data_30518 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Lim5 domain of PINCH1 protein ; _BMRB_accession_number 30518 _BMRB_flat_file_name bmr30518.str _Entry_type original _Submission_date 2018-09-19 _Accession_date 2018-09-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Qin J. . . 2 Vaynberg J. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 401 "13C chemical shifts" 240 "15N chemical shifts" 76 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-10-26 original BMRB . stop_ _Original_release_date 2018-10-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Lim5 domain of PINCH1 protein ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Qin J. . . 2 Vaynberg J. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'LIM and senescent cell antigen-like-containing domain protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 'entity_2, 1' $entity_ZN 'entity_2, 2' $entity_ZN stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 8994.751 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 79 _Mol_residue_sequence ; GSGDVCFHCNRVIEGDVVSA LNKAWCVNCFACSTCNTKLT LKNKFVEFDMKPVCKKCYEK FPLELKKRLKKLAETLGRK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 247 GLY 2 248 SER 3 249 GLY 4 250 ASP 5 251 VAL 6 252 CYS 7 253 PHE 8 254 HIS 9 255 CYS 10 256 ASN 11 257 ARG 12 258 VAL 13 259 ILE 14 260 GLU 15 261 GLY 16 262 ASP 17 263 VAL 18 264 VAL 19 265 SER 20 266 ALA 21 267 LEU 22 268 ASN 23 269 LYS 24 270 ALA 25 271 TRP 26 272 CYS 27 273 VAL 28 274 ASN 29 275 CYS 30 276 PHE 31 277 ALA 32 278 CYS 33 279 SER 34 280 THR 35 281 CYS 36 282 ASN 37 283 THR 38 284 LYS 39 285 LEU 40 286 THR 41 287 LEU 42 288 LYS 43 289 ASN 44 290 LYS 45 291 PHE 46 292 VAL 47 293 GLU 48 294 PHE 49 295 ASP 50 296 MET 51 297 LYS 52 298 PRO 53 299 VAL 54 300 CYS 55 301 LYS 56 302 LYS 57 303 CYS 58 304 TYR 59 305 GLU 60 306 LYS 61 307 PHE 62 308 PRO 63 309 LEU 64 310 GLU 65 311 LEU 66 312 LYS 67 313 LYS 68 314 ARG 69 315 LEU 70 316 LYS 71 317 LYS 72 318 LEU 73 319 ALA 74 320 GLU 75 321 THR 76 322 LEU 77 323 GLY 78 324 ARG 79 325 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ZN (ZINC ION)" _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'LIMS1, PINCH, PINCH1' 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 $entity_1 'recombinant technology' . Escherichia coli BL21(DE3) . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-15N] Lim5-T, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM [U-15N] NaCl 20 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1.0 mM [U-13C; U-15N] 15N 13C Lim5-T, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' NaCl 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 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' 20 . mM pH 6.5 . pH pressure 1 . Pa temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_2 _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 H 1 'methyl protons' ppm 0 internal direct . . . 