data_27563 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 14-3-3 Sigma Backbone Assignment ; _BMRB_accession_number 27563 _BMRB_flat_file_name bmr27563.str _Entry_type original _Submission_date 2018-07-26 _Accession_date 2018-07-26 _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 Neves Joao Filipe . 2 Merzougui Hamida . . 3 Boll Emmanuelle . . 4 Hanoulle Xavier . . 5 Landrieu Isabelle . . 6 Cantrelle Francois-Xavier . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 177 "13C chemical shifts" 563 "15N chemical shifts" 177 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-11 update BMRB 'update entry citation' 2018-11-15 original author 'original release' stop_ _Original_release_date 2018-07-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone chemical shift assignments of human 14-3-3sigma. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30377945 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Neves 'Joao Filipe' F. . 2 Landrieu Isabelle . . 3 Merzougui Hamida . . 4 Boll Emmanuelle . . 5 Hanoulle Xavier . . 6 Cantrelle Francois-Xavier X. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 13 _Journal_issue 1 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 103 _Page_last 107 _Year 2019 _Details . loop_ _Keyword 14-3-3 'Protein-Protein Interactions' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name '14-3-3 Sigma dimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label '14-3-3_Sigma, chain 1' $14-3-3_Sigma '14-3-3_Sigma, chain 2' $14-3-3_Sigma stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Adapter Protein' 'Protein-Protein Interactions' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_14-3-3_Sigma _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 14-3-3_Sigma _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Adapter Protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 236 _Mol_residue_sequence ; GAMGSMERASLIQKAKLAEQ AERYEDMAAFMKGAVEKGEE LSCEERNLLSVAYKNVVGGQ RAAWRVLSSIEQKSNEEGSE EKGPEVREYREKVETELQGV CDTVLGLLDSHLIKEAGDAE SRVFYLKMKGDYYRYLAEVA TGDDKKRIIDSARSAYQEAM DISKKEMPPTNPIRLGLALN FSVFHYEIANSPEEAISLAK TTFDEAMADLHTLSEDSYKD STLIMQLLRDNLTLWT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 ALA 3 -2 MET 4 -1 GLY 5 0 SER 6 1 MET 7 2 GLU 8 3 ARG 9 4 ALA 10 5 SER 11 6 LEU 12 7 ILE 13 8 GLN 14 9 LYS 15 10 ALA 16 11 LYS 17 12 LEU 18 13 ALA 19 14 GLU 20 15 GLN 21 16 ALA 22 17 GLU 23 18 ARG 24 19 TYR 25 20 GLU 26 21 ASP 27 22 MET 28 23 ALA 29 24 ALA 30 25 PHE 31 26 MET 32 27 LYS 33 28 GLY 34 29 ALA 35 30 VAL 36 31 GLU 37 32 LYS 38 33 GLY 39 34 GLU 40 35 GLU 41 36 LEU 42 37 SER 43 38 CYS 44 39 GLU 45 40 GLU 46 41 ARG 47 42 ASN 48 43 LEU 49 44 LEU 50 45 SER 51 46 VAL 52 47 ALA 53 48 TYR 54 49 LYS 55 50 ASN 56 51 VAL 57 52 VAL 58 53 GLY 59 54 GLY 60 55 GLN 61 56 ARG 62 57 ALA 63 58 ALA 64 59 TRP 65 60 ARG 66 61 VAL 67 62 LEU 68 63 SER 69 64 SER 70 65 ILE 71 66 GLU 72 67 GLN 73 68 LYS 74 69 SER 75 70 ASN 76 71 GLU 77 72 GLU 78 73 GLY 79 74 SER 80 75 GLU 81 76 GLU 82 77 LYS 83 78 GLY 84 79 PRO 85 80 GLU 86 81 VAL 87 82 ARG 88 83 GLU 89 84 TYR 90 85 ARG 91 86 GLU 92 87 LYS 93 88 VAL 94 89 GLU 95 90 THR 96 91 GLU 97 92 LEU 98 93 GLN 99 94 GLY 100 95 VAL 101 96 CYS 102 97 ASP 103 98 THR 104 99 VAL 105 100 LEU 106 101 GLY 107 102 LEU 108 103 LEU 109 104 ASP 110 105 SER 111 106 HIS 112 107 LEU 113 108 ILE 114 109 LYS 115 110 GLU 116 111 ALA 117 112 GLY 118 113 ASP 119 114 ALA 120 115 GLU 121 116 SER 122 117 ARG 123 118 VAL 124 119 PHE 125 120 TYR 126 121 LEU 127 122 LYS 128 123 MET 129 124 LYS 130 125 GLY 131 126 ASP 132 127 TYR 133 128 TYR 134 129 ARG 135 130 TYR 136 131 LEU 137 132 ALA 138 133 GLU 139 134 VAL 140 135 ALA 141 136 THR 142 137 GLY 143 138 ASP 144 139 ASP 145 140 LYS 146 141 LYS 147 142 ARG 148 143 ILE 149 144 ILE 150 145 ASP 151 146 SER 152 147 ALA 153 148 ARG 154 149 SER 155 150 ALA 156 151 TYR 157 152 GLN 158 153 GLU 159 154 ALA 160 155 MET 161 156 ASP 162 157 ILE 163 158 SER 164 159 LYS 165 160 LYS 166 161 GLU 167 162 MET 168 163 PRO 169 164 PRO 170 165 THR 171 166 ASN 172 167 PRO 173 168 ILE 174 169 ARG 175 170 LEU 176 171 GLY 177 172 LEU 178 173 ALA 179 174 LEU 180 175 ASN 181 176 PHE 182 177 SER 183 178 VAL 184 179 PHE 185 180 HIS 186 181 TYR 187 182 GLU 188 183 ILE 189 184 ALA 190 185 ASN 191 186 SER 192 187 PRO 193 188 GLU 194 189 GLU 195 190 ALA 196 191 ILE 197 192 SER 198 193 LEU 199 194 ALA 200 195 LYS 201 196 THR 202 197 THR 203 198 PHE 204 199 ASP 205 200 GLU 206 201 ALA 207 202 MET 208 203 ALA 209 204 ASP 210 205 LEU 211 206 HIS 212 207 THR 213 208 LEU 214 209 SER 215 210 GLU 216 211 ASP 217 212 SER 218 213 TYR 219 214 LYS 220 215 ASP 221 216 SER 222 217 THR 223 218 LEU 224 219 ILE 225 220 MET 226 221 GLN 227 222 LEU 228 223 LEU 229 224 ARG 230 225 ASP 231 226 ASN 232 227 LEU 233 228 THR 234 229 LEU 235 230 TRP 236 231 THR 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 $14-3-3_Sigma . . . . Homo sapiens 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 $14-3-3_Sigma 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pProExHtb stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $14-3-3_Sigma 0.9 mM 0.8 1 '[U-13C; U-15N; U-2H]' 'sodium phosphate' 100 mM . