data_6011 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of a homodimeric hypotetical protein, At5g22580, a structural genomics target from Arabidopsis Thaliana ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1. Cornilescu Gabriel . . 2. Cornilescu Claudia C. . 3. Zhao Qin . . 4. Frederick Ronnie O. . 5. Peterson Francis C. . 6. Thao Sandy . . 7. Markley John L. . stop_ _BMRB_accession_number 6011 _BMRB_flat_file_name bmr6011.str _Entry_type new _Submission_date 2003-11-19 _Accession_date 2003-11-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 558 '15N chemical shifts' 111 '13C chemical shifts' 437 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Solution structure of a homodimeric hypotetical protein, At5g22580, a structural genomics target from Arabidopsis Thaliana ; _Citation_status 'in preparation' _Citation_type journal _MEDLINE_UI_code . _PubMed_ID . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1. Cornilescu Gabriel . . 2. Cornilescu Claudia C. . 3. Zhao Qin . . 4. Frederick Ronnie O. . 5. Peterson Francis C. . 6. Thao Sandy . . 7. Markley John L. . stop_ _Journal_abbreviation "J. Biomol. NMR" _Journal_volume ? _Journal_issue ? _Page_first ? _Page_last ? _Year ? loop_ _Keyword "At5g22580" "CESG" "Center for Eukaryotic Structural Genomics" "homodimer" "residual dipolar couplings" stop_ save_ ################################## # Molecular system description # ################################## save_system_At5g22580 _Saveframe_category molecular_system _Mol_system_name At5g22580 _Abbreviation_common At5g22580 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "At5g22580 subunit 1" $At5g22580 "At5g22580 subunit 2" $At5g22580 stop_ _System_physical_state native _System_oligomer_state homodimer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 "At5g22580 subunit 1" 1 "At5g22580 subunit 2" stop_ loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1RJJ ? . stop_ save_ ######################## # Monomeric polymers # ######################## save_At5g22580 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common At5g22580 _Name_variant . _Abbreviation_common At5g22580 _Mol_thiol_state 'not present' ############################## # Polymer residue sequence # ############################## _Residue_count 111 _Mol_residue_sequence ; MATSGFKHLVVVKFKEDTKV DEILKGLENLVSQIDTVKSF EWGEDKESHDMLRQGFTHAF SMTFENKDGYVAFTSHPLHV EFSAAFTAVIDKIVLLDFPV AAVKSSVVATP ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 THR 4 SER 5 GLY 6 PHE 7 LYS 8 HIS 9 LEU 10 VAL 11 VAL 12 VAL 13 LYS 14 PHE 15 LYS 16 GLU 17 ASP 18 THR 19 LYS 20 VAL 21 ASP 22 GLU 23 ILE 24 LEU 25 LYS 26 GLY 27 LEU 28 GLU 29 ASN 30 LEU 31 VAL 32 SER 33 GLN 34 ILE 35 ASP 36 THR 37 VAL 38 LYS 39 SER 40 PHE 41 GLU 42 TRP 43 GLY 44 GLU 45 ASP 46 LYS 47 GLU 48 SER 49 HIS 50 ASP 51 MET 52 LEU 53 ARG 54 GLN 55 GLY 56 PHE 57 THR 58 HIS 59 ALA 60 PHE 61 SER 62 MET 63 THR 64 PHE 65 GLU 66 ASN 67 LYS 68 ASP 69 GLY 70 TYR 71 VAL 72 ALA 73 PHE 74 THR 75 SER 76 HIS 77 PRO 78 LEU 79 HIS 80 VAL 81 GLU 82 PHE 83 SER 84 ALA 85 ALA 86 PHE 87 THR 88 ALA 89 VAL 90 ILE 91 ASP 92 LYS 93 ILE 94 VAL 95 LEU 96 LEU 97 ASP 98 PHE 99 PRO 100 VAL 101 ALA 102 ALA 103 VAL 104 LYS 105 SER 106 SER 107 VAL 108 VAL 109 ALA 110 THR 111 PRO stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Plasmid $At5g22580 "Thale Cress" 3702 Eukaryota Viridiplantae Arabidopsis thaliana Rosetta(DE3)/pLysS pET15b stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $At5g22580 'recombinant technology' "E. coli" Escherichia coli . plasmid pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_C/N_sample _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $At5g22580 1.0 mM "[U-95% 13C; U-90% 15N]" NaPi 50 mM . NaN3 0.1 mM . H2O 93 % . D2O 7 % . stop_ save_ save_rdc _Saveframe_category sample _Sample_type b_bicell loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $At5g22580 0.3 mM "[U-95% 13C; U-90% 15N]" "C12E5 polyethylene glycol/hexanol, 0.96/1.0" 5 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; HN-HSQC IPAP-HSQC HNCO HNCACB CBCA(CO)NH HBHA(CO)NH C(CO)NH H(CCO)NH HCCH-TOCSY 3D-C13-NOE 3D-N15-NOE diffusion N15-T2 ; save_ ####################### # Sample conditions # ####################### save_cond_LC _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 n/a temperature 308 1 K stop_ save_ save_cond_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_all _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $C/N_sample stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "At5g22580 subunit 1" loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 MET CA C 55.3 . 