data_50391 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; DedD ; _BMRB_accession_number 50391 _BMRB_flat_file_name bmr50391.str _Entry_type original _Submission_date 2020-07-16 _Accession_date 2020-07-16 _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 Simorre Jean-pierre J.P.S. . 2 Kenward Calem C.K. . 3 Laguri Cedric C.L. . 4 Caveney Nathanael N.C. . 5 Strynadka Natalie N.S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 697 "13C chemical shifts" 477 "15N chemical shifts" 150 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-11-18 original BMRB . stop_ _Original_release_date 2020-07-16 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; SPOR Proteins Are Required for Functionality of Class A Penicillin-Binding Proteins in Escherichia coli ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 33144379 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pazos Manuel . . 2 Peters Katharina . . 3 Boes Adrien . . 4 Safaei Yalda . . 5 Kenward Calem . . 6 Caveney Nathanael A. . 7 Laguri Cedric . . 8 Breukink Eefjan . . 9 Strynadka Natalie . . 10 Simorre Jean-Pierre P. . 11 Terrak Mohammed . . 12 Vollmer Waldemar . . stop_ _Journal_abbreviation mBio _Journal_name_full mBio _Journal_volume 11 _Journal_issue 6 _Journal_ISSN 2150-7511 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e02796 _Page_last e02796 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name DedD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label DedD $entity_1 stop_ _System_molecular_weight . _System_physical_state native _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 . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 193 _Mol_residue_sequence ; DGQKKHYQDEFAAIPLVPKA GDRDEPDMMPAATQALPTQP PEGAAEEVRAGDAAAPSLDP ATIAANNTEFEPEPAPVAPP KPKPVEPLKPKVEAPPAPKP EPKPVVEEKAAPTGKAYVVQ LGALKNADKVNEIVGKLRGA GYRVYTSPSTPVQGKITRIL VGPDASKEKLKGSLGELKQL SGLSGVVMGYTPN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 28 ASP 2 29 GLY 3 30 GLN 4 31 LYS 5 32 LYS 6 33 HIS 7 34 TYR 8 35 GLN 9 36 ASP 10 37 GLU 11 38 PHE 12 39 ALA 13 40 ALA 14 41 ILE 15 42 PRO 16 43 LEU 17 44 VAL 18 45 PRO 19 46 LYS 20 47 ALA 21 48 GLY 22 49 ASP 23 50 ARG 24 51 ASP 25 52 GLU 26 53 PRO 27 54 ASP 28 55 MET 29 56 MET 30 57 PRO 31 58 ALA 32 59 ALA 33 60 THR 34 61 GLN 35 62 ALA 36 63 LEU 37 64 PRO 38 65 THR 39 66 GLN 40 67 PRO 41 68 PRO 42 69 GLU 43 70 GLY 44 71 ALA 45 72 ALA 46 73 GLU 47 74 GLU 48 75 VAL 49 76 ARG 50 77 ALA 51 78 GLY 52 79 ASP 53 80 ALA 54 81 ALA 55 82 ALA 56 83 PRO 57 84 SER 58 85 LEU 59 86 ASP 60 87 PRO 61 88 ALA 62 89 THR 63 90 ILE 64 91 ALA 65 92 ALA 66 93 ASN 67 94 ASN 68 95 THR 69 96 GLU 70 97 PHE 71 98 GLU 72 99 PRO 73 100 GLU 74 101 PRO 75 102 ALA 76 103 PRO 77 104 VAL 78 105 ALA 79 106 PRO 80 107 PRO 81 108 LYS 82 109 PRO 83 110 LYS 84 111 PRO 85 112 VAL 86 113 GLU 87 114 PRO 88 115 LEU 89 116 LYS 90 117 PRO 91 118 LYS 92 119 VAL 93 120 GLU 94 121 ALA 95 122 PRO 96 123 PRO 97 124 ALA 98 125 PRO 99 126 LYS 100 127 PRO 101 128 GLU 102 129 PRO 103 130 LYS 104 131 PRO 105 132 VAL 106 133 VAL 107 134 GLU 108 135 GLU 109 136 LYS 110 137 ALA 111 138 ALA 112 139 PRO 113 140 THR 114 141 GLY 115 142 LYS 116 143 ALA 117 144 TYR 118 145 VAL 119 146 VAL 120 147 GLN 121 148 LEU 122 149 GLY 123 150 ALA 124 151 LEU 125 152 LYS 126 153 ASN 127 154 ALA 128 155 ASP 129 156 LYS 130 157 VAL 131 158 ASN 132 159 GLU 133 160 ILE 134 161 VAL 135 162 GLY 136 163 LYS 137 164 LEU 138 165 ARG 139 166 GLY 140 167 ALA 141 168 GLY 142 169 TYR 143 170 ARG 144 171 VAL 145 172 TYR 146 173 THR 147 174 SER 148 175 PRO 149 176 SER 150 177 THR 151 178 PRO 152 179 VAL 153 180 GLN 154 181 GLY 155 182 LYS 156 183 ILE 157 184 THR 158 185 ARG 159 186 ILE 160 187 LEU 161 188 VAL 162 189 GLY 163 190 PRO 164 191 ASP 165 192 ALA 166 193 SER 167 194 LYS 168 195 GLU 169 196 LYS 170 197 LEU 171 198 LYS 172 199 GLY 173 200 SER 174 201 LEU 175 202 GLY 176 203 GLU 177 204 LEU 178 205 LYS 179 206 GLN 180 207 LEU 181 208 SER 182 209 GLY 183 210 LEU 184 211 SER 185 212 GLY 186 213 VAL 187 214 VAL 188 215 MET 189 216 GLY 190 217 TYR 191 218 THR 192 219 PRO 193 220 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name _Details $entity_1 'recombinant technology' . Escherichia coli . plasmid dedD 'pETDuet plasmid' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '3mm tube' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.08 mM '[U-99% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CcpNMR _Version 2.2 loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 950 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-13C_NOESY_aliphatic_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 300 . mM pH 7 . pH pressure 1 . atm temperature 298 . 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name DedD _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 28 1 ASP H H 8.339 0 . 2 28 1 ASP HA H 4.587 0 . 3 28 1 ASP HB2 H 2.685 0 . 4 28 1 ASP CA C 54.408 0 . 5 28 1 ASP CB C 41.163 0 . 6 28 1 ASP N N 121.492 0 . 7 29 2 GLY H H 8.380 0 . 8 29 2 GLY HA2 H 3.946 0 . 9 29 2 GLY CA C 45.567 0 . 10 29 2 GLY N N 109.303 0 . 11 30 3 GLN H H 8.193 0 . 12 30 3 GLN HA H 4.306 0 . 13 30 3 GLN HB2 H 2.025 0 . 14 30 3 GLN HB3 H 2.129 0 . 15 30 3 GLN CA C 55.854 0 . 16 30 3 GLN CB C 29.106 0 . 17 30 3 GLN CG C 29.617 0 . 18 30 3 GLN N N 119.601 0 . 19 31 4 LYS H H 8.254 0 . 20 31 4 LYS CA C 56.233 0 . 21 31 4 LYS CB C 32.878 0 . 22 31 4 LYS N N 122.136 0 . 23 33 6 HIS CA C 56.095 0 . 24 33 6 HIS CB C 30.878 0 . 25 34 7 TYR H H 8.104 0 . 26 34 7 TYR HA H 4.520 0 . 27 34 7 TYR HB2 H 2.970 0 . 28 34 7 TYR CA C 57.986 0 . 29 34 7 TYR CB C 38.734 0 . 30 34 7 TYR N N 121.582 0 . 31 35 8 GLN H H 8.317 0 . 32 35 8 GLN HA H 4.231 0 . 33 35 8 GLN HB2 H 2.019 0 . 34 35 8 GLN HB3 H 1.924 0 . 35 35 8 GLN HG2 H 2.019 0 . 