402 . 59 ASP CA C 53.798 . . 403 . 59 ASP CB C 40.972 . . 404 . 59 ASP N N 118.689 . . 405 . 60 ALA H H 8.238 . . 406 . 60 ALA HA H 4.382 . . 407 . 60 ALA HB H 1.366 . . 408 . 60 ALA C C 176.646 . . 409 . 60 ALA CA C 52.245 . . 410 . 60 ALA CB C 18.505 . . 411 . 60 ALA N N 121.760 . . 412 . 61 LYS H H 8.238 . . 413 . 61 LYS HA H 4.415 . . 414 . 61 LYS HB2 H 1.846 . . 415 . 61 LYS HB3 H 1.846 . . 416 . 61 LYS HG2 H 1.426 . . 417 . 61 LYS HG3 H 1.426 . . 418 . 61 LYS HD2 H 1.702 . . 419 . 61 LYS HD3 H 1.702 . . 420 . 61 LYS HE2 H 3.009 . . 421 . 61 LYS HE3 H 3.009 . . 422 . 61 LYS C C 174.996 . . 423 . 61 LYS CA C 55.663 . . 424 . 61 LYS CB C 33.537 . . 425 . 61 LYS N N 117.735 . . 426 . 62 GLU H H 8.458 . . 427 . 62 GLU HA H 4.633 . . 428 . 62 GLU HB2 H 1.958 . . 429 . 62 GLU HB3 H 1.958 . . 430 . 62 GLU HG2 H 2.213 . . 431 . 62 GLU HG3 H 2.130 . . 432 . 62 GLU C C 175.070 . . 433 . 62 GLU CA C 55.663 . . 434 . 62 GLU CB C 36.579 . . 435 . 62 GLU N N 118.550 . . 436 . 63 GLU H H 8.531 . . 437 . 63 GLU HA H 4.674 . . 438 . 63 GLU HB2 H 1.878 . . 439 . 63 GLU HB3 H 1.878 . . 440 . 63 GLU HG2 H 2.221 . . 441 . 63 GLU HG3 H 2.221 . . 442 . 63 GLU C C 174.678 . . 443 . 63 GLU CA C 54.575 . . 444 . 63 GLU CB C 35.719 . . 445 . 63 GLU N N 119.979 . . 446 . 64 THR HA H 4.351 . . 447 . 64 THR HB H 3.842 . . 448 . 64 THR HG2 H 0.951 . . 449 . 66 THR HA H 4.813 . . 450 . 66 THR HB H 3.802 . . 451 . 66 THR HG2 H 0.960 . . 452 . 68 ILE H H 8.340 . . 453 . 68 ILE HA H 4.603 . . 454 . 68 ILE C C 174.791 . . 455 . 68 ILE CA C 61.566 . . 456 . 68 ILE CB C 20.939 . . 457 . 68 ILE N N 116.244 . . 458 . 69 PHE H H 8.409 . . 459 . 69 PHE HA H 5.030 . . 460 . 69 PHE HB2 H 3.425 . . 461 . 69 PHE HB3 H 3.155 . . 462 . 69 PHE C C 173.840 . . 463 . 69 PHE CA C 55.994 . . 464 . 69 PHE N N 122.881 . . 465 . 70 ALA H H 8.812 . . 466 . 70 ALA HA H 4.716 . . 467 . 70 ALA HB H 1.744 . . 468 . 70 ALA C C 178.276 . . 469 . 70 ALA CA C 51.623 . . 470 . 70 ALA CB C 20.896 . . 471 . 70 ALA N N 123.764 . . 472 . 71 ALA H H 9.140 . . 473 . 71 ALA HA H 4.141 . . 474 . 71 ALA HB H 1.296 . . 475 . 71 ALA C C 177.096 . . 476 . 71 ALA CA C 53.954 . . 477 . 71 ALA CB C 17.359 . . 478 . 71 ALA N N 122.826 . . 479 . 72 ASP H H 8.073 . . 