1 2 1 MET HA H 4.50 . 1 3 1 MET CB C 33.3 . 1 4 1 MET HB2 H 2.02 . 2 5 1 MET HB3 H 1.99 . 2 6 1 MET CG C 31.9 . 1 7 1 MET HG2 H 2.52 . 2 8 1 MET HG3 H 2.48 . 2 9 1 MET C C 175.6 . 1 10 2 ALA N N 126.1 . 1 11 2 ALA H H 8.52 . 1 12 2 ALA CA C 52.4 . 1 13 2 ALA HA H 4.50 . 1 14 2 ALA HB H 1.43 . 1 15 2 ALA CB C 19.7 . 1 16 2 ALA C C 177.6 . 1 17 3 THR N N 113.6 . 1 18 3 THR H H 8.25 . 1 19 3 THR CA C 61.2 . 1 20 3 THR HA H 4.68 . 1 21 3 THR CB C 70.4 . 1 22 3 THR HB H 4.29 . 1 23 3 THR HG2 H 1.20 . 1 24 3 THR CG2 C 21.6 . 1 25 3 THR C C 174.8 . 1 26 4 SER N N 118.2 . 1 27 4 SER H H 8.65 . 1 28 4 SER CA C 57.8 . 1 29 4 SER HA H 4.65 . 1 30 4 SER CB C 64.1 . 1 31 4 SER HB2 H 3.83 . 1 32 4 SER HB3 H 3.83 . 1 33 4 SER C C 174.0 . 1 34 5 GLY N N 109.0 . 1 35 5 GLY H H 8.18 . 1 36 5 GLY CA C 44.7 . 1 37 5 GLY HA2 H 4.05 . 2 38 5 GLY HA3 H 4.19 . 2 39 5 GLY C C 172.6 . 1 40 6 PHE N N 123.5 . 1 41 6 PHE H H 8.51 . 1 42 6 PHE CA C 57.8 . 1 43 6 PHE HA H 4.70 . 1 44 6 PHE CB C 42.9 . 1 45 6 PHE HB2 H 2.56 . 2 46 6 PHE HB3 H 2.50 . 2 47 6 PHE C C 172.2 . 1 48 7 LYS N N 130.8 . 1 49 7 LYS H H 8.59 . 1 50 7 LYS CA C 54.3 . 1 51 7 LYS HA H 4.91 . 1 52 7 LYS CB C 35.1 . 1 53 7 LYS HB2 H 0.61 . 2 54 7 LYS HB3 H 0.64 . 2 55 7 LYS CG C 25.2 . 1 56 7 LYS HG2 H 0.89 . 2 57 7 LYS HG3 H 0.83 . 2 58 7 LYS CD C 29.4 . 1 59 7 LYS HD2 H 1.38 . 2 60 7 LYS HD3 H 1.33 . 2 61 7 LYS CE C 41.7 . 1 62 7 LYS HE2 H 2.65 . 2 63 7 LYS HE3 H 2.47 . 2 64 7 LYS C C 171.3 . 1 65 8 HIS N N 123.0 . 1 66 8 HIS H H 8.46 . 1 67 8 HIS CA C 53.1 . 1 68 8 HIS HA H 5.49 . 1 69 8 HIS CB C 32.6 . 1 70 8 HIS HB2 H 2.45 . 2 71 8 HIS HB3 H 3.17 . 2 72 8 HIS C C 172.0 . 1 73 9 LEU N N 131.1 . 1 74 9 LEU H H 9.23 . 1 75 9 LEU CA C 53.7 . 1 76 9 LEU HA H 4.80 . 1 77 9 LEU CB C 45.2 . 1 78 9 LEU HB2 H 2.09 . 2 79 9 LEU HB3 H 0.89 . 2 80 9 LEU CG C 27.8 . 1 81 9 LEU HG H 1.26 . 1 82 9 LEU HD1 H 0.70 . 2 83 9 LEU HD2 H 0.67 . 2 84 9 LEU CD1 C 23.2 . 1 85 9 LEU CD2 C 26.7 . 1 86 9 LEU C C 172.8 . 1 87 10 VAL N N 124.3 . 1 88 10 VAL H H 8.67 . 1 89 10 VAL CA C 60.3 . 1 90 10 VAL HA H 4.68 . 1 91 10 VAL CB C 34.2 . 1 92 10 VAL HB H 1.26 . 1 93 10 VAL HG1 H 0.47 . 2 94 10 VAL HG2 H 0.81 . 2 95 10 VAL CG1 C 20.9 . 1 96 10 VAL CG2 C 22.6 . 1 97 10 VAL C C 174.2 . 1 98 11 VAL N N 127.3 . 1 99 11 VAL H H 8.95 . 1 100 11 VAL CA C 60.9 . 1 101 11 VAL HA H 4.81 . 1 102 11 VAL CB C 33.6 . 1 103 11 VAL HB H 1.40 . 1 104 11 VAL HG1 H 0.32 . 2 105 11 VAL HG2 H 0.38 . 2 106 11 VAL CG1 C 21.4 . 1 107 11 VAL CG2 C 20.4 . 1 108 11 VAL C C 175.4 . 1 109 12 VAL N N 120.7 . 1 110 12 VAL H H 9.22 . 1 111 12 VAL CA C 60.5 . 1 112 12 VAL HA H 5.37 . 1 113 12 VAL CB C 37.9 . 1 114 12 VAL HB H 1.74 . 1 115 12 VAL HG1 H 0.52 . 2 116 12 VAL HG2 H 0.60 . 2 117 12 VAL CG1 C 21.6 . 1 118 12 VAL CG2 C 22.0 . 1 119 12 VAL C C 174.0 . 1 120 13 LYS N N 125.3 . 1 121 13 LYS H H 8.46 . 1 122 13 LYS CA C 55.7 . 1 123 13 LYS HA H 4.84 . 1 124 13 LYS CB C 37.8 . 1 125 13 LYS HB2 H 1.46 . 1 126 13 LYS HB3 H 1.46 . 1 127 13 LYS CG C 27.5 . 1 128 13 LYS HG2 H 1.52 . 1 129 13 LYS HG3 H 1.52 . 1 130 13 LYS CD C 29.0 . 1 131 13 LYS HD2 H 1.66 . 1 132 13 LYS HD3 H 1.66 . 1 133 13 LYS CE C 42.1 . 1 134 13 LYS HE2 H 2.96 . 1 135 13 LYS HE3 H 2.96 . 1 136 13 LYS C C 176.3 . 1 137 14 PHE N N 128.8 . 1 138 14 PHE H H 10.08 . 1 139 14 PHE CA C 59.4 . 1 140 14 PHE HA H 4.82 . 1 141 14 PHE CB C 40.1 . 1 142 14 PHE HB2 H 2.94 . 2 143 14 PHE HB3 H 3.28 . 2 144 14 PHE C C 176.1 . 1 145 15 LYS N N 119.3 . 1 146 15 LYS H H 8.44 . 1 147 15 LYS CA C 57.5 . 1 148 15 LYS HA H 4.20 . 1 149 15 LYS CB C 33.7 . 