data_26612 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Transmembrane domain of E. coli OmpA in 8 m Urea ; _BMRB_accession_number 26612 _BMRB_flat_file_name bmr26612.str _Entry_type original _Submission_date 2015-07-15 _Accession_date 2015-07-15 _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 Burmann Bjoern M. . 2 Hiller Sebastian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 168 "13C chemical shifts" 487 "15N chemical shifts" 168 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-08-30 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 26613 Skp stop_ _Original_release_date 2015-07-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Regulation of chaperone function by coupled folding and oligomerization ; _Citation_status accepted _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mas G. . . 2 Burmann Sebastian . . 3 Sharpe T. M. . 4 Claudi B. . . 5 Burmann D. . . 6 Hiller Sebastian . . stop_ _Journal_abbreviation 'Sci. Adv.' _Journal_name_full 'Science Advances' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name tOmpA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label tOmpA $tOmpA stop_ _System_molecular_weight 19330 _System_physical_state denatured _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_tOmpA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common tOmpA _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 177 _Mol_residue_sequence ; MAPKDNTWYTGAKLGWSQYH DTGFINNNGPTHENQLGAGA FGGYQVNPYVGFEMGYDWLG RMPYKGSVENGAYKAQGVQL TAKLGYPITDDLDIYTRLGG MVWRADTKSNVYGKNHDTGV SPVFAGGVEYAITPEIATRL EYQWTNNIGDAHTIGTRPDN GMLSLGVSYRFGQGEAA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 1 ALA 3 2 PRO 4 3 LYS 5 4 ASP 6 5 ASN 7 6 THR 8 7 TRP 9 8 TYR 10 9 THR 11 10 GLY 12 11 ALA 13 12 LYS 14 13 LEU 15 14 GLY 16 15 TRP 17 16 SER 18 17 GLN 19 18 TYR 20 19 HIS 21 20 ASP 22 21 THR 23 22 GLY 24 23 PHE 25 24 ILE 26 25 ASN 27 26 ASN 28 27 ASN 29 28 GLY 30 29 PRO 31 30 THR 32 31 HIS 33 32 GLU 34 33 ASN 35 34 GLN 36 35 LEU 37 36 GLY 38 37 ALA 39 38 GLY 40 39 ALA 41 40 PHE 42 41 GLY 43 42 GLY 44 43 TYR 45 44 GLN 46 45 VAL 47 46 ASN 48 47 PRO 49 48 TYR 50 49 VAL 51 50 GLY 52 51 PHE 53 52 GLU 54 53 MET 55 54 GLY 56 55 TYR 57 56 ASP 58 57 TRP 59 58 LEU 60 59 GLY 61 60 ARG 62 61 MET 63 62 PRO 64 63 TYR 65 64 LYS 66 65 GLY 67 66 SER 68 67 VAL 69 68 GLU 70 69 ASN 71 70 GLY 72 71 ALA 73 72 TYR 74 73 LYS 75 74 ALA 76 75 GLN 77 76 GLY 78 77 VAL 79 78 GLN 80 79 LEU 81 80 THR 82 81 ALA 83 82 LYS 84 83 LEU 85 84 GLY 86 85 TYR 87 86 PRO 88 87 ILE 89 88 THR 90 89 ASP 91 90 ASP 92 91 LEU 93 92 ASP 94 93 ILE 95 94 TYR 96 95 THR 97 96 ARG 98 97 LEU 99 98 GLY 100 99 GLY 101 100 MET 102 101 VAL 103 102 TRP 104 103 ARG 105 104 ALA 106 105 ASP 107 106 THR 108 107 LYS 109 108 SER 110 109 ASN 111 110 VAL 112 111 TYR 113 112 GLY 114 113 LYS 115 114 ASN 116 115 HIS 117 116 ASP 118 117 THR 119 118 GLY 120 119 VAL 121 120 SER 122 121 PRO 123 122 VAL 124 123 PHE 125 124 ALA 126 125 GLY 127 126 GLY 128 127 VAL 129 128 GLU 130 129 TYR 131 130 ALA 132 131 ILE 133 132 THR 134 133 PRO 135 134 GLU 136 135 ILE 137 136 ALA 138 137 THR 139 138 ARG 140 139 LEU 141 140 GLU 142 141 TYR 143 142 GLN 144 143 TRP 145 144 THR 146 145 ASN 147 146 ASN 148 147 ILE 149 148 GLY 150 149 ASP 151 150 ALA 152 151 HIS 153 152 THR 154 153 ILE 155 154 GLY 156 155 THR 157 156 ARG 158 157 PRO 159 158 ASP 160 159 ASN 161 160 GLY 162 161 MET 163 162 LEU 164 163 SER 165 164 LEU 166 165 GLY 167 166 VAL 168 167 SER 169 168 TYR 170 169 ARG 171 170 PHE 172 171 GLY 173 172 GLN 174 173 GLY 175 174 GLU 176 175 ALA 177 176 ALA 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 $tOmpA 'E. coli' 562 Bacteria . Escherichia coli 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 $tOmpA 'recombinant technology' . Escherichia coli . pET28b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $tOmpA 1 mM '[U-13C; U-15N; U-2H]' D2O 10 % 'natural abundance' DSS 50 uM 'natural abundance' MES 25 mM 'natural abundance' NaCl 150 mM 'natural abundance' urea 8 M 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . Guntert . . 