data_50229 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments for the microtubule-binding region of the kinetoplastid kinetochore protein KKT4 115-343 ; _BMRB_accession_number 50229 _BMRB_flat_file_name bmr50229.str _Entry_type original _Submission_date 2020-04-09 _Accession_date 2020-04-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details '1H, 13C and 15N resonance assignments for the microtubule-binding region of the kinetoplastid kinetochore protein KKT4 115-343' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ludzia Patryk . . 2 Akiyoshi Bungo . . 3 Redfield Christina . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 453 "13C chemical shifts" 393 "15N chemical shifts" 134 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-11-18 update BMRB 'update entry citation' 2020-07-24 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 50215 'kinetoplastid kinetochore protein KKT4 115-174' 50228 'kinetoplastid kinetochore protein KKT4 145-232' stop_ _Original_release_date 2020-04-09 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1 H, 13 C and 15 N resonance assignments for the microtubule-binding domain of the kinetoplastid kinetochore protein KKT4 from Trypanosoma brucei ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32696260 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ludzia Patryk . . 2 Akiyoshi Bungo . . 3 Redfield Christina . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 14 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 309 _Page_last 315 _Year 2020 _Details . loop_ _Keyword KKT4 'NMR resonance assignments' Trypanosome kinetochore kinetoplastid stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name KKT4_115_343 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'KKT4 115-343' $entity_1 stop_ _System_molecular_weight 51403.14 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'kinetochore protein' microtubule-binding stop_ _Database_query_date . _Details '51403.14 is molecular mass of a dimer' save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 25701.57 _Mol_thiol_state 'all free' loop_ _Biological_function 'kinetoplastid kinetochore protein' microtubule-binding stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 231 _Mol_residue_sequence ; SMKYGVVSVERYERLMARYK ELEKQSHRRQGKRSEPVVDT QRVLDLEEEVARLKRTIGHL QGVVEEKESALEKHATQHNL EVHEMKKNYELKIKSLTQTH EAAVRKLVSAQELVTAARNY QTAVCANNVGGGNSVSTTSG QPLSNTVNHTRGLTTTSSGS GPNQPYTLPHPDGNAWMSAT TSDDRSAPVTTKNSHSVKRE REGTVSTTPTRPLKKRNPRT PSYTVADRISE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 113 SER 2 114 MET 3 115 LYS 4 116 TYR 5 117 GLY 6 118 VAL 7 119 VAL 8 120 SER 9 121 VAL 10 122 GLU 11 123 ARG 12 124 TYR 13 125 GLU 14 126 ARG 15 127 LEU 16 128 MET 17 129 ALA 18 130 ARG 19 131 TYR 20 132 LYS 21 133 GLU 22 134 LEU 23 135 GLU 24 136 LYS 25 137 GLN 26 138 SER 27 139 HIS 28 140 ARG 29 141 ARG 30 142 GLN 31 143 GLY 32 144 LYS 33 145 ARG 34 146 SER 35 147 GLU 36 148 PRO 37 149 VAL 38 150 VAL 39 151 ASP 40 152 THR 41 153 GLN 42 154 ARG 43 155 VAL 44 156 LEU 45 157 ASP 46 158 LEU 47 159 GLU 48 160 GLU 49 161 GLU 50 162 VAL 51 163 ALA 52 164 ARG 53 165 LEU 54 166 LYS 55 167 ARG 56 168 THR 57 169 ILE 58 170 GLY 59 171 HIS 60 172 LEU 61 173 GLN 62 174 GLY 63 175 VAL 64 176 VAL 65 177 GLU 66 178 GLU 67 179 LYS 68 180 GLU 69 181 SER 70 182 ALA 71 183 LEU 72 184 GLU 73 185 LYS 74 186 HIS 75 187 ALA 76 188 THR 77 189 GLN 78 190 HIS 79 191 ASN 80 192 LEU 81 193 GLU 82 194 VAL 83 195 HIS 84 196 GLU 85 197 MET 86 198 LYS 87 199 LYS 88 200 ASN 89 201 TYR 90 202 GLU 91 203 LEU 92 204 LYS 93 205 ILE 94 206 LYS 95 207 SER 96 208 LEU 97 209 THR 98 210 GLN 99 211 THR 100 212 HIS 101 213 GLU 102 214 ALA 103 215 ALA 104 216 VAL 105 217 ARG 106 218 LYS 107 219 LEU 108 220 VAL 109 221 SER 110 222 ALA 111 223 GLN 112 224 GLU 113 225 LEU 114 226 VAL 115 227 THR 116 228 ALA 117 229 ALA 118 230 ARG 119 231 ASN 120 232 TYR 121 233 GLN 122 234 THR 123 235 ALA 124 236 VAL 125 237 CYS 126 238 ALA 127 239 ASN 128 240 ASN 129 241 VAL 130 242 GLY 131 243 GLY 132 244 GLY 133 245 ASN 134 246 SER 135 247 VAL 136 248 SER 137 249 THR 138 250 THR 139 251 SER 140 252 GLY 141 253 GLN 142 254 PRO 143 255 LEU 144 256 SER 145 257 ASN 146 258 THR 147 259 VAL 148 260 ASN 149 261 HIS 150 262 THR 151 263 ARG 152 264 GLY 153 265 LEU 154 266 THR 155 267 THR 156 268 THR 157 269 SER 158 270 SER 159 271 GLY 160 272 SER 161 273 GLY 162 274 PRO 163 275 ASN 164 276 GLN 165 277 PRO 166 278 TYR 167 279 THR 168 280 LEU 169 281 PRO 170 282 HIS 171 283 PRO 172 284 ASP 173 285 GLY 174 286 ASN 175 287 ALA 176 288 TRP 177 289 MET 178 290 SER 179 291 ALA 180 292 THR 181 293 THR 182 294 SER 183 295 ASP 184 296 ASP 185 297 ARG 186 298 SER 187 299 ALA 188 300 PRO 189 301 VAL 190 302 THR 191 303 THR 192 304 LYS 193 305 ASN 194 306 SER 195 307 HIS 196 308 SER 197 309 VAL 198 310 LYS 199 311 ARG 200 312 GLU 201 313 ARG 202 314 GLU 203 315 GLY 204 316 THR 205 317 VAL 206 318 SER 207 319 THR 208 320 THR 209 321 PRO 210 322 THR 211 323 ARG 212 324 PRO 213 325 LEU 214 326 LYS 215 327 LYS 216 328 ARG 217 329 ASN 218 330 PRO 219 331 ARG 220 332 THR 221 333 PRO 222 334 SER 223 335 TYR 224 336 THR 225 337 VAL 226 338 ALA 227 339 ASP 228 340 ARG 229 341 ILE 230 342 SER 231 343 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UniProt A0A3L6L4L8 KKT4 