36 35 8 GLN CA C 55.817 0 . 37 35 8 GLN CB C 29.588 0 . 38 35 8 GLN CG C 33.657 0 . 39 35 8 GLN N N 121.683 0 . 40 36 9 ASP H H 8.256 0 . 41 36 9 ASP HA H 4.528 0 . 42 36 9 ASP HB2 H 2.619 0 . 43 36 9 ASP CA C 54.368 0 . 44 36 9 ASP CB C 41.010 0 . 45 36 9 ASP N N 121.438 0 . 46 37 10 GLU H H 8.407 0 . 47 37 10 GLU HA H 4.119 0 . 48 37 10 GLU HB2 H 1.806 0 . 49 37 10 GLU CA C 57.114 0 . 50 37 10 GLU CB C 29.965 0 . 51 37 10 GLU CG C 35.390 0 . 52 37 10 GLU N N 121.305 0 . 53 38 11 PHE H H 8.174 0 . 54 38 11 PHE HA H 4.536 0 . 55 38 11 PHE HB2 H 3.196 0 . 56 38 11 PHE HB3 H 2.967 0 . 57 38 11 PHE CA C 57.922 0 . 58 38 11 PHE CB C 39.152 0 . 59 38 11 PHE N N 120.041 0 . 60 39 12 ALA H H 7.904 0 . 61 39 12 ALA HA H 4.374 0 . 62 39 12 ALA HB H 1.337 0 . 63 39 12 ALA CA C 52.256 0 . 64 39 12 ALA CB C 19.274 0 . 65 39 12 ALA N N 124.773 0 . 66 40 13 ALA H H 8.104 0 . 67 40 13 ALA HA H 4.281 0 . 68 40 13 ALA HB H 1.355 0 . 69 40 13 ALA CA C 52.354 0 . 70 40 13 ALA CB C 19.248 0 . 71 40 13 ALA N N 123.075 0 . 72 41 14 ILE H H 8.019 0 . 73 41 14 ILE HA H 4.426 0 . 74 41 14 ILE HB H 1.855 0 . 75 41 14 ILE HG12 H 1.162 0 . 76 41 14 ILE HG2 H 1.519 0 . 77 41 14 ILE HD1 H 0.906 0 . 78 41 14 ILE CA C 58.564 0 . 79 41 14 ILE CB C 38.494 0 . 80 41 14 ILE N N 121.665 0 . 81 42 15 PRO HA H 4.400 0 . 82 42 15 PRO HB2 H 2.274 0 . 83 42 15 PRO HB3 H 1.863 0 . 84 42 15 PRO HG2 H 2.022 0 . 85 42 15 PRO HG3 H 1.618 0 . 86 42 15 PRO HD2 H 3.843 0 . 87 42 15 PRO HD3 H 3.675 0 . 88 42 15 PRO CA C 62.736 0 . 89 42 15 PRO CB C 32.043 0 . 90 42 15 PRO CG C 27.194 0 . 91 42 15 PRO CD C 51.026 0 . 92 43 16 LEU H H 8.288 0 . 93 43 16 LEU HA H 4.324 0 . 94 43 16 LEU HB2 H 1.550 0 . 95 43 16 LEU HB3 H 1.612 0 . 96 43 16 LEU HG H 1.550 0 . 97 43 16 LEU HD2 H 0.899 0 . 98 43 16 LEU CA C 55.045 0 . 99 43 16 LEU CB C 42.400 0 . 100 43 16 LEU CG C 26.888 0 . 101 43 16 LEU CD1 C 23.538 0 . 102 43 16 LEU CD2 C 23.674 0 . 103 43 16 LEU N N 122.929 0 . 104 44 17 VAL H H 8.093 0 . 105 44 17 VAL HB H 2.051 0 . 106 44 17 VAL HG1 H 0.934 0 . 107 44 17 VAL CA C 59.507 0 . 108 44 17 VAL CB C 32.737 0 . 109 44 17 VAL N N 122.732 0 . 110 45 18 PRO HA H 4.710 0 . 111 45 18 PRO HB2 H 2.101 0 . 112 45 18 PRO HB3 H 2.373 0 . 113 45 18 PRO HG2 H 1.828 0 . 114 45 18 PRO CA C 62.528 0 . 115 45 18 PRO CB C 34.539 0 . 116 45 18 PRO CG C 24.577 0 . 117 46 19 LYS H H 8.553 0 . 118 46 19 LYS CA C 56.624 0 . 119 46 19 LYS CB C 33.122 0 . 120 46 19 LYS N N 121.637 0 . 121 47 20 ALA H H 8.498 0 . 122 47 20 ALA HA H 4.288 0 . 123 47 20 ALA HB H 1.377 0 . 124 47 20 ALA CA C 52.409 0 . 125 47 20 ALA CB C 19.174 0 . 126 47 20 ALA N N 126.162 0 . 127 48 21 GLY H H 8.417 0 . 128 48 21 GLY HA2 H 3.959 0 . 129 48 21 GLY CA C 45.244 0 . 130 48 21 GLY N N 108.591 0 . 131 49 22 ASP H H 8.205 0 . 132 49 22 ASP HA H 4.591 0 . 133 49 22 ASP HB2 H 2.646 0 . 134 49 22 ASP HB3 H 2.685 0 . 135 49 22 ASP CA C 54.368 0 . 136 49 22 ASP CB C 41.218 0 . 137 49 22 ASP N N 120.412 0 . 138 50 23 ARG H H 8.243 0 . 139 50 23 ARG HA H 4.354 0 . 140 50 23 ARG HB2 H 1.879 0 . 141 50 23 ARG HG2 H 1.754 0 . 142 50 23 ARG HD2 H 3.197 0 . 143 50 23 ARG CA C 55.646 0 . 144 50 23 ARG CB C 30.926 0 . 145 50 23 ARG CG C 26.836 0 . 146 50 23 ARG CD C 43.548 0 . 147 50 23 ARG N N 120.369 0 . 148 51 24 ASP H H 8.386 0 . 149 51 24 ASP HA H 4.592 0 . 150 51 24 ASP HB2 H 2.684 0 . 151 51 24 ASP HB3 H 2.546 0 . 152 51 24 ASP CA C 54.367 0 . 153 51 24 ASP CB C 41.131 0 . 154 51 24 ASP N N 121.643 0 . 155 52 25 GLU H H 8.206 0 . 156 52 25 GLU CA C 54.197 0 . 157 52 25 GLU CB C 29.918 0 . 158 52 25 GLU N N 121.978 0 . 159 53 26 PRO HA H 4.402 0 . 160 53 26 PRO HB2 H 1.883 0 . 161 53 26 PRO HB3 H 2.277 0 . 162 53 26 PRO HG2 H 2.022 0 . 163 53 26 PRO HD2 H 3.713 0 . 164 53 26 PRO CA C 63.244 0 . 165 53 26 PRO CB C 32.044 0 . 166 53 26 PRO CG C 27.314 0 . 167 53 26 PRO CD C 50.587 0 . 168 54 27 ASP H H 8.414 0 . 169 54 27 ASP HA H 4.532 0 . 170 54 27 ASP HB2 H 2.597 0 . 171 54 27 ASP HB3 H 2.676 0 . 172 54 27 ASP CA C 54.356 0 . 173 54 27 ASP CB C 41.022 0 . 174 54 27 ASP N N 119.736 0 . 175 55 28 MET H H 8.175 0 . 176 55 28 MET HA H 4.474 0 . 177 55 28 MET HB2 H 2.012 0 . 178 55 28 MET CA C 55.033 0 . 179 55 28 MET CB C 32.856 0 . 180 55 28 MET CG C 27.354 0 . 181 55 28 MET N N 120.182 0 . 182 56 29 MET H H 8.355 0 . 183 56 29 MET CA C 53.286 0 . 184 56 29 MET CB C 32.275 0 . 185 56 29 MET N N 122.924 0 . 186 57 30 PRO HA H 4.410 0 . 187 57 30 PRO HB2 H 2.276 0 . 188 57 30 PRO HG2 H 2.020 0 . 189 57 30 PRO HD2 H 3.815 0 . 190 57 30 PRO HD3 H 3.638 0 . 191 57 30 PRO CA C 62.783 0 . 192 57 30 PRO CB C 32.037 0 . 193 57 30 PRO CG C 27.309 0 . 194 57 30 PRO CD C 50.503 0 . 195 58 31 ALA H H 8.370 0 . 196 58 31 ALA HA H 4.389 0 . 197 58 31 ALA HB H 1.588 0 . 198 58 31 ALA CA C 52.309 0 . 199 58 31 ALA CB C 19.166 0 . 200 58 31 ALA N N 124.584 0 . 201 59 32 ALA H H 8.340 0 . 202 59 32 ALA HA H 4.288 0 . 203 59 32 ALA HB H 1.391 0 . 204 59 32 ALA CA C 52.345 0 . 205 59 32 ALA CB C 19.152 0 . 206 59 32 ALA N N 123.227 0 . 207 60 33 THR H H 8.079 0 . 208 60 33 THR HA H 4.250 0 . 209 60 33 THR HB H 3.822 0 . 210 60 33 THR CA C 61.825 0 . 211 60 33 THR CB C 69.725 0 . 212 60 33 THR N N 113.122 0 . 213 61 34 GLN H H 8.277 0 . 214 61 34 GLN HA H 4.293 0 . 215 61 34 GLN CA C 55.489 0 . 216 61 34 GLN CB C 29.569 0 . 217 61 34 GLN N N 122.518 0 . 218 62 35 ALA H H 8.299 0 . 219 62 35 ALA HA H 4.296 0 . 220 62 35 ALA HB H 1.356 0 . 221 62 35 ALA CA C 52.204 0 . 222 62 35 ALA CB C 19.248 0 . 223 62 35 ALA N N 125.544 0 . 224 63 36 LEU H H 8.249 0 . 225 63 36 LEU CA C 52.868 0 . 226 63 36 LEU CB C 41.639 0 . 227 63 36 LEU N N 123.020 0 . 228 64 37 PRO HA H 4.505 0 . 229 64 37 PRO HB2 H 1.955 0 . 230 64 37 PRO HB3 H 2.309 0 . 231 64 37 PRO HG2 H 2.018 0 . 