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' H2O 90 '% v/v' . . 'natural abundance' D2O 10 '% v/v' . . [U-2H] TMSP 0.1 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.12 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'chemical shift calculation' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_HMQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY HMQC' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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' 0.25 . M pH 6.8 . pH pressure 1 . atm temperature 305 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_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 TMSPA C 13 'methyl protons' ppm 0.00 internal indirect . . . 0.251449530 TMSPA H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 TMSPA N 15 'methyl protons' ppm 0.00 internal 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $TOPSPIN $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N TROSY HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D 1H-15N NOESY HMQC' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name '14-3-3_Sigma, chain 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 1 6 MET H H 8.384 0.007 1 2 1 6 MET C C 177.303 0.800 1 3 1 6 MET CA C 55.963 0.800 1 4 1 6 MET CB C 31.979 0.800 1 5 1 6 MET N N 123.556 0.440 1 6 2 7 GLU H H 8.389 0.007 1 7 2 7 GLU CA C 57.718 0.800 1 8 2 7 GLU CB C 28.902 0.800 1 9 2 7 GLU N N 121.029 0.440 1 10 4 9 ALA C C 181.025 0.800 1 11 4 9 ALA CA C 54.805 0.800 1 12 4 9 ALA CB C 17.237 0.800 1 13 5 10 SER H H 7.589 0.007 1 14 5 10 SER C C 176.247 0.800 1 15 5 10 SER CA C 61.353 0.800 1 16 5 10 SER CB C 62.613 0.800 1 17 5 10 SER N N 114.825 0.440 1 18 6 11 LEU H H 7.615 0.007 1 19 6 11 LEU C C 178.715 0.800 1 20 6 11 LEU CA C 57.912 0.800 1 21 6 11 LEU CB C 40.338 0.800 1 22 6 11 LEU N N 121.995 0.440 1 23 7 12 ILE H H 7.664 0.007 1 24 7 12 ILE C C 178.163 0.800 1 25 7 12 ILE CA C 62.125 0.800 1 26 7 12 ILE CB C 34.729 0.800 1 27 7 12 ILE N N 118.193 0.440 1 28 8 13 GLN H H 7.827 0.007 1 29 8 13 GLN CA C 58.270 0.800 1 30 8 13 GLN CB C 27.450 0.800 1 31 8 13 GLN N N 118.233 0.440 1 32 15 20 GLN C C 177.908 0.800 1 33 15 20 GLN CA C 58.652 0.800 1 34 15 20 GLN CB C 27.991 0.800 1 35 16 21 ALA H H 7.898 0.007 1 36 16 21 ALA C C 174.286 0.800 1 37 16 21 ALA CA C 51.323 0.800 1 38 16 21 ALA CB C 17.396 0.800 1 39 16 21 ALA N N 118.673 0.440 1 40 17 22 GLU H H 7.644 0.007 1 41 17 22 GLU C C 174.894 0.800 1 42 17 22 GLU CA C 56.973 0.800 1 43 17 22 GLU CB C 26.018 0.800 1 44 17 22 GLU N N 115.490 0.440 1 45 18 23 ARG H H 8.115 0.007 1 46 18 23 ARG C C 177.385 0.800 1 47 18 23 ARG CA C 52.360 0.800 1 48 18 23 ARG CB C 27.465 0.800 1 49 18 23 ARG N N 121.050 0.440 1 50 19 24 TYR H H 7.395 0.007 1 51 19 24 TYR C C 176.936 0.800 1 52 19 24 TYR CA C 62.570 0.800 1 53 19 24 TYR CB C 36.239 0.800 1 54 19 24 TYR N N 120.118 0.440 1 55 20 25 GLU H H 8.599 0.007 1 56 20 25 GLU CA C 60.312 0.800 1 57 20 25 GLU CB C 27.401 0.800 1 58 20 25 GLU N N 120.277 0.440 1 59 22 27 MET C C 177.223 0.800 1 60 22 27 MET CA C 59.694 0.800 1 61 23 28 ALA H H 8.304 0.007 1 62 23 28 ALA C C 177.947 0.800 1 63 23 28 ALA CA C 54.702 0.800 1 64 23 28 ALA CB C 15.216 0.800 1 65 23 28 ALA N N 120.825 0.440 1 66 24 29 ALA H H 7.368 0.007 1 67 24 29 ALA CA C 54.886 0.800 1 68 24 29 ALA CB C 17.037 0.800 1 69 24 29 ALA N N 121.037 0.440 1 70 25 30 PHE C C 174.384 0.800 1 71 25 30 PHE CA C 58.755 0.800 1 72 25 30 PHE CB C 37.388 0.800 1 73 26 31 MET H H 8.112 0.007 1 74 26 31 MET C C 179.129 0.800 1 75 26 31 MET CA C 54.560 0.800 1 76 26 31 MET CB C 27.532 0.800 1 77 26 31 MET N N 115.858 0.440 1 78 27 32 LYS H H 8.981 0.007 1 79 27 32 LYS C C 178.371 0.800 1 80 27 32 LYS CA C 60.026 0.800 1 81 27 32 LYS CB C 30.949 0.800 1 82 27 32 LYS N N 123.577 0.440 1 83 28 33 GLY H H 7.803 0.007 1 84 28 33 GLY C C 176.704 0.800 1 85 28 33 GLY CA C 46.689 0.800 1 86 28 33 GLY N N 103.864 0.440 1 87 29 34 ALA H H 8.308 0.007 1 88 29 34 ALA C C 181.177 0.800 1 89 29 34 ALA CA C 55.064 0.800 1 90 29 34 ALA CB C 17.097 0.800 1 91 29 34 ALA N N 123.832 0.440 1 92 30 35 VAL H H 8.712 0.007 1 93 30 35 VAL C C 178.465 0.800 1 94 30 35 VAL CA C 66.371 0.800 1 95 30 35 VAL CB C 30.379 0.800 1 96 30 35 VAL N N 121.600 0.440 1 97 31 36 GLU H H 7.779 0.007 1 98 31 36 GLU C C 177.121 0.800 1 99 31 36 GLU CA C 57.725 0.800 1 100 31 36 GLU