data_34122 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of the C-terminal domain of ParB (Spo0J) ; _BMRB_accession_number 34122 _BMRB_flat_file_name bmr34122.str _Entry_type original _Submission_date 2017-04-11 _Accession_date 2017-12-08 _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 Higman V. A. . 2 Fisher G. L.M. . 3 Dillingham M. S. . 4 Crump M. P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 902 "13C chemical shifts" 642 "15N chemical shifts" 150 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-08-09 update BMRB 'update entry citation' 2017-12-11 original author 'original release' stop_ _Original_release_date 2017-12-08 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The structural basis for dynamic DNA binding and bridging interactions which condense the bacterial centromere. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29244022 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fisher G. L.M. . 2 Pastrana C. L. . 3 Higman V. A. . 4 Koh A. . . 5 Taylor J. A. . 6 Butterer A. . . 7 Craggs T. D. . 8 Sobott F. . . 9 Murray H. . . 10 Crump M. P. . 11 Moreno-Herrero F. . . 12 Dillingham M. S. . stop_ _Journal_abbreviation Elife _Journal_name_full eLife _Journal_volume 6 _Journal_issue . _Journal_ISSN 2050-084X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e28086 _Page_last e28086 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Stage 0 sporulation protein J' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'entity_1, 1' $entity_1 'entity_1, 2' $entity_1 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 8111.201 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 69 _Mol_residue_sequence ; GPGQNVPRETKKKEPVKDAV LKERESYLQNYFGTTVNIKR QKKKGKIEIEFFSNEDLDRI LELLSERES ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 214 GLY 2 215 PRO 3 216 GLY 4 217 GLN 5 218 ASN 6 219 VAL 7 220 PRO 8 221 ARG 9 222 GLU 10 223 THR 11 224 LYS 12 225 LYS 13 226 LYS 14 227 GLU 15 228 PRO 16 229 VAL 17 230 LYS 18 231 ASP 19 232 ALA 20 233 VAL 21 234 LEU 22 235 LYS 23 236 GLU 24 237 ARG 25 238 GLU 26 239 SER 27 240 TYR 28 241 LEU 29 242 GLN 30 243 ASN 31 244 TYR 32 245 PHE 33 246 GLY 34 247 THR 35 248 THR 36 249 VAL 37 250 ASN 38 251 ILE 39 252 LYS 40 253 ARG 41 254 GLN 42 255 LYS 43 256 LYS 44 257 LYS 45 258 GLY 46 259 LYS 47 260 ILE 48 261 GLU 49 262 ILE 50 263 GLU 51 264 PHE 52 265 PHE 53 266 SER 54 267 ASN 55 268 GLU 56 269 ASP 57 270 LEU 58 271 ASP 59 272 ARG 60 273 ILE 61 274 LEU 62 275 GLU 63 276 LEU 64 277 LEU 65 278 SER 66 279 GLU 67 280 ARG 68 281 GLU 69 282 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_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 'Bacillus subtilis' 1423 Bacteria . Bacillus subtilis 'spo0J, BSU40960' 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 . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; 1.5 mM ParB (Spo0J), 1.5 mM [U-13C; U-15N] ParB (Spo0J), 137 mM sodium chloride, 2.7 mM potassium chloride, 10 mM Na2HPO4, 1.8 mM KH2PO4, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.5 mM 'natural abundance' 'sodium chloride' 137 mM 'natural abundance' 'potassium chloride' 2.7 mM 'natural abundance' Na2HPO4 10 mM 'natural abundance' KH2PO4 1.8 mM 'natural abundance' $entity_1 1.5 mM '[U-13C; U-15N]' stop_ save_ save_sample_1 _Saveframe_category sample _Sample_type solution _Details '3 mM ParB (Spo0J), 137 mM sodium chloride, 2.7 mM potassium chloride, 10 mM Na2HPO4, 1.8 mM KH2PO4, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 3 mM 'natural abundance' 'sodium chloride' 137 mM 'natural abundance' 'potassium chloride' 2.7 mM 'natural abundance' Na2HPO4 10 mM 'natural abundance' KH2PO4 1.8 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 3 mM [U-13C; U-15N] ParB (Spo0J), 137 mM sodium chloride, 2.7 mM potassium chloride, 10 mM Na2HPO4, 1.8 mM KH2PO4, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 3 mM '[U-13C; U-15N]' 'sodium chloride' 137 mM 'natural abundance' 'potassium chloride' 2.7 mM 'natural abundance' Na2HPO4 10 mM 'natural abundance' KH2PO4 1.8 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 processing stop_ _Details . save_ save_software_2 _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _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_2 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_13C,15N_F1-filtered,_13C,15N_F3-edited_13C-NOSEY-HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C,15N F1-filtered, 13C,15N F3-edited 13C-NOSEY-HSQC' _Sample_label $sample_3 save_ save_3D_13C,15N_F1-filtered,_13C,15N_F3-edited_15N-NOSEY-HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C,15N F1-filtered, 13C,15N F3-edited 15N-NOSEY-HSQC' _Sample_label $sample_3 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 6.1 . pH pressure 1 . atm temperature 208 . 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 protons' ppm 0.000 external indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 external indirect . . . 0.10132912 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '3D 13C,15N F1-filtered, 13C,15N F3-edited 13C-NOSEY-HSQC' '3D 13C,15N F1-filtered, 13C,15N F3-edited 15N-NOSEY-HSQC' stop_ loop_ _Sample_label $sample_2 $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_1, 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 1 215 2 PRO HA H 4.470 0.007 1 2 215 2 PRO HB2 H 1.984 0.000 2 3 215 2 PRO HB3 H 2.301 0.002 2 4 215 2 PRO HG2 H 2.029 0.000 1 5 215 2 PRO HG3 H 2.029 0.000 1 6 215 2 PRO HD2 H 3.570 0.000 2 7 215 2 PRO HD3 H 3.595 0.000 2 8 215 2 PRO C C 177.449 0.000 1 9 215 2 PRO CA C 63.529 0.120 1 10 215 2 PRO CB C 32.360 0.147 1 11 215 2 PRO CG C 27.092 0.055 1 12 215 2 PRO CD C 49.673 0.036 1 13 216 3 GLY H H 8.567 0.001 1 14 216 3 GLY HA2 H 3.954 0.000 1 15 216 3 GLY HA3 H 3.954 0.000 1 16 216 3 GLY C C 174.074 0.000 1 17 216 3 GLY CA C 45.349 0.012 1 18 216 3 GLY N N 109.785 0.008 1 19 217 4 GLN H H 8.115 0.001 1 20 217 4 GLN HA H 4.358 0.003 1 21 217 4 GLN HB2 H 1.985 0.002 2 22 217 4 GLN HB3 H 2.091 0.002 2 23 217 4 GLN HG2 H 2.328 0.003 2 24 217 4 GLN HG3 H 2.328 0.003 2 25 217 4 GLN HE21 H 6.818 0.001 1 26 217 4 GLN HE22 H 7.482 0.001 1 27 217 4 GLN C C 175.705 0.000 1 28 217 4 GLN CA C 55.885 0.059 1 29 217 4 GLN CB C 29.742 0.106 1 30 217 4 GLN CG C 33.947 0.135 1 31 217 4 GLN CD C 180.587 0.015 1 32 217 4 GLN N N 119.371 0.005 1 33 217 4 GLN NE2 N 111.992 0.215 1 34 218 5 ASN H H 8.498 0.001 1 35 218 5 ASN HA H 4.707 0.004 1 36 218 5 ASN HB2 H 2.726 0.006 2 37 218 5 ASN HB3 H 2.796 0.007 2 38 218 5 ASN HD21 H 6.871 0.002 1 39 218 5 ASN HD22 H 7.527 0.022 1 40 218 5 ASN C C 174.656 0.000 1 41 218 5 ASN CA C 53.355 0.074 1 42 218 5 ASN CB C 38.882 0.027 1 43 218 5 ASN CG C 177.134 0.007 1 44 218 5 ASN N N 120.188 0.010 1 45 218 5 ASN ND2 N 112.955 0.145 1 46 219 6 VAL H H 7.987 0.001 1 47 219 6 VAL HA H 4.410 0.003 1 48 219 6 VAL HB H 2.065 0.001 1 49 219 6 VAL HG1 H 0.911 0.011 2 50 219 6 VAL HG2 H 0.942 0.012 2 51 219 6 VAL CA C 59.870 0.139 1 52 219 6 VAL CB C 32.610 0.059 1 53 219 6 VAL CG1 C 20.391 0.000 1 54 219 6 VAL CG2 C 20.391 0.000 1 55 219 6 VAL N N 121.592 0.016 1 56 220 7 PRO HA H 4.712 0.000 1 57 220 7 PRO HB2 H 2.106 0.000 2 58 220 7 PRO HB3 H 2.379 0.000 2 59 220 7 PRO HG2 H 1.859 0.000 2 60 220 7 PRO HG3 H 1.928 0.000 2 61 220 7 PRO HD2 H 3.545 0.000 1 62 220 7 PRO HD3 H 3.545 0.000 1 63 220 7 PRO C C 176.051 0.000 1 64 220 7 PRO CA C 62.780 0.015 1 65 220 7 PRO CB C 34.487 0.007 1 66 220 7 PRO CG C 24.858 0.000 1 67 220 7 PRO CD C 50.203 0.000 1 68 221 8 ARG H H 8.536 0.002 1 69 221 8 ARG HA H 4.303 0.002 1 70 221 8 ARG HB2 H 1.802 0.000 1 71 221 8 ARG HB3 H 1.802 0.000 1 72 221 8 ARG HG2 H 1.673 0.000 1 73 221 8 ARG HG3 H 1.673 0.000 1 74 221 8 ARG HD2 H 3.209 0.000 1 75 221 8 ARG HD3 H 3.209 0.000 1 76 221 8 ARG C C 176.357 0.000 1 77 221 8 ARG CA C 56.468 0.145 1 78 221 8 ARG CB C 30.930 0.056 1 79 221 8 ARG CG C 27.137 0.000 1 80 221 8 ARG CD C 43.434 0.000 1 81 221 8 ARG N N 121.447 0.022 1 82 222 9 GLU H H 8.444 0.001 1 83 222 9 GLU HA H 4.364 0.000 1 84 222 9 GLU HB2 H 1.950 0.000 2 85 222 9 GLU HB3 