232 64 37 PRO HD2 H 3.676 0 . 233 64 37 PRO HD3 H 3.817 0 . 234 64 37 PRO CA C 63.063 0 . 235 64 37 PRO CB C 32.070 0 . 236 64 37 PRO CG C 27.304 0 . 237 64 37 PRO CD C 50.503 0 . 238 65 38 THR H H 8.175 0 . 239 65 38 THR HA H 4.301 0 . 240 65 38 THR HB H 4.288 0 . 241 65 38 THR HG2 H 1.401 0 . 242 65 38 THR CA C 61.782 0 . 243 65 38 THR CB C 69.783 0 . 244 65 38 THR N N 114.480 0 . 245 66 39 GLN H H 8.312 0 . 246 66 39 GLN CA C 53.304 0 . 247 66 39 GLN CB C 29.014 0 . 248 66 39 GLN N N 123.625 0 . 249 68 41 PRO HA H 4.417 0 . 250 68 41 PRO HB2 H 1.953 0 . 251 68 41 PRO HB3 H 2.289 0 . 252 68 41 PRO HG2 H 2.018 0 . 253 68 41 PRO HD2 H 3.638 0 . 254 68 41 PRO HD3 H 3.818 0 . 255 68 41 PRO CA C 62.832 0 . 256 68 41 PRO CB C 32.045 0 . 257 68 41 PRO CG C 27.309 0 . 258 68 41 PRO CD C 50.492 0 . 259 69 42 GLU H H 8.569 0 . 260 69 42 GLU HA H 4.243 0 . 261 69 42 GLU HB2 H 2.019 0 . 262 69 42 GLU HG2 H 2.276 0 . 263 69 42 GLU CA C 56.536 0 . 264 69 42 GLU CB C 29.969 0 . 265 69 42 GLU CG C 36.047 0 . 266 69 42 GLU N N 120.899 0 . 267 70 43 GLY H H 8.421 0 . 268 70 43 GLY HA2 H 3.945 0 . 269 70 43 GLY CA C 45.244 0 . 270 70 43 GLY N N 110.397 0 . 271 71 44 ALA H H 8.127 0 . 272 71 44 ALA HA H 4.291 0 . 273 71 44 ALA HB H 1.378 0 . 274 71 44 ALA CA C 52.306 0 . 275 71 44 ALA CB C 19.209 0 . 276 71 44 ALA N N 123.922 0 . 277 72 45 ALA H H 8.308 0 . 278 72 45 ALA HA H 4.289 0 . 279 72 45 ALA HB H 1.386 0 . 280 72 45 ALA CA C 52.307 0 . 281 72 45 ALA CB C 19.152 0 . 282 72 45 ALA N N 123.621 0 . 283 73 46 GLU H H 8.365 0 . 284 73 46 GLU HA H 4.252 0 . 285 73 46 GLU HB2 H 2.047 0 . 286 73 46 GLU HB3 H 1.931 0 . 287 73 46 GLU HG2 H 2.252 0 . 288 73 46 GLU CA C 56.672 0 . 289 73 46 GLU CB C 30.303 0 . 290 73 46 GLU CG C 36.174 0 . 291 73 46 GLU N N 119.956 0 . 292 74 47 GLU H H 8.380 0 . 293 74 47 GLU HA H 4.264 0 . 294 74 47 GLU HB2 H 1.945 0 . 295 74 47 GLU HG2 H 2.222 0 . 296 74 47 GLU CA C 56.536 0 . 297 74 47 GLU CB C 30.305 0 . 298 74 47 GLU CG C 36.241 0 . 299 74 47 GLU N N 122.224 0 . 300 75 48 VAL H H 8.218 0 . 301 75 48 VAL HA H 4.059 0 . 302 75 48 VAL HB H 2.031 0 . 303 75 48 VAL HG1 H 0.931 0 . 304 75 48 VAL CA C 62.262 0 . 305 75 48 VAL CB C 32.753 0 . 306 75 48 VAL CG1 C 20.878 0 . 307 75 48 VAL N N 122.361 0 . 308 76 49 ARG H H 8.469 0 . 309 76 49 ARG HA H 4.361 0 . 310 76 49 ARG HB2 H 1.832 0 . 311 76 49 ARG HG2 H 1.624 0 . 312 76 49 ARG HD2 H 3.194 0 . 313 76 49 ARG CA C 55.701 0 . 314 76 49 ARG CB C 30.782 0 . 315 76 49 ARG CG C 27.031 0 . 316 76 49 ARG CD C 43.361 0 . 317 76 49 ARG N N 125.689 0 . 318 77 50 ALA H H 8.410 0 . 319 77 50 ALA HA H 4.288 0 . 320 77 50 ALA HB H 1.391 0 . 321 77 50 ALA CA C 52.409 0 . 322 77 50 ALA CB C 19.152 0 . 323 77 50 ALA N N 125.979 0 . 324 78 51 GLY H H 8.407 0 . 325 78 51 GLY HA2 H 3.956 0 . 326 78 51 GLY CA C 45.245 0 . 327 78 51 GLY N N 108.549 0 . 328 79 52 ASP H H 8.188 0 . 329 79 52 ASP HA H 4.592 0 . 330 79 52 ASP HB2 H 2.697 0 . 331 79 52 ASP HB3 H 2.629 0 . 332 79 52 ASP CA C 54.327 0 . 333 79 52 ASP CB C 41.218 0 . 334 79 52 ASP N N 120.515 0 . 335 80 53 ALA H H 8.203 0 . 336 80 53 ALA HA H 4.274 0 . 337 80 53 ALA HB H 1.376 0 . 338 80 53 ALA CA C 52.397 0 . 339 80 53 ALA CB C 19.134 0 . 340 80 53 ALA N N 124.124 0 . 341 81 54 ALA H H 8.171 0 . 342 81 54 ALA HA H 4.273 0 . 343 81 54 ALA HB H 1.352 0 . 344 81 54 ALA CA C 51.989 0 . 345 81 54 ALA CB C 19.199 0 . 346 81 54 ALA N N 122.921 0 . 347 82 55 ALA H H 8.154 0 . 348 82 55 ALA CA C 50.385 0 . 349 82 55 ALA CB C 18.057 0 . 350 82 55 ALA N N 124.669 0 . 351 83 56 PRO HA H 4.419 0 . 352 83 56 PRO HB2 H 1.879 0 . 353 83 56 PRO HB3 H 2.280 0 . 354 83 56 PRO HG2 H 2.018 0 . 355 83 56 PRO HD2 H 3.818 0 . 356 83 56 PRO HD3 H 3.634 0 . 357 83 56 PRO CA C 62.802 0 . 358 83 56 PRO CB C 32.028 0 . 359 83 56 PRO CG C 27.309 0 . 360 83 56 PRO CD C 50.488 0 . 361 84 57 SER H H 8.358 0 . 362 84 57 SER HA H 4.421 0 . 363 84 57 SER HB2 H 3.851 0 . 364 84 57 SER CA C 58.027 0 . 365 84 57 SER CB C 63.679 0 . 366 84 57 SER N N 115.933 0 . 367 85 58 LEU H H 8.244 0 . 368 85 58 LEU HD2 H 0.879 0 . 369 85 58 LEU CA C 54.598 0 . 370 85 58 LEU CB C 42.492 0 . 371 85 58 LEU CG C 26.848 0 . 372 85 58 LEU CD1 C 24.711 0 . 373 85 58 LEU CD2 C 23.623 0 . 374 85 58 LEU N N 124.385 0 . 375 86 59 ASP H H 8.343 0 . 376 86 59 ASP HA H 4.852 0 . 377 86 59 ASP HB2 H 2.782 0 . 378 86 59 ASP HB3 H 2.568 0 . 379 86 59 ASP CA C 52.115 0 . 380 86 59 ASP CB C 41.197 0 . 381 86 59 ASP N N 123.063 0 . 382 87 60 PRO HA H 4.376 0 . 383 87 60 PRO HB2 H 1.877 0 . 384 87 60 PRO HB3 H 2.333 0 . 385 87 60 PRO HG2 H 2.012 0 . 386 87 60 PRO HD2 H 3.691 0 . 387 87 60 PRO HD3 H 3.847 0 . 388 87 60 PRO CA C 63.928 0 . 389 87 60 PRO CB C 32.070 0 . 390 87 60 PRO CG C 27.304 0 . 391 87 60 PRO CD C 50.996 0 . 392 88 61 ALA H H 8.423 0 . 393 88 61 ALA HA H 4.306 0 . 394 88 61 ALA HB H 1.407 0 . 395 88 61 ALA CA C 53.278 0 . 396 88 61 ALA CB C 18.996 0 . 397 88 61 ALA N N 121.946 0 . 398 89 62 THR H H 7.943 0 . 399 89 62 THR HA H 4.234 0 . 400 89 62 THR HB H 4.236 0 . 401 89 62 THR HG2 H 1.190 0 . 402 89 62 THR CA C 62.912 0 . 403 89 62 THR CB C 69.655 0 . 404 89 62 THR CG2 C 21.721 0 . 405 89 62 THR N N 113.035 0 . 406 90 63 ILE H H 7.822 0 . 407 90 63 ILE HA H 4.070 0 . 408 90 63 ILE HB H 1.866 0 . 409 90 63 ILE HG12 H 1.161 0 . 410 90 63 ILE HG13 H 1.485 0 . 411 90 63 ILE HD1 H 0.894 0 . 412 90 63 ILE CA C 61.685 0 . 413 90 63 ILE CB C 38.522 0 . 414 90 63 ILE CG1 C 27.357 0 . 415 90 63 ILE CG2 C 17.333 0 . 416 90 63 ILE CD1 C 12.883 0 . 417 90 63 ILE N N 122.733 0 . 418 91 64 ALA H H 8.210 0 . 419 91 64 ALA HA H 4.289 0 . 420 91 64 ALA HB H 1.389 0 . 421 91 64 ALA CA C 52.409 0 . 422 91 64 ALA CB C 19.074 0 . 423 91 64 ALA N N 126.871 0 . 424 92 65 ALA H H 8.106 0 . 425 92 65 ALA HA H 4.271 0 . 