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $entity_1 'Trypanosoma brucei brucei' 5691 Eukaryota . Trypanosoma brucei TREU927 Tb927.8.3680 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli BL21(DE3) plasmid pRSF_Duet-1 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 $entity_1 0.35 mM '[U-13C; U-15N]' 'sodium chloride' 150 mM 'natural abundance' HEPES 25 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.35 mM [U-15N] 'sodium chloride' 150 mM 'natural abundance' HEPES 25 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name 'CcpNmr Analysis' _Version 2.4.2 loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 9.7 loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name hmsIST _Version v211_64b loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III HD' _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_BT_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BT HNCA' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCANH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_(H)CC(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH' _Sample_label $sample_1 save_ save_3D_(H)N(CA)NNH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)N(CA)NNH' _Sample_label $sample_1 save_ save_3D_(H)N(COCA)NNH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)N(COCA)NNH' _Sample_label $sample_1 save_ save_2D_BEST_TROSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D BEST TROSY' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_2D_BEST_TROSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D BEST TROSY' _Sample_label $sample_1 save_ save_HCA(CO)N_13 _Saveframe_category NMR_applied_experiment _Experiment_name HCA(CO)N _Sample_label $sample_1 save_ save_HCAN_14 _Saveframe_category NMR_applied_experiment _Experiment_name HCAN _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 7.2 0.1 pH pressure 1 . atm temperature 293.15 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl carbons' ppm 0.0 internal direct . . . 1 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1 na N 15 'methyl protons' ppm 0.0 na indirect . . . 0.101329118 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_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label '3D BT HNCA' '3D 1H-15N TOCSY' '3D CBCA(CO)NH' '3D CBCANH' '3D HNCO' '3D HN(CA)CO' '3D (H)CC(CO)NH' '3D (H)N(CA)NNH' '3D (H)N(COCA)NNH' '2D BEST TROSY' '3D HBHA(CO)NH' HCA(CO)N HCAN '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'KKT4 115-343' _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 1 114 2 MET CA C 55.476 0.000 1 2 114 2 MET CB C 32.893 0.000 1 3 115 3 LYS H H 8.341 0.003 1 4 115 3 LYS HA H 4.207 0.001 1 5 115 3 LYS HB2 H 1.608 0.007 1 6 115 3 LYS C C 175.969 0.000 1 7 115 3 LYS CA C 56.551 0.027 1 8 115 3 LYS CB C 33.193 0.039 1 9 115 3 LYS CG C 24.617 0.000 1 10 115 3 LYS N N 122.937 0.049 1 11 116 4 TYR H H 8.174 0.008 1 12 116 4 TYR C C 176.089 0.000 1 13 116 4 TYR CA C 57.752 0.000 1 14 116 4 TYR CB C 38.935 0.000 1 15 116 4 TYR N N 120.255 0.035 1 16 117 5 GLY H H 8.373 0.002 1 17 117 5 GLY C C 174.177 0.000 1 18 117 5 GLY N N 109.762 0.018 1 19 118 6 VAL H H 8.012 0.005 1 20 118 6 VAL HG1 H 0.737 0.000 2 21 118 6 VAL HG2 H 0.812 0.000 2 22 118 6 VAL C C 174.966 0.000 1 23 118 6 VAL CA C 59.640 0.000 1 24 118 6 VAL CG1 C 18.061 0.000 2 25 118 6 VAL CG2 C 21.842 0.000 2 26 118 6 VAL N N 114.391 0.011 1 27 119 7 VAL H H 8.992 0.004 1 28 119 7 VAL HG1 H 0.542 0.000 2 29 119 7 VAL HG2 H 0.574 0.000 2 30 119 7 VAL CG1 C 20.996 0.000 2 31 119 7 VAL CG2 C 19.849 0.000 2 32 119 7 VAL N N 118.136 0.035 1 33 120 8 SER H H 8.524 0.004 1 34 120 8 SER CA C 58.247 0.000 1 35 120 8 SER N N 119.119 0.032 1 36 121 9 VAL H H 8.407 0.006 1 37 121 9 VAL N N 123.282 0.059 1 38 122 10 GLU H H 8.595 0.004 1 39 122 10 GLU N N 120.324 0.019 1 40 123 11 ARG H H 7.794 0.004 1 41 123 11 ARG N N 120.017 0.022 1 42 124 12 TYR H H 7.950 0.003 1 43 124 12 TYR N N 121.760 0.019 1 44 125 13 GLU H H 9.381 0.002 1 45 125 13 GLU N N 118.345 0.014 1 46 127 15 LEU H H 7.430 0.004 1 47 127 15 LEU HD1 H 0.355 0.000 2 48 127 15 LEU HD2 H 0.514 0.000 2 49 127 15 LEU CD1 C 26.246 0.000 2 50 127 15 LEU CD2 C 21.839 0.000 2 51 127 15 LEU N N 121.938 0.008 1 52 128 16 MET H H 8.568 0.005 1 53 128 16 MET N N 119.886 0.011 1 54 130 18 ARG H H 7.756 0.002 1 55 130 18 ARG N N 119.492 0.012 1 56 131 19 TYR H H 9.067 0.004 1 57 131 19 TYR N N 122.960 0.005 1 58 132 20 LYS H H 8.822 0.004 1 59 132 20 LYS N N 118.573 0.024 1 60 133 21 GLU H H 7.799 0.003 1 61 133 21 GLU CA C 59.117 0.000 1 62 133 21 GLU N N 119.390 0.044 1 63 134 22 LEU H H 7.828 0.002 1 64 134 22 LEU HD1 H 0.480 0.000 2 65 134 22 LEU HD2 H 0.747 0.000 2 66 134 22 LEU CD1 C 25.104 0.000 2 67 134 22 LEU CD2 C 23.885 0.000 2 68 134 22 LEU N N 121.429 0.018 1 69 135 23 GLU H H 8.687 0.002 1 70 135 23 GLU N N 121.979 0.019 1 71 136 24 LYS H H 7.745 0.004 1 72 136 24 LYS N N 118.893 0.015 1 73 137 25 GLN H H 7.838 0.003 1 74 137 25 GLN CA C 57.645 0.000 1 75 137 25 GLN N N 117.675 0.011 1 76 138 26 SER H H 8.006 0.002 1 77 138 26 SER CA C 60.318 0.000 1 78 138 26 SER N N 115.061 0.016 1 79 139 27 HIS H H 7.856 0.002 1 80 139 27 HIS C C 176.260 0.000 1 81 139 27 HIS N N 120.550 0.022 1 82 140 28 ARG H H 7.938 0.004 1 83 140 28 ARG C C 176.801 0.000 1 84 140 28 ARG CA C 56.916 0.000 1 85 140 28 ARG N N 120.599 0.030 1 86 141 29 ARG