data_4498 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Nucleocapsid Protein from Mason-Pfizer Monkey Virus (MPMV) ; _BMRB_accession_number 4498 _BMRB_flat_file_name bmr4498.str _Entry_type original _Submission_date 1999-05-06 _Accession_date 1999-12-06 _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 Gao Y. . . 2 Kaluarachchi K. . . 3 Giedroc D. P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 289 "13C chemical shifts" 110 "15N chemical shifts" 55 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-06-16 original author . stop_ _Original_release_date 2000-06-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure and Backbone Dynamics of Mason-Pfizer Monkey Virus (MPMV) Nucleocapsid Protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99043695 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gao Y. . . 2 Kaluarachchi K. . . 3 Giedroc D. P. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 7 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2265 _Page_last 2280 _Year 1998 _Details . loop_ _Keyword 'nucleocapsid protein' retrovirus 'RNA binding protein' stop_ save_ ################################## # Molecular system description # ################################## save_system_GAG_MPMV _Saveframe_category molecular_system _Mol_system_name 'GAG MPMV' _Abbreviation_common 'GAG MPMV' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'GAG MPMV' $GAG_MPMV 'zinc ion' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_GAG_MPMV _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'GAG MPMV' _Name_variant C23S _Abbreviation_common 'GAG MPMV' _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 61 _Mol_residue_sequence ; GGSCFKCGKKGHFAKNCHEH AHNNAEPKVPGLCPRCKRGK HWANECKSKTDNQGNPIPPH H ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 GLY 3 SER 4 CYS 5 PHE 6 LYS 7 CYS 8 GLY 9 LYS 10 LYS 11 GLY 12 HIS 13 PHE 14 ALA 15 LYS 16 ASN 17 CYS 18 HIS 19 GLU 20 HIS 21 ALA 22 HIS 23 ASN 24 ASN 25 ALA 26 GLU 27 PRO 28 LYS 29 VAL 30 PRO 31 GLY 32 LEU 33 CYS 34 PRO 35 ARG 36 CYS 37 LYS 38 ARG 39 GLY 40 LYS 41 HIS 42 TRP 43 ALA 44 ASN 45 GLU 46 CYS 47 LYS 48 SER 49 LYS 50 THR 51 ASP 52 ASN 53 GLN 54 GLY 55 ASN 56 PRO 57 ILE 58 PRO 59 PRO 60 HIS 61 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-04 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 4600 "Protein (GAG Polyprotein)" 98.36 60 100.00 100.00 4.39e-34 PDB 1CL4 "Nucleocapsid Protein From Mason-Pfizer Monkey Virus (Mpmv)" 98.36 60 100.00 100.00 4.39e-34 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 15:19:31 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Plasmid _Gene_mnemonic $GAG_MPMV 'Mason-Pfizer monkey virus' 11855 . . 