'Herrmann and Wuthrich' . http://perso.ens-lyon.fr/torsten.herrmann/Herrmann/Software.html 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Ascend _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_5D_APSY_HNCOCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '5D APSY HNCOCACB' _Sample_label $sample_1 save_ save_4D_APSY_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '4D APSY HNCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 6.5 . pH pressure 1 . atm temperature 288.15 . 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 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '5D APSY HNCOCACB' '4D APSY HNCACB' 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 tOmpA _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 2 2 ALA H H 8.74 0.02 1 2 2 2 ALA CA C 50.7 0.3 1 3 2 2 ALA N N 128.1 0.3 1 4 3 3 PRO C C 176.8 0.3 1 5 3 3 PRO CA C 62.9 0.3 1 6 3 3 PRO CB C 31.3 0.3 1 7 4 4 LYS H H 8.37 0.02 1 8 4 4 LYS C C 176.3 0.3 1 9 4 4 LYS CA C 56.1 0.3 1 10 4 4 LYS CB C 32.3 0.3 1 11 4 4 LYS N N 121.3 0.3 1 12 5 5 ASP H H 8.30 0.02 1 13 5 5 ASP C C 176.0 0.3 1 14 5 5 ASP CA C 53.9 0.3 1 15 5 5 ASP CB C 40.9 0.3 1 16 5 5 ASP N N 121.1 0.3 1 17 6 6 ASN H H 8.46 0.02 1 18 6 6 ASN C C 176.0 0.3 1 19 6 6 ASN CA C 53.1 0.3 1 20 6 6 ASN CB C 38.4 0.3 1 21 6 6 ASN N N 119.7 0.3 1 22 7 7 THR H H 8.17 0.02 1 23 7 7 THR C C 174.5 0.3 1 24 7 7 THR CA C 62.5 0.3 1 25 7 7 THR CB C 69.4 0.3 1 26 7 7 THR N N 113.9 0.3 1 27 8 8 TRP H H 8.05 0.02 1 28 8 8 TRP C C 175.7 0.3 1 29 8 8 TRP CA C 56.9 0.3 1 30 8 8 TRP CB C 29.1 0.3 1 31 8 8 TRP N N 122.8 0.3 1 32 9 9 TYR H H 7.90 0.02 1 33 9 9 TYR C C 175.9 0.3 1 34 9 9 TYR CA C 57.8 0.3 1 35 9 9 TYR CB C 38.1 0.3 1 36 9 9 TYR N N 121.6 0.3 1 37 10 10 THR H H 8.03 0.02 1 38 10 10 THR C C 174.8 0.3 1 39 10 10 THR CA C 61.5 0.3 1 40 10 10 THR CB C 69.5 0.3 1 41 10 10 THR N N 115.5 0.3 1 42 11 11 GLY H H 7.45 0.02 1 43 11 11 GLY C C 173.4 0.3 1 44 11 11 GLY CA C 44.8 0.3 1 45 11 11 GLY N N 109.7 0.3 1 46 12 12 ALA H H 8.00 0.02 1 47 12 12 ALA C C 177.7 0.3 1 48 12 12 ALA CA C 52.2 0.3 1 49 12 12 ALA CB C 18.6 0.3 1 50 12 12 ALA N N 123.1 0.3 1 51 13 13 LYS H H 8.27 0.02 1 52 13 13 LYS C C 176.5 0.3 1 53 13 13 LYS CA C 56.1 0.3 1 54 13 13 LYS CB C 32.2 0.3 1 55 13 13 LYS N N 120.9 0.3 1 56 14 14 LEU H H 8.29 0.02 1 57 14 14 LEU C C 177.8 0.3 1 58 14 14 LEU CA C 54.8 0.3 1 59 14 14 LEU CB C 41.6 0.3 1 60 14 14 LEU N N 123.7 0.3 1 61 15 15 GLY H H 8.30 0.02 1 62 15 15 GLY C C 173.7 0.3 1 63 15 15 GLY CA C 44.9 0.3 1 64 15 15 GLY N N 109.0 0.3 1 65 16 16 TRP H H 8.06 0.02 1 66 16 16 TRP C C 176.3 0.3 1 67 16 16 TRP CA C 57.3 0.3 1 68 16 16 TRP CB C 29.4 0.3 1 69 16 16 TRP N N 121.0 0.3 1 70 17 17 SER H H 8.18 0.02 1 71 17 17 SER C C 174.1 0.3 1 72 17 17 SER CA C 58.0 0.3 1 73 17 17 SER CB C 63.5 0.3 1 74 17 17 SER N N 117.3 0.3 1 75 18 18 GLN H H 8.22 0.02 1 76 18 18 GLN C C 175.4 0.3 1 77 18 18 GLN CA C 55.8 0.3 1 78 18 18 GLN CB C 28.8 0.3 1 79 18 18 GLN N N 121.9 0.3 1 80 19 19 TYR H H 8.06 0.02 1 81 19 19 TYR C C 175.4 0.3 1 82 19 19 TYR CA C 57.8 0.3 1 83 19 19 TYR CB C 38.2 0.3 1 84 19 19 TYR N N 120.6 0.3 1 85 20 20 HIS H H 8.18 0.02 1 86 20 20 HIS C C 173.7 0.3 1 87 20 20 HIS CA C 54.9 0.3 1 88 20 20 HIS CB C 29.4 0.3 1 89 20 20 HIS N N 120.9 0.3 1 90 21 21 ASP H H 8.35 0.02 1 91 21 21 ASP C C 176.5 0.3 1 92 21 21 ASP CA C 54.1 0.3 1 93 21 21 ASP CB C 41.0 0.3 1 94 21 21 ASP N N 122.2 0.3 1 95 22 22 THR H H 8.18 0.02 1 96 22 22 THR C C 175.3 0.3 