426 92 65 ALA HB H 1.395 0 . 427 92 65 ALA CA C 52.627 0 . 428 92 65 ALA CB C 19.152 0 . 429 92 65 ALA N N 122.666 0 . 430 93 66 ASN H H 8.256 0 . 431 93 66 ASN HA H 4.707 0 . 432 93 66 ASN HB2 H 2.828 0 . 433 93 66 ASN HB3 H 2.785 0 . 434 93 66 ASN CA C 53.204 0 . 435 93 66 ASN CB C 38.791 0 . 436 93 66 ASN N N 117.305 0 . 437 94 67 ASN H H 8.353 0 . 438 94 67 ASN HA H 4.758 0 . 439 94 67 ASN HB2 H 2.823 0 . 440 94 67 ASN HB3 H 2.846 0 . 441 94 67 ASN CA C 53.396 0 . 442 94 67 ASN CB C 38.727 0 . 443 94 67 ASN N N 119.443 0 . 444 95 68 THR H H 8.139 0 . 445 95 68 THR HA H 4.273 0 . 446 95 68 THR HB H 4.308 0 . 447 95 68 THR HG2 H 1.162 0 . 448 95 68 THR CA C 62.097 0 . 449 95 68 THR CB C 69.619 0 . 450 95 68 THR CG2 C 21.175 0 . 451 95 68 THR N N 114.214 0 . 452 96 69 GLU H H 8.337 0 . 453 96 69 GLU HA H 4.244 0 . 454 96 69 GLU HB2 H 1.891 0 . 455 96 69 GLU HG2 H 2.124 0 . 456 96 69 GLU CA C 56.484 0 . 457 96 69 GLU CB C 30.137 0 . 458 96 69 GLU CG C 36.107 0 . 459 96 69 GLU N N 122.840 0 . 460 97 70 PHE H H 8.122 0 . 461 97 70 PHE HA H 4.628 0 . 462 97 70 PHE HB2 H 2.987 0 . 463 97 70 PHE HB3 H 3.111 0 . 464 97 70 PHE HD1 H 7.230 0 . 465 97 70 PHE HD2 H 7.230 0 . 466 97 70 PHE CA C 57.331 0 . 467 97 70 PHE CB C 39.755 0 . 468 97 70 PHE CD1 C 131.916 0 . 469 97 70 PHE CE1 C 133.008 0 . 470 97 70 PHE N N 120.746 0 . 471 98 71 GLU H H 8.217 0 . 472 98 71 GLU CA C 53.679 0 . 473 98 71 GLU CB C 30.148 0 . 474 98 71 GLU N N 124.513 0 . 475 103 76 PRO HA H 4.433 0 . 476 103 76 PRO HB2 H 1.880 0 . 477 103 76 PRO HB3 H 2.284 0 . 478 103 76 PRO HG2 H 2.021 0 . 479 103 76 PRO HD2 H 3.637 0 . 480 103 76 PRO CA C 62.868 0 . 481 103 76 PRO CB C 32.030 0 . 482 103 76 PRO CG C 27.314 0 . 483 103 76 PRO CD C 50.407 0 . 484 104 77 VAL H H 8.204 0 . 485 104 77 VAL HA H 4.063 0 . 486 104 77 VAL HB H 2.027 0 . 487 104 77 VAL HG2 H 0.940 0 . 488 104 77 VAL CA C 62.208 0 . 489 104 77 VAL CB C 32.777 0 . 490 104 77 VAL CG1 C 20.709 0 . 491 104 77 VAL CG2 C 20.983 0 . 492 104 77 VAL N N 120.600 0 . 493 105 78 ALA H H 8.345 0 . 494 105 78 ALA CA C 50.113 0 . 495 105 78 ALA CB C 18.230 0 . 496 105 78 ALA N N 129.372 0 . 497 111 84 PRO HA H 4.439 0 . 498 111 84 PRO HB2 H 1.878 0 . 499 111 84 PRO HB3 H 2.283 0 . 500 111 84 PRO HG2 H 2.015 0 . 501 111 84 PRO HD2 H 3.634 0 . 502 111 84 PRO HD3 H 3.818 0 . 503 111 84 PRO CA C 62.886 0 . 504 111 84 PRO CB C 32.022 0 . 505 111 84 PRO CG C 27.306 0 . 506 111 84 PRO CD C 50.501 0 . 507 112 85 VAL H H 8.237 0 . 508 112 85 VAL HA H 4.067 0 . 509 112 85 VAL HB H 2.027 0 . 510 112 85 VAL HG2 H 0.929 0 . 511 112 85 VAL CA C 62.228 0 . 512 112 85 VAL CB C 32.777 0 . 513 112 85 VAL CG1 C 20.949 0 . 514 112 85 VAL CG2 C 19.998 0 . 515 112 85 VAL N N 120.902 0 . 516 113 86 GLU H H 8.408 0 . 517 113 86 GLU CA C 53.928 0 . 518 113 86 GLU CB C 29.892 0 . 519 113 86 GLU N N 126.478 0 . 520 117 90 PRO HA H 4.403 0 . 521 117 90 PRO HB2 H 1.874 0 . 522 117 90 PRO HB3 H 2.297 0 . 523 117 90 PRO HG2 H 2.018 0 . 524 117 90 PRO HG3 H 2.016 0 . 525 117 90 PRO HD2 H 3.634 0 . 526 117 90 PRO HD3 H 3.635 0 . 527 117 90 PRO CA C 62.736 0 . 528 117 90 PRO CB C 32.020 0 . 529 117 90 PRO CG C 27.311 0 . 530 117 90 PRO CD C 50.530 0 . 531 118 91 LYS H H 8.423 0 . 532 118 91 LYS HA H 4.288 0 . 533 118 91 LYS HB2 H 1.769 0 . 534 118 91 LYS HB3 H 1.775 0 . 535 118 91 LYS HG2 H 1.481 0 . 536 118 91 LYS HG3 H 1.481 0 . 537 118 91 LYS HD2 H 1.693 0 . 538 118 91 LYS HD3 H 1.693 0 . 539 118 91 LYS CA C 56.166 0 . 540 118 91 LYS CB C 32.968 0 . 541 118 91 LYS CG C 24.602 0 . 542 118 91 LYS CD C 29.055 0 . 543 118 91 LYS N N 122.130 0 . 544 119 92 VAL H H 8.192 0 . 545 119 92 VAL HA H 4.110 0 . 546 119 92 VAL HB H 2.025 0 . 547 119 92 VAL HG1 H 0.922 0 . 548 119 92 VAL CA C 61.963 0 . 549 119 92 VAL CB C 32.789 0 . 550 119 92 VAL CG1 C 20.976 0 . 551 119 92 VAL N N 122.341 0 . 552 120 93 GLU H H 8.485 0 . 553 120 93 GLU HA H 4.282 0 . 554 120 93 GLU HB2 H 1.895 0 . 555 120 93 GLU HB3 H 2.006 0 . 556 120 93 GLU HG2 H 2.232 0 . 557 120 93 GLU HG3 H 2.232 0 . 558 120 93 GLU CA C 56.127 0 . 559 120 93 GLU CB C 30.405 0 . 560 120 93 GLU CG C 36.269 0 . 561 120 93 GLU N N 125.625 0 . 562 121 94 ALA H H 8.351 0 . 563 121 94 ALA HB H 1.360 0 . 564 121 94 ALA CA C 50.210 0 . 565 121 94 ALA CB C 18.135 0 . 566 121 94 ALA N N 127.066 0 . 567 131 104 PRO HA H 4.418 0 . 568 131 104 PRO HB2 H 1.865 0 . 569 131 104 PRO HB3 H 2.280 0 . 570 131 104 PRO HG2 H 2.018 0 . 571 131 104 PRO HD2 H 3.634 0 . 572 131 104 PRO HD3 H 3.822 0 . 573 131 104 PRO CA C 62.827 0 . 574 131 104 PRO CB C 32.077 0 . 575 131 104 PRO CG C 27.311 0 . 576 131 104 PRO CD C 50.500 0 . 577 132 105 VAL H H 8.278 0 . 578 132 105 VAL HA H 4.069 0 . 579 132 105 VAL HB H 2.027 0 . 580 132 105 VAL HG1 H 0.938 0 . 581 132 105 VAL CA C 62.262 0 . 582 132 105 VAL CB C 32.789 0 . 583 132 105 VAL CG1 C 20.873 0 . 584 132 105 VAL N N 121.353 0 . 585 133 106 VAL H H 8.219 0 . 586 133 106 VAL HA H 4.120 0 . 587 133 106 VAL HB H 2.028 0 . 588 133 106 VAL HG2 H 0.920 0 . 589 133 106 VAL CA C 61.941 0 . 590 133 106 VAL CB C 32.764 0 . 591 133 106 VAL CG2 C 20.677 0 . 592 133 106 VAL N N 124.570 0 . 593 134 107 GLU H H 8.488 0 . 594 134 107 GLU HA H 4.274 0 . 595 134 107 GLU HB2 H 1.910 0 . 596 134 107 GLU HB3 H 2.009 0 . 597 134 107 GLU HG2 H 2.220 0 . 598 134 107 GLU CA C 56.214 0 . 599 134 107 GLU CB C 30.354 0 . 600 134 107 GLU CG C 36.269 0 . 601 134 107 GLU N N 125.616 0 . 602 135 108 GLU H H 8.489 0 . 603 135 108 GLU HA H 4.258 0 . 604 135 108 GLU HB2 H 1.848 0 . 605 135 108 GLU HB3 H 2.011 0 . 606 135 108 GLU HG2 H 2.263 0 . 607 135 108 GLU CA C 56.536 0 . 608 135 108 GLU CB C 30.399 0 . 609 135 108 GLU CG C 36.277 0 . 610 135 108 GLU N N 123.518 0 . 611 136 109 LYS H H 8.397 0 . 