1 150 15 LYS HB2 H 1.63 . 1 151 15 LYS HB3 H 1.63 . 1 152 15 LYS CG C 26.4 . 1 153 15 LYS HG2 H 1.36 . 2 154 15 LYS HG3 H 1.09 . 2 155 15 LYS CE C 42.3 . 1 156 15 LYS HE2 H 2.96 . 1 157 15 LYS HE3 H 2.96 . 1 158 15 LYS C C 178.8 . 1 159 16 GLU N N 123.8 . 1 160 16 GLU H H 9.03 . 1 161 16 GLU CA C 58.9 . 1 162 16 GLU HA H 4.12 . 1 163 16 GLU CB C 29.9 . 1 164 16 GLU HB2 H 2.03 . 1 165 16 GLU HB3 H 2.03 . 1 166 16 GLU CG C 36.4 . 1 167 16 GLU HG2 H 2.37 . 1 168 16 GLU HG3 H 2.37 . 1 169 16 GLU C C 176.3 . 1 170 17 ASP N N 116.5 . 1 171 17 ASP H H 8.72 . 1 172 17 ASP CA C 54.8 . 1 173 17 ASP HA H 4.46 . 1 174 17 ASP CB C 39.5 . 1 175 17 ASP HB2 H 2.78 . 2 176 17 ASP HB3 H 2.83 . 2 177 17 ASP C C 175.9 . 1 178 18 THR N N 116.5 . 1 179 18 THR H H 7.53 . 1 180 18 THR CA C 64.3 . 1 181 18 THR HA H 3.92 . 1 182 18 THR CB C 69.5 . 1 183 18 THR HB H 3.89 . 1 184 18 THR HG2 H 0.82 . 1 185 18 THR CG2 C 21.5 . 1 186 18 THR C C 174.6 . 1 187 19 LYS N N 129.0 . 1 188 19 LYS H H 9.03 . 1 189 19 LYS CA C 54.8 . 1 190 19 LYS HA H 4.48 . 1 191 19 LYS CB C 29.6 . 1 192 19 LYS HB2 H 1.84 . 2 193 19 LYS HB3 H 1.79 . 2 194 19 LYS CG C 24.7 . 1 195 19 LYS HG2 H 1.50 . 2 196 19 LYS HG3 H 1.43 . 2 197 19 LYS HD2 H 1.68 . 1 198 19 LYS HD3 H 1.68 . 1 199 19 LYS CE C 42.3 . 1 200 19 LYS HE2 H 3.01 . 1 201 19 LYS HE3 H 3.01 . 1 202 19 LYS C C 176.2 . 1 203 20 VAL N N 126.1 . 1 204 20 VAL H H 7.95 . 1 205 20 VAL CA C 66.4 . 1 206 20 VAL HA H 2.85 . 1 207 20 VAL CB C 31.6 . 1 208 20 VAL HB H 1.81 . 1 209 20 VAL HG1 H 0.48 . 2 210 20 VAL HG2 H 0.51 . 2 211 20 VAL CG1 C 21.9 . 1 212 20 VAL CG2 C 22.4 . 1 213 20 VAL C C 176.8 . 1 214 21 ASP N N 117.7 . 1 215 21 ASP H H 8.73 . 1 216 21 ASP CA C 57.3 . 1 217 21 ASP HA H 4.15 . 1 218 21 ASP CB C 39.6 . 1 219 21 ASP HB2 H 2.64 . 2 220 21 ASP HB3 H 2.54 . 2 221 21 ASP C C 178.8 . 1 222 22 GLU N N 118.5 . 1 223 22 GLU H H 7.41 . 1 224 22 GLU CA C 59.0 . 1 225 22 GLU HA H 4.03 . 1 226 22 GLU CB C 29.9 . 1 227 22 GLU HB2 H 2.07 . 1 228 22 GLU HB3 H 2.07 . 1 229 22 GLU CG C 36.4 . 1 230 22 GLU HG2 H 2.22 . 1 231 22 GLU HG3 H 2.22 . 1 232 22 GLU C C 179.8 . 1 233 23 ILE N N 122.5 . 1 234 23 ILE H H 7.34 . 1 235 23 ILE CA C 61.9 . 1 236 23 ILE HA H 3.99 . 1 237 23 ILE CB C 35.6 . 1 238 23 ILE HB H 2.14 . 1 239 23 ILE HG2 H 1.04 . 1 240 23 ILE CG2 C 17.7 . 1 241 23 ILE CG1 C 27.6 . 1 242 23 ILE HG12 H 1.51 . 2 243 23 ILE HG13 H 1.19 . 2 244 23 ILE HD1 H 0.69 . 1 245 23 ILE CD1 C 9.7 . 1 246 23 ILE C C 177.7 . 1 247 24 LEU N N 120.9 . 1 248 24 LEU H H 8.04 . 1 249 24 LEU CA C 57.8 . 1 250 24 LEU HA H 3.61 . 1 251 24 LEU CB C 40.4 . 1 252 24 LEU HB2 H 1.17 . 2 253 24 LEU HB3 H 1.09 . 2 254 24 LEU CG C 26.4 . 1 255 24 LEU HG H 1.20 . 1 256 24 LEU HD1 H 0.16 . 2 257 24 LEU HD2 H 0.11 . 2 258 24 LEU CD1 C 23.3 . 1 259 24 LEU CD2 C 23.0 . 1 260 24 LEU C C 178.9 . 1 261 25 LYS N N 118.5 . 1 262 25 LYS H H 7.75 . 1 263 25 LYS CA C 59.1 . 1 264 25 LYS HA H 4.03 . 1 265 25 LYS CB C 32.0 . 1 266 25 LYS HB2 H 1.82 . 1 267 25 LYS HB3 H 1.82 . 1 268 25 LYS CG C 24.9 . 1 269 25 LYS HG2 H 1.52 . 2 270 25 LYS HG3 H 1.42 . 2 271 25 LYS CD C 29.0 . 1 272 25 LYS HD2 H 1.65 . 1 273 25 LYS HD3 H 1.65 . 1 274 25 LYS CE C 42.1 . 1 275 25 LYS HE2 H 2.93 . 1 276 25 LYS HE3 H 2.93 . 1 277 25 LYS C C 179.5 . 1 278 26 GLY N N 107.5 . 1 279 26 GLY H H 7.82 . 1 280 26 GLY CA C 47.1 . 1 281 26 GLY HA2 H 3.92 . 2 282 26 GLY HA3 H 3.85 . 2 283 26 GLY C C 176.6 . 1 284 27 LEU N N 125.1 . 1 285 27 LEU H H 8.19 . 1 286 27 LEU CA C 57.6 . 1 287 27 LEU HA H 3.31 . 1 288 27 LEU CB C 42.0 . 1 289 27 LEU HB2 H 1.01 . 2 290 27 LEU HB3 H 1.56 . 2 291 27 LEU CG C 26.5 . 1 292 27 LEU HG H 1.18 . 1 293 27 LEU HD1 H 0.20 . 2 294 27 LEU HD2 H 0.07 . 2 295 27 LEU CD1 C 24.6 . 1 296 27 LEU CD2 C 24.2 . 1 297 27 LEU C C 177.9 . 1 298 28 GLU N N 118.8 . 1 299 28 GLU H H 8.39 . 1 300 28 GLU CA C 60.0 . 1 301 28 GLU HA H 3.57 . 1 302 28 GLU CB C 29.4 . 1 303 28 GLU HB2 H 2.03 . 1 304 28 GLU HB3 H 2.03 . 1 305 28 GLU CG C 36.9 . 1 306 28 GLU HG2 H 2.42 . 2 307 28 GLU HG3 H 2.11 . 2 308 28 GLU C C 179.2 . 1 309 29 ASN N N 117.3 . 