480 . 72 ASP HA H 4.507 . . 481 . 72 ASP HB2 H 3.181 . . 482 . 72 ASP HB3 H 2.638 . . 483 . 72 ASP C C 176.270 . . 484 . 72 ASP CA C 53.177 . . 485 . 72 ASP CB C 39.458 . . 486 . 72 ASP N N 112.588 . . 487 . 73 GLY H H 7.963 . . 488 . 73 GLY HA2 H 4.458 . . 489 . 73 GLY HA3 H 3.713 . . 490 . 73 GLY C C 174.029 . . 491 . 73 GLY CA C 44.816 . . 492 . 73 GLY N N 105.568 . . 493 . 74 SER H H 8.323 . . 494 . 74 SER HA H 4.338 . . 495 . 74 SER HB2 H 3.846 . . 496 . 74 SER HB3 H 3.846 . . 497 . 74 SER C C 171.048 . . 498 . 74 SER CA C 59.081 . . 499 . 74 SER CB C 63.580 . . 500 . 74 SER N N 115.720 . . 501 . 75 LEU H H 8.116 . . 502 . 75 LEU HA H 5.070 . . 503 . 75 LEU N N 119.000 . . 504 . 76 TYR H H 8.433 . . 505 . 76 TYR HA H 5.212 . . 506 . 76 TYR HB2 H 2.630 . . 507 . 76 TYR HB3 H 2.630 . . 508 . 76 TYR C C 174.646 . . 509 . 76 TYR CA C 56.129 . . 510 . 76 TYR CB C 41.977 . . 511 . 76 TYR N N 117.250 . . 512 . 77 SER H H 8.690 . . 513 . 77 SER HA H 6.077 . . 514 . 77 SER HB2 H 3.556 . . 515 . 77 SER HB3 H 3.441 . . 516 . 77 SER C C 172.199 . . 517 . 77 SER CA C 56.750 . . 518 . 77 SER CB C 66.402 . . 519 . 77 SER N N 114.465 . . 520 . 78 ALA H H 8.783 . . 521 . 78 ALA HA H 4.591 . . 522 . 78 ALA HB H 0.887 . . 523 . 78 ALA C C 175.042 . . 524 . 78 ALA CA C 50.846 . . 525 . 78 ALA CB C 22.950 . . 526 . 78 ALA N N 120.421 . . 527 . 83 VAL H H 7.762 . . 528 . 83 VAL HA H 3.581 . . 529 . 83 VAL HB H 1.928 . . 530 . 83 VAL HG1 H 0.804 . . 531 . 83 VAL HG2 H 0.804 . . 532 . 83 VAL C C 175.925 . . 533 . 83 VAL CA C 66.227 . . 534 . 83 VAL CG1 C 20.952 . . 535 . 83 VAL CG2 C 20.952 . . 536 . 83 VAL N N 121.030 . . 537 . 84 ALA H H 8.378 . . 538 . 84 ALA HA H 3.720 . . 539 . 84 ALA HB H 1.500 . . 540 . 84 ALA C C 179.918 . . 541 . 84 ALA CA C 54.575 . . 542 . 84 ALA CB C 17.039 . . 543 . 84 ALA N N 118.997 . . 544 . 85 GLU H H 8.079 . . 545 . 85 GLU HA H 4.084 . . 546 . 85 GLU HB2 H 2.311 . . 547 . 85 GLU HB3 H 2.311 . . 548 . 85 GLU HG2 H 2.561 . . 549 . 85 GLU HG3 H 2.561 . . 550 . 85 GLU C C 178.023 . . 551 . 85 GLU CA C 58.925 . . 552 . 85 GLU CB C 29.307 . . 553 . 85 GLU CG C 36.425 . . 554 . 85 GLU N N 115.198 . . 555 . 86 ALA H H 7.530 . . 556 . 86 ALA HA H 4.373 . . 557 . 86 ALA HB H 1.736 . . 