data_15474 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C assignment and relaxation parameters of the denatured state of Azotobacter vinelandii apoflavodoxin ; _BMRB_accession_number 15474 _BMRB_flat_file_name bmr15474.str _Entry_type original _Submission_date 2007-09-17 _Accession_date 2007-09-17 _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 Nabuurs Sanne M. . 2 Westphal Adrie . . 3 'van Mierlo' Carlo P.M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 345 "13C chemical shifts" 1026 "15N chemical shifts" 345 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-11 update BMRB 'complete entry citation' 2008-12-03 update author 'update entry title' 2008-11-20 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 4886 'Backbone 1H and 15N chemical shifts assignments of folded Azotobacter vinelandii C69A apoflavodoxin' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Extensive formation of off-pathway species during folding of an alpha-beta parallel protein is due to docking of (non)native structure elements in unfolded molecules' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19053416 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nabuurs Sanne M. . 2 Westphal Adrie H. . 3 'van Mierlo' Carlo P.M. . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_volume 130 _Journal_issue 50 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 16914 _Page_last 16920 _Year 2008 _Details . loop_ _Keyword 'denatured protein' NMR 'protein folding' 'relaxation rates' 'residual structure' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Unfolded apoflavodoxin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Apoflavodoxin $Apoflavodoxin stop_ _System_molecular_weight 20000 _System_physical_state denatured _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Apoflavodoxin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Apoflavodoxin _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 179 _Mol_residue_sequence ; AKIGLFFGSNTGKTRKVAKS IKKRFDDETMSDALNVNRVS AEDFAQYQFLILGTPTLGEG ELPGLSSDAENESWEEFLPK IEGLDFSGKTVALFGLGDQV GYPENYLDALGELYSFFKDR GAKIVGSWSTDGYEFESSEA VVDGKFVGLALDLDNQSGKT DERVAAWLAQIAPEFGLSL ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 LYS 3 ILE 4 GLY 5 LEU 6 PHE 7 PHE 8 GLY 9 SER 10 ASN 11 THR 12 GLY 13 LYS 14 THR 15 ARG 16 LYS 17 VAL 18 ALA 19 LYS 20 SER 21 ILE 22 LYS 23 LYS 24 ARG 25 PHE 26 ASP 27 ASP 28 GLU 29 THR 30 MET 31 SER 32 ASP 33 ALA 34 LEU 35 ASN 36 VAL 37 ASN 38 ARG 39 VAL 40 SER 41 ALA 42 GLU 43 ASP 44 PHE 45 ALA 46 GLN 47 TYR 48 GLN 49 PHE 50 LEU 51 ILE 52 LEU 53 GLY 54 THR 55 PRO 56 THR 57 LEU 58 GLY 59 GLU 60 GLY 61 GLU 62 LEU 63 PRO 64 GLY 65 LEU 66 SER 67 SER 68 ASP 69 ALA 70 GLU 71 ASN 72 GLU 73 SER 74 