H H 8.254 0.004 1 87 141 29 ARG N N 121.243 0.030 1 88 142 30 GLN H H 8.321 0.008 1 89 142 30 GLN N N 120.714 0.034 1 90 143 31 GLY H H 8.383 0.008 1 91 143 31 GLY N N 109.974 0.036 1 92 144 32 LYS H H 8.210 0.005 1 93 144 32 LYS N N 121.051 0.029 1 94 145 33 ARG H H 8.477 0.003 1 95 145 33 ARG N N 122.745 0.019 1 96 146 34 SER H H 8.411 0.003 1 97 146 34 SER CA C 58.294 0.000 1 98 146 34 SER N N 117.481 0.031 1 99 147 35 GLU H H 8.350 0.003 1 100 147 35 GLU CA C 54.459 0.000 1 101 147 35 GLU N N 123.892 0.020 1 102 149 37 VAL H H 8.341 0.009 1 103 149 37 VAL N N 121.152 0.031 1 104 150 38 VAL H H 8.292 0.001 1 105 150 38 VAL N N 124.055 0.010 1 106 231 119 ASN HA H 4.654 0.000 1 107 231 119 ASN HB2 H 2.816 0.000 2 108 231 119 ASN HB3 H 2.704 0.000 2 109 231 119 ASN CB C 38.976 0.000 1 110 232 120 TYR H H 7.950 0.003 1 111 232 120 TYR HA H 4.188 0.000 1 112 232 120 TYR CB C 39.052 0.000 1 113 232 120 TYR N N 119.006 0.078 1 114 233 121 GLN C C 176.199 0.000 1 115 233 121 GLN CA C 56.492 0.000 1 116 233 121 GLN CB C 29.534 0.000 1 117 234 122 THR H H 8.099 0.003 1 118 234 122 THR C C 174.286 0.000 1 119 234 122 THR CA C 62.339 0.023 1 120 234 122 THR CB C 69.789 0.014 1 121 234 122 THR N N 115.062 0.038 1 122 235 123 ALA H H 8.227 0.002 1 123 235 123 ALA HA H 4.324 0.000 1 124 235 123 ALA HB H 1.388 0.008 1 125 235 123 ALA C C 177.841 0.000 1 126 235 123 ALA CA C 52.748 0.000 1 127 235 123 ALA CB C 19.269 0.018 1 128 235 123 ALA N N 126.357 0.025 1 129 236 124 VAL H H 8.106 0.005 1 130 236 124 VAL HA H 4.050 0.001 1 131 236 124 VAL HB H 2.046 0.000 1 132 236 124 VAL C C 176.302 0.000 1 133 236 124 VAL CA C 62.603 0.044 1 134 236 124 VAL CB C 32.668 0.015 1 135 236 124 VAL N N 119.251 0.028 1 136 237 125 CYS HA H 4.448 0.002 1 137 237 125 CYS HB2 H 2.910 0.001 1 138 237 125 CYS HB3 H 2.910 0.001 1 139 237 125 CYS C C 174.441 0.000 1 140 237 125 CYS CA C 58.732 0.029 1 141 237 125 CYS CB C 28.096 0.026 1 142 238 126 ALA H H 8.409 0.004 1 143 238 126 ALA HA H 4.288 0.003 1 144 238 126 ALA HB H 1.380 0.002 1 145 238 126 ALA C C 177.353 0.000 1 146 238 126 ALA CA C 52.879 0.020 1 147 238 126 ALA CB C 19.229 0.032 1 148 238 126 ALA N N 126.633 0.037 1 149 239 127 ASN H H 8.357 0.006 1 150 239 127 ASN HA H 4.685 0.019 1 151 239 127 ASN HB2 H 2.804 0.000 2 152 239 127 ASN HB3 H 2.741 0.000 2 153 239 127 ASN C C 174.928 0.000 1 154 239 127 ASN CA C 53.279 0.055 1 155 239 127 ASN CB C 38.894 0.014 1 156 239 127 ASN N N 117.494 0.034 1 157 240 128 ASN H H 8.351 0.004 1 158 240 128 ASN HA H 4.715 0.012 1 159 240 128 ASN HB2 H 2.738 0.000 2 160 240 128 ASN HB3 H 2.813 0.000 2 161 240 128 ASN C C 175.315 0.005 1 162 240 128 ASN CA C 53.218 0.033 1 163 240 128 ASN CB C 38.829 0.000 1 164 240 128 ASN N N 119.252 0.024 1 165 241 129 VAL H H 8.107 0.005 1 166 241 129 VAL HA H 4.117 0.003 1 167 241 129 VAL HB H 2.123 0.000 1 168 241 129 VAL HG1 H 0.916 0.000 1 169 241 129 VAL HG2 H 0.916 0.000 1 170 241 129 VAL C C 176.860 0.006 1 171 241 129 VAL CA C 62.742 0.020 1 172 241 129 VAL CB C 32.462 0.011 1 173 241 129 VAL CG1 C 20.407 0.000 2 174 241 129 VAL CG2 C 21.100 0.000 2 175 241 129 VAL N N 120.179 0.056 1 176 242 130 GLY H H 8.523 0.003 1 177 242 130 GLY HA2 H 3.980 0.005 2 178 242 130 GLY HA3 H 3.977 0.001 2 179 242 130 GLY C C 174.790 0.007 1 180 242 130 GLY CA C 45.370 0.022 1 181 242 130 GLY N N 112.427 0.038 1 182 243 131 GLY H H 8.294 0.004 1 183 243 131 GLY HA2 H 3.972 0.004 1 184 243 131 GLY HA3 H 3.972 0.004 1 185 243 131 GLY C C 174.851 0.007 1 186 243 131 GLY CA C 45.375 0.017 1 187 243 131 GLY N N 108.904 0.042 1 188 244 132 GLY H H 8.365 0.002 1 189 244 132 GLY HA2 H 3.958 0.002 1 190 244 132 GLY HA3 H 3.958 0.002 1 191 244 132 GLY C C 174.029 0.010 1 192 244 132 GLY CA C 45.362 0.016 1 193 244 132 GLY N N 108.904 0.044 1 194 245 133 ASN H H 8.386 0.002 1 195 245 133 ASN HA H 4.759 0.000 1 196 245 133 ASN HB2 H 2.796 0.000 2 197 245 133 ASN HB3 H 2.750 0.000 2 198 245 133 ASN C C 175.335 0.000 1 199 245 133 ASN CA C 53.165 0.000 1 200 245 133 ASN CB C 39.086 0.005 1 201 245 133 ASN N N 118.750 0.039 1 202 246 134 SER H H 8.335 0.002 1 203 246 134 SER HA H 4.475 0.002 1 204 246 134 SER HB2 H 3.857 0.000 1 205 246 134 SER HB3 H 3.857 0.000 1 206 246 134 SER C C 174.469 0.000 1 207 246 134 SER CA C 58.489 0.016 1 208 246 134 SER CB C 63.854 0.032 1 209 246 134 SER N N 116.422 0.035 1 210 247 135 VAL H H 8.186 0.003 1 211 247 135 VAL HA H 4.194 0.003 1 212 247 135 VAL HB H 2.094 0.000 1 213 247 135 VAL C C 176.229 0.003 1 214 247 135 VAL CA C 62.277 0.022 1 215 247 135 VAL CB C 32.698 0.052 1 216 247 135 VAL CG1 C 20.369 0.000 2 217 247 135 VAL CG2 C 21.181 0.000 2 218 247 135 VAL N N 121.455 0.031 1 219 248 136 SER H H 8.435 0.003 1 220 248 136 SER HA H 4.558 0.001 1 221 248 136 SER HB2 H 3.859 0.000 1 222 248 136 SER HB3 H 3.859 0.000 1 223 248 136 SER C C 175.012 0.000 1 224 248 136 SER CA C 58.204 0.001 1 225 248 136 SER CB C 64.001 0.000 1 226 248 136 SER N N 119.332 0.033 1 227 249 137 THR H H 8.299 0.003 1 228 249 137 THR CA C 61.758 0.000 1 229 249 137 THR CB C 69.828 0.000 1 230 249 137 THR N N 116.124 0.019 1 231 250 138 THR HA H 4.456 0.005 1 232 250 138 THR HB H 4.316 0.001 1 233 250 138 THR CA C 61.924 0.003 1 234 250 138 THR CB C 69.757 0.021 1 235 251 139 SER H H 8.213 0.006 1 236 251 139 SER HA H 4.404 0.000 