H 2.037 0.000 2 86 222 9 GLU HG2 H 2.242 0.000 1 87 222 9 GLU HG3 H 2.242 0.000 1 88 222 9 GLU C C 176.536 0.000 1 89 222 9 GLU CA C 56.497 0.055 1 90 222 9 GLU CB C 30.556 0.064 1 91 222 9 GLU CG C 36.259 0.000 1 92 222 9 GLU N N 122.061 0.005 1 93 223 10 THR H H 8.232 0.001 1 94 223 10 THR HA H 4.316 0.000 1 95 223 10 THR HB H 4.190 0.000 1 96 223 10 THR HG2 H 1.193 0.000 1 97 223 10 THR C C 174.443 0.000 1 98 223 10 THR CA C 61.995 0.055 1 99 223 10 THR CB C 69.854 0.062 1 100 223 10 THR CG2 C 21.818 0.000 1 101 223 10 THR N N 116.334 0.007 1 102 224 11 LYS H H 8.284 0.001 1 103 224 11 LYS HA H 4.331 0.000 1 104 224 11 LYS HB2 H 1.748 0.000 2 105 224 11 LYS HB3 H 1.815 0.000 2 106 224 11 LYS HG2 H 1.426 0.000 1 107 224 11 LYS HG3 H 1.426 0.000 1 108 224 11 LYS HD2 H 1.685 0.000 1 109 224 11 LYS HD3 H 1.685 0.000 1 110 224 11 LYS HE2 H 2.997 0.000 1 111 224 11 LYS HE3 H 2.997 0.000 1 112 224 11 LYS C C 176.303 0.000 1 113 224 11 LYS CA C 56.290 0.055 1 114 224 11 LYS CB C 33.124 0.043 1 115 224 11 LYS CG C 24.662 0.000 1 116 224 11 LYS CD C 28.974 0.000 1 117 224 11 LYS CE C 42.246 0.000 1 118 224 11 LYS N N 124.115 0.021 1 119 225 12 LYS H H 8.300 0.001 1 120 225 12 LYS HA H 4.292 0.000 1 121 225 12 LYS HB2 H 1.738 0.000 2 122 225 12 LYS HB3 H 1.806 0.000 2 123 225 12 LYS HG2 H 1.427 0.000 1 124 225 12 LYS HG3 H 1.427 0.000 1 125 225 12 LYS HD2 H 1.674 0.000 1 126 225 12 LYS HD3 H 1.674 0.000 1 127 225 12 LYS HE2 H 2.999 0.000 1 128 225 12 LYS HE3 H 2.999 0.000 1 129 225 12 LYS C C 176.276 0.000 1 130 225 12 LYS CA C 56.297 0.057 1 131 225 12 LYS CB C 33.148 0.000 1 132 225 12 LYS CG C 24.709 0.000 1 133 225 12 LYS CD C 28.967 0.000 1 134 225 12 LYS CE C 42.265 0.000 1 135 225 12 LYS N N 123.310 0.013 1 136 226 13 LYS H H 8.353 0.005 1 137 226 13 LYS HA H 4.311 0.000 1 138 226 13 LYS HB2 H 1.723 0.000 2 139 226 13 LYS HB3 H 1.796 0.000 2 140 226 13 LYS HG2 H 1.427 0.000 1 141 226 13 LYS HG3 H 1.427 0.000 1 142 226 13 LYS HD2 H 1.723 0.000 1 143 226 13 LYS HD3 H 1.723 0.000 1 144 226 13 LYS HE2 H 2.999 0.000 1 145 226 13 LYS HE3 H 2.999 0.000 1 146 226 13 LYS C C 176.190 0.000 1 147 226 13 LYS CA C 56.184 0.072 1 148 226 13 LYS CB C 33.183 0.015 1 149 226 13 LYS CG C 24.708 0.000 1 150 226 13 LYS CD C 29.029 0.000 1 151 226 13 LYS CE C 42.264 0.000 1 152 226 13 LYS N N 123.509 0.033 1 153 227 14 GLU H H 8.368 0.002 1 154 227 14 GLU HA H 4.582 0.000 1 155 227 14 GLU HB2 H 1.879 0.000 2 156 227 14 GLU HB3 H 2.032 0.000 2 157 227 14 GLU HG2 H 2.287 0.000 2 158 227 14 GLU HG3 H 2.283 0.000 2 159 227 14 GLU CA C 54.447 0.065 1 160 227 14 GLU CB C 29.949 0.000 1 161 227 14 GLU CG C 36.128 0.000 1 162 227 14 GLU N N 124.084 0.018 1 163 228 15 PRO HA H 4.453 0.000 1 164 228 15 PRO HB2 H 1.858 0.000 2 165 228 15 PRO HB3 H 2.266 0.000 2 166 228 15 PRO HG2 H 2.034 0.000 1 167 228 15 PRO HG3 H 2.034 0.000 1 168 228 15 PRO HD2 H 3.697 0.000 2 169 228 15 PRO HD3 H 3.813 0.000 2 170 228 15 PRO C C 176.903 0.000 1 171 228 15 PRO CA C 62.868 0.007 1 172 228 15 PRO CB C 32.169 0.009 1 173 228 15 PRO CG C 27.493 0.000 1 174 228 15 PRO CD C 50.694 0.000 1 175 229 16 VAL H H 8.287 0.002 1 176 229 16 VAL HA H 4.024 0.004 1 177 229 16 VAL HB H 2.033 0.001 1 178 229 16 VAL HG1 H 0.957 0.000 1 179 229 16 VAL HG2 H 0.957 0.000 1 180 229 16 VAL C C 176.408 0.000 1 181 229 16 VAL CA C 62.577 0.063 1 182 229 16 VAL CB C 32.501 0.078 1 183 229 16 VAL CG1 C 21.179 0.000 1 184 229 16 VAL CG2 C 21.179 0.000 1 185 229 16 VAL N N 121.078 0.012 1 186 230 17 LYS H H 8.331 0.008 1 187 230 17 LYS HA H 4.311 0.000 1 188 230 17 LYS HB2 H 1.777 0.000 2 189 230 17 LYS HB3 H 1.899 0.007 2 190 230 17 LYS HG2 H 1.494 0.000 1 191 230 17 LYS HG3 H 1.494 0.000 1 192 230 17 LYS HD2 H 1.710 0.000 1 193 230 17 LYS HD3 H 1.710 0.000 1 194 230 17 LYS HE2 H 3.013 0.000 1 195 230 17 LYS HE3 H 3.013 0.000 1 196 230 17 LYS C C 176.681 0.000 1 197 230 17 LYS CA C 56.487 0.171 1 198 230 17 LYS CB C 33.248 0.107 1 199 230 17 LYS CG C 25.190 0.000 1 200 230 17 LYS N N 125.533 0.047 1 201 231 18 ASP H H 8.446 0.002 1 202 231 18 ASP HA H 4.451 0.000 1 203 231 18 ASP HB2 H 2.692 0.008 2 204 231 18 ASP HB3 H 2.723 0.009 2 205 231 18 ASP C C 177.023 0.000 1 206 231 18 ASP CA C 55.905 0.246 1 207 231 18 ASP CB C 41.123 0.078 1 208 231 18 ASP N N 122.048 0.024 1 209 232 19 ALA H H 8.404 0.003 1 210 232 19 ALA HA H 4.110 0.008 1 211 232 19 ALA HB H 1.465 0.002 1 212 232 19 ALA C C 179.948 0.000 1 213 232 19 ALA CA C 54.963 0.098 1 214 232 19 ALA CB C 18.899 0.048 1 215 232 19 ALA N N 123.247 0.034 1 216 233 20 VAL H H 7.764 0.004 1 217 233 20 VAL HA H 3.872 0.004 1 218 233 20 VAL HB H 2.177 0.000 1 219 233 20 VAL HG1 H 0.902 0.010 2 220 233 20 VAL HG2 H 1.015 0.001 2 221 233 20 VAL C C 178.118 0.000 1 222 233 20 VAL CA C 65.035 0.051 1 223 233 20 VAL CB C 31.709 0.051 1 224 233 20 VAL CG1 C 20.786 0.213 2 225 233 20 VAL CG2 C 21.932 0.194 2 226 233 20 VAL N N 118.231 0.016 1 227 234 21 LEU H H 7.800 0.002 1 228 234 21 LEU HA H 3.955 0.005 1 229 234 21 LEU HB2 H 1.583 0.005 2 230 234 21 LEU HB3 H 1.848 0.007 2 231 234 21 LEU HG H 1.468 0.000 1 232 234 21 LEU HD1 H 0.787 0.005 2 233 234 21 LEU HD2 H 0.876 0.007 2 234 234 21 LEU C C 178.973 0.000 1 235 234 21 LEU CA C 58.103 0.051 1 236 234 21 LEU CB C 41.419 0.087 1 237 234 21 LEU CG C 25.055 0.000 1 238 234 21 LEU CD1 C 23.674 0.078 2 239 234 21 LEU CD2 C 25.094 0.049 2 240 234 21 LEU N N 121.138 0.031 1 241 235 22 LYS H H 8.004 0.006 1 242 235 22 LYS HA H 4.191 0.000 1 243 235 22 LYS HB2 H 1.928 0.014 2 244 235 22 LYS HB3 H 1.929 0.017 2 245 235 22 LYS HG2 H 1.545 0.017 1 246 235 22 LYS HG3 H 1.545 0.017 1 247 235 22 LYS HD2 H 1.722 0.000 1 248 235 22 LYS HD3 H 1.722 0.000 1 249 235 22 LYS HE2 H 3.029 0.000 1 250 235 22 LYS HE3 H 3.029 0.000 1 251 235 22 LYS C C 179.338 0.000 1 252 235 22 LYS CA C 58.781 0.057 1 253 235 22 LYS CB C 31.960 0.070 1 254 235 22 LYS CG C 24.743 0.000 1 255 235 22 LYS CD C 28.598 0.000 1 256 235 22 LYS CE C 42.421 0.000 1 257 235 22 LYS N N 118.124 0.021 1 258 236 23 GLU H H 7.843 0.004 1 259 236 23 GLU HA H 4.185 0.000 1 260 236 23 GLU HB2 H 2.223 0.000 1 261 236 23 GLU HB3 H 2.223 0.000 1 262 236 23 GLU HG2 H 2.456 0.006 2 263 236 23 GLU HG3 H 2.309 0.009 2 264 236 23 GLU C C 179.767 0.000 1 265 236 23 GLU CA C 59.499 0.051 1 266 236 23 GLU CB C 29.282 0.031 1 267 236 23 GLU CG C 36.233 0.073 1 268 236 23 GLU N N 120.631 0.032 1 269 237 24 ARG H H 8.186 0.003 1 270 237 24 ARG HA H 4.212 0.000 1 271 237 24 ARG HB2 H 1.676 0.013 2 272 237 24 ARG HB3 H 1.676 0.013 2 273 237 24 ARG HG2 H 1.760 0.000 2 274 237 24 ARG HG3 H 1.825 0.000 2 275 237 24 ARG HD2 H 2.940 0.006 2 276 237 24 ARG HD3 H 3.072 0.010 2 277 237 24 ARG HE H 7.640 0.006 1 278 237 24 ARG HH11 H 6.679 0.007 1 279 237 24 ARG HH12 H 6.679 0.007 1 280 237 24 ARG C C 178.589 0.000 1 281 237 24 ARG CA C 58.627 0.044 1 282 237 24 ARG CB C 30.311 0.169 1 283 237 24 ARG CG C 26.919 0.000 1 284 237 24 ARG CD C 43.214 0.182 1 285 237 24 ARG N N 119.756 0.023 1 286 237 24 ARG NE N 84.296 0.036 1 287 237 24 ARG NH1 N 72.729 0.038 1 288 238 25 GLU H H 8.684 0.004 1 289 238 25 GLU HA H 3.760 0.008 1 290 238 25 GLU HB2 H 2.241 0.008 2 291 238 25 GLU HB3 H 2.374 0.021 2 292 238 25 GLU HG2 H 2.192 0.012 2 293 238 25 GLU HG3 H 2.445 0.021 2 294 238 25 GLU C C 178.430 0.000 1 295 238 25 GLU CA C 60.992 0.057 1 296 238 25 GLU CB C 30.443 0.060 1 297 238 25 GLU CG C 38.244 0.066 1 298 238 25 GLU N N 120.073 0.023 1 299 239 26 SER H H 8.105 0.005 1 300 239 26 SER HA H 4.296 0.014 1 301 239 26 SER HB2 H 4.086 0.005 2 302 239 26 SER HB3 H 4.086 0.005 2 303 239 26 SER C C 177.014 0.000 1 304 239 26 SER CA C 61.868 0.176 1 305 239 26 SER CB C 62.803 0.110 1 306 239 26 SER N N 114.257 0.045 1 307 240 27 TYR H H 8.117 0.004 1 308 240 27 TYR HA H 4.310 0.015 1 309 240 27 TYR HB2 H 3.184 0.010 2 310 240 27 TYR HB3 H 3.334 0.007 2 311 240 27 TYR HD1 H 7.040 0.005 1 312 240 27 TYR HD2 H 7.040 0.005 1 313 240 27 TYR HE1 H 6.703 0.013 1 314 240 27 TYR HE2 H 6.703 0.013 1 315 240 27 TYR C C 178.516 0.000 1 316 240 27 TYR CA C 61.715 0.094 1 317 240 