data_4600 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Nucleocapsid protein from Mason-Pfizer monkey virus (MPMV) ; _BMRB_accession_number 4600 _BMRB_flat_file_name bmr4600.str _Entry_type original _Submission_date 2000-05-05 _Accession_date 2000-09-07 _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" 287 "13C chemical shifts" 110 "15N chemical shifts" 54 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-12-21 original author . stop_ _Original_release_date 2000-12-21 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 9827993 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' 'Rna binding protein' Retrovirus 'Viral protein' stop_ save_ ################################## # Molecular system description # ################################## save_system_GAG _Saveframe_category molecular_system _Mol_system_name 'GAG Polyprotein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label GAG $GAG Zn $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_GAG _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Protein (GAG Polyprotein)' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 60 _Mol_residue_sequence ; GGSCFKCGKKGHFAKNCHEH AHNNAEPKVPGLCPRCKRGK HWANECKSKTDNQGNPIPPH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 21 GLY 2 22 GLY 3 23 SER 4 24 CYS 5 25 PHE 6 26 LYS 7 27 CYS 8 28 GLY 9 29 LYS 10 30 LYS 11 31 GLY 12 32 HIS 13 33 PHE 14 34 ALA 15 35 LYS 16 36 ASN 17 37 CYS 18 38 HIS 19 39 GLU 20 40 HIS 21 41 ALA 22 42 HIS 23 43 ASN 24 44 ASN 25 45 ALA 26 46 GLU 27 47 PRO 28 48 LYS 29 49 VAL 30 50 PRO 31 51 GLY 32 52 LEU 33 53 CYS 34 54 PRO 35 55 ARG 36 56 CYS 37 57 LYS 38 58 ARG 39 59 GLY 40 60 LYS 41 61 HIS 42 62 TRP 43 63 ALA 44 64 ASN 45 65 GLU 46 66 CYS 47 67 LYS 48 68 SER 49 69 LYS 50 70 THR 51 71 ASP 52 72 ASN 53 73 GLN 54 74 GLY 55 75 ASN 56 76 PRO 57 77 ILE 58 78 PRO 59 79 PRO 60 80 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 4498 "GAG MPMV" 100.00 61 100.00 100.00 4.32e-34 PDB 1CL4 "Nucleocapsid Protein From Mason-Pfizer Monkey Virus (Mpmv)" 100.00 60 100.00 100.00 4.03e-34 GB AAA47710 "gag polyprotein [Mason-Pfizer monkey virus]" 100.00 657 98.33 98.33 6.38e-33 GB AAC82573 "Pr78 [Mason-Pfizer monkey virus]" 100.00 657 98.33 98.33 6.38e-33 GB AAC82574 "Pr95 [Mason-Pfizer monkey virus]" 100.00 911 98.33 98.33 8.37e-33 GB AAC82576 "RT-IN [Mason-Pfizer monkey virus]" 100.00 1771 98.33 98.33 1.58e-36 GB ABD83648 "codon usage optimized MPMV-gag protein [synthetic construct]" 100.00 657 98.33 98.33 6.38e-33 REF NP_056891 "RT-IN [Mason-Pfizer monkey virus]" 100.00 1771 98.33 98.33 1.58e-36 