1 97 22 22 THR CA C 61.7 0.3 1 98 22 22 THR CB C 69.5 0.3 1 99 22 22 THR N N 113.9 0.3 1 100 23 23 GLY H H 8.42 0.02 1 101 23 23 GLY C C 173.6 0.3 1 102 23 23 GLY CA C 44.8 0.3 1 103 23 23 GLY N N 110.8 0.3 1 104 24 24 PHE H H 7.99 0.02 1 105 24 24 PHE C C 175.4 0.3 1 106 24 24 PHE CA C 57.6 0.3 1 107 24 24 PHE CB C 39.1 0.3 1 108 24 24 PHE N N 120.1 0.3 1 109 25 25 ILE H H 8.11 0.02 1 110 25 25 ILE C C 175.4 0.3 1 111 25 25 ILE CA C 60.6 0.3 1 112 25 25 ILE CB C 38.0 0.3 1 113 25 25 ILE N N 123.3 0.3 1 114 26 26 ASN H H 8.42 0.02 1 115 26 26 ASN C C 174.9 0.3 1 116 26 26 ASN CA C 52.8 0.3 1 117 26 26 ASN CB C 38.5 0.3 1 118 26 26 ASN N N 122.8 0.3 1 119 27 27 ASN H H 8.46 0.02 1 120 27 27 ASN C C 176.0 0.3 1 121 27 27 ASN CA C 52.9 0.3 1 122 27 27 ASN CB C 38.5 0.3 1 123 27 27 ASN N N 120.2 0.3 1 124 28 28 ASN H H 8.38 0.02 1 125 28 28 ASN C C 175.6 0.3 1 126 28 28 ASN CA C 52.9 0.3 1 127 28 28 ASN CB C 38.7 0.3 1 128 28 28 ASN N N 118.9 0.3 1 129 29 29 GLY H H 8.11 0.02 1 130 29 29 GLY CA C 44.3 0.3 1 131 29 29 GLY N N 108.6 0.3 1 132 30 30 PRO C C 177.3 0.3 1 133 30 30 PRO CA C 62.9 0.3 1 134 30 30 PRO CB C 31.5 0.3 1 135 31 31 THR H H 8.25 0.02 1 136 31 31 THR C C 174.5 0.3 1 137 31 31 THR CA C 61.6 0.3 1 138 31 31 THR CB C 69.6 0.3 1 139 31 31 THR N N 113.9 0.3 1 140 32 32 HIS H H 8.45 0.02 1 141 32 32 HIS C C 174.6 0.3 1 142 32 32 HIS CA C 55.4 0.3 1 143 32 32 HIS CB C 29.2 0.3 1 144 32 32 HIS N N 120.4 0.3 1 145 33 33 GLU H H 8.50 0.02 1 146 33 33 GLU C C 176.2 0.3 1 147 33 33 GLU CA C 56.3 0.3 1 148 33 33 GLU CB C 29.4 0.3 1 149 33 33 GLU N N 122.0 0.3 1 150 34 34 ASN H H 8.60 0.02 1 151 34 34 ASN C C 175.2 0.3 1 152 34 34 ASN CA C 53.1 0.3 1 153 34 34 ASN CB C 38.4 0.3 1 154 34 34 ASN N N 119.9 0.3 1 155 35 35 GLN H H 8.40 0.02 1 156 35 35 GLN C C 176.0 0.3 1 157 35 35 GLN CA C 55.6 0.3 1 158 35 35 GLN CB C 28.8 0.3 1 159 35 35 GLN N N 120.8 0.3 1 160 36 36 LEU H H 8.29 0.02 1 161 36 36 LEU C C 177.8 0.3 1 162 36 36 LEU CA C 55.0 0.3 1 163 36 36 LEU CB C 41.4 0.3 1 164 36 36 LEU N N 123.0 0.3 1 165 37 37 GLY H H 8.34 0.02 1 166 37 37 GLY C C 173.8 0.3 1 167 37 37 GLY CA C 44.8 0.3 1 168 37 37 GLY N N 109.5 0.3 1 169 38 38 ALA H H 8.16 0.02 1 170 38 38 ALA C C 178.3 0.3 1 171 38 38 ALA CA C 52.5 0.3 1 172 38 38 ALA CB C 18.5 0.3 1 173 38 38 ALA N N 123.4 0.3 1 174 39 39 GLY H H 8.31 0.02 1 175 39 39 GLY C C 173.9 0.3 1 176 39 39 GLY CA C 44.8 0.3 1 177 39 39 GLY N N 107.7 0.3 1 178 40 40 ALA H H 8.00 0.02 1 179 40 40 ALA C C 177.5 0.3 1 180 40 40 ALA CA C 52.2 0.3 1 181 40 40 ALA CB C 18.6 0.3 1 182 40 40 ALA N N 123.2 0.3 1 183 41 41 PHE H H 8.25 0.02 1 184 41 41 PHE C C 176.3 0.3 1 185 41 41 PHE CA C 57.5 0.3 1 186 41 41 PHE CB C 38.8 0.3 1 187 41 41 PHE N N 119.2 0.3 1 188 42 42 GLY H H 8.23 0.02 1 189 42 42 GLY CA C 44.9 0.3 1 190 42 42 GLY N N 110.6 0.3 1 191 43 43 GLY H H 7.64 0.02 1 192 43 43 GLY C C 173.6 0.3 1 193 43 43 GLY CA C 44.8 0.3 1 194 43 43 GLY N N 107.7 0.3 1 195 44 44 TYR H H 7.97 0.02 1 196 44 44 TYR C C 175.6 0.3 1 197 44 44 TYR CA C 57.7 0.3 1 198 44 44 TYR CB C 38.3 0.3 1 199 44 44 TYR N N 119.7 0.3 1 200 45 45 GLN H H 8.35 0.02 1 201 45 45 GLN C C 175.3 0.3 1 202 45 45 GLN CA C 55.2 0.3 1 203 45 45 GLN CB C 29.1 0.3 1 204 45 45 GLN N N 122.6 0.3 1 205 46 46 VAL H H 8.13 0.02 1 206 46 46 VAL C C 175.5 0.3 1 207 46 46 VAL CA C 61.9 0.3 1 208 46 46 VAL CB C 32.2 0.3 1 209 46 46 VAL N N 121.6 0.3 1 210 47 47 ASN H H 8.52 0.02 1 211 47 47 ASN CA C 50.8 0.3 1 212 47 47 ASN CB C 38.3 0.3 1 213 47 47 ASN N N 123.0 0.3 1 214 48 48 PRO C C 176.3 0.3 1 215 48 48 PRO CA C 63.0 0.3 1 216 48 48 PRO CB C 31.3 0.3 1 217 49 49 TYR H H 8.10 0.02 1 218 49 49 TYR C C 175.7 0.3 1 219 49 49 TYR CA C 57.8 0.3 1 220 49 49 TYR CB C 37.8 0.3 1 221 49 49 TYR N N 119.8 0.3 1 222 50 50 