TRP 75 GLU 76 GLU 77 PHE 78 LEU 79 PRO 80 LYS 81 ILE 82 GLU 83 GLY 84 LEU 85 ASP 86 PHE 87 SER 88 GLY 89 LYS 90 THR 91 VAL 92 ALA 93 LEU 94 PHE 95 GLY 96 LEU 97 GLY 98 ASP 99 GLN 100 VAL 101 GLY 102 TYR 103 PRO 104 GLU 105 ASN 106 TYR 107 LEU 108 ASP 109 ALA 110 LEU 111 GLY 112 GLU 113 LEU 114 TYR 115 SER 116 PHE 117 PHE 118 LYS 119 ASP 120 ARG 121 GLY 122 ALA 123 LYS 124 ILE 125 VAL 126 GLY 127 SER 128 TRP 129 SER 130 THR 131 ASP 132 GLY 133 TYR 134 GLU 135 PHE 136 GLU 137 SER 138 SER 139 GLU 140 ALA 141 VAL 142 VAL 143 ASP 144 GLY 145 LYS 146 PHE 147 VAL 148 GLY 149 LEU 150 ALA 151 LEU 152 ASP 153 LEU 154 ASP 155 ASN 156 GLN 157 SER 158 GLY 159 LYS 160 THR 161 ASP 162 GLU 163 ARG 164 VAL 165 ALA 166 ALA 167 TRP 168 LEU 169 ALA 170 GLN 171 ILE 172 ALA 173 PRO 174 GLU 175 PHE 176 GLY 177 LEU 178 SER 179 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17465 aII 100.00 179 100.00 100.00 7.46e-123 PDB 1YOB "C69a Flavodoxin Ii From Azotobacter Vinelandii" 100.00 179 100.00 100.00 7.46e-123 GB AAA22154 "flavodoxin [Azotobacter vinelandii]" 100.00 180 99.44 99.44 1.93e-122 GB AAA64735 "flavodoxin (nifF) [Azotobacter vinelandii]" 100.00 180 99.44 99.44 1.93e-122 GB ACO76434 "Flavodoxin, nifF [Azotobacter vinelandii DJ]" 100.00 180 99.44 99.44 1.93e-122 GB AGK13779 "Flavodoxin, nifF [Azotobacter vinelandii CA]" 100.00 180 99.44 99.44 1.93e-122 GB AGK18380 "Flavodoxin, nifF [Azotobacter vinelandii CA6]" 100.00 180 99.44 99.44 1.93e-122 PRF 752055A flavodoxin 100.00 179 98.88 99.44 1.11e-121 REF WP_012698862 "flavodoxin-2 [Azotobacter vinelandii]" 100.00 180 99.44 99.44 1.93e-122 SP P00324 "RecName: Full=Flavodoxin-2" 100.00 180 99.44 99.44 1.93e-122 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Apoflavodoxin '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 $Apoflavodoxin 'recombinant technology' . Escherichia coli . puc stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_fld_6M_GuHCl _Saveframe_category sample _Sample_type solution _Details 'Apoflavodoxin in 6.0 M GuHCl' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Apoflavodoxin 1.5 mM '[U-99% 13C; U-99% 15N]' D2O 10 % . DSS 5 mM 'natural abundance' 'Potassium Pyrophosphate' 100 mM 'natural abundance' 'Guanidinium Hydrochloride' 6.0 M 'natural abundance' stop_ save_ save_fld_3.4M_GuHCl _Saveframe_category sample _Sample_type solution _Details 'Apoflavodoxin in 3.4 M GuHCl' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Apoflavodoxin 1.5 mM '[U-99% 13C; U-99% 15N]' D2O 10 % 'natural abundance' DSS 5 mM 'natural abundance' 'Potassium Pyrophosphate' 100 mM 'natural abundance' 'Guanidinium Hydrochloride' 3.4 M 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $fld_6M_GuHCl