612 136 109 LYS HA H 4.299 0 . 613 136 109 LYS HB2 H 1.820 0 . 614 136 109 LYS HB3 H 1.749 0 . 615 136 109 LYS HG2 H 1.395 0 . 616 136 109 LYS HD2 H 1.657 0 . 617 136 109 LYS CA C 56.151 0 . 618 136 109 LYS CB C 33.213 0 . 619 136 109 LYS CG C 24.612 0 . 620 136 109 LYS CD C 28.929 0 . 621 136 109 LYS N N 123.007 0 . 622 137 110 ALA H H 8.299 0 . 623 137 110 ALA HA H 4.291 0 . 624 137 110 ALA HB H 1.366 0 . 625 137 110 ALA CA C 52.204 0 . 626 137 110 ALA CB C 19.280 0 . 627 137 110 ALA N N 125.543 0 . 628 138 111 ALA H H 8.302 0 . 629 138 111 ALA HA H 4.576 0 . 630 138 111 ALA HB H 1.352 0 . 631 138 111 ALA CA C 50.304 0 . 632 138 111 ALA CB C 18.017 0 . 633 138 111 ALA N N 124.999 0 . 634 139 112 PRO HA H 4.519 0 . 635 139 112 PRO HB2 H 2.308 0 . 636 139 112 PRO HG2 H 2.013 0 . 637 139 112 PRO HD2 H 3.634 0 . 638 139 112 PRO HD3 H 3.803 0 . 639 139 112 PRO CA C 63.073 0 . 640 139 112 PRO CB C 32.070 0 . 641 139 112 PRO CG C 27.308 0 . 642 139 112 PRO CD C 50.445 0 . 643 140 113 THR H H 8.272 0 . 644 140 113 THR HA H 4.366 0 . 645 140 113 THR HB H 4.287 0 . 646 140 113 THR HG2 H 1.993 0 . 647 140 113 THR CA C 61.770 0 . 648 140 113 THR CB C 70.149 0 . 649 140 113 THR CG2 C 20.976 0 . 650 140 113 THR N N 113.820 0 . 651 141 114 GLY H H 8.350 0 . 652 141 114 GLY HA2 H 4.000 0 . 653 141 114 GLY CA C 45.085 0 . 654 141 114 GLY N N 111.178 0 . 655 142 115 LYS H H 8.153 0 . 656 142 115 LYS HA H 4.292 0 . 657 142 115 LYS HB2 H 1.733 0 . 658 142 115 LYS CA C 56.191 0 . 659 142 115 LYS CB C 33.269 0 . 660 142 115 LYS CG C 24.587 0 . 661 142 115 LYS CD C 28.920 0 . 662 142 115 LYS N N 121.206 0 . 663 143 116 ALA H H 8.130 0 . 664 143 116 ALA HA H 4.611 0 . 665 143 116 ALA HB H 1.236 0 . 666 143 116 ALA CA C 51.026 0 . 667 143 116 ALA CB C 21.753 0 . 668 143 116 ALA N N 123.959 0 . 669 144 117 TYR H H 8.665 0 . 670 144 117 TYR HA H 5.253 0 . 671 144 117 TYR HB2 H 2.948 0 . 672 144 117 TYR HB3 H 2.565 0 . 673 144 117 TYR HD1 H 6.890 0 . 674 144 117 TYR HE1 H 6.861 0 . 675 144 117 TYR CA C 57.630 0 . 676 144 117 TYR CB C 42.943 0 . 677 144 117 TYR CD1 C 133.353 0 . 678 144 117 TYR CE1 C 118.187 0 . 679 144 117 TYR N N 118.148 0 . 680 145 118 VAL H H 9.349 0 . 681 145 118 VAL HA H 5.044 0 . 682 145 118 VAL HB H 1.970 0 . 683 145 118 VAL HG1 H 0.940 0 . 684 145 118 VAL HG2 H 0.914 0 . 685 145 118 VAL CA C 59.499 0 . 686 145 118 VAL CB C 36.823 0 . 687 145 118 VAL CG1 C 21.920 0 . 688 145 118 VAL CG2 C 19.818 0 . 689 145 118 VAL N N 114.041 0 . 690 146 119 VAL H H 9.318 0 . 691 146 119 VAL HA H 4.620 0 . 692 146 119 VAL HB H 1.999 0 . 693 146 119 VAL HG1 H 0.854 0 . 694 146 119 VAL HG2 H 0.533 0 . 695 146 119 VAL CA C 61.050 0 . 696 146 119 VAL CB C 33.622 0 . 697 146 119 VAL CG1 C 22.857 0 . 698 146 119 VAL CG2 C 21.141 0 . 699 146 119 VAL N N 120.646 0 . 700 147 120 GLN H H 9.074 0 . 701 147 120 GLN HA H 4.720 0 . 702 147 120 GLN HB2 H 1.998 0 . 703 147 120 GLN HB3 H 2.099 0 . 704 147 120 GLN HG2 H 2.001 0 . 705 147 120 GLN HG3 H 2.095 0 . 706 147 120 GLN CA C 55.156 0 . 707 147 120 GLN CB C 28.881 0 . 708 147 120 GLN CG C 34.571 0 . 709 147 120 GLN N N 127.635 0 . 710 148 121 LEU H H 8.952 0 . 711 148 121 LEU HA H 4.119 0 . 712 148 121 LEU HB2 H 1.055 0 . 713 148 121 LEU HB3 H 1.531 0 . 714 148 121 LEU HG H 0.732 0 . 715 148 121 LEU HD1 H 0.616 0 . 716 148 121 LEU CA C 56.419 0 . 717 148 121 LEU CB C 43.462 0 . 718 148 121 LEU CG C 25.969 0 . 719 148 121 LEU CD1 C 24.918 0 . 720 148 121 LEU N N 131.875 0 . 721 149 122 GLY H H 7.077 0 . 722 149 122 GLY HA2 H 3.896 0 . 723 149 122 GLY HA3 H 4.029 0 . 724 149 122 GLY CA C 45.083 0 . 725 149 122 GLY N N 99.212 0 . 726 150 123 ALA H H 8.410 0 . 727 150 123 ALA HA H 5.174 0 . 728 150 123 ALA HB H 1.155 0 . 729 150 123 ALA CA C 51.243 0 . 730 150 123 ALA CB C 20.445 0 . 731 150 123 ALA N N 123.262 0 . 732 151 124 LEU H H 8.339 0 . 733 151 124 LEU HA H 4.900 0 . 734 151 124 LEU HB2 H 1.524 0 . 735 151 124 LEU HB3 H 1.650 0 . 736 151 124 LEU HG H 1.550 0 . 737 151 124 LEU HD1 H 0.985 0 . 738 151 124 LEU HD2 H 0.791 0 . 739 151 124 LEU CA C 54.184 0 . 740 151 124 LEU CB C 46.695 0 . 741 151 124 LEU CG C 27.260 0 . 742 151 124 LEU CD1 C 24.566 0 . 743 151 124 LEU CD2 C 25.970 0 . 744 151 124 LEU N N 120.803 0 . 745 152 125 LYS HA H 4.583 0 . 746 152 125 LYS HB2 H 1.646 0 . 747 152 125 LYS HG2 H 0.942 0 . 748 152 125 LYS HG3 H 1.416 0 . 749 152 125 LYS CA C 56.784 0 . 750 152 125 LYS CB C 34.083 0 . 751 152 125 LYS CG C 26.333 0 . 752 152 125 LYS CD C 29.574 0 . 753 153 126 ASN H H 7.128 0 . 754 153 126 ASN HA H 5.144 0 . 755 153 126 ASN HB2 H 2.817 0 . 756 153 126 ASN HB3 H 2.986 0 . 757 153 126 ASN CA C 51.894 0 . 758 153 126 ASN CB C 38.556 0 . 759 153 126 ASN N N 117.371 0 . 760 154 127 ALA H H 8.131 0 . 761 154 127 ALA HA H 3.799 0 . 762 154 127 ALA HB H 1.218 0 . 763 154 127 ALA CA C 55.029 0 . 764 154 127 ALA CB C 18.239 0 . 765 154 127 ALA N N 129.379 0 . 766 155 128 ASP H H 8.196 0 . 767 155 128 ASP HA H 4.475 0 . 768 155 128 ASP HB2 H 2.699 0 . 769 155 128 ASP HB3 H 2.828 0 . 770 155 128 ASP CA C 57.407 0 . 771 155 128 ASP CB C 39.663 0 . 772 155 128 ASP N N 117.482 0 . 773 156 129 LYS H H 7.653 0 . 774 156 129 LYS HA H 4.165 0 . 775 156 129 LYS HB2 H 1.897 0 . 776 156 129 LYS HB3 H 1.857 0 . 777 156 129 LYS HG2 H 1.842 0 . 778 156 129 LYS HD2 H 1.915 0 . 779 156 129 LYS HE2 H 2.683 0 . 780 156 129 LYS CA C 57.583 0 . 781 156 129 LYS CB C 31.425 0 . 782 156 129 LYS CG C 27.961 0 . 783 156 129 LYS N N 122.207 0 . 784 157 130 VAL H H 7.993 0 . 785 157 130 VAL HA H 3.342 0 . 786 157 130 VAL HB H 2.245 0 . 787 157 130 VAL HG1 H 0.781 0 . 788 157 130 VAL HG2 H 0.870 0 . 789 157 130 VAL CA C 67.291 0 . 790 157 130 VAL CB C 31.161 0 . 791 157 130 VAL CG1 C 22.351 0 . 792 157 130 VAL CG2 C 24.379 0 . 