1 237 251 139 SER HB2 H 3.883 0.000 1 238 251 139 SER HB3 H 3.883 0.000 1 239 251 139 SER C C 174.991 0.000 1 240 251 139 SER CA C 58.611 0.008 1 241 251 139 SER CB C 63.961 0.000 1 242 251 139 SER N N 115.577 0.040 1 243 252 140 GLY H H 8.418 0.004 1 244 252 140 GLY HA2 H 3.955 0.002 1 245 252 140 GLY HA3 H 3.955 0.002 1 246 252 140 GLY C C 173.759 0.007 1 247 252 140 GLY CA C 45.284 0.057 1 248 252 140 GLY N N 110.968 0.041 1 249 253 141 GLN H H 8.146 0.003 1 250 253 141 GLN HA H 4.612 0.002 1 251 253 141 GLN HB2 H 1.897 0.000 2 252 253 141 GLN HB3 H 2.076 0.000 2 253 253 141 GLN HG2 H 2.348 0.000 1 254 253 141 GLN HG3 H 2.348 0.000 1 255 253 141 GLN C C 173.986 0.000 1 256 253 141 GLN CA C 53.656 0.032 1 257 253 141 GLN CB C 28.932 0.007 1 258 253 141 GLN N N 120.753 0.029 1 259 254 142 PRO HA H 4.420 0.005 1 260 254 142 PRO HB2 H 2.268 0.000 2 261 254 142 PRO HB3 H 1.883 0.000 2 262 254 142 PRO HD2 H 3.781 0.005 2 263 254 142 PRO HD3 H 3.630 0.001 2 264 254 142 PRO C C 176.951 0.000 1 265 254 142 PRO CA C 63.100 0.048 1 266 254 142 PRO CB C 32.062 0.043 1 267 254 142 PRO CG C 27.361 0.000 1 268 254 142 PRO CD C 50.594 0.052 1 269 254 142 PRO N N 137.080 0.033 1 270 255 143 LEU H H 8.436 0.003 1 271 255 143 LEU HA H 4.311 0.009 1 272 255 143 LEU HB2 H 1.563 0.000 2 273 255 143 LEU HB3 H 1.624 0.000 2 274 255 143 LEU C C 177.646 0.003 1 275 255 143 LEU CA C 55.301 0.012 1 276 255 143 LEU CB C 42.317 0.007 1 277 255 143 LEU N N 122.637 0.047 1 278 256 144 SER H H 8.298 0.003 1 279 256 144 SER HA H 4.418 0.000 1 280 256 144 SER HB2 H 3.840 0.000 1 281 256 144 SER HB3 H 3.840 0.000 1 282 256 144 SER C C 174.311 0.015 1 283 256 144 SER CA C 58.239 0.000 1 284 256 144 SER CB C 63.869 0.000 1 285 256 144 SER N N 116.139 0.045 1 286 257 145 ASN H H 8.480 0.004 1 287 257 145 ASN HA H 4.772 0.000 1 288 257 145 ASN HB2 H 2.805 0.000 1 289 257 145 ASN HB3 H 2.805 0.000 1 290 257 145 ASN C C 175.355 0.033 1 291 257 145 ASN CA C 53.366 0.012 1 292 257 145 ASN CB C 38.811 0.021 1 293 257 145 ASN N N 120.917 0.050 1 294 258 146 THR H H 8.121 0.003 1 295 258 146 THR HA H 4.311 0.004 1 296 258 146 THR HB H 4.201 0.002 1 297 258 146 THR HG2 H 1.171 0.000 1 298 258 146 THR C C 174.602 0.005 1 299 258 146 THR CA C 62.124 0.032 1 300 258 146 THR CB C 69.868 0.026 1 301 258 146 THR CG2 C 21.641 0.000 1 302 258 146 THR N N 114.217 0.032 1 303 259 147 VAL H H 8.100 0.002 1 304 259 147 VAL HA H 4.052 0.002 1 305 259 147 VAL HB H 1.996 0.003 1 306 259 147 VAL C C 175.642 0.015 1 307 259 147 VAL CA C 62.531 0.026 1 308 259 147 VAL CB C 32.660 0.021 1 309 259 147 VAL N N 122.186 0.033 1 310 260 148 ASN H H 8.440 0.003 1 311 260 148 ASN HA H 4.697 0.006 1 312 260 148 ASN HB2 H 2.684 0.000 2 313 260 148 ASN HB3 H 2.781 0.000 2 314 260 148 ASN C C 175.057 0.000 1 315 260 148 ASN CA C 53.160 0.025 1 316 260 148 ASN CB C 38.930 0.000 1 317 260 148 ASN N N 122.193 0.044 1 318 261 149 HIS HA H 4.644 0.005 1 319 261 149 HIS HB2 H 3.069 0.006 2 320 261 149 HIS HB3 H 3.131 0.008 2 321 261 149 HIS C C 175.797 0.000 1 322 261 149 HIS CA C 56.660 0.035 1 323 261 149 HIS CB C 30.967 0.048 1 324 262 150 THR H H 8.161 0.004 1 325 262 150 THR HA H 4.294 0.007 1 326 262 150 THR HB H 4.210 0.000 1 327 262 150 THR C C 174.647 0.000 1 328 262 150 THR CA C 62.211 0.037 1 329 262 150 THR CB C 69.700 0.000 1 330 262 150 THR CG2 C 21.493 0.000 1 331 262 150 THR N N 115.185 0.045 1 332 263 151 ARG H H 8.429 0.003 1 333 263 151 ARG HA H 4.302 0.009 1 334 263 151 ARG HB2 H 1.866 0.000 2 335 263 151 ARG HB3 H 1.769 0.000 2 336 263 151 ARG C C 176.673 0.000 1 337 263 151 ARG CA C 56.511 0.014 1 338 263 151 ARG CB C 30.659 0.000 1 339 263 151 ARG CG C 27.141 0.000 1 340 263 151 ARG CD C 43.280 0.000 1 341 263 151 ARG N N 123.637 0.066 1 342 264 152 GLY H H 8.400 0.003 1 343 264 152 GLY HA2 H 3.935 0.003 1 344 264 152 GLY HA3 H 3.935 0.003 1 345 264 152 GLY C C 173.955 0.000 1 346 264 152 GLY CA C 45.268 0.013 1 347 264 152 GLY N N 109.890 0.042 1 348 265 153 LEU H H 8.141 0.003 1 349 265 153 LEU HA H 4.420 0.003 1 350 265 153 LEU HB2 H 1.618 0.002 1 351 265 153 LEU HB3 H 1.618 0.002 1 352 265 153 LEU C C 177.729 0.000 1 353 265 153 LEU CA C 55.272 0.020 1 354 265 153 LEU CB C 42.571 0.021 1 355 265 153 LEU CG C 26.987 0.000 1 356 265 153 LEU CD1 C 23.465 0.000 2 357 265 153 LEU CD2 C 24.770 0.000 2 358 265 153 LEU N N 121.665 0.038 1 359 266 154 THR H H 8.261 0.006 1 360 266 154 THR HA H 4.447 0.004 1 361 266 154 THR HB H 4.250 0.000 1 362 266 154 THR HG2 H 1.178 0.000 1 363 266 154 THR C C 174.705 0.000 1 364 266 154 THR CA C 61.685 0.017 1 365 266 154 THR CB C 69.906 0.000 1 366 266 154 THR N N 114.949 0.052 1 367 270 158 SER HA H 4.468 0.003 1 368 270 158 SER HB2 H 3.883 0.000 1 369 270 158 SER HB3 H 3.883 0.000 1 370 270 158 SER C C 174.991 0.000 1 371 270 158 SER CA C 58.611 0.008 1 372 270 158 SER CB C 63.961 0.000 1 373 271 159 GLY H H 8.418 0.004 1 374 271 159 GLY HA2 H 3.992 0.026 1 375 271 159 GLY HA3 H 3.992 0.026 1 376 271 159 GLY C C 174.043 0.000 1 377 271 159 GLY CA C 45.377 0.072 1 378 271 159 GLY N N 110.974 0.046 1 379 272 160 SER H H 8.244 0.005 1 380 272 160 SER HA H 4.524 0.004 1 381 272 160 SER HB2 H 3.855 0.001 1 382 272 160 SER HB3 H 3.855 0.001 1 383 272 160 SER C C 174.553 0.000 1 384 272 160 SER CA C 58.204 0.017 1 385 272 160 SER CB C 64.101 