save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $fld_6M_GuHCl save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $fld_6M_GuHCl save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $fld_6M_GuHCl save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $fld_6M_GuHCl save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $fld_6M_GuHCl save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $fld_3.4M_GuHCl save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $fld_3.4M_GuHCl save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $fld_3.4M_GuHCl save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $fld_3.4M_GuHCl save_ save_3D_CBCA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $fld_3.4M_GuHCl save_ save_2D_1H-15N_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $fld_3.4M_GuHCl save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . pH pressure 1 . atm temperature 298 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_shifts_6M_GuHCl _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D CBCA(CO)NH' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $fld_6M_GuHCl stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Apoflavodoxin _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 1 ALA C C 174.269 . . 2 1 1 ALA CA C 52.019 . . 3 1 1 ALA CB C 19.928 . . 4 2 2 LYS H H 8.595 . . 5 2 2 LYS C C 176.796 . . 6 2 2 LYS CA C 56.551 . . 7 2 2 LYS N N 122.309 . . 8 3 3 ILE H H 8.176 . . 9 3 3 ILE C C 176.989 . . 10 3 3 ILE CA C 61.399 . . 11 3 3 ILE CB C 39.143 . . 12 3 3 ILE N N 122.499 . . 13 4 4 GLY H H 8.393 . . 14 4 4 GLY C C 174.158 . . 15 4 4 GLY CA C 45.487 . . 16 4 4 GLY N N 113.499 . . 17 5 5 LEU H H 7.985 . . 18 5 5 LEU C C 177.279 . . 19 5 5 LEU CA C 55.328 . . 20 5 5 LEU CB C 42.801 . . 21 5 5 LEU N N 122.526 . . 22 6 6 PHE H H 8.168 . . 23 6 6 PHE C C 175.997 . . 24 6 6 PHE CA C 57.617 . . 25 6 6 PHE CB C 40.040 . . 26 6 6 PHE N N 120.913 . . 27 7 7 PHE H H 8.246 . . 28 7 7 PHE C C 176.635 . . 29 7 7 PHE CA C 57.955 . . 30 7 7 PHE CB C 40.042 . . 31 7 7 PHE N N 122.468 . . 32 8 8 GLY H H 8.062 . . 33 8 8 GLY C C 174.537 . . 34 8 8 GLY CA C 45.627 . . 35 8 8 GLY N N 110.508 . . 36 9 9 SER H H 8.241 . . 37 9 9 SER C C 175.080 . . 38 9 9 SER CA C 58.529 . . 39 9 9 SER CB C 64.246 . . 40 9 9 SER N N 116.209 . . 41 10 10 ASN H H 8.625 . . 42 10 10 ASN C C 176.000 . . 43 10 10 ASN CA C 53.492 . . 44 10 10 ASN CB C 39.110 . . 45 10 10 ASN N N 121.604 . . 46 11 11 THR H H 8.067 . . 47 11 11 THR C C 175.674 . . 48 11 11 THR CA C 62.003 . . 49 11 11 THR CB C 70.119 . . 50 11 11 THR N N 113.342 . . 51 12 12 GLY H H 8.399 . . 52 12 12 GLY C C 174.548 . . 53 12 12 GLY CA C 45.600 . . 54 12 12 GLY N N 111.692 . . 55 13 13 LYS H H 8.172 . . 