data_6443 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignments of At5g01610, an Arabidopsis thaliana protein containign DUF583 domain ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhao Qin . . 2 Cornilescu Claudia . . 3 Lee Min . . 4 Markley John . . stop_ _BMRB_accession_number 6443 _BMRB_flat_file_name bmr6443.str _Entry_type new _Submission_date 2004-12-23 _Accession_date 2004-12-23 _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' 634 '15N chemical shifts' 115 '13C chemical shifts' 461 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Solution NMR structure of At5g01610, an Arabdopsis protein containing DUF538 domain ; _Citation_status "in preparation" _Citation_type journal _PubMed_ID . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhao Qin . . 2 Cornilescu Claudia . . 3 Lee Min S. . 4 Markley John L. . stop_ _Journal_abbreviation ? _Journal_volume ? _Journal_issue ? _Page_first ? _Page_last ? _Year ? save_ ################################## # Molecular system description # ################################## save_assembly_At5g01610 _Saveframe_category molecular_system _Mol_system_name At5g01610 _Abbreviation_common At5g01610 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label At5g01610 $At5g01610 stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state "all free" save_ ######################## # Monomeric polymers # ######################## save_At5g01610 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common At5g01610 _Name_variant . _Abbreviation_common At5g01610 _Molecular_mass 18952.7 _Mol_thiol_state "all free" ############################## # Polymer residue sequence # ############################## _Residue_count 170 _Mol_residue_sequence ; SDQIFNKVGSYWLGQKANKQ FDSVGNDLNSVSTSIEGGTK WLVNKIKGKMQKPLPELLKE YDLPIGIFPGDATNYEFDEE TKKLTVLIPSICEVGYKDSS VLKFTTTVTGHLEKGKLTDV EGIKTKVMIWVKVTSISTDA SKVYFTAGMKKSRSRDAYGV QRNGLRVDKF ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ASP 3 GLN 4 ILE 5 PHE 6 ASN 7 LYS 8 VAL 9 GLY 10 SER 11 TYR 12 TRP 13 LEU 14 GLY 15 GLN 16 LYS 17 ALA 18 ASN 19 LYS 20 GLN 21 PHE 22 ASP 23 SER 24 VAL 25 GLY 26 ASN 27 ASP 28 LEU 29 ASN 30 SER 31 VAL 32 SER 33 THR 34 SER 35 ILE 36 GLU 37 GLY 38 GLY 39 THR 40 LYS 41 TRP 42 LEU 43 VAL 44 ASN 45 LYS 46 ILE 47 LYS 48 GLY 49 LYS 50 MET 51 GLN 52 LYS 53 PRO 54 LEU 55 PRO 56 GLU 57 LEU 58 LEU 59 LYS 60 GLU 61 TYR 62 ASP 63 LEU 64 PRO 65 ILE 66 GLY 67 ILE 68 PHE 69 PRO 70 GLY 71 ASP 72 ALA 73 THR 74 ASN 75 TYR 76 GLU 77 PHE 78 ASP 79 GLU 80 GLU 81 THR 82 LYS 83 LYS 84 LEU 85 THR 86 VAL 87 LEU 88 ILE 89 PRO 90 SER 91 ILE 92 CYS 93 GLU 94 VAL 95 GLY 96 TYR 97 LYS 98 ASP 99 SER 100 SER 101 VAL 102 LEU 103 LYS 104 PHE 105 THR 106 THR 107 THR 108 VAL 109 THR 110 GLY 111 HIS 112 LEU 113 GLU 114 LYS 115 GLY 116 LYS 117 LEU 118 THR 119 ASP 120 VAL 121 GLU 122 GLY 123 ILE 124 LYS 125 THR 126 LYS 127 VAL 128 MET 129 ILE 130 TRP 131 VAL 132 LYS 133 VAL 134 THR 135 SER 136 ILE 137 SER 138 THR 139 ASP 140 ALA 141 SER 142 LYS 143 VAL 144 TYR 145 PHE 146 THR 147 ALA 148 GLY 149 MET 150 LYS 151 LYS 152 SER 153 ARG 154 SER 155 ARG 156 ASP 157 ALA 158 TYR 159 GLY 160 VAL 161 GLN 162 ARG 163 ASN 164 GLY 165 LEU 166 ARG 167 VAL 168 ASP 169 LYS 170 PHE stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $At5g01610 "Arabidopsis thaliana" 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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 $At5g01610 "recombinant technology" "E. coli" ? ? ? ? stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $At5g01610 10 mg/mL "[U-95% 13C; U-90% 15N]" NaPi 20 mM . NaCl 25 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; HNCA HNCACB CBCACONH CCONH HCCONH HBHACONH HCCHTOCSY HCCHCOSY 15N NOESY 13C NOESY 15N T1 15N T2 15N htNOE HNCO ; save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.18 0.02 pH "ionic strength" 0.025 0.002 M temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 H2O H 1 'methyl protons' ppm 4.77 internal direct . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 external indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 external indirect . . . 0.101329118 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name At5g01610 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 53 PRO CA C 63.8 0.2 1 2 53 PRO HA H 4.72 0.05 1 3 53 PRO CB C 33.6 0.2 1 4 53 PRO HB2 H 2.64 0.05 2 5 53 PRO HB3 H 1.89 0.05 2 6 53 PRO CG C 28.5 0.2 1 7 53 PRO HG2 H 2.22 0.05 2 8 53 PRO HG3 H 2.20 0.05 2 9 54 LEU N N 126.1 0.2 1 10 54 LEU H H 9.42 0.05 1 11 54 LEU CA C 59.5 0.2 1 12 54 LEU HA H 3.65 0.05 1 13 54 LEU CB C 38.6 0.2 1 14 54 LEU HB2 H 1.88 0.05 2 15 54 LEU HB3 H 1.22 0.05 2 16 54 LEU CG C 27.2 0.2 1 17 54 LEU HG H 1.23 0.05 1 18 54 LEU HD1 H 0.46 0.05 2 19 54 LEU HD2 H 0.05 0.05 2 20 54 LEU CD1 C 26.5 0.2 1 21 54 LEU CD2 C 22.8 0.2 1 22 55 PRO CD C 50.3 0.2 1 23 55 PRO CA C 66.8 0.2 1 24 