CB C 28.182 0.800 1 101 31 36 GLU N N 116.713 0.440 1 102 32 37 LYS H H 7.220 0.007 1 103 32 37 LYS C C 178.643 0.800 1 104 32 37 LYS CA C 55.674 0.800 1 105 32 37 LYS CB C 30.398 0.800 1 106 32 37 LYS N N 117.016 0.440 1 107 33 38 GLY H H 7.756 0.007 1 108 33 38 GLY C C 173.700 0.800 1 109 33 38 GLY CA C 46.056 0.800 1 110 33 38 GLY N N 105.331 0.440 1 111 34 39 GLU H H 7.482 0.007 1 112 34 39 GLU C C 177.134 0.800 1 113 34 39 GLU CA C 55.037 0.800 1 114 34 39 GLU CB C 29.934 0.800 1 115 34 39 GLU N N 118.065 0.440 1 116 35 40 GLU H H 8.616 0.007 1 117 35 40 GLU C C 175.498 0.800 1 118 35 40 GLU CA C 56.697 0.800 1 119 35 40 GLU CB C 29.809 0.800 1 120 35 40 GLU N N 123.639 0.440 1 121 36 41 LEU H H 8.551 0.007 1 122 36 41 LEU C C 178.344 0.800 1 123 36 41 LEU CA C 53.477 0.800 1 124 36 41 LEU CB C 41.155 0.800 1 125 36 41 LEU N N 121.960 0.440 1 126 37 42 SER H H 8.966 0.007 1 127 37 42 SER CA C 56.515 0.800 1 128 37 42 SER CB C 64.848 0.800 1 129 37 42 SER N N 119.790 0.440 1 130 39 44 GLU C C 179.441 0.800 1 131 39 44 GLU CA C 59.065 0.800 1 132 39 44 GLU CB C 28.948 0.800 1 133 40 45 GLU H H 7.535 0.007 1 134 40 45 GLU C C 178.368 0.800 1 135 40 45 GLU CA C 58.683 0.800 1 136 40 45 GLU CB C 29.263 0.800 1 137 40 45 GLU N N 119.863 0.440 1 138 41 46 ARG H H 8.792 0.007 1 139 41 46 ARG C C 178.085 0.800 1 140 41 46 ARG CA C 59.252 0.800 1 141 41 46 ARG CB C 28.365 0.800 1 142 41 46 ARG N N 120.180 0.440 1 143 42 47 ASN H H 7.385 0.007 1 144 42 47 ASN C C 177.170 0.800 1 145 42 47 ASN CA C 56.524 0.800 1 146 42 47 ASN CB C 37.639 0.800 1 147 42 47 ASN N N 118.658 0.440 1 148 43 48 LEU H H 7.759 0.007 1 149 43 48 LEU C C 178.847 0.800 1 150 43 48 LEU CA C 57.782 0.800 1 151 43 48 LEU CB C 41.379 0.800 1 152 43 48 LEU N N 120.237 0.440 1 153 44 49 LEU H H 7.915 0.007 1 154 44 49 LEU C C 177.039 0.800 1 155 44 49 LEU CA C 58.303 0.800 1 156 44 49 LEU CB C 41.371 0.800 1 157 44 49 LEU N N 118.176 0.440 1 158 45 50 SER H H 7.964 0.007 1 159 45 50 SER C C 177.805 0.800 1 160 45 50 SER CA C 60.647 0.800 1 161 45 50 SER CB C 62.969 0.800 1 162 45 50 SER N N 109.991 0.440 1 163 46 51 VAL H H 8.837 0.007 1 164 46 51 VAL C C 178.316 0.800 1 165 46 51 VAL CA C 66.004 0.800 1 166 46 51 VAL CB C 31.497 0.800 1 167 46 51 VAL N N 121.455 0.440 1 168 47 52 ALA H H 8.009 0.007 1 169 47 52 ALA C C 178.905 0.800 1 170 47 52 ALA CA C 56.431 0.800 1 171 47 52 ALA CB C 17.084 0.800 1 172 47 52 ALA N N 122.467 0.440 1 173 48 53 TYR H H 7.439 0.007 1 174 48 53 TYR C C 177.902 0.800 1 175 48 53 TYR CA C 64.136 0.800 1 176 48 53 TYR CB C 37.566 0.800 1 177 48 53 TYR N N 113.049 0.440 1 178 49 54 LYS H H 8.517 0.007 1 179 49 54 LYS C C 180.580 0.800 1 180 49 54 LYS CA C 59.106 0.800 1 181 49 54 LYS CB C 30.987 0.800 1 182 49 54 LYS N N 120.494 0.440 1 183 50 55 ASN H H 7.614 0.007 1 184 50 55 ASN C C 178.143 0.800 1 185 50 55 ASN CA C 56.113 0.800 1 186 50 55 ASN CB C 38.702 0.800 1 187 50 55 ASN N N 117.537 0.440 1 188 51 56 VAL H H 7.714 0.007 1 189 51 56 VAL C C 179.199 0.800 1 190 51 56 VAL CA C 66.519 0.800 1 191 51 56 VAL CB C 31.646 0.800 1 192 51 56 VAL N N 121.987 0.440 1 193 52 57 VAL H H 8.958 0.007 1 194 52 57 VAL C C 178.601 0.800 1 195 52 57 VAL CA C 64.146 0.800 1 196 52 57 VAL CB C 31.118 0.800 1 197 52 57 VAL N N 119.377 0.440 1 198 53 58 GLY H H 8.240 0.007 1 199 53 58 GLY C C 177.669 0.800 1 200 53 58 GLY CA C 46.985 0.800 1 201 53 58 GLY N N 110.433 0.440 1 202 54 59 GLY H H 7.550 0.007 1 203 54 59 GLY C C 177.033 0.800 1 204 54 59 GLY CA C 46.775 0.800 1 205 54 59 GLY N N 108.704 0.440 1 206 55 60 GLN H H 7.245 0.007 1 207 55 60 GLN C C 178.147 0.800 1 208 55 60 GLN CA C 58.740 0.800 1 209 55 60 GLN CB C 28.187 0.800 1 210 55 60 GLN N N 122.982 0.440 1 211 56 61 ARG H H 9.048 0.007 1 212 56 61 ARG C C 178.903 0.800 1 213 56 61 ARG CA C 58.881 0.800 1 214 56 61 ARG CB C 30.363 0.800 1 215 56 61 ARG N N 119.925 0.440 1 216 57 62 ALA H H 7.870 0.007 1 217 57 62 ALA C C 180.625 0.800 1 218 57 62 ALA CA C 54.972 0.800 1 219 57 62 ALA CB C 17.224 0.800 1 220 57 62 ALA N N 120.830 0.440 1 221 58 63 ALA H H 7.701 0.007 1 222 58 63 ALA C C 178.740 0.800 1 223 58 63 ALA CA C 54.734 0.800 1 224 58 63 ALA CB C 18.183 0.800 1 225 58 63 ALA N N 120.357 0.440 1 226 59 64 TRP H H 8.982 0.007 1 227 59 64 TRP C C 178.860 0.800 1 228 59 64 TRP CA C 63.230 0.800 1 229 59 64 TRP CB C 28.274 0.800 1 230 59 64 TRP N N 119.908 0.440 1 231 60 65 ARG H H 8.696 0.007 1 232 60 65 ARG C C 179.853 0.800 1 233 60 65 ARG CA C 59.890 0.800 1 234 60 65 ARG CB C 29.285 0.800 1 235 60 65 ARG N N 119.666 0.440 1 236 61 66 VAL H H 7.767 0.007 1 237 61 66 VAL C C 178.793 0.800 1 238 61 66 VAL CA C 66.106 0.800 1 239 61 66 VAL CB C 30.987 0.800 1 240 61 66 VAL N N 121.267 0.440 1 241 62 67 LEU H H 8.156 0.007 