0.066 1 386 272 160 SER N N 115.556 0.026 1 387 273 161 GLY H H 8.310 0.004 1 388 273 161 GLY HA2 H 4.109 0.003 1 389 273 161 GLY HA3 H 4.109 0.003 1 390 273 161 GLY C C 171.965 0.000 1 391 273 161 GLY CA C 44.763 0.012 1 392 273 161 GLY N N 110.863 0.048 1 393 274 162 PRO HA H 4.425 0.003 1 394 274 162 PRO HB2 H 1.912 0.000 2 395 274 162 PRO HB3 H 2.237 0.000 2 396 274 162 PRO HD2 H 3.625 0.002 2 397 274 162 PRO HD3 H 3.587 0.002 2 398 274 162 PRO C C 176.921 0.000 1 399 274 162 PRO CA C 63.305 0.031 1 400 274 162 PRO CB C 32.132 0.031 1 401 274 162 PRO CG C 26.980 0.000 1 402 274 162 PRO CD C 49.766 0.028 1 403 274 162 PRO N N 133.901 0.005 1 404 275 163 ASN H H 8.546 0.006 1 405 275 163 ASN HA H 4.649 0.003 1 406 275 163 ASN HB2 H 2.712 0.003 2 407 275 163 ASN HB3 H 2.791 0.001 2 408 275 163 ASN C C 174.741 0.001 1 409 275 163 ASN CA C 53.319 0.046 1 410 275 163 ASN CB C 38.762 0.009 1 411 275 163 ASN N N 118.503 0.043 1 412 276 164 GLN H H 8.161 0.003 1 413 276 164 GLN HA H 4.593 0.001 1 414 276 164 GLN HB2 H 1.865 0.000 2 415 276 164 GLN HB3 H 2.015 0.000 2 416 276 164 GLN HG2 H 2.305 0.000 1 417 276 164 GLN C C 173.889 0.000 1 418 276 164 GLN CA C 53.616 0.006 1 419 276 164 GLN CB C 29.054 0.000 1 420 276 164 GLN N N 121.155 0.038 1 421 277 165 PRO HA H 4.373 0.006 1 422 277 165 PRO HB2 H 2.185 0.000 2 423 277 165 PRO HB3 H 1.785 0.000 2 424 277 165 PRO C C 176.372 0.013 1 425 277 165 PRO CA C 63.252 0.065 1 426 277 165 PRO CB C 31.969 0.000 1 427 277 165 PRO CG C 27.201 0.000 1 428 277 165 PRO N N 136.788 0.053 1 429 278 166 TYR H H 8.194 0.003 1 430 278 166 TYR HA H 4.587 0.002 1 431 278 166 TYR HB2 H 2.987 0.003 1 432 278 166 TYR HB3 H 2.987 0.003 1 433 278 166 TYR C C 175.628 0.007 1 434 278 166 TYR CA C 57.823 0.032 1 435 278 166 TYR CB C 38.772 0.013 1 436 278 166 TYR N N 120.338 0.036 1 437 279 167 THR H H 7.948 0.003 1 438 279 167 THR HA H 4.266 0.005 1 439 279 167 THR HB H 4.035 0.003 1 440 279 167 THR HG2 H 1.105 0.000 1 441 279 167 THR C C 173.426 0.002 1 442 279 167 THR CA C 61.346 0.034 1 443 279 167 THR CB C 70.226 0.025 1 444 279 167 THR CG2 C 21.555 0.018 1 445 279 167 THR N N 117.318 0.038 1 446 280 168 LEU H H 8.164 0.002 1 447 280 168 LEU HA H 4.513 0.004 1 448 280 168 LEU HB2 H 1.534 0.000 1 449 280 168 LEU HB3 H 1.534 0.000 1 450 280 168 LEU C C 175.092 0.000 1 451 280 168 LEU CA C 53.022 0.035 1 452 280 168 LEU CB C 41.900 0.006 1 453 280 168 LEU N N 126.252 0.035 1 454 281 169 PRO HA H 4.349 0.003 1 455 281 169 PRO HB2 H 2.189 0.000 2 456 281 169 PRO HB3 H 1.790 0.000 2 457 281 169 PRO HD2 H 3.657 0.000 2 458 281 169 PRO HD3 H 3.808 0.003 2 459 281 169 PRO C C 176.241 0.000 1 460 281 169 PRO CA C 62.926 0.019 1 461 281 169 PRO CB C 32.033 0.000 1 462 281 169 PRO CG C 27.222 0.000 1 463 281 169 PRO CD C 50.574 0.007 1 464 281 169 PRO N N 135.745 0.049 1 465 282 170 HIS H H 8.322 0.004 1 466 282 170 HIS HB2 H 3.034 0.002 2 467 282 170 HIS HB3 H 2.973 0.007 2 468 282 170 HIS C C 174.044 0.000 1 469 282 170 HIS CB C 30.484 0.014 1 470 282 170 HIS N N 121.232 0.072 1 471 283 171 PRO HA H 4.354 0.002 1 472 283 171 PRO HB2 H 1.880 0.000 2 473 283 171 PRO HB3 H 2.213 0.000 2 474 283 171 PRO HD2 H 3.658 0.000 2 475 283 171 PRO HD3 H 3.228 0.001 2 476 283 171 PRO C C 176.812 0.000 1 477 283 171 PRO CA C 63.782 0.033 1 478 283 171 PRO CB C 32.032 0.000 1 479 283 171 PRO CG C 27.235 0.000 1 480 283 171 PRO CD C 50.598 0.042 1 481 283 171 PRO N N 138.204 0.020 1 482 284 172 ASP H H 8.882 0.008 1 483 284 172 ASP HA H 4.642 0.002 1 484 284 172 ASP HB2 H 2.697 0.004 1 485 284 172 ASP HB3 H 2.697 0.004 1 486 284 172 ASP C C 177.047 0.000 1 487 284 172 ASP CA C 54.371 0.022 1 488 284 172 ASP CB C 41.257 0.010 1 489 284 172 ASP N N 120.634 0.050 1 490 285 173 GLY H H 8.350 0.004 1 491 285 173 GLY HA2 H 3.941 0.004 1 492 285 173 GLY HA3 H 3.941 0.004 1 493 285 173 GLY C C 174.168 0.001 1 494 285 173 GLY CA C 45.753 0.006 1 495 285 173 GLY N N 109.407 0.034 1 496 286 174 ASN H H 8.321 0.005 1 497 286 174 ASN HA H 4.647 0.002 1 498 286 174 ASN HB2 H 2.643 0.000 1 499 286 174 ASN HB3 H 2.643 0.000 1 500 286 174 ASN C C 175.530 0.005 1 501 286 174 ASN CA C 53.250 0.020 1 502 286 174 ASN CB C 38.913 0.030 1 503 286 174 ASN N N 118.402 0.028 1 504 287 175 ALA H H 8.211 0.003 1 505 287 175 ALA HA H 4.168 0.001 1 506 287 175 ALA HB H 1.297 0.003 1 507 287 175 ALA C C 177.687 0.001 1 508 287 175 ALA CA C 53.365 0.023 1 509 287 175 ALA CB C 18.796 0.020 1 510 287 175 ALA N N 124.219 0.035 1 511 288 176 TRP H H 7.948 0.004 1 512 288 176 TRP HA H 4.550 0.001 1 513 288 176 TRP HB2 H 3.247 0.003 1 514 288 176 TRP HB3 H 3.247 0.003 1 515 288 176 TRP HD1 H 7.261 0.000 1 516 288 176 TRP HE1 H 10.155 0.002 1 517 288 176 TRP C C 176.406 0.002 1 518 288 176 TRP CA C 57.468 0.045 1 519 288 176 TRP CB C 29.050 0.029 1 520 288 176 TRP N N 118.913 0.033 1 521 288 176 TRP NE1 N 129.784 0.038 1 522 289 177 MET H H 7.764 0.003 1 523 289 177 MET HA H 4.213 0.002 1 524 289 177 MET HB2 H 1.875 0.001 2 525 289 177 MET HB3 H 1.757 0.001 2 526 289 177 MET HG2 H 2.098 0.000 1 527 289 177 MET HG3 H 2.098 0.000 1 528 289 177 MET C C 175.904 0.008 1 529 289 177 MET CA C 55.884 0.032 1 530 289 177 MET CB C 32.794 0.017 1 531 289 177 MET CG C 31.490 0.000 1 532 289 177 MET N N 121.361 0.034 1 533 290 178 SER H H 8.034 0.003 1 534 290 178 SER HA H 