VAL H H 7.81 0.02 1 223 50 50 VAL C C 175.9 0.3 1 224 50 50 VAL CA C 61.8 0.3 1 225 50 50 VAL CB C 32.2 0.3 1 226 50 50 VAL N N 121.9 0.3 1 227 51 51 GLY H H 7.92 0.02 1 228 51 51 GLY C C 173.5 0.3 1 229 51 51 GLY CA C 44.8 0.3 1 230 51 51 GLY N N 111.3 0.3 1 231 52 52 PHE H H 8.02 0.02 1 232 52 52 PHE C C 175.7 0.3 1 233 52 52 PHE CA C 57.5 0.3 1 234 52 52 PHE CB C 39.1 0.3 1 235 52 52 PHE N N 119.7 0.3 1 236 53 53 GLU H H 8.51 0.02 1 237 53 53 GLU C C 176.2 0.3 1 238 53 53 GLU CA C 56.3 0.3 1 239 53 53 GLU CB C 29.3 0.3 1 240 53 53 GLU N N 122.4 0.3 1 241 54 54 MET H H 8.28 0.02 1 242 54 54 MET C C 176.6 0.3 1 243 54 54 MET CA C 55.3 0.3 1 244 54 54 MET CB C 32.1 0.3 1 245 54 54 MET N N 120.9 0.3 1 246 55 55 GLY H H 8.27 0.02 1 247 55 55 GLY C C 173.5 0.3 1 248 55 55 GLY CA C 44.8 0.3 1 249 55 55 GLY N N 109.2 0.3 1 250 56 56 TYR H H 8.05 0.02 1 251 56 56 TYR C C 175.5 0.3 1 252 56 56 TYR CA C 57.8 0.3 1 253 56 56 TYR CB C 38.3 0.3 1 254 56 56 TYR N N 119.8 0.3 1 255 57 57 ASP H H 8.32 0.02 1 256 57 57 ASP C C 176.2 0.3 1 257 57 57 ASP CA C 53.7 0.3 1 258 57 57 ASP CB C 40.6 0.3 1 259 57 57 ASP N N 121.7 0.3 1 260 58 58 TRP H H 7.95 0.02 1 261 58 58 TRP C C 176.4 0.3 1 262 58 58 TRP CA C 57.8 0.3 1 263 58 58 TRP CB C 28.7 0.3 1 264 58 58 TRP N N 121.6 0.3 1 265 59 59 LEU H H 7.91 0.02 1 266 59 59 LEU C C 177.7 0.3 1 267 59 59 LEU CA C 55.1 0.3 1 268 59 59 LEU CB C 41.1 0.3 1 269 59 59 LEU N N 122.4 0.3 1 270 60 60 GLY H H 7.76 0.02 1 271 60 60 GLY C C 173.7 0.3 1 272 60 60 GLY CA C 44.9 0.3 1 273 60 60 GLY N N 108.1 0.3 1 274 61 61 ARG H H 8.00 0.02 1 275 61 61 ARG C C 176.3 0.3 1 276 61 61 ARG CA C 55.8 0.3 1 277 61 61 ARG CB C 30.1 0.3 1 278 61 61 ARG N N 119.8 0.3 1 279 62 62 MET H H 8.43 0.02 1 280 62 62 MET CA C 53.0 0.3 1 281 62 62 MET CB C 31.8 0.3 1 282 62 62 MET N N 122.5 0.3 1 283 63 63 PRO C C 176.3 0.3 1 284 63 63 PRO CA C 62.8 0.3 1 285 63 63 PRO CB C 31.3 0.3 1 286 64 64 TYR H H 8.25 0.02 1 287 64 64 TYR C C 175.8 0.3 1 288 64 64 TYR CA C 57.8 0.3 1 289 64 64 TYR CB C 38.2 0.3 1 290 64 64 TYR N N 121.4 0.3 1 291 65 65 LYS H H 8.28 0.02 1 292 65 65 LYS C C 176.2 0.3 1 293 65 65 LYS CA C 55.9 0.3 1 294 65 65 LYS CB C 32.4 0.3 1 295 65 65 LYS N N 125.1 0.3 1 296 66 66 GLY H H 7.62 0.02 1 297 66 66 GLY C C 173.6 0.3 1 298 66 66 GLY CA C 44.7 0.3 1 299 66 66 GLY N N 109.2 0.3 1 300 67 67 SER H H 8.20 0.02 1 301 67 67 SER C C 174.8 0.3 1 302 67 67 SER CA C 58.0 0.3 1 303 67 67 SER CB C 63.6 0.3 1 304 67 67 SER N N 115.3 0.3 1 305 68 68 VAL H H 8.24 0.02 1 306 68 68 VAL C C 176.2 0.3 1 307 68 68 VAL CA C 62.0 0.3 1 308 68 68 VAL CB C 32.1 0.3 1 309 68 68 VAL N N 121.5 0.3 1 310 69 69 GLU H H 8.45 0.02 1 311 69 69 GLU C C 176.3 0.3 1 312 69 69 GLU CA C 56.3 0.3 1 313 69 69 GLU CB C 29.6 0.3 1 314 69 69 GLU N N 123.9 0.3 1 315 70 70 ASN H H 8.42 0.02 1 316 70 70 ASN C C 175.8 0.3 1 317 70 70 ASN CA C 53.2 0.3 1 318 70 70 ASN CB C 38.5 0.3 1 319 70 70 ASN N N 119.9 0.3 1 320 71 71 GLY H H 8.35 0.02 1 321 71 71 GLY C C 173.4 0.3 1 322 71 71 GLY CA C 45.0 0.3 1 323 71 71 GLY N N 109.2 0.3 1 324 72 72 ALA H H 8.01 0.02 1 325 72 72 ALA C C 177.4 0.3 1 326 72 72 ALA CA C 52.3 0.3 1 327 72 72 ALA CB C 18.6 0.3 1 328 72 72 ALA N N 123.1 0.3 1 329 73 73 TYR H H 8.09 0.02 1 330 73 73 TYR C C 175.5 0.3 1 331 73 73 TYR CA C 57.8 0.3 1 332 73 73 TYR CB C 38.1 0.3 1 333 73 73 TYR N N 119.5 0.3 1 334 74 74 LYS H H 8.10 0.02 1 335 74 74 LYS C C 175.6 0.3 1 336 74 74 LYS CA C 55.4 0.3 1 337 74 74 LYS CB C 32.5 0.3 1 338 74 74 LYS N N 124.4 0.3 1 339 75 75 ALA H H 8.21 0.02 1 340 75 75 ALA C C 177.5 0.3 1 341 75 75 ALA CA C 52.2 0.3 1 342 75 75 ALA CB C 18.4 0.3 1 343 75 75 ALA N N 125.7 0.3 1 344 76 76 GLN H H 8.37 0.02 1 345 76 76 GLN C C 176.4 0.3 1 346 76 76 GLN CA C 55.5 0.3 1 347 76 76 GLN CB C 