1 242 62 67 LEU C C 178.498 0.800 1 243 62 67 LEU CA C 57.315 0.800 1 244 62 67 LEU CB C 40.617 0.800 1 245 62 67 LEU N N 119.802 0.440 1 246 63 68 SER H H 8.521 0.007 1 247 63 68 SER CA C 60.889 0.800 1 248 63 68 SER CB C 61.993 0.800 1 249 63 68 SER N N 114.266 0.440 1 250 64 69 SER C C 176.945 0.800 1 251 64 69 SER CA C 61.079 0.800 1 252 64 69 SER CB C 62.171 0.800 1 253 65 70 ILE H H 7.698 0.007 1 254 65 70 ILE C C 178.847 0.800 1 255 65 70 ILE CA C 64.873 0.800 1 256 65 70 ILE CB C 37.499 0.800 1 257 65 70 ILE N N 123.806 0.440 1 258 66 71 GLU H H 8.306 0.007 1 259 66 71 GLU C C 178.666 0.800 1 260 66 71 GLU CA C 59.044 0.800 1 261 66 71 GLU CB C 29.562 0.800 1 262 66 71 GLU N N 122.772 0.440 1 263 67 72 GLN H H 7.980 0.007 1 264 67 72 GLN C C 178.128 0.800 1 265 67 72 GLN CA C 57.659 0.800 1 266 67 72 GLN CB C 27.675 0.800 1 267 67 72 GLN N N 117.302 0.440 1 268 68 73 LYS H H 7.720 0.007 1 269 68 73 LYS C C 178.284 0.800 1 270 68 73 LYS CA C 57.712 0.800 1 271 68 73 LYS CB C 31.277 0.800 1 272 68 73 LYS N N 120.112 0.440 1 273 69 74 SER H H 8.070 0.007 1 274 69 74 SER C C 175.074 0.800 1 275 69 74 SER CA C 59.833 0.800 1 276 69 74 SER CB C 62.748 0.800 1 277 69 74 SER N N 115.853 0.440 1 278 70 75 ASN H H 7.992 0.007 1 279 70 75 ASN C C 176.174 0.800 1 280 70 75 ASN CA C 53.686 0.800 1 281 70 75 ASN CB C 38.386 0.800 1 282 70 75 ASN N N 119.701 0.440 1 283 71 76 GLU H H 7.972 0.007 1 284 71 76 GLU C C 176.702 0.800 1 285 71 76 GLU CA C 56.850 0.800 1 286 71 76 GLU CB C 29.426 0.800 1 287 71 76 GLU N N 120.772 0.440 1 288 72 77 GLU H H 8.329 0.007 1 289 72 77 GLU C C 177.474 0.800 1 290 72 77 GLU CA C 56.490 0.800 1 291 72 77 GLU CB C 29.139 0.800 1 292 72 77 GLU N N 121.338 0.440 1 293 73 78 GLY H H 8.322 0.007 1 294 73 78 GLY C C 174.651 0.800 1 295 73 78 GLY CA C 45.243 0.800 1 296 73 78 GLY N N 110.696 0.440 1 297 74 79 SER H H 7.974 0.007 1 298 74 79 SER C C 175.080 0.800 1 299 74 79 SER CA C 57.871 0.800 1 300 74 79 SER CB C 63.425 0.800 1 301 74 79 SER N N 115.631 0.440 1 302 75 80 GLU H H 8.575 0.007 1 303 75 80 GLU C C 176.702 0.800 1 304 75 80 GLU CA C 56.653 0.800 1 305 75 80 GLU CB C 29.296 0.800 1 306 75 80 GLU N N 123.382 0.440 1 307 76 81 GLU H H 8.328 0.007 1 308 76 81 GLU C C 176.427 0.800 1 309 76 81 GLU CA C 56.490 0.800 1 310 76 81 GLU CB C 29.139 0.800 1 311 76 81 GLU N N 121.333 0.440 1 312 77 82 LYS H H 8.195 0.007 1 313 77 82 LYS C C 176.809 0.800 1 314 77 82 LYS CA C 55.641 0.800 1 315 77 82 LYS CB C 32.166 0.800 1 316 77 82 LYS N N 122.640 0.440 1 317 78 83 GLY H H 8.317 0.007 1 318 78 83 GLY CA C 45.037 0.800 1 319 78 83 GLY N N 109.963 0.440 1 320 79 84 PRO C C 177.492 0.800 1 321 79 84 PRO CA C 64.095 0.800 1 322 79 84 PRO CB C 31.502 0.800 1 323 80 85 GLU H H 8.964 0.007 1 324 80 85 GLU C C 178.075 0.800 1 325 80 85 GLU CA C 60.982 0.800 1 326 80 85 GLU CB C 27.299 0.800 1 327 80 85 GLU N N 119.524 0.440 1 328 81 86 VAL H H 7.832 0.007 1 329 81 86 VAL C C 176.437 0.800 1 330 81 86 VAL CA C 65.360 0.800 1 331 81 86 VAL CB C 29.931 0.800 1 332 81 86 VAL N N 117.526 0.440 1 333 82 87 ARG H H 7.668 0.007 1 334 82 87 ARG C C 178.206 0.800 1 335 82 87 ARG CA C 59.100 0.800 1 336 82 87 ARG CB C 28.722 0.800 1 337 82 87 ARG N N 121.578 0.440 1 338 83 88 GLU H H 8.065 0.007 1 339 83 88 GLU CA C 58.751 0.800 1 340 83 88 GLU CB C 29.107 0.800 1 341 83 88 GLU N N 116.518 0.440 1 342 84 89 TYR C C 177.159 0.800 1 343 84 89 TYR CA C 58.807 0.800 1 344 84 89 TYR CB C 37.556 0.800 1 345 85 90 ARG H H 8.778 0.007 1 346 85 90 ARG C C 179.316 0.800 1 347 85 90 ARG CA C 60.950 0.800 1 348 85 90 ARG CB C 26.587 0.800 1 349 85 90 ARG N N 121.605 0.440 1 350 86 91 GLU H H 8.590 0.007 1 351 86 91 GLU C C 179.041 0.800 1 352 86 91 GLU CA C 59.577 0.800 1 353 86 91 GLU CB C 28.689 0.800 1 354 86 91 GLU N N 118.282 0.440 1 355 87 92 LYS H H 7.737 0.007 1 356 87 92 LYS C C 179.390 0.800 1 357 87 92 LYS CA C 59.395 0.800 1 358 87 92 LYS CB C 31.452 0.800 1 359 87 92 LYS N N 123.143 0.440 1 360 88 93 VAL H H 8.000 0.007 1 361 88 93 VAL C C 177.825 0.800 1 362 88 93 VAL CA C 66.479 0.800 1 363 88 93 VAL CB C 31.717 0.800 1 364 88 93 VAL N N 120.873 0.440 1 365 89 94 GLU H H 8.968 0.007 1 366 89 94 GLU C C 178.175 0.800 1 367 89 94 GLU CA C 60.393 0.800 1 368 89 94 GLU CB C 30.757 0.800 1 369 89 94 GLU N N 120.342 0.440 1 370 90 95 THR H H 8.312 0.007 1 371 90 95 THR C C 177.756 0.800 1 372 90 95 THR CA C 65.868 0.800 1 373 90 95 THR CB C 68.639 0.800 1 374 90 95 THR N N 114.368 0.440 1 375 91 96 GLU H H 7.883 0.007 1 376 91 96 GLU C C 179.389 0.800 1 377 91 96 GLU CA C 59.286 0.800 1 378 91 96 GLU CB C 28.751 0.800 1 379 91 96 GLU N N 125.574 0.440 1 380 92 97 LEU H H 8.457 0.007 1 381 92 97 LEU C C 179.695 0.800 1 382 92 97 LEU CA C 58.132 0.800 1 383 92 97 