'Type D retroviruses' . pT72180.mpmv NCp14 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 $GAG_MPMV 'recombinant technology' 'E. coli' Escherichia coli . BL21(DE3)/pLysS pET3d 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 $GAG_MPMV . mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 500 _Details . save_ save_NMR_spectrometer2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityInova _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.2 . n/a pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_ref _Saveframe_category chemical_shift_reference _Details . 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_chem_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chem_shift_ref _Mol_system_component_name 'GAG MPMV' _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 SER N N 114.8 . . 2 . 3 SER H H 7.85 . . 3 . 3 SER C C 173.0 . . 4 . 3 SER CA C 57.8 . . 5 . 3 SER HA H 4.39 . . 6 . 3 SER HB2 H 3.80 . . 7 . 3 SER HB3 H 3.45 . . 8 . 4 CYS N N 126.0 . . 9 . 4 CYS H H 8.25 . . 10 . 4 CYS C C 178.5 . . 11 . 4 CYS CA C 59.7 . . 12 . 4 CYS HA H 4.16 . . 13 . 4 CYS HB2 H 2.81 . . 14 . 4 CYS HB3 H 1.88 . . 15 . 5 PHE N N 127.7 . . 16 . 5 PHE H H 8.27 . . 17 . 5 PHE C C 175.9 . . 18 . 5 PHE CA C 59.1 . . 19 . 5 PHE HA H 4.54 . . 20 . 5 PHE HB2 H 3.29 . . 21 . 5 PHE HB3 H 3.10 . . 22 . 5 PHE HD1 H 7.24 . . 23 . 5 PHE HD2 H 7.24 . . 24 . 5 PHE HE1 H 7.33 . . 25 . 5 PHE HE2 H 7.33 . . 26 . 6 LYS N N 123.7 . . 27 . 6 LYS H H 9.14 . . 28 . 6 LYS C C 177.5 . . 29 . 6 LYS CA C 59.2 . . 30 . 6 LYS HA H 4.14 . . 31 . 6 LYS HB2 H 1.83 . . 32 . 6 LYS HB3 H 1.60 . . 33 . 6 LYS HG2 H 1.16 . . 34 . 6 LYS HG3 H 1.03 . . 35 . 7 CYS N N 116.6 . . 36 . 7 CYS H H 8.44 . . 37 . 7 CYS C C 176.5 . . 38 . 7 CYS CA C 58.3 . . 39 . 7 CYS HA H 4.93 . . 40 . 7 CYS HB2 H 3.15 . . 41 . 7 CYS HB3 H 2.48 . . 42 . 8 GLY N N 113.0 . . 43 . 8 GLY H H 7.95 . . 44 . 8 GLY C C 174.1 . . 45 . 8 GLY CA C 46.1 . . 46 . 8 GLY HA2 H 4.12 . . 47 . 8 GLY HA3 H 4.12 . . 48 . 9 LYS N N 121.3 . . 49 . 9 LYS H H 8.35 . . 50 . 9 LYS C C 175.7 . . 51 . 9 LYS CA C 56.3 . . 52 . 9 LYS HA H 4.42 . . 53 . 9 LYS HB2 H 1.85 . . 54 . 9 LYS HB3 H 1.71 . . 55 . 9 LYS HG2 H 1.57 . . 56 . 9 LYS HG3 H 1.40 . . 57 . 10 LYS N N 117.9 . . 58 . 10 LYS H H 8.22 . . 59 . 10 LYS C C 178.1 . . 60 . 10 LYS CA C 56.1 . . 61 . 10 LYS HA H 4.33 . . 62 . 10 LYS HB2 H 1.74 . . 63 . 10 LYS HB3 H 1.64 . . 64 . 10 LYS HG2 H 1.43 . . 65 . 10 LYS HG3 H 1.29 . . 66 . 11 GLY N N 106.7 . . 67 . 11 GLY H H 8.23 . . 68 . 11 GLY C C 173.4 . . 69 . 11 GLY CA C 45.5 . . 70 . 11 GLY HA2 H 4.31 . . 