1 310 29 ASN H H 7.99 . 1 311 29 ASN CA C 56.3 . 1 312 29 ASN HA H 4.35 . 1 313 29 ASN CB C 38.7 . 1 314 29 ASN HB2 H 2.75 . 2 315 29 ASN HB3 H 2.79 . 2 316 29 ASN CG C 175.8 . 1 317 29 ASN ND2 N 113.3 . 1 318 29 ASN HD22 H 6.93 . 2 319 29 ASN C C 177.3 . 1 320 30 LEU N N 120.8 . 1 321 30 LEU H H 7.75 . 1 322 30 LEU CA C 58.5 . 1 323 30 LEU HA H 3.85 . 1 324 30 LEU CB C 42.1 . 1 325 30 LEU HB2 H 1.43 . 2 326 30 LEU HB3 H 1.64 . 2 327 30 LEU CG C 26.6 . 1 328 30 LEU HG H 1.45 . 1 329 30 LEU HD1 H 0.56 . 2 330 30 LEU HD2 H 0.52 . 2 331 30 LEU CD1 C 25.7 . 1 332 30 LEU CD2 C 25.9 . 1 333 30 LEU C C 178.3 . 1 334 31 VAL N N 111.7 . 1 335 31 VAL H H 7.96 . 1 336 31 VAL CA C 65.4 . 1 337 31 VAL HA H 3.62 . 1 338 31 VAL CB C 30.9 . 1 339 31 VAL HB H 1.96 . 1 340 31 VAL HG1 H 0.65 . 2 341 31 VAL HG2 H 0.68 . 2 342 31 VAL CG1 C 20.4 . 1 343 31 VAL CG2 C 21.4 . 1 344 31 VAL C C 177.3 . 1 345 32 SER N N 114.1 . 1 346 32 SER H H 7.61 . 1 347 32 SER CA C 60.8 . 1 348 32 SER HA H 4.20 . 1 349 32 SER CB C 63.4 . 1 350 32 SER HB2 H 4.00 . 1 351 32 SER HB3 H 4.00 . 1 352 32 SER C C 175.4 . 1 353 33 GLN N N 117.2 . 1 354 33 GLN H H 7.34 . 1 355 33 GLN CA C 56.3 . 1 356 33 GLN HA H 4.36 . 1 357 33 GLN CB C 31.0 . 1 358 33 GLN HB2 H 1.83 . 2 359 33 GLN HB3 H 2.17 . 2 360 33 GLN CG C 34.3 . 1 361 33 GLN HG2 H 2.31 . 2 362 33 GLN HG3 H 2.33 . 2 363 33 GLN C C 175.5 . 1 364 34 ILE N N 119.9 . 1 365 34 ILE H H 7.20 . 1 366 34 ILE CA C 61.5 . 1 367 34 ILE HA H 4.18 . 1 368 34 ILE CB C 38.1 . 1 369 34 ILE HB H 1.80 . 1 370 34 ILE HG2 H 1.13 . 1 371 34 ILE CG2 C 18.2 . 1 372 34 ILE CG1 C 26.0 . 1 373 34 ILE HG12 H 1.41 . 2 374 34 ILE HG13 H -0.01 . 2 375 34 ILE HD1 H 0.49 . 1 376 34 ILE CD1 C 14.5 . 1 377 34 ILE C C 175.6 . 1 378 35 ASP N N 126.4 . 1 379 35 ASP H H 8.55 . 1 380 35 ASP CA C 56.3 . 1 381 35 ASP HA H 4.34 . 1 382 35 ASP CB C 40.7 . 1 383 35 ASP HB2 H 2.81 . 2 384 35 ASP HB3 H 2.69 . 2 385 35 ASP C C 177.2 . 1 386 36 THR N N 107.0 . 1 387 36 THR H H 7.28 . 1 388 36 THR CA C 62.8 . 1 389 36 THR HA H 4.20 . 1 390 36 THR CB C 69.6 . 1 391 36 THR HB H 4.46 . 1 392 36 THR HG2 H 1.42 . 1 393 36 THR CG2 C 23.7 . 1 394 36 THR C C 175.7 . 1 395 37 VAL N N 120.0 . 1 396 37 VAL H H 7.42 . 1 397 37 VAL CA C 62.8 . 1 398 37 VAL HA H 3.27 . 1 399 37 VAL CB C 30.8 . 1 400 37 VAL HB H 2.04 . 1 401 37 VAL HG1 H 0.70 . 2 402 37 VAL HG2 H 0.53 . 2 403 37 VAL CG1 C 22.2 . 1 404 37 VAL CG2 C 22.1 . 1 405 37 VAL C C 175.2 . 1 406 38 LYS N N 127.9 . 1 407 38 LYS H H 8.49 . 1 408 38 LYS CA C 55.6 . 1 409 38 LYS HA H 4.24 . 1 410 38 LYS CB C 31.5 . 1 411 38 LYS HB2 H 1.67 . 1 412 38 LYS HB3 H 1.67 . 1 413 38 LYS CG C 24.2 . 1 414 38 LYS HG2 H 1.51 . 1 415 38 LYS HG3 H 1.51 . 1 416 38 LYS CD C 27.6 . 1 417 38 LYS HD2 H 1.54 . 1 418 38 LYS HD3 H 1.54 . 1 419 38 LYS CE C 42.1 . 1 420 38 LYS HE2 H 2.96 . 1 421 38 LYS HE3 H 2.96 . 1 422 38 LYS C C 177.2 . 1 423 39 SER N N 109.8 . 1 424 39 SER H H 7.26 . 1 425 39 SER CA C 57.3 . 1 426 39 SER HA H 4.59 . 1 427 39 SER CB C 65.4 . 1 428 39 SER HB2 H 3.81 . 2 429 39 SER HB3 H 3.70 . 2 430 39 SER C C 171.8 . 1 431 40 PHE N N 122.8 . 1 432 40 PHE H H 8.72 . 1 433 40 PHE CA C 55.7 . 1 434 40 PHE HA H 5.77 . 1 435 40 PHE CB C 43.3 . 1 436 40 PHE HB2 H 2.69 . 2 437 40 PHE HB3 H 3.11 . 2 438 40 PHE C C 172.6 . 1 439 41 GLU N N 126.8 . 1 440 41 GLU H H 8.40 . 1 441 41 GLU CA C 54.0 . 1 442 41 GLU HA H 4.93 . 1 443 41 GLU CB C 34.0 . 1 444 41 GLU HB2 H 1.83 . 2 445 41 GLU HB3 H 1.76 . 2 446 41 GLU CG C 35.9 . 1 447 41 GLU HG2 H 2.03 . 2 448 41 GLU HG3 H 1.97 . 2 449 41 GLU C C 172.7 . 1 450 42 TRP N N 120.4 . 1 451 42 TRP H H 8.44 . 1 452 42 TRP CA C 55.5 . 1 453 42 TRP NE1 N 130.4 . 1 454 42 TRP C C 173.0 . 1 455 43 GLY N N 107.6 . 1 456 43 GLY H H 7.88 . 1 457 43 GLY CA C 45.1 . 1 458 43 GLY HA2 H 2.86 . 2 459 43 GLY HA3 H 3.73 . 2 460 43 GLY C C 169.5 . 1 461 44 GLU N N 119.3 . 1 462 44 GLU H H 8.05 . 1 463 44 GLU CA C 53.4 . 1 464 44 GLU HA H 4.78 . 1 465 44 GLU CB C 34.2 . 1 466 44 GLU HB2 H 1.77 . 2 467 44 GLU HB3 H 1.42 . 2 468 44 GLU CG C 36.5 . 1 469 44 GLU HG2 H 1.56 . 1 470 44 GLU HG3 H 1.56 . 