LEU CB C 41.616 0.800 1 384 92 97 LEU N N 124.633 0.440 1 385 93 98 GLN H H 8.695 0.007 1 386 93 98 GLN C C 178.330 0.800 1 387 93 98 GLN CA C 58.615 0.800 1 388 93 98 GLN CB C 27.018 0.800 1 389 93 98 GLN N N 119.799 0.440 1 390 94 99 GLY H H 8.088 0.007 1 391 94 99 GLY C C 177.293 0.800 1 392 94 99 GLY CA C 46.879 0.800 1 393 94 99 GLY N N 106.007 0.440 1 394 95 100 VAL H H 8.009 0.007 1 395 95 100 VAL CA C 66.690 0.800 1 396 95 100 VAL CB C 30.614 0.800 1 397 95 100 VAL N N 124.846 0.440 1 398 96 101 CYS C C 176.551 0.800 1 399 96 101 CYS CA C 64.283 0.800 1 400 96 101 CYS CB C 26.427 0.800 1 401 97 102 ASP H H 8.857 0.007 1 402 97 102 ASP C C 179.993 0.800 1 403 97 102 ASP CA C 57.247 0.800 1 404 97 102 ASP CB C 39.844 0.800 1 405 97 102 ASP N N 118.802 0.440 1 406 98 103 THR H H 7.949 0.007 1 407 98 103 THR C C 176.571 0.800 1 408 98 103 THR CA C 66.406 0.800 1 409 98 103 THR CB C 67.644 0.800 1 410 98 103 THR N N 119.744 0.440 1 411 99 104 VAL H H 7.805 0.007 1 412 99 104 VAL C C 177.500 0.800 1 413 99 104 VAL CA C 66.642 0.800 1 414 99 104 VAL CB C 30.332 0.800 1 415 99 104 VAL N N 124.109 0.440 1 416 100 105 LEU H H 8.419 0.007 1 417 100 105 LEU C C 179.430 0.800 1 418 100 105 LEU CA C 57.842 0.800 1 419 100 105 LEU CB C 40.137 0.800 1 420 100 105 LEU N N 119.780 0.440 1 421 101 106 GLY H H 8.060 0.007 1 422 101 106 GLY C C 176.791 0.800 1 423 101 106 GLY CA C 46.720 0.800 1 424 101 106 GLY N N 106.525 0.440 1 425 102 107 LEU H H 7.833 0.007 1 426 102 107 LEU CA C 57.610 0.800 1 427 102 107 LEU CB C 41.601 0.800 1 428 102 107 LEU N N 123.874 0.440 1 429 103 108 LEU C C 177.913 0.800 1 430 103 108 LEU CA C 58.029 0.800 1 431 103 108 LEU CB C 40.357 0.800 1 432 104 109 ASP H H 8.118 0.007 1 433 104 109 ASP C C 178.878 0.800 1 434 104 109 ASP CA C 56.729 0.800 1 435 104 109 ASP CB C 40.391 0.800 1 436 104 109 ASP N N 117.106 0.440 1 437 105 110 SER H H 8.486 0.007 1 438 105 110 SER C C 174.729 0.800 1 439 105 110 SER CA C 60.483 0.800 1 440 105 110 SER CB C 62.670 0.800 1 441 105 110 SER N N 113.378 0.440 1 442 106 111 HIS H H 7.392 0.007 1 443 106 111 HIS C C 175.499 0.800 1 444 106 111 HIS CA C 57.674 0.800 1 445 106 111 HIS CB C 33.046 0.800 1 446 106 111 HIS N N 115.373 0.440 1 447 107 112 LEU H H 7.294 0.007 1 448 107 112 LEU C C 177.941 0.800 1 449 107 112 LEU CA C 57.216 0.800 1 450 107 112 LEU CB C 40.304 0.800 1 451 107 112 LEU N N 116.939 0.440 1 452 108 113 ILE H H 8.557 0.007 1 453 108 113 ILE CA C 64.361 0.800 1 454 108 113 ILE CB C 36.380 0.800 1 455 108 113 ILE N N 119.631 0.440 1 456 110 115 GLU C C 176.024 0.800 1 457 110 115 GLU CA C 56.374 0.800 1 458 110 115 GLU CB C 28.700 0.800 1 459 111 116 ALA H H 7.414 0.007 1 460 111 116 ALA C C 178.164 0.800 1 461 111 116 ALA CA C 51.800 0.800 1 462 111 116 ALA CB C 18.371 0.800 1 463 111 116 ALA N N 121.263 0.440 1 464 112 117 GLY H H 8.290 0.007 1 465 112 117 GLY C C 173.450 0.800 1 466 112 117 GLY CA C 44.786 0.800 1 467 112 117 GLY N N 108.870 0.440 1 468 113 118 ASP H H 8.002 0.007 1 469 113 118 ASP C C 175.789 0.800 1 470 113 118 ASP CA C 52.789 0.800 1 471 113 118 ASP CB C 41.752 0.800 1 472 113 118 ASP N N 118.293 0.440 1 473 114 119 ALA H H 8.742 0.007 1 474 114 119 ALA C C 178.616 0.800 1 475 114 119 ALA CA C 55.401 0.800 1 476 114 119 ALA CB C 17.866 0.800 1 477 114 119 ALA N N 124.565 0.440 1 478 115 120 GLU H H 8.317 0.007 1 479 115 120 GLU CA C 60.398 0.800 1 480 115 120 GLU CB C 28.383 0.800 1 481 115 120 GLU N N 116.691 0.440 1 482 117 122 ARG C C 179.127 0.800 1 483 117 122 ARG CA C 60.512 0.800 1 484 117 122 ARG CB C 29.864 0.800 1 485 118 123 VAL H H 8.543 0.007 1 486 118 123 VAL C C 176.710 0.800 1 487 118 123 VAL CA C 66.982 0.800 1 488 118 123 VAL CB C 30.424 0.800 1 489 118 123 VAL N N 117.605 0.440 1 490 119 124 PHE H H 8.208 0.007 1 491 119 124 PHE C C 178.874 0.800 1 492 119 124 PHE CA C 62.052 0.800 1 493 119 124 PHE CB C 38.568 0.800 1 494 119 124 PHE N N 120.351 0.440 1 495 120 125 TYR H H 8.433 0.007 1 496 120 125 TYR CA C 59.642 0.800 1 497 120 125 TYR CB C 38.014 0.800 1 498 120 125 TYR N N 117.787 0.440 1 499 124 129 LYS C C 177.218 0.800 1 500 124 129 LYS CA C 59.477 0.800 1 501 124 129 LYS CB C 31.560 0.800 1 502 125 130 GLY H H 7.790 0.007 1 503 125 130 GLY C C 174.289 0.800 1 504 125 130 GLY CA C 46.885 0.800 1 505 125 130 GLY N N 105.793 0.440 1 506 126 131 ASP H H 8.514 0.007 1 507 126 131 ASP CA C 56.567 0.800 1 508 126 131 ASP CB C 39.244 0.800 1 509 126 131 ASP N N 120.403 0.440 1 510 132 137 ALA C C 179.009 0.800 1 511 132 137 ALA CA C 54.232 0.800 1 512 132 137 ALA CB C 17.237 0.800 1 513 133 138 GLU H H 7.598 0.007 1 514 133 138 GLU C C 177.885 0.800 1 515 133 138 GLU CA C 58.758 0.800 1 516 133 138 GLU CB C 29.328 0.800 1 517 133 138 GLU N N 115.034 0.440 