793 157 130 VAL N N 118.686 0 . 794 158 131 ASN H H 8.224 0 . 795 158 131 ASN HA H 4.408 0 . 796 158 131 ASN HB2 H 2.875 0 . 797 158 131 ASN HB3 H 2.812 0 . 798 158 131 ASN CA C 56.341 0 . 799 158 131 ASN CB C 37.786 0 . 800 158 131 ASN N N 116.034 0 . 801 159 132 GLU H H 8.130 0 . 802 159 132 GLU HA H 4.061 0 . 803 159 132 GLU HB2 H 2.067 0 . 804 159 132 GLU HG2 H 2.253 0 . 805 159 132 GLU HG3 H 2.396 0 . 806 159 132 GLU CA C 59.265 0 . 807 159 132 GLU CB C 29.942 0 . 808 159 132 GLU CG C 36.012 0 . 809 159 132 GLU N N 122.604 0 . 810 160 133 ILE H H 8.443 0 . 811 160 133 ILE HA H 3.532 0 . 812 160 133 ILE HB H 1.894 0 . 813 160 133 ILE HG12 H 1.011 0 . 814 160 133 ILE HG2 H 0.753 0 . 815 160 133 ILE HD1 H 0.808 0 . 816 160 133 ILE CA C 65.915 0 . 817 160 133 ILE CB C 38.239 0 . 818 160 133 ILE CG1 C 29.825 0 . 819 160 133 ILE CG2 C 18.122 0 . 820 160 133 ILE CD1 C 14.350 0 . 821 160 133 ILE N N 121.425 0 . 822 161 134 VAL H H 8.940 0 . 823 161 134 VAL HA H 3.377 0 . 824 161 134 VAL HB H 2.173 0 . 825 161 134 VAL HG1 H 0.898 0 . 826 161 134 VAL CA C 67.684 0 . 827 161 134 VAL CB C 31.556 0 . 828 161 134 VAL CG1 C 23.445 0 . 829 161 134 VAL N N 120.032 0 . 830 162 135 GLY H H 8.023 0 . 831 162 135 GLY HA2 H 3.856 0 . 832 162 135 GLY HA3 H 4.017 0 . 833 162 135 GLY CA C 47.401 0 . 834 162 135 GLY N N 104.709 0 . 835 163 136 LYS H H 7.977 0 . 836 163 136 LYS HA H 4.139 0 . 837 163 136 LYS HB2 H 1.837 0 . 838 163 136 LYS HB3 H 2.002 0 . 839 163 136 LYS HD2 H 1.686 0 . 840 163 136 LYS HE2 H 2.321 0 . 841 163 136 LYS CA C 59.190 0 . 842 163 136 LYS CB C 32.759 0 . 843 163 136 LYS CG C 25.423 0 . 844 163 136 LYS CD C 29.121 0 . 845 163 136 LYS CE C 41.981 0 . 846 163 136 LYS N N 123.338 0 . 847 164 137 LEU H H 8.568 0 . 848 164 137 LEU HA H 4.097 0 . 849 164 137 LEU HB2 H 2.012 0 . 850 164 137 LEU HB3 H 1.203 0 . 851 164 137 LEU HG H 1.871 0 . 852 164 137 LEU HD1 H 0.595 0 . 853 164 137 LEU CA C 58.173 0 . 854 164 137 LEU CB C 42.089 0 . 855 164 137 LEU CG C 26.625 0 . 856 164 137 LEU CD1 C 24.412 0 . 857 164 137 LEU N N 119.504 0 . 858 165 138 ARG H H 8.921 0 . 859 165 138 ARG HA H 4.588 0 . 860 165 138 ARG HB2 H 1.781 0 . 861 165 138 ARG HB3 H 1.938 0 . 862 165 138 ARG HG2 H 1.753 0 . 863 165 138 ARG HD2 H 3.236 0 . 864 165 138 ARG CA C 59.769 0 . 865 165 138 ARG CB C 29.748 0 . 866 165 138 ARG CG C 28.636 0 . 867 165 138 ARG CD C 43.698 0 . 868 165 138 ARG N N 120.650 0 . 869 166 139 GLY H H 8.320 0 . 870 166 139 GLY HA2 H 3.979 0 . 871 166 139 GLY CA C 46.757 0 . 872 166 139 GLY N N 108.605 0 . 873 167 140 ALA H H 7.396 0 . 874 167 140 ALA HA H 4.580 0 . 875 167 140 ALA HB H 1.694 0 . 876 167 140 ALA CA C 51.616 0 . 877 167 140 ALA CB C 19.643 0 . 878 167 140 ALA N N 121.219 0 . 879 168 141 GLY H H 7.777 0 . 880 168 141 GLY HA2 H 4.120 0 . 881 168 141 GLY HA3 H 3.669 0 . 882 168 141 GLY CA C 45.230 0 . 883 168 141 GLY N N 105.376 0 . 884 169 142 TYR H H 7.777 0 . 885 169 142 TYR HA H 4.294 0 . 886 169 142 TYR HB2 H 2.416 0 . 887 169 142 TYR HB3 H 2.759 0 . 888 169 142 TYR HD1 H 7.159 0 . 889 169 142 TYR HE1 H 6.652 0 . 890 169 142 TYR CA C 59.412 0 . 891 169 142 TYR CB C 38.971 0 . 892 169 142 TYR CD1 C 133.065 0 . 893 169 142 TYR N N 118.457 0 . 894 170 143 ARG H H 8.830 0 . 895 170 143 ARG HA H 4.591 0 . 896 170 143 ARG HB2 H 1.771 0 . 897 170 143 ARG HD2 H 3.215 0 . 898 170 143 ARG CA C 55.896 0 . 899 170 143 ARG CB C 29.725 0 . 900 170 143 ARG CD C 43.630 0 . 901 170 143 ARG N N 124.549 0 . 902 171 144 VAL H H 8.431 0 . 903 171 144 VAL HA H 5.504 0 . 904 171 144 VAL HB H 1.852 0 . 905 171 144 VAL HG2 H 0.959 0 . 906 171 144 VAL CA C 59.000 0 . 907 171 144 VAL CB C 35.384 0 . 908 171 144 VAL CG1 C 22.255 0 . 909 171 144 VAL CG2 C 22.172 0 . 910 171 144 VAL N N 123.385 0 . 911 172 145 TYR H H 9.447 0 . 912 172 145 TYR HA H 4.962 0 . 913 172 145 TYR HB2 H 3.159 0 . 914 172 145 TYR HB3 H 3.150 0 . 915 172 145 TYR HD1 H 6.906 0 . 916 172 145 TYR HE1 H 6.407 0 . 917 172 145 TYR CA C 56.018 0 . 918 172 145 TYR CB C 39.809 0 . 919 172 145 TYR CD1 C 134.101 0 . 920 172 145 TYR CE1 C 118.071 0 . 921 172 145 TYR N N 125.833 0 . 922 173 146 THR H H 8.545 0 . 923 173 146 THR HA H 5.315 0 . 924 173 146 THR HB H 4.134 0 . 925 173 146 THR HG2 H 0.888 0 . 926 173 146 THR CA C 58.601 0 . 927 173 146 THR CB C 71.752 0 . 928 173 146 THR CG2 C 21.814 0 . 929 173 146 THR N N 107.259 0 . 930 174 147 SER H H 8.215 0 . 931 174 147 SER HB2 H 4.241 0 . 932 174 147 SER HB3 H 4.052 0 . 933 174 147 SER CA C 54.329 0 . 934 174 147 SER CB C 64.587 0 . 935 174 147 SER N N 114.223 0 . 936 175 148 PRO HD2 H 3.636 0 . 937 176 149 SER HA H 4.048 0 . 938 176 149 SER HB2 H 4.040 0 . 939 176 149 SER CA C 61.383 0 . 940 176 149 SER CB C 63.042 0 . 941 177 150 THR H H 7.366 0 . 942 177 150 THR HA H 4.782 0 . 943 177 150 THR HB H 3.919 0 . 944 177 150 THR HG2 H 1.183 0 . 945 177 150 THR CA C 59.407 0 . 946 177 150 THR CB C 70.262 0 . 947 177 150 THR N N 115.312 0 . 948 178 151 PRO HA H 4.216 0 . 949 178 151 PRO HB2 H 2.236 0 . 950 178 151 PRO HG2 H 1.754 0 . 951 178 151 PRO HD2 H 3.829 0 . 952 178 151 PRO CA C 63.277 0 . 953 178 151 PRO CB C 32.397 0 . 954 178 151 PRO CG C 28.095 0 . 955 179 152 VAL H H 8.308 0 . 956 179 152 VAL HA H 4.133 0 . 957 179 152 VAL HB H 1.823 0 . 958 179 152 VAL HG1 H 0.874 0 . 959 179 152 VAL CA C 60.988 0 . 960 179 152 VAL CB C 34.055 0 . 961 179 152 VAL CG1 C 21.017 0 . 962 179 152 VAL N N 124.607 0 . 963 180 153 GLN H H 8.855 0 . 964 180 153 GLN HA H 4.247 0 . 965 180 153 GLN HB2 H 2.176 0 . 966 180 153 GLN HB3 H 1.959 0 . 967 180 153 GLN HG2 H 2.345 0 . 968 180 153 GLN HG3 H 2.596 0 . 969 180 153 GLN CA C 57.040 0 . 970 180 153 GLN CB C 27.874 0 . 971 180 153 GLN CG C 32.009 0 . 972 180 153 GLN N N 128.342 0 . 973 181 154 GLY H H 9.027 0 . 