data_4540 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Averaged NMR model of switch ARC, a double mutant of ARC repressor ; _BMRB_accession_number 4540 _BMRB_flat_file_name bmr4540.str _Entry_type original _Submission_date 1999-07-02 _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 Cordes M. H.J. . 2 Walsh N. P. . 3 McKnight C. J. . 4 Sauer R. T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 359 "15N chemical shifts" 66 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 'Evolution of a protein fold in vitro' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99212145 _PubMed_ID 10195898 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cordes M. H.J. . 2 Walsh N. P. . 3 McKnight C. J. . 4 Sauer R. T. . stop_ _Journal_abbreviation Science _Journal_volume 284 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 325 _Page_last 328 _Year 1999 _Details . loop_ _Keyword 'beta sheet' 'right-handed helix' 'structural change' stop_ save_ ################################## # Molecular system description # ################################## save_system_ARC _Saveframe_category molecular_system _Mol_system_name 'ARC repressor' _Abbreviation_common ARC _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ARC Repressor' $ARC stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ARC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'ARC Repressor' _Name_variant 'ARC Repressor double mutant' _Abbreviation_common ARC _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 64 _Mol_residue_sequence ; MKGMSKMPQFLNRWPREVLD LVRKVAEENGRSVNSEIYQR VMESFKKEGRIGAHHHHHHK NQHE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 GLY 4 MET 5 SER 6 LYS 7 MET 8 PRO 9 GLN 10 PHE 11 LEU 12 ASN 13 ARG 14 TRP 15 PRO 16 ARG 17 GLU 18 VAL 19 LEU 20 ASP 21 LEU 22 VAL 23 ARG 24 LYS 25 VAL 26 ALA 27 GLU 28 GLU 29 ASN 30 GLY 31 ARG 32 SER 33 VAL 34 ASN 35 SER 36 GLU 37 ILE 38 TYR 39 GLN 40 ARG 41 VAL 42 MET 43 GLU 44 SER 45 PHE 46 LYS 47 LYS 48 GLU 49 GLY 50 ARG 51 ILE 52 GLY 53 ALA 54 HIS 55 HIS 56 HIS 57 HIS 58 HIS 59 HIS 60 LYS 61 ASN 62 GLN 63 HIS 64 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-06-11 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 PDB 1NLA "Solution Structure Of Switch Arc, A Mutant With 3(10) Helices Replacing