1 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_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D HNCACB' '3D HNHA' '3D C(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_2 _Mol_system_component_name entity_1 _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 1 248 2 SER HA H 4.410 0.03 1 2 248 2 SER HB2 H 3.888 0.03 2 3 248 2 SER HB3 H 3.888 0.03 2 4 248 2 SER CA C 56.358 0.50 1 5 248 2 SER CB C 60.766 0.50 1 6 249 3 GLY H H 8.610 0.03 1 7 249 3 GLY HA2 H 3.970 0.03 2 8 249 3 GLY HA3 H 3.860 0.03 2 9 249 3 GLY CA C 42.430 0.50 1 10 249 3 GLY N N 111.020 0.25 1 11 250 4 ASP H H 7.960 0.03 1 12 250 4 ASP HA H 4.543 0.03 1 13 250 4 ASP HB2 H 2.543 0.03 2 14 250 4 ASP HB3 H 2.299 0.03 2 15 250 4 ASP CA C 52.000 0.50 1 16 250 4 ASP CB C 39.860 0.50 1 17 250 4 ASP N N 120.180 0.25 1 18 251 5 VAL H H 8.170 0.03 1 19 251 5 VAL HA H 4.300 0.03 1 20 251 5 VAL HB H 1.680 0.03 1 21 251 5 VAL HG1 H 0.760 0.03 2 22 251 5 VAL HG2 H 0.610 0.03 2 23 251 5 VAL CA C 57.800 0.50 1 24 251 5 VAL CB C 31.390 0.50 1 25 251 5 VAL CG1 C 18.458 0.50 2 26 251 5 VAL N N 121.840 0.25 1 27 252 6 CYS H H 8.320 0.03 1 28 252 6 CYS HA H 4.290 0.03 1 29 252 6 CYS HB2 H 3.200 0.03 2 30 252 6 CYS HB3 H 3.450 0.03 2 31 252 6 CYS CA C 56.320 0.50 1 32 252 6 CYS CB C 29.720 0.50 1 33 252 6 CYS N N 128.010 0.25 1 34 253 7 PHE H H 9.130 0.03 1 35 253 7 PHE HA H 4.084 0.03 1 36 253 7 PHE HB2 H 2.897 0.03 2 37 253 7 PHE HB3 H 1.428 0.03 2 38 253 7 PHE CA C 57.490 0.50 1 39 253 7 PHE CB C 36.710 0.50 1 40 253 7 PHE N N 130.810 0.25 1 41 254 8 HIS H H 9.230 0.03 1 42 254 8 HIS HA H 4.573 0.03 1 43 254 8 HIS HB2 H 3.550 0.03 2 44 254 8 HIS HB3 H 3.752 0.03 2 45 254 8 HIS CA C 55.770 0.50 1 46 254 8 HIS CB C 28.840 0.50 1 47 254 8 HIS N N 118.330 0.25 1 48 255 9 CYS H H 8.910 0.03 1 49 255 9 CYS HA H 4.576 0.03 1 50 255 9 CYS HB2 H 3.162 0.03 2 51 255 9 CYS HB3 H 2.862 0.03 2 52 255 9 CYS CA C 56.550 0.50 1 53 255 9 CYS CB C 29.110 0.50 1 54 255 9 CYS N N 118.700 0.25 1 55 256 10 ASN H H 7.960 0.03 1 56 256 10 ASN HA H 4.356 0.03 1 57 256 10 ASN HB2 H 3.001 0.03 2 58 256 10 ASN HB3 H 2.625 0.03 2 59 256 10 ASN CA C 52.320 0.50 1 60 256 10 ASN CB C 35.330 0.50 1 61 256 10 ASN N N 117.850 0.25 1 62 257 11 ARG H H 7.830 0.03 1 63 257 11 ARG HA H 4.544 0.03 1 64 257 11 ARG HD2 H 3.220 0.03 2 65 257 11 ARG CA C 52.450 0.50 1 66 257 11 ARG CB C 29.450 0.50 1 67 257 11 ARG CG C 24.990 0.50 1 68 257 11 ARG CD C 40.890 0.50 1 69 257 11 ARG N N 118.320 0.25 1 70 258 12 VAL H H 8.300 0.03 1 71 258 12 VAL HA H 3.945 0.03 1 72 258 12 VAL HB H 1.849 0.03 1 73 258 12 VAL HG1 H 0.869 0.03 2 74 258 12 VAL HG2 H 0.765 0.03 2 75 258 12 VAL CA C 61.110 0.50 1 76 258 12 VAL CB C 28.850 0.50 1 77 258 12 VAL CG1 C 19.175 0.50 2 78 258 12 VAL N N 121.850 0.25 1 79 259 13 ILE H H 8.420 0.03 1 80 259 13 ILE HA H 3.701 0.03 1 81 259 13 ILE HB H 1.451 0.03 1 82 259 13 ILE HG12 H 1.619 0.03 2 83 259 13 ILE HG13 H 1.619 0.03 2 84 259 13 ILE HG2 H 0.798 0.03 1 85 259 13 ILE HD1 H 0.555 0.03 1 86 259 13 ILE CA C 60.460 0.50 1 87 259 13 ILE CB C 36.220 0.50 1 88 259 13 ILE CG1 C 26.181 0.50 1 89 259 13 ILE CG2 C 16.157 0.50 1 90 259 13 ILE CD1 C 12.812 0.50 1 91 259 13 ILE N N 130.650 0.25 1 92 260 14 GLU H H 8.560 0.03 1 93 260 14 GLU HA H 4.413 0.03 1 94 260 14 GLU HB2 H 1.895 0.03 2 95 260 14 GLU HB3 H 2.029 0.03 2 96 260 14 GLU HG2 H 2.270 0.03 2 97 260 14 GLU HG3 H 2.167 0.03 2 98 260 14 GLU CA C 53.270 0.50 1 99 260 14 GLU CB C 28.050 0.50 1 100 260 14 GLU CG C 33.570 0.50 1 101 260 14 GLU N N 129.570 0.25 1 102 261 15 GLY H H 8.260 0.03 1 103 261 15 GLY HA2 H 3.946 0.03 2 104 261 15 GLY HA3 H 3.946 0.03 2 105 261 15 GLY CA C 41.600 0.50 1 106 261 15 GLY N N 111.660 0.25 1 107 262 16 ASP H H 8.300 0.03 1 108 262 16 ASP HA H 4.423 0.03 1 109 262 16 ASP HB2 H 2.502 0.03 2 110 262 16 ASP HB3 H 2.461 0.03 2 111 262 16 ASP CA C 52.610 0.50 1 112 262 16 ASP CB C 38.450 0.50 1 113 262 