71 . 11 GLY HA3 H 4.31 . . 72 . 12 HIS N N 112.6 . . 73 . 12 HIS H H 6.89 . . 74 . 12 HIS C C 171.8 . . 75 . 12 HIS CA C 55.0 . . 76 . 12 HIS HA H 4.56 . . 77 . 12 HIS HB2 H 3.05 . . 78 . 12 HIS HB3 H 3.05 . . 79 . 12 HIS HD2 H 7.38 . . 80 . 12 HIS HE1 H 6.70 . . 81 . 13 PHE N N 116.0 . . 82 . 13 PHE H H 8.44 . . 83 . 13 PHE C C 177.5 . . 84 . 13 PHE CA C 55.9 . . 85 . 13 PHE HA H 4.84 . . 86 . 13 PHE HB2 H 3.47 . . 87 . 13 PHE HB3 H 2.82 . . 88 . 13 PHE HD1 H 7.29 . . 89 . 13 PHE HD2 H 7.29 . . 90 . 14 ALA N N 124.6 . . 91 . 14 ALA H H 8.97 . . 92 . 14 ALA C C 180.4 . . 93 . 14 ALA CA C 55.9 . . 94 . 14 ALA HA H 4.87 . . 95 . 14 ALA HB H 1.33 . . 96 . 15 LYS N N 115.4 . . 97 . 15 LYS H H 8.27 . . 98 . 15 LYS C C 176.3 . . 99 . 15 LYS CA C 58.4 . . 100 . 15 LYS HA H 4.14 . . 101 . 15 LYS HB2 H 1.91 . . 102 . 15 LYS HB3 H 1.74 . . 103 . 15 LYS HG2 H 1.36 . . 104 . 15 LYS HG3 H 0.91 . . 105 . 16 ASN N N 115.2 . . 106 . 16 ASN H H 7.94 . . 107 . 16 ASN C C 173.1 . . 108 . 16 ASN CA C 51.9 . . 109 . 16 ASN HA H 4.70 . . 110 . 16 ASN HB2 H 3.10 . . 111 . 16 ASN HB3 H 2.57 . . 112 . 17 CYS N N 122.7 . . 113 . 17 CYS H H 7.42 . . 114 . 17 CYS CA C 62.0 . . 115 . 17 CYS HA H 3.67 . . 116 . 17 CYS HB2 H 3.15 . . 117 . 17 CYS HB3 H 2.82 . . 118 . 18 HIS CA C 54.0 . . 119 . 18 HIS HB2 H 3.33 . . 120 . 18 HIS HB3 H 3.33 . . 121 . 18 HIS HD2 H 7.12 . . 122 . 19 GLU N N 122.5 . . 123 . 19 GLU H H 8.41 . . 124 . 19 GLU C C 176.1 . . 125 . 19 GLU CA C 56.9 . . 126 . 19 GLU HA H 4.14 . . 127 . 19 GLU HB2 H 1.89 . . 128 . 19 GLU HB3 H 1.81 . . 129 . 19 GLU HG2 H 2.12 . . 130 . 19 GLU HG3 H 2.12 . . 131 . 20 HIS HB2 H 3.25 . . 132 . 20 HIS HB3 H 2.95 . . 133 . 20 HIS HD2 H 7.02 . . 134 . 20 HIS HE1 H 8.28 . . 135 . 21 ALA N N 130.5 . . 136 . 21 ALA H H 8.11 . . 137 . 21 ALA C C 179.5 . . 138 . 21 ALA CA C 53.6 . . 139 . 21 ALA HA H 4.09 . . 140 . 21 ALA HB H 1.27 . . 141 . 22 HIS HD2 H 7.38 . . 142 . 22 HIS HE1 H 8.09 . . 143 . 23 ASN N N 121.7 . . 144 . 23 ASN H H 8.36 . . 145 . 23 ASN C C 176.3 . . 146 . 23 ASN CA C 52.3 . . 147 . 23 ASN HA H 4.26 . . 148 . 23 ASN HB2 H 2.25 . . 149 . 23 ASN HB3 H 2.25 . . 150 . 24 ASN N N 127.5 . . 151 . 24 ASN H H 7.90 . . 152 . 24 ASN C C 174.6 . . 153 . 24 ASN CA C 53.3 . . 154 . 24 ASN HA H 4.64 . . 155 . 24 ASN HB2 H 2.80 . . 156 . 24 ASN HB3 H 2.71 . . 157 . 24 ASN HD21 H 7.56 . . 158 . 24 ASN HD22 H 6.89 . . 159 . 24 ASN ND2 N 112.5 . . 160 . 25 ALA N N 123.4 . . 161 . 25 ALA H H 8.18 . . 162 . 25 ALA C C 177.2 . . 163 . 25 ALA CA C 52.2 . . 164 . 25 ALA HA H 4.29 . . 165 . 25 ALA HB H 1.31 . . 166 . 26 GLU N N 121.2 . . 167 . 26 GLU H H 8.19 . . 168 . 