A Wild-Type Beta-Ribbon" 100.00 64 100.00 100.00 2.31e-38 PDB 1QTG "Averaged Nmr Model Of Switch Arc, A Double Mutant Of Arc Repressor" 82.81 53 100.00 100.00 5.26e-30 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ARC 'Bacteriophage P22' 10754 . . P22 P22 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 $ARC 'recombinant technology' 'E. coil' Escherichia coli . pET800-SWITCH_ARC 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 $ARC . mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH . . n/a pressure . . atm temperature . . K 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 . H 1 . . . . . . . . . N 15 . . . . . . . . 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 'ARC Repressor' _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 LYS HA H 4.52 0.02 1 2 . 2 LYS HB2 H 1.88 0.02 2 3 . 2 LYS HB3 H 1.94 0.02 2 4 . 3 GLY H H 8.66 0.02 1 5 . 3 GLY HA2 H 4.09 0.02 1 6 . 3 GLY HA3 H 4.09 0.02 1 7 . 3 GLY N N 110.86 0.10 1 8 . 4 MET H H 8.38 0.02 1 9 . 4 MET HA H 4.65 0.02 1 10 . 4 MET HB2 H 2.12 0.02 2 11 . 4 MET HB3 H 2.21 0.02 2 12 . 4 MET HG2 H 2.69 0.02 1 13 . 4 MET HG3 H 2.69 0.02 1 14 . 4 MET N N 120.11 0.10 1 15 . 5 SER H H 8.55 0.02 1 16 . 5 SER HA H 4.55 0.02 1 17 . 5 SER HB2 H 3.99 0.02 1 18 . 5 SER HB3 H 3.99 0.02 1 19 . 5 SER N N 118.36 0.10 1 20 . 6 LYS H H 8.44 0.02 1 21 . 6 LYS HA H 4.46 0.02 1 22 . 6 LYS HB2 H 1.85 0.02 2 23 . 6 LYS HB3 H 1.95 0.02 2 24 . 6 LYS HG2 H 1.55 0.02 1 25 . 6 LYS HG3 H 1.55 0.02 1 26 . 6 LYS HE2 H 3.11 0.02 1 27 . 6 LYS HE3 H 3.11 0.02 1 28 . 6 LYS N N 123.14 0.10 1 29 . 7 MET H H 8.54 0.02 1 30 . 7 MET HA H 4.89 0.02 1 31 . 7 MET HB2 H 1.95 0.02 2 32 . 7 MET HB3 H 2.09 0.02 2 33 . 7 MET HG2 H 2.66 0.02 1 34 . 7 MET HG3 H 2.66 0.02 1 35 . 7 MET N N 123.15 0.10 1 36 . 8 PRO HA H 4.58 0.02 1 37 . 8 PRO HB2 H 1.80 0.02 2 38 . 8 PRO HB3 H 2.60 0.02 2 39 . 8 PRO HG2 H 1.98 0.02 2 40 . 8 PRO HG3 H 2.26 0.02 2 41 . 8 PRO HD2 H 3.66 0.02 2 42 . 8 PRO HD3 H 4.09 0.02 2 43 . 9 GLN H H 8.83 0.02 1 44 . 9 GLN HA H 4.12 0.02 1 45 . 9 GLN HB2 H 2.24 0.02 1 46 . 9 GLN HB3 H 2.24 0.02 1 47 . 9 GLN HG2 H 2.56 0.02 1 48 . 9 GLN HG3 H 2.56 0.02 1 49 . 9 GLN HE21 H 7.00 0.02 2 50 . 9 GLN HE22 H 7.66 0.02 2 51 . 9 GLN N N 124.13 0.10 1 52 . 9 GLN NE2 N 112.45 0.10 1 53 . 