16 ASP N N 122.780 0.25 1 114 263 17 VAL H H 8.240 0.03 1 115 263 17 VAL HA H 4.211 0.03 1 116 263 17 VAL HB H 1.911 0.03 1 117 263 17 VAL HG1 H 0.957 0.03 2 118 263 17 VAL HG2 H 0.824 0.03 2 119 263 17 VAL CA C 58.710 0.50 1 120 263 17 VAL CB C 31.690 0.50 1 121 263 17 VAL CG1 C 18.697 0.50 2 122 263 17 VAL N N 120.790 0.25 1 123 264 18 VAL H H 9.170 0.03 1 124 264 18 VAL HA H 3.973 0.03 1 125 264 18 VAL HB H 1.830 0.03 1 126 264 18 VAL HG1 H 0.815 0.03 2 127 264 18 VAL HG2 H 0.024 0.03 2 128 264 18 VAL CA C 59.520 0.50 1 129 264 18 VAL CB C 29.860 0.50 1 130 264 18 VAL CG1 C 18.846 0.50 2 131 264 18 VAL CG2 C 17.325 0.50 2 132 264 18 VAL N N 129.550 0.25 1 133 265 19 SER H H 8.340 0.03 1 134 265 19 SER HA H 5.232 0.03 1 135 265 19 SER HB2 H 3.799 0.03 2 136 265 19 SER HB3 H 3.643 0.03 2 137 265 19 SER CA C 53.660 0.50 1 138 265 19 SER CB C 60.410 0.50 1 139 265 19 SER N N 123.620 0.25 1 140 266 20 ALA H H 8.380 0.03 1 141 266 20 ALA HA H 4.534 0.03 1 142 266 20 ALA HB H 0.810 0.03 1 143 266 20 ALA CA C 49.400 0.50 1 144 266 20 ALA CB C 19.500 0.50 1 145 266 20 ALA N N 125.970 0.25 1 146 267 21 LEU H H 9.650 0.03 1 147 267 21 LEU HA H 3.988 0.03 1 148 267 21 LEU HB2 H 2.165 0.03 2 149 267 21 LEU HB3 H 1.749 0.03 2 150 267 21 LEU HG H 1.615 0.03 1 151 267 21 LEU HD1 H 0.870 0.03 2 152 267 21 LEU HD2 H 0.946 0.03 2 153 267 21 LEU CA C 53.130 0.50 1 154 267 21 LEU CB C 35.690 0.50 1 155 267 21 LEU CG C 24.760 0.50 1 156 267 21 LEU CD1 C 23.060 0.50 2 157 267 21 LEU CD2 C 20.867 0.50 2 158 267 21 LEU N N 119.900 0.25 1 159 268 22 ASN H H 8.750 0.03 1 160 268 22 ASN HA H 4.209 0.03 1 161 268 22 ASN HB2 H 3.037 0.03 2 162 268 22 ASN HB3 H 2.934 0.03 2 163 268 22 ASN CA C 52.010 0.50 1 164 268 22 ASN CB C 35.080 0.50 1 165 268 22 ASN N N 110.140 0.25 1 166 269 23 LYS H H 7.820 0.03 1 167 269 23 LYS HA H 4.440 0.03 1 168 269 23 LYS HB2 H 1.313 0.03 2 169 269 23 LYS HB3 H 1.141 0.03 2 170 269 23 LYS HG2 H 0.905 0.03 2 171 269 23 LYS HG3 H 0.691 0.03 2 172 269 23 LYS HD2 H 0.833 0.03 2 173 269 23 LYS HD3 H 0.833 0.03 2 174 269 23 LYS HE2 H 2.407 0.03 2 175 269 23 LYS HE3 H 2.269 0.03 2 176 269 23 LYS CA C 51.410 0.50 1 177 269 23 LYS CB C 33.730 0.50 1 178 269 23 LYS CG C 21.230 0.50 1 179 269 23 LYS CD C 25.940 0.50 1 180 269 23 LYS CE C 39.470 0.50 1 181 269 23 LYS N N 119.550 0.25 1 182 270 24 ALA H H 7.860 0.03 1 183 270 24 ALA HA H 5.193 0.03 1 184 270 24 ALA HB H 1.130 0.03 1 185 270 24 ALA CA C 47.880 0.50 1 186 270 24 ALA CB C 18.390 0.50 1 187 270 24 ALA N N 123.860 0.25 1 188 271 25 TRP H H 8.760 0.03 1 189 271 25 TRP HA H 5.932 0.03 1 190 271 25 TRP HB2 H 3.439 0.03 2 191 271 25 TRP HB3 H 2.758 0.03 2 192 271 25 TRP CA C 52.330 0.50 1 193 271 25 TRP CB C 30.090 0.50 1 194 271 25 TRP N N 118.440 0.25 1 195 272 26 CYS H H 9.250 0.03 1 196 272 26 CYS HA H 4.753 0.03 1 197 272 26 CYS HB2 H 3.359 0.03 2 198 272 26 CYS HB3 H 3.359 0.03 2 199 272 26 CYS CA C 56.100 0.50 1 200 272 26 CYS CB C 28.430 0.50 1 201 272 26 CYS N N 123.730 0.25 1 202 273 27 VAL H H 8.460 0.03 1 203 273 27 VAL HA H 3.737 0.03 1 204 273 27 VAL HB H 2.028 0.03 1 205 273 27 VAL HG1 H 1.074 0.03 2 206 273 27 VAL HG2 H 0.989 0.03 2 207 273 27 VAL CA C 63.780 0.50 1 208 273 27 VAL CB C 28.710 0.50 1 209 273 27 VAL CG1 C 19.615 0.50 2 210 273 27 VAL CG2 C 18.472 0.50 2 211 273 27 VAL N N 121.140 0.25 1 212 274 28 ASN H H 8.390 0.03 1 213 274 28 ASN HA H 4.607 0.03 1 214 274 28 