29.2 0.3 1 348 76 76 GLN N N 119.6 0.3 1 349 77 77 GLY H H 8.35 0.02 1 350 77 77 GLY C C 173.9 0.3 1 351 77 77 GLY CA C 44.8 0.3 1 352 77 77 GLY N N 109.9 0.3 1 353 78 78 VAL H H 7.96 0.02 1 354 78 78 VAL C C 176.0 0.3 1 355 78 78 VAL CA C 61.8 0.3 1 356 78 78 VAL CB C 32.2 0.3 1 357 78 78 VAL N N 119.0 0.3 1 358 79 79 GLN H H 8.49 0.02 1 359 79 79 GLN C C 175.8 0.3 1 360 79 79 GLN CA C 55.2 0.3 1 361 79 79 GLN CB C 28.8 0.3 1 362 79 79 GLN N N 124.2 0.3 1 363 80 80 LEU H H 8.41 0.02 1 364 80 80 LEU C C 177.5 0.3 1 365 80 80 LEU CA C 54.9 0.3 1 366 80 80 LEU CB C 41.5 0.3 1 367 80 80 LEU N N 124.5 0.3 1 368 81 81 THR H H 8.15 0.02 1 369 81 81 THR C C 174.2 0.3 1 370 81 81 THR CA C 61.4 0.3 1 371 81 81 THR CB C 69.7 0.3 1 372 81 81 THR N N 114.8 0.3 1 373 82 82 ALA H H 8.27 0.02 1 374 82 82 ALA C C 177.7 0.3 1 375 82 82 ALA CA C 52.1 0.3 1 376 82 82 ALA CB C 18.7 0.3 1 377 82 82 ALA N N 126.2 0.3 1 378 83 83 LYS H H 8.30 0.02 1 379 83 83 LYS C C 176.5 0.3 1 380 83 83 LYS CA C 56.0 0.3 1 381 83 83 LYS CB C 32.2 0.3 1 382 83 83 LYS N N 121.2 0.3 1 383 84 84 LEU H H 8.26 0.02 1 384 84 84 LEU C C 177.7 0.3 1 385 84 84 LEU CA C 54.8 0.3 1 386 84 84 LEU CB C 41.5 0.3 1 387 84 84 LEU N N 123.6 0.3 1 388 85 85 GLY H H 8.33 0.02 1 389 85 85 GLY C C 173.2 0.3 1 390 85 85 GLY CA C 44.6 0.3 1 391 85 85 GLY N N 109.4 0.3 1 392 86 86 TYR H H 7.98 0.02 1 393 86 86 TYR CA C 55.6 0.3 1 394 86 86 TYR CB C 37.5 0.3 1 395 86 86 TYR N N 120.5 0.3 1 396 87 87 PRO C C 176.6 0.3 1 397 87 87 PRO CA C 62.8 0.3 1 398 87 87 PRO CB C 31.3 0.3 1 399 88 88 ILE H H 8.28 0.02 1 400 88 88 ILE C C 176.6 0.3 1 401 88 88 ILE CA C 61.1 0.3 1 402 88 88 ILE CB C 38.0 0.3 1 403 88 88 ILE N N 121.4 0.3 1 404 89 89 THR H H 8.15 0.02 1 405 89 89 THR C C 174.1 0.3 1 406 89 89 THR CA C 61.0 0.3 1 407 89 89 THR CB C 69.7 0.3 1 408 89 89 THR N N 117.4 0.3 1 409 90 90 ASP H H 8.31 0.02 1 410 90 90 ASP C C 175.8 0.3 1 411 90 90 ASP CA C 54.2 0.3 1 412 90 90 ASP CB C 41.0 0.3 1 413 90 90 ASP N N 122.4 0.3 1 414 91 91 ASP H H 8.30 0.02 1 415 91 91 ASP C C 177.3 0.3 1 416 91 91 ASP CA C 54.3 0.3 1 417 91 91 ASP CB C 40.7 0.3 1 418 91 91 ASP N N 120.4 0.3 1 419 92 92 LEU H H 8.13 0.02 1 420 92 92 LEU C C 177.3 0.3 1 421 92 92 LEU CA C 55.1 0.3 1 422 92 92 LEU CB C 41.5 0.3 1 423 92 92 LEU N N 121.6 0.3 1 424 93 93 ASP H H 8.30 0.02 1 425 93 93 ASP C C 176.6 0.3 1 426 93 93 ASP CA C 54.3 0.3 1 427 93 93 ASP CB C 40.7 0.3 1 428 93 93 ASP N N 120.7 0.3 1 429 94 94 ILE H H 7.78 0.02 1 430 94 94 ILE C C 176.1 0.3 1 431 94 94 ILE CA C 61.7 0.3 1 432 94 94 ILE CB C 37.7 0.3 1 433 94 94 ILE N N 119.1 0.3 1 434 95 95 TYR H H 8.06 0.02 1 435 95 95 TYR C C 176.4 0.3 1 436 95 95 TYR CA C 58.1 0.3 1 437 95 95 TYR CB C 37.9 0.3 1 438 95 95 TYR N N 121.6 0.3 1 439 96 96 THR H H 7.98 0.02 1 440 96 96 THR C C 174.6 0.3 1 441 96 96 THR CA C 62.2 0.3 1 442 96 96 THR CB C 69.5 0.3 1 443 96 96 THR N N 115.4 0.3 1 444 97 97 ARG H H 8.22 0.02 1 445 97 97 ARG C C 176.4 0.3 1 446 97 97 ARG CA C 56.1 0.3 1 447 97 97 ARG CB C 30.0 0.3 1 448 97 97 ARG N N 123.3 0.3 1 449 98 98 LEU H H 8.27 0.02 1 450 98 98 LEU C C 176.6 0.3 1 451 98 98 LEU CA C 54.9 0.3 1 452 98 98 LEU CB C 41.4 0.3 1 453 98 98 LEU N N 122.8 0.3 1 454 99 99 GLY H H 8.32 0.02 1 455 99 99 GLY C C 174.3 0.3 1 456 99 99 GLY CA C 44.8 0.3 1 457 99 99 GLY N N 109.4 0.3 1 458 100 100 GLY H H 8.18 0.02 1 459 100 100 GLY C C 173.9 0.3 1 460 100 100 GLY CA C 44.8 0.3 1 461 100 100 GLY N N 108.5 0.3 1 462 101 101 MET H H 8.20 0.02 1 463 101 101 MET C C 176.0 0.3 1 464 101 101 MET CA C 55.2 0.3 1 465 101 101 MET CB C 32.4 0.3 1 466 101 101 MET N N 119.9 0.3 1 467 102 102 VAL H H 8.14 0.02 1 468 102 102 VAL C C 175.6 0.3 1 469 102 102 VAL CA C 61.8 0.3 1 470 102 102 VAL CB C 32.3 0.3 1 471 102 102 VAL N N 121.8 0.3 1 