27 TYR CB C 38.147 0.076 1 318 240 27 TYR CD1 C 133.199 0.037 1 319 240 27 TYR CD2 C 133.199 0.037 1 320 240 27 TYR CE1 C 118.055 0.079 1 321 240 27 TYR CE2 C 118.055 0.079 1 322 240 27 TYR N N 122.581 0.080 1 323 241 28 LEU H H 8.471 0.009 1 324 241 28 LEU HA H 4.045 0.015 1 325 241 28 LEU HB2 H 1.568 0.016 2 326 241 28 LEU HB3 H 2.225 0.015 2 327 241 28 LEU HG H 2.223 0.013 1 328 241 28 LEU HD1 H 0.890 0.010 2 329 241 28 LEU HD2 H 0.999 0.005 2 330 241 28 LEU C C 178.751 0.000 1 331 241 28 LEU CA C 57.796 0.089 1 332 241 28 LEU CB C 42.611 0.097 1 333 241 28 LEU CG C 27.057 0.080 1 334 241 28 LEU CD1 C 26.418 0.088 2 335 241 28 LEU CD2 C 23.650 0.106 2 336 241 28 LEU N N 119.531 0.025 1 337 242 29 GLN H H 8.779 0.011 1 338 242 29 GLN HA H 4.654 0.000 1 339 242 29 GLN HB2 H 2.268 0.006 2 340 242 29 GLN HB3 H 2.430 0.008 2 341 242 29 GLN HG2 H 2.686 0.006 2 342 242 29 GLN HG3 H 2.878 0.010 2 343 242 29 GLN HE21 H 6.881 0.003 1 344 242 29 GLN HE22 H 7.398 0.002 1 345 242 29 GLN C C 179.462 0.000 1 346 242 29 GLN CA C 59.264 0.057 1 347 242 29 GLN CB C 28.118 0.117 1 348 242 29 GLN CG C 34.746 0.072 1 349 242 29 GLN CD C 180.392 0.003 1 350 242 29 GLN N N 120.732 0.032 1 351 242 29 GLN NE2 N 109.974 0.025 1 352 243 30 ASN H H 7.794 0.005 1 353 243 30 ASN HA H 4.487 0.000 1 354 243 30 ASN HB2 H 2.813 0.004 2 355 243 30 ASN HB3 H 2.875 0.007 2 356 243 30 ASN HD21 H 6.927 0.002 1 357 243 30 ASN HD22 H 7.628 0.010 1 358 243 30 ASN C C 176.665 0.000 1 359 243 30 ASN CA C 55.994 0.060 1 360 243 30 ASN CB C 38.721 0.106 1 361 243 30 ASN CG C 176.419 0.012 1 362 243 30 ASN N N 117.823 0.053 1 363 243 30 ASN ND2 N 113.604 0.020 1 364 244 31 TYR H H 8.283 0.004 1 365 244 31 TYR HA H 3.909 0.014 1 366 244 31 TYR HB2 H 2.530 0.023 2 367 244 31 TYR HB3 H 2.552 0.012 2 368 244 31 TYR HD1 H 6.077 0.006 1 369 244 31 TYR HD2 H 6.077 0.006 1 370 244 31 TYR HE1 H 6.429 0.004 1 371 244 31 TYR HE2 H 6.429 0.004 1 372 244 31 TYR C C 177.113 0.000 1 373 244 31 TYR CA C 61.169 0.055 1 374 244 31 TYR CB C 39.257 0.083 1 375 244 31 TYR CD1 C 132.591 0.063 1 376 244 31 TYR CD2 C 132.591 0.063 1 377 244 31 TYR CE1 C 118.135 0.045 1 378 244 31 TYR CE2 C 118.135 0.045 1 379 244 31 TYR N N 121.842 0.030 1 380 245 32 PHE H H 8.543 0.007 1 381 245 32 PHE HA H 4.284 0.006 1 382 245 32 PHE HB2 H 2.819 0.022 2 383 245 32 PHE HB3 H 3.182 0.009 2 384 245 32 PHE HD1 H 7.436 0.010 1 385 245 32 PHE HD2 H 7.436 0.010 1 386 245 32 PHE HE1 H 7.320 0.009 1 387 245 32 PHE HE2 H 7.320 0.009 1 388 245 32 PHE C C 176.362 0.000 1 389 245 32 PHE CA C 59.752 0.043 1 390 245 32 PHE CB C 40.571 0.136 1 391 245 32 PHE CD1 C 131.921 0.084 1 392 245 32 PHE CD2 C 131.921 0.084 1 393 245 32 PHE CE1 C 130.577 0.093 1 394 245 32 PHE CE2 C 130.577 0.093 1 395 245 32 PHE N N 111.584 0.047 1 396 246 33 GLY H H 8.022 0.005 1 397 246 33 GLY HA2 H 3.857 0.000 2 398 246 33 GLY HA3 H 4.039 0.000 2 399 246 33 GLY C C 174.292 0.000 1 400 246 33 GLY CA C 47.378 0.026 1 401 246 33 GLY N N 111.135 0.047 1 402 247 34 THR H H 7.648 0.004 1 403 247 34 THR HA H 4.698 0.001 1 404 247 34 THR HB H 4.019 0.025 1 405 247 34 THR HG2 H 1.136 0.001 1 406 247 34 THR C C 172.091 0.000 1 407 247 34 THR CA C 58.320 0.074 1 408 247 34 THR CB C 69.937 0.137 1 409 247 34 THR CG2 C 19.253 0.062 1 410 247 34 THR N N 110.209 0.027 1 411 248 35 THR H H 7.738 0.003 1 412 248 35 THR HA H 4.072 0.011 1 413 248 35 THR HB H 3.990 0.004 1 414 248 35 THR HG2 H 1.206 0.008 1 415 248 35 THR C C 173.178 0.000 1 416 248 35 THR CA C 64.356 0.080 1 417 248 35 THR CB C 69.739 0.076 1 418 248 35 THR CG2 C 22.701 0.065 1 419 248 35 THR N N 117.367 0.020 1 420 249 36 VAL H H 7.677 0.004 1 421 249 36 VAL HA H 5.183 0.006 1 422 249 36 VAL HB H 1.946 0.007 1 423 249 36 VAL HG1 H 0.865 0.004 2 424 249 36 VAL HG2 H 1.016 0.004 2 425 249 36 VAL C C 174.268 0.000 1 426 249 36 VAL CA C 60.267 0.120 1 427 249 36 VAL CB C 35.693 0.084 1 428 249 36 VAL CG1 C 21.453 0.072 2 429 249 36 VAL CG2 C 21.991 0.051 2 430 249 36 VAL N N 125.682 0.038 1 431 250 37 ASN H H 8.850 0.008 1 432 250 37 ASN HA H 5.308 0.011 1 433 250 37 ASN HB2 H 2.583 0.004 1 434 250 37 ASN HB3 H 2.583 0.004 1 435 250 37 ASN HD21 H 6.888 0.006 1 436 250 37 ASN HD22 H 7.918 0.003 1 437 250 37 ASN C C 174.391 0.000 1 438 250 37 ASN CA C 51.362 0.109 1 439 250 37 ASN CB C 42.862 0.063 1 440 250 37 ASN CG C 175.930 0.004 1 441 250 37 ASN N N 121.682 0.044 1 442 250 37 ASN ND2 N 114.619 0.037 1 443 251 38 ILE H H 10.027 0.014 1 444 251 38 ILE HA H 4.663 0.000 1 445 251 38 ILE HB H 1.857 0.005 1 446 251 38 ILE HG12 H 1.687 0.006 2 447 251 38 ILE HG13 H 1.721 0.000 2 448 251 38 ILE HG2 H 0.841 0.004 1 449 251 38 ILE HD1 H 0.830 0.005 1 450 251 38 ILE C C 174.621 0.000 1 451 251 38 ILE CA C 61.969 0.074 1 452 251 38 ILE CB C 38.014 0.144 1 453 251 38 ILE CG1 C 27.893 0.131 1 454 251 38 ILE CG2 C 18.129 0.109 1 455 251 38 ILE CD1 C 13.623 0.091 1 456 251 38 ILE N N 124.323 0.023 1 457 252 39 LYS H H 8.888 0.005 1 458 252 39 LYS HA H 4.643 0.000 1 459 252 39 LYS HB2 H 1.639 0.011 2 460 252 39 LYS HB3 H 1.737 0.008 2 461 252 39 LYS HG2 H 1.253 0.006 2 462 252 39 LYS HG3 H 1.253 0.006 2 463 252 39 LYS HD2 H 1.479 0.010 2 464 252 39 LYS HD3 H 1.574 0.012 2 465 252 39 LYS HE2 H 2.787 0.018 2 466 252 39 LYS HE3 H 2.850 0.023 2 467 252 39 LYS C C 175.179 0.000 1 468 252 39 LYS CA C 54.560 0.059 1 469 252 39 LYS CB C 34.352 0.057 1 470 252 39 LYS CG C 24.609 0.060 1 471 252 39 LYS CD C 29.239 0.091 1 472 252 39 LYS CE C 42.079 0.111 1 473 252 39 LYS N N 128.142 0.047 1 474 253 40 ARG H H 8.699 0.003 1 475 253 40 ARG HA H 4.709 0.000 1 476 253 40 ARG HB2 H 1.579 0.003 2 477 253 40 ARG HB3 H 1.921 0.006 2 478 253 40 ARG HG2 H 1.575 0.013 1 479 253 40 ARG HG3 H 1.575 0.013 1 480 253 40 ARG HD2 H 3.063 0.004 2 481 253 40 ARG HD3 H 3.233 0.011 2 482 253 40 ARG C C 175.222 0.000 1 483 253 40 ARG CA C 56.001 0.081 1 484 253 40 ARG CB C 33.106 0.104 1 485 253 40 ARG CG C 27.230 0.073 1 486 253 40 ARG CD C 43.845 0.086 1 487 253 40 ARG N N 123.331 0.025 1 488 254 41 GLN H H 8.556 0.005 1 489 254 41 GLN HA H 4.543 0.000 1 490 254 41 GLN HB2 H 1.935 0.007 2 491 254 41 GLN HB3 H 2.118 0.005 2 492 254 41 GLN HG2 H 2.247 0.006 2 493 254 41 GLN HG3 H 2.247 0.006 2 494 254 41 GLN HE21 H 6.731 0.003 1 495 254 41 GLN HE22 H 7.434 0.001 1 496 254 41 GLN C C 175.057 0.000 1 497 254 41 GLN CA C 55.315 0.070 1 498 254 41 GLN CB C 29.930 0.037 1 499 254 41 GLN CG C 34.163 0.129 1 500 254 41 GLN CD C 180.406 0.004 1 501 254 41 GLN N N 124.872 0.027 1 502 254 41 GLN NE2 N 111.393 0.172 1 503 255 42 LYS H H 8.662 0.004 1 504 255 42 LYS HA H 3.954 0.000 1 505 255 42 LYS HB2 H 1.891 0.005 2 506 255 42 LYS HB3 H 2.058 0.013 2 507 255 42 LYS HG2 H 1.451 0.000 1 508 255 42 LYS HG3 H 1.451 0.000 1 509 255 42 LYS HD2 H 1.739 0.017 1 510 255 42 LYS HD3 H 1.739 0.017 1 511 255 42 LYS HE2 H 3.020 0.000 1 512 255 42 LYS HE3 H 3.020 0.000 1 513 255 42 LYS C C 176.537 0.000 1 514 255 42 LYS CA C 59.159 0.063 1 515 255 42 LYS CB C 31.047 0.113 1 516 255 42 LYS CG C 25.410 0.000 1 517 255 42 LYS CD C 29.108 0.009 1 518 255 42 LYS CE C 42.406 0.000 1 519 255 42 LYS N N 121.902 0.022 1 520 256 43 LYS H H 8.358 0.004 1 521 256 43 LYS HA H 4.250 0.014 1 522 256 43 LYS HB2 H 2.003 0.021 2 523 256 43 LYS HB3 H 2.003 0.021 2 524 256 43 LYS HG2 H 1.451 0.010 1 525 256 43 LYS HG3 H 1.451 0.010 1 526 256 43 LYS HD2 H 1.733 0.024 1 527 256 43 LYS HD3 H 1.733 0.024 1 528 256 43 LYS HE2 H 3.033 0.017 1 529 256 43 LYS HE3 H 3.033 0.017 1 530 256 43 LYS C C 174.955 0.000 1 531 256 43 LYS CA C 57.449 0.054 1 532 256 43 LYS CB C 33.011 0.058 1 533 256 43 LYS CG C 25.164 0.105 1 534 256 43 LYS CD C 29.333 0.089 1 535 256 43 LYS CE C 42.264 0.000 1 536 256 43 LYS N N 117.694 0.031 1 537 257 44 LYS H H 7.435 0.002 1 538 257 44 LYS HA H 4.418 0.000 1 539 257 44 LYS HB2 H 1.765 0.017 2 540 257 44 LYS HB3 H 1.820 0.008 2 541 257 44 LYS HG2 H 1.185 0.008 2 542 257 44 LYS HG3 H 1.338 0.007 2 543 257 44 LYS HD2 H 1.643 0.015 1 544 257 44 LYS HD3 H 1.643 0.015 1 545 257 44 LYS HE2 H 2.895 0.000 1 546 257 44 LYS HE3 H 2.895 