REF NP_056892 "Pr95 [Mason-Pfizer monkey virus]" 100.00 911 98.33 98.33 8.37e-33 REF NP_056893 "Pr78 [Mason-Pfizer monkey virus]" 100.00 657 98.33 98.33 6.38e-33 REF NP_954556 "p14 NC [Mason-Pfizer monkey virus]" 100.00 97 98.33 98.33 1.31e-33 REF NP_954564 "DU [Mason-Pfizer monkey virus]" 100.00 234 98.33 98.33 2.15e-34 SP P07567 "RecName: Full=Gag polyprotein; AltName: Full=Core polyprotein; Contains: RecName: Full=Matrix protein p10; Contains: RecName: F" 100.00 657 98.33 98.33 6.38e-33 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 Fri Jun 10 14:33:36 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 $GAG 'Mason-Pfizer monkey virus' . . . . . 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 $GAG 'recombinant technology' . Escherichia coli BL21(DE3)/PLYSS PT72180.MPMV 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 . mM . stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.1 loop_ _Task refinement stop_ _Details Brunger save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model 'UNITY INOVA' _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 temperature 298.0 . K pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_ref_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_citation_label _Correction_value_citation_label . H 1 . ppm . . . . . . $entry_citation $entry_citation . C 13 . ppm . . . . . . $entry_citation $entry_citation . N 15 . ppm . . . . . . $entry_citation $entry_citation 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_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 $chemical_shift_ref_1 _Mol_system_component_name GAG _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 HZ H 7.24 . . 25 . 6 LYS N N 123.7 . . 26 . 6 LYS H H 9.14 . . 27 . 6 LYS C C 177.5 . . 28 . 6 LYS CA C 59.2 . . 29 . 6 LYS HA H 4.14 . . 30 . 6 LYS HB2 H 1.83 . . 31 . 6 LYS HB3 H 1.60 . . 32 . 6 LYS HG2 H 1.16 . . 33 . 6 LYS HG3 H 1.03 . . 34 . 7 CYS N N 116.6 . . 35 . 7 CYS H H 8.44 . . 36 . 7 CYS C C 176.5 . . 37 . 7 CYS CA C 58.3 . . 38 . 7 CYS HA H 4.93 . . 39 . 7 CYS HB2 H 3.15 . . 40 . 7 CYS HB3 H 2.48 . . 41 . 8 GLY N N 113.0 . . 42 . 8 GLY H H 7.95 . . 43 . 8 GLY C C 174.1 . . 44 . 8 GLY CA C 46.1 . . 45 . 8 GLY HA2 H 4.12 . . 46 . 8 GLY HA3 H 3.83 . . 47 . 9 LYS N N 121.3 . . 48 . 9 LYS H H 8.35 . . 49 . 9 LYS C C 175.7 . . 50 . 9 LYS CA C 56.3 . . 51 . 9 LYS HA H 4.42 . . 52 . 9 LYS HB2 H 1.85 . . 53 . 9 LYS HB3 H 1.71 . . 54 . 9 LYS HG2 H 1.57 . . 55 . 9 LYS HG3 H 1.40 . . 56 . 10 LYS N N 117.9 . . 57 . 10 LYS H H 8.22 . . 58 . 10 LYS C C 178.1 . . 59 . 10 LYS CA C 56.1 . . 60 . 