56 13 13 LYS C C 177.429 . . 57 13 13 LYS CA C 56.657 . . 58 13 13 LYS CB C 33.151 . . 59 13 13 LYS N N 121.446 . . 60 14 14 THR H H 8.184 . . 61 14 14 THR C C 175.096 . . 62 14 14 THR CA C 61.917 . . 63 14 14 THR CB C 70.227 . . 64 14 14 THR N N 115.847 . . 65 15 15 ARG H H 8.381 . . 66 15 15 ARG C C 176.651 . . 67 15 15 ARG CA C 56.219 . . 68 15 15 ARG CB C 31.217 . . 69 15 15 ARG N N 124.389 . . 70 16 16 LYS H H 8.385 . . 71 16 16 LYS C C 177.034 . . 72 16 16 LYS CA C 56.569 . . 73 16 16 LYS CB C 33.335 . . 74 16 16 LYS N N 124.076 . . 75 17 17 VAL H H 8.123 . . 76 17 17 VAL C C 176.332 . . 77 17 17 VAL CA C 62.053 . . 78 17 17 VAL CB C 33.182 . . 79 17 17 VAL N N 121.887 . . 80 18 18 ALA H H 8.346 . . 81 18 18 ALA C C 178.094 . . 82 18 18 ALA CA C 52.533 . . 83 18 18 ALA CB C 19.757 . . 84 18 18 ALA N N 128.511 . . 85 19 19 LYS H H 8.296 . . 86 19 19 LYS C C 177.153 . . 87 19 19 LYS CA C 56.645 . . 88 19 19 LYS CB C 33.420 . . 89 19 19 LYS N N 121.808 . . 90 20 20 SER H H 8.321 . . 91 20 20 SER C C 175.019 . . 92 20 20 SER CA C 58.210 . . 93 20 20 SER CB C 64.050 . . 94 20 20 SER N N 117.647 . . 95 21 21 ILE H H 8.157 . . 96 21 21 ILE C C 176.637 . . 97 21 21 ILE CA C 61.181 . . 98 21 21 ILE CB C 38.917 . . 99 21 21 ILE N N 123.197 . . 100 22 22 LYS H H 8.298 . . 101 22 22 LYS C C 176.913 . . 102 22 22 LYS CA C 56.455 . . 103 22 22 LYS CB C 33.280 . . 104 22 22 LYS N N 126.002 . . 105 23 23 LYS H H 8.303 . . 106 23 23 LYS C C 176.803 . . 107 23 23 LYS CA C 56.511 . . 108 23 23 LYS CB C 33.405 . . 109 23 23 LYS N N 124.046 . . 110 24 24 ARG H H 8.290 . . 111 24 24 ARG C C 176.542 . . 112 24 24 ARG CA C 56.271 . . 113 24 24 ARG CB C 31.370 . . 114 24 24 ARG N N 122.968 . . 115 25 25 PHE H H 8.322 . . 116 25 25 PHE C C 176.123 . . 117 25 25 PHE CA C 57.699 . . 118 25 25 PHE CB C 40.055 . . 119 25 25 PHE N N 121.540 . . 120 26 26 ASP H H 8.436 . . 121 26 26 ASP C C 176.328 . . 122 26 26 ASP CA C 54.421 . . 123 26 26 ASP CB C 41.638 . . 124 26 26 ASP N N 122.221 . . 125 27 27 ASP H H 8.266 . . 126 27 27 ASP C C 176.977 . . 127 27 27 ASP CA C 54.460 . . 128 27 27 ASP CB C 41.637 . . 129 27 27 ASP N N 120.870 . . 130 28 28 GLU H H 8.443 . . 131 28 28 GLU C C 177.395 . . 132 28 28 GLU CA C 57.000 . . 133 28 28 GLU CB C 30.399 . . 134 28 28 GLU N N 121.297 . . 135 29 29 THR H H 8.215 . . 136 29 29 THR C C 175.451 . . 137 29 29 THR CA C 62.207 . . 138 29 29 THR CB C 70.123 . . 139 29 29 THR N N 114.563 . . 140 30 30 MET H H 8.340 . . 141 30 30 MET C C 176.862 . . 142 30 30 MET CA C 55.799 . . 143 30 30 MET CB C 33.225 . . 144 30 30 MET N N 122.832 . . 145 31 31 SER H H 8.262 . . 146 31 31 SER C C 174.971 . . 147 31 31 SER CA C 58.612 . . 148 31 31 SER CB C 64.093 . . 