974 181 154 GLY HA2 H 3.704 0 . 975 181 154 GLY HA3 H 4.381 0 . 976 181 154 GLY CA C 45.416 0 . 977 181 154 GLY N N 115.059 0 . 978 182 155 LYS H H 7.923 0 . 979 182 155 LYS HA H 4.701 0 . 980 182 155 LYS HB2 H 1.653 0 . 981 182 155 LYS HB3 H 1.851 0 . 982 182 155 LYS HG2 H 1.351 0 . 983 182 155 LYS HG3 H 1.373 0 . 984 182 155 LYS HD2 H 1.621 0 . 985 182 155 LYS CA C 53.797 0 . 986 182 155 LYS CB C 34.934 0 . 987 182 155 LYS CG C 24.985 0 . 988 182 155 LYS CD C 29.003 0 . 989 182 155 LYS N N 120.677 0 . 990 183 156 ILE H H 8.447 0 . 991 183 156 ILE HA H 3.436 0 . 992 183 156 ILE HB H 1.692 0 . 993 183 156 ILE HG12 H 1.071 0 . 994 183 156 ILE HG2 H 0.895 0 . 995 183 156 ILE HD1 H 0.742 0 . 996 183 156 ILE CA C 62.715 0 . 997 183 156 ILE CB C 38.118 0 . 998 183 156 ILE CG1 C 28.246 0 . 999 183 156 ILE CG2 C 17.923 0 . 1000 183 156 ILE CD1 C 12.648 0 . 1001 183 156 ILE N N 121.407 0 . 1002 184 157 THR H H 8.364 0 . 1003 184 157 THR HA H 4.905 0 . 1004 184 157 THR HB H 3.927 0 . 1005 184 157 THR HG2 H 1.123 0 . 1006 184 157 THR CA C 61.901 0 . 1007 184 157 THR CB C 69.572 0 . 1008 184 157 THR CG2 C 23.051 0 . 1009 184 157 THR N N 124.296 0 . 1010 185 158 ARG H H 8.899 0 . 1011 185 158 ARG HA H 4.935 0 . 1012 185 158 ARG HB2 H 1.724 0 . 1013 185 158 ARG HB3 H 1.637 0 . 1014 185 158 ARG HG2 H 1.627 0 . 1015 185 158 ARG HD2 H 3.161 0 . 1016 185 158 ARG HD3 H 3.143 0 . 1017 185 158 ARG CA C 55.162 0 . 1018 185 158 ARG CB C 32.102 0 . 1019 185 158 ARG CG C 27.063 0 . 1020 185 158 ARG CD C 43.536 0 . 1021 185 158 ARG N N 125.093 0 . 1022 186 159 ILE H H 8.174 0 . 1023 186 159 ILE HA H 4.020 0 . 1024 186 159 ILE HB H 1.423 0 . 1025 186 159 ILE HG12 H 1.513 0 . 1026 186 159 ILE HG2 H 0.587 0 . 1027 186 159 ILE HD1 H 0.750 0 . 1028 186 159 ILE CA C 61.635 0 . 1029 186 159 ILE CB C 39.634 0 . 1030 186 159 ILE CG1 C 27.068 0 . 1031 186 159 ILE CG2 C 18.033 0 . 1032 186 159 ILE CD1 C 15.010 0 . 1033 186 159 ILE N N 121.360 0 . 1034 187 160 LEU H H 8.694 0 . 1035 187 160 LEU HA H 5.318 0 . 1036 187 160 LEU HB2 H 0.171 0 . 1037 187 160 LEU HB3 H 0.792 0 . 1038 187 160 LEU HG H 1.350 0 . 1039 187 160 LEU HD1 H 0.679 0 . 1040 187 160 LEU HD2 H 0.630 0 . 1041 187 160 LEU CA C 53.494 0 . 1042 187 160 LEU CB C 42.600 0 . 1043 187 160 LEU CG C 28.081 0 . 1044 187 160 LEU CD1 C 25.443 0 . 1045 187 160 LEU CD2 C 25.291 0 . 1046 187 160 LEU N N 130.559 0 . 1047 188 161 VAL H H 8.680 0 . 1048 188 161 VAL HA H 4.944 0 . 1049 188 161 VAL HB H 1.786 0 . 1050 188 161 VAL HG1 H 1.050 0 . 1051 188 161 VAL CA C 60.571 0 . 1052 188 161 VAL CB C 34.289 0 . 1053 188 161 VAL CG1 C 21.257 0 . 1054 188 161 VAL CG2 C 21.138 0 . 1055 188 161 VAL N N 119.289 0 . 1056 189 162 GLY H H 8.783 0 . 1057 189 162 GLY HA2 H 4.927 0 . 1058 189 162 GLY HA3 H 3.457 0 . 1059 189 162 GLY CA C 41.572 0 . 1060 189 162 GLY N N 113.591 0 . 1061 190 163 PRO HA H 5.129 0 . 1062 190 163 PRO HB2 H 1.391 0 . 1063 190 163 PRO HB3 H 1.580 0 . 1064 190 163 PRO HG2 H 0.982 0 . 1065 190 163 PRO HD2 H 3.313 0 . 1066 190 163 PRO HD3 H 3.203 0 . 1067 190 163 PRO CA C 62.138 0 . 1068 190 163 PRO CB C 35.547 0 . 1069 190 163 PRO CG C 24.458 0 . 1070 190 163 PRO CD C 50.114 0 . 1071 191 164 ASP H H 9.521 0 . 1072 191 164 ASP HA H 4.828 0 . 1073 191 164 ASP HB2 H 2.399 0 . 1074 191 164 ASP HB3 H 2.630 0 . 1075 191 164 ASP CA C 53.679 0 . 1076 191 164 ASP CB C 48.229 0 . 1077 191 164 ASP N N 120.940 0 . 1078 192 165 ALA H H 8.681 0 . 1079 192 165 ALA HA H 4.541 0 . 1080 192 165 ALA HB H 1.558 0 . 1081 192 165 ALA CA C 54.025 0 . 1082 192 165 ALA CB C 19.629 0 . 1083 192 165 ALA N N 127.661 0 . 1084 193 166 SER H H 9.775 0 . 1085 193 166 SER HA H 4.830 0 . 1086 193 166 SER HB2 H 3.799 0 . 1087 193 166 SER HB3 H 4.030 0 . 1088 193 166 SER CA C 55.419 0 . 1089 193 166 SER CB C 62.604 0 . 1090 193 166 SER N N 112.679 0 . 1091 194 167 LYS H H 8.175 0 . 1092 194 167 LYS HA H 3.284 0 . 1093 194 167 LYS HB2 H 0.917 0 . 1094 194 167 LYS HB3 H 0.504 0 . 1095 194 167 LYS HG2 H 0.703 0 . 1096 194 167 LYS HD2 H 1.313 0 . 1097 194 167 LYS HE2 H 2.744 0 . 1098 194 167 LYS HE3 H 2.710 0 . 1099 194 167 LYS CA C 59.566 0 . 1100 194 167 LYS CB C 31.136 0 . 1101 194 167 LYS CG C 24.627 0 . 1102 194 167 LYS CD C 29.244 0 . 1103 194 167 LYS CE C 41.851 0 . 1104 194 167 LYS N N 130.216 0 . 1105 195 168 GLU H H 8.020 0 . 1106 195 168 GLU HA H 4.238 0 . 1107 195 168 GLU HB2 H 2.562 0 . 1108 195 168 GLU HB3 H 2.369 0 . 1109 195 168 GLU CA C 57.216 0 . 1110 195 168 GLU CB C 40.411 0 . 1111 195 168 GLU N N 117.668 0 . 1112 196 169 LYS H H 8.170 0 . 1113 196 169 LYS HA H 4.005 0 . 1114 196 169 LYS HB2 H 1.870 0 . 1115 196 169 LYS HB3 H 1.902 0 . 1116 196 169 LYS HG2 H 1.309 0 . 1117 196 169 LYS CA C 58.886 0 . 1118 196 169 LYS CB C 32.378 0 . 1119 196 169 LYS CG C 24.490 0 . 1120 196 169 LYS CE C 42.178 0 . 1121 196 169 LYS N N 123.154 0 . 1122 197 170 LEU H H 7.193 0 . 1123 197 170 LEU HA H 4.016 0 . 1124 197 170 LEU HB2 H 1.248 0 . 1125 197 170 LEU HB3 H 1.817 0 . 1126 197 170 LEU HG H 0.911 0 . 1127 197 170 LEU HD1 H 0.840 0 . 1128 197 170 LEU CA C 57.547 0 . 1129 197 170 LEU CB C 40.996 0 . 1130 197 170 LEU CG C 26.701 0 . 1131 197 170 LEU CD1 C 20.979 0 . 1132 197 170 LEU N N 117.794 0 . 1133 198 171 LYS H H 8.713 0 . 1134 198 171 LYS HA H 3.791 0 . 1135 198 171 LYS HB2 H 1.888 0 . 1136 198 171 LYS HB3 H 1.869 0 . 1137 198 171 LYS HG2 H 1.420 0 . 1138 198 171 LYS HD2 H 1.696 0 . 1139 198 171 LYS HD3 H 1.594 0 . 1140 198 171 LYS CA C 59.750 0 . 1141 198 171 LYS CB C 32.148 0 . 1142 198 171 LYS CG C 25.090 0 . 1143 198 171 LYS CD C 29.273 0 . 1144 198 171 LYS CE C 40.785 0 . 1145 198 171 LYS N N 120.393 0 . 1146 199 172 GLY H H 8.169 0 . 1147 199 172 GLY HA2 H 3.973 0 . 1148 199 172 GLY HA3 H 4.065 0 . 1149 199 172 GLY CA C 46.195 0 . 