26 GLU C C 174.5 . . 169 . 26 GLU CA C 54.3 . . 170 . 26 GLU HA H 4.50 . . 171 . 26 GLU HB2 H 1.97 . . 172 . 26 GLU HB3 H 1.87 . . 173 . 26 GLU HG2 H 2.23 . . 174 . 26 GLU HG3 H 2.23 . . 175 . 27 PRO C C 176.7 . . 176 . 27 PRO CA C 63.2 . . 177 . 27 PRO HA H 4.40 . . 178 . 27 PRO HB2 H 2.29 . . 179 . 27 PRO HB3 H 1.94 . . 180 . 28 LYS N N 121.2 . . 181 . 28 LYS H H 8.49 . . 182 . 28 LYS C C 176.1 . . 183 . 28 LYS CA C 56.1 . . 184 . 28 LYS HA H 4.44 . . 185 . 28 LYS HB2 H 1.93 . . 186 . 28 LYS HB3 H 1.82 . . 187 . 28 LYS HG2 H 1.66 . . 188 . 28 LYS HG3 H 1.48 . . 189 . 28 LYS HE2 H 2.93 . . 190 . 28 LYS HE3 H 2.93 . . 191 . 29 VAL N N 120.3 . . 192 . 29 VAL H H 8.08 . . 193 . 29 VAL C C 175.1 . . 194 . 29 VAL CA C 58.8 . . 195 . 29 VAL HA H 4.48 . . 196 . 29 VAL HB H 1.99 . . 197 . 29 VAL HG1 H 0.84 . . 198 . 29 VAL HG2 H 0.79 . . 199 . 30 PRO C C 177.1 . . 200 . 30 PRO CA C 63.0 . . 201 . 30 PRO HA H 3.33 . . 202 . 30 PRO HB2 H 1.06 . . 203 . 30 PRO HB3 H 0.33 . . 204 . 30 PRO HG2 H 1.38 . . 205 . 30 PRO HG3 H 1.03 . . 206 . 30 PRO HD2 H 3.48 . . 207 . 30 PRO HD3 H 3.28 . . 208 . 31 GLY N N 107.1 . . 209 . 31 GLY H H 7.44 . . 210 . 31 GLY C C 172.6 . . 211 . 31 GLY CA C 43.2 . . 212 . 31 GLY HA2 H 3.99 . . 213 . 31 GLY HA3 H 3.50 . . 214 . 32 LEU N N 118.7 . . 215 . 32 LEU H H 7.94 . . 216 . 32 LEU C C 176.9 . . 217 . 32 LEU CA C 55.4 . . 218 . 32 LEU HA H 3.60 . . 219 . 32 LEU HB2 H 1.40 . . 220 . 32 LEU HB3 H 1.23 . . 221 . 32 LEU HG H 1.30 . . 222 . 32 LEU HD1 H 0.69 . . 223 . 32 LEU HD2 H 0.55 . . 224 . 33 CYS N N 131.5 . . 225 . 33 CYS H H 8.34 . . 226 . 33 CYS C C 176.1 . . 227 . 33 CYS CA C 56.7 . . 228 . 33 CYS HA H 4.56 . . 229 . 33 CYS HB2 H 2.68 . . 230 . 33 CYS HB3 H 1.87 . . 231 . 34 PRO C C 177.1 . . 232 . 34 PRO CA C 63.8 . . 233 . 34 PRO HA H 4.46 . . 234 . 34 PRO HB2 H 2.28 . . 235 . 34 PRO HB3 H 2.02 . . 236 . 34 PRO HG2 H 2.18 . . 237 . 34 PRO HG3 H 2.04 . . 238 . 34 PRO HD2 H 4.12 . . 239 . 34 PRO HD3 H 4.12 . . 240 . 35 ARG N N 123.4 . . 241 . 35 ARG H H 9.30 . . 242 . 35 ARG C C 176.6 . . 243 . 35 ARG CA C 58.7 . . 244 . 35 ARG HA H 4.27 . . 245 . 35 ARG HB2 H 2.03 . . 246 . 35 ARG HB3 H 1.92 . . 247 . 35 ARG HG2 H 1.64 . . 248 . 35 ARG HG3 H 1.48 . . 249 . 35 ARG HD2 H 3.20 . . 250 . 35 ARG HD3 H 3.20 . . 251 . 36 CYS N N 116.1 . . 252 . 36 CYS H H 8.65 . . 253 . 36 CYS C C 174.1 . . 254 . 36 CYS CA C 57.9 . . 255 . 36 CYS HA H 4.87 . . 256 . 36 CYS HB2 H 3.16 . . 257 . 36 CYS HB3 H 2.63 . . 258 . 37 LYS N N 118.3 . . 259 . 37 LYS H H 8.02 . . 260 . 37 LYS C C 176.2 . . 261 . 37 LYS CA C 58.6 . . 262 . 37 LYS HA H 3.98 . . 263 . 37 LYS HB2 H 2.00 . . 