149 31 31 SER N N 117.087 . . 150 32 32 ASP H H 8.429 . . 151 32 32 ASP C C 176.567 . . 152 32 32 ASP CA C 54.437 . . 153 32 32 ASP CB C 41.602 . . 154 32 32 ASP N N 123.252 . . 155 33 33 ALA H H 8.132 . . 156 33 33 ALA C C 178.128 . . 157 33 33 ALA CA C 52.784 . . 158 33 33 ALA CB C 19.711 . . 159 33 33 ALA N N 123.901 . . 160 34 34 LEU H H 8.144 . . 161 34 34 LEU C C 177.700 . . 162 34 34 LEU CA C 55.474 . . 163 34 34 LEU CB C 42.629 . . 164 34 34 LEU N N 121.144 . . 165 35 35 ASN H H 8.371 . . 166 35 35 ASN C C 175.823 . . 167 35 35 ASN CA C 53.313 . . 168 35 35 ASN CB C 39.084 . . 169 35 35 ASN N N 120.159 . . 170 36 36 VAL H H 7.962 . . 171 36 36 VAL C C 176.277 . . 172 36 36 VAL CA C 62.424 . . 173 36 36 VAL CB C 33.013 . . 174 36 36 VAL N N 119.508 . . 175 37 37 ASN H H 8.440 . . 176 37 37 ASN C C 175.594 . . 177 37 37 ASN CA C 53.398 . . 178 37 37 ASN CB C 39.311 . . 179 37 37 ASN N N 122.082 . . 180 38 38 ARG H H 8.204 . . 181 38 38 ARG C C 176.759 . . 182 38 38 ARG CA C 56.340 . . 183 38 38 ARG CB C 30.996 . . 184 38 38 ARG N N 122.038 . . 185 39 39 VAL H H 8.143 . . 186 39 39 VAL C C 176.713 . . 187 39 39 VAL CA C 62.448 . . 188 39 39 VAL CB C 33.040 . . 189 39 39 VAL N N 121.321 . . 190 40 40 SER H H 8.383 . . 191 40 40 SER C C 174.983 . . 192 40 40 SER CA C 58.252 . . 193 40 40 SER CB C 64.281 . . 194 40 40 SER N N 119.898 . . 195 41 41 ALA H H 8.350 . . 196 41 41 ALA C C 178.371 . . 197 41 41 ALA CA C 53.125 . . 198 41 41 ALA CB C 19.717 . . 199 41 41 ALA N N 126.509 . . 200 42 42 GLU H H 8.318 . . 201 42 42 GLU C C 176.817 . . 202 42 42 GLU CA C 56.839 . . 203 42 42 GLU CB C 30.355 . . 204 42 42 GLU N N 119.321 . . 205 43 43 ASP H H 8.185 . . 206 43 43 ASP C C 176.583 . . 207 43 43 ASP CA C 54.489 . . 208 43 43 ASP CB C 41.568 . . 209 43 43 ASP N N 121.017 . . 210 44 44 PHE H H 8.023 . . 211 44 44 PHE C C 176.203 . . 212 44 44 PHE CA C 57.861 . . 213 44 44 PHE CB C 39.882 . . 214 44 44 PHE N N 120.414 . . 215 45 45 ALA H H 8.194 . . 216 45 45 ALA C C 178.035 . . 217 45 45 ALA CA C 52.692 . . 218 45 45 ALA CB C 19.697 . . 219 45 45 ALA N N 124.990 . . 220 46 46 GLN H H 8.168 . . 221 46 46 GLN C C 176.331 . . 222 46 46 GLN CA C 56.302 . . 223 46 46 GLN CB C 29.709 . . 224 46 46 GLN N N 119.576 . . 225 47 47 TYR H H 8.039 . . 226 47 47 TYR C C 176.356 . . 227 47 47 TYR CA C 57.774 . . 228 47 47 TYR CB C 38.940 . . 229 47 47 TYR N N 120.792 . . 230 48 48 GLN H H 8.242 . . 231 48 48 GLN C C 175.998 . . 232 48 48 GLN CA C 56.275 . . 233 48 48 GLN CB C 29.721 . . 234 48 48 GLN N N 121.796 . . 235 49 49 PHE H H 8.032 . . 236 49 49 PHE C C 175.958 . . 237 49 49 PHE CA C 57.705 . . 238 49 49 PHE CB C 39.733 . . 239 49 49 PHE N N 120.847 . . 240 50 50 LEU H H 8.146 . . 