ASN HB2 H 2.920 0.03 2 215 274 28 ASN HD21 H 7.730 0.03 2 216 274 28 ASN HD22 H 6.995 0.03 2 217 274 28 ASN CA C 52.090 0.50 1 218 274 28 ASN CB C 35.840 0.50 1 219 274 28 ASN N N 113.830 0.25 1 220 274 28 ASN ND2 N 113.500 0.25 1 221 275 29 CYS H H 7.770 0.03 1 222 275 29 CYS HA H 4.232 0.03 1 223 275 29 CYS HB2 H 3.279 0.03 2 224 275 29 CYS HB3 H 3.279 0.03 2 225 275 29 CYS CA C 58.970 0.50 1 226 275 29 CYS CB C 29.930 0.50 1 227 275 29 CYS N N 117.730 0.25 1 228 276 30 PHE H H 7.220 0.03 1 229 276 30 PHE HA H 3.870 0.03 1 230 276 30 PHE HB2 H 3.001 0.03 2 231 276 30 PHE HB3 H 2.375 0.03 2 232 276 30 PHE CA C 55.550 0.50 1 233 276 30 PHE CB C 33.680 0.50 1 234 276 30 PHE N N 121.510 0.25 1 235 277 31 ALA H H 6.570 0.03 1 236 277 31 ALA HA H 4.361 0.03 1 237 277 31 ALA HB H 0.762 0.03 1 238 277 31 ALA CA C 46.890 0.50 1 239 277 31 ALA CB C 19.360 0.50 1 240 277 31 ALA N N 127.470 0.25 1 241 278 32 CYS H H 8.380 0.03 1 242 278 32 CYS HA H 3.751 0.03 1 243 278 32 CYS HB2 H 3.210 0.03 2 244 278 32 CYS HB3 H 2.526 0.03 2 245 278 32 CYS CA C 57.340 0.50 1 246 278 32 CYS CB C 28.390 0.50 1 247 278 32 CYS N N 121.210 0.25 1 248 279 33 SER H H 9.100 0.03 1 249 279 33 SER HA H 4.288 0.03 1 250 279 33 SER HB2 H 4.150 0.03 2 251 279 33 SER HB3 H 4.100 0.03 2 252 279 33 SER CA C 58.170 0.50 1 253 279 33 SER CB C 61.700 0.50 1 254 279 33 SER N N 125.980 0.25 1 255 280 34 THR H H 9.300 0.03 1 256 280 34 THR HA H 4.530 0.03 1 257 280 34 THR HB H 4.505 0.03 1 258 280 34 THR HG2 H 1.273 0.03 1 259 280 34 THR CA C 62.430 0.50 1 260 280 34 THR CB C 66.470 0.50 1 261 280 34 THR CG2 C 19.685 0.50 1 262 280 34 THR N N 119.400 0.25 1 263 281 35 CYS H H 8.410 0.03 1 264 281 35 CYS HA H 4.930 0.03 1 265 281 35 CYS HB2 H 3.209 0.03 2 266 281 35 CYS HB3 H 2.505 0.03 2 267 281 35 CYS CA C 56.250 0.50 1 268 281 35 CYS CB C 29.800 0.50 1 269 281 35 CYS N N 120.640 0.25 1 270 282 36 ASN H H 7.840 0.03 1 271 282 36 ASN HA H 4.502 0.03 1 272 282 36 ASN HB2 H 3.001 0.03 2 273 282 36 ASN HB3 H 2.867 0.03 2 274 282 36 ASN CA C 52.470 0.50 1 275 282 36 ASN CB C 35.360 0.50 1 276 282 36 ASN N N 117.930 0.25 1 277 283 37 THR H H 8.160 0.03 1 278 283 37 THR HA H 4.090 0.03 1 279 283 37 THR HB H 3.984 0.03 1 280 283 37 THR HG2 H 1.178 0.03 1 281 283 37 THR CA C 61.380 0.50 1 282 283 37 THR CB C 66.160 0.50 1 283 283 37 THR CG2 C 18.316 0.50 1 284 283 37 THR N N 118.840 0.25 1 285 284 38 LYS H H 8.560 0.03 1 286 284 38 LYS HA H 3.887 0.03 1 287 284 38 LYS HB2 H 1.828 0.03 2 288 284 38 LYS HB3 H 1.775 0.03 2 289 284 38 LYS HG2 H 1.588 0.03 2 290 284 38 LYS HG3 H 1.376 0.03 2 291 284 38 LYS HD2 H 1.672 0.03 2 292 284 38 LYS HD3 H 1.602 0.03 2 293 284 38 LYS HE2 H 2.942 0.03 2 294 284 38 LYS HE3 H 2.942 0.03 2 295 284 38 LYS CA C 55.080 0.50 1 296 284 38 LYS CB C 29.270 0.50 1 297 284 38 LYS CG C 22.320 0.50 1 298 284 38 LYS CD C 26.267 0.50 1 299 284 38 LYS CE C 39.590 0.50 1 300 284 38 LYS N N 127.940 0.25 1 301 285 39 LEU H H 8.120 0.03 1 302 285 39 LEU HA H 4.635 0.03 1 303 285 39 LEU HB2 H 0.774 0.03 2 304 285 39 LEU HB3 H 0.658 0.03 2 305 285 39 LEU HG H 1.257 0.03 1 306 285 39 LEU HD1 H -0.315 0.03 2 307 285 39 LEU HD2 H 0.627 0.03 2 308 285 39 LEU CA C 50.310 0.50 1 309 285 39 LEU CB C 42.730 0.50 1 310 285 39 LEU CG C 23.900 0.50 1 311 285 39 LEU CD1 C 22.536 0.50 2 312 285 39 LEU CD2 C 20.490 0.50 2 313 285 39 LEU N N 125.000 0.25 1 314 286 40 THR H H 8.280 0.03 1 315 286 