472 103 103 TRP H H 8.37 0.02 1 473 103 103 TRP C C 175.7 0.3 1 474 103 103 TRP CA C 57.1 0.3 1 475 103 103 TRP CB C 29.2 0.3 1 476 103 103 TRP N N 125.9 0.3 1 477 104 104 ARG H H 8.12 0.02 1 478 104 104 ARG C C 175.3 0.3 1 479 104 104 ARG CA C 55.2 0.3 1 480 104 104 ARG CB C 30.6 0.3 1 481 104 104 ARG N N 124.0 0.3 1 482 105 105 ALA H H 8.16 0.02 1 483 105 105 ALA C C 177.3 0.3 1 484 105 105 ALA CA C 52.1 0.3 1 485 105 105 ALA CB C 18.6 0.3 1 486 105 105 ALA N N 125.1 0.3 1 487 106 106 ASP H H 8.35 0.02 1 488 106 106 ASP C C 175.7 0.3 1 489 106 106 ASP CA C 53.8 0.3 1 490 106 106 ASP CB C 40.7 0.3 1 491 106 106 ASP N N 119.4 0.3 1 492 107 107 THR H H 8.05 0.02 1 493 107 107 THR C C 174.8 0.3 1 494 107 107 THR CA C 61.7 0.3 1 495 107 107 THR CB C 69.5 0.3 1 496 107 107 THR N N 114.3 0.3 1 497 108 108 LYS H H 8.33 0.02 1 498 108 108 LYS C C 176.6 0.3 1 499 108 108 LYS CA C 56.3 0.3 1 500 108 108 LYS CB C 32.1 0.3 1 501 108 108 LYS N N 123.1 0.3 1 502 109 109 SER H H 8.26 0.02 1 503 109 109 SER C C 174.3 0.3 1 504 109 109 SER CA C 58.1 0.3 1 505 109 109 SER CB C 63.5 0.3 1 506 109 109 SER N N 116.2 0.3 1 507 110 110 ASN H H 8.48 0.02 1 508 110 110 ASN C C 175.1 0.3 1 509 110 110 ASN CA C 53.0 0.3 1 510 110 110 ASN CB C 38.4 0.3 1 511 110 110 ASN N N 121.1 0.3 1 512 111 111 VAL H H 7.97 0.02 1 513 111 111 VAL C C 175.8 0.3 1 514 111 111 VAL CA C 62.2 0.3 1 515 111 111 VAL CB C 32.0 0.3 1 516 111 111 VAL N N 119.6 0.3 1 517 112 112 TYR H H 8.18 0.02 1 518 112 112 TYR C C 176.4 0.3 1 519 112 112 TYR CA C 57.7 0.3 1 520 112 112 TYR CB C 38.3 0.3 1 521 112 112 TYR N N 122.8 0.3 1 522 113 113 GLY H H 8.20 0.02 1 523 113 113 GLY C C 173.2 0.3 1 524 113 113 GLY CA C 44.8 0.3 1 525 113 113 GLY N N 110.0 0.3 1 526 114 114 LYS H H 8.12 0.02 1 527 114 114 LYS CA C 56.1 0.3 1 528 114 114 LYS CB C 32.4 0.3 1 529 114 114 LYS N N 120.5 0.3 1 530 115 115 ASN H H 8.49 0.02 1 531 115 115 ASN CA C 53.1 0.3 1 532 115 115 ASN CB C 38.3 0.3 1 533 115 115 ASN N N 119.4 0.3 1 534 116 116 HIS H H 8.44 0.02 1 535 116 116 HIS C C 174.3 0.3 1 536 116 116 HIS CA C 55.5 0.3 1 537 116 116 HIS CB C 29.1 0.3 1 538 116 116 HIS N N 119.4 0.3 1 539 117 117 ASP H H 8.42 0.02 1 540 117 117 ASP C C 176.5 0.3 1 541 117 117 ASP CA C 54.3 0.3 1 542 117 117 ASP CB C 40.8 0.3 1 543 117 117 ASP N N 121.7 0.3 1 544 118 118 THR H H 8.17 0.02 1 545 118 118 THR C C 175.3 0.3 1 546 118 118 THR CA C 61.7 0.3 1 547 118 118 THR CB C 69.5 0.3 1 548 118 118 THR N N 113.9 0.3 1 549 119 119 GLY H H 8.38 0.02 1 550 119 119 GLY C C 173.9 0.3 1 551 119 119 GLY CA C 44.9 0.3 1 552 119 119 GLY N N 110.4 0.3 1 553 120 120 VAL H H 7.87 0.02 1 554 120 120 VAL C C 176.1 0.3 1 555 120 120 VAL CA C 61.5 0.3 1 556 120 120 VAL CB C 32.2 0.3 1 557 120 120 VAL N N 118.6 0.3 1 558 121 121 SER H H 8.42 0.02 1 559 121 121 SER CA C 56.3 0.3 1 560 121 121 SER CB C 62.9 0.3 1 561 121 121 SER N N 121.0 0.3 1 562 122 122 PRO C C 176.5 0.3 1 563 122 122 PRO CA C 63.0 0.3 1 564 122 122 PRO CB C 31.3 0.3 1 565 123 123 VAL H H 8.03 0.02 1 566 123 123 VAL C C 175.9 0.3 1 567 123 123 VAL CA C 61.9 0.3 1 568 123 123 VAL CB C 32.1 0.3 1 569 123 123 VAL N N 119.7 0.3 1 570 124 124 PHE H H 8.28 0.02 1 571 124 124 PHE C C 175.4 0.3 1 572 124 124 PHE CA C 57.1 0.3 1 573 124 124 PHE CB C 39.0 0.3 1 574 124 124 PHE N N 124.0 0.3 1 575 125 125 ALA H H 8.32 0.02 1 576 125 125 ALA C C 177.6 0.3 1 577 125 125 ALA CA C 52.1 0.3 1 578 125 125 ALA CB C 18.6 0.3 1 579 125 125 ALA N N 126.7 0.3 1 580 126 126 GLY H H 7.72 0.02 1 581 126 126 GLY C C 174.3 0.3 1 582 126 126 GLY CA C 45.0 0.3 1 583 126 126 GLY N N 107.4 0.3 1 584 127 127 GLY H H 8.18 0.02 1 585 127 127 GLY C C 173.8 0.3 1 586 127 127 GLY CA C 44.8 0.3 1 587 127 127 GLY N N 108.1 0.3 1 588 128 128 VAL H H 8.00 0.02 1 589 128 128 