241 50 50 LEU C C 177.277 . . 242 50 50 LEU CA C 55.318 . . 243 50 50 LEU CB C 42.824 . . 244 50 50 LEU N N 123.883 . . 245 51 51 ILE H H 8.129 . . 246 51 51 ILE C C 176.635 . . 247 51 51 ILE CA C 61.193 . . 248 51 51 ILE CB C 38.594 . . 249 51 51 ILE N N 122.968 . . 250 52 52 LEU H H 8.290 . . 251 52 52 LEU C C 178.208 . . 252 52 52 LEU CA C 55.248 . . 253 52 52 LEU CB C 42.627 . . 254 52 52 LEU N N 126.825 . . 255 53 53 GLY H H 8.324 . . 256 53 53 GLY C C 174.293 . . 257 53 53 GLY CA C 45.358 . . 258 53 53 GLY N N 110.183 . . 259 54 54 THR H H 8.070 . . 260 54 54 THR C C 173.620 . . 261 54 54 THR CA C 59.927 . . 262 54 54 THR CB C 69.854 . . 263 54 54 THR N N 115.869 . . 264 55 55 PRO C C 177.547 . . 265 55 55 PRO CA C 63.508 . . 266 55 55 PRO CB C 32.280 . . 267 56 56 THR H H 8.221 . . 268 56 56 THR C C 175.237 . . 269 56 56 THR CA C 61.906 . . 270 56 56 THR CB C 70.144 . . 271 56 56 THR N N 115.024 . . 272 57 57 LEU H H 8.268 . . 273 57 57 LEU C C 178.258 . . 274 57 57 LEU CA C 55.517 . . 275 57 57 LEU CB C 42.652 . . 276 57 57 LEU N N 124.897 . . 277 58 58 GLY H H 8.489 . . 278 58 58 GLY C C 174.712 . . 279 58 58 GLY CA C 45.462 . . 280 58 58 GLY N N 110.608 . . 281 59 59 GLU H H 8.331 . . 282 59 59 GLU C C 177.615 . . 283 59 59 GLU CA C 56.960 . . 284 59 59 GLU CB C 30.580 . . 285 59 59 GLU N N 121.130 . . 286 60 60 GLY H H 8.465 . . 287 60 60 GLY C C 174.407 . . 288 60 60 GLY CA C 45.445 . . 289 60 60 GLY N N 110.295 . . 290 61 61 GLU H H 8.175 . . 291 61 61 GLU C C 176.853 . . 292 61 61 GLU CA C 56.325 . . 293 61 61 GLU CB C 30.837 . . 294 61 61 GLU N N 120.892 . . 295 62 62 LEU H H 8.304 . . 296 62 62 LEU C C 175.842 . . 297 62 62 LEU CA C 53.277 . . 298 62 62 LEU CB C 41.774 . . 299 62 62 LEU N N 124.229 . . 300 63 63 PRO C C 177.962 . . 301 63 63 PRO CA C 63.473 . . 302 63 63 PRO CB C 32.313 . . 303 64 64 GLY H H 8.432 . . 304 64 64 GLY C C 174.523 . . 305 64 64 GLY CA C 45.512 . . 306 64 64 GLY N N 109.930 . . 307 65 65 LEU H H 8.119 . . 308 65 65 LEU C C 178.186 . . 309 65 65 LEU CA C 55.310 . . 310 65 65 LEU CB C 42.859 . . 311 65 65 LEU N N 122.247 . . 312 66 66 SER H H 8.368 . . 313 66 66 SER C C 175.344 . . 314 66 66 SER CA C 58.536 . . 315 66 66 SER CB C 64.115 . . 316 66 66 SER N N 117.272 . . 317 67 67 SER H H 8.380 . . 318 67 67 SER C C 175.030 . . 319 67 67 SER CA C 58.650 . . 320 67 67 SER CB C 64.095 . . 321 67 67 SER N N 118.078 . . 322 68 68 ASP H H 8.394 . . 323 68 68 ASP C C 176.641 . . 324 68 68 ASP CA C 54.635 . . 325 68 68 ASP CB C 41.530 . . 326 68 68 ASP N N 122.801 . . 327 69 69 ALA H H 8.100 . . 328 69 69 ALA C C 178.408 . . 329 69 69 ALA CA C 52.945 . . 330 69 69 ALA CB C 19.730 . . 331 69 69 ALA N N 123.770 . . 