40 THR HA H 4.673 0.03 1 316 286 40 THR HB H 4.592 0.03 1 317 286 40 THR HG2 H 1.226 0.03 1 318 286 40 THR CA C 56.870 0.50 1 319 286 40 THR CB C 69.860 0.50 1 320 286 40 THR CG2 C 18.310 0.50 1 321 286 40 THR N N 109.080 0.25 1 322 287 41 LEU H H 8.690 0.03 1 323 287 41 LEU HA H 4.434 0.03 1 324 287 41 LEU HB2 H 1.725 0.03 2 325 287 41 LEU HB3 H 1.725 0.03 2 326 287 41 LEU HG H 1.725 0.03 1 327 287 41 LEU HD1 H 1.010 0.03 2 328 287 41 LEU HD2 H 0.866 0.03 2 329 287 41 LEU CA C 54.010 0.50 1 330 287 41 LEU CB C 38.160 0.50 1 331 287 41 LEU CG C 24.450 0.50 1 332 287 41 LEU CD1 C 22.520 0.50 2 333 287 41 LEU CD2 C 20.030 0.50 2 334 287 41 LEU N N 117.610 0.25 1 335 288 42 LYS H H 7.940 0.03 1 336 288 42 LYS HA H 4.284 0.03 1 337 288 42 LYS HB2 H 1.810 0.03 2 338 288 42 LYS HB3 H 1.600 0.03 2 339 288 42 LYS HG2 H 1.378 0.03 2 340 288 42 LYS HG3 H 1.378 0.03 2 341 288 42 LYS HD2 H 1.644 0.03 2 342 288 42 LYS HD3 H 1.644 0.03 2 343 288 42 LYS HE2 H 2.977 0.03 2 344 288 42 LYS HE3 H 2.907 0.03 2 345 288 42 LYS CA C 53.910 0.50 1 346 288 42 LYS CB C 29.900 0.50 1 347 288 42 LYS CG C 22.350 0.50 1 348 288 42 LYS CD C 26.150 0.50 1 349 288 42 LYS CE C 39.410 0.50 1 350 288 42 LYS N N 116.150 0.25 1 351 289 43 ASN H H 7.770 0.03 1 352 289 43 ASN CA C 50.970 0.50 1 353 289 43 ASN CB C 38.890 0.50 1 354 289 43 ASN N N 117.730 0.25 1 355 290 44 LYS H H 8.450 0.03 1 356 290 44 LYS HA H 4.334 0.03 1 357 290 44 LYS HB2 H 1.679 0.03 2 358 290 44 LYS HB3 H 1.525 0.03 2 359 290 44 LYS HG2 H 1.358 0.03 2 360 290 44 LYS HE2 H 2.860 0.03 2 361 290 44 LYS CA C 52.770 0.50 1 362 290 44 LYS CB C 30.080 0.50 1 363 290 44 LYS CG C 22.120 0.50 1 364 290 44 LYS CD C 26.005 0.50 1 365 290 44 LYS CE C 39.520 0.50 1 366 290 44 LYS N N 118.570 0.25 1 367 291 45 PHE H H 7.540 0.03 1 368 291 45 PHE HA H 5.073 0.03 1 369 291 45 PHE HB2 H 2.768 0.03 2 370 291 45 PHE HB3 H 2.768 0.03 2 371 291 45 PHE CA C 53.030 0.50 1 372 291 45 PHE CB C 38.610 0.50 1 373 291 45 PHE N N 118.620 0.25 1 374 292 46 VAL H H 9.120 0.03 1 375 292 46 VAL HA H 4.412 0.03 1 376 292 46 VAL HB H 1.826 0.03 1 377 292 46 VAL HG1 H 0.389 0.03 2 378 292 46 VAL HG2 H 0.320 0.03 2 379 292 46 VAL CA C 56.600 0.50 1 380 292 46 VAL CB C 32.130 0.50 1 381 292 46 VAL CG1 C 18.230 0.50 2 382 292 46 VAL CG2 C 16.290 0.50 2 383 292 46 VAL N N 116.050 0.25 1 384 293 47 GLU H H 8.310 0.03 1 385 293 47 GLU HA H 4.774 0.03 1 386 293 47 GLU HB2 H 1.854 0.03 2 387 293 47 GLU HB3 H 1.854 0.03 2 388 293 47 GLU HG2 H 2.004 0.03 2 389 293 47 GLU HG3 H 2.004 0.03 2 390 293 47 GLU CA C 52.600 0.50 1 391 293 47 GLU CB C 28.670 0.50 1 392 293 47 GLU CG C 33.770 0.50 1 393 293 47 GLU N N 122.540 0.25 1 394 294 48 PHE H H 9.350 0.03 1 395 294 48 PHE HA H 4.782 0.03 1 396 294 48 PHE HB2 H 3.102 0.03 2 397 294 48 PHE HB3 H 2.932 0.03 2 398 294 48 PHE CA C 54.490 0.50 1 399 294 48 PHE CB C 39.020 0.50 1 400 294 48 PHE N N 126.600 0.25 1 401 295 49 ASP H H 9.000 0.03 1 402 295 49 ASP HA H 4.088 0.03 1 403 295 49 ASP HB2 H 2.818 0.03 2 404 295 49 ASP HB3 H 1.961 0.03 2 405 295 49 ASP CA C 52.720 0.50 1 406 295 49 ASP CB C 36.520 0.50 1 407 295 49 ASP N N 130.420 0.25 1 408 296 50 MET H H 8.800 0.03 1 409 296 50 MET HA H 4.089 0.03 1 410 296 50 MET HB2 H 2.570 0.03 2 411 296 50 MET HB3 H 2.386 0.03 2 412 296 50 MET HG2 H 2.602 0.03 2 413 296 50 MET HG3 H 2.529 0.03 2 414 296 50 MET HE H 2.080 0.03 1 415 296 50 MET CA C 54.450 0.50 1 416 