10 LYS HA H 4.33 . . 61 . 10 LYS HB2 H 1.74 . . 62 . 10 LYS HB3 H 1.64 . . 63 . 10 LYS HG2 H 1.43 . . 64 . 10 LYS HG3 H 1.29 . . 65 . 11 GLY N N 106.7 . . 66 . 11 GLY H H 8.23 . . 67 . 11 GLY C C 173.4 . . 68 . 11 GLY CA C 45.5 . . 69 . 11 GLY HA2 H 4.31 . . 70 . 11 GLY HA3 H 3.53 . . 71 . 12 HIS N N 112.6 . . 72 . 12 HIS H H 6.89 . . 73 . 12 HIS C C 171.8 . . 74 . 12 HIS CA C 55.0 . . 75 . 12 HIS HA H 4.56 . . 76 . 12 HIS HB2 H 3.05 . . 77 . 12 HIS HD2 H 6.70 . . 78 . 12 HIS HE1 H 7.38 . . 79 . 13 PHE N N 116.0 . . 80 . 13 PHE H H 8.44 . . 81 . 13 PHE C C 177.5 . . 82 . 13 PHE CA C 55.9 . . 83 . 13 PHE HA H 4.84 . . 84 . 13 PHE HB2 H 3.47 . . 85 . 13 PHE HB3 H 2.82 . . 86 . 13 PHE HD1 H 7.29 . . 87 . 13 PHE HD2 H 7.29 . . 88 . 13 PHE HZ H 7.29 . . 89 . 14 ALA N N 124.6 . . 90 . 14 ALA H H 8.97 . . 91 . 14 ALA C C 180.4 . . 92 . 14 ALA CA C 55.9 . . 93 . 14 ALA HA H 4.87 . . 94 . 14 ALA HB H 1.33 . . 95 . 15 LYS N N 115.4 . . 96 . 15 LYS H H 8.27 . . 97 . 15 LYS C C 176.3 . . 98 . 15 LYS CA C 58.4 . . 99 . 15 LYS HA H 4.14 . . 100 . 15 LYS HB2 H 1.91 . . 101 . 15 LYS HB3 H 1.74 . . 102 . 15 LYS HG2 H 1.36 . . 103 . 15 LYS HG3 H 0.91 . . 104 . 16 ASN N N 115.2 . . 105 . 16 ASN H H 7.94 . . 106 . 16 ASN C C 173.1 . . 107 . 16 ASN CA C 51.9 . . 108 . 16 ASN HA H 4.70 . . 109 . 16 ASN HB2 H 3.10 . . 110 . 16 ASN HB3 H 2.57 . . 111 . 17 CYS N N 122.7 . . 112 . 17 CYS H H 7.42 . . 113 . 17 CYS CA C 62.0 . . 114 . 17 CYS HA H 3.67 . . 115 . 17 CYS HB2 H 3.15 . . 116 . 17 CYS HB3 H 2.82 . . 117 . 18 HIS CA C 54.0 . . 118 . 18 HIS HB2 H 3.33 . . 119 . 18 HIS HD2 H 7.12 . . 120 . 19 GLU N N 122.5 . . 121 . 19 GLU H H 8.41 . . 122 . 19 GLU C C 176.1 . . 123 . 19 GLU CA C 56.9 . . 124 . 19 GLU HA H 4.14 . . 125 . 19 GLU HB2 H 1.89 . . 126 . 19 GLU HB3 H 1.81 . . 127 . 19 GLU HG2 H 2.12 . . 128 . 19 GLU HG3 H 2.12 . . 129 . 20 HIS HB2 H 3.25 . . 130 . 20 HIS HB3 H 2.95 . . 131 . 20 HIS HD2 H 7.02 . . 132 . 20 HIS HE1 H 8.28 . . 133 . 21 ALA N N 130.5 . . 134 . 21 ALA H H 8.11 . . 135 . 21 ALA C C 179.5 . . 136 . 21 ALA CA C 53.6 . . 137 . 21 ALA HA H 4.09 . . 138 . 21 ALA HB H 1.27 . . 139 . 22 HIS HD2 H 7.38 . . 140 . 22 HIS HE1 H 8.09 . . 141 . 23 ASN N N 121.7 . . 142 . 23 ASN H H 8.36 . . 143 . 23 ASN C C 176.3 . . 144 . 23 ASN CA C 52.3 . . 145 . 23 ASN HA H 4.26 . . 146 . 23 ASN HB2 H 2.25 . . 147 . 24 ASN N N 127.5 . . 148 . 24 ASN H H 7.90 . . 149 . 24 ASN C C 174.6 . . 150 . 24 ASN CA C 53.3 . . 151 . 24 ASN HA H 4.64 . . 152 . 24 ASN HB2 H 2.80 . . 153 . 24 ASN HB3 H 2.71 . . 154 . 24 ASN HD21 H 7.56 . . 155 . 24 ASN HD22 H 6.89 . . 