1 471 44 GLU C C 174.3 . 1 472 45 ASP N N 125.8 . 1 473 45 ASP H H 8.88 . 1 474 45 ASP CA C 53.2 . 1 475 45 ASP HA H 4.97 . 1 476 45 ASP CB C 43.3 . 1 477 45 ASP HB2 H 2.53 . 2 478 45 ASP HB3 H 2.95 . 2 479 45 ASP C C 174.3 . 1 480 46 LYS N N 120.2 . 1 481 46 LYS H H 8.54 . 1 482 46 LYS CA C 55.1 . 1 483 46 LYS HA H 4.60 . 1 484 46 LYS CB C 33.4 . 1 485 46 LYS HB2 H 2.03 . 2 486 46 LYS HB3 H 1.75 . 2 487 46 LYS CG C 25.2 . 1 488 46 LYS HG2 H 1.41 . 1 489 46 LYS HG3 H 1.41 . 1 490 46 LYS CD C 29.7 . 1 491 46 LYS HD2 H 1.76 . 2 492 46 LYS HD3 H 1.45 . 2 493 46 LYS CE C 42.1 . 1 494 46 LYS HE2 H 3.06 . 1 495 46 LYS HE3 H 3.06 . 1 496 46 LYS C C 177.1 . 1 497 47 GLU N N 121.0 . 1 498 47 GLU H H 8.96 . 1 499 47 GLU CA C 57.6 . 1 500 47 GLU HA H 4.50 . 1 501 47 GLU CB C 32.8 . 1 502 47 GLU HB2 H 2.38 . 2 503 47 GLU HB3 H 2.15 . 2 504 47 GLU CG C 36.8 . 1 505 47 GLU HG2 H 2.32 . 1 506 47 GLU HG3 H 2.32 . 1 507 47 GLU C C 178.0 . 1 508 48 SER N N 119.9 . 1 509 48 SER H H 9.82 . 1 510 48 SER CA C 59.6 . 1 511 48 SER HA H 4.46 . 1 512 48 SER CB C 62.5 . 1 513 48 SER HB2 H 3.85 . 2 514 48 SER HB3 H 3.71 . 2 515 48 SER C C 174.8 . 1 516 49 HIS N N 124.5 . 1 517 49 HIS H H 9.00 . 1 518 49 HIS CA C 58.7 . 1 519 49 HIS HA H 4.33 . 1 520 49 HIS CB C 31.3 . 1 521 49 HIS HB2 H 3.09 . 2 522 49 HIS HB3 H 3.27 . 2 523 49 HIS C C 176.9 . 1 524 50 ASP N N 126.6 . 1 525 50 ASP H H 8.59 . 1 526 50 ASP CA C 58.5 . 1 527 50 ASP HA H 3.85 . 1 528 50 ASP CB C 42.2 . 1 529 50 ASP HB2 H 2.60 . 2 530 50 ASP HB3 H 2.53 . 2 531 50 ASP C C 178.6 . 1 532 51 MET N N 119.5 . 1 533 51 MET H H 10.44 . 1 534 51 MET CA C 58.5 . 1 535 51 MET HA H 4.35 . 1 536 51 MET CB C 32.4 . 1 537 51 MET HB2 H 2.23 . 2 538 51 MET HB3 H 2.14 . 2 539 51 MET CG C 32.5 . 1 540 51 MET HG2 H 2.70 . 2 541 51 MET HG3 H 2.66 . 2 542 51 MET C C 178.9 . 1 543 52 LEU N N 119.8 . 1 544 52 LEU H H 7.76 . 1 545 52 LEU CA C 57.0 . 1 546 52 LEU HA H 4.41 . 1 547 52 LEU CB C 42.0 . 1 548 52 LEU HB2 H 2.20 . 2 549 52 LEU HB3 H 1.81 . 2 550 52 LEU HD1 H 1.15 . 2 551 52 LEU HD2 H 0.98 . 2 552 52 LEU CD1 C 25.8 . 1 553 52 LEU CD2 C 22.9 . 1 554 52 LEU C C 177.7 . 1 555 53 ARG N N 115.1 . 1 556 53 ARG H H 7.25 . 1 557 53 ARG CA C 57.3 . 1 558 53 ARG HA H 4.62 . 1 559 53 ARG CB C 31.6 . 1 560 53 ARG CD C 43.7 . 1 561 53 ARG NE N 87.6 . 1 562 53 ARG HE H 6.94 . 1 563 53 ARG C C 177.6 . 1 564 54 GLN N N 113.7 . 1 565 54 GLN H H 8.24 . 1 566 54 GLN CA C 56.6 . 1 567 54 GLN HA H 3.97 . 1 568 54 GLN CB C 26.8 . 1 569 54 GLN HB2 H 2.44 . 1 570 54 GLN HB3 H 2.44 . 1 571 54 GLN CG C 34.3 . 1 572 54 GLN HG2 H 2.64 . 2 573 54 GLN HG3 H 2.51 . 2 574 54 GLN CD C 181.0 . 1 575 54 GLN NE2 N 112.0 . 1 576 54 GLN HE22 H 6.61 . 2 577 54 GLN C C 175.8 . 1 578 55 GLY N N 102.2 . 1 579 55 GLY H H 7.80 . 1 580 55 GLY CA C 45.4 . 1 581 55 GLY HA2 H 3.67 . 2 582 55 GLY HA3 H 4.01 . 2 583 55 GLY C C 174.3 . 1 584 56 PHE N N 120.4 . 1 585 56 PHE H H 7.86 . 1 586 56 PHE CA C 61.2 . 1 587 56 PHE HA H 4.04 . 1 588 56 PHE CB C 38.9 . 1 589 56 PHE HB2 H 3.08 . 2 590 56 PHE HB3 H 2.77 . 2 591 56 PHE C C 175.7 . 1 592 57 THR N N 107.3 . 1 593 57 THR H H 8.41 . 1 594 57 THR CA C 62.1 . 1 595 57 THR HA H 4.92 . 1 596 57 THR CB C 70.3 . 1 597 57 THR HB H 4.29 . 1 598 57 THR HG2 H 1.34 . 1 599 57 THR CG2 C 21.5 . 1 600 57 THR C C 173.2 . 1 601 58 HIS N N 119.6 . 1 602 58 HIS H H 8.23 . 1 603 58 HIS CA C 55.8 . 1 604 58 HIS HA H 5.39 . 1 605 58 HIS CB C 35.8 . 1 606 58 HIS HB2 H 2.44 . 2 607 58 HIS HB3 H 2.68 . 2 608 58 HIS C C 173.7 . 1 609 59 ALA N N 119.8 . 1 610 59 ALA H H 7.89 . 1 611 59 ALA CA C 49.9 . 1 612 59 ALA HA H 5.28 . 1 613 59 ALA HB H 0.81 . 1 614 59 ALA CB C 22.8 . 1 615 59 ALA C C 175.7 . 1 616 60 PHE N N 118.3 . 1 617 60 PHE H H 9.35 . 1 618 60 PHE CA C 55.9 . 1 619 60 PHE HA H 5.35 . 1 620 60 PHE CB C 42.1 . 1 621 60 PHE HB2 H 3.24 . 2 622 60 PHE HB3 H 3.44 . 2 623 60 PHE C C 173.8 . 1 624 61 SER N N 114.1 . 1 625 61 SER H H 9.08 . 1 626 61 SER CA C 56.8 . 1 627 61 SER HA H 5.62 . 1 628 61 SER CB C 66.0 . 1 629 61 SER HB2 H 3.58 . 2 630 61 SER HB3 H 3.52 . 2 631 61 SER C C 173.8 . 