296 50 MET CB C 27.520 0.50 1 417 296 50 MET CG C 30.466 0.50 1 418 296 50 MET CE C 14.400 0.50 1 419 296 50 MET N N 107.300 0.25 1 420 297 51 LYS H H 7.740 0.03 1 421 297 51 LYS HA H 5.090 0.03 1 422 297 51 LYS HB2 H 2.086 0.03 2 423 297 51 LYS HB3 H 1.929 0.03 2 424 297 51 LYS HG2 H 1.772 0.03 2 425 297 51 LYS HG3 H 1.772 0.03 2 426 297 51 LYS HD2 H 2.032 0.03 2 427 297 51 LYS HD3 H 1.861 0.03 2 428 297 51 LYS HE2 H 3.189 0.03 2 429 297 51 LYS HE3 H 3.189 0.03 2 430 297 51 LYS CA C 50.780 0.50 1 431 297 51 LYS CB C 31.800 0.50 1 432 297 51 LYS CG C 22.290 0.50 1 433 297 51 LYS CD C 26.650 0.50 1 434 297 51 LYS CE C 39.730 0.50 1 435 297 51 LYS N N 117.450 0.25 1 436 298 52 PRO HA H 4.780 0.03 1 437 298 52 PRO HB2 H 1.118 0.03 2 438 298 52 PRO HB3 H 0.929 0.03 2 439 298 52 PRO HG2 H 1.651 0.03 2 440 298 52 PRO HG3 H 0.770 0.03 2 441 298 52 PRO HD2 H 3.723 0.03 2 442 298 52 PRO HD3 H 3.436 0.03 2 443 298 52 PRO CA C 59.299 0.50 1 444 298 52 PRO CB C 29.295 0.50 1 445 298 52 PRO CG C 24.005 0.50 1 446 298 52 PRO CD C 47.300 0.50 1 447 299 53 VAL H H 9.130 0.03 1 448 299 53 VAL HA H 5.195 0.03 1 449 299 53 VAL HB H 1.892 0.03 1 450 299 53 VAL HG1 H 1.152 0.03 2 451 299 53 VAL HG2 H 1.063 0.03 2 452 299 53 VAL CA C 58.200 0.50 1 453 299 53 VAL CB C 32.700 0.50 1 454 299 53 VAL CG1 C 20.110 0.50 2 455 299 53 VAL CG2 C 19.630 0.50 2 456 299 53 VAL N N 123.870 0.25 1 457 300 54 CYS H H 10.100 0.03 1 458 300 54 CYS HA H 4.736 0.03 1 459 300 54 CYS HB2 H 3.515 0.03 2 460 300 54 CYS HB3 H 3.216 0.03 2 461 300 54 CYS CA C 55.630 0.50 1 462 300 54 CYS CB C 29.020 0.50 1 463 300 54 CYS N N 129.600 0.25 1 464 301 55 LYS H H 7.820 0.03 1 465 301 55 LYS HA H 3.525 0.03 1 466 301 55 LYS HB2 H 1.766 0.03 2 467 301 55 LYS HB3 H 1.615 0.03 2 468 301 55 LYS HG2 H 1.285 0.03 2 469 301 55 LYS HG3 H 1.285 0.03 2 470 301 55 LYS HD2 H 1.624 0.03 2 471 301 55 LYS HD3 H 1.624 0.03 2 472 301 55 LYS HE2 H 2.760 0.03 2 473 301 55 LYS HE3 H 2.760 0.03 2 474 301 55 LYS CA C 56.860 0.50 1 475 301 55 LYS CB C 30.340 0.50 1 476 301 55 LYS CG C 22.160 0.50 1 477 301 55 LYS CD C 26.860 0.50 1 478 301 55 LYS CE C 39.330 0.50 1 479 301 55 LYS N N 119.920 0.25 1 480 302 56 LYS H H 7.900 0.03 1 481 302 56 LYS HA H 3.942 0.03 1 482 302 56 LYS HB2 H 1.902 0.03 2 483 302 56 LYS HB3 H 1.902 0.03 2 484 302 56 LYS HG2 H 1.373 0.03 2 485 302 56 LYS HG3 H 1.481 0.03 2 486 302 56 LYS HD2 H 1.651 0.03 2 487 302 56 LYS HD3 H 1.651 0.03 2 488 302 56 LYS HE2 H 2.945 0.03 2 489 302 56 LYS HE3 H 2.945 0.03 2 490 302 56 LYS CA C 56.910 0.50 1 491 302 56 LYS CB C 29.680 0.50 1 492 302 56 LYS CG C 22.471 0.50 1 493 302 56 LYS CD C 26.500 0.50 1 494 302 56 LYS CE C 39.380 0.50 1 495 302 56 LYS N N 119.010 0.25 1 496 303 57 CYS H H 8.500 0.03 1 497 303 57 CYS HA H 3.722 0.03 1 498 303 57 CYS HB2 H 2.920 0.03 2 499 303 57 CYS HB3 H 2.583 0.03 2 500 303 57 CYS CA C 62.330 0.50 1 501 303 57 CYS CB C 26.060 0.50 1 502 303 57 CYS N N 121.790 0.25 1 503 304 58 TYR H H 8.510 0.03 1 504 304 58 TYR HA H 2.932 0.03 1 505 304 58 TYR HB2 H 2.625 0.03 2 506 304 58 TYR HB3 H 2.545 0.03 2 507 304 58 TYR CA C 57.120 0.50 1 508 304 58 TYR CB C 34.990 0.50 1 509 304 58 TYR N N 120.500 0.25 1 510 305 59 GLU H H 7.950 0.03 1 511 305 59 GLU HA H 3.686 0.03 1 512 305 59 GLU HB2 H 2.920 0.03 2 513 305 59 GLU HB3 H 2.583 0.03 2 514 305 59 GLU HG2 H 2.436 0.03 2 515 305 59 GLU HG3 H 2.323 0.03 2 516 305 59 GLU CA C 55.800 