VAL C C 175.9 0.3 1 590 128 128 VAL CA C 61.8 0.3 1 591 128 128 VAL CB C 32.1 0.3 1 592 128 128 VAL N N 119.2 0.3 1 593 129 129 GLU H H 8.44 0.02 1 594 129 129 GLU C C 175.9 0.3 1 595 129 129 GLU CA C 56.1 0.3 1 596 129 129 GLU CB C 29.5 0.3 1 597 129 129 GLU N N 124.1 0.3 1 598 130 130 TYR H H 8.08 0.02 1 599 130 130 TYR C C 175.2 0.3 1 600 130 130 TYR CA C 57.3 0.3 1 601 130 130 TYR CB C 38.3 0.3 1 602 130 130 TYR N N 121.2 0.3 1 603 131 131 ALA H H 8.25 0.02 1 604 131 131 ALA C C 177.2 0.3 1 605 131 131 ALA CA C 51.9 0.3 1 606 131 131 ALA CB C 18.7 0.3 1 607 131 131 ALA N N 125.3 0.3 1 608 132 132 ILE H H 8.13 0.02 1 609 132 132 ILE C C 176.2 0.3 1 610 132 132 ILE CA C 60.7 0.3 1 611 132 132 ILE CB C 38.1 0.3 1 612 132 132 ILE N N 120.4 0.3 1 613 133 133 THR H H 8.20 0.02 1 614 133 133 THR CA C 59.6 0.3 1 615 133 133 THR CB C 69.3 0.3 1 616 133 133 THR N N 120.4 0.3 1 617 134 134 PRO C C 176.7 0.3 1 618 134 134 PRO CA C 63.0 0.3 1 619 134 134 PRO CB C 31.4 0.3 1 620 135 135 GLU H H 8.46 0.02 1 621 135 135 GLU C C 176.6 0.3 1 622 135 135 GLU CA C 56.5 0.3 1 623 135 135 GLU CB C 29.3 0.3 1 624 135 135 GLU N N 121.0 0.3 1 625 136 136 ILE H H 8.12 0.02 1 626 136 136 ILE C C 175.9 0.3 1 627 136 136 ILE CA C 60.9 0.3 1 628 136 136 ILE CB C 37.9 0.3 1 629 136 136 ILE N N 121.7 0.3 1 630 137 137 ALA H H 8.32 0.02 1 631 137 137 ALA C C 177.8 0.3 1 632 137 137 ALA CA C 52.3 0.3 1 633 137 137 ALA CB C 18.6 0.3 1 634 137 137 ALA N N 127.6 0.3 1 635 138 138 THR H H 8.09 0.02 1 636 138 138 THR C C 174.4 0.3 1 637 138 138 THR CA C 61.7 0.3 1 638 138 138 THR CB C 69.7 0.3 1 639 138 138 THR N N 114.0 0.3 1 640 139 139 ARG H H 8.31 0.02 1 641 139 139 ARG C C 176.0 0.3 1 642 139 139 ARG CA C 55.8 0.3 1 643 139 139 ARG CB C 30.2 0.3 1 644 139 139 ARG N N 123.5 0.3 1 645 140 140 LEU H H 8.34 0.02 1 646 140 140 LEU C C 177.1 0.3 1 647 140 140 LEU CA C 54.9 0.3 1 648 140 140 LEU CB C 41.4 0.3 1 649 140 140 LEU N N 124.2 0.3 1 650 141 141 GLU H H 8.44 0.02 1 651 141 141 GLU C C 176.1 0.3 1 652 141 141 GLU CA C 56.1 0.3 1 653 141 141 GLU CB C 29.6 0.3 1 654 141 141 GLU N N 121.6 0.3 1 655 142 142 TYR H H 8.17 0.02 1 656 142 142 TYR C C 175.5 0.3 1 657 142 142 TYR CA C 57.7 0.3 1 658 142 142 TYR CB C 38.2 0.3 1 659 142 142 TYR N N 121.2 0.3 1 660 143 143 GLN H H 8.19 0.02 1 661 143 143 GLN C C 175.3 0.3 1 662 143 143 GLN CA C 55.2 0.3 1 663 143 143 GLN CB C 28.9 0.3 1 664 143 143 GLN N N 122.0 0.3 1 665 144 144 TRP H H 8.13 0.02 1 666 144 144 TRP C C 176.3 0.3 1 667 144 144 TRP CA C 57.1 0.3 1 668 144 144 TRP CB C 29.1 0.3 1 669 144 144 TRP N N 122.5 0.3 1 670 145 145 THR H H 7.96 0.02 1 671 145 145 THR C C 173.7 0.3 1 672 145 145 THR CA C 61.3 0.3 1 673 145 145 THR CB C 69.8 0.3 1 674 145 145 THR N N 115.2 0.3 1 675 146 146 ASN H H 8.28 0.02 1 676 146 146 ASN C C 175.1 0.3 1 677 146 146 ASN CA C 53.0 0.3 1 678 146 146 ASN CB C 38.5 0.3 1 679 146 146 ASN N N 120.4 0.3 1 680 147 147 ASN H H 8.38 0.02 1 681 147 147 ASN CA C 53.1 0.3 1 682 147 147 ASN CB C 38.4 0.3 1 683 147 147 ASN N N 119.5 0.3 1 684 148 148 ILE H H 8.09 0.02 1 685 148 148 ILE C C 176.6 0.3 1 686 148 148 ILE CA C 61.4 0.3 1 687 148 148 ILE CB C 37.8 0.3 1 688 148 148 ILE N N 120.8 0.3 1 689 149 149 GLY H H 8.30 0.02 1 690 149 149 GLY C C 173.7 0.3 1 691 149 149 GLY CA C 44.9 0.3 1 692 149 149 GLY N N 111.8 0.3 1 693 150 150 ASP H H 8.12 0.02 1 694 150 150 ASP C C 176.2 0.3 1 695 150 150 ASP CA C 54.0 0.3 1 696 150 150 ASP CB C 41.1 0.3 1 697 150 150 ASP N N 120.5 0.3 1 698 151 151 ALA H H 8.27 0.02 1 699 151 151 ALA C C 177.7 0.3 1 700 151 151 ALA CA C 52.6 0.3 1 701 151 151 ALA CB C 18.4 0.3 1 702 151 151 ALA N N 124.0 0.3 1 703 152 152 HIS H H 8.46 0.02 1 704 152 152 HIS C C 174.9 0.3 1 705 152 152 HIS CA C 55.4 0.3 1 706 152 152 HIS CB C 28.8 0.3 