1 632 62 MET N N 123.5 . 1 633 62 MET H H 8.96 . 1 634 62 MET CA C 54.7 . 1 635 62 MET HA H 5.37 . 1 636 62 MET CB C 38.3 . 1 637 62 MET HB2 H 1.79 . 2 638 62 MET HB3 H 1.95 . 2 639 62 MET CG C 35.2 . 1 640 62 MET HG2 H 2.51 . 2 641 62 MET HG3 H 2.74 . 2 642 62 MET C C 174.3 . 1 643 63 THR N N 115.2 . 1 644 63 THR H H 8.04 . 1 645 63 THR CA C 61.5 . 1 646 63 THR HA H 5.00 . 1 647 63 THR CB C 70.5 . 1 648 63 THR HB H 3.82 . 1 649 63 THR HG2 H 1.03 . 1 650 63 THR CG2 C 21.8 . 1 651 63 THR C C 171.6 . 1 652 64 PHE N N 122.2 . 1 653 64 PHE H H 9.30 . 1 654 64 PHE CA C 56.0 . 1 655 64 PHE HA H 4.77 . 1 656 64 PHE CB C 43.6 . 1 657 64 PHE HB2 H 3.54 . 2 658 64 PHE HB3 H 2.80 . 2 659 64 PHE C C 175.5 . 1 660 65 GLU N N 123.1 . 1 661 65 GLU H H 10.47 . 1 662 65 GLU CA C 59.3 . 1 663 65 GLU HA H 4.14 . 1 664 65 GLU CB C 30.8 . 1 665 65 GLU HB2 H 1.99 . 1 666 65 GLU HB3 H 1.99 . 1 667 65 GLU CG C 37.0 . 1 668 65 GLU HG2 H 2.29 . 2 669 65 GLU HG3 H 2.34 . 2 670 65 GLU C C 176.1 . 1 671 66 ASN N N 107.1 . 1 672 66 ASN H H 7.56 . 1 673 66 ASN CA C 51.3 . 1 674 66 ASN HA H 4.49 . 1 675 66 ASN CB C 39.3 . 1 676 66 ASN HB2 H 3.40 . 2 677 66 ASN HB3 H 3.17 . 2 678 66 ASN C C 174.4 . 1 679 67 LYS N N 121.2 . 1 680 67 LYS H H 8.84 . 1 681 67 LYS CA C 59.4 . 1 682 67 LYS HA H 2.70 . 1 683 67 LYS CB C 32.0 . 1 684 67 LYS HB2 H 1.51 . 2 685 67 LYS HB3 H 1.18 . 2 686 67 LYS CG C 25.2 . 1 687 67 LYS HG2 H 1.09 . 2 688 67 LYS HG3 H 0.54 . 2 689 67 LYS CD C 29.5 . 1 690 67 LYS HD2 H 1.45 . 1 691 67 LYS HD3 H 1.45 . 1 692 67 LYS CE C 42.1 . 1 693 67 LYS HE2 H 2.80 . 2 694 67 LYS HE3 H 2.76 . 2 695 67 LYS C C 177.3 . 1 696 68 ASP N N 118.0 . 1 697 68 ASP H H 8.04 . 1 698 68 ASP CA C 57.6 . 1 699 68 ASP HA H 4.16 . 1 700 68 ASP CB C 39.5 . 1 701 68 ASP HB2 H 2.50 . 1 702 68 ASP HB3 H 2.50 . 1 703 68 ASP C C 179.5 . 1 704 69 GLY N N 108.8 . 1 705 69 GLY H H 8.14 . 1 706 69 GLY CA C 47.1 . 1 707 69 GLY HA2 H 4.20 . 2 708 69 GLY HA3 H 3.96 . 2 709 69 GLY C C 175.3 . 1 710 70 TYR N N 124.1 . 1 711 70 TYR H H 6.90 . 1 712 70 TYR CA C 59.2 . 1 713 70 TYR HA H 4.14 . 1 714 70 TYR CB C 37.7 . 1 715 70 TYR HB2 H 1.99 . 2 716 70 TYR HB3 H 2.49 . 2 717 70 TYR C C 176.7 . 1 718 71 VAL N N 121.9 . 1 719 71 VAL H H 8.32 . 1 720 71 VAL CA C 66.1 . 1 721 71 VAL HA H 3.09 . 1 722 71 VAL CB C 31.3 . 1 723 71 VAL HB H 1.91 . 1 724 71 VAL HG1 H 0.83 . 2 725 71 VAL HG2 H 0.72 . 2 726 71 VAL CG1 C 22.6 . 1 727 71 VAL CG2 C 20.8 . 1 728 71 VAL C C 179.3 . 1 729 72 ALA N N 122.7 . 1 730 72 ALA H H 7.79 . 1 731 72 ALA CA C 55.0 . 1 732 72 ALA HA H 3.99 . 1 733 72 ALA HB H 1.53 . 1 734 72 ALA CB C 18.2 . 1 735 72 ALA C C 179.8 . 1 736 73 PHE N N 119.9 . 1 737 73 PHE H H 7.41 . 1 738 73 PHE CA C 60.7 . 1 739 73 PHE HA H 4.27 . 1 740 73 PHE CB C 39.4 . 1 741 73 PHE HB2 H 3.15 . 2 742 73 PHE HB3 H 3.18 . 2 743 73 PHE C C 175.8 . 1 744 74 THR N N 109.9 . 1 745 74 THR H H 8.00 . 1 746 74 THR CA C 64.2 . 1 747 74 THR HA H 2.73 . 1 748 74 THR CB C 68.7 . 1 749 74 THR HB H 3.76 . 1 750 74 THR HG2 H 0.52 . 1 751 74 THR CG2 C 22.1 . 1 752 74 THR C C 176.5 . 1 753 75 SER N N 113.7 . 1 754 75 SER H H 7.39 . 1 755 75 SER CA C 58.0 . 1 756 75 SER HA H 4.32 . 1 757 75 SER CB C 63.9 . 1 758 75 SER HB2 H 3.85 . 2 759 75 SER HB3 H 3.80 . 2 760 75 SER C C 173.3 . 1 761 76 HIS N N 127.6 . 1 762 76 HIS H H 7.54 . 1 763 76 HIS CA C 56.7 . 1 764 76 HIS HA H 4.39 . 1 765 76 HIS CB C 32.3 . 1 766 76 HIS HB2 H 2.96 . 2 767 76 HIS HB3 H 3.40 . 2 768 77 PRO CD C 50.6 . 1 769 77 PRO CA C 65.8 . 1 770 77 PRO HA H 4.20 . 1 771 77 PRO CB C 32.3 . 1 772 77 PRO HB2 H 2.35 . 1 773 77 PRO HB3 H 2.35 . 1 774 77 PRO CG C 27.6 . 1 775 77 PRO HG2 H 1.90 . 1 776 77 PRO HG3 H 1.90 . 1 777 77 PRO HD2 H 3.60 . 2 778 77 PRO HD3 H 2.52 . 2 779 77 PRO C C 179.8 . 1 780 78 LEU N N 120.2 . 1 781 78 LEU H H 11.23 . 1 782 78 LEU CA C 57.8 . 1 783 78 LEU HA H 4.29 . 1 784 78 LEU CB C 42.2 . 1 785 78 LEU HB2 H 1.81 . 2 786 78 LEU HB3 H 1.44 . 2 787 78 LEU CG C 27.0 . 1 788 78 LEU HG H 1.91 . 1 789 78 LEU HD1 H 0.90 . 2 790 78 LEU HD2 H 0.85 . 2 791 78 LEU CD1 C 22.9 . 1 792 78 LEU CD2 C 25.3 . 