1 518 134 139 VAL H H 6.511 0.007 1 519 134 139 VAL C C 174.985 0.800 1 520 134 139 VAL CA C 59.629 0.800 1 521 134 139 VAL CB C 30.824 0.800 1 522 134 139 VAL N N 106.584 0.440 1 523 135 140 ALA H H 7.113 0.007 1 524 135 140 ALA C C 176.321 0.800 1 525 135 140 ALA CA C 51.169 0.800 1 526 135 140 ALA CB C 20.029 0.800 1 527 135 140 ALA N N 125.090 0.440 1 528 136 141 THR H H 8.476 0.007 1 529 136 141 THR C C 175.695 0.800 1 530 136 141 THR CA C 59.840 0.800 1 531 136 141 THR CB C 71.981 0.800 1 532 136 141 THR N N 109.415 0.440 1 533 137 142 GLY H H 8.622 0.007 1 534 137 142 GLY CA C 46.044 0.800 1 535 137 142 GLY N N 108.664 0.440 1 536 138 143 ASP C C 178.523 0.800 1 537 138 143 ASP CA C 56.762 0.800 1 538 138 143 ASP CB C 39.886 0.800 1 539 139 144 ASP H H 8.272 0.007 1 540 139 144 ASP C C 177.458 0.800 1 541 139 144 ASP CA C 56.735 0.800 1 542 139 144 ASP CB C 40.022 0.800 1 543 139 144 ASP N N 119.911 0.440 1 544 140 145 LYS H H 7.014 0.007 1 545 140 145 LYS C C 177.399 0.800 1 546 140 145 LYS CA C 59.822 0.800 1 547 140 145 LYS CB C 31.396 0.800 1 548 140 145 LYS N N 119.019 0.440 1 549 141 146 LYS H H 7.295 0.007 1 550 141 146 LYS C C 178.447 0.800 1 551 141 146 LYS CA C 59.689 0.800 1 552 141 146 LYS CB C 31.326 0.800 1 553 141 146 LYS N N 117.072 0.440 1 554 142 147 ARG H H 7.502 0.007 1 555 142 147 ARG C C 179.175 0.800 1 556 142 147 ARG CA C 58.869 0.800 1 557 142 147 ARG CB C 28.951 0.800 1 558 142 147 ARG N N 118.774 0.440 1 559 143 148 ILE H H 7.972 0.007 1 560 143 148 ILE C C 178.272 0.800 1 561 143 148 ILE CA C 64.818 0.800 1 562 143 148 ILE CB C 37.450 0.800 1 563 143 148 ILE N N 122.171 0.440 1 564 144 149 ILE H H 8.544 0.007 1 565 144 149 ILE C C 177.994 0.800 1 566 144 149 ILE CA C 66.585 0.800 1 567 144 149 ILE CB C 36.873 0.800 1 568 144 149 ILE N N 121.919 0.440 1 569 145 150 ASP H H 7.835 0.007 1 570 145 150 ASP C C 179.464 0.800 1 571 145 150 ASP CA C 57.178 0.800 1 572 145 150 ASP CB C 39.568 0.800 1 573 145 150 ASP N N 119.690 0.440 1 574 146 151 SER H H 7.813 0.007 1 575 146 151 SER C C 176.333 0.800 1 576 146 151 SER CA C 62.129 0.800 1 577 146 151 SER CB C 60.466 0.800 1 578 146 151 SER N N 118.727 0.440 1 579 147 152 ALA H H 8.182 0.007 1 580 147 152 ALA C C 177.397 0.800 1 581 147 152 ALA CA C 54.816 0.800 1 582 147 152 ALA CB C 17.279 0.800 1 583 147 152 ALA N N 125.711 0.440 1 584 148 153 ARG H H 8.405 0.007 1 585 148 153 ARG C C 177.748 0.800 1 586 148 153 ARG CA C 59.568 0.800 1 587 148 153 ARG CB C 29.438 0.800 1 588 148 153 ARG N N 116.817 0.440 1 589 149 154 SER H H 8.002 0.007 1 590 149 154 SER C C 176.961 0.800 1 591 149 154 SER CA C 61.276 0.800 1 592 149 154 SER CB C 62.375 0.800 1 593 149 154 SER N N 111.956 0.440 1 594 150 155 ALA H H 7.203 0.007 1 595 150 155 ALA CA C 54.912 0.800 1 596 150 155 ALA CB C 16.246 0.800 1 597 150 155 ALA N N 125.377 0.440 1 598 159 164 LYS C C 178.165 0.800 1 599 159 164 LYS CA C 58.794 0.800 1 600 159 164 LYS CB C 31.426 0.800 1 601 160 165 LYS H H 7.249 0.007 1 602 160 165 LYS C C 178.739 0.800 1 603 160 165 LYS CA C 57.566 0.800 1 604 160 165 LYS CB C 33.211 0.800 1 605 160 165 LYS N N 117.266 0.440 1 606 161 166 GLU H H 7.946 0.007 1 607 161 166 GLU C C 176.611 0.800 1 608 161 166 GLU CA C 56.580 0.800 1 609 161 166 GLU CB C 31.719 0.800 1 610 161 166 GLU N N 113.393 0.440 1 611 162 167 MET H H 8.104 0.007 1 612 162 167 MET CA C 52.906 0.800 1 613 162 167 MET CB C 34.269 0.800 1 614 162 167 MET N N 117.937 0.440 1 615 164 169 PRO C C 175.662 0.800 1 616 164 169 PRO CA C 64.653 0.800 1 617 164 169 PRO CB C 31.845 0.800 1 618 165 170 THR H H 6.814 0.007 1 619 165 170 THR C C 174.116 0.800 1 620 165 170 THR CA C 60.070 0.800 1 621 165 170 THR CB C 68.616 0.800 1 622 165 170 THR N N 99.876 0.440 1 623 166 171 ASN H H 7.703 0.007 1 624 166 171 ASN CA C 52.273 0.800 1 625 166 171 ASN CB C 40.137 0.800 1 626 166 171 ASN N N 124.504 0.440 1 627 167 172 PRO C C 179.376 0.800 1 628 167 172 PRO CA C 65.440 0.800 1 629 167 172 PRO CB C 31.497 0.800 1 630 168 173 ILE H H 8.304 0.007 1 631 168 173 ILE C C 178.000 0.800 1 632 168 173 ILE CA C 63.658 0.800 1 633 168 173 ILE CB C 35.247 0.800 1 634 168 173 ILE N N 122.012 0.440 1 635 169 174 ARG H H 7.454 0.007 1 636 169 174 ARG C C 177.854 0.800 1 637 169 174 ARG CA C 59.565 0.800 1 638 169 174 ARG CB C 29.349 0.800 1 639 169 174 ARG N N 122.047 0.440 1 640 170 175 LEU H H 8.509 0.007 1 641 170 175 LEU C C 178.656 0.800 1 642 170 175 LEU CA C 57.680 0.800 1 643 170 175 LEU CB C 41.863 0.800 1 644 170 175 LEU N N 117.565 0.440 1 645 171 176 GLY H H 8.376 0.007 1 646 171 176 GLY C C 176.129 0.800 1 647 171 176 GLY CA C 46.445 0.800 1 648 171 176 GLY N N 106.983 0.440 1 649 172 177 LEU H H 8.054 0.007 1 650 172 177 LEU C C 176.759 0.800 1 651 172 177 LEU