1 707 152 152 HIS N N 117.2 0.3 1 708 153 153 THR H H 8.11 0.02 1 709 153 153 THR C C 174.5 0.3 1 710 153 153 THR CA C 61.7 0.3 1 711 153 153 THR CB C 69.7 0.3 1 712 153 153 THR N N 115.2 0.3 1 713 154 154 ILE H H 8.25 0.02 1 714 154 154 ILE C C 176.6 0.3 1 715 154 154 ILE CA C 61.3 0.3 1 716 154 154 ILE CB C 38.0 0.3 1 717 154 154 ILE N N 123.2 0.3 1 718 155 155 GLY H H 8.39 0.02 1 719 155 155 GLY C C 174.1 0.3 1 720 155 155 GLY CA C 44.8 0.3 1 721 155 155 GLY N N 112.5 0.3 1 722 156 156 THR H H 8.04 0.02 1 723 156 156 THR C C 174.5 0.3 1 724 156 156 THR CA C 61.5 0.3 1 725 156 156 THR CB C 69.9 0.3 1 726 156 156 THR N N 113.4 0.3 1 727 157 157 ARG H H 8.45 0.02 1 728 157 157 ARG CA C 53.9 0.3 1 729 157 157 ARG CB C 29.5 0.3 1 730 157 157 ARG N N 123.9 0.3 1 731 158 158 PRO C C 176.4 0.3 1 732 158 158 PRO CA C 63.0 0.3 1 733 158 158 PRO CB C 31.3 0.3 1 734 159 159 ASP H H 8.37 0.02 1 735 159 159 ASP C C 176.1 0.3 1 736 159 159 ASP CA C 53.9 0.3 1 737 159 159 ASP CB C 41.0 0.3 1 738 159 159 ASP N N 120.3 0.3 1 739 160 160 ASN H H 8.46 0.02 1 740 160 160 ASN C C 174.9 0.3 1 741 160 160 ASN CA C 53.1 0.3 1 742 160 160 ASN CB C 38.4 0.3 1 743 160 160 ASN N N 119.5 0.3 1 744 161 161 GLY H H 8.47 0.02 1 745 161 161 GLY C C 173.8 0.3 1 746 161 161 GLY CA C 45.3 0.3 1 747 161 161 GLY N N 108.7 0.3 1 748 162 162 MET H H 8.09 0.02 1 749 162 162 MET C C 176.3 0.3 1 750 162 162 MET CA C 55.4 0.3 1 751 162 162 MET CB C 32.2 0.3 1 752 162 162 MET N N 119.4 0.3 1 753 163 163 LEU H H 8.34 0.02 1 754 163 163 LEU C C 177.4 0.3 1 755 163 163 LEU CA C 54.8 0.3 1 756 163 163 LEU CB C 41.5 0.3 1 757 163 163 LEU N N 123.8 0.3 1 758 164 164 SER H H 8.33 0.02 1 759 164 164 SER C C 174.6 0.3 1 760 164 164 SER CA C 58.0 0.3 1 761 164 164 SER CB C 63.2 0.3 1 762 164 164 SER N N 116.8 0.3 1 763 165 165 LEU H H 8.28 0.02 1 764 165 165 LEU C C 177.8 0.3 1 765 165 165 LEU CA C 54.9 0.3 1 766 165 165 LEU CB C 41.5 0.3 1 767 165 165 LEU N N 124.1 0.3 1 768 166 166 GLY H H 8.32 0.02 1 769 166 166 GLY C C 173.8 0.3 1 770 166 166 GLY CA C 44.8 0.3 1 771 166 166 GLY N N 109.2 0.3 1 772 167 167 VAL H H 7.92 0.02 1 773 167 167 VAL C C 176.1 0.3 1 774 167 167 VAL CA C 61.7 0.3 1 775 167 167 VAL CB C 32.2 0.3 1 776 167 167 VAL N N 118.8 0.3 1 777 168 168 SER H H 8.30 0.02 1 778 168 168 SER C C 174.1 0.3 1 779 168 168 SER CA C 57.8 0.3 1 780 168 168 SER CB C 63.5 0.3 1 781 168 168 SER N N 118.8 0.3 1 782 169 169 TYR H H 8.19 0.02 1 783 169 169 TYR C C 175.4 0.3 1 784 169 169 TYR CA C 57.7 0.3 1 785 169 169 TYR CB C 38.3 0.3 1 786 169 169 TYR N N 122.9 0.3 1 787 170 170 ARG H H 8.16 0.02 1 788 170 170 ARG C C 175.6 0.3 1 789 170 170 ARG CA C 55.5 0.3 1 790 170 170 ARG CB C 30.2 0.3 1 791 170 170 ARG N N 122.9 0.3 1 792 171 171 PHE H H 8.21 0.02 1 793 171 171 PHE C C 176.4 0.3 1 794 171 171 PHE CA C 57.7 0.3 1 795 171 171 PHE CB C 39.1 0.3 1 796 171 171 PHE N N 121.3 0.3 1 797 172 172 GLY H H 8.39 0.02 1 798 172 172 GLY C C 173.9 0.3 1 799 172 172 GLY CA C 44.9 0.3 1 800 172 172 GLY N N 110.6 0.3 1 801 173 173 GLN H H 8.26 0.02 1 802 173 173 GLN C C 176.4 0.3 1 803 173 173 GLN CA C 55.7 0.3 1 804 173 173 GLN CB C 28.9 0.3 1 805 173 173 GLN N N 119.7 0.3 1 806 174 174 GLY H H 8.42 0.02 1 807 174 174 GLY C C 173.9 0.3 1 808 174 174 GLY CA C 44.9 0.3 1 809 174 174 GLY N N 110.0 0.3 1 810 175 175 GLU H H 8.23 0.02 1 811 175 175 GLU C C 176.1 0.3 1 812 175 175 GLU CA C 56.1 0.3 1 813 175 175 GLU CB C 29.8 0.3 1 814 175 175 GLU N N 120.4 0.3 1 815 176 176 ALA H H 8.29 0.02 1 816 176 176 ALA C C 176.3 0.3 1 817 176 176 ALA CA C 52.0 0.3 1 818 176 176 ALA CB C 18.6 0.3 1 819 176 176 ALA N N 125.2 0.3 1 820 177 177 ALA H H 7.88 0.02 1 821 177 177 ALA CA C 53.6 0.3 1 822 177 177 ALA CB C 19.2 0.3 1 823 177 177 ALA N N 129.0 0.3 1 stop_ save_