156 . 24 ASN ND2 N 112.5 . . 157 . 25 ALA N N 123.4 . . 158 . 25 ALA H H 8.18 . . 159 . 25 ALA C C 177.2 . . 160 . 25 ALA CA C 52.2 . . 161 . 25 ALA HA H 4.29 . . 162 . 25 ALA HB H 1.31 . . 163 . 26 GLU N N 121.2 . . 164 . 26 GLU H H 8.19 . . 165 . 26 GLU C C 174.5 . . 166 . 26 GLU CA C 54.3 . . 167 . 26 GLU HA H 4.50 . . 168 . 26 GLU HB2 H 1.97 . . 169 . 26 GLU HB3 H 1.87 . . 170 . 26 GLU HG2 H 2.23 . . 171 . 26 GLU HG3 H 2.23 . . 172 . 27 PRO C C 176.7 . . 173 . 27 PRO CA C 63.2 . . 174 . 27 PRO HA H 4.40 . . 175 . 27 PRO HB2 H 2.29 . . 176 . 27 PRO HB3 H 1.94 . . 177 . 28 LYS N N 121.2 . . 178 . 28 LYS H H 8.49 . . 179 . 28 LYS C C 176.1 . . 180 . 28 LYS CA C 56.1 . . 181 . 28 LYS HA H 4.44 . . 182 . 28 LYS HB2 H 1.93 . . 183 . 28 LYS HB3 H 1.82 . . 184 . 28 LYS HG2 H 1.66 . . 185 . 28 LYS HG3 H 1.48 . . 186 . 28 LYS HE2 H 2.93 . . 187 . 28 LYS HE3 H 2.93 . . 188 . 29 VAL N N 120.3 . . 189 . 29 VAL H H 8.08 . . 190 . 29 VAL C C 175.1 . . 191 . 29 VAL CA C 58.8 . . 192 . 29 VAL HA H 4.48 . . 193 . 29 VAL HB H 1.99 . . 194 . 29 VAL HG1 H 0.84 . . 195 . 29 VAL HG2 H 0.79 . . 196 . 30 PRO C C 177.1 . . 197 . 30 PRO CA C 63.0 . . 198 . 30 PRO HA H 3.33 . . 199 . 30 PRO HB2 H 1.06 . . 200 . 30 PRO HB3 H 0.33 . . 201 . 30 PRO HG2 H 1.38 . . 202 . 30 PRO HG3 H 1.03 . . 203 . 30 PRO HD2 H 3.48 . . 204 . 30 PRO HD3 H 3.28 . . 205 . 31 GLY N N 107.1 . . 206 . 31 GLY H H 7.44 . . 207 . 31 GLY C C 172.6 . . 208 . 31 GLY CA C 43.2 . . 209 . 31 GLY HA2 H 3.99 . . 210 . 31 GLY HA3 H 3.50 . . 211 . 32 LEU N N 118.7 . . 212 . 32 LEU H H 7.94 . . 213 . 32 LEU C C 176.9 . . 214 . 32 LEU CA C 55.4 . . 215 . 32 LEU HA H 3.60 . . 216 . 32 LEU HB2 H 1.40 . . 217 . 32 LEU HB3 H 1.23 . . 218 . 32 LEU HG H 1.30 . . 219 . 32 LEU HD1 H 0.69 . . 220 . 32 LEU HD2 H 0.55 . . 221 . 33 CYS N N 131.5 . . 222 . 33 CYS H H 8.34 . . 223 . 33 CYS C C 176.1 . . 224 . 33 CYS CA C 56.7 . . 225 . 33 CYS HA H 4.56 . . 226 . 33 CYS HB2 H 2.68 . . 227 . 33 CYS HB3 H 1.87 . . 228 . 34 PRO C C 177.1 . . 229 . 34 PRO CA C 63.8 . . 230 . 34 PRO HA H 4.46 . . 231 . 34 PRO HB2 H 2.28 . . 232 . 34 PRO HB3 H 2.02 . . 233 . 34 PRO HG2 H 2.18 . . 234 . 34 PRO HG3 H 2.04 . . 235 . 34 PRO HD2 H 4.12 . . 236 . 34 PRO HD3 H 4.12 . . 237 . 35 ARG N N 123.4 . . 238 . 35 ARG H H 9.30 . . 239 . 35 ARG C C 176.6 . . 240 . 35 ARG CA C 58.7 . . 241 . 35 ARG HA H 4.27 . . 242 . 35 ARG HB2 H 2.03 . . 243 . 35 ARG HB3 H 1.92 . . 244 . 35 ARG HG2 H 1.64 . . 245 . 35 ARG HG3 H 1.48 . . 246 . 35 ARG HD2 H 3.20 . . 247 . 35 ARG HD3 H 3.20 . . 248 . 36 CYS N N 116.1 . . 249 . 36 CYS H H 8.65 . . 