558 . 86 ALA C C 180.321 . . 559 . 86 ALA CA C 54.264 . . 560 . 86 ALA CB C 18.586 . . 561 . 86 ALA N N 118.634 . . 562 . 87 ALA H H 9.367 . . 563 . 87 ALA HA H 3.983 . . 564 . 87 ALA HB H 1.417 . . 565 . 87 ALA C C 177.378 . . 566 . 87 ALA CA C 54.264 . . 567 . 87 ALA CB C 18.997 . . 568 . 87 ALA N N 116.176 . . 569 . 88 SER H H 7.939 . . 570 . 88 SER HA H 3.917 . . 571 . 88 SER C C 176.404 . . 572 . 88 SER CA C 61.411 . . 573 . 88 SER CB C 62.497 . . 574 . 88 SER N N 110.449 . . 575 . 89 ASP H H 7.084 . . 576 . 89 ASP HA H 4.457 . . 577 . 89 ASP HB2 H 2.737 . . 578 . 89 ASP HB3 H 2.834 . . 579 . 89 ASP C C 178.084 . . 580 . 89 ASP CA C 56.750 . . 581 . 89 ASP CB C 40.211 . . 582 . 89 ASP N N 115.254 . . 583 . 90 LEU H H 9.416 . . 584 . 90 LEU HA H 3.761 . . 585 . 90 LEU HB2 H 1.861 . . 586 . 90 LEU HB3 H 1.861 . . 587 . 90 LEU HD1 H 0.931 . . 588 . 90 LEU HD2 H 0.931 . . 589 . 91 ILE H H 8.609 . . 590 . 91 ILE HA H 3.226 . . 591 . 91 ILE HB H 1.865 . . 592 . 91 ILE HD1 H 0.684 . . 593 . 91 ILE N N 116.441 . . 594 . 92 ASP H H 7.286 . . 595 . 92 ASP HA H 4.317 . . 596 . 92 ASP HB2 H 2.939 . . 597 . 92 ASP HB3 H 2.698 . . 598 . 92 ASP C C 177.136 . . 599 . 92 ASP CA C 57.061 . . 600 . 92 ASP CB C 39.334 . . 601 . 92 ASP N N 117.442 . . 602 . 93 LEU H H 7.719 . . 603 . 93 LEU N N 119.530 . . 604 . 94 VAL H H 8.433 . . 605 . 94 VAL N N 124.110 . . 606 . 96 ARG H H 8.122 . . 607 . 96 ARG HA H 4.017 . . 608 . 96 ARG HG2 H 1.407 . . 609 . 96 ARG HG3 H 1.407 . . 610 . 96 ARG HD2 H 3.014 . . 611 . 96 ARG HD3 H 3.014 . . 612 . 96 ARG C C 177.236 . . 613 . 96 ARG CA C 58.925 . . 614 . 96 ARG CB C 26.623 . . 615 . 96 ARG N N 120.940 . . 616 . 97 HIS H H 7.853 . . 617 . 97 HIS HA H 4.588 . . 618 . 97 HIS HB2 H 3.336 . . 619 . 97 HIS HB3 H 2.832 . . 620 . 97 HIS HD2 H 7.053 . . 621 . 97 HIS HE1 H 7.755 . . 622 . 97 HIS C C 172.505 . . 623 . 97 HIS CA C 56.129 . . 624 . 97 HIS CB C 30.628 . . 625 . 97 HIS N N 111.927 . . 626 . 98 LYS H H 7.835 . . 627 . 98 LYS HA H 4.014 . . 628 . 98 LYS HB2 H 1.800 . . 629 . 98 LYS HB3 H 1.800 . . 630 . 98 LYS HG2 H 1.443 . . 631 . 98 LYS HG3 H 1.443 . . 632 . 98 LYS HE2 H 3.101 . . 633 . 98 LYS HE3 H 3.101 . . 634 . 98 LYS C C 175.213 . . 635 . 98 LYS CA C 56.284 . . 