10 PHE H H 8.32 0.02 1 54 . 10 PHE HA H 4.24 0.02 1 55 . 10 PHE HB2 H 2.24 0.02 2 56 . 10 PHE HB3 H 3.46 0.02 2 57 . 10 PHE HD1 H 6.86 0.02 1 58 . 10 PHE HD2 H 6.86 0.02 1 59 . 10 PHE HE1 H 7.21 0.02 1 60 . 10 PHE HE2 H 7.21 0.02 1 61 . 10 PHE HZ H 7.22 0.02 1 62 . 10 PHE N N 118.46 0.10 1 63 . 11 LEU H H 7.18 0.02 1 64 . 11 LEU HA H 3.44 0.02 1 65 . 11 LEU HB2 H 1.26 0.02 1 66 . 11 LEU HB3 H 1.26 0.02 1 67 . 11 LEU HG H 0.75 0.02 1 68 . 11 LEU HD1 H 0.53 0.02 2 69 . 11 LEU HD2 H -0.31 0.02 2 70 . 11 LEU N N 115.20 0.10 1 71 . 12 ASN H H 7.62 0.02 1 72 . 12 ASN HA H 4.39 0.02 1 73 . 12 ASN HB2 H 2.82 0.02 2 74 . 12 ASN HB3 H 2.97 0.02 2 75 . 12 ASN HD21 H 6.90 0.02 2 76 . 12 ASN HD22 H 7.59 0.02 2 77 . 12 ASN N N 116.78 0.10 1 78 . 12 ASN ND2 N 110.87 0.10 1 79 . 13 ARG H H 9.05 0.02 1 80 . 13 ARG HA H 4.06 0.02 1 81 . 13 ARG HB2 H 2.00 0.02 2 82 . 13 ARG HB3 H 2.12 0.02 2 83 . 13 ARG HG2 H 1.86 0.02 1 84 . 13 ARG HG3 H 1.86 0.02 1 85 . 13 ARG HD2 H 3.37 0.02 1 86 . 13 ARG HD3 H 3.37 0.02 1 87 . 13 ARG HE H 7.64 0.02 1 88 . 13 ARG N N 127.06 0.10 1 89 . 13 ARG NE N 84.91 0.10 1 90 . 14 TRP H H 8.16 0.02 1 91 . 14 TRP HA H 4.74 0.02 1 92 . 14 TRP HB2 H 3.11 0.02 2 93 . 14 TRP HB3 H 3.41 0.02 2 94 . 14 TRP HD1 H 7.12 0.02 1 95 . 14 TRP HE1 H 10.43 0.02 1 96 . 14 TRP HE3 H 7.54 0.02 1 97 . 14 TRP HZ2 H 7.47 0.02 1 98 . 14 TRP HZ3 H 7.02 0.02 1 99 . 14 TRP HH2 H 7.13 0.02 1 100 . 14 TRP N N 124.20 0.10 1 101 . 14 TRP NE1 N 129.79 0.10 1 102 . 15 PRO HA H 4.59 0.02 1 103 . 15 PRO HB2 H 2.06 0.02 2 104 . 15 PRO HB3 H 2.68 0.02 2 105 . 15 PRO HG2 H 2.16 0.02 2 106 . 15 PRO HG3 H 2.32 0.02 2 107 . 15 PRO HD2 H 3.47 0.02 2 108 . 15 PRO HD3 H 3.79 0.02 2 109 . 16 ARG H H 9.05 0.02 1 110 . 16 ARG HA H 4.06 0.02 1 111 . 16 ARG HB2 H 2.00 0.02 2 112 . 16 ARG HB3 H 2.12 0.02 2 113 . 16 ARG HG2 H 1.86 0.02 1 114 . 16 ARG HG3 H 1.86 0.02 1 115 . 16 ARG HD2 H 3.37 0.02 1 116 . 16 ARG HD3 H 3.37 0.02 1 117 . 16 ARG HE H 7.64 0.02 1 118 . 16 ARG N N 127.06 0.10 1 119 . 16 ARG NE N 84.91 0.10 1 120 . 17 GLU H H 9.62 0.02 1 121 . 17 GLU HA H 4.29 0.02 1 122 . 17 GLU HB2 H 2.16 0.02 1 123 . 17 GLU HB3 H 2.16 0.02 1 124 . 17 GLU HG2 H 2.46 0.02 1 125 . 17 GLU HG3 H 2.46 0.02 1 126 . 17 GLU N N 116.85 0.10 1 127 . 18 VAL H H 7.33 0.02 1 128 . 18 VAL HA H 3.90 0.02 1 129 . 