0.000 1 547 257 44 LYS C C 174.277 0.000 1 548 257 44 LYS CA C 54.823 0.052 1 549 257 44 LYS CB C 34.703 0.099 1 550 257 44 LYS CG C 23.770 0.120 1 551 257 44 LYS CD C 29.636 0.036 1 552 257 44 LYS CE C 42.186 0.000 1 553 257 44 LYS N N 115.637 0.019 1 554 258 45 GLY H H 7.482 0.003 1 555 258 45 GLY HA2 H 3.292 0.008 2 556 258 45 GLY HA3 H 3.878 0.004 2 557 258 45 GLY C C 171.842 0.000 1 558 258 45 GLY CA C 45.086 0.052 1 559 258 45 GLY N N 107.846 0.031 1 560 259 46 LYS H H 8.431 0.004 1 561 259 46 LYS HA H 5.090 0.011 1 562 259 46 LYS HB2 H 1.350 0.006 2 563 259 46 LYS HB3 H 1.578 0.007 2 564 259 46 LYS HG2 H 1.162 0.007 1 565 259 46 LYS HG3 H 1.162 0.007 1 566 259 46 LYS HD2 H 1.430 0.003 1 567 259 46 LYS HD3 H 1.430 0.003 1 568 259 46 LYS HE2 H 2.733 0.015 1 569 259 46 LYS HE3 H 2.733 0.015 1 570 259 46 LYS C C 174.904 0.000 1 571 259 46 LYS CA C 54.859 0.110 1 572 259 46 LYS CB C 35.991 0.076 1 573 259 46 LYS CG C 24.402 0.099 1 574 259 46 LYS CD C 29.815 0.093 1 575 259 46 LYS CE C 41.991 0.085 1 576 259 46 LYS N N 116.976 0.022 1 577 260 47 ILE H H 9.212 0.011 1 578 260 47 ILE HA H 4.570 0.000 1 579 260 47 ILE HB H 1.731 0.000 1 580 260 47 ILE HG12 H 0.837 0.006 2 581 260 47 ILE HG13 H 1.796 0.003 2 582 260 47 ILE HG2 H 0.655 0.007 1 583 260 47 ILE HD1 H 0.622 0.007 1 584 260 47 ILE C C 175.010 0.000 1 585 260 47 ILE CA C 61.087 0.057 1 586 260 47 ILE CB C 40.102 0.083 1 587 260 47 ILE CG1 C 27.983 0.189 1 588 260 47 ILE CG2 C 17.140 0.077 1 589 260 47 ILE CD1 C 14.206 0.070 1 590 260 47 ILE N N 123.080 0.029 1 591 261 48 GLU H H 9.284 0.010 1 592 261 48 GLU HA H 5.281 0.012 1 593 261 48 GLU HB2 H 1.678 0.007 2 594 261 48 GLU HB3 H 2.156 0.007 2 595 261 48 GLU HG2 H 1.907 0.002 2 596 261 48 GLU HG3 H 2.184 0.004 2 597 261 48 GLU C C 175.129 0.000 1 598 261 48 GLU CA C 54.196 0.097 1 599 261 48 GLU CB C 32.642 0.056 1 600 261 48 GLU CG C 36.754 0.121 1 601 261 48 GLU N N 125.509 0.041 1 602 262 49 ILE H H 9.128 0.008 1 603 262 49 ILE HA H 4.475 0.000 1 604 262 49 ILE HB H 1.632 0.014 1 605 262 49 ILE HG12 H 1.354 0.005 2 606 262 49 ILE HG13 H 0.544 0.011 2 607 262 49 ILE HG2 H 0.472 0.012 1 608 262 49 ILE HD1 H 0.203 0.011 1 609 262 49 ILE C C 175.871 0.000 1 610 262 49 ILE CA C 60.614 0.116 1 611 262 49 ILE CB C 40.354 0.073 1 612 262 49 ILE CG1 C 26.945 0.123 1 613 262 49 ILE CG2 C 17.722 0.071 1 614 262 49 ILE CD1 C 13.846 0.033 1 615 262 49 ILE N N 124.193 0.026 1 616 263 50 GLU H H 8.312 0.008 1 617 263 50 GLU HA H 4.499 0.025 1 618 263 50 GLU HB2 H 1.774 0.000 2 619 263 50 GLU HB3 H 1.878 0.000 2 620 263 50 GLU HG2 H 1.782 0.004 2 621 263 50 GLU HG3 H 2.168 0.008 2 622 263 50 GLU C C 175.141 0.000 1 623 263 50 GLU CA C 57.137 0.095 1 624 263 50 GLU CB C 31.766 0.147 1 625 263 50 GLU CG C 37.348 0.180 1 626 263 50 GLU N N 126.368 0.040 1 627 264 51 PHE H H 7.781 0.005 1 628 264 51 PHE HA H 4.947 0.000 1 629 264 51 PHE HB2 H 2.704 0.003 2 630 264 51 PHE HB3 H 3.012 0.017 2 631 264 51 PHE HD1 H 6.928 0.007 1 632 264 51 PHE HD2 H 6.928 0.007 1 633 264 51 PHE HE1 H 6.922 0.007 1 634 264 51 PHE HE2 H 6.922 0.007 1 635 264 51 PHE HZ H 6.772 0.012 1 636 264 51 PHE C C 174.402 0.000 1 637 264 51 PHE CA C 55.693 0.051 1 638 264 51 PHE CB C 41.895 0.079 1 639 264 51 PHE CD1 C 133.066 0.035 1 640 264 51 PHE CD2 C 133.066 0.035 1 641 264 51 PHE CE1 C 131.199 0.176 1 642 264 51 PHE CE2 C 131.199 0.176 1 643 264 51 PHE CZ C 129.021 0.080 1 644 264 51 PHE N N 116.406 0.037 1 645 265 52 PHE H H 9.375 0.006 1 646 265 52 PHE HA H 4.807 0.012 1 647 265 52 PHE HB2 H 2.986 0.012 2 648 265 52 PHE HB3 H 3.453 0.012 2 649 265 52 PHE HD1 H 7.353 0.006 1 650 265 52 PHE HD2 H 7.353 0.006 1 651 265 52 PHE C C 174.497 0.000 1 652 265 52 PHE CA C 58.705 0.039 1 653 265 52 PHE CB C 40.370 0.201 1 654 265 52 PHE CD1 C 131.803 0.066 1 655 265 52 PHE CD2 C 131.803 0.066 1 656 265 52 PHE N N 118.503 0.036 1 657 266 53 SER H H 8.096 0.005 1 658 266 53 SER CA C 57.423 0.070 1 659 266 53 SER CB C 66.080 0.000 1 660 266 53 SER N N 112.575 0.013 1 661 267 54 ASN HA H 4.438 0.003 1 662 267 54 ASN HB2 H 2.825 0.016 2 663 267 54 ASN HB3 H 2.872 0.020 2 664 267 54 ASN HD21 H 7.715 0.003 1 665 267 54 ASN HD22 H 6.991 0.004 1 666 267 54 ASN C C 177.202 0.000 1 667 267 54 ASN CA C 56.389 0.082 1 668 267 54 ASN CB C 37.887 0.173 1 669 267 54 ASN CG C 176.119 0.020 1 670 267 54 ASN ND2 N 112.688 0.051 1 671 268 55 GLU H H 8.851 0.011 1 672 268 55 GLU HA H 4.112 0.002 1 673 268 55 GLU HB2 H 1.990 0.002 2 674 268 55 GLU HB3 H 2.144 0.008 2 675 268 55 GLU HG2 H 2.331 0.002 2 676 268 55 GLU HG3 H 2.508 0.009 2 677 268 55 GLU C C 179.358 0.000 1 678 268 55 GLU CA C 60.461 0.053 1 679 268 55 GLU CB C 28.639 0.026 1 680 268 55 GLU CG C 37.391 0.066 1 681 268 55 GLU N N 120.508 0.041 1 682 269 56 ASP H H 8.111 0.004 1 683 269 56 ASP HA H 4.551 0.012 1 684 269 56 ASP HB2 H 2.917 0.000 2 685 269 56 ASP HB3 H 3.091 0.000 2 686 269 56 ASP C C 177.593 0.000 1 687 269 56 ASP CA C 57.080 0.058 1 688 269 56 ASP CB C 42.713 0.014 1 689 269 56 ASP N N 121.532 0.030 1 690 270 57 LEU H H 7.511 0.005 1 691 270 57 LEU HA H 3.506 0.011 1 692 270 57 LEU HB2 H 0.529 0.007 2 693 270 57 LEU HB3 H 1.726 0.015 2 694 270 57 LEU HG H 1.143 0.008 1 695 270 57 LEU HD1 H 0.044 0.009 2 696 270 57 LEU HD2 H 0.410 0.005 2 697 270 57 LEU C C 177.532 0.000 1 698 270 57 LEU CA C 58.157 0.060 1 699 270 57 LEU CB C 39.782 0.073 1 700 270 57 LEU CG C 26.137 0.039 1 701 270 57 LEU CD1 C 21.950 0.077 2 702 270 57 LEU CD2 C 25.416 0.085 2 703 270 57 LEU N N 119.661 0.028 1 704 271 58 ASP H H 7.936 0.004 1 705 271 58 ASP HA H 4.200 0.003 1 706 271 58 ASP HB2 H 2.627 0.025 2 707 271 58 ASP HB3 H 2.681 0.021 2 708 271 58 ASP C C 178.536 0.000 1 709 271 58 ASP CA C 57.681 0.060 1 710 271 58 ASP CB C 40.233 0.004 1 711 271 58 ASP N N 117.890 0.027 1 712 272 59 ARG H H 7.810 0.005 1 713 272 59 ARG HA H 4.047 0.010 1 714 272 59 ARG HB2 H 1.954 0.004 2 715 272 59 ARG HB3 H 2.326 0.000 2 716 272 59 ARG HG2 H 1.484 0.005 2 717 272 59 ARG HG3 H 1.735 0.009 2 718 272 59 ARG HD2 H 3.209 0.000 2 719 272 59 ARG HD3 H 3.468 0.010 2 720 272 59 ARG HE H 7.415 0.005 1 721 272 59 ARG C C 178.875 0.000 1 722 272 59 ARG CA C 59.481 0.062 1 723 272 59 ARG CB C 30.431 0.064 1 724 272 59 ARG CG C 27.241 0.044 1 725 272 59 ARG CD C 43.195 0.075 1 726 272 59 ARG N N 120.949 0.044 1 727 272 59 ARG NE N 82.594 0.027 1 728 273 60 ILE H H 8.183 0.006 1 729 273 60 ILE HA H 3.719 0.006 1 730 273 60 ILE HB H 1.833 0.013 1 731 273 60 ILE HG12 H 1.028 0.005 1 732 273 60 ILE HG13 H 1.028 0.005 1 733 273 60 ILE HG2 H 0.702 0.010 1 734 273 60 ILE HD1 H 0.795 0.005 1 735 273 60 ILE C C 177.648 0.000 1 736 273 60 ILE CA C 65.852 0.066 1 737 273 60 ILE CB C 38.398 0.089 1 738 273 60 ILE CG1 C 30.001 0.142 1 739 273 60 ILE CG2 C 17.265 0.052 1 740 273 60 ILE CD1 C 14.610 0.082 1 741 273 60 ILE N N 120.781 0.034 1 742 274 61 LEU H H 8.443 0.006 1 743 274 61 LEU HA H 3.948 0.000 1 744 274 61 LEU HB2 H 1.366 0.007 2 745 274 61 LEU HB3 H 1.895 0.013 2 746 274 61 LEU HG H 1.762 0.010 1 747 274 61 LEU HD1 H 0.735 0.005 2 748 274 61 LEU HD2 H 0.730 0.005 2 749 274 61 LEU C C 180.276 0.000 1 750 274 61 LEU CA C 58.054 0.057 1 751 274 61 LEU CB C 40.463 0.059 1 752 274 61 LEU CG C 27.216 0.117 1 753 274 61 LEU CD1 C 23.053 0.082 2 754 274 61 LEU CD2 C 25.332 0.084 2 755 274 61 LEU N N 118.234 0.050 1 756 275 62 GLU H H 8.091 0.004 1 757 275 62 GLU HA H 4.009 0.004 1 758 275 62 GLU HB2 H 2.137 0.000 1 759 275 62 GLU HB3 H 2.137 0.000 1 760 275 62 GLU HG2 H 2.245 0.000 2 761 275 62 GLU HG3 H 2.353 0.000 2 762 275 62 GLU C C 179.163 0.000 1 763 275 62 GLU CA C 59.412 0.070 1 764 275 62 GLU CB C 29.174 0.101 1 765 275 62 GLU CG C 36.178 0.000 1 766 275 62 GLU N N 120.804 0.036 1 767 276 63 LEU H H 7.775 0.008 1 768 276 63 LEU HA H 4.179 0.000 1 769 276 63 LEU HB2 H 1.631 0.008 2 770 276 63 LEU HB3 H 2.156 0.010 2 771 276 63 LEU HG H 1.811 0.002 1 772 276 63 LEU HD1 H 0.675 0.022 2 773 276 63 LEU HD2 H 0.770 0.017 2 774 276 63 LEU C C 179.248 0.000 1 775 276 63 LEU CA C 57.498 0.083 1 776 276 63 LEU CB C 42.244 0.053 1 777 