55 PRO HA H 4.15 0.05 1 25 55 PRO CB C 31.3 0.2 1 26 55 PRO HB2 H 2.21 0.05 2 27 55 PRO HB3 H 1.99 0.05 2 28 55 PRO CG C 29.0 0.2 1 29 55 PRO HG2 H 2.06 0.05 1 30 55 PRO HG3 H 2.06 0.05 1 31 55 PRO HD2 H 3.80 0.05 2 32 55 PRO HD3 H 3.75 0.05 2 33 56 GLU N N 114.2 0.2 1 34 56 GLU H H 6.96 0.05 1 35 56 GLU CA C 58.9 0.2 1 36 56 GLU HA H 4.06 0.05 1 37 56 GLU CB C 29.3 0.2 1 38 56 GLU HB2 H 2.16 0.05 2 39 56 GLU HB3 H 2.11 0.05 2 40 56 GLU CG C 36.4 0.2 1 41 56 GLU HG2 H 2.43 0.05 2 42 56 GLU C C 179.0 0.2 1 43 57 LEU N N 123.5 0.2 1 44 57 LEU H H 7.64 0.05 1 45 57 LEU CA C 58.5 0.2 1 46 57 LEU HA H 4.08 0.05 1 47 57 LEU CB C 42.2 0.2 1 48 57 LEU HB2 H 1.82 0.05 2 49 57 LEU HB3 H 1.13 0.05 2 50 57 LEU CG C 26.9 0.2 1 51 57 LEU HG H 1.12 0.05 1 52 57 LEU HD1 H 0.74 0.05 2 53 57 LEU HD2 H 0.15 0.05 2 54 57 LEU CD1 C 24.5 0.2 1 55 57 LEU CD2 C 26.4 0.2 1 56 58 LEU N N 116.6 0.2 1 57 58 LEU H H 8.13 0.05 1 58 58 LEU CA C 59.0 0.2 1 59 58 LEU HA H 3.75 0.05 1 60 58 LEU CB C 40.0 0.2 1 61 58 LEU HB2 H 1.80 0.05 2 62 58 LEU HB3 H 1.26 0.05 2 63 58 LEU CG C 27.2 0.2 1 64 58 LEU HG H 1.71 0.05 1 65 58 LEU HD1 H 0.63 0.05 2 66 58 LEU HD2 H 0.96 0.05 2 67 58 LEU CD1 C 21.9 0.2 1 68 58 LEU CD2 C 27.2 0.2 1 69 58 LEU C C 179.1 0.2 1 70 59 LYS N N 118.1 0.2 1 71 59 LYS H H 7.93 0.05 1 72 59 LYS CA C 60.5 0.2 1 73 59 LYS HA H 4.08 0.05 1 74 59 LYS CB C 32.9 0.2 1 75 59 LYS HB2 H 1.90 0.05 1 76 59 LYS HB3 H 1.90 0.05 1 77 59 LYS CG C 25.7 0.2 1 78 59 LYS HG2 H 1.70 0.05 2 79 59 LYS HG3 H 1.47 0.05 2 80 59 LYS CD C 29.9 0.2 1 81 59 LYS CE C 41.3 0.2 1 82 59 LYS HE2 H 2.95 0.05 1 83 59 LYS HE3 H 2.95 0.05 1 84 59 LYS C C 181.1 0.2 1 85 60 GLU N N 122.7 0.2 1 86 60 GLU H H 7.99 0.05 1 87 60 GLU CA C 59.4 0.2 1 88 60 GLU HA H 3.98 0.05 1 89 60 GLU CB C 29.0 0.2 1 90 60 GLU HB2 H 2.00 0.05 2 91 60 GLU HB3 H 2.27 0.05 2 92 60 GLU CG C 35.8 0.2 1 93 60 GLU HG2 H 2.38 0.05 2 94 60 GLU HG3 H 1.99 0.05 2 95 60 GLU C C 177.3 0.2 1 96 61 TYR N N 117.4 0.2 1 97 61 TYR H H 7.66 0.05 1 98 61 TYR CA C 59.7 0.2 1 99 61 TYR HA H 4.13 0.05 1 100 61 TYR CB C 37.7 0.2 1 101 61 TYR HB2 H 3.47 0.05 2 102 61 TYR HB3 H 2.50 0.05 2 103 61 TYR C C 172.9 0.2 1 104 62 ASP N N 118.6 0.2 1 105 62 ASP H H 8.02 0.05 1 106 62 ASP CA C 55.7 0.2 1 107 62 ASP HA H 4.34 0.05 1 108 62 ASP CB C 40.6 0.2 1 109 62 ASP HB2 H 3.05 0.05 2 110 62 ASP HB3 H 2.21 0.05 2 111 63 LEU N N 117.0 0.2 1 112 63 LEU H H 8.11 0.05 1 113 63 LEU CA C 51.7 0.2 1 114 63 LEU HA H 4.72 0.05 1 115 63 LEU CB C 43.8 0.2 1 116 63 LEU HB2 H 1.42 0.05 2 117 63 LEU HB3 H 1.01 0.05 2 118 63 LEU CG C 27.2 0.2 1 119 63 LEU HG H 1.65 0.05 1 120 63 LEU HD1 H 0.69 0.05 2 121 63 LEU HD2 H 0.65 0.05 2 122 63 LEU CD1 C 27.4 0.2 1 123 63 LEU C C 173.4 0.2 1 124 64 PRO CA C 61.4 0.2 1 125 64 PRO HA H 4.60 0.05 1 126 64 PRO CB C 32.0 0.2 1 127 64 PRO HB2 H 2.11 0.05 2 128 64 PRO CG C 28.0 0.2 1 129 64 PRO HG2 H 1.78 0.05 2 130 64 PRO HG3 H 1.57 0.05 2 131 64 PRO HD2 H 3.47 0.05 2 132 64 PRO HD3 H 3.22 0.05 2 133 64 PRO C C 178.1 0.2 1 134 65 ILE N N 114.4 0.2 1 135 65 ILE H H 8.34 0.05 1 136 65 ILE CA C 64.8 0.2 1 137 65 ILE HA H 4.03 0.05 1 138 65 ILE CB C 38.4 0.2 1 139 65 ILE HB H 1.95 0.05 1 140 65 ILE HG2 H 1.19 0.05 1 141 65 ILE CG2 C 19.2 0.2 1 142 65 ILE CG1 C 25.9 0.2 1 143 65 ILE HG12 H 1.29 0.05 2 144 65 ILE HG13 H 1.08 0.05 2 145 65 ILE HD1 H 0.94 0.05 1 146 65 ILE CD1 C 14.9 0.2 1 147 65 ILE C C 176.1 0.2 1 148 66 GLY N N 105.0 0.2 1 149 66 GLY H H 8.34 0.05 1 150 66 GLY CA C 46.4 0.2 1 151 66 GLY HA2 H 4.44 0.05 2 152 66 GLY HA3 H 3.78 0.05 2 153 66 GLY C C 175.2 0.2 1 154 67 ILE N N 113.0 0.2 1 155 67 ILE H H 7.17 0.05 1 156 67 ILE CA C 64.5 0.2 1 157 67 ILE HA H 4.17 0.05 1 158 67 ILE CB C 38.3 0.2 1 159 67 ILE HB H 1.91 0.05 1 160 67 ILE HG2 H 0.82 0.05 1 161 67 ILE CG2 C 18.0 0.2 1 162 67 ILE CG1 C 25.0 0.2 1 163 67 ILE HG12 H 1.52 0.05 2 164 67 ILE HG13 H 0.98 0.05 2 165 67 ILE HD1 H 0.60 0.05 1 166 67 ILE CD1 C 15.3 0.2 1 167 67 ILE C C 170.4 0.2 1 168 68 PHE N N 108.6 0.2 1 169 68 PHE H H 6.69 0.05 1 170 68 PHE CA C 55.0 0.2 1 171 68 PHE HA H 4.70 0.05 1 172 68 PHE CB C 41.6 0.2 1 173 68 PHE HB2 H 2.74 0.05 2 174 68 PHE HB3 H 2.62 0.05 2 175 69 PRO CD C 49.8 0.2 1 176 69 PRO CA C 62.7 0.2 1 177 69 PRO HA H 4.65 0.05 1 178 69 PRO CB C 32.3 0.2 1 179 69 PRO HB2 H 2.12 0.05 2 180 69 PRO HB3 H 2.07 0.05 2 181 69 PRO CG C 28.8 0.2 1 182 69 PRO HG2 H 1.53 0.05 2 183 69 PRO HG3 H 1.34 0.05 2 184 69 PRO HD2 H 2.91 0.05 2 185 69 PRO HD3 H 2.05 0.05 2 186 69 PRO C C 177.8 0.2 1 187 70 GLY N N 109.4 0.2 1 188 70 GLY H H 8.88 0.05 1 189 70 GLY CA C 46.7 0.2 1 190 70 GLY HA2 H 3.77 0.05 1 191 70 GLY HA3 H 3.77 0.05 1 192 70 GLY C C 173.3 0.2 1 193 71 ASP N N 114.0 0.2 1 194 71 ASP H H 9.13 0.05 1 195 71 ASP CA C 52.8 0.2 1 196 71 ASP HA H 4.49 0.05 1 197 71 ASP CB C 38.3 0.2 1 198 71 ASP HB2 H 2.79 0.05 2 199 71 ASP HB3 H 2.54 0.05 2 200 71 