18 VAL HB H 2.47 0.02 1 130 . 18 VAL HG1 H 1.30 0.02 1 131 . 18 VAL HG2 H 1.30 0.02 1 132 . 18 VAL N N 118.47 0.10 1 133 . 19 LEU H H 8.25 0.02 1 134 . 19 LEU HA H 4.28 0.02 1 135 . 19 LEU HB2 H 1.78 0.02 2 136 . 19 LEU HB3 H 1.99 0.02 2 137 . 19 LEU HG H 1.88 0.02 1 138 . 19 LEU HD1 H 1.05 0.02 1 139 . 19 LEU HD2 H 1.05 0.02 1 140 . 19 LEU N N 121.70 0.10 1 141 . 20 ASP H H 8.92 0.02 1 142 . 20 ASP HA H 4.51 0.02 1 143 . 20 ASP HB2 H 2.70 0.02 2 144 . 20 ASP HB3 H 2.83 0.02 2 145 . 20 ASP N N 118.22 0.10 1 146 . 21 LEU H H 7.26 0.02 1 147 . 21 LEU HA H 4.21 0.02 1 148 . 21 LEU HB2 H 1.41 0.02 2 149 . 21 LEU HB3 H 1.59 0.02 2 150 . 21 LEU HG H 1.27 0.02 1 151 . 21 LEU HD1 H 0.43 0.02 2 152 . 21 LEU HD2 H 0.72 0.02 2 153 . 21 LEU N N 121.75 0.10 1 154 . 22 VAL H H 8.70 0.02 1 155 . 22 VAL HA H 3.90 0.02 1 156 . 22 VAL HB H 2.55 0.02 1 157 . 22 VAL HG1 H 1.29 0.02 1 158 . 22 VAL HG2 H 1.47 0.02 1 159 . 22 VAL N N 118.11 0.10 1 160 . 23 ARG H H 8.42 0.02 1 161 . 23 ARG HA H 4.03 0.02 1 162 . 23 ARG HB2 H 2.07 0.02 1 163 . 23 ARG HB3 H 2.07 0.02 1 164 . 23 ARG HG2 H 1.74 0.02 2 165 . 23 ARG HG3 H 1.96 0.02 2 166 . 23 ARG HD2 H 3.38 0.02 1 167 . 23 ARG HD3 H 3.38 0.02 1 168 . 23 ARG HE H 7.48 0.02 1 169 . 23 ARG N N 118.30 0.10 1 170 . 23 ARG NE N 84.04 0.10 1 171 . 24 LYS H H 7.97 0.02 1 172 . 24 LYS HA H 4.23 0.02 1 173 . 24 LYS HB2 H 2.10 0.02 1 174 . 24 LYS HB3 H 2.10 0.02 1 175 . 24 LYS HG2 H 1.51 0.02 2 176 . 24 LYS HG3 H 1.66 0.02 2 177 . 24 LYS HD2 H 1.79 0.02 1 178 . 24 LYS HD3 H 1.79 0.02 1 179 . 24 LYS HE2 H 3.06 0.02 1 180 . 24 LYS HE3 H 3.06 0.02 1 181 . 24 LYS N N 120.04 0.10 1 182 . 25 VAL H H 8.68 0.02 1 183 . 25 VAL HA H 3.99 0.02 1 184 . 25 VAL HB H 2.26 0.02 1 185 . 25 VAL HG1 H 1.17 0.02 1 186 . 25 VAL HG2 H 1.25 0.02 1 187 . 25 VAL N N 118.19 0.10 1 188 . 26 ALA H H 8.66 0.02 1 189 . 26 ALA HA H 4.34 0.02 1 190 . 26 ALA HB H 1.60 0.02 1 191 . 26 ALA N N 124.27 0.10 1 192 . 27 GLU H H 7.89 0.02 1 193 . 27 GLU HA H 4.23 0.02 1 194 . 27 GLU HB2 H 2.32 0.02 2 195 . 27 GLU HB3 H 2.41 0.02 2 196 . 27 GLU HG2 H 2.62 0.02 1 197 . 27 GLU HG3 H 2.62 0.02 1 198 . 27 GLU N N 116.74 0.10 1 199 . 28 GLU H H 8.33 0.02 1 200 . 28 GLU HA H 4.15 0.02 1 201 . 28 GLU HB2 H 2.20 0.02 2 202 . 28 GLU HB3 H 2.40 0.02 2 203 . 