250 . 36 CYS C C 174.1 . . 251 . 36 CYS CA C 57.9 . . 252 . 36 CYS HA H 4.87 . . 253 . 36 CYS HB2 H 3.16 . . 254 . 36 CYS HB3 H 2.63 . . 255 . 37 LYS N N 118.3 . . 256 . 37 LYS H H 8.02 . . 257 . 37 LYS C C 176.2 . . 258 . 37 LYS CA C 58.6 . . 259 . 37 LYS HA H 3.98 . . 260 . 37 LYS HB2 H 2.00 . . 261 . 37 LYS HB3 H 1.30 . . 262 . 37 LYS HG2 H 1.64 . . 263 . 37 LYS HG3 H 1.55 . . 264 . 38 ARG N N 117.3 . . 265 . 38 ARG H H 8.89 . . 266 . 38 ARG C C 176.3 . . 267 . 38 ARG CA C 56.8 . . 268 . 38 ARG HA H 4.47 . . 269 . 38 ARG HB2 H 2.02 . . 270 . 38 ARG HB3 H 1.78 . . 271 . 38 ARG HG2 H 1.51 . . 272 . 38 ARG HG3 H 1.27 . . 273 . 38 ARG HD2 H 3.11 . . 274 . 38 ARG HD3 H 3.11 . . 275 . 39 GLY N N 103.7 . . 276 . 39 GLY H H 7.03 . . 277 . 39 GLY C C 173.1 . . 278 . 39 GLY CA C 44.0 . . 279 . 39 GLY HA2 H 4.06 . . 280 . 39 GLY HA3 H 3.90 . . 281 . 40 LYS N N 120.9 . . 282 . 40 LYS H H 8.54 . . 283 . 40 LYS C C 174.2 . . 284 . 40 LYS CA C 55.7 . . 285 . 40 LYS HA H 4.31 . . 286 . 40 LYS HB2 H 1.52 . . 287 . 40 LYS HB3 H 1.24 . . 288 . 40 LYS HG2 H 0.74 . . 289 . 40 LYS HG3 H 0.74 . . 290 . 41 HIS N N 117.5 . . 291 . 41 HIS H H 6.92 . . 292 . 41 HIS C C 173.2 . . 293 . 41 HIS CA C 54.1 . . 294 . 41 HIS HA H 4.29 . . 295 . 41 HIS HB2 H 3.38 . . 296 . 41 HIS HB3 H 3.31 . . 297 . 41 HIS HD2 H 6.87 . . 298 . 41 HIS HE1 H 7.41 . . 299 . 42 TRP N N 120.1 . . 300 . 42 TRP H H 8.58 . . 301 . 42 TRP C C 178.5 . . 302 . 42 TRP CA C 56.7 . . 303 . 42 TRP HA H 4.88 . . 304 . 42 TRP HB2 H 3.67 . . 305 . 42 TRP HB3 H 2.99 . . 306 . 42 TRP HD1 H 7.43 . . 307 . 42 TRP HE1 H 10.17 . . 308 . 42 TRP HE3 H 7.91 . . 309 . 42 TRP HZ2 H 7.21 . . 310 . 42 TRP HZ3 H 7.13 . . 311 . 42 TRP HH2 H 6.93 . . 312 . 42 TRP NE1 N 127.0 . . 313 . 43 ALA N N 125.8 . . 314 . 43 ALA H H 9.49 . . 315 . 43 ALA C C 180.1 . . 316 . 43 ALA CA C 55.7 . . 317 . 43 ALA HA H 4.74 . . 318 . 43 ALA HB H 1.56 . . 319 . 44 ASN N N 111.6 . . 320 . 44 ASN H H 8.54 . . 321 . 44 ASN C C 175.8 . . 322 . 44 ASN CA C 54.8 . . 323 . 44 ASN HA H 4.50 . . 324 . 44 ASN HB2 H 2.92 . . 325 . 44 ASN HB3 H 2.77 . . 326 . 44 ASN HD21 H 7.54 . . 327 . 44 ASN HD22 H 6.81 . . 328 . 44 ASN ND2 N 112.0 . . 329 . 45 GLU N N 117.7 . . 330 . 45 GLU H H 7.81 . . 331 . 45 GLU C C 175.1 . . 332 . 45 GLU CA C 55.0 . . 333 . 45 GLU HA H 4.43 . . 334 . 45 GLU HB2 H 2.32 . . 335 . 45 GLU HB3 H 2.12 . . 336 . 46 CYS N N 122.9 . . 337 . 46 CYS H H 7.36 . . 338 . 46 CYS C C 176.6 . . 339 . 46 CYS CA C 62.3 . . 340 . 46 CYS HA H 3.67 . . 341 . 46 CYS HB2 H 3.29 . . 342 . 46 CYS HB3 H 3.01 . . 343 . 47 LYS N N 128.1 . . 