ASP C C 175.2 0.2 1 201 72 ALA N N 122.3 0.2 1 202 72 ALA H H 7.29 0.05 1 203 72 ALA CA C 52.6 0.2 1 204 72 ALA HA H 4.56 0.05 1 205 72 ALA HB H 1.21 0.05 1 206 72 ALA CB C 18.5 0.2 1 207 72 ALA C C 175.6 0.2 1 208 73 THR N N 114.5 0.2 1 209 73 THR H H 8.43 0.05 1 210 73 THR CA C 63.1 0.2 1 211 73 THR HA H 4.38 0.05 1 212 73 THR CB C 70.7 0.2 1 213 73 THR HB H 4.20 0.05 1 214 73 THR HG2 H 1.19 0.05 1 215 73 THR CG2 C 22.0 0.2 1 216 73 THR C C 174.9 0.2 1 217 74 ASN N N 121.3 0.2 1 218 74 ASN H H 8.61 0.05 1 219 74 ASN CA C 53.3 0.2 1 220 74 ASN HA H 4.99 0.05 1 221 74 ASN CB C 40.8 0.2 1 222 74 ASN HB2 H 2.84 0.05 2 223 74 ASN HB3 H 2.76 0.05 2 224 74 ASN ND2 N 113.3 0.2 1 225 74 ASN HD21 H 7.65 0.05 2 226 74 ASN HD22 H 7.47 0.05 2 227 74 ASN C C 172.3 0.2 1 228 75 TYR N N 117.6 0.2 1 229 75 TYR H H 8.18 0.05 1 230 75 TYR CA C 56.0 0.2 1 231 75 TYR HA H 5.41 0.05 1 232 75 TYR CB C 42.2 0.2 1 233 75 TYR HB2 H 3.10 0.05 2 234 75 TYR HB3 H 2.72 0.05 2 235 75 TYR C C 172.6 0.2 1 236 76 GLU N N 120.1 0.2 1 237 76 GLU H H 9.45 0.05 1 238 76 GLU CA C 55.6 0.2 1 239 76 GLU HA H 4.47 0.05 1 240 76 GLU CB C 33.7 0.2 1 241 76 GLU HB2 H 2.01 0.05 2 242 76 GLU HB3 H 1.87 0.05 2 243 76 GLU CG C 35.8 0.2 1 244 76 GLU HG2 H 2.18 0.05 1 245 76 GLU HG3 H 2.18 0.05 1 246 76 GLU C C 174.4 0.2 1 247 77 PHE N N 125.2 0.2 1 248 77 PHE H H 9.00 0.05 1 249 77 PHE CA C 55.9 0.2 1 250 77 PHE HA H 5.70 0.05 1 251 77 PHE CB C 42.3 0.2 1 252 77 PHE HB2 H 3.05 0.05 1 253 77 PHE HB3 H 3.05 0.05 1 254 77 PHE C C 173.1 0.2 1 255 78 ASP N N 129.1 0.2 1 256 78 ASP H H 7.93 0.05 1 257 78 ASP CA C 52.8 0.2 1 258 78 ASP HA H 4.63 0.05 1 259 78 ASP CB C 42.7 0.2 1 260 78 ASP HB2 H 2.95 0.05 2 261 78 ASP HB3 H 2.45 0.05 2 262 79 GLU N N 125.0 0.2 1 263 79 GLU H H 8.59 0.05 1 264 79 GLU CA C 59.2 0.2 1 265 79 GLU HA H 3.38 0.05 1 266 79 GLU CB C 29.7 0.2 1 267 79 GLU HB2 H 2.07 0.05 2 268 79 GLU HB3 H 1.92 0.05 2 269 79 GLU CG C 36.8 0.2 1 270 79 GLU HG2 H 2.30 0.05 1 271 79 GLU HG3 H 2.30 0.05 1 272 79 GLU C C 177.3 0.2 1 273 80 GLU N N 118.0 0.2 1 274 80 GLU H H 8.40 0.05 1 275 80 GLU CA C 59.1 0.2 1 276 80 GLU HA H 4.23 0.05 1 277 80 GLU CB C 29.9 0.2 1 278 80 GLU HB2 H 2.17 0.05 1 279 80 GLU HB3 H 2.17 0.05 1 280 80 GLU CG C 36.2 0.2 1 281 80 GLU HG2 H 2.31 0.05 1 282 80 GLU HG3 H 2.31 0.05 1 283 80 GLU C C 178.1 0.2 1 284 81 THR N N 108.0 0.2 1 285 81 THR H H 7.56 0.05 1 286 81 THR CA C 62.4 0.2 1 287 81 THR HA H 4.38 0.05 1 288 81 THR CB C 70.7 0.2 1 289 81 THR HB H 4.39 0.05 1 290 81 THR HG2 H 1.24 0.05 1 291 81 THR C C 178.3 0.2 1 292 82 LYS N N 116.6 0.2 1 293 82 LYS H H 8.12 0.05 1 294 82 LYS CA C 57.6 0.2 1 295 82 LYS HA H 3.76 0.05 1 296 82 LYS CB C 28.3 0.2 1 297 82 LYS HB2 H 2.50 0.05 2 298 82 LYS HB3 H 1.83 0.05 2 299 82 LYS CG C 25.6 0.2 1 300 82 LYS HG2 H 1.43 0.05 2 301 82 LYS HG3 H 1.32 0.05 2 302 82 LYS HD2 H 1.72 0.05 2 303 82 LYS HD3 H 1.70 0.05 2 304 82 LYS CE C 43.3 0.2 1 305 82 LYS HE2 H 3.21 0.05 2 306 82 LYS HE3 H 3.15 0.05 2 307 83 LYS N N 119.3 0.2 1 308 83 LYS H H 7.43 0.05 1 309 83 LYS CA C 57.6 0.2 1 310 83 LYS HA H 4.64 0.05 1 311 83 LYS CB C 34.0 0.2 1 312 83 LYS HB2 H 1.86 0.05 2 313 83 LYS HB3 H 1.68 0.05 2 314 83 LYS CG C 25.6 0.2 1 315 83 LYS HG2 H 1.35 0.05 2 316 83 LYS HG3 H 1.32 0.05 2 317 83 LYS CD C 29.8 0.2 1 318 83 LYS HE2 H 2.94 0.05 1 319 83 LYS HE3 H 2.94 0.05 1 320 83 LYS C C 175.1 0.2 1 321 84 LEU N N 133.6 0.2 1 322 84 LEU H H 9.43 0.05 1 323 84 LEU CA C 54.1 0.2 1 324 84 LEU HA H 5.38 0.05 1 325 84 LEU CB C 46.0 0.2 1 326 84 LEU HB2 H 1.80 0.05 2 327 84 LEU HB3 H 1.20 0.05 2 328 84 LEU HG H 1.34 0.05 1 329 84 LEU HD1 H 0.69 0.05 2 330 84 LEU HD2 H 0.56 0.05 2 331 84 LEU CD1 C 23.9 0.2 1 332 84 LEU CD2 C 26.0 0.2 1 333 84 LEU C C 174.4 0.2 1 334 85 THR N N 123.4 0.2 1 335 85 THR H H 9.15 0.05 1 336 85 THR CA C 62.1 0.2 1 337 85 THR HA H 5.22 0.05 1 338 85 THR CB C 71.3 0.2 1 339 85 THR HB H 4.00 0.05 1 340 85 THR HG2 H 1.10 0.05 1 341 85 THR CG2 C 21.3 0.2 1 342 85 THR C C 173.6 0.2 1 343 86 VAL N N 128.0 0.2 1 344 86 VAL H H 9.85 0.05 1 345 86 VAL CA C 62.5 0.2 1 346 86 VAL HA H 4.26 0.05 1 347 86 VAL CB C 35.0 0.2 1 348 86 VAL HB H 1.53 0.05 1 349 86 VAL HG1 H 0.41 0.05 2 350 86 VAL HG2 H 0.11 0.05 2 351 86 VAL CG1 C 21.9 0.2 1 352 86 VAL CG2 C 20.9 0.2 1 353 86 VAL C C 173.6 0.2 1 354 87 LEU N N 127.5 0.2 1 355 87 LEU H H 8.20 0.05 1 356 87 LEU CA C 54.3 0.2 1 357 87 LEU HA H 5.06 0.05 1 358 87 LEU CB C 41.5 0.2 1 359 87 LEU HB2 H 1.73 0.05 2 360 87 LEU HB3 H 1.48 0.05 2 361 87 LEU CG C 27.9 0.2 1 362 87 LEU HG H 1.62 0.05 1 363 87 LEU HD1 H 0.83 0.05 2 364 87 LEU HD2 H 0.87 0.05 2 365 87 LEU CD1 C 25.2 0.2 1 366 87 LEU CD2 C 23.9 0.2 1 367 87 LEU C C 175.4 0.2 1 368 88 ILE N N 127.4 0.2 1 369 88 ILE H H 8.62 0.05 1 370 88 ILE CA C 57.9 0.2 1 371 88 ILE HA H 4.49 0.05 1 372 88 ILE CB C 40.8 0.2 1 373 88 ILE HB H 2.09 0.05 1 374 88 ILE