264 . 37 LYS HB3 H 1.30 . . 265 . 37 LYS HG2 H 1.64 . . 266 . 37 LYS HG3 H 1.55 . . 267 . 38 ARG N N 117.3 . . 268 . 38 ARG H H 8.89 . . 269 . 38 ARG C C 176.3 . . 270 . 38 ARG CA C 56.8 . . 271 . 38 ARG HA H 4.47 . . 272 . 38 ARG HB2 H 2.02 . . 273 . 38 ARG HB3 H 1.78 . . 274 . 38 ARG HG2 H 1.51 . . 275 . 38 ARG HG3 H 1.27 . . 276 . 38 ARG HD2 H 3.11 . . 277 . 38 ARG HD3 H 3.11 . . 278 . 39 GLY N N 103.7 . . 279 . 39 GLY H H 7.03 . . 280 . 39 GLY C C 173.1 . . 281 . 39 GLY CA C 44.0 . . 282 . 39 GLY HA2 H 4.06 . . 283 . 39 GLY HA3 H 3.90 . . 284 . 40 LYS N N 120.9 . . 285 . 40 LYS H H 8.54 . . 286 . 40 LYS C C 174.2 . . 287 . 40 LYS CA C 55.7 . . 288 . 40 LYS HA H 4.31 . . 289 . 40 LYS HB2 H 1.52 . . 290 . 40 LYS HB3 H 1.24 . . 291 . 40 LYS HG2 H 0.74 . . 292 . 40 LYS HG3 H 0.74 . . 293 . 41 HIS N N 117.5 . . 294 . 41 HIS H H 6.92 . . 295 . 41 HIS C C 173.2 . . 296 . 41 HIS CA C 54.1 . . 297 . 41 HIS HA H 4.29 . . 298 . 41 HIS HB2 H 3.38 . . 299 . 41 HIS HB3 H 3.31 . . 300 . 41 HIS HD2 H 6.87 . . 301 . 41 HIS HE1 H 7.41 . . 302 . 42 TRP N N 120.1 . . 303 . 42 TRP H H 8.58 . . 304 . 42 TRP C C 178.5 . . 305 . 42 TRP CA C 56.7 . . 306 . 42 TRP HA H 4.88 . . 307 . 42 TRP HB2 H 3.67 . . 308 . 42 TRP HB3 H 2.99 . . 309 . 42 TRP HD1 H 7.43 . . 310 . 42 TRP HE1 H 10.17 . . 311 . 42 TRP HE3 H 7.13 . . 312 . 42 TRP HZ2 H 7.91 . . 313 . 42 TRP HZ3 H 6.93 . . 314 . 42 TRP HH2 H 10.17 . . 315 . 42 TRP NE1 N 127.0 . . 316 . 43 ALA N N 125.8 . . 317 . 43 ALA H H 9.49 . . 318 . 43 ALA C C 180.1 . . 319 . 43 ALA CA C 55.7 . . 320 . 43 ALA HA H 4.74 . . 321 . 44 ASN N N 111.6 . . 322 . 44 ASN H H 8.54 . . 323 . 44 ASN C C 175.8 . . 324 . 44 ASN CA C 54.8 . . 325 . 44 ASN HA H 4.50 . . 326 . 44 ASN HB2 H 2.92 . . 327 . 44 ASN HB3 H 2.77 . . 328 . 44 ASN HD21 H 7.54 . . 329 . 44 ASN HD22 H 6.81 . . 330 . 44 ASN ND2 N 112.0 . . 331 . 45 GLU N N 117.7 . . 332 . 45 GLU H H 7.81 . . 333 . 45 GLU C C 175.1 . . 334 . 45 GLU CA C 55.0 . . 335 . 45 GLU HA H 4.43 . . 336 . 45 GLU HB2 H 2.32 . . 337 . 45 GLU HB3 H 2.12 . . 338 . 46 CYS N N 122.9 . . 339 . 46 CYS H H 7.36 . . 340 . 46 CYS C C 176.6 . . 341 . 46 CYS CA C 62.3 . . 342 . 46 CYS HA H 3.67 . . 343 . 46 CYS HB2 H 3.29 . . 344 . 46 CYS HB3 H 3.01 . . 345 . 47 LYS N N 128.1 . . 346 . 47 LYS H H 8.62 . . 347 . 47 LYS C C 176.9 . . 348 . 47 LYS CA C 55.0 . . 349 . 47 LYS HA H 4.51 . . 350 . 47 LYS HB2 H 2.99 . . 351 . 47 LYS HB3 H 1.56 . . 352 . 48 SER N N 119.1 . . 353 . 48 SER H H 8.46 . . 354 . 48 SER C C 174.5 . . 355 . 48 SER CA C 59.7 . . 356 . 48 SER HA H 4.28 . . 357 . 48 SER HB2 H 3.93 . . 358 . 48 SER HB3 H 3.79 . . 359 . 49 LYS C C 177.1 . . 