4.337 0.003 1 535 290 178 SER HB2 H 3.820 0.000 1 536 290 178 SER HB3 H 3.820 0.000 1 537 290 178 SER C C 174.200 0.005 1 538 290 178 SER CA C 58.338 0.011 1 539 290 178 SER CB C 63.850 0.022 1 540 290 178 SER N N 116.215 0.041 1 541 291 179 ALA H H 8.257 0.004 1 542 291 179 ALA HA H 4.391 0.002 1 543 291 179 ALA HB H 1.411 0.004 1 544 291 179 ALA C C 177.904 0.005 1 545 291 179 ALA CA C 52.670 0.018 1 546 291 179 ALA CB C 19.423 0.025 1 547 291 179 ALA N N 125.873 0.037 1 548 292 180 THR H H 8.183 0.003 1 549 292 180 THR HA H 4.420 0.006 1 550 292 180 THR HB H 4.245 0.003 1 551 292 180 THR HG2 H 1.194 0.000 1 552 292 180 THR C C 174.818 0.000 1 553 292 180 THR CA C 61.777 0.014 1 554 292 180 THR CB C 69.891 0.000 1 555 292 180 THR CG2 C 21.551 0.000 1 556 292 180 THR N N 113.062 0.043 1 557 293 181 THR H H 8.177 0.003 1 558 293 181 THR HA H 4.430 0.003 1 559 293 181 THR HB H 4.282 0.000 1 560 293 181 THR HG2 H 1.197 0.000 1 561 293 181 THR C C 174.546 0.000 1 562 293 181 THR CA C 61.675 0.002 1 563 293 181 THR CB C 70.032 0.000 1 564 293 181 THR CG2 C 21.580 0.000 1 565 293 181 THR N N 115.927 0.033 1 566 294 182 SER H H 8.373 0.003 1 567 294 182 SER HA H 4.456 0.003 1 568 294 182 SER HB2 H 3.852 0.000 1 569 294 182 SER HB3 H 3.852 0.000 1 570 294 182 SER C C 174.203 0.016 1 571 294 182 SER CA C 58.402 0.028 1 572 294 182 SER CB C 63.969 0.028 1 573 294 182 SER N N 117.903 0.024 1 574 295 183 ASP H H 8.367 0.004 1 575 295 183 ASP HA H 4.607 0.002 1 576 295 183 ASP HB2 H 2.620 0.007 2 577 295 183 ASP HB3 H 2.702 0.004 2 578 295 183 ASP C C 175.909 0.000 1 579 295 183 ASP CA C 54.372 0.030 1 580 295 183 ASP CB C 41.205 0.002 1 581 295 183 ASP N N 122.597 0.062 1 582 296 184 ASP H H 8.286 0.003 1 583 296 184 ASP HA H 4.557 0.001 1 584 296 184 ASP HB2 H 2.677 0.000 1 585 296 184 ASP HB3 H 2.677 0.000 1 586 296 184 ASP C C 176.661 0.000 1 587 296 184 ASP CA C 54.493 0.053 1 588 296 184 ASP CB C 40.886 0.017 1 589 296 184 ASP N N 121.078 0.042 1 590 297 185 ARG H H 8.324 0.005 1 591 297 185 ARG HA H 4.319 0.005 1 592 297 185 ARG HB2 H 1.911 0.000 2 593 297 185 ARG HB3 H 1.782 0.004 2 594 297 185 ARG HG2 H 1.623 0.000 1 595 297 185 ARG HD2 H 3.177 0.000 1 596 297 185 ARG C C 176.595 0.000 1 597 297 185 ARG CA C 56.340 0.007 1 598 297 185 ARG CB C 30.360 0.000 1 599 297 185 ARG CG C 26.964 0.000 1 600 297 185 ARG CD C 43.210 0.000 1 601 297 185 ARG N N 121.480 0.068 1 602 298 186 SER H H 8.264 0.003 1 603 298 186 SER HA H 4.389 0.001 1 604 298 186 SER HB2 H 3.849 0.000 1 605 298 186 SER HB3 H 3.849 0.000 1 606 298 186 SER C C 173.802 0.010 1 607 298 186 SER CA C 58.492 0.010 1 608 298 186 SER CB C 63.999 0.000 1 609 298 186 SER N N 116.352 0.042 1 610 299 187 ALA H H 8.142 0.003 1 611 299 187 ALA HA H 4.570 0.003 1 612 299 187 ALA HB H 1.340 0.003 1 613 299 187 ALA C C 175.334 0.000 1 614 299 187 ALA CA C 50.631 0.012 1 615 299 187 ALA CB C 18.250 0.026 1 616 299 187 ALA N N 126.915 0.049 1 617 300 188 PRO HA H 4.443 0.002 1 618 300 188 PRO HB2 H 2.260 0.000 2 619 300 188 PRO HB3 H 1.855 0.000 2 620 300 188 PRO HD2 H 3.772 0.000 2 621 300 188 PRO HD3 H 3.610 0.000 2 622 300 188 PRO C C 176.971 0.007 1 623 300 188 PRO CA C 63.016 0.014 1 624 300 188 PRO CB C 32.065 0.000 1 625 300 188 PRO CG C 27.344 0.000 1 626 300 188 PRO CD C 50.474 0.006 1 627 300 188 PRO N N 135.807 0.007 1 628 301 189 VAL H H 8.342 0.005 1 629 301 189 VAL HA H 4.150 0.003 1 630 301 189 VAL HB H 2.072 0.005 1 631 301 189 VAL HG1 H 0.948 0.000 1 632 301 189 VAL HG2 H 0.948 0.000 1 633 301 189 VAL C C 176.626 0.013 1 634 301 189 VAL CA C 62.450 0.021 1 635 301 189 VAL CB C 32.717 0.001 1 636 301 189 VAL CG1 C 20.650 0.000 2 637 301 189 VAL CG2 C 21.280 0.000 2 638 301 189 VAL N N 120.811 0.037 1 639 302 190 THR H H 8.304 0.004 1 640 302 190 THR HA H 4.435 0.001 1 641 302 190 THR HB H 4.234 0.000 1 642 302 190 THR HG2 H 1.179 0.000 1 643 302 190 THR C C 174.620 0.005 1 644 302 190 THR CA C 61.599 0.006 1 645 302 190 THR CB C 69.911 0.007 1 646 302 190 THR CG2 C 21.521 0.000 1 647 302 190 THR N N 118.027 0.037 1 648 303 191 THR H H 8.180 0.003 1 649 303 191 THR HA H 4.341 0.005 1 650 303 191 THR C C 174.551 0.000 1 651 303 191 THR CA C 61.819 0.068 1 652 303 191 THR CB C 69.888 0.030 1 653 303 191 THR CG2 C 21.640 0.000 1 654 303 191 THR N N 116.586 0.050 1 655 304 192 LYS H H 8.359 0.011 1 656 304 192 LYS CB C 33.012 0.000 1 657 304 192 LYS N N 123.628 0.046 1 658 307 195 HIS HA H 4.633 0.005 1 659 307 195 HIS HB2 H 3.061 0.002 2 660 307 195 HIS HB3 H 3.130 0.009 2 661 307 195 HIS CA C 56.571 0.033 1 662 307 195 HIS CB C 30.905 0.039 1 663 308 196 SER H H 8.154 0.007 1 664 308 196 SER HA H 4.429 0.000 1 665 308 196 SER CA C 58.410 0.002 1 666 308 196 SER N N 116.874 0.061 1 667 309 197 VAL H H 8.129 0.004 1 668 309 197 VAL HA H 4.093 0.004 1 669 309 197 VAL HB H 2.051 0.006 1 670 309 197 VAL C C 176.059 0.000 1 671 309 197 VAL CA C 62.446 0.014 1 672 309 197 VAL CB C 32.709 0.042 1 673 309 197 VAL CG1 C 20.578 0.000 2 674 309 197 VAL CG2 C 21.262 0.000 2 675 309 197 VAL N N 122.164 0.013 1 676 310 198 LYS H H 8.358 0.004 1 677 310 198 LYS HA H 4.279 0.000 1 678 310 198 LYS HB2 H 1.747 0.000 1 679 310 198 LYS HB3 H 1.747 0.000 1 680 310 198 LYS C C 176.425 0.000 1 681 310 198 LYS CA C 56.442 0.012 1 682 310 198 LYS CB C 32.975 0.084 1 683 310 198 LYS CG C 