1150 199 172 GLY N N 105.489 0 . 1151 200 173 SER H H 7.659 0 . 1152 200 173 SER HA H 4.767 0 . 1153 200 173 SER HB2 H 4.163 0 . 1154 200 173 SER HB3 H 4.235 0 . 1155 200 173 SER CA C 59.420 0 . 1156 200 173 SER CB C 64.511 0 . 1157 200 173 SER N N 115.201 0 . 1158 201 174 LEU H H 7.358 0 . 1159 201 174 LEU HA H 3.811 0 . 1160 201 174 LEU HB2 H 1.464 0 . 1161 201 174 LEU HB3 H 1.912 0 . 1162 201 174 LEU HG H 2.117 0 . 1163 201 174 LEU HD1 H 0.967 0 . 1164 201 174 LEU HD2 H 0.599 0 . 1165 201 174 LEU CA C 58.709 0 . 1166 201 174 LEU CB C 41.326 0 . 1167 201 174 LEU CG C 25.874 0 . 1168 201 174 LEU CD1 C 26.122 0 . 1169 201 174 LEU CD2 C 23.529 0 . 1170 201 174 LEU N N 120.026 0 . 1171 202 175 GLY H H 8.715 0 . 1172 202 175 GLY HA2 H 3.979 0 . 1173 202 175 GLY HA3 H 3.841 0 . 1174 202 175 GLY CA C 47.401 0 . 1175 202 175 GLY N N 109.255 0 . 1176 203 176 GLU H H 8.532 0 . 1177 203 176 GLU HA H 4.143 0 . 1178 203 176 GLU HG2 H 2.352 0 . 1179 203 176 GLU HG3 H 2.325 0 . 1180 203 176 GLU CA C 59.407 0 . 1181 203 176 GLU CB C 29.289 0 . 1182 203 176 GLU CG C 37.143 0 . 1183 203 176 GLU N N 126.616 0 . 1184 204 177 LEU H H 8.569 0 . 1185 204 177 LEU HA H 3.784 0 . 1186 204 177 LEU HB2 H 1.933 0 . 1187 204 177 LEU HB3 H 1.933 0 . 1188 204 177 LEU HG H 0.592 0 . 1189 204 177 LEU HD1 H -0.040 0 . 1190 204 177 LEU CA C 58.148 0 . 1191 204 177 LEU CB C 41.625 0 . 1192 204 177 LEU CG C 25.890 0 . 1193 204 177 LEU CD1 C 22.567 0 . 1194 204 177 LEU N N 117.424 0 . 1195 205 178 LYS H H 8.241 0 . 1196 205 178 LYS HA H 4.426 0 . 1197 205 178 LYS HB2 H 2.107 0 . 1198 205 178 LYS HG2 H 0.901 0 . 1199 205 178 LYS HG3 H 1.062 0 . 1200 205 178 LYS CA C 59.037 0 . 1201 205 178 LYS CB C 32.216 0 . 1202 205 178 LYS CG C 24.511 0 . 1203 205 178 LYS N N 124.458 0 . 1204 206 179 GLN H H 8.095 0 . 1205 206 179 GLN HA H 3.987 0 . 1206 206 179 GLN HB2 H 2.258 0 . 1207 206 179 GLN HG2 H 2.424 0 . 1208 206 179 GLN HG3 H 2.495 0 . 1209 206 179 GLN CA C 59.064 0 . 1210 206 179 GLN CB C 28.196 0 . 1211 206 179 GLN CG C 33.625 0 . 1212 206 179 GLN N N 122.008 0 . 1213 207 180 LEU H H 8.136 0 . 1214 207 180 LEU HA H 4.191 0 . 1215 207 180 LEU HB2 H 1.757 0 . 1216 207 180 LEU HB3 H 1.200 0 . 1217 207 180 LEU HG H 0.915 0 . 1218 207 180 LEU HD2 H 0.922 0 . 1219 207 180 LEU CA C 56.908 0 . 1220 207 180 LEU CB C 44.536 0 . 1221 207 180 LEU CG C 26.702 0 . 1222 207 180 LEU CD2 C 23.530 0 . 1223 207 180 LEU N N 115.200 0 . 1224 208 181 SER H H 7.954 0 . 1225 208 181 SER HA H 4.514 0 . 1226 208 181 SER HB2 H 3.557 0 . 1227 208 181 SER HB3 H 3.895 0 . 1228 208 181 SER CA C 59.388 0 . 1229 208 181 SER CB C 68.522 0 . 1230 208 181 SER N N 109.264 0 . 1231 209 182 GLY H H 8.764 0 . 1232 209 182 GLY HA2 H 3.822 0 . 1233 209 182 GLY HA3 H 4.263 0 . 1234 209 182 GLY CA C 45.607 0 . 1235 209 182 GLY N N 113.284 0 . 1236 210 183 LEU H H 8.269 0 . 1237 210 183 LEU HA H 4.576 0 . 1238 210 183 LEU HB2 H 1.452 0 . 1239 210 183 LEU HB3 H 1.610 0 . 1240 210 183 LEU HG H 0.651 0 . 1241 210 183 LEU HD1 H 0.844 0 . 1242 210 183 LEU CA C 53.879 0 . 1243 210 183 LEU CB C 42.845 0 . 1244 210 183 LEU CG C 25.977 0 . 1245 210 183 LEU CD1 C 22.602 0 . 1246 210 183 LEU N N 122.380 0 . 1247 211 184 SER H H 8.571 0 . 1248 211 184 SER HA H 4.534 0 . 1249 211 184 SER HB2 H 3.769 0 . 1250 211 184 SER HB3 H 3.950 0 . 1251 211 184 SER CA C 56.925 0 . 1252 211 184 SER CB C 63.106 0 . 1253 211 184 SER N N 118.061 0 . 1254 212 185 GLY H H 8.694 0 . 1255 212 185 GLY HA2 H 3.108 0 . 1256 212 185 GLY HA3 H 4.695 0 . 1257 212 185 GLY CA C 45.251 0 . 1258 212 185 GLY N N 111.357 0 . 1259 213 186 VAL H H 7.506 0 . 1260 213 186 VAL HA H 4.490 0 . 1261 213 186 VAL HB H 1.999 0 . 1262 213 186 VAL HG1 H 0.952 0 . 1263 213 186 VAL CA C 60.108 0 . 1264 213 186 VAL CB C 35.662 0 . 1265 213 186 VAL CG1 C 20.769 0 . 1266 213 186 VAL N N 114.878 0 . 1267 214 187 VAL H H 8.943 0 . 1268 214 187 VAL HA H 4.617 0 . 1269 214 187 VAL HB H 1.999 0 . 1270 214 187 VAL HG1 H 0.945 0 . 1271 214 187 VAL CA C 62.776 0 . 1272 214 187 VAL CB C 31.566 0 . 1273 214 187 VAL CG1 C 22.186 0 . 1274 214 187 VAL CG2 C 22.162 0 . 1275 214 187 VAL N N 126.837 0 . 1276 215 188 MET H H 9.531 0 . 1277 215 188 MET HA H 5.079 0 . 1278 215 188 MET HB2 H 1.979 0 . 1279 215 188 MET HB3 H 2.205 0 . 1280 215 188 MET HG2 H 2.468 0 . 1281 215 188 MET CA C 53.945 0 . 1282 215 188 MET CB C 36.926 0 . 1283 215 188 MET CG C 30.920 0 . 1284 215 188 MET N N 126.553 0 . 1285 216 189 GLY H H 8.793 0 . 1286 216 189 GLY HA2 H 3.697 0 . 1287 216 189 GLY HA3 H 4.159 0 . 1288 216 189 GLY CA C 45.779 0 . 1289 216 189 GLY N N 107.539 0 . 1290 217 190 TYR H H 8.293 0 . 1291 217 190 TYR HA H 4.546 0 . 1292 217 190 TYR HB2 H 2.481 0 . 1293 217 190 TYR HB3 H 2.574 0 . 1294 217 190 TYR HD1 H 6.888 0 . 1295 217 190 TYR HE1 H 6.692 0 . 1296 217 190 TYR CA C 57.117 0 . 1297 217 190 TYR CB C 39.716 0 . 1298 217 190 TYR CD1 C 133.023 0 . 1299 217 190 TYR CE1 C 118.211 0 . 1300 217 190 TYR N N 123.685 0 . 1301 218 191 THR H H 7.831 0 . 1302 218 191 THR HA H 5.009 0 . 1303 218 191 THR HB H 4.351 0 . 1304 218 191 THR CA C 58.142 0 . 1305 218 191 THR CB C 70.095 0 . 1306 218 191 THR N N 123.448 0 . 1307 219 192 PRO HA H 4.094 0 . 1308 219 192 PRO HB2 H 1.977 0 . 1309 219 192 PRO HB3 H 2.167 0 . 1310 219 192 PRO HG2 H 1.853 0 . 1311 219 192 PRO HG3 H 1.898 0 . 1312 219 192 PRO HD2 H 3.549 0 . 1313 219 192 PRO HD3 H 3.213 0 . 1314 219 192 PRO CA C 62.950 0 . 1315 219 192 PRO CB C 31.841 0 . 1316 219 192 PRO CG C 26.846 0 . 1317 219 192 PRO CD C 50.653 0 . 1318 220 193 ASN H H 7.816 0 . 1319 220 193 ASN HA H 4.373 0 . 1320 220 193 ASN HB2 H 2.654 0 . 1321 220 193 ASN HB3 H 2.708 0 . 1322 220 193 ASN CA C 54.735 0 . 1323 220 193 ASN CB C 40.141 0 . 1324 220 193 ASN N N 123.730 0 . stop_ save_