636 . 98 LYS CB C 32.432 . . 637 . 98 LYS CG C 28.867 . . 638 . 98 LYS N N 116.232 . . 639 . 99 LEU H H 7.750 . . 640 . 99 LEU HA H 4.512 . . 641 . 99 LEU N N 114.780 . . 642 . 101 THR HA H 4.854 . . 643 . 101 THR HB H 4.049 . . 644 . 101 THR HG2 H 1.147 . . 645 . 102 PHE H H 8.244 . . 646 . 102 PHE HA H 4.957 . . 647 . 102 PHE HB2 H 3.338 . . 648 . 102 PHE HB3 H 2.944 . . 649 . 102 PHE HD1 H 6.919 . . 650 . 102 PHE HE1 H 6.688 . . 651 . 102 PHE C C 171.735 . . 652 . 102 PHE CA C 55.197 . . 653 . 102 PHE CB C 38.818 . . 654 . 102 PHE N N 117.040 . . 655 . 103 LYS H H 8.948 . . 656 . 103 LYS HA H 5.086 . . 657 . 103 LYS HG2 H 1.437 . . 658 . 103 LYS HG3 H 1.336 . . 659 . 103 LYS HD2 H 1.586 . . 660 . 103 LYS HD3 H 1.512 . . 661 . 103 LYS HE2 H 2.919 . . 662 . 103 LYS HE3 H 2.919 . . 663 . 103 LYS C C 174.557 . . 664 . 103 LYS CA C 55.041 . . 665 . 103 LYS CB C 34.207 . . 666 . 103 LYS N N 118.029 . . 667 . 104 VAL H H 8.885 . . 668 . 104 VAL HA H 4.754 . . 669 . 104 VAL HB H 1.985 . . 670 . 104 VAL HG1 H 0.986 . . 671 . 104 VAL HG2 H 0.888 . . 672 . 104 VAL C C 172.496 . . 673 . 104 VAL CA C 59.391 . . 674 . 104 VAL CB C 34.115 . . 675 . 104 VAL CG1 C 21.269 . . 676 . 104 VAL CG2 C 21.269 . . 677 . 104 VAL N N 117.957 . . 678 . 105 LYS H H 9.343 . . 679 . 105 LYS HA H 5.097 . . 680 . 105 LYS HD2 H 1.546 . . 681 . 105 LYS HD3 H 1.546 . . 682 . 105 LYS C C 174.496 . . 683 . 105 LYS CA C 53.798 . . 684 . 105 LYS CB C 35.547 . . 685 . 105 LYS N N 124.701 . . 686 . 106 VAL H H 8.738 . . 687 . 106 VAL N N 125.146 . . 688 . 115 ASN H H 7.792 . . 689 . 115 ASN HA H 4.663 . . 690 . 115 ASN N N 115.141 . . 691 . 117 TRP HE3 H 7.388 . . 692 . 117 TRP HZ2 H 7.224 . . 693 . 117 TRP HZ3 H 6.817 . . 694 . 117 TRP HH2 H 7.092 . . 695 . 118 PHE HA H 5.498 . . 696 . 118 PHE HB2 H 2.830 . . 697 . 118 PHE HB3 H 2.830 . . 698 . 118 PHE HD1 H 7.286 . . 699 . 118 PHE HE1 H 7.182 . . 700 . 118 PHE C C 173.966 . . 701 . 118 PHE CA C 55.818 . . 702 . 118 PHE CB C 42.664 . . 703 . 119 SER H H 9.337 . . 704 . 119 SER HA H 4.437 . . 705 . 119 SER HB2 H 3.856 . . 706 . 119 SER HB3 H 3.780 . . 707 . 119 SER C C 173.283 . . 708 . 119 SER CA C 57.993 . . 709 . 119 SER CB C 63.588 . . 710 . 119 SER N N 112.695 . . stop_ save_