HG2 H 0.87 0.05 1 375 88 ILE CG2 C 18.8 0.2 1 376 88 ILE CG1 C 29.5 0.2 1 377 88 ILE HG12 H 1.61 0.05 2 378 88 ILE HG13 H 0.91 0.05 2 379 88 ILE HD1 H 0.82 0.05 1 380 88 ILE CD1 C 14.2 0.2 1 381 89 PRO CD C 51.8 0.2 1 382 89 PRO CA C 66.5 0.2 1 383 89 PRO HA H 4.17 0.05 1 384 89 PRO CB C 32.8 0.2 1 385 89 PRO HB2 H 2.34 0.05 2 386 89 PRO HB3 H 1.97 0.05 2 387 89 PRO CG C 28.2 0.2 1 388 89 PRO HG2 H 2.10 0.05 2 389 89 PRO HG3 H 2.03 0.05 2 390 89 PRO HD2 H 3.78 0.05 2 391 89 PRO HD3 H 3.55 0.05 2 392 89 PRO C C 176.5 0.2 1 393 90 SER N N 109.5 0.2 1 394 90 SER H H 7.23 0.05 1 395 90 SER CA C 57.1 0.2 1 396 90 SER HA H 4.49 0.05 1 397 90 SER CB C 66.8 0.2 1 398 90 SER HB2 H 3.67 0.05 1 399 90 SER HB3 H 3.67 0.05 1 400 90 SER C C 172.0 0.2 1 401 91 ILE N N 122.9 0.2 1 402 91 ILE H H 8.12 0.05 1 403 91 ILE CA C 63.0 0.2 1 404 91 ILE HA H 4.55 0.05 1 405 91 ILE CB C 37.7 0.2 1 406 91 ILE HB H 1.81 0.05 1 407 91 ILE HG2 H 0.83 0.05 1 408 91 ILE CG2 C 18.0 0.2 1 409 91 ILE CG1 C 29.2 0.2 1 410 91 ILE HG12 H 1.85 0.05 2 411 91 ILE HG13 H 1.15 0.05 2 412 91 ILE HD1 H 0.97 0.05 1 413 91 ILE CD1 C 14.7 0.2 1 414 91 ILE C C 178.1 0.2 1 415 92 CYS N N 120.9 0.2 1 416 92 CYS H H 8.87 0.05 1 417 92 CYS CA C 56.3 0.2 1 418 92 CYS HA H 5.76 0.05 1 419 92 CYS CB C 31.8 0.2 1 420 92 CYS HB2 H 3.04 0.05 2 421 92 CYS HB3 H 2.25 0.05 2 422 92 CYS C C 171.8 0.2 1 423 93 GLU N N 118.2 0.2 1 424 93 GLU H H 9.12 0.05 1 425 93 GLU CA C 54.6 0.2 1 426 93 GLU HA H 5.75 0.05 1 427 93 GLU CB C 34.6 0.2 1 428 93 GLU HB2 H 2.02 0.05 1 429 93 GLU HB3 H 2.02 0.05 1 430 93 GLU CG C 36.6 0.2 1 431 93 GLU HG2 H 2.27 0.05 2 432 93 GLU HG3 H 2.22 0.05 2 433 93 GLU C C 176.3 0.2 1 434 94 VAL N N 123.2 0.2 1 435 94 VAL H H 9.47 0.05 1 436 94 VAL CA C 63.0 0.2 1 437 94 VAL HA H 4.21 0.05 1 438 94 VAL CB C 35.4 0.2 1 439 94 VAL HB H 2.19 0.05 1 440 94 VAL HG1 H 0.90 0.05 2 441 94 VAL HG2 H 0.41 0.05 2 442 94 VAL CG1 C 22.8 0.2 1 443 94 VAL CG2 C 22.7 0.2 1 444 94 VAL C C 173.2 0.2 1 445 95 GLY N N 112.2 0.2 1 446 95 GLY H H 7.74 0.05 1 447 95 GLY CA C 44.0 0.2 1 448 95 GLY HA2 H 4.99 0.05 2 449 95 GLY HA3 H 3.54 0.05 2 450 95 GLY C C 173.2 0.2 1 451 96 TYR N N 120.0 0.2 1 452 96 TYR H H 8.15 0.05 1 453 96 TYR CA C 58.3 0.2 1 454 96 TYR HA H 4.52 0.05 1 455 96 TYR CB C 41.0 0.2 1 456 96 TYR HB2 H 2.61 0.05 2 457 96 TYR HB3 H 2.47 0.05 2 458 96 TYR C C 179.3 0.2 1 459 97 LYS N N 120.0 0.2 1 460 97 LYS H H 9.13 0.05 1 461 97 LYS CA C 59.2 0.2 1 462 97 LYS HA H 4.22 0.05 1 463 97 LYS CB C 32.4 0.2 1 464 97 LYS HB2 H 1.97 0.05 1 465 97 LYS HB3 H 1.97 0.05 1 466 97 LYS CG C 24.7 0.2 1 467 97 LYS HG2 H 1.55 0.05 1 468 97 LYS HG3 H 1.55 0.05 1 469 97 LYS CD C 29.7 0.2 1 470 97 LYS HD2 H 1.75 0.05 1 471 97 LYS HD3 H 1.75 0.05 1 472 97 LYS HE2 H 2.95 0.05 1 473 97 LYS HE3 H 2.95 0.05 1 474 97 LYS C C 175.8 0.2 1 475 98 ASP N N 119.1 0.2 1 476 98 ASP H H 7.84 0.05 1 477 98 ASP CA C 53.6 0.2 1 478 98 ASP HA H 4.72 0.05 1 479 98 ASP CB C 40.2 0.2 1 480 98 ASP HB2 H 3.18 0.05 2 481 98 ASP HB3 H 2.58 0.05 2 482 98 ASP C C 176.7 0.2 1 483 99 SER N N 111.5 0.2 1 484 99 SER H H 8.28 0.05 1 485 99 SER CA C 61.8 0.2 1 486 99 SER HA H 4.24 0.05 1 487 99 SER CB C 62.1 0.2 1 488 99 SER C C 173.1 0.2 1 489 100 SER N N 117.9 0.2 1 490 100 SER H H 8.10 0.05 1 491 100 SER CA C 58.7 0.2 1 492 100 SER HA H 4.53 0.05 1 493 100 SER CB C 65.0 0.2 1 494 100 SER HB2 H 3.84 0.05 1 495 100 SER HB3 H 3.84 0.05 1 496 100 SER C C 173.0 0.2 1 497 101 VAL N N 116.9 0.2 1 498 101 VAL H H 8.45 0.05 1 499 101 VAL CA C 60.9 0.2 1 500 101 VAL HA H 5.65 0.05 1 501 101 VAL CB C 36.9 0.2 1 502 101 VAL HB H 2.05 0.05 1 503 101 VAL HG1 H 1.02 0.05 2 504 101 VAL HG2 H 1.07 0.05 2 505 101 VAL CG1 C 22.1 0.2 1 506 101 VAL C C 175.3 0.2 1 507 102 LEU N N 127.2 0.2 1 508 102 LEU H H 9.17 0.05 1 509 102 LEU CA C 54.2 0.2 1 510 102 LEU HA H 5.43 0.05 1 511 102 LEU CB C 46.7 0.2 1 512 102 LEU HB2 H 2.22 0.05 2 513 102 LEU HB3 H 1.02 0.05 2 514 102 LEU CG C 25.7 0.2 1 515 102 LEU HG H 1.91 0.05 1 516 102 LEU HD1 H 0.69 0.05 2 517 102 LEU HD2 H 1.27 0.05 2 518 102 LEU CD1 C 23.5 0.2 1 519 102 LEU C C 174.1 0.2 1 520 103 LYS N N 121.6 0.2 1 521 103 LYS H H 8.93 0.05 1 522 103 LYS CA C 54.6 0.2 1 523 103 LYS HA H 5.46 0.05 1 524 103 LYS CB C 37.0 0.2 1 525 103 LYS HB2 H 1.17 0.05 2 526 103 LYS HB3 H 1.00 0.05 2 527 103 LYS CG C 25.5 0.2 1 528 103 LYS HG2 H 1.42 0.05 2 529 103 LYS HG3 H 1.26 0.05 2 530 103 LYS CD C 30.1 0.2 1 531 103 LYS HD2 H 1.16 0.05 2 532 103 LYS HD3 H 1.77 0.05 2 533 103 LYS C C 173.0 0.2 1 534 104 PHE N N 124.4 0.2 1 535 104 PHE H H 9.34 0.05 1 536 104 PHE CA C 57.2 0.2 1 537 104 PHE HA H 5.59 0.05 1 538 104 PHE CB C 43.9 0.2 1 539 104 PHE HB2 H 3.42 0.05 2 540 104 PHE HB3 H 3.04 0.05 2 541 104 PHE C C 175.8 0.2 1 542 105 THR N N 114.2 0.2 1 543 105 THR H H 7.09 0.05 1 544 105 THR CA C 58.1 0.2 1 545 105 THR HA H 4.62 0.05 1 546 105 