24.750 0.000 1 684 310 198 LYS CD C 29.136 0.000 1 685 310 198 LYS N N 125.436 0.031 1 686 311 199 ARG H H 8.408 0.003 1 687 311 199 ARG HA H 4.285 0.000 1 688 311 199 ARG HB2 H 1.745 0.000 1 689 311 199 ARG HB3 H 1.745 0.000 1 690 311 199 ARG C C 176.385 0.000 1 691 311 199 ARG CA C 56.188 0.000 1 692 311 199 ARG CB C 30.898 0.000 1 693 311 199 ARG N N 123.255 0.019 1 694 312 200 GLU H H 8.508 0.003 1 695 312 200 GLU HA H 4.254 0.005 1 696 312 200 GLU HB2 H 2.028 0.000 2 697 312 200 GLU HB3 H 1.940 0.020 2 698 312 200 GLU C C 176.559 0.000 1 699 312 200 GLU CA C 56.827 0.085 1 700 312 200 GLU CB C 30.259 0.022 1 701 312 200 GLU CG C 36.215 0.017 1 702 312 200 GLU N N 122.470 0.035 1 703 313 201 ARG H H 8.420 0.004 1 704 313 201 ARG HA H 4.282 0.004 1 705 313 201 ARG HB2 H 1.775 0.003 2 706 313 201 ARG HB3 H 1.832 0.005 2 707 313 201 ARG HG2 H 1.622 0.000 1 708 313 201 ARG HD2 H 3.182 0.000 1 709 313 201 ARG HD3 H 3.182 0.000 1 710 313 201 ARG C C 176.420 0.041 1 711 313 201 ARG CA C 56.320 0.062 1 712 313 201 ARG CB C 30.731 0.085 1 713 313 201 ARG CG C 27.085 0.000 1 714 313 201 ARG CD C 43.272 0.000 1 715 313 201 ARG N N 121.482 0.041 1 716 314 202 GLU H H 8.507 0.003 1 717 314 202 GLU HA H 4.259 0.004 1 718 314 202 GLU HB2 H 2.051 0.003 2 719 314 202 GLU HB3 H 1.943 0.020 2 720 314 202 GLU HG2 H 2.273 0.000 1 721 314 202 GLU HG3 H 2.273 0.000 1 722 314 202 GLU C C 176.972 0.005 1 723 314 202 GLU CA C 56.867 0.041 1 724 314 202 GLU CB C 30.306 0.052 1 725 314 202 GLU CG C 36.252 0.020 1 726 314 202 GLU N N 122.477 0.039 1 727 315 203 GLY H H 8.485 0.003 1 728 315 203 GLY HA2 H 3.994 0.002 1 729 315 203 GLY HA3 H 3.994 0.002 1 730 315 203 GLY C C 174.234 0.010 1 731 315 203 GLY CA C 45.336 0.011 1 732 315 203 GLY N N 110.204 0.035 1 733 316 204 THR H H 8.083 0.003 1 734 316 204 THR HA H 4.361 0.002 1 735 316 204 THR HB H 4.172 0.000 1 736 316 204 THR HG2 H 1.171 0.000 1 737 316 204 THR C C 174.612 0.009 1 738 316 204 THR CA C 61.990 0.024 1 739 316 204 THR CB C 70.051 0.020 1 740 316 204 THR CG2 C 21.631 0.000 1 741 316 204 THR N N 114.307 0.055 1 742 317 205 VAL H H 8.277 0.004 1 743 317 205 VAL HA H 4.183 0.004 1 744 317 205 VAL HB H 2.078 0.001 1 745 317 205 VAL HG1 H 0.924 0.000 1 746 317 205 VAL HG2 H 0.924 0.000 1 747 317 205 VAL C C 176.119 0.003 1 748 317 205 VAL CA C 62.240 0.031 1 749 317 205 VAL CB C 32.890 0.079 1 750 317 205 VAL CG1 C 20.490 0.000 2 751 317 205 VAL CG2 C 21.089 0.000 2 752 317 205 VAL N N 122.964 0.042 1 753 318 206 SER H H 8.509 0.004 1 754 318 206 SER HA H 4.545 0.004 1 755 318 206 SER HB2 H 3.849 0.000 1 756 318 206 SER HB3 H 3.849 0.000 1 757 318 206 SER C C 174.778 0.000 1 758 318 206 SER CA C 58.171 0.028 1 759 318 206 SER CB C 63.931 0.000 1 760 318 206 SER N N 120.122 0.041 1 761 319 207 THR H H 8.282 0.001 1 762 319 207 THR HA H 4.401 0.004 1 763 319 207 THR HB H 4.252 0.000 1 764 319 207 THR C C 174.470 0.001 1 765 319 207 THR CA C 61.651 0.031 1 766 319 207 THR CB C 69.766 0.019 1 767 319 207 THR CG2 C 21.649 0.000 1 768 319 207 THR N N 116.202 0.047 1 769 320 208 THR H H 8.232 0.003 1 770 320 208 THR HA H 4.592 0.003 1 771 320 208 THR HG2 H 1.232 0.000 1 772 320 208 THR C C 172.761 0.000 1 773 320 208 THR CA C 59.962 0.025 1 774 320 208 THR CB C 69.797 0.000 1 775 320 208 THR N N 119.357 0.039 1 776 321 209 PRO HA H 4.478 0.003 1 777 321 209 PRO HB2 H 2.307 0.007 2 778 321 209 PRO HB3 H 1.895 0.000 2 779 321 209 PRO HD2 H 3.871 0.003 2 780 321 209 PRO HD3 H 3.713 0.005 2 781 321 209 PRO C C 177.008 0.000 1 782 321 209 PRO CA C 63.277 0.031 1 783 321 209 PRO CB C 32.205 0.000 1 784 321 209 PRO CG C 27.309 0.000 1 785 321 209 PRO CD C 51.216 0.000 1 786 321 209 PRO N N 139.272 0.040 1 787 322 210 THR H H 8.297 0.005 1 788 322 210 THR HA H 4.252 0.003 1 789 322 210 THR HB H 4.130 0.008 1 790 322 210 THR HG2 H 1.186 0.000 1 791 322 210 THR C C 174.310 0.008 1 792 322 210 THR CA C 62.060 0.037 1 793 322 210 THR CB C 69.839 0.025 1 794 322 210 THR N N 115.468 0.053 1 795 323 211 ARG H H 8.324 0.004 1 796 323 211 ARG HA H 4.634 0.003 1 797 323 211 ARG HB2 H 1.823 0.000 2 798 323 211 ARG HB3 H 1.706 0.000 2 799 323 211 ARG C C 173.927 0.000 1 800 323 211 ARG CA C 53.871 0.019 1 801 323 211 ARG CB C 30.286 0.022 1 802 323 211 ARG N N 124.716 0.034 1 803 324 212 PRO HA H 4.395 0.003 1 804 324 212 PRO HB2 H 1.855 0.000 2 805 324 212 PRO HB3 H 2.265 0.003 2 806 324 212 PRO C C 176.712 0.004 1 807 324 212 PRO CA C 62.976 0.048 1 808 324 212 PRO CB C 32.122 0.018 1 809 324 212 PRO CG C 27.312 0.000 1 810 324 212 PRO CD C 50.698 0.000 1 811 324 212 PRO N N 136.756 0.000 1 812 325 213 LEU H H 8.371 0.004 1 813 325 213 LEU HA H 4.293 0.001 1 814 325 213 LEU HB2 H 1.557 0.002 2 815 325 213 LEU HB3 H 1.611 0.001 2 816 325 213 LEU C C 177.359 0.025 1 817 325 213 LEU CA C 55.193 0.026 1 818 325 213 LEU CB C 42.500 0.034 1 819 325 213 LEU CD1 C 23.657 0.000 2 820 325 213 LEU CD2 C 24.752 0.000 2 821 325 213 LEU N N 123.110 0.044 1 822 326 214 LYS H H 8.305 0.005 1 823 326 214 LYS HA H 4.282 0.007 1 824 326 214 LYS HB2 H 1.742 0.000 1 825 326 214 LYS HB3 H 1.742 0.000 1 826 326 214 LYS C C 176.266 0.000 1 827 326 214 LYS CA C 56.161 0.030 1 828 326 214 LYS CB C 33.129 0.011 1 829 326 214 LYS CG C 24.692 0.000 1 830 326 214 LYS N N 122.793 0.037 1 831 327 215 LYS H H 8.349 0.004 1 832 327 215 LYS HA