0.50 1 517 305 59 GLU CB C 26.650 0.50 1 518 305 59 GLU CG C 33.980 0.50 1 519 305 59 GLU N N 116.770 0.25 1 520 306 60 LYS H H 7.090 0.03 1 521 306 60 LYS HA H 4.239 0.03 1 522 306 60 LYS HB2 H 1.959 0.03 2 523 306 60 LYS HB3 H 1.786 0.03 2 524 306 60 LYS HG2 H 1.541 0.03 2 525 306 60 LYS HG3 H 1.376 0.03 2 526 306 60 LYS HD2 H 1.959 0.03 2 527 306 60 LYS HD3 H 1.959 0.03 2 528 306 60 LYS HE2 H 2.941 0.03 2 529 306 60 LYS HE3 H 2.941 0.03 2 530 306 60 LYS CA C 53.290 0.50 1 531 306 60 LYS CB C 30.140 0.50 1 532 306 60 LYS CG C 22.310 0.50 1 533 306 60 LYS CD C 26.590 0.50 1 534 306 60 LYS CE C 39.420 0.50 1 535 306 60 LYS N N 116.200 0.25 1 536 307 61 PHE H H 7.620 0.03 1 537 307 61 PHE HA H 4.723 0.03 1 538 307 61 PHE HB2 H 3.080 0.03 2 539 307 61 PHE HB3 H 2.756 0.03 2 540 307 61 PHE CA C 51.550 0.50 1 541 307 61 PHE CB C 34.090 0.50 1 542 307 61 PHE N N 121.940 0.25 1 543 308 62 PRO HA H 4.459 0.03 1 544 308 62 PRO HB2 H 2.435 0.03 2 545 308 62 PRO HB3 H 1.935 0.03 2 546 308 62 PRO HG2 H 2.062 0.03 2 547 308 62 PRO HG3 H 2.000 0.03 2 548 308 62 PRO HD2 H 3.854 0.03 2 549 308 62 PRO HD3 H 3.336 0.03 2 550 308 62 PRO CA C 59.953 0.50 1 551 308 62 PRO CB C 29.605 0.50 1 552 308 62 PRO CG C 25.130 0.50 1 553 308 62 PRO CD C 47.828 0.50 1 554 309 63 LEU H H 8.650 0.03 1 555 309 63 LEU HA H 3.865 0.03 1 556 309 63 LEU HB2 H 1.729 0.03 2 557 309 63 LEU HB3 H 1.641 0.03 2 558 309 63 LEU HG H 1.625 0.03 1 559 309 63 LEU HD1 H 0.907 0.03 2 560 309 63 LEU HD2 H 0.946 0.03 2 561 309 63 LEU CA C 55.930 0.50 1 562 309 63 LEU CB C 39.170 0.50 1 563 309 63 LEU CG C 24.190 0.50 1 564 309 63 LEU CD1 C 21.730 0.50 2 565 309 63 LEU CD2 C 21.090 0.50 2 566 309 63 LEU N N 124.530 0.25 1 567 310 64 GLU H H 9.060 0.03 1 568 310 64 GLU HA H 3.954 0.03 1 569 310 64 GLU HB2 H 1.986 0.03 2 570 310 64 GLU HB3 H 1.986 0.03 2 571 310 64 GLU HG2 H 2.296 0.03 2 572 310 64 GLU HG3 H 2.296 0.03 2 573 310 64 GLU CA C 56.680 0.50 1 574 310 64 GLU CB C 26.210 0.50 1 575 310 64 GLU CG C 33.430 0.50 1 576 310 64 GLU N N 116.100 0.25 1 577 311 65 LEU H H 7.170 0.03 1 578 311 65 LEU HA H 4.254 0.03 1 579 311 65 LEU HB2 H 1.625 0.03 2 580 311 65 LEU HB3 H 1.527 0.03 2 581 311 65 LEU HG H 1.390 0.03 1 582 311 65 LEU HD1 H 0.413 0.03 2 583 311 65 LEU HD2 H 0.751 0.03 2 584 311 65 LEU CA C 54.340 0.50 1 585 311 65 LEU CB C 39.360 0.50 1 586 311 65 LEU CG C 24.600 0.50 1 587 311 65 LEU CD1 C 21.800 0.50 2 588 311 65 LEU CD2 C 20.700 0.50 2 589 311 65 LEU N N 119.700 0.25 1 590 312 66 LYS H H 8.010 0.03 1 591 312 66 LYS HA H 3.960 0.03 1 592 312 66 LYS HB2 H 1.904 0.03 2 593 312 66 LYS HB3 H 1.858 0.03 2 594 312 66 LYS HG2 H 1.541 0.03 2 595 312 66 LYS HG3 H 1.454 0.03 2 596 312 66 LYS HD2 H 1.419 0.03 2 597 312 66 LYS HD3 H 1.034 0.03 2 598 312 66 LYS HE2 H 2.787 0.03 2 599 312 66 LYS HE3 H 2.643 0.03 2 600 312 66 LYS CA C 57.850 0.50 1 601 312 66 LYS CB C 29.840 0.50 1 602 312 66 LYS CG C 27.210 0.50 1 603 312 66 LYS CD C 23.580 0.50 1 604 312 66 LYS CE C 39.380 0.50 1 605 312 66 LYS N N 118.640 0.25 1 606 313 67 LYS H H 8.200 0.03 1 607 313 67 LYS HA H 4.000 0.03 1 608 313 67 LYS HB2 H 1.840 0.03 2 609 313 67 LYS HB3 H 1.840 0.03 2 610 313 67 LYS HG2 H 1.588 0.03 2 611 313 67 LYS HG3 H 1.376 0.03 2 612 313 67 LYS HD2 H 1.656 0.03 2 613 313 67 LYS HD3 H 1.656 0.03 2 614 313 67 LYS HE2 H 2.948 0.03 2 615 313 67 LYS HE3 H 2.948 0.03 2 616 313 67 LYS CA C 56.450 0.50 1 617 313 67 LYS