THR CB C 68.7 0.2 1 547 105 THR HB H 2.47 0.05 1 548 105 THR HG2 H 0.94 0.05 1 549 105 THR CG2 C 22.0 0.2 1 550 105 THR C C 172.0 0.2 1 551 106 THR N N 104.2 0.2 1 552 106 THR H H 7.75 0.05 1 553 106 THR CA C 63.9 0.2 1 554 106 THR HA H 4.55 0.05 1 555 106 THR CB C 69.5 0.2 1 556 106 THR HB H 4.20 0.05 1 557 106 THR HG2 H 1.11 0.05 1 558 106 THR C C 176.3 0.2 1 559 107 THR N N 117.4 0.2 1 560 107 THR H H 7.12 0.05 1 561 107 THR CA C 63.0 0.2 1 562 107 THR HA H 5.07 0.05 1 563 107 THR CB C 72.0 0.2 1 564 107 THR HB H 3.83 0.05 1 565 107 THR HG2 H 1.10 0.05 1 566 107 THR CG2 C 22.1 0.2 1 567 107 THR C C 172.9 0.2 1 568 108 VAL N N 128.3 0.2 1 569 108 VAL H H 9.15 0.05 1 570 108 VAL CA C 60.5 0.2 1 571 108 VAL HA H 5.28 0.05 1 572 108 VAL CB C 35.7 0.2 1 573 108 VAL HB H 1.98 0.05 1 574 108 VAL HG1 H 1.25 0.05 2 575 108 VAL HG2 H 1.31 0.05 2 576 108 VAL CG1 C 21.4 0.2 1 577 108 VAL CG2 C 22.9 0.2 1 578 108 VAL C C 175.4 0.2 1 579 109 THR N N 116.2 0.2 1 580 109 THR H H 8.82 0.05 1 581 109 THR CA C 58.9 0.2 1 582 109 THR HA H 6.08 0.05 1 583 109 THR CB C 73.3 0.2 1 584 109 THR HB H 4.26 0.05 1 585 109 THR HG2 H 1.32 0.05 1 586 109 THR CG2 C 22.0 0.2 1 587 109 THR C C 173.7 0.2 1 588 110 GLY N N 103.3 0.2 1 589 110 GLY H H 8.37 0.05 1 590 110 GLY CA C 46.2 0.2 1 591 110 GLY HA2 H 4.42 0.05 2 592 110 GLY HA3 H 3.78 0.05 2 593 110 GLY C C 170.7 0.2 1 594 111 HIS N N 120.5 0.2 1 595 111 HIS H H 9.46 0.05 1 596 111 HIS CA C 55.7 0.2 1 597 111 HIS HA H 5.34 0.05 1 598 111 HIS CB C 29.4 0.2 1 599 111 HIS HB2 H 3.44 0.05 2 600 111 HIS HB3 H 3.12 0.05 2 601 111 HIS C C 173.5 0.2 1 602 112 LEU N N 131.0 0.2 1 603 112 LEU H H 8.89 0.05 1 604 112 LEU CA C 55.4 0.2 1 605 112 LEU HA H 4.89 0.05 1 606 112 LEU CB C 45.1 0.2 1 607 112 LEU HB2 H 1.60 0.05 2 608 112 LEU HB3 H 0.83 0.05 2 609 112 LEU CG C 25.2 0.2 1 610 112 LEU HG H 0.58 0.05 1 611 112 LEU HD1 H -0.37 0.05 2 612 112 LEU HD2 H 0.53 0.05 2 613 112 LEU CD1 C 27.0 0.2 1 614 112 LEU CD2 C 25.4 0.2 1 615 112 LEU C C 173.7 0.2 1 616 113 GLU N N 123.0 0.2 1 617 113 GLU H H 8.79 0.05 1 618 113 GLU CA C 54.6 0.2 1 619 113 GLU HA H 4.77 0.05 1 620 113 GLU CB C 34.7 0.2 1 621 113 GLU HB2 H 2.30 0.05 2 622 113 GLU HB3 H 1.96 0.05 2 623 113 GLU CG C 37.0 0.2 1 624 113 GLU HG2 H 2.44 0.05 2 625 113 GLU HG3 H 2.26 0.05 2 626 113 GLU C C 175.2 0.2 1 627 114 LYS N N 121.2 0.2 1 628 114 LYS H H 8.93 0.05 1 629 114 LYS CA C 60.3 0.2 1 630 114 LYS HA H 4.10 0.05 1 631 114 LYS CB C 31.5 0.2 1 632 114 LYS HB2 H 1.86 0.05 1 633 114 LYS HB3 H 1.86 0.05 1 634 114 LYS CG C 25.6 0.2 1 635 114 LYS HG2 H 1.37 0.05 1 636 114 LYS HG3 H 1.37 0.05 1 637 114 LYS CD C 29.6 0.2 1 638 114 LYS HD2 H 1.66 0.05 1 639 114 LYS HD3 H 1.66 0.05 1 640 114 LYS CE C 36.8 0.2 1 641 114 LYS HE2 H 2.90 0.05 1 642 114 LYS HE3 H 2.90 0.05 1 643 114 LYS C C 178.2 0.2 1 644 115 GLY N N 117.2 0.2 1 645 115 GLY H H 9.60 0.05 1 646 115 GLY CA C 46.7 0.2 1 647 115 GLY HA2 H 3.80 0.05 1 648 115 GLY HA3 H 3.80 0.05 1 649 115 GLY C C 177.4 0.2 1 650 116 LYS N N 118.4 0.2 1 651 116 LYS H H 8.39 0.05 1 652 116 LYS CA C 57.1 0.2 1 653 116 LYS HA H 5.10 0.05 1 654 116 LYS CB C 37.1 0.2 1 655 116 LYS HB2 H 1.82 0.05 2 656 116 LYS HB3 H 1.60 0.05 2 657 116 LYS CG C 24.9 0.2 1 658 116 LYS HG2 H 1.47 0.05 2 659 116 LYS HG3 H 1.35 0.05 2 660 116 LYS CD C 30.1 0.2 1 661 116 LYS HD2 H 1.66 0.05 1 662 116 LYS HD3 H 1.66 0.05 1 663 116 LYS CE C 35.6 0.2 1 664 116 LYS HE2 H 2.96 0.05 1 665 116 LYS HE3 H 2.96 0.05 1 666 116 LYS C C 172.2 0.2 1 667 117 LEU N N 127.1 0.2 1 668 117 LEU H H 9.23 0.05 1 669 117 LEU CA C 53.7 0.2 1 670 117 LEU HA H 5.47 0.05 1 671 117 LEU CB C 45.2 0.2 1 672 117 LEU HB2 H 1.82 0.05 2 673 117 LEU HB3 H 1.12 0.05 2 674 117 LEU HG H 1.48 0.05 1 675 117 LEU HD1 H 0.78 0.05 2 676 117 LEU HD2 H 0.77 0.05 2 677 117 LEU CD1 C 24.8 0.2 1 678 117 LEU CD2 C 26.3 0.2 1 679 117 LEU C C 175.7 0.2 1 680 118 THR N N 115.9 0.2 1 681 118 THR H H 9.37 0.05 1 682 118 THR CA C 60.5 0.2 1 683 118 THR HA H 5.05 0.05 1 684 118 THR CB C 72.2 0.2 1 685 118 THR HB H 4.48 0.05 1 686 118 THR HG2 H 1.27 0.05 1 687 118 THR CG2 C 22.6 0.2 1 688 118 THR C C 173.8 0.2 1 689 119 ASP N N 120.0 0.2 1 690 119 ASP H H 9.14 0.05 1 691 119 ASP CA C 55.4 0.2 1 692 119 ASP HA H 4.46 0.05 1 693 119 ASP CB C 39.8 0.2 1 694 119 ASP HB2 H 3.01 0.05 2 695 119 ASP HB3 H 2.81 0.05 2 696 119 ASP C C 174.9 0.2 1 697 120 VAL N N 117.1 0.2 1 698 120 VAL H H 7.94 0.05 1 699 120 VAL CA C 64.2 0.2 1 700 120 VAL HA H 4.47 0.05 1 701 120 VAL CB C 31.9 0.2 1 702 120 VAL HB H 1.98 0.05 1 703 120 VAL HG1 H 0.93 0.05 2 704 120 VAL HG2 H 0.75 0.05 2 705 120 VAL CG1 C 22.8 0.2 1 706 120 VAL CG2 C 24.3 0.2 1 707 120 VAL C C 177.4 0.2 1 708 121 GLU N N 128.2 0.2 1 709 121 GLU H H 9.20 0.05 1 710 121 GLU CA C 55.6 0.2 1 711 121 GLU HA H 4.81 0.05 1 712 121 GLU CB C 32.1 0.2 1 713 121 GLU HB2 H 2.08 0.05 2 714 121 GLU