28 GLU HG2 H 2.69 0.02 1 204 . 28 GLU HG3 H 2.69 0.02 1 205 . 28 GLU N N 121.47 0.10 1 206 . 29 ASN H H 8.14 0.02 1 207 . 29 ASN HA H 4.15 0.02 1 208 . 29 ASN HB2 H 2.97 0.02 1 209 . 29 ASN HB3 H 2.97 0.02 1 210 . 29 ASN HD21 H 7.12 0.02 1 211 . 29 ASN HD22 H 8.38 0.02 1 212 . 29 ASN N N 115.46 0.10 1 213 . 29 ASN ND2 N 115.83 0.10 1 214 . 30 GLY H H 8.16 0.02 1 215 . 30 GLY HA2 H 4.09 0.02 1 216 . 30 GLY HA3 H 4.09 0.02 1 217 . 30 GLY N N 110.88 0.10 1 218 . 31 ARG H H 8.59 0.02 1 219 . 31 ARG HA H 5.01 0.02 1 220 . 31 ARG HB2 H 2.00 0.02 2 221 . 31 ARG HB3 H 2.09 0.02 2 222 . 31 ARG HG2 H 1.74 0.02 1 223 . 31 ARG HG3 H 1.74 0.02 1 224 . 31 ARG HD2 H 3.10 0.02 2 225 . 31 ARG HD3 H 3.43 0.02 2 226 . 31 ARG HE H 7.75 0.02 1 227 . 31 ARG N N 117.88 0.10 1 228 . 31 ARG NE N 84.50 0.10 1 229 . 32 SER H H 8.50 0.02 1 230 . 32 SER HA H 4.46 0.02 1 231 . 32 SER HB2 H 4.21 0.02 2 232 . 32 SER HB3 H 4.58 0.02 2 233 . 32 SER N N 114.49 0.10 1 234 . 33 VAL H H 9.01 0.02 1 235 . 33 VAL HA H 3.69 0.02 1 236 . 33 VAL HB H 2.26 0.02 1 237 . 33 VAL HG1 H 1.08 0.02 1 238 . 33 VAL HG2 H 1.25 0.02 1 239 . 33 VAL N N 121.42 0.10 1 240 . 34 ASN H H 8.55 0.02 1 241 . 34 ASN HA H 4.35 0.02 1 242 . 34 ASN HB2 H 2.76 0.02 2 243 . 34 ASN HB3 H 2.83 0.02 2 244 . 34 ASN HD21 H 6.77 0.02 1 245 . 34 ASN HD22 H 6.77 0.02 1 246 . 34 ASN N N 116.91 0.10 1 247 . 34 ASN ND2 N 112.72 0.10 1 248 . 35 SER H H 8.20 0.02 1 249 . 35 SER HA H 4.36 0.02 1 250 . 35 SER HB2 H 4.08 0.02 2 251 . 35 SER HB3 H 4.15 0.02 2 252 . 35 SER N N 114.41 0.10 1 253 . 36 GLU H H 8.76 0.02 1 254 . 36 GLU HA H 4.04 0.02 1 255 . 36 GLU HB2 H 2.24 0.02 1 256 . 36 GLU HB3 H 2.24 0.02 1 257 . 36 GLU HG2 H 2.45 0.02 2 258 . 36 GLU HG3 H 2.60 0.02 2 259 . 36 GLU N N 124.20 0.10 1 260 . 37 ILE H H 8.37 0.02 1 261 . 37 ILE HA H 3.76 0.02 1 262 . 37 ILE HB H 2.52 0.02 1 263 . 37 ILE HG12 H 1.46 0.02 1 264 . 37 ILE HG13 H 2.22 0.02 1 265 . 37 ILE HG2 H 1.41 0.02 1 266 . 37 ILE HD1 H 1.09 0.02 1 267 . 37 ILE N N 117.93 0.10 1 268 . 38 TYR H H 8.72 0.02 1 269 . 38 TYR HA H 3.45 0.02 1 270 . 38 TYR HB2 H 2.47 0.02 2 271 . 38 TYR HB3 H 2.84 0.02 2 272 . 38 TYR HD1 H 5.84 0.02 1 273 . 38 TYR HD2 H 5.84 0.02 1 274 . 38 TYR HE1 H 6.45 0.02 1 275 . 38 TYR HE2 H 6.45 0.02 1 276 . 38 TYR N N 119.93 0.10 1 277 . 39 GLN H H 8.60 0.02 1 278 . 