360 . 49 LYS CA C 56.9 . . 361 . 49 LYS HA H 4.44 . . 362 . 49 LYS HB2 H 1.95 . . 363 . 49 LYS HB3 H 1.84 . . 364 . 50 THR N N 109.7 . . 365 . 50 THR H H 7.64 . . 366 . 50 THR C C 174.4 . . 367 . 50 THR CA C 59.4 . . 368 . 50 THR HA H 4.91 . . 369 . 51 ASP N N 120.4 . . 370 . 51 ASP H H 8.68 . . 371 . 51 ASP C C 177.3 . . 372 . 51 ASP CA C 52.6 . . 373 . 51 ASP HA H 4.91 . . 374 . 51 ASP HB2 H 3.10 . . 375 . 51 ASP HB3 H 2.64 . . 376 . 52 ASN N N 116.4 . . 377 . 52 ASN H H 8.23 . . 378 . 52 ASN C C 178.0 . . 379 . 52 ASN CA C 55.3 . . 380 . 52 ASN HA H 4.31 . . 381 . 52 ASN HB2 H 2.86 . . 382 . 52 ASN HB3 H 2.66 . . 383 . 52 ASN HD21 H 7.52 . . 384 . 52 ASN HD22 H 6.90 . . 385 . 52 ASN ND2 N 112.9 . . 386 . 53 GLN N N 118.5 . . 387 . 53 GLN H H 8.17 . . 388 . 53 GLN C C 175.8 . . 389 . 53 GLN CA C 55.3 . . 390 . 53 GLN HA H 4.40 . . 391 . 53 GLN HB2 H 2.24 . . 392 . 53 GLN HB3 H 1.94 . . 393 . 53 GLN HG2 H 2.23 . . 394 . 53 GLN HG3 H 1.88 . . 395 . 53 GLN HE21 H 7.87 . . 396 . 53 GLN HE22 H 7.07 . . 397 . 53 GLN NE2 N 112.3 . . 398 . 54 GLY N N 107.4 . . 399 . 54 GLY H H 8.13 . . 400 . 54 GLY C C 174.0 . . 401 . 54 GLY CA C 44.9 . . 402 . 54 GLY HA2 H 4.14 . . 403 . 54 GLY HA3 H 3.60 . . 404 . 55 ASN N N 120.1 . . 405 . 55 ASN H H 8.44 . . 406 . 55 ASN C C 173.0 . . 407 . 55 ASN CA C 51.7 . . 408 . 55 ASN HA H 4.97 . . 409 . 55 ASN HB2 H 2.84 . . 410 . 55 ASN HB3 H 2.62 . . 411 . 55 ASN HD21 H 8.24 . . 412 . 55 ASN HD22 H 7.01 . . 413 . 55 ASN ND2 N 116.4 . . 414 . 56 PRO C C 176.5 . . 415 . 56 PRO CA C 63.0 . . 416 . 56 PRO HA H 4.52 . . 417 . 56 PRO HB2 H 2.27 . . 418 . 56 PRO HB3 H 1.79 . . 419 . 56 PRO HD2 H 3.64 . . 420 . 56 PRO HD3 H 3.64 . . 421 . 57 ILE N N 123.6 . . 422 . 57 ILE H H 7.82 . . 423 . 57 ILE C C 174.2 . . 424 . 57 ILE CA C 58.4 . . 425 . 57 ILE HA H 4.41 . . 426 . 57 ILE HG12 H 1.36 . . 427 . 57 ILE HG13 H 0.88 . . 428 . 57 ILE HD1 H 0.51 . . 429 . 58 PRO C C 176.7 . . 430 . 58 PRO CA C 63.0 . . 431 . 58 PRO HA H 4.64 . . 432 . 58 PRO HB2 H 2.30 . . 433 . 58 PRO HB3 H 1.88 . . 434 . 59 PRO C C 176.2 . . 435 . 59 PRO CA C 63.7 . . 436 . 59 PRO HA H 4.36 . . 437 . 59 PRO HB2 H 2.23 . . 438 . 59 PRO HB3 H 1.88 . . 439 . 60 HIS N N 122.1 . . 440 . 60 HIS H H 7.85 . . 441 . 60 HIS C C 176.3 . . 442 . 60 HIS CA C 56.6 . . 443 . 60 HIS HA H 4.36 . . 444 . 60 HIS HB2 H 3.13 . . 445 . 60 HIS HB3 H 3.08 . . 446 . 60 HIS HD2 H 7.18 . . 447 . 60 HIS HE1 H 8.42 . . 448 . 61 HIS N N 121.6 . . 449 . 61 HIS H H 7.76 . . 450 . 61 HIS HA H 4.38 . . 451 . 61 HIS HB2 H 3.18 . . 452 . 61 HIS HB3 H 3.04 . . 453 . 61 HIS HD2 H 7.11 . . 454 . 61 HIS HE1 H 8.42 . . stop_ save_