1 793 78 LEU C C 181.2 . 1 794 79 HIS N N 120.0 . 1 795 79 HIS H H 7.92 . 1 796 79 HIS CA C 60.6 . 1 797 79 HIS HA H 4.04 . 1 798 79 HIS CB C 29.2 . 1 799 79 HIS HB2 H 3.19 . 2 800 79 HIS HB3 H 2.45 . 2 801 79 HIS C C 177.6 . 1 802 80 VAL N N 122.5 . 1 803 80 VAL H H 8.16 . 1 804 80 VAL CA C 66.9 . 1 805 80 VAL HA H 3.44 . 1 806 80 VAL CB C 31.8 . 1 807 80 VAL HB H 2.10 . 1 808 80 VAL HG1 H 0.99 . 2 809 80 VAL HG2 H 0.92 . 2 810 80 VAL CG1 C 22.1 . 1 811 80 VAL CG2 C 20.9 . 1 812 80 VAL C C 179.1 . 1 813 81 GLU N N 118.7 . 1 814 81 GLU H H 7.71 . 1 815 81 GLU CA C 59.4 . 1 816 81 GLU HA H 4.07 . 1 817 81 GLU CB C 30.1 . 1 818 81 GLU HB2 H 2.06 . 1 819 81 GLU HB3 H 2.06 . 1 820 81 GLU CG C 36.2 . 1 821 81 GLU HG2 H 2.32 . 1 822 81 GLU HG3 H 2.32 . 1 823 81 GLU C C 178.9 . 1 824 82 PHE N N 120.8 . 1 825 82 PHE H H 7.94 . 1 826 82 PHE CA C 61.5 . 1 827 82 PHE HA H 4.20 . 1 828 82 PHE CB C 39.8 . 1 829 82 PHE HB2 H 2.78 . 2 830 82 PHE HB3 H 3.31 . 2 831 82 PHE C C 177.0 . 1 832 83 SER N N 113.7 . 1 833 83 SER H H 8.76 . 1 834 83 SER CA C 62.0 . 1 835 83 SER HA H 3.86 . 1 836 83 SER CB C 62.6 . 1 837 83 SER HB2 H 3.70 . 1 838 83 SER HB3 H 3.70 . 1 839 83 SER C C 176.4 . 1 840 84 ALA N N 123.2 . 1 841 84 ALA H H 7.27 . 1 842 84 ALA CA C 55.1 . 1 843 84 ALA HA H 4.12 . 1 844 84 ALA HB H 1.46 . 1 845 84 ALA CB C 18.1 . 1 846 84 ALA C C 179.6 . 1 847 85 ALA N N 121.1 . 1 848 85 ALA H H 7.07 . 1 849 85 ALA CA C 54.3 . 1 850 85 ALA HA H 4.08 . 1 851 85 ALA HB H 1.29 . 1 852 85 ALA CB C 18.0 . 1 853 85 ALA C C 179.7 . 1 854 86 PHE N N 118.8 . 1 855 86 PHE H H 8.30 . 1 856 86 PHE CA C 59.5 . 1 857 86 PHE HA H 4.06 . 1 858 86 PHE CB C 40.2 . 1 859 86 PHE HB2 H 2.36 . 2 860 86 PHE HB3 H 2.76 . 2 861 86 PHE C C 176.9 . 1 862 87 THR N N 110.8 . 1 863 87 THR H H 8.23 . 1 864 87 THR CA C 69.1 . 1 865 87 THR HA H 4.19 . 1 866 87 THR CB C 66.0 . 1 867 87 THR HB H 3.67 . 1 868 87 THR HG2 H 1.28 . 1 869 87 THR CG2 C 21.6 . 1 870 87 THR C C 175.7 . 1 871 88 ALA N N 119.4 . 1 872 88 ALA H H 7.02 . 1 873 88 ALA CA C 54.2 . 1 874 88 ALA HA H 4.23 . 1 875 88 ALA HB H 1.49 . 1 876 88 ALA CB C 19.1 . 1 877 88 ALA C C 179.0 . 1 878 89 VAL N N 106.8 . 1 879 89 VAL H H 7.33 . 1 880 89 VAL CA C 60.9 . 1 881 89 VAL HA H 4.58 . 1 882 89 VAL CB C 31.3 . 1 883 89 VAL HB H 2.95 . 1 884 89 VAL HG1 H 0.90 . 2 885 89 VAL HG2 H 1.03 . 2 886 89 VAL CG1 C 21.4 . 1 887 89 VAL CG2 C 18.9 . 1 888 89 VAL C C 175.7 . 1 889 90 ILE N N 119.8 . 1 890 90 ILE H H 7.02 . 1 891 90 ILE CA C 61.8 . 1 892 90 ILE HA H 3.99 . 1 893 90 ILE CB C 40.0 . 1 894 90 ILE HB H 1.62 . 1 895 90 ILE HG2 H 0.41 . 1 896 90 ILE CG2 C 18.7 . 1 897 90 ILE CG1 C 26.4 . 1 898 90 ILE HG12 H 0.78 . 2 899 90 ILE HG13 H 1.34 . 2 900 90 ILE HD1 H 0.32 . 1 901 90 ILE CD1 C 14.0 . 1 902 90 ILE C C 175.0 . 1 903 91 ASP N N 125.3 . 1 904 91 ASP H H 8.98 . 1 905 91 ASP CA C 55.1 . 1 906 91 ASP HA H 4.80 . 1 907 91 ASP CB C 43.7 . 1 908 91 ASP HB2 H 2.07 . 2 909 91 ASP HB3 H 2.29 . 2 910 91 ASP C C 175.7 . 1 911 92 LYS N N 112.9 . 1 912 92 LYS H H 7.67 . 1 913 92 LYS CA C 55.3 . 1 914 92 LYS HA H 4.68 . 1 915 92 LYS CB C 36.6 . 1 916 92 LYS HB2 H 1.90 . 2 917 92 LYS HB3 H 1.46 . 2 918 92 LYS CG C 24.0 . 1 919 92 LYS HG2 H 1.21 . 2 920 92 LYS HG3 H 1.04 . 2 921 92 LYS CE C 41.4 . 1 922 92 LYS HE2 H 2.43 . 1 923 92 LYS HE3 H 2.43 . 1 924 92 LYS C C 173.8 . 1 925 93 ILE N N 118.9 . 1 926 93 ILE H H 8.66 . 1 927 93 ILE CA C 59.8 . 1 928 93 ILE HA H 5.59 . 1 929 93 ILE CB C 42.5 . 1 930 93 ILE HB H 1.79 . 1 931 93 ILE CG1 C 28.9 . 1 932 93 ILE HG12 H 1.65 . 2 933 93 ILE HG13 H 0.97 . 2 934 93 ILE HD1 H 0.96 . 1 935 93 ILE CD1 C 15.3 . 1 936 93 ILE C C 172.6 . 1 937 94 VAL N N 128.3 . 1 938 94 VAL H H 9.09 . 1 939 94 VAL CA C 62.3 . 1 940 94 VAL HA H 4.27 . 1 941 94 VAL CB C 35.7 . 1 942 94 VAL HB H 1.34 . 1 943 94 VAL HG1 H 0.69 . 2 944 94 VAL HG2 H 0.62 . 2 945 94 VAL CG1 C 22.6 . 1 946 94 VAL CG2 C 20.5 . 1 947 94 VAL C C 172.9 . 1 948 95 LEU N N 127.8 . 1 949 95 LEU H H 7.80 . 1 950 95 LEU CA C 53.7 . 1 951 95 LEU HA H 5.22 . 1 952 95 LEU CB C 45.5 . 1 953 95 LEU HB2 H 1.48 . 1 954 95 LEU HB3 H 1.48 . 