39 GLN HA H 3.60 0.02 1 279 . 39 GLN HB2 H 2.19 0.02 1 280 . 39 GLN HB3 H 2.19 0.02 1 281 . 39 GLN HG2 H 2.45 0.02 2 282 . 39 GLN HG3 H 2.63 0.02 2 283 . 39 GLN HE21 H 6.83 0.02 2 284 . 39 GLN HE22 H 7.69 0.02 2 285 . 39 GLN N N 117.33 0.10 1 286 . 39 GLN NE2 N 111.32 0.10 1 287 . 40 ARG H H 7.75 0.02 1 288 . 40 ARG HA H 4.03 0.02 1 289 . 40 ARG HB2 H 1.82 0.02 1 290 . 40 ARG HB3 H 1.82 0.02 1 291 . 40 ARG HG2 H 1.72 0.02 1 292 . 40 ARG HG3 H 1.72 0.02 1 293 . 40 ARG HD2 H 2.72 0.02 2 294 . 40 ARG HD3 H 2.98 0.02 2 295 . 40 ARG HE H 9.46 0.02 1 296 . 40 ARG N N 118.12 0.10 1 297 . 40 ARG NE N 87.38 0.10 1 298 . 41 VAL H H 8.59 0.02 1 299 . 41 VAL HA H 3.40 0.02 1 300 . 41 VAL HB H 2.21 0.02 1 301 . 41 VAL HG1 H 0.91 0.02 1 302 . 41 VAL HG2 H 1.35 0.02 1 303 . 41 VAL N N 121.44 0.10 1 304 . 42 MET H H 8.95 0.02 1 305 . 42 MET HA H 4.22 0.02 1 306 . 42 MET HB2 H 1.69 0.02 2 307 . 42 MET HB3 H 1.83 0.02 2 308 . 42 MET HG2 H 1.99 0.02 1 309 . 42 MET HG3 H 1.99 0.02 1 310 . 42 MET N N 121.99 0.10 1 311 . 43 GLU H H 8.52 0.02 1 312 . 43 GLU HA H 4.08 0.02 1 313 . 43 GLU HB2 H 2.16 0.02 1 314 . 43 GLU HB3 H 2.16 0.02 1 315 . 43 GLU HG2 H 2.42 0.02 2 316 . 43 GLU HG3 H 2.50 0.02 2 317 . 43 GLU N N 119.37 0.10 1 318 . 44 SER H H 7.75 0.02 1 319 . 44 SER HA H 4.29 0.02 1 320 . 44 SER HB2 H 3.99 0.02 2 321 . 44 SER HB3 H 4.15 0.02 2 322 . 44 SER N N 116.46 0.10 1 323 . 45 PHE H H 7.61 0.02 1 324 . 45 PHE HA H 4.79 0.02 1 325 . 45 PHE HB2 H 3.23 0.02 1 326 . 45 PHE HB3 H 3.23 0.02 1 327 . 45 PHE HD1 H 7.37 0.02 1 328 . 45 PHE HD2 H 7.37 0.02 1 329 . 45 PHE HE1 H 7.23 0.02 1 330 . 45 PHE HE2 H 7.23 0.02 1 331 . 45 PHE HZ H 6.97 0.02 1 332 . 45 PHE N N 121.46 0.10 1 333 . 46 LYS H H 8.38 0.02 1 334 . 46 LYS HA H 4.37 0.02 1 335 . 46 LYS HB2 H 2.06 0.02 1 336 . 46 LYS HB3 H 2.06 0.02 1 337 . 46 LYS HG2 H 1.48 0.02 2 338 . 46 LYS HG3 H 1.68 0.02 2 339 . 46 LYS HD2 H 1.79 0.02 1 340 . 46 LYS HD3 H 1.79 0.02 1 341 . 46 LYS HE2 H 3.02 0.02 1 342 . 46 LYS HE3 H 3.02 0.02 1 343 . 46 LYS N N 122.87 0.10 1 344 . 47 LYS H H 8.50 0.02 1 345 . 47 LYS HA H 4.28 0.02 1 346 . 47 LYS HB2 H 2.03 0.02 1 347 . 47 LYS HB3 H 2.03 0.02 1 348 . 47 LYS HG2 H 1.62 0.02 1 349 . 47 LYS HG3 H 1.62 0.02 1 350 . 47 LYS HD2 H 1.80 0.02 1 351 . 47 LYS HD3 H 1.80 0.02 1 352 . 