276 63 LEU CG C 26.869 0.075 1 778 276 63 LEU CD1 C 23.244 0.033 2 779 276 63 LEU CD2 C 26.086 0.059 2 780 276 63 LEU N N 120.094 0.048 1 781 277 64 LEU H H 7.794 0.005 1 782 277 64 LEU HA H 4.393 0.011 1 783 277 64 LEU HB2 H 1.456 0.008 2 784 277 64 LEU HB3 H 1.878 0.014 2 785 277 64 LEU HG H 2.088 0.026 1 786 277 64 LEU HD1 H 0.851 0.011 2 787 277 64 LEU HD2 H 1.062 0.006 2 788 277 64 LEU C C 177.220 0.000 1 789 277 64 LEU CA C 55.861 0.065 1 790 277 64 LEU CB C 42.177 0.088 1 791 277 64 LEU CG C 26.529 0.106 1 792 277 64 LEU CD1 C 26.243 0.035 2 793 277 64 LEU CD2 C 23.735 0.046 2 794 277 64 LEU N N 118.013 0.049 1 795 278 65 SER H H 7.679 0.003 1 796 278 65 SER HA H 4.379 0.000 1 797 278 65 SER HB2 H 3.816 0.006 2 798 278 65 SER HB3 H 3.873 0.008 2 799 278 65 SER C C 174.509 0.000 1 800 278 65 SER CA C 59.397 0.043 1 801 278 65 SER CB C 64.257 0.029 1 802 278 65 SER N N 113.607 0.028 1 803 279 66 GLU H H 8.089 0.003 1 804 279 66 GLU HA H 4.248 0.014 1 805 279 66 GLU HB2 H 1.985 0.002 2 806 279 66 GLU HB3 H 2.060 0.001 2 807 279 66 GLU HG2 H 2.288 0.000 2 808 279 66 GLU HG3 H 2.337 0.000 2 809 279 66 GLU C C 176.625 0.000 1 810 279 66 GLU CA C 57.157 0.051 1 811 279 66 GLU CB C 29.826 0.095 1 812 279 66 GLU CG C 36.105 0.000 1 813 279 66 GLU N N 121.689 0.042 1 814 280 67 ARG H H 8.124 0.003 1 815 280 67 ARG HA H 4.370 0.000 1 816 280 67 ARG HB2 H 1.798 0.000 2 817 280 67 ARG HB3 H 1.941 0.000 2 818 280 67 ARG HG2 H 1.676 0.000 2 819 280 67 ARG HG3 H 1.673 0.003 2 820 280 67 ARG HD2 H 3.193 0.001 2 821 280 67 ARG HD3 H 3.192 0.002 2 822 280 67 ARG HE H 7.191 0.004 1 823 280 67 ARG C C 176.241 0.000 1 824 280 67 ARG CA C 56.057 0.112 1 825 280 67 ARG CB C 31.040 0.023 1 826 280 67 ARG CG C 27.100 0.015 1 827 280 67 ARG CD C 43.383 0.054 1 828 280 67 ARG N N 121.340 0.036 1 829 280 67 ARG NE N 84.901 0.006 1 830 281 68 GLU H H 8.301 0.002 1 831 281 68 GLU HA H 4.336 0.002 1 832 281 68 GLU HB2 H 1.967 0.005 2 833 281 68 GLU HB3 H 2.105 0.001 2 834 281 68 GLU HG2 H 2.282 0.000 2 835 281 68 GLU HG3 H 2.310 0.000 2 836 281 68 GLU C C 175.674 0.000 1 837 281 68 GLU CA C 56.761 0.053 1 838 281 68 GLU CB C 30.484 0.075 1 839 281 68 GLU CG C 36.253 0.000 1 840 281 68 GLU N N 122.059 0.016 1 841 282 69 SER H H 7.928 0.002 1 842 282 69 SER HA H 4.256 0.000 1 843 282 69 SER HB2 H 3.842 0.003 2 844 282 69 SER HB3 H 3.842 0.003 2 845 282 69 SER CA C 60.030 0.038 1 846 282 69 SER CB C 64.900 0.049 1 847 282 69 SER N N 122.374 0.014 1 stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '3D 13C,15N F1-filtered, 13C,15N F3-edited 13C-NOSEY-HSQC' '3D 13C,15N F1-filtered, 13C,15N F3-edited 15N-NOSEY-HSQC' stop_ loop_ _Sample_label $sample_2 $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_1, 2' _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 1 215 2 PRO HA H 4.470 0.007 1 2 215 2 PRO HB2 H 1.984 0.000 2 3 215 2 PRO HB3 H 2.301 0.002 2 4 215 2 PRO HG2 H 2.029 0.000 1 5 215 2 PRO HG3 H 2.029 0.000 1 6 215 2 PRO HD2 H 3.570 0.000 2 7 215 2 PRO HD3 H 3.595 0.000 2 8 215 2 PRO C C 177.449 0.000 1 9 215 2 PRO CA C 63.529 0.120 1 10 215 2 PRO CB C 32.360 0.147 1 11 215 2 PRO CG C 27.092 0.055 1 12 215 2 PRO CD C 49.673 0.036 1 13 216 3 GLY H H 8.567 0.001 1 14 216 3 GLY HA2 H 3.954 0.000 1 15 216 3 GLY HA3 H 3.954 0.000 1 16 216 3 GLY C C 174.074 0.000 1 17 216 3 GLY CA C 45.349 0.012 1 18 216 3 GLY N N 109.785 0.008 1 19 217 4 GLN H H 8.115 0.001 1 20 217 4 GLN HA H 4.358 0.003 1 21 217 4 GLN HB2 H 1.985 0.002 2 22 217 4 GLN HB3 H 2.091 0.002 2 23 217 4 GLN HG2 H 2.328 0.003 2 24 217 4 GLN HG3 H 2.328 0.003 2 25 217 4 GLN HE21 H 6.818 0.001 1 26 217 4 GLN HE22 H 7.482 0.001 1 27 217 4 GLN C C 175.705 0.000 1 28 217 4 GLN CA C 55.885 0.059 1 29 217 4 GLN CB C 29.742 0.106 1 30 217 4 GLN CG C 33.947 0.135 1 31 217 4 GLN CD C 180.587 0.015 1 32 217 4 GLN N N 119.371 0.005 1 33 217 4 GLN NE2 N 111.992 0.215 1 34 218 5 ASN H H 8.498 0.001 1 35 218 5 ASN HA H 4.707 0.004 1 36 218 5 ASN HB2 H 2.726 0.006 2 37 218 5 ASN HB3 H 2.796 0.007 2 38 218 5 ASN HD21 H 6.871 0.002 1 39 218 5 ASN HD22 H 7.527 0.022 1 40 218 5 ASN C C 174.656 0.000 1 41 218 5 ASN CA C 53.355 0.074 1 42 218 5 ASN CB C 38.882 0.027 1 43 218 5 ASN CG C 177.134 0.007 1 44 218 5 ASN N N 120.188 0.010 1 45 218 5 ASN ND2 N 112.955 0.145 1 46 219 6 VAL H H 7.987 0.001 1 47 219 6 VAL HA H 4.410 0.003 1 48 219 6 VAL HB H 2.065 0.001 1 49 219 6 VAL HG1 H 0.911 0.011 2 50 219 6 VAL HG2 H 0.942 0.012 2 51 219 6 VAL CA C 59.870 0.139 1 52 219 6 VAL CB C 32.610 0.059 1 53 219 6 VAL CG1 C 20.391 0.000 1 54 219 6 VAL CG2 C 20.391 0.000 1 55 219 6 VAL N N 121.592 0.016 1 56 220 7 PRO HA H 4.712 0.000 1 57 220 7 PRO HB2 H 2.106 0.000 2 58 220 7 PRO HB3 H 2.379 0.000 2 59 220 7 PRO HG2 H 1.859 0.000 2 60 220 7 PRO HG3 H 1.928 0.000 2 61 220 7 PRO HD2 H 3.545 0.000 1 62 220 7 PRO HD3 H 3.545 0.000 1 63 220 7 PRO C C 176.051 0.000 1 64 220 7 PRO CA C 62.780 0.015 1 65 220 7 PRO CB C 34.487 0.007 1 66 220 7 PRO CG C 24.858 0.000 1 67 220 7 PRO CD C 50.203 0.000 1 68 221 8 ARG H H 8.536 0.002 1 69 221 8 ARG HA H 4.303 0.002 1 70 221 8 ARG HB2 H 1.802 0.000 1 71 221 8 ARG HB3 H 1.802 0.000 1 72 221 8 ARG HG2 H 1.673 0.000 1 73 221 8 ARG HG3 H 1.673 0.000 1 74 221 8 ARG HD2 H 3.209 0.000 1 75 221 8 ARG HD3 H 3.209 0.000 1 76 221 8 ARG C C 176.357 0.000 1 77 221 8 ARG CA C 56.468 0.145 1 78 221 8 ARG CB C 30.930 0.056 1 79 221 8 ARG CG C 27.137 0.000 1 80 221 8 ARG CD C 43.434 0.000 1 81 221 8 ARG N N 121.447 0.022 1 82 222 9 GLU H H 8.444 0.001 1 83 222 9 GLU HA H 4.364 0.000 1 84 222 9 GLU HB2 H 1.950 0.000 2 85 222 9 GLU HB3 H 2.037 0.000 2 86 222 9 GLU HG2 H 2.242 0.000 1 87 222 9 GLU HG3 H 2.242 0.000 1 88 222 9 GLU C C 176.536 0.000 1 89 222 9 GLU CA C 56.497 0.055 1 90 222 9 GLU CB C 30.556 0.064 1 91 222 9 GLU CG C 36.259 0.000 1 92 222 9 GLU N N 122.061 0.005 1 93 223 10 THR H H 8.232 0.001 1 94 223 10 THR HA H 4.316 0.000 1 95 223 10 THR HB H 4.190 0.000 1 96 223 10 THR HG2 H 1.193 0.000 1 97 223 10 THR C C 174.443 0.000 1 98 223 10 THR CA C 61.995 0.055 1 99 223 10 THR CB C 69.854 0.062 1 100 223 10 THR CG2 C 21.818 0.000 1 101 223 10 THR N N 116.334 0.007 1 102 224 11 LYS H H 8.284 0.001 1 103 224 11 LYS HA H 4.331 0.000 1 104 224 11 LYS HB2 H 1.748 0.000 2 105 224 11 LYS HB3 H 1.815 0.000 2 106 224 11 LYS HG2 H 1.426 0.000 1 107 224 11 LYS HG3 H 1.426 0.000 1 108 224 11 LYS HD2 H 1.685 0.000 1 109 224 11 LYS HD3 H 1.685 0.000 1 110 224 11 LYS HE2 H 2.997 0.000 1 111 224 11 LYS HE3 H 2.997 0.000 1 112 224 11 LYS C C 176.303 0.000 1 113 224 11 LYS CA C 56.290 0.055 1 114 224 11 LYS CB C 33.124 0.043 1 115 224 11 LYS CG C 24.662 0.000 1 116 224 11 LYS CD C 28.974 0.000 1 117 224 11 LYS CE C 42.246 0.000 1 118 224 11 LYS N N 124.115 0.021 1 119 225 12 LYS H H 8.300 0.001 1 120 225 12 LYS HA H 4.292 0.000 1 121 225 12 LYS HB2 H 1.738 0.000 2 122 225 12 LYS HB3 H 1.806 0.000 2 123 225 12 LYS HG2 H 1.427 0.000 1 124 225 12 LYS HG3 H 1.427 0.000 1 125 225 12 LYS HD2 H 1.674 0.000 1 126 225 12 LYS HD3 H 1.674 0.000 1 127 225 12 LYS HE2 H 2.999 0.000 1 128 225 12 LYS HE3 H 2.999 0.000 1 129 225 12 LYS C C 176.276 0.000 1 130 225 12 LYS CA C 56.297 0.057 1 131 225 12 LYS CB C 33.148 0.000 1 132 225 12 LYS CG C 24.709 0.000 1 133 225 12 LYS CD C 28.967 0.000 1 134 225 12 LYS CE C 42.265 0.000 1 135 225 12 LYS N N 123.310 0.013 1 136 226 13 LYS H H 8.353 0.005 1 137 226 13 LYS HA H 4.311 0.000 1 138 226 13 LYS HB2 H 1.723 0.000 2 139 226 13 LYS HB3 H 1.796 0.000 2 140 226 13 LYS HG2 H 1.427 0.000 1 141 226 13 LYS HG3 H 1.427 0.000 1 142 226 13 LYS HD2 H 1.723 0.000 1 143 226 13 LYS HD3 H 1.723 0.000 1 144 226 13 LYS HE2 H 2.999 0.000 1 145 226 13 LYS HE3 H 2.999 0.000 1 146 226 13 LYS C C 176.190 0.000 1 147 226 13 LYS CA C 56.184 0.072 1 148 226 13 LYS CB C 33.183 0.015 1 149 226 13 LYS CG C 24.708 0.000 1 150 226 13 LYS CD C 29.029 0.000 1 151 226 13 LYS CE C 42.264 0.000 1 152 226 13 LYS N N 123.509 0.033 1 153 227 14 GLU H H 8.368 0.002 1 154 227 14 GLU HA H 4.582 0.000 1 155 227 14 GLU HB2 H 1.879 0.000 2 156 227 14 GLU HB3 H 2.032 0.000 2 157 227 14 