CB C 29.910 0.50 1 618 313 67 LYS CG C 22.640 0.50 1 619 313 67 LYS CD C 26.880 0.50 1 620 313 67 LYS CE C 39.260 0.50 1 621 313 67 LYS N N 117.390 0.25 1 622 314 68 ARG H H 7.670 0.03 1 623 314 68 ARG HA H 4.234 0.03 1 624 314 68 ARG HB2 H 2.017 0.03 2 625 314 68 ARG HB3 H 2.017 0.03 2 626 314 68 ARG HG2 H 1.683 0.03 2 627 314 68 ARG HG3 H 1.683 0.03 2 628 314 68 ARG HD2 H 3.217 0.03 2 629 314 68 ARG HD3 H 3.217 0.03 2 630 314 68 ARG CA C 55.850 0.50 1 631 314 68 ARG CB C 27.770 0.50 1 632 314 68 ARG CG C 24.630 0.50 1 633 314 68 ARG CD C 41.130 0.50 1 634 314 68 ARG N N 119.670 0.25 1 635 315 69 LEU H H 8.180 0.03 1 636 315 69 LEU HA H 4.224 0.03 1 637 315 69 LEU HB2 H 1.892 0.03 2 638 315 69 LEU HB3 H 1.892 0.03 2 639 315 69 LEU HD1 H 0.925 0.03 2 640 315 69 LEU CA C 54.170 0.50 1 641 315 69 LEU CB C 38.930 0.50 1 642 315 69 LEU CG C 22.850 0.50 1 643 315 69 LEU CD1 C 20.176 0.50 2 644 315 69 LEU N N 119.780 0.25 1 645 316 70 LYS H H 8.000 0.03 1 646 316 70 LYS CA C 55.440 0.50 1 647 316 70 LYS CB C 29.970 0.50 1 648 316 70 LYS N N 120.970 0.25 1 649 317 71 LYS H H 7.960 0.03 1 650 317 71 LYS CA C 54.990 0.50 1 651 317 71 LYS CB C 29.680 0.50 1 652 317 71 LYS N N 120.180 0.25 1 653 318 72 LEU H H 8.080 0.03 1 654 318 72 LEU HA H 4.203 0.03 1 655 318 72 LEU HB2 H 1.728 0.03 2 656 318 72 LEU HB3 H 1.635 0.03 2 657 318 72 LEU HG H 1.683 0.03 1 658 318 72 LEU HD1 H 0.883 0.03 2 659 318 72 LEU HD2 H 0.883 0.03 2 660 318 72 LEU CA C 53.930 0.50 1 661 318 72 LEU CB C 39.370 0.50 1 662 318 72 LEU CG C 24.250 0.50 1 663 318 72 LEU CD1 C 21.170 0.50 2 664 318 72 LEU CD2 C 22.000 0.50 2 665 318 72 LEU N N 121.520 0.25 1 666 319 73 ALA H H 8.020 0.03 1 667 319 73 ALA HA H 4.192 0.03 1 668 319 73 ALA HB H 1.447 0.03 1 669 319 73 ALA CA C 51.010 0.50 1 670 319 73 ALA CB C 15.970 0.50 1 671 319 73 ALA N N 122.400 0.25 1 672 320 74 GLU H H 8.050 0.03 1 673 320 74 GLU HA H 4.215 0.03 1 674 320 74 GLU HB2 H 2.068 0.03 2 675 320 74 GLU HB3 H 2.068 0.03 2 676 320 74 GLU HG2 H 2.378 0.03 2 677 320 74 GLU HG3 H 2.378 0.03 2 678 320 74 GLU CA C 54.770 0.50 1 679 320 74 GLU CB C 27.470 0.50 1 680 320 74 GLU CG C 33.700 0.50 1 681 320 74 GLU N N 118.520 0.25 1 682 321 75 THR H H 8.010 0.03 1 683 321 75 THR HA H 4.239 0.03 1 684 321 75 THR HB H 4.239 0.03 1 685 321 75 THR HG2 H 1.223 0.03 1 686 321 75 THR CA C 60.230 0.50 1 687 321 75 THR CB C 66.990 0.50 1 688 321 75 THR CG2 C 18.892 0.50 1 689 321 75 THR N N 113.770 0.25 1 690 322 76 LEU H H 8.080 0.03 1 691 322 76 LEU HA H 4.285 0.03 1 692 322 76 LEU HB2 H 1.726 0.03 2 693 322 76 LEU HB3 H 1.639 0.03 2 694 322 76 LEU HG H 1.690 0.03 1 695 322 76 LEU HD1 H 0.880 0.03 2 696 322 76 LEU HD2 H 0.840 0.03 2 697 322 76 LEU CA C 52.980 0.50 1 698 322 76 LEU CB C 39.490 0.50 1 699 322 76 LEU CG C 24.130 0.50 1 700 322 76 LEU CD1 C 22.364 0.50 2 701 322 76 LEU CD2 C 20.520 0.50 2 702 322 76 LEU N N 123.460 0.25 1 703 323 77 GLY H H 8.240 0.03 1 704 323 77 GLY HA2 H 4.297 0.03 2 705 323 77 GLY HA3 H 3.924 0.03 2 706 323 77 GLY CA C 42.720 0.50 1 707 323 77 GLY N N 108.770 0.25 1 708 324 78 ARG H H 7.960 0.03 1 709 324 78 ARG HA H 4.524 0.03 1 710 324 78 ARG CA C 53.340 0.50 1 711 324 78 ARG CB C 28.190 0.50 1 712 324 78 ARG CD C 40.740 0.50 1 713 324 78 ARG N N 120.730 0.25 1 714 325 79 LYS H H 7.990 0.03 1 715 325 79 LYS CA C 54.980 0.50 1 716 325 79 LYS CB C 31.030 0.50 1 717 325 79 LYS N N 128.180 0.25 1 stop_ save_