HB3 H 2.02 0.05 2 715 121 GLU HG2 H 2.33 0.05 2 716 121 GLU HG3 H 1.78 0.05 2 717 121 GLU C C 175.4 0.2 1 718 122 GLY N N 110.2 0.2 1 719 122 GLY H H 8.33 0.05 1 720 122 GLY CA C 46.7 0.2 1 721 122 GLY HA2 H 4.82 0.05 2 722 122 GLY HA3 H 3.67 0.05 2 723 123 ILE N N 115.9 0.2 1 724 123 ILE H H 8.14 0.05 1 725 123 ILE CA C 61.0 0.2 1 726 123 ILE HA H 5.38 0.05 1 727 123 ILE CB C 42.1 0.2 1 728 123 ILE HB H 1.53 0.05 1 729 123 ILE HG2 H 0.70 0.05 1 730 123 ILE CG2 C 18.4 0.2 1 731 123 ILE CG1 C 27.7 0.2 1 732 123 ILE HG12 H 1.74 0.05 2 733 123 ILE HD1 H 0.86 0.05 1 734 123 ILE CD1 C 13.8 0.2 1 735 123 ILE C C 176.5 0.2 1 736 124 LYS N N 126.3 0.2 1 737 124 LYS H H 9.50 0.05 1 738 124 LYS CA C 55.3 0.2 1 739 124 LYS HA H 5.37 0.05 1 740 124 LYS CB C 39.9 0.2 1 741 124 LYS HB2 H 1.95 0.05 2 742 124 LYS HB3 H 1.24 0.05 2 743 124 LYS CG C 26.6 0.2 1 744 124 LYS HG2 H 0.96 0.05 1 745 124 LYS HG3 H 0.96 0.05 1 746 124 LYS CD C 30.4 0.2 1 747 124 LYS CE C 41.8 0.2 1 748 124 LYS C C 174.8 0.2 1 749 125 THR N N 113.7 0.2 1 750 125 THR H H 9.38 0.05 1 751 125 THR CA C 59.6 0.2 1 752 125 THR HA H 5.36 0.05 1 753 125 THR CB C 71.6 0.2 1 754 125 THR HB H 3.78 0.05 1 755 125 THR HG2 H 0.81 0.05 1 756 125 THR CG2 C 18.8 0.2 1 757 125 THR C C 170.4 0.2 1 758 126 LYS N N 127.4 0.2 1 759 126 LYS H H 6.63 0.05 1 760 126 LYS CA C 56.3 0.2 1 761 126 LYS HA H 4.04 0.05 1 762 126 LYS CB C 32.8 0.2 1 763 126 LYS HB2 H 1.12 0.05 2 764 126 LYS HB3 H -0.22 0.05 2 765 126 LYS CG C 24.9 0.2 1 766 126 LYS HG2 H 0.32 0.05 2 767 126 LYS HG3 H -0.25 0.05 2 768 126 LYS CD C 29.0 0.2 1 769 126 LYS HD2 H 0.84 0.05 1 770 126 LYS HD3 H 0.84 0.05 1 771 126 LYS CE C 41.7 0.2 1 772 126 LYS HE2 H 2.31 0.05 2 773 126 LYS HE3 H 2.27 0.05 2 774 126 LYS C C 175.7 0.2 1 775 127 VAL N N 131.4 0.2 1 776 127 VAL H H 8.46 0.05 1 777 127 VAL CA C 63.2 0.2 1 778 127 VAL HA H 4.06 0.05 1 779 127 VAL CB C 32.1 0.2 1 780 127 VAL HB H 2.17 0.05 1 781 127 VAL HG1 H 0.97 0.05 2 782 127 VAL HG2 H 0.88 0.05 2 783 127 VAL CG1 C 22.1 0.2 1 784 127 VAL CG2 C 20.7 0.2 1 785 127 VAL C C 176.2 0.2 1 786 128 MET N N 120.8 0.2 1 787 128 MET H H 8.63 0.05 1 788 128 MET CA C 61.1 0.2 1 789 128 MET HA H 3.94 0.05 1 790 128 MET CB C 32.1 0.2 1 791 128 MET HB2 H 2.62 0.05 2 792 128 MET HB3 H 2.53 0.05 2 793 128 MET CG C 30.9 0.2 1 794 129 ILE N N 114.1 0.2 1 795 129 ILE H H 8.02 0.05 1 796 129 ILE CA C 59.9 0.2 1 797 129 ILE HA H 4.41 0.05 1 798 129 ILE CB C 41.8 0.2 1 799 129 ILE HB H 2.14 0.05 1 800 129 ILE HG2 H 0.95 0.05 1 801 129 ILE CG2 C 18.6 0.2 1 802 129 ILE CG1 C 25.9 0.2 1 803 129 ILE HG12 H 1.20 0.05 2 804 129 ILE HG13 H 1.03 0.05 2 805 129 ILE HD1 H 0.90 0.05 1 806 129 ILE CD1 C 14.2 0.2 1 807 130 TRP N N 121.1 0.2 1 808 130 TRP H H 8.37 0.05 1 809 130 TRP CA C 58.6 0.2 1 810 130 TRP HA H 4.75 0.05 1 811 130 TRP CB C 30.6 0.2 1 812 130 TRP HB2 H 3.14 0.05 2 813 130 TRP HB3 H 2.76 0.05 2 814 130 TRP C C 176.6 0.2 1 815 131 VAL N N 122.4 0.2 1 816 131 VAL H H 9.29 0.05 1 817 131 VAL CA C 60.9 0.2 1 818 131 VAL HA H 4.55 0.05 1 819 131 VAL CB C 36.4 0.2 1 820 131 VAL HB H 1.96 0.05 1 821 131 VAL HG1 H 1.01 0.05 2 822 131 VAL HG2 H 0.97 0.05 2 823 131 VAL CG1 C 21.8 0.2 1 824 131 VAL CG2 C 20.7 0.2 1 825 131 VAL C C 174.8 0.2 1 826 132 LYS N N 125.5 0.2 1 827 132 LYS H H 8.68 0.05 1 828 132 LYS CA C 58.9 0.2 1 829 132 LYS HA H 4.26 0.05 1 830 132 LYS CB C 34.1 0.2 1 831 132 LYS HB2 H 1.89 0.05 1 832 132 LYS HB3 H 1.89 0.05 1 833 132 LYS CG C 26.4 0.2 1 834 132 LYS HG2 H 1.25 0.05 2 835 132 LYS HG3 H 1.69 0.05 2 836 132 LYS CD C 30.4 0.2 1 837 132 LYS CE C 39.3 0.2 1 838 132 LYS HE2 H 3.22 0.05 2 839 132 LYS HE3 H 3.12 0.05 2 840 132 LYS C C 175.9 0.2 1 841 133 VAL N N 127.0 0.2 1 842 133 VAL H H 8.41 0.05 1 843 133 VAL CA C 61.5 0.2 1 844 133 VAL HA H 4.62 0.05 1 845 133 VAL CB C 33.3 0.2 1 846 133 VAL HB H 1.91 0.05 1 847 133 VAL HG1 H 0.98 0.05 2 848 133 VAL HG2 H 1.03 0.05 2 849 133 VAL CG1 C 23.2 0.2 1 850 133 VAL C C 175.2 0.2 1 851 134 THR N N 114.2 0.2 1 852 134 THR H H 8.99 0.05 1 853 134 THR CA C 62.7 0.2 1 854 134 THR HA H 4.88 0.05 1 855 134 THR CB C 69.9 0.2 1 856 134 THR HB H 4.60 0.05 1 857 134 THR HG2 H 1.29 0.05 1 858 134 THR CG2 C 22.7 0.2 1 859 134 THR C C 176.0 0.2 1 860 135 SER N N 115.1 0.2 1 861 135 SER H H 7.48 0.05 1 862 135 SER CA C 58.5 0.2 1 863 135 SER HA H 5.25 0.05 1 864 135 SER CB C 66.5 0.2 1 865 135 SER HB2 H 4.00 0.05 2 866 135 SER HB3 H 3.96 0.05 2 867 135 SER C C 172.0 0.2 1 868 136 ILE N N 124.7 0.2 1 869 136 ILE H H 9.16 0.05 1 870 136 ILE CA C 60.8 0.2 1 871 136 ILE HA H 4.84 0.05 1 872 136 ILE CB C 42.5 0.2 1 873 136 ILE HB H 1.47 0.05 1 874 136 ILE HG2 H 0.23 0.05 1 875 136 ILE CG2 C 16.7 0.2 1 876 136 ILE CG1 C 27.9 0.2 1 877 136 ILE HD1 H 0.79 0.05 1 878 136 ILE CD1 C 14.3 0.2 1 879 136 ILE C C 173.9 0.2 1 880 137 SER N N 120.5 0.2 1 881 137 SER H H 8.84 0.05 1 882 137 SER