GLU HG2 H 2.287 0.000 2 158 227 14 GLU HG3 H 2.283 0.000 2 159 227 14 GLU CA C 54.447 0.065 1 160 227 14 GLU CB C 29.949 0.000 1 161 227 14 GLU CG C 36.128 0.000 1 162 227 14 GLU N N 124.084 0.018 1 163 228 15 PRO HA H 4.453 0.000 1 164 228 15 PRO HB2 H 1.858 0.000 2 165 228 15 PRO HB3 H 2.266 0.000 2 166 228 15 PRO HG2 H 2.034 0.000 1 167 228 15 PRO HG3 H 2.034 0.000 1 168 228 15 PRO HD2 H 3.697 0.000 2 169 228 15 PRO HD3 H 3.813 0.000 2 170 228 15 PRO C C 176.903 0.000 1 171 228 15 PRO CA C 62.868 0.007 1 172 228 15 PRO CB C 32.169 0.009 1 173 228 15 PRO CG C 27.493 0.000 1 174 228 15 PRO CD C 50.694 0.000 1 175 229 16 VAL H H 8.287 0.002 1 176 229 16 VAL HA H 4.024 0.004 1 177 229 16 VAL HB H 2.033 0.001 1 178 229 16 VAL HG1 H 0.957 0.000 1 179 229 16 VAL HG2 H 0.957 0.000 1 180 229 16 VAL C C 176.408 0.000 1 181 229 16 VAL CA C 62.577 0.063 1 182 229 16 VAL CB C 32.501 0.078 1 183 229 16 VAL CG1 C 21.179 0.000 1 184 229 16 VAL CG2 C 21.179 0.000 1 185 229 16 VAL N N 121.078 0.012 1 186 230 17 LYS H H 8.331 0.008 1 187 230 17 LYS HA H 4.311 0.000 1 188 230 17 LYS HB2 H 1.777 0.000 2 189 230 17 LYS HB3 H 1.899 0.007 2 190 230 17 LYS HG2 H 1.494 0.000 1 191 230 17 LYS HG3 H 1.494 0.000 1 192 230 17 LYS HD2 H 1.710 0.000 1 193 230 17 LYS HD3 H 1.710 0.000 1 194 230 17 LYS HE2 H 3.013 0.000 1 195 230 17 LYS HE3 H 3.013 0.000 1 196 230 17 LYS C C 176.681 0.000 1 197 230 17 LYS CA C 56.487 0.171 1 198 230 17 LYS CB C 33.248 0.107 1 199 230 17 LYS CG C 25.190 0.000 1 200 230 17 LYS N N 125.533 0.047 1 201 231 18 ASP H H 8.446 0.002 1 202 231 18 ASP HA H 4.451 0.000 1 203 231 18 ASP HB2 H 2.692 0.008 2 204 231 18 ASP HB3 H 2.723 0.009 2 205 231 18 ASP C C 177.023 0.000 1 206 231 18 ASP CA C 55.905 0.246 1 207 231 18 ASP CB C 41.123 0.078 1 208 231 18 ASP N N 122.048 0.024 1 209 232 19 ALA H H 8.404 0.003 1 210 232 19 ALA HA H 4.110 0.008 1 211 232 19 ALA HB H 1.465 0.002 1 212 232 19 ALA C C 179.948 0.000 1 213 232 19 ALA CA C 54.963 0.098 1 214 232 19 ALA CB C 18.899 0.048 1 215 232 19 ALA N N 123.247 0.034 1 216 233 20 VAL H H 7.764 0.004 1 217 233 20 VAL HA H 3.872 0.004 1 218 233 20 VAL HB H 2.177 0.000 1 219 233 20 VAL HG1 H 0.902 0.010 2 220 233 20 VAL HG2 H 1.015 0.001 2 221 233 20 VAL C C 178.118 0.000 1 222 233 20 VAL CA C 65.035 0.051 1 223 233 20 VAL CB C 31.709 0.051 1 224 233 20 VAL CG1 C 20.786 0.213 2 225 233 20 VAL CG2 C 21.932 0.194 2 226 233 20 VAL N N 118.231 0.016 1 227 234 21 LEU H H 7.800 0.002 1 228 234 21 LEU HA H 3.955 0.005 1 229 234 21 LEU HB2 H 1.583 0.005 2 230 234 21 LEU HB3 H 1.848 0.007 2 231 234 21 LEU HG H 1.468 0.000 1 232 234 21 LEU HD1 H 0.787 0.005 2 233 234 21 LEU HD2 H 0.876 0.007 2 234 234 21 LEU C C 178.973 0.000 1 235 234 21 LEU CA C 58.103 0.051 1 236 234 21 LEU CB C 41.419 0.087 1 237 234 21 LEU CG C 25.055 0.000 1 238 234 21 LEU CD1 C 23.674 0.078 2 239 234 21 LEU CD2 C 25.094 0.049 2 240 234 21 LEU N N 121.138 0.031 1 241 235 22 LYS H H 8.004 0.006 1 242 235 22 LYS HA H 4.191 0.000 1 243 235 22 LYS HB2 H 1.928 0.014 2 244 235 22 LYS HB3 H 1.929 0.017 2 245 235 22 LYS HG2 H 1.545 0.017 1 246 235 22 LYS HG3 H 1.545 0.017 1 247 235 22 LYS HD2 H 1.722 0.000 1 248 235 22 LYS HD3 H 1.722 0.000 1 249 235 22 LYS HE2 H 3.029 0.000 1 250 235 22 LYS HE3 H 3.029 0.000 1 251 235 22 LYS C C 179.338 0.000 1 252 235 22 LYS CA C 58.781 0.057 1 253 235 22 LYS CB C 31.960 0.070 1 254 235 22 LYS CG C 24.743 0.000 1 255 235 22 LYS CD C 28.598 0.000 1 256 235 22 LYS CE C 42.421 0.000 1 257 235 22 LYS N N 118.124 0.021 1 258 236 23 GLU H H 7.843 0.004 1 259 236 23 GLU HA H 4.185 0.000 1 260 236 23 GLU HB2 H 2.223 0.000 1 261 236 23 GLU HB3 H 2.223 0.000 1 262 236 23 GLU HG2 H 2.456 0.006 2 263 236 23 GLU HG3 H 2.309 0.009 2 264 236 23 GLU C C 179.767 0.000 1 265 236 23 GLU CA C 59.499 0.051 1 266 236 23 GLU CB C 29.282 0.031 1 267 236 23 GLU CG C 36.233 0.073 1 268 236 23 GLU N N 120.631 0.032 1 269 237 24 ARG H H 8.186 0.003 1 270 237 24 ARG HA H 4.212 0.000 1 271 237 24 ARG HB2 H 1.676 0.013 2 272 237 24 ARG HB3 H 1.676 0.013 2 273 237 24 ARG HG2 H 1.760 0.000 2 274 237 24 ARG HG3 H 1.825 0.000 2 275 237 24 ARG HD2 H 2.940 0.006 2 276 237 24 ARG HD3 H 3.072 0.010 2 277 237 24 ARG HE H 7.640 0.006 1 278 237 24 ARG HH11 H 6.679 0.007 1 279 237 24 ARG HH12 H 6.679 0.007 1 280 237 24 ARG C C 178.589 0.000 1 281 237 24 ARG CA C 58.627 0.044 1 282 237 24 ARG CB C 30.311 0.169 1 283 237 24 ARG CG C 26.919 0.000 1 284 237 24 ARG CD C 43.214 0.182 1 285 237 24 ARG N N 119.756 0.023 1 286 237 24 ARG NE N 84.296 0.036 1 287 237 24 ARG NH1 N 72.729 0.038 1 288 238 25 GLU H H 8.684 0.004 1 289 238 25 GLU HA H 3.760 0.008 1 290 238 25 GLU HB2 H 2.241 0.008 2 291 238 25 GLU HB3 H 2.374 0.021 2 292 238 25 GLU HG2 H 2.192 0.012 2 293 238 25 GLU HG3 H 2.445 0.021 2 294 238 25 GLU C C 178.430 0.000 1 295 238 25 GLU CA C 60.992 0.057 1 296 238 25 GLU CB C 30.443 0.060 1 297 238 25 GLU CG C 38.244 0.066 1 298 238 25 GLU N N 120.073 0.023 1 299 239 26 SER H H 8.105 0.005 1 300 239 26 SER HA H 4.296 0.014 1 301 239 26 SER HB2 H 4.086 0.005 2 302 239 26 SER HB3 H 4.086 0.005 2 303 239 26 SER C C 177.014 0.000 1 304 239 26 SER CA C 61.868 0.176 1 305 239 26 SER CB C 62.803 0.110 1 306 239 26 SER N N 114.257 0.045 1 307 240 27 TYR H H 8.117 0.004 1 308 240 27 TYR HA H 4.310 0.015 1 309 240 27 TYR HB2 H 3.184 0.010 2 310 240 27 TYR HB3 H 3.334 0.007 2 311 240 27 TYR HD1 H 7.040 0.005 1 312 240 27 TYR HD2 H 7.040 0.005 1 313 240 27 TYR HE1 H 6.703 0.013 1 314 240 27 TYR HE2 H 6.703 0.013 1 315 240 27 TYR C C 178.516 0.000 1 316 240 27 TYR CA C 61.715 0.094 1 317 240 27 TYR CB C 38.147 0.076 1 318 240 27 TYR CD1 C 133.199 0.037 1 319 240 27 TYR CD2 C 133.199 0.037 1 320 240 27 TYR CE1 C 118.055 0.079 1 321 240 27 TYR CE2 C 118.055 0.079 1 322 240 27 TYR N N 122.581 0.080 1 323 241 28 LEU H H 8.471 0.009 1 324 241 28 LEU HA H 4.045 0.015 1 325 241 28 LEU HB2 H 1.568 0.016 2 326 241 28 LEU HB3 H 2.225 0.015 2 327 241 28 LEU HG H 2.223 0.013 1 328 241 28 LEU HD1 H 0.890 0.010 2 329 241 28 LEU HD2 H 0.999 0.005 2 330 241 28 LEU C C 178.751 0.000 1 331 241 28 LEU CA C 57.796 0.089 1 332 241 28 LEU CB C 42.611 0.097 1 333 241 28 LEU CG C 27.057 0.080 1 334 241 28 LEU CD1 C 26.418 0.088 2 335 241 28 LEU CD2 C 23.650 0.106 2 336 241 28 LEU N N 119.531 0.025 1 337 242 29 GLN H H 8.779 0.011 1 338 242 29 GLN HA H 4.654 0.000 1 339 242 29 GLN HB2 H 2.268 0.006 2 340 242 29 GLN HB3 H 2.430 0.008 2 341 242 29 GLN HG2 H 2.686 0.006 2 342 242 29 GLN HG3 H 2.878 0.010 2 343 242 29 GLN HE21 H 6.881 0.003 1 344 242 29 GLN HE22 H 7.398 0.002 1 345 242 29 GLN C C 179.462 0.000 1 346 242 29 GLN CA C 59.264 0.057 1 347 242 29 GLN CB C 28.118 0.117 1 348 242 29 GLN CG C 34.746 0.072 1 349 242 29 GLN CD C 180.392 0.003 1 350 242 29 GLN N N 120.732 0.032 1 351 242 29 GLN NE2 N 109.974 0.025 1 352 243 30 ASN H H 7.794 0.005 1 353 243 30 ASN HA H 4.487 0.000 1 354 243 30 ASN HB2 H 2.813 0.004 2 355 243 30 ASN HB3 H 2.875 0.007 2 356 243 30 ASN HD21 H 6.927 0.002 1 357 243 30 ASN HD22 H 7.628 0.010 1 358 243 30 ASN C C 176.665 0.000 1 359 243 30 ASN CA C 55.994 0.060 1 360 243 30 ASN CB C 38.721 0.106 1 361 243 30 ASN CG C 176.419 0.012 1 362 243 30 ASN N N 117.823 0.053 1 363 243 30 ASN ND2 N 113.604 0.020 1 364 244 31 TYR H H 8.283 0.004 1 365 244 31 TYR HA H 3.909 0.014 1 366 244 31 TYR HB2 H 2.530 0.023 2 367 244 31 TYR HB3 H 2.552 0.012 2 368 244 31 TYR HD1 H 6.077 0.006 1 369 244 31 TYR HD2 H 6.077 0.006 1 370 244 31 TYR HE1 H 6.429 0.004 1 371 244 31 TYR HE2 H 6.429 0.004 1 372 244 31 TYR C C 177.113 0.000 1 373 244 31 TYR CA C 61.169 0.055 1 374 244 31 TYR CB C 39.257 0.083 1 375 244 31 TYR CD1 C 132.591 0.063 1 376 244 31 TYR CD2 C 132.591 0.063 1 377 244 31 TYR CE1 C 118.135 0.045 1 378 244 31 TYR CE2 C 118.135 0.045 1 379 244 31 TYR N N 121.842 0.030 1 380 245 32 PHE H H 8.543 0.007 1 381 245 32 PHE HA H 4.284 0.006 1 382 245 32 PHE HB2 H 2.819 0.022 2 383 245 32 PHE HB3 H 3.182 0.009 2 384 245 32 PHE HD1 H 7.436 0.010 1 385 245 32 PHE HD2 H 7.436 0.010 1 386 245 32 PHE HE1 H 7.320 0.009 1 387 245 32 PHE HE2 