CA C 57.753 0.800 1 652 172 177 LEU CB C 40.271 0.800 1 653 172 177 LEU N N 123.739 0.440 1 654 173 178 ALA H H 7.964 0.007 1 655 173 178 ALA C C 180.710 0.800 1 656 173 178 ALA CA C 55.347 0.800 1 657 173 178 ALA CB C 19.025 0.800 1 658 173 178 ALA N N 121.640 0.440 1 659 174 179 LEU H H 8.542 0.007 1 660 174 179 LEU C C 180.479 0.800 1 661 174 179 LEU CA C 58.216 0.800 1 662 174 179 LEU CB C 40.261 0.800 1 663 174 179 LEU N N 119.805 0.440 1 664 175 180 ASN H H 8.115 0.007 1 665 175 180 ASN C C 177.974 0.800 1 666 175 180 ASN CA C 55.632 0.800 1 667 175 180 ASN CB C 36.047 0.800 1 668 175 180 ASN N N 119.972 0.440 1 669 176 181 PHE H H 9.057 0.007 1 670 176 181 PHE C C 177.231 0.800 1 671 176 181 PHE CA C 55.078 0.800 1 672 176 181 PHE CB C 36.721 0.800 1 673 176 181 PHE N N 122.208 0.440 1 674 177 182 SER H H 8.664 0.007 1 675 177 182 SER C C 175.747 0.800 1 676 177 182 SER CA C 63.755 0.800 1 677 177 182 SER CB C 62.177 0.800 1 678 177 182 SER N N 116.973 0.440 1 679 178 183 VAL H H 8.248 0.007 1 680 178 183 VAL CA C 67.002 0.800 1 681 178 183 VAL CB C 30.807 0.800 1 682 178 183 VAL N N 123.565 0.440 1 683 180 185 HIS C C 176.630 0.800 1 684 180 185 HIS CA C 58.872 0.800 1 685 180 185 HIS CB C 30.532 0.800 1 686 181 186 TYR H H 7.851 0.007 1 687 181 186 TYR C C 177.324 0.800 1 688 181 186 TYR CA C 62.624 0.800 1 689 181 186 TYR CB C 39.060 0.800 1 690 181 186 TYR N N 118.137 0.440 1 691 182 187 GLU H H 9.035 0.007 1 692 182 187 GLU CA C 57.691 0.800 1 693 182 187 GLU CB C 30.469 0.800 1 694 182 187 GLU N N 113.896 0.440 1 695 183 188 ILE C C 176.429 0.800 1 696 183 188 ILE CA C 59.198 0.800 1 697 183 188 ILE CB C 34.915 0.800 1 698 184 189 ALA H H 7.331 0.007 1 699 184 189 ALA C C 176.684 0.800 1 700 184 189 ALA CA C 51.606 0.800 1 701 184 189 ALA CB C 18.348 0.800 1 702 184 189 ALA N N 118.861 0.440 1 703 185 190 ASN H H 7.007 0.007 1 704 185 190 ASN C C 173.586 0.800 1 705 185 190 ASN CA C 53.490 0.800 1 706 185 190 ASN CB C 36.403 0.800 1 707 185 190 ASN N N 113.840 0.440 1 708 186 191 SER H H 8.432 0.007 1 709 186 191 SER CA C 53.472 0.800 1 710 186 191 SER CB C 62.482 0.800 1 711 186 191 SER N N 112.170 0.440 1 712 187 192 PRO C C 177.962 0.800 1 713 187 192 PRO CA C 64.819 0.800 1 714 187 192 PRO CB C 30.728 0.800 1 715 188 193 GLU H H 8.503 0.007 1 716 188 193 GLU C C 180.087 0.800 1 717 188 193 GLU CA C 59.806 0.800 1 718 188 193 GLU CB C 27.654 0.800 1 719 188 193 GLU N N 116.219 0.440 1 720 189 194 GLU H H 7.179 0.007 1 721 189 194 GLU C C 178.781 0.800 1 722 189 194 GLU CA C 58.374 0.800 1 723 189 194 GLU CB C 27.761 0.800 1 724 189 194 GLU N N 119.119 0.440 1 725 190 195 ALA H H 7.382 0.007 1 726 190 195 ALA C C 178.941 0.800 1 727 190 195 ALA CA C 55.554 0.800 1 728 190 195 ALA CB C 20.311 0.800 1 729 190 195 ALA N N 122.404 0.440 1 730 191 196 ILE H H 8.405 0.007 1 731 191 196 ILE C C 177.605 0.800 1 732 191 196 ILE CA C 65.182 0.800 1 733 191 196 ILE CB C 38.140 0.800 1 734 191 196 ILE N N 118.055 0.440 1 735 192 197 SER H H 7.822 0.007 1 736 192 197 SER C C 177.722 0.800 1 737 192 197 SER CA C 60.976 0.800 1 738 192 197 SER CB C 62.288 0.800 1 739 192 197 SER N N 112.831 0.440 1 740 193 198 LEU H H 7.899 0.007 1 741 193 198 LEU C C 180.174 0.800 1 742 193 198 LEU CA C 57.612 0.800 1 743 193 198 LEU CB C 40.239 0.800 1 744 193 198 LEU N N 121.911 0.440 1 745 194 199 ALA H H 8.633 0.007 1 746 194 199 ALA C C 178.587 0.800 1 747 194 199 ALA CA C 56.006 0.800 1 748 194 199 ALA CB C 17.331 0.800 1 749 194 199 ALA N N 125.050 0.440 1 750 195 200 LYS H H 8.977 0.007 1 751 195 200 LYS C C 178.390 0.800 1 752 195 200 LYS CA C 59.483 0.800 1 753 195 200 LYS CB C 31.852 0.800 1 754 195 200 LYS N N 118.306 0.440 1 755 196 201 THR H H 8.227 0.007 1 756 196 201 THR C C 176.780 0.800 1 757 196 201 THR CA C 66.304 0.800 1 758 196 201 THR CB C 68.640 0.800 1 759 196 201 THR N N 114.166 0.440 1 760 197 202 THR H H 7.952 0.007 1 761 197 202 THR C C 176.408 0.800 1 762 197 202 THR CA C 66.225 0.800 1 763 197 202 THR CB C 68.087 0.800 1 764 197 202 THR N N 117.287 0.440 1 765 198 203 PHE H H 8.424 0.007 1 766 198 203 PHE C C 176.330 0.800 1 767 198 203 PHE CA C 62.442 0.800 1 768 198 203 PHE CB C 39.060 0.800 1 769 198 203 PHE N N 123.112 0.440 1 770 199 204 ASP H H 8.841 0.007 1 771 199 204 ASP C C 180.274 0.800 1 772 199 204 ASP CA C 57.301 0.800 1 773 199 204 ASP CB C 39.166 0.800 1 774 199 204 ASP N N 119.622 0.440 1 775 200 205 GLU H H 8.399 0.007 1 776 200 205 GLU C C 179.045 0.800 1 777 200 205 GLU CA C 58.947 0.800 1 778 200 205 GLU CB C 28.420 0.800 1 779 200 205 GLU N N 119.994 0.440 1 780 201 206 ALA H H 7.597 0.007 1 781 201 206 ALA C C 179.121 0.800 1 782 201 206 ALA CA C 54.303 0.800 1 783 201 206 ALA CB C 17.696 0.800 1 784 201 206 ALA N N 121.324 