344 . 47 LYS H H 8.62 . . 345 . 47 LYS C C 176.9 . . 346 . 47 LYS CA C 55.0 . . 347 . 47 LYS HA H 4.51 . . 348 . 47 LYS HB2 H 2.99 . . 349 . 47 LYS HB3 H 1.56 . . 350 . 47 LYS HG2 H 1.32 . . 351 . 47 LYS HG3 H 1.32 . . 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 . 50 THR HB H 3.85 . . 370 . 50 THR HG2 H 0.95 . . 371 . 51 ASP N N 120.4 . . 372 . 51 ASP H H 8.68 . . 373 . 51 ASP C C 177.3 . . 374 . 51 ASP CA C 52.6 . . 375 . 51 ASP HA H 4.91 . . 376 . 51 ASP HB2 H 3.10 . . 377 . 51 ASP HB3 H 2.64 . . 378 . 52 ASN N N 116.4 . . 379 . 52 ASN H H 8.23 . . 380 . 52 ASN C C 178.0 . . 381 . 52 ASN CA C 55.3 . . 382 . 52 ASN HA H 4.31 . . 383 . 52 ASN HB2 H 2.86 . . 384 . 52 ASN HB3 H 2.66 . . 385 . 52 ASN HD21 H 7.52 . . 386 . 52 ASN HD22 H 6.90 . . 387 . 52 ASN ND2 N 112.9 . . 388 . 53 GLN N N 118.5 . . 389 . 53 GLN H H 8.17 . . 390 . 53 GLN C C 175.8 . . 391 . 53 GLN CA C 55.3 . . 392 . 53 GLN HA H 4.40 . . 393 . 53 GLN HB2 H 2.24 . . 394 . 53 GLN HB3 H 1.94 . . 395 . 53 GLN HG2 H 2.23 . . 396 . 53 GLN HG3 H 1.88 . . 397 . 53 GLN HE21 H 7.87 . . 398 . 53 GLN HE22 H 7.07 . . 399 . 53 GLN NE2 N 112.3 . . 400 . 54 GLY N N 107.4 . . 401 . 54 GLY H H 8.13 . . 402 . 54 GLY C C 174.0 . . 403 . 54 GLY CA C 44.9 . . 404 . 54 GLY HA2 H 4.14 . . 405 . 54 GLY HA3 H 3.60 . . 406 . 55 ASN N N 120.1 . . 407 . 55 ASN H H 8.44 . . 408 . 55 ASN C C 173.0 . . 409 . 55 ASN CA C 51.7 . . 410 . 55 ASN HA H 4.97 . . 411 . 55 ASN HB2 H 2.84 . . 412 . 55 ASN HB3 H 2.62 . . 413 . 55 ASN HD21 H 8.24 . . 414 . 55 ASN HD22 H 7.01 . . 415 . 55 ASN ND2 N 116.4 . . 416 . 56 PRO C C 176.5 . . 417 . 56 PRO CA C 63.0 . . 418 . 56 PRO HA H 4.52 . . 419 . 56 PRO HB2 H 2.27 . . 420 . 56 PRO HB3 H 1.79 . . 421 . 56 PRO HD2 H 3.64 . . 422 . 56 PRO HD3 H 3.64 . . 423 . 57 ILE N N 123.6 . . 424 . 57 ILE H H 7.82 . . 425 . 57 ILE C C 174.2 . . 426 . 57 ILE CA C 58.4 . . 427 . 57 ILE HA H 4.41 . . 428 . 57 ILE HB H 1.52 . . 429 . 57 ILE HG12 H 1.36 . . 430 . 57 ILE HG13 H 1.36 . . 431 . 57 ILE HG2 H 0.88 . . 432 . 57 ILE HD1 H 0.51 . . 433 . 58 PRO C C 176.7 . . 434 . 58 PRO CA C 63.0 . . 435 . 58 PRO HA H 4.64 . . 436 . 58 PRO HB2 H 2.30 . . 437 . 58 PRO HB3 H 1.88 . . 438 . 59 PRO C C 176.2 . . 439 . 59 PRO CA C 63.7 . . 440 . 59 PRO HA H 4.36 . . 441 . 59 PRO HB2 H 2.23 . . 442 . 59 PRO HB3 H 1.88 . . 443 . 60 HIS N N 122.1 . . 444 . 60 HIS H H 7.85 . . 445 . 60 HIS C C 176.3 . . 446 . 60 HIS CA C 56.6 . . 447 . 60 HIS HA H 4.36 . . 448 . 60 HIS HB2 H 3.13 . . 449 . 60 HIS HB3 H 3.08 . . 450 . 60 HIS HD2 H 7.18 . . 451 . 60 HIS HE1 H 8.42 . . stop_ save_