H 7.320 0.009 1 388 245 32 PHE C C 176.362 0.000 1 389 245 32 PHE CA C 59.752 0.043 1 390 245 32 PHE CB C 40.571 0.136 1 391 245 32 PHE CD1 C 131.921 0.084 1 392 245 32 PHE CD2 C 131.921 0.084 1 393 245 32 PHE CE1 C 130.577 0.093 1 394 245 32 PHE CE2 C 130.577 0.093 1 395 245 32 PHE N N 111.584 0.047 1 396 246 33 GLY H H 8.022 0.005 1 397 246 33 GLY HA2 H 3.857 0.000 2 398 246 33 GLY HA3 H 4.039 0.000 2 399 246 33 GLY C C 174.292 0.000 1 400 246 33 GLY CA C 47.378 0.026 1 401 246 33 GLY N N 111.135 0.047 1 402 247 34 THR H H 7.648 0.004 1 403 247 34 THR HA H 4.698 0.001 1 404 247 34 THR HB H 4.019 0.025 1 405 247 34 THR HG2 H 1.136 0.001 1 406 247 34 THR C C 172.091 0.000 1 407 247 34 THR CA C 58.320 0.074 1 408 247 34 THR CB C 69.937 0.137 1 409 247 34 THR CG2 C 19.253 0.062 1 410 247 34 THR N N 110.209 0.027 1 411 248 35 THR H H 7.738 0.003 1 412 248 35 THR HA H 4.072 0.011 1 413 248 35 THR HB H 3.990 0.004 1 414 248 35 THR HG2 H 1.206 0.008 1 415 248 35 THR C C 173.178 0.000 1 416 248 35 THR CA C 64.356 0.080 1 417 248 35 THR CB C 69.739 0.076 1 418 248 35 THR CG2 C 22.701 0.065 1 419 248 35 THR N N 117.367 0.020 1 420 249 36 VAL H H 7.677 0.004 1 421 249 36 VAL HA H 5.183 0.006 1 422 249 36 VAL HB H 1.946 0.007 1 423 249 36 VAL HG1 H 0.865 0.004 2 424 249 36 VAL HG2 H 1.016 0.004 2 425 249 36 VAL C C 174.268 0.000 1 426 249 36 VAL CA C 60.267 0.120 1 427 249 36 VAL CB C 35.693 0.084 1 428 249 36 VAL CG1 C 21.453 0.072 2 429 249 36 VAL CG2 C 21.991 0.051 2 430 249 36 VAL N N 125.682 0.038 1 431 250 37 ASN H H 8.850 0.008 1 432 250 37 ASN HA H 5.308 0.011 1 433 250 37 ASN HB2 H 2.583 0.004 1 434 250 37 ASN HB3 H 2.583 0.004 1 435 250 37 ASN HD21 H 6.888 0.006 1 436 250 37 ASN HD22 H 7.918 0.003 1 437 250 37 ASN C C 174.391 0.000 1 438 250 37 ASN CA C 51.362 0.109 1 439 250 37 ASN CB C 42.862 0.063 1 440 250 37 ASN CG C 175.930 0.004 1 441 250 37 ASN N N 121.682 0.044 1 442 250 37 ASN ND2 N 114.619 0.037 1 443 251 38 ILE H H 10.027 0.014 1 444 251 38 ILE HA H 4.663 0.000 1 445 251 38 ILE HB H 1.857 0.005 1 446 251 38 ILE HG12 H 1.687 0.006 2 447 251 38 ILE HG13 H 1.721 0.000 2 448 251 38 ILE HG2 H 0.841 0.004 1 449 251 38 ILE HD1 H 0.830 0.005 1 450 251 38 ILE C C 174.621 0.000 1 451 251 38 ILE CA C 61.969 0.074 1 452 251 38 ILE CB C 38.014 0.144 1 453 251 38 ILE CG1 C 27.893 0.131 1 454 251 38 ILE CG2 C 18.129 0.109 1 455 251 38 ILE CD1 C 13.623 0.091 1 456 251 38 ILE N N 124.323 0.023 1 457 252 39 LYS H H 8.888 0.005 1 458 252 39 LYS HA H 4.643 0.000 1 459 252 39 LYS HB2 H 1.639 0.011 2 460 252 39 LYS HB3 H 1.737 0.008 2 461 252 39 LYS HG2 H 1.253 0.006 2 462 252 39 LYS HG3 H 1.253 0.006 2 463 252 39 LYS HD2 H 1.479 0.010 2 464 252 39 LYS HD3 H 1.574 0.012 2 465 252 39 LYS HE2 H 2.787 0.018 2 466 252 39 LYS HE3 H 2.850 0.023 2 467 252 39 LYS C C 175.179 0.000 1 468 252 39 LYS CA C 54.560 0.059 1 469 252 39 LYS CB C 34.352 0.057 1 470 252 39 LYS CG C 24.609 0.060 1 471 252 39 LYS CD C 29.239 0.091 1 472 252 39 LYS CE C 42.079 0.111 1 473 252 39 LYS N N 128.142 0.047 1 474 253 40 ARG H H 8.699 0.003 1 475 253 40 ARG HA H 4.709 0.000 1 476 253 40 ARG HB2 H 1.579 0.003 2 477 253 40 ARG HB3 H 1.921 0.006 2 478 253 40 ARG HG2 H 1.575 0.013 1 479 253 40 ARG HG3 H 1.575 0.013 1 480 253 40 ARG HD2 H 3.063 0.004 2 481 253 40 ARG HD3 H 3.233 0.011 2 482 253 40 ARG C C 175.222 0.000 1 483 253 40 ARG CA C 56.001 0.081 1 484 253 40 ARG CB C 33.106 0.104 1 485 253 40 ARG CG C 27.230 0.073 1 486 253 40 ARG CD C 43.845 0.086 1 487 253 40 ARG N N 123.331 0.025 1 488 254 41 GLN H H 8.556 0.005 1 489 254 41 GLN HA H 4.543 0.000 1 490 254 41 GLN HB2 H 1.935 0.007 2 491 254 41 GLN HB3 H 2.118 0.005 2 492 254 41 GLN HG2 H 2.247 0.006 2 493 254 41 GLN HG3 H 2.247 0.006 2 494 254 41 GLN HE21 H 6.731 0.003 1 495 254 41 GLN HE22 H 7.434 0.001 1 496 254 41 GLN C C 175.057 0.000 1 497 254 41 GLN CA C 55.315 0.070 1 498 254 41 GLN CB C 29.930 0.037 1 499 254 41 GLN CG C 34.163 0.129 1 500 254 41 GLN CD C 180.406 0.004 1 501 254 41 GLN N N 124.872 0.027 1 502 254 41 GLN NE2 N 111.393 0.172 1 503 255 42 LYS H H 8.662 0.004 1 504 255 42 LYS HA H 3.954 0.000 1 505 255 42 LYS HB2 H 1.891 0.005 2 506 255 42 LYS HB3 H 2.058 0.013 2 507 255 42 LYS HG2 H 1.451 0.000 1 508 255 42 LYS HG3 H 1.451 0.000 1 509 255 42 LYS HD2 H 1.739 0.017 1 510 255 42 LYS HD3 H 1.739 0.017 1 511 255 42 LYS HE2 H 3.020 0.000 1 512 255 42 LYS HE3 H 3.020 0.000 1 513 255 42 LYS C C 176.537 0.000 1 514 255 42 LYS CA C 59.159 0.063 1 515 255 42 LYS CB C 31.047 0.113 1 516 255 42 LYS CG C 25.410 0.000 1 517 255 42 LYS CD C 29.108 0.009 1 518 255 42 LYS CE C 42.406 0.000 1 519 255 42 LYS N N 121.902 0.022 1 520 256 43 LYS H H 8.358 0.004 1 521 256 43 LYS HA H 4.250 0.014 1 522 256 43 LYS HB2 H 2.003 0.021 2 523 256 43 LYS HB3 H 2.003 0.021 2 524 256 43 LYS HG2 H 1.451 0.010 1 525 256 43 LYS HG3 H 1.451 0.010 1 526 256 43 LYS HD2 H 1.733 0.024 1 527 256 43 LYS HD3 H 1.733 0.024 1 528 256 43 LYS HE2 H 3.033 0.017 1 529 256 43 LYS HE3 H 3.033 0.017 1 530 256 43 LYS C C 174.955 0.000 1 531 256 43 LYS CA C 57.449 0.054 1 532 256 43 LYS CB C 33.011 0.058 1 533 256 43 LYS CG C 25.164 0.105 1 534 256 43 LYS CD C 29.333 0.089 1 535 256 43 LYS CE C 42.264 0.000 1 536 256 43 LYS N N 117.694 0.031 1 537 257 44 LYS H H 7.435 0.002 1 538 257 44 LYS HA H 4.418 0.000 1 539 257 44 LYS HB2 H 1.765 0.017 2 540 257 44 LYS HB3 H 1.820 0.008 2 541 257 44 LYS HG2 H 1.185 0.008 2 542 257 44 LYS HG3 H 1.338 0.007 2 543 257 44 LYS HD2 H 1.643 0.015 1 544 257 44 LYS HD3 H 1.643 0.015 1 545 257 44 LYS HE2 H 2.895 0.000 1 546 257 44 LYS HE3 H 2.895 0.000 1 547 257 44 LYS C C 174.277 0.000 1 548 257 44 LYS CA C 54.823 0.052 1 549 257 44 LYS CB C 34.703 0.099 1 550 257 44 LYS CG C 23.770 0.120 1 551 257 44 LYS CD C 29.636 0.036 1 552 257 44 LYS CE C 42.186 0.000 1 553 257 44 LYS N N 115.637 0.019 1 554 258 45 GLY H H 7.482 0.003 1 555 258 45 GLY HA2 H 3.292 0.008 2 556 258 45 GLY HA3 H 3.878 0.004 2 557 258 45 GLY C C 171.842 0.000 1 558 258 45 GLY CA C 45.086 0.052 1 559 258 45 GLY N N 107.846 0.031 1 560 259 46 LYS H H 8.431 0.004 1 561 259 46 LYS HA H 5.090 0.011 1 562 259 46 LYS HB2 H 1.350 0.006 2 563 259 46 LYS HB3 H 1.578 0.007 2 564 259 46 LYS HG2 H 1.162 0.007 1 565 259 46 LYS HG3 H 1.162 0.007 1 566 259 46 LYS HD2 H 1.430 0.003 1 567 259 46 LYS HD3 H 1.430 0.003 1 568 259 46 LYS HE2 H 2.733 0.015 1 569 259 46 LYS HE3 H 2.733 0.015 1 570 259 46 LYS C C 174.904 0.000 1 571 259 46 LYS CA C 54.859 0.110 1 572 259 46 LYS CB C 35.991 0.076 1 573 259 46 LYS CG C 24.402 0.099 1 574 259 46 LYS CD C 29.815 0.093 1 575 259 46 LYS CE C 41.991 0.085 1 576 259 46 LYS N N 116.976 0.022 1 577 260 47 ILE H H 9.212 0.011 1 578 260 47 ILE HA H 4.570 0.000 1 579 260 47 ILE HB H 1.731 0.000 1 580 260 47 ILE HG12 H 0.837 0.006 2 581 260 47 ILE HG13 H 1.796 0.003 2 582 260 47 ILE HG2 H 0.655 0.007 1 583 260 47 ILE HD1 H 0.622 0.007 1 584 260 47 ILE C C 175.010 0.000 1 585 260 47 ILE CA C 61.087 0.057 1 586 260 47 ILE CB C 40.102 0.083 1 587 260 47 ILE CG1 C 27.983 0.189 1 588 260 47 ILE CG2 C 17.140 0.077 1 589 260 47 ILE CD1 C 14.206 0.070 1 590 260 47 ILE N N 123.080 0.029 1 591 261 48 GLU H H 9.284 0.010 1 592 261 48 GLU HA H 5.281 0.012 1 593 261 48 GLU HB2 H 1.678 0.007 2 594 261 48 GLU HB3 H 2.156 0.007 2 595 261 48 GLU HG2 H 1.907 0.002 2 596 261 48 GLU HG3 H 2.184 0.004 2 597 261 48 GLU C C 175.129 0.000 1 598 261 48 GLU CA C 54.196 0.097 1 599 261 48 GLU CB C 32.642 0.056 1 600 261 48 GLU CG C 36.754 0.121 1 601 261 48 GLU N N 125.509 0.041 1 602 262 49 ILE H H 9.128 0.008 1 603 262 49 ILE HA H 4.475 0.000 1 604 262 49 ILE HB H 1.632 0.014 1 605 262 49 ILE HG12 H 1.354 0.005 2 606 262 49 ILE HG13 H 0.544 0.011 2 607 262 49 ILE HG2 H 0.472 0.012 1 608 262 49 ILE HD1 H 0.203 0.011 1 609 262 49 ILE C C 175.871 0.000 1 610 262 49 ILE CA C 60.614 0.116 1 611 262 49 ILE CB C 40.354 0.073 1 612 262 49 ILE CG1 C 26.945 0.123 1 613 262 49 ILE CG2 C 17.722 0.071 1 614 262 49 ILE CD1 C 13.846 0.033 1 615 262 49 ILE N N 124.193 0.026 1 616 263 50 GLU H H 8.312 0.008 1 617 263 50 GLU HA H 4.499 