0.440 1 785 202 207 MET H H 8.226 0.007 1 786 202 207 MET C C 178.883 0.800 1 787 202 207 MET CA C 56.470 0.800 1 788 202 207 MET CB C 30.345 0.800 1 789 202 207 MET N N 116.591 0.440 1 790 203 208 ALA H H 7.346 0.007 1 791 203 208 ALA C C 177.886 0.800 1 792 203 208 ALA CA C 53.845 0.800 1 793 203 208 ALA CB C 17.468 0.800 1 794 203 208 ALA N N 119.640 0.440 1 795 204 209 ASP H H 7.127 0.007 1 796 204 209 ASP C C 177.906 0.800 1 797 204 209 ASP CA C 53.505 0.800 1 798 204 209 ASP CB C 42.529 0.800 1 799 204 209 ASP N N 116.001 0.440 1 800 205 210 LEU H H 7.508 0.007 1 801 205 210 LEU CA C 57.933 0.800 1 802 205 210 LEU CB C 41.402 0.800 1 803 205 210 LEU N N 123.634 0.440 1 804 206 211 HIS C C 175.926 0.800 1 805 206 211 HIS CA C 57.647 0.800 1 806 206 211 HIS CB C 28.671 0.800 1 807 207 212 THR H H 7.510 0.007 1 808 207 212 THR C C 174.929 0.800 1 809 207 212 THR CA C 61.867 0.800 1 810 207 212 THR CB C 69.259 0.800 1 811 207 212 THR N N 111.663 0.440 1 812 208 213 LEU H H 7.397 0.007 1 813 208 213 LEU C C 177.239 0.800 1 814 208 213 LEU CA C 54.653 0.800 1 815 208 213 LEU CB C 42.102 0.800 1 816 208 213 LEU N N 122.907 0.440 1 817 209 214 SER H H 8.330 0.007 1 818 209 214 SER C C 175.015 0.800 1 819 209 214 SER CA C 57.399 0.800 1 820 209 214 SER CB C 63.783 0.800 1 821 209 214 SER N N 117.779 0.440 1 822 210 215 GLU H H 8.762 0.007 1 823 210 215 GLU C C 178.181 0.800 1 824 210 215 GLU CA C 59.078 0.800 1 825 210 215 GLU CB C 28.784 0.800 1 826 210 215 GLU N N 122.393 0.440 1 827 211 216 ASP H H 8.426 0.007 1 828 211 216 ASP C C 177.732 0.800 1 829 211 216 ASP CA C 56.179 0.800 1 830 211 216 ASP CB C 39.783 0.800 1 831 211 216 ASP N N 118.147 0.440 1 832 212 217 SER H H 7.749 0.007 1 833 212 217 SER C C 175.225 0.800 1 834 212 217 SER CA C 59.641 0.800 1 835 212 217 SER CB C 63.385 0.800 1 836 212 217 SER N N 115.097 0.440 1 837 213 218 TYR H H 8.203 0.007 1 838 213 218 TYR C C 177.968 0.800 1 839 213 218 TYR CA C 60.733 0.800 1 840 213 218 TYR CB C 37.822 0.800 1 841 213 218 TYR N N 122.449 0.440 1 842 214 219 LYS H H 8.172 0.007 1 843 214 219 LYS C C 178.109 0.800 1 844 214 219 LYS CA C 59.390 0.800 1 845 214 219 LYS CB C 30.965 0.800 1 846 214 219 LYS N N 121.667 0.440 1 847 215 220 ASP H H 7.985 0.007 1 848 215 220 ASP C C 179.095 0.800 1 849 215 220 ASP CA C 56.812 0.800 1 850 215 220 ASP CB C 39.847 0.800 1 851 215 220 ASP N N 118.505 0.440 1 852 216 221 SER H H 8.241 0.007 1 853 216 221 SER C C 176.183 0.800 1 854 216 221 SER CA C 63.147 0.800 1 855 216 221 SER CB C 61.995 0.800 1 856 216 221 SER N N 114.742 0.440 1 857 217 222 THR H H 8.152 0.007 1 858 217 222 THR C C 177.284 0.800 1 859 217 222 THR CA C 65.803 0.800 1 860 217 222 THR CB C 68.196 0.800 1 861 217 222 THR N N 114.890 0.440 1 862 218 223 LEU H H 7.591 0.007 1 863 218 223 LEU C C 179.212 0.800 1 864 218 223 LEU CA C 58.212 0.800 1 865 218 223 LEU CB C 40.718 0.800 1 866 218 223 LEU N N 123.499 0.440 1 867 219 224 ILE H H 7.149 0.007 1 868 219 224 ILE C C 178.664 0.800 1 869 219 224 ILE CA C 64.072 0.800 1 870 219 224 ILE CB C 36.524 0.800 1 871 219 224 ILE N N 117.752 0.440 1 872 220 225 MET H H 8.217 0.007 1 873 220 225 MET CA C 59.435 0.800 1 874 220 225 MET CB C 32.166 0.800 1 875 220 225 MET N N 118.634 0.440 1 876 223 228 LEU C C 178.066 0.800 1 877 223 228 LEU CA C 58.204 0.800 1 878 223 228 LEU CB C 41.770 0.800 1 879 224 229 ARG H H 7.938 0.007 1 880 224 229 ARG C C 178.837 0.800 1 881 224 229 ARG CA C 58.300 0.800 1 882 224 229 ARG CB C 28.617 0.800 1 883 224 229 ARG N N 119.109 0.440 1 884 225 230 ASP H H 8.688 0.007 1 885 225 230 ASP C C 179.285 0.800 1 886 225 230 ASP CA C 56.818 0.800 1 887 225 230 ASP CB C 39.022 0.800 1 888 225 230 ASP N N 121.722 0.440 1 889 226 231 ASN H H 7.474 0.007 1 890 226 231 ASN C C 175.552 0.800 1 891 226 231 ASN CA C 54.982 0.800 1 892 226 231 ASN CB C 35.253 0.800 1 893 226 231 ASN N N 120.179 0.440 1 894 227 232 LEU H H 7.672 0.007 1 895 227 232 LEU C C 179.746 0.800 1 896 227 232 LEU CA C 58.189 0.800 1 897 227 232 LEU CB C 40.450 0.800 1 898 227 232 LEU N N 118.767 0.440 1 899 228 233 THR H H 7.861 0.007 1 900 228 233 THR C C 175.440 0.800 1 901 228 233 THR CA C 65.390 0.800 1 902 228 233 THR CB C 68.248 0.800 1 903 228 233 THR N N 115.627 0.440 1 904 229 234 LEU H H 7.158 0.007 1 905 229 234 LEU C C 179.459 0.800 1 906 229 234 LEU CA C 56.632 0.800 1 907 229 234 LEU CB C 41.224 0.800 1 908 229 234 LEU N N 122.217 0.440 1 909 230 235 TRP H H 8.061 0.007 1 910 230 235 TRP C C 176.772 0.800 1 911 230 235 TRP CA C 55.478 0.800 1 912 230 235 TRP CB C 30.524 0.800 1 913 230 235 TRP N N 118.638 0.440 1 914 231 236 THR H H 7.443 0.007 1 915 231 236 THR CA C 63.122 0.800 1 916 231 236 THR CB C 70.861 0.800 1 917 231 236 THR N N 116.297 0.440 1 stop_ save_