CA C 57.0 0.2 1 883 137 SER HA H 5.60 0.05 1 884 137 SER CB C 67.1 0.2 1 885 137 SER HB2 H 4.22 0.05 2 886 137 SER HB3 H 3.85 0.05 2 887 137 SER C C 173.8 0.2 1 888 138 THR N N 108.1 0.2 1 889 138 THR H H 8.50 0.05 1 890 138 THR CA C 59.6 0.2 1 891 138 THR HA H 5.56 0.05 1 892 138 THR CB C 73.3 0.2 1 893 138 THR HB H 4.71 0.05 1 894 138 THR HG2 H 1.14 0.05 1 895 138 THR CG2 C 23.7 0.2 1 896 138 THR C C 176.2 0.2 1 897 139 ASP N N 120.8 0.2 1 898 139 ASP H H 8.64 0.05 1 899 139 ASP CA C 54.4 0.2 1 900 139 ASP HA H 4.76 0.05 1 901 139 ASP CB C 42.6 0.2 1 902 139 ASP HB2 H 3.44 0.05 2 903 139 ASP HB3 H 2.92 0.05 2 904 139 ASP C C 176.1 0.2 1 905 140 ALA N N 118.5 0.2 1 906 140 ALA H H 8.26 0.05 1 907 140 ALA CA C 56.2 0.2 1 908 140 ALA HA H 4.19 0.05 1 909 140 ALA HB H 1.49 0.05 1 910 140 ALA CB C 18.9 0.2 1 911 140 ALA C C 178.8 0.2 1 912 141 SER N N 108.1 0.2 1 913 141 SER H H 8.17 0.05 1 914 141 SER CA C 59.2 0.2 1 915 141 SER HA H 4.84 0.05 1 916 141 SER CB C 66.3 0.2 1 917 141 SER HB2 H 3.98 0.05 2 918 141 SER HB3 H 3.87 0.05 2 919 141 SER C C 174.4 0.2 1 920 142 LYS N N 125.5 0.2 1 921 142 LYS H H 8.89 0.05 1 922 142 LYS CA C 55.7 0.2 1 923 142 LYS HA H 4.99 0.05 1 924 142 LYS CB C 35.8 0.2 1 925 142 LYS HB2 H 1.63 0.05 2 926 142 LYS HB3 H 0.92 0.05 2 927 142 LYS HG2 H 1.29 0.05 1 928 142 LYS HG3 H 1.29 0.05 1 929 142 LYS CD C 29.1 0.2 1 930 142 LYS HD2 H 1.51 0.05 1 931 142 LYS HD3 H 1.51 0.05 1 932 142 LYS HE2 H 2.94 0.05 1 933 142 LYS HE3 H 2.94 0.05 1 934 142 LYS C C 173.7 0.2 1 935 143 VAL N N 118.3 0.2 1 936 143 VAL H H 8.62 0.05 1 937 143 VAL CA C 58.6 0.2 1 938 143 VAL HA H 4.60 0.05 1 939 143 VAL CB C 35.1 0.2 1 940 143 VAL HB H 1.25 0.05 1 941 143 VAL HG1 H 0.23 0.05 2 942 143 VAL HG2 H 0.18 0.05 2 943 143 VAL CG1 C 20.2 0.2 1 944 143 VAL CG2 C 22.2 0.2 1 945 143 VAL C C 171.4 0.2 1 946 144 TYR N N 124.9 0.2 1 947 144 TYR H H 9.38 0.05 1 948 144 TYR CA C 56.4 0.2 1 949 144 TYR HA H 5.06 0.05 1 950 144 TYR CB C 39.4 0.2 1 951 144 TYR HB2 H 2.89 0.05 2 952 144 TYR HB3 H 2.29 0.05 2 953 144 TYR C C 175.9 0.2 1 954 145 PHE N N 123.0 0.2 1 955 145 PHE H H 9.15 0.05 1 956 145 PHE CA C 57.0 0.2 1 957 145 PHE HA H 4.88 0.05 1 958 145 PHE CB C 41.4 0.2 1 959 145 PHE HB2 H 2.92 0.05 2 960 145 PHE HB3 H 2.67 0.05 2 961 145 PHE C C 175.6 0.2 1 962 146 THR N N 122.05 0.2 1 963 146 THR H H 9.0 0.05 1 964 146 THR CA C 64.1 0.2 1 965 146 THR HA H 4.47 0.05 1 966 146 THR CB C 68.2 0.2 1 967 146 THR HB H 4.26 0.05 1 968 146 THR HG2 H 1.13 0.05 1 969 146 THR CG2 C 21.8 0.2 1 970 146 THR C C 171.8 0.2 1 971 147 ALA N N 136.2 0.2 1 972 147 ALA H H 8.20 0.05 1 973 147 ALA CA C 50.8 0.2 1 974 147 ALA HA H 5.21 0.05 1 975 147 ALA HB H 1.11 0.05 1 976 147 ALA CB C 19.2 0.2 1 977 148 GLY N N 113.1 0.2 1 978 148 GLY H H 8.59 0.05 1 979 148 GLY CA C 47.1 0.2 1 980 148 GLY HA2 H 4.53 0.05 2 981 148 GLY HA3 H 3.45 0.05 2 982 148 GLY C C 174.1 0.2 1 983 149 MET N N 120.7 0.2 1 984 149 MET H H 7.64 0.05 1 985 149 MET CA C 54.8 0.2 1 986 149 MET HA H 4.60 0.05 1 987 149 MET CB C 34.6 0.2 1 988 149 MET HB2 H 2.21 0.05 2 989 149 MET HB3 H 2.01 0.05 2 990 149 MET CG C 31.9 0.2 1 991 149 MET HG2 H 2.58 0.05 1 992 149 MET HG3 H 2.58 0.05 1 993 149 MET C C 174.6 0.2 1 994 150 LYS N N 123.3 0.2 1 995 150 LYS H H 8.71 0.05 1 996 150 LYS CA C 57.3 0.2 1 997 150 LYS HA H 4.73 0.05 1 998 150 LYS CB C 33.5 0.2 1 999 150 LYS HB2 H 1.81 0.05 2 1000 150 LYS HB3 H 1.70 0.05 2 1001 150 LYS HG2 H 1.31 0.05 2 1002 150 LYS HG3 H 1.24 0.05 2 1003 150 LYS CD C 29.7 0.2 1 1004 150 LYS HD2 H 1.48 0.05 1 1005 150 LYS HD3 H 1.48 0.05 1 1006 150 LYS CE C 41.7 0.2 1 1007 150 LYS HE2 H 2.63 0.05 2 1008 150 LYS C C 175.8 0.2 1 1009 151 LYS N N 128.1 0.2 1 1010 151 LYS H H 8.96 0.05 1 1011 151 LYS CA C 54.0 0.2 1 1012 151 LYS HA H 4.86 0.05 1 1013 151 LYS CB C 33.9 0.2 1 1014 151 LYS HB2 H 1.96 0.05 1 1015 151 LYS HB3 H 1.96 0.05 1 1016 151 LYS HG2 H 1.45 0.05 1 1017 151 LYS HG3 H 1.45 0.05 1 1018 151 LYS HD2 H 1.59 0.05 1 1019 151 LYS HD3 H 1.59 0.05 1 1020 151 LYS HE2 H 3.01 0.05 2 1021 151 LYS C C 175.3 0.2 1 1022 152 SER N N 119.5 0.2 1 1023 152 SER H H 8.80 0.05 1 1024 152 SER CA C 57.0 0.2 1 1025 152 SER HA H 4.87 0.05 1 1026 152 SER CB C 65.6 0.2 1 1027 152 SER HB2 H 3.78 0.05 2 1028 152 SER HB3 H 3.54 0.05 2 1029 152 SER C C 173.9 0.2 1 1030 153 ARG N N 123.6 0.2 1 1031 153 ARG H H 9.03 0.05 1 1032 153 ARG CA C 54.6 0.2 1 1033 153 ARG HA H 4.83 0.05 1 1034 153 ARG CB C 34.4 0.2 1 1035 153 ARG HB2 H 2.20 0.05 2 1036 153 ARG HB3 H 1.44 0.05 2 1037 153 ARG CG C 29.7 0.2 1 1038 153 ARG HG2 H 1.53 0.05 2 1039 153 ARG HG3 H 1.46 0.05 2 1040 153 ARG CD C 44.4 0.2 1 1041 153 ARG HD2 H 2.96 0.05 2 1042 153 ARG HD3 H 3.53 0.05 2 1043 153 ARG NE N 122.2 0.2 1 1044 153 ARG HE H 7.09 0.05 1 1045 153 ARG C C 174.4 0.2 1 1046 154 SER N N 116.9 0.2 1 1047 154 SER H H 9.38 0.05 1 1048 154 SER CA C 59.1 0.2 