H 4.278 0.007 1 833 327 215 LYS HB2 H 1.754 0.000 1 834 327 215 LYS HB3 H 1.754 0.000 1 835 327 215 LYS C C 176.330 0.000 1 836 327 215 LYS CA C 56.190 0.004 1 837 327 215 LYS CB C 33.097 0.053 1 838 327 215 LYS N N 123.580 0.061 1 839 328 216 ARG H H 8.413 0.009 1 840 328 216 ARG HA H 4.319 0.000 1 841 328 216 ARG CB C 30.831 0.000 1 842 328 216 ARG N N 123.266 0.028 1 843 329 217 ASN HA H 4.932 0.003 1 844 329 217 ASN HB2 H 2.864 0.000 2 845 329 217 ASN HB3 H 2.678 0.000 2 846 329 217 ASN HD21 H 7.643 0.000 1 847 329 217 ASN HD22 H 6.954 0.000 1 848 329 217 ASN CA C 51.299 0.030 1 849 329 217 ASN CB C 38.790 0.000 1 850 330 218 PRO HA H 4.384 0.001 1 851 330 218 PRO HB2 H 2.261 0.000 2 852 330 218 PRO HB3 H 1.921 0.000 2 853 330 218 PRO C C 176.753 0.000 1 854 330 218 PRO CA C 63.389 0.044 1 855 330 218 PRO CB C 32.219 0.000 1 856 330 218 PRO N N 136.649 0.022 1 857 331 219 ARG H H 8.365 0.003 1 858 331 219 ARG HA H 4.307 0.006 1 859 331 219 ARG HB2 H 1.747 0.001 2 860 331 219 ARG HB3 H 1.836 0.001 2 861 331 219 ARG C C 176.303 0.019 1 862 331 219 ARG CA C 56.120 0.024 1 863 331 219 ARG CB C 30.569 0.046 1 864 331 219 ARG CG C 27.190 0.000 1 865 331 219 ARG CD C 43.214 0.000 1 866 331 219 ARG N N 120.309 0.049 1 867 332 220 THR H H 8.085 0.002 1 868 332 220 THR HA H 4.556 0.003 1 869 332 220 THR HB H 4.144 0.000 1 870 332 220 THR HG2 H 1.238 0.000 1 871 332 220 THR C C 172.782 0.000 1 872 332 220 THR CA C 59.871 0.039 1 873 332 220 THR CB C 69.663 0.049 1 874 332 220 THR N N 117.818 0.050 1 875 333 221 PRO HA H 4.376 0.002 1 876 333 221 PRO HB2 H 2.203 0.000 2 877 333 221 PRO HB3 H 1.729 0.001 2 878 333 221 PRO HD2 H 3.844 0.001 2 879 333 221 PRO HD3 H 3.690 0.000 2 880 333 221 PRO C C 176.649 0.010 1 881 333 221 PRO CA C 63.354 0.033 1 882 333 221 PRO CB C 32.164 0.031 1 883 333 221 PRO CG C 27.385 0.000 1 884 333 221 PRO CD C 51.117 0.009 1 885 333 221 PRO N N 138.989 0.022 1 886 334 222 SER H H 8.333 0.004 1 887 334 222 SER HA H 4.423 0.011 1 888 334 222 SER HB2 H 3.806 0.000 1 889 334 222 SER HB3 H 3.806 0.000 1 890 334 222 SER C C 174.040 0.012 1 891 334 222 SER CA C 58.309 0.074 1 892 334 222 SER CB C 63.771 0.051 1 893 334 222 SER N N 115.868 0.052 1 894 335 223 TYR H H 8.126 0.004 1 895 335 223 TYR HA H 4.656 0.001 1 896 335 223 TYR HB2 H 2.968 0.001 2 897 335 223 TYR HB3 H 3.063 0.003 2 898 335 223 TYR C C 175.627 0.001 1 899 335 223 TYR CA C 57.763 0.019 1 900 335 223 TYR CB C 38.885 0.050 1 901 335 223 TYR N N 122.156 0.043 1 902 336 224 THR H H 8.143 0.005 1 903 336 224 THR HA H 4.346 0.003 1 904 336 224 THR HB H 4.137 0.004 1 905 336 224 THR HG2 H 1.135 0.000 1 906 336 224 THR C C 174.151 0.030 1 907 336 224 THR CA C 61.592 0.061 1 908 336 224 THR CB C 70.248 0.023 1 909 336 224 THR CG2 C 21.531 0.000 1 910 336 224 THR N N 116.559 0.064 1 911 337 225 VAL H H 8.162 0.002 1 912 337 225 VAL HA H 4.045 0.004 1 913 337 225 VAL HB H 2.057 0.002 1 914 337 225 VAL HG1 H 0.938 0.000 1 915 337 225 VAL HG2 H 0.938 0.000 1 916 337 225 VAL C C 175.861 0.006 1 917 337 225 VAL CA C 62.524 0.016 1 918 337 225 VAL CB C 32.681 0.047 1 919 337 225 VAL CG1 C 21.249 0.000 2 920 337 225 VAL CG2 C 20.630 0.000 2 921 337 225 VAL N N 122.591 0.046 1 922 338 226 ALA H H 8.307 0.004 1 923 338 226 ALA HA H 4.270 0.004 1 924 338 226 ALA HB H 1.360 0.002 1 925 338 226 ALA C C 177.390 0.005 1 926 338 226 ALA CA C 52.648 0.027 1 927 338 226 ALA CB C 19.299 0.031 1 928 338 226 ALA N N 127.235 0.054 1 929 339 227 ASP H H 8.186 0.003 1 930 339 227 ASP HA H 4.520 0.003 1 931 339 227 ASP HB2 H 2.623 0.004 1 932 339 227 ASP HB3 H 2.623 0.004 1 933 339 227 ASP C C 175.952 0.004 1 934 339 227 ASP CA C 54.509 0.028 1 935 339 227 ASP CB C 41.158 0.006 1 936 339 227 ASP N N 119.386 0.054 1 937 340 228 ARG H H 8.122 0.002 1 938 340 228 ARG HA H 4.338 0.004 1 939 340 228 ARG HB2 H 1.829 0.001 2 940 340 228 ARG HB3 H 1.738 0.000 2 941 340 228 ARG HD2 H 3.161 0.000 1 942 340 228 ARG HD3 H 3.161 0.000 1 943 340 228 ARG C C 176.062 0.011 1 944 340 228 ARG CA C 55.967 0.013 1 945 340 228 ARG CB C 30.904 0.011 1 946 340 228 ARG CG C 26.948 0.000 1 947 340 228 ARG CD C 43.300 0.000 1 948 340 228 ARG N N 120.733 0.030 1 949 341 229 ILE H H 8.262 0.005 1 950 341 229 ILE HA H 4.182 0.003 1 951 341 229 ILE HB H 1.868 0.001 1 952 341 229 ILE HG12 H 1.175 0.000 1 953 341 229 ILE HG2 H 0.899 0.001 1 954 341 229 ILE HD1 H 0.840 0.000 1 955 341 229 ILE C C 176.180 0.023 1 956 341 229 ILE CA C 61.258 0.021 1 957 341 229 ILE CB C 38.663 0.030 1 958 341 229 ILE CG1 C 27.212 0.000 1 959 341 229 ILE CG2 C 17.485 0.051 1 960 341 229 ILE CD1 C 12.798 0.101 1 961 341 229 ILE N N 122.564 0.068 1 962 342 230 SER H H 8.365 0.005 1 963 342 230 SER HA H 4.476 0.001 1 964 342 230 SER HB2 H 3.831 0.001 2 965 342 230 SER HB3 H 3.832 0.000 2 966 342 230 SER C C 173.430 0.003 1 967 342 230 SER CA C 58.193 0.017 1 968 342 230 SER CB C 64.085 0.010 1 969 342 230 SER N N 120.314 0.041 1 970 343 231 GLU H H 8.074 0.003 1 971 343 231 GLU HA H 4.121 0.003 1 972 343 231 GLU HB2 H 1.878 0.003 2 973 343 231 GLU HB3 H 2.032 0.000 2 974 343 231 GLU HG2 H 2.189 0.000 1 975 343 231 GLU HG3 H 2.189 0.000 1 976 343 231 GLU C C 181.068 0.000 1 977 343 231 GLU CA C 58.171 0.008 1 978 343 231 GLU CB C 31.120 0.018 1 979 343 231 GLU CG C 36.727 0.022 1 980 343 231 GLU N N 128.274 0.038 1 stop_ save_