0.025 1 618 263 50 GLU HB2 H 1.774 0.000 2 619 263 50 GLU HB3 H 1.878 0.000 2 620 263 50 GLU HG2 H 1.782 0.004 2 621 263 50 GLU HG3 H 2.168 0.008 2 622 263 50 GLU C C 175.141 0.000 1 623 263 50 GLU CA C 57.137 0.095 1 624 263 50 GLU CB C 31.766 0.147 1 625 263 50 GLU CG C 37.348 0.180 1 626 263 50 GLU N N 126.368 0.040 1 627 264 51 PHE H H 7.781 0.005 1 628 264 51 PHE HA H 4.947 0.000 1 629 264 51 PHE HB2 H 2.704 0.003 2 630 264 51 PHE HB3 H 3.012 0.017 2 631 264 51 PHE HD1 H 6.928 0.007 1 632 264 51 PHE HD2 H 6.928 0.007 1 633 264 51 PHE HE1 H 6.922 0.007 1 634 264 51 PHE HE2 H 6.922 0.007 1 635 264 51 PHE HZ H 6.772 0.012 1 636 264 51 PHE C C 174.402 0.000 1 637 264 51 PHE CA C 55.693 0.051 1 638 264 51 PHE CB C 41.895 0.079 1 639 264 51 PHE CD1 C 133.066 0.035 1 640 264 51 PHE CD2 C 133.066 0.035 1 641 264 51 PHE CE1 C 131.199 0.176 1 642 264 51 PHE CE2 C 131.199 0.176 1 643 264 51 PHE CZ C 129.021 0.080 1 644 264 51 PHE N N 116.406 0.037 1 645 265 52 PHE H H 9.375 0.006 1 646 265 52 PHE HA H 4.807 0.012 1 647 265 52 PHE HB2 H 2.986 0.012 2 648 265 52 PHE HB3 H 3.453 0.012 2 649 265 52 PHE HD1 H 7.353 0.006 1 650 265 52 PHE HD2 H 7.353 0.006 1 651 265 52 PHE C C 174.497 0.000 1 652 265 52 PHE CA C 58.705 0.039 1 653 265 52 PHE CB C 40.370 0.201 1 654 265 52 PHE CD1 C 131.803 0.066 1 655 265 52 PHE CD2 C 131.803 0.066 1 656 265 52 PHE N N 118.503 0.036 1 657 266 53 SER H H 8.096 0.005 1 658 266 53 SER CA C 57.423 0.070 1 659 266 53 SER CB C 66.080 0.000 1 660 266 53 SER N N 112.575 0.013 1 661 267 54 ASN HA H 4.438 0.003 1 662 267 54 ASN HB2 H 2.825 0.016 2 663 267 54 ASN HB3 H 2.872 0.020 2 664 267 54 ASN HD21 H 7.715 0.003 1 665 267 54 ASN HD22 H 6.991 0.004 1 666 267 54 ASN C C 177.202 0.000 1 667 267 54 ASN CA C 56.389 0.082 1 668 267 54 ASN CB C 37.887 0.173 1 669 267 54 ASN CG C 176.119 0.020 1 670 267 54 ASN ND2 N 112.688 0.051 1 671 268 55 GLU H H 8.851 0.011 1 672 268 55 GLU HA H 4.112 0.002 1 673 268 55 GLU HB2 H 1.990 0.002 2 674 268 55 GLU HB3 H 2.144 0.008 2 675 268 55 GLU HG2 H 2.331 0.002 2 676 268 55 GLU HG3 H 2.508 0.009 2 677 268 55 GLU C C 179.358 0.000 1 678 268 55 GLU CA C 60.461 0.053 1 679 268 55 GLU CB C 28.639 0.026 1 680 268 55 GLU CG C 37.391 0.066 1 681 268 55 GLU N N 120.508 0.041 1 682 269 56 ASP H H 8.111 0.004 1 683 269 56 ASP HA H 4.551 0.012 1 684 269 56 ASP HB2 H 2.917 0.000 2 685 269 56 ASP HB3 H 3.091 0.000 2 686 269 56 ASP C C 177.593 0.000 1 687 269 56 ASP CA C 57.080 0.058 1 688 269 56 ASP CB C 42.713 0.014 1 689 269 56 ASP N N 121.532 0.030 1 690 270 57 LEU H H 7.511 0.005 1 691 270 57 LEU HA H 3.506 0.011 1 692 270 57 LEU HB2 H 0.529 0.007 2 693 270 57 LEU HB3 H 1.726 0.015 2 694 270 57 LEU HG H 1.143 0.008 1 695 270 57 LEU HD1 H 0.044 0.009 2 696 270 57 LEU HD2 H 0.410 0.005 2 697 270 57 LEU C C 177.532 0.000 1 698 270 57 LEU CA C 58.157 0.060 1 699 270 57 LEU CB C 39.782 0.073 1 700 270 57 LEU CG C 26.137 0.039 1 701 270 57 LEU CD1 C 21.950 0.077 2 702 270 57 LEU CD2 C 25.416 0.085 2 703 270 57 LEU N N 119.661 0.028 1 704 271 58 ASP H H 7.936 0.004 1 705 271 58 ASP HA H 4.200 0.003 1 706 271 58 ASP HB2 H 2.627 0.025 2 707 271 58 ASP HB3 H 2.681 0.021 2 708 271 58 ASP C C 178.536 0.000 1 709 271 58 ASP CA C 57.681 0.060 1 710 271 58 ASP CB C 40.233 0.004 1 711 271 58 ASP N N 117.890 0.027 1 712 272 59 ARG H H 7.810 0.005 1 713 272 59 ARG HA H 4.047 0.010 1 714 272 59 ARG HB2 H 1.954 0.004 2 715 272 59 ARG HB3 H 2.326 0.000 2 716 272 59 ARG HG2 H 1.484 0.005 2 717 272 59 ARG HG3 H 1.735 0.009 2 718 272 59 ARG HD2 H 3.209 0.000 2 719 272 59 ARG HD3 H 3.468 0.010 2 720 272 59 ARG HE H 7.415 0.005 1 721 272 59 ARG C C 178.875 0.000 1 722 272 59 ARG CA C 59.481 0.062 1 723 272 59 ARG CB C 30.431 0.064 1 724 272 59 ARG CG C 27.241 0.044 1 725 272 59 ARG CD C 43.195 0.075 1 726 272 59 ARG N N 120.949 0.044 1 727 272 59 ARG NE N 82.594 0.027 1 728 273 60 ILE H H 8.183 0.006 1 729 273 60 ILE HA H 3.719 0.006 1 730 273 60 ILE HB H 1.833 0.013 1 731 273 60 ILE HG12 H 1.028 0.005 1 732 273 60 ILE HG13 H 1.028 0.005 1 733 273 60 ILE HG2 H 0.702 0.010 1 734 273 60 ILE HD1 H 0.795 0.005 1 735 273 60 ILE C C 177.648 0.000 1 736 273 60 ILE CA C 65.852 0.066 1 737 273 60 ILE CB C 38.398 0.089 1 738 273 60 ILE CG1 C 30.001 0.142 1 739 273 60 ILE CG2 C 17.265 0.052 1 740 273 60 ILE CD1 C 14.610 0.082 1 741 273 60 ILE N N 120.781 0.034 1 742 274 61 LEU H H 8.443 0.006 1 743 274 61 LEU HA H 3.948 0.000 1 744 274 61 LEU HB2 H 1.366 0.007 2 745 274 61 LEU HB3 H 1.895 0.013 2 746 274 61 LEU HG H 1.762 0.010 1 747 274 61 LEU HD1 H 0.735 0.005 2 748 274 61 LEU HD2 H 0.730 0.005 2 749 274 61 LEU C C 180.276 0.000 1 750 274 61 LEU CA C 58.054 0.057 1 751 274 61 LEU CB C 40.463 0.059 1 752 274 61 LEU CG C 27.216 0.117 1 753 274 61 LEU CD1 C 23.053 0.082 2 754 274 61 LEU CD2 C 25.332 0.084 2 755 274 61 LEU N N 118.234 0.050 1 756 275 62 GLU H H 8.091 0.004 1 757 275 62 GLU HA H 4.009 0.004 1 758 275 62 GLU HB2 H 2.137 0.000 1 759 275 62 GLU HB3 H 2.137 0.000 1 760 275 62 GLU HG2 H 2.245 0.000 2 761 275 62 GLU HG3 H 2.353 0.000 2 762 275 62 GLU C C 179.163 0.000 1 763 275 62 GLU CA C 59.412 0.070 1 764 275 62 GLU CB C 29.174 0.101 1 765 275 62 GLU CG C 36.178 0.000 1 766 275 62 GLU N N 120.804 0.036 1 767 276 63 LEU H H 7.775 0.008 1 768 276 63 LEU HA H 4.179 0.000 1 769 276 63 LEU HB2 H 1.631 0.008 2 770 276 63 LEU HB3 H 2.156 0.010 2 771 276 63 LEU HG H 1.811 0.002 1 772 276 63 LEU HD1 H 0.675 0.022 2 773 276 63 LEU HD2 H 0.770 0.017 2 774 276 63 LEU C C 179.248 0.000 1 775 276 63 LEU CA C 57.498 0.083 1 776 276 63 LEU CB C 42.244 0.053 1 777 276 63 LEU CG C 26.869 0.075 1 778 276 63 LEU CD1 C 23.244 0.033 2 779 276 63 LEU CD2 C 26.086 0.059 2 780 276 63 LEU N N 120.094 0.048 1 781 277 64 LEU H H 7.794 0.005 1 782 277 64 LEU HA H 4.393 0.011 1 783 277 64 LEU HB2 H 1.456 0.008 2 784 277 64 LEU HB3 H 1.878 0.014 2 785 277 64 LEU HG H 2.088 0.026 1 786 277 64 LEU HD1 H 0.851 0.011 2 787 277 64 LEU HD2 H 1.062 0.006 2 788 277 64 LEU C C 177.220 0.000 1 789 277 64 LEU CA C 55.861 0.065 1 790 277 64 LEU CB C 42.177 0.088 1 791 277 64 LEU CG C 26.529 0.106 1 792 277 64 LEU CD1 C 26.243 0.035 2 793 277 64 LEU CD2 C 23.735 0.046 2 794 277 64 LEU N N 118.013 0.049 1 795 278 65 SER H H 7.679 0.003 1 796 278 65 SER HA H 4.379 0.000 1 797 278 65 SER HB2 H 3.816 0.006 2 798 278 65 SER HB3 H 3.873 0.008 2 799 278 65 SER C C 174.509 0.000 1 800 278 65 SER CA C 59.397 0.043 1 801 278 65 SER CB C 64.257 0.029 1 802 278 65 SER N N 113.607 0.028 1 803 279 66 GLU H H 8.089 0.003 1 804 279 66 GLU HA H 4.248 0.014 1 805 279 66 GLU HB2 H 1.985 0.002 2 806 279 66 GLU HB3 H 2.060 0.001 2 807 279 66 GLU HG2 H 2.288 0.000 2 808 279 66 GLU HG3 H 2.337 0.000 2 809 279 66 GLU C C 176.625 0.000 1 810 279 66 GLU CA C 57.157 0.051 1 811 279 66 GLU CB C 29.826 0.095 1 812 279 66 GLU CG C 36.105 0.000 1 813 279 66 GLU N N 121.689 0.042 1 814 280 67 ARG H H 8.124 0.003 1 815 280 67 ARG HA H 4.370 0.000 1 816 280 67 ARG HB2 H 1.798 0.000 2 817 280 67 ARG HB3 H 1.941 0.000 2 818 280 67 ARG HG2 H 1.676 0.000 2 819 280 67 ARG HG3 H 1.673 0.003 2 820 280 67 ARG HD2 H 3.193 0.001 2 821 280 67 ARG HD3 H 3.192 0.002 2 822 280 67 ARG HE H 7.191 0.004 1 823 280 67 ARG C C 176.241 0.000 1 824 280 67 ARG CA C 56.057 0.112 1 825 280 67 ARG CB C 31.040 0.023 1 826 280 67 ARG CG C 27.100 0.015 1 827 280 67 ARG CD C 43.383 0.054 1 828 280 67 ARG N N 121.340 0.036 1 829 280 67 ARG NE N 84.901 0.006 1 830 281 68 GLU H H 8.301 0.002 1 831 281 68 GLU HA H 4.336 0.002 1 832 281 68 GLU HB2 H 1.967 0.005 2 833 281 68 GLU HB3 H 2.105 0.001 2 834 281 68 GLU HG2 H 2.282 0.000 2 835 281 68 GLU HG3 H 2.310 0.000 2 836 281 68 GLU C C 175.674 0.000 1 837 281 68 GLU CA C 56.761 0.053 1 838 281 68 GLU CB C 30.484 0.075 1 839 281 68 GLU CG C 36.253 0.000 1 840 281 68 GLU N N 122.059 0.016 1 841 282 69 SER H H 7.928 0.002 1 842 282 69 SER HA H 4.256 0.000 1 843 282 69 SER HB2 H 3.842 0.003 2 844 282 69 SER HB3 H 3.842 0.003 2 845 282 69 SER CA C 60.030 0.038 1 846 282 69 SER CB C 64.900 0.049 1 847 282 69 SER N N 122.374 0.014 1 stop_ save_