1 1049 154 SER HA H 4.42 0.05 1 1050 154 SER CB C 64.2 0.2 1 1051 154 SER HB2 H 4.15 0.05 2 1052 154 SER HB3 H 4.03 0.05 2 1053 154 SER C C 176.3 0.2 1 1054 155 ARG N N 126.8 0.2 1 1055 155 ARG H H 8.43 0.05 1 1056 155 ARG CA C 61.2 0.2 1 1057 155 ARG HA H 3.77 0.05 1 1058 155 ARG CB C 30.3 0.2 1 1059 155 ARG HB2 H 1.83 0.05 2 1060 155 ARG HB3 H 1.40 0.05 2 1061 155 ARG HG2 H 1.36 0.05 2 1062 155 ARG CD C 43.9 0.2 1 1063 155 ARG HD2 H 2.93 0.05 1 1064 155 ARG HD3 H 2.93 0.05 1 1065 155 ARG C C 178.8 0.2 1 1066 156 ASP N N 119.3 0.2 1 1067 156 ASP H H 8.48 0.05 1 1068 156 ASP CA C 57.6 0.2 1 1069 156 ASP HA H 4.39 0.05 1 1070 156 ASP CB C 40.9 0.2 1 1071 156 ASP HB2 H 2.69 0.05 1 1072 156 ASP HB3 H 2.69 0.05 1 1073 156 ASP C C 178.8 0.2 1 1074 157 ALA N N 121.6 0.2 1 1075 157 ALA H H 7.58 0.05 1 1076 157 ALA CA C 54.6 0.2 1 1077 157 ALA HA H 4.19 0.05 1 1078 157 ALA HB H 1.53 0.05 1 1079 157 ALA CB C 17.9 0.2 1 1080 157 ALA C C 177.1 0.2 1 1081 158 TYR N N 115.7 0.2 1 1082 158 TYR H H 7.40 0.05 1 1083 158 TYR CA C 58.9 0.2 1 1084 158 TYR HA H 4.38 0.05 1 1085 158 TYR CB C 39.6 0.2 1 1086 158 TYR HB2 H 3.09 0.05 2 1087 158 TYR HB3 H 2.47 0.05 2 1088 158 TYR C C 175.0 0.2 1 1089 159 GLY N N 107.1 0.2 1 1090 159 GLY H H 7.64 0.05 1 1091 159 GLY CA C 46.5 0.2 1 1092 159 GLY HA2 H 4.35 0.05 2 1093 159 GLY HA3 H 3.93 0.05 2 1094 159 GLY C C 172.5 0.2 1 1095 160 VAL N N 116.0 0.2 1 1096 160 VAL H H 7.20 0.05 1 1097 160 VAL CA C 60.4 0.2 1 1098 160 VAL HA H 4.38 0.05 1 1099 160 VAL CB C 35.1 0.2 1 1100 160 VAL HB H 2.02 0.05 1 1101 160 VAL HG1 H 0.95 0.05 2 1102 160 VAL HG2 H 0.92 0.05 2 1103 160 VAL CG1 C 21.2 0.2 1 1104 160 VAL CG2 C 20.5 0.2 1 1105 160 VAL C C 174.7 0.2 1 1106 161 GLN N N 122.2 0.2 1 1107 161 GLN H H 8.71 0.05 1 1108 161 GLN CA C 55.9 0.2 1 1109 161 GLN HA H 4.98 0.05 1 1110 161 GLN CB C 31.9 0.2 1 1111 161 GLN HB2 H 2.05 0.05 2 1112 161 GLN HB3 H 1.78 0.05 2 1113 161 GLN CG C 35.7 0.2 1 1114 161 GLN HG2 H 2.25 0.05 2 1115 161 GLN HG3 H 2.19 0.05 2 1116 161 GLN C C 175.6 0.2 1 1117 162 ARG N N 122.9 0.2 1 1118 162 ARG H H 8.87 0.05 1 1119 162 ARG CA C 54.7 0.2 1 1120 162 ARG HA H 4.58 0.05 1 1121 162 ARG CB C 34.1 0.2 1 1122 162 ARG HB2 H 1.87 0.05 2 1123 162 ARG HB3 H 1.54 0.05 2 1124 162 ARG CG C 27.4 0.2 1 1125 162 ARG HG2 H 1.59 0.05 1 1126 162 ARG HG3 H 1.59 0.05 1 1127 162 ARG CD C 43.8 0.2 1 1128 162 ARG HD2 H 3.14 0.05 1 1129 162 ARG HD3 H 3.14 0.05 1 1130 162 ARG C C 175.9 0.2 1 1131 163 ASN N N 121.6 0.2 1 1132 163 ASN H H 8.67 0.05 1 1133 163 ASN CA C 53.4 0.2 1 1134 163 ASN HA H 4.72 0.05 1 1135 163 ASN CB C 38.5 0.2 1 1136 163 ASN HB2 H 2.85 0.05 2 1137 163 ASN HB3 H 2.67 0.05 2 1138 163 ASN C C 176.1 0.2 1 1139 164 GLY N N 108.6 0.2 1 1140 164 GLY H H 9.36 0.05 1 1141 164 GLY CA C 45.9 0.2 1 1142 164 GLY HA2 H 4.09 0.05 2 1143 164 GLY HA3 H 3.45 0.05 2 1144 164 GLY C C 173.0 0.2 1 1145 165 LEU N N 126.6 0.2 1 1146 165 LEU H H 9.14 0.05 1 1147 165 LEU CA C 54.1 0.2 1 1148 165 LEU HA H 4.68 0.05 1 1149 165 LEU CB C 43.4 0.2 1 1150 165 LEU HB2 H 1.81 0.05 2 1151 165 LEU HB3 H 1.65 0.05 2 1152 165 LEU HG H 0.92 0.05 1 1153 165 LEU HD1 H 0.98 0.05 2 1154 165 LEU HD2 H 0.97 0.05 2 1155 165 LEU CD1 C 24.7 0.2 1 1156 165 LEU C C 176.0 0.2 1 1157 166 ARG N N 127.8 0.2 1 1158 166 ARG H H 8.72 0.05 1 1159 166 ARG CA C 58.4 0.2 1 1160 166 ARG HA H 4.44 0.05 1 1161 166 ARG CB C 30.4 0.2 1 1162 166 ARG HB2 H 1.81 0.05 1 1163 166 ARG HB3 H 1.81 0.05 1 1164 166 ARG CG C 27.9 0.2 1 1165 166 ARG HG2 H 1.84 0.05 2 1166 166 ARG HG3 H 1.57 0.05 2 1167 166 ARG CD C 43.9 0.2 1 1168 166 ARG HD3 H 3.21 0.05 2 1169 166 ARG C C 176.2 0.2 1 1170 167 VAL N N 118.3 0.2 1 1171 167 VAL H H 7.88 0.05 1 1172 167 VAL CA C 60.0 0.2 1 1173 167 VAL HA H 4.68 0.05 1 1174 167 VAL CB C 35.4 0.2 1 1175 167 VAL HB H 2.28 0.05 1 1176 167 VAL HG1 H 0.95 0.05 2 1177 167 VAL HG2 H 0.69 0.05 2 1178 167 VAL CG2 C 19.5 0.2 1 1179 167 VAL C C 175.0 0.2 1 1180 168 ASP N N 117.1 0.2 1 1181 168 ASP H H 8.09 0.05 1 1182 168 ASP CA C 56.7 0.2 1 1183 168 ASP HA H 4.44 0.05 1 1184 168 ASP CB C 42.2 0.2 1 1185 168 ASP HB2 H 2.67 0.05 1 1186 168 ASP HB3 H 2.67 0.05 1 1187 168 ASP C C 176.3 0.2 1 1188 169 LYS N N 117.3 0.2 1 1189 169 LYS H H 7.55 0.05 1 1190 169 LYS CA C 55.4 0.2 1 1191 169 LYS HA H 4.58 0.05 1 1192 169 LYS CB C 36.1 0.2 1 1193 169 LYS HB2 H 1.69 0.05 2 1194 169 LYS HB3 H 1.63 0.05 2 1195 169 LYS CG C 24.8 0.2 1 1196 169 LYS HG2 H 1.30 0.05 2 1197 169 LYS HG3 H 0.92 0.05 2 1198 169 LYS CD C 29.4 0.2 1 1199 169 LYS HD2 H 1.53 0.05 2 1200 169 LYS HD3 H 1.50 0.05 2 1201 169 LYS HE2 H 2.98 0.05 1 1202 169 LYS HE3 H 2.98 0.05 1 1203 169 LYS C C 173.8 0.2 1 1204 170 PHE N N 130.2 0.2 1 1205 170 PHE H H 8.75 0.05 1 1206 170 PHE CA C 60.2 0.2 1 1207 170 PHE HA H 4.01 0.05 1 1208 170 PHE CB C 40.9 0.2 1 1209 170 PHE HB2 H 2.89 0.05 1 1210 170 PHE HB3 H 2.89 0.05 1 stop_ save_