47 LYS HE2 H 3.10 0.02 1 353 . 47 LYS HE3 H 3.10 0.02 1 354 . 47 LYS N N 120.98 0.10 1 355 . 48 GLU H H 7.69 0.02 1 356 . 48 GLU HA H 4.44 0.02 1 357 . 48 GLU HB2 H 2.32 0.02 1 358 . 48 GLU HB3 H 2.32 0.02 1 359 . 48 GLU HG2 H 2.54 0.02 2 360 . 48 GLU HG3 H 2.64 0.02 2 361 . 48 GLU N N 116.96 0.10 1 362 . 49 GLY H H 8.14 0.02 1 363 . 49 GLY HA2 H 4.06 0.02 2 364 . 49 GLY HA3 H 4.18 0.02 2 365 . 49 GLY N N 108.01 0.10 1 366 . 50 ARG H H 8.15 0.02 1 367 . 50 ARG HA H 4.42 0.02 1 368 . 50 ARG HB2 H 1.75 0.02 2 369 . 50 ARG HB3 H 2.02 0.02 2 370 . 50 ARG HG2 H 1.76 0.02 1 371 . 50 ARG HG3 H 1.76 0.02 1 372 . 50 ARG HD2 H 3.19 0.02 2 373 . 50 ARG HD3 H 3.27 0.02 2 374 . 50 ARG HE H 7.67 0.02 1 375 . 50 ARG N N 117.36 0.10 1 376 . 50 ARG NE N 83.57 0.10 1 377 . 51 ILE H H 7.63 0.02 1 378 . 51 ILE HA H 4.33 0.02 1 379 . 51 ILE HB H 1.80 0.02 1 380 . 51 ILE HG12 H 1.14 0.02 2 381 . 51 ILE HG13 H 1.48 0.02 2 382 . 51 ILE HG2 H 0.92 0.02 1 383 . 51 ILE HD1 H 0.92 0.02 1 384 . 51 ILE N N 117.09 0.10 1 385 . 52 GLY H H 8.62 0.02 1 386 . 52 GLY HA2 H 3.98 0.02 2 387 . 52 GLY HA3 H 4.07 0.02 2 388 . 52 GLY N N 113.16 0.10 1 389 . 53 ALA H H 8.25 0.02 1 390 . 53 ALA HA H 4.33 0.02 1 391 . 53 ALA HB H 1.36 0.02 1 392 . 53 ALA N N 123.35 0.10 1 393 . 60 LYS H H 8.66 0.02 1 394 . 60 LYS HA H 4.37 0.02 1 395 . 60 LYS HB2 H 1.88 0.02 1 396 . 60 LYS HB3 H 1.88 0.02 1 397 . 60 LYS HG2 H 1.51 0.02 1 398 . 60 LYS HG3 H 1.51 0.02 1 399 . 60 LYS HD2 H 1.79 0.02 1 400 . 60 LYS HD3 H 1.79 0.02 1 401 . 60 LYS HE2 H 3.10 0.02 1 402 . 60 LYS HE3 H 3.10 0.02 1 403 . 60 LYS N N 123.36 0.10 1 404 . 61 ASN H H 8.74 0.02 1 405 . 61 ASN HA H 4.78 0.02 1 406 . 61 ASN HB2 H 2.91 0.02 2 407 . 61 ASN HB3 H 2.99 0.02 2 408 . 61 ASN N N 120.11 0.10 1 409 . 62 GLN H H 8.42 0.02 1 410 . 62 GLN HA H 4.39 0.02 1 411 . 62 GLN HB2 H 2.04 0.02 2 412 . 62 GLN HB3 H 2.14 0.02 2 413 . 62 GLN HG2 H 2.40 0.02 1 414 . 62 GLN HG3 H 2.40 0.02 1 415 . 62 GLN N N 120.18 0.10 1 416 . 63 HIS H H 8.57 0.02 1 417 . 63 HIS HA H 4.79 0.02 1 418 . 63 HIS N N 119.25 0.10 1 419 . 64 GLU H H 8.31 0.02 1 420 . 64 GLU HA H 4.26 0.02 1 421 . 64 GLU HB2 H 2.02 0.02 2 422 . 64 GLU HB3 H 2.20 0.02 2 423 . 64 GLU HG2 H 2.35 0.02 1 424 . 64 GLU HG3 H 2.35 0.02 1 425 . 64 GLU N N 127.55 0.10 1 stop_ save_