1 955 95 LEU CG C 27.4 . 1 956 95 LEU HG H 1.58 . 1 957 95 LEU HD1 H 1.08 . 2 958 95 LEU HD2 H 1.04 . 2 959 95 LEU CD1 C 27.3 . 1 960 95 LEU CD2 C 27.0 . 1 961 95 LEU C C 175.0 . 1 962 96 LEU N N 122.8 . 1 963 96 LEU H H 8.72 . 1 964 96 LEU CA C 54.7 . 1 965 96 LEU HA H 4.84 . 1 966 96 LEU CB C 47.4 . 1 967 96 LEU HB2 H 1.43 . 2 968 96 LEU HB3 H 1.40 . 2 969 96 LEU CG C 27.9 . 1 970 96 LEU HG H 1.47 . 1 971 96 LEU HD1 H 0.76 . 2 972 96 LEU HD2 H 0.59 . 2 973 96 LEU CD1 C 25.2 . 1 974 96 LEU CD2 C 27.1 . 1 975 96 LEU C C 173.0 . 1 976 97 ASP N N 123.4 . 1 977 97 ASP H H 9.16 . 1 978 97 ASP CA C 52.0 . 1 979 97 ASP HA H 5.56 . 1 980 97 ASP CB C 42.8 . 1 981 97 ASP HB2 H 2.48 . 2 982 97 ASP HB3 H 2.38 . 2 983 97 ASP C C 175.1 . 1 984 98 PHE N N 118.2 . 1 985 98 PHE H H 7.86 . 1 986 98 PHE CA C 52.7 . 1 987 98 PHE HA H 4.99 . 1 988 98 PHE CB C 38.4 . 1 989 98 PHE HB2 H 2.70 . 2 990 98 PHE HB3 H 2.67 . 2 991 99 PRO CD C 51.0 . 1 992 99 PRO CA C 61.9 . 1 993 99 PRO HA H 4.82 . 1 994 99 PRO CB C 32.0 . 1 995 99 PRO HB2 H 2.01 . 2 996 99 PRO HB3 H 2.48 . 2 997 99 PRO CG C 27.6 . 1 998 99 PRO HG2 H 2.26 . 2 999 99 PRO HG3 H 2.31 . 2 1000 99 PRO HD2 H 3.97 . 2 1001 99 PRO HD3 H 3.96 . 2 1002 99 PRO C C 176.8 . 1 1003 100 VAL N N 123.1 . 1 1004 100 VAL H H 7.92 . 1 1005 100 VAL CA C 62.8 . 1 1006 100 VAL HA H 3.92 . 1 1007 100 VAL CB C 33.1 . 1 1008 100 VAL HB H 1.81 . 1 1009 100 VAL CG1 C 22.3 . 1 1010 100 VAL CG2 C 21.9 . 1 1011 100 VAL HG1 H 0.70 . 1 1012 100 VAL HG2 H 0.70 . 1 1013 100 VAL C C 174.8 . 1 1014 101 ALA N N 130.7 . 1 1015 101 ALA H H 8.56 . 1 1016 101 ALA CA C 51.4 . 1 1017 101 ALA HA H 4.51 . 1 1018 101 ALA HB H 0.76 . 1 1019 101 ALA CB C 18.6 . 1 1020 101 ALA C C 175.6 . 1 1021 102 ALA N N 125.3 . 1 1022 102 ALA H H 8.29 . 1 1023 102 ALA CA C 51.5 . 1 1024 102 ALA HA H 4.62 . 1 1025 102 ALA HB H 1.29 . 1 1026 102 ALA CB C 20.0 . 1 1027 102 ALA C C 176.9 . 1 1028 103 VAL N N 121.8 . 1 1029 103 VAL H H 8.07 . 1 1030 103 VAL CA C 62.9 . 1 1031 103 VAL HA H 4.18 . 1 1032 103 VAL CB C 33.6 . 1 1033 103 VAL HB H 1.97 . 1 1034 103 VAL HG1 H 1.02 . 2 1035 103 VAL HG2 H 0.99 . 2 1036 103 VAL CG1 C 21.7 . 1 1037 103 VAL CG2 C 21.4 . 1 1038 103 VAL C C 175.6 . 1 1039 104 LYS N N 123.0 . 1 1040 104 LYS H H 8.40 . 1 1041 104 LYS CA C 55.8 . 1 1042 104 LYS HA H 4.61 . 1 1043 104 LYS CB C 35.6 . 1 1044 104 LYS HB2 H 1.72 . 1 1045 104 LYS HB3 H 1.72 . 1 1046 104 LYS CG C 25.3 . 1 1047 104 LYS HG2 H 1.37 . 2 1048 104 LYS HG3 H 1.30 . 2 1049 104 LYS CD C 29.8 . 1 1050 104 LYS HD2 H 1.72 . 1 1051 104 LYS HD3 H 1.72 . 1 1052 104 LYS CE C 42.3 . 1 1053 104 LYS HE2 H 2.98 . 1 1054 104 LYS HE3 H 2.98 . 1 1055 104 LYS C C 175.7 . 1 1056 105 SER N N 120.5 . 1 1057 105 SER H H 8.66 . 1 1058 105 SER CA C 57.8 . 1 1059 105 SER HA H 4.64 . 1 1060 105 SER CB C 64.4 . 1 1061 105 SER HB2 H 3.81 . 1 1062 105 SER HB3 H 3.81 . 1 1063 105 SER C C 173.8 . 1 1064 106 SER N N 118.2 . 1 1065 106 SER H H 8.44 . 1 1066 106 SER CA C 58.3 . 1 1067 106 SER HA H 4.53 . 1 1068 106 SER CB C 64.0 . 1 1069 106 SER HB2 H 3.83 . 1 1070 106 SER HB3 H 3.83 . 1 1071 106 SER C C 174.3 . 1 1072 107 VAL N N 122.1 . 1 1073 107 VAL H H 8.16 . 1 1074 107 VAL CA C 62.2 . 1 1075 107 VAL HA H 4.11 . 1 1076 107 VAL CB C 32.8 . 1 1077 107 VAL HB H 2.03 . 1 1078 107 VAL HG1 H 0.91 . 2 1079 107 VAL CG1 C 20.9 . 1 1080 107 VAL C C 176.0 . 1 1081 108 VAL N N 124.8 . 1 1082 108 VAL H H 8.22 . 1 1083 108 VAL CA C 62.1 . 1 1084 108 VAL HA H 4.11 . 1 1085 108 VAL CB C 32.9 . 1 1086 108 VAL HB H 2.03 . 1 1087 108 VAL HG1 H 0.91 . 2 1088 108 VAL HG2 H 0.87 . 2 1089 108 VAL CG1 C 20.9 . 1 1090 108 VAL CG2 C 17.1 . 1 1091 108 VAL C C 174.7 . 1 1092 109 ALA N N 128.8 . 1 1093 109 ALA H H 8.42 . 1 1094 109 ALA CA C 52.3 . 1 1095 109 ALA HA H 4.39 . 1 1096 109 ALA HB H 1.36 . 1 1097 109 ALA CB C 19.5 . 1 1098 109 ALA C C 177.3 . 1 1099 110 THR N N 116.4 . 1 1100 110 THR H H 8.17 . 1 1101 110 THR CA C 54.4 . 1 1102 110 THR HA H 4.09 . 1 1103 110 THR CB C 63.8 . 1 1104 110 THR HB H 4.07 . 1 1105 110 THR HG2 H 1.29 . 1 1106 110 THR CG2 C 18.0 . 1 stop_ save_