332 70 70 GLU H H 8.307 . . 333 70 70 GLU C C 176.936 . . 334 70 70 GLU CA C 56.839 . . 335 70 70 GLU CB C 30.322 . . 336 70 70 GLU N N 119.717 . . 337 71 71 ASN H H 8.267 . . 338 71 71 ASN C C 175.785 . . 339 71 71 ASN CA C 53.424 . . 340 71 71 ASN CB C 39.324 . . 341 71 71 ASN N N 119.322 . . 342 72 72 GLU H H 8.362 . . 343 72 72 GLU C C 177.017 . . 344 72 72 GLU CA C 56.749 . . 345 72 72 GLU CB C 30.589 . . 346 72 72 GLU N N 121.467 . . 347 73 73 SER H H 8.313 . . 348 73 73 SER C C 175.011 . . 349 73 73 SER CA C 58.678 . . 350 73 73 SER CB C 64.083 . . 351 73 73 SER N N 116.783 . . 352 74 74 TRP H H 8.106 . . 353 74 74 TRP C C 176.742 . . 354 74 74 TRP CA C 57.617 . . 355 74 74 TRP CB C 29.954 . . 356 74 74 TRP N N 123.431 . . 357 75 75 GLU H H 8.156 . . 358 75 75 GLU C C 176.610 . . 359 75 75 GLU CA C 56.642 . . 360 75 75 GLU CB C 30.553 . . 361 75 75 GLU N N 122.205 . . 362 76 76 GLU H H 8.199 . . 363 76 76 GLU C C 176.420 . . 364 76 76 GLU CA C 56.660 . . 365 76 76 GLU CB C 30.680 . . 366 76 76 GLU N N 121.881 . . 367 77 77 PHE H H 8.167 . . 368 77 77 PHE C C 175.660 . . 369 77 77 PHE CA C 57.481 . . 370 77 77 PHE CB C 39.974 . . 371 77 77 PHE N N 121.384 . . 372 78 78 LEU H H 8.130 . . 373 78 78 LEU C C 175.192 . . 374 78 78 LEU CA C 52.760 . . 375 78 78 LEU CB C 42.109 . . 376 78 78 LEU N N 125.740 . . 377 79 79 PRO C C 177.245 . . 378 79 79 PRO CA C 63.018 . . 379 79 79 PRO CB C 32.285 . . 380 80 80 LYS H H 8.450 . . 381 80 80 LYS C C 177.164 . . 382 80 80 LYS CA C 56.776 . . 383 80 80 LYS CB C 33.061 . . 384 80 80 LYS N N 123.117 . . 385 81 81 ILE H H 8.167 . . 386 81 81 ILE C C 176.584 . . 387 81 81 ILE CA C 61.193 . . 388 81 81 ILE CB C 38.917 . . 389 81 81 ILE N N 122.905 . . 390 82 82 GLU H H 8.458 . . 391 82 82 GLU C C 177.288 . . 392 82 82 GLU CA C 56.702 . . 393 82 82 GLU CB C 30.682 . . 394 82 82 GLU N N 125.474 . . 395 83 83 GLY H H 8.364 . . 396 83 83 GLY C C 174.422 . . 397 83 83 GLY CA C 45.610 . . 398 83 83 GLY N N 110.607 . . 399 84 84 LEU H H 8.055 . . 400 84 84 LEU C C 177.464 . . 401 84 84 LEU CA C 55.326 . . 402 84 84 LEU CB C 42.853 . . 403 84 84 LEU N N 121.946 . . 404 85 85 ASP H H 8.347 . . 405 85 85 ASP C C 176.463 . . 406 85 85 ASP CA C 54.185 . . 407 85 85 ASP CB C 41.634 . . 408 85 85 ASP N N 121.113 . . 409 86 86 PHE H H 8.196 . . 410 86 86 PHE C C 176.467 . . 411 86 86 PHE CA C 57.905 . . 412 86 86 PHE CB C 39.767 . . 413 86 86 PHE N N 121.364 . . 414 87 87 SER H H 8.360 . . 415 87 87 SER C C 175.465 . . 416 87 87 SER CA C 58.774 . . 417 87 87 SER CB C 64.256 . . 418 87 87 SER N N 117.756 . . 419 88 88 GLY H H 8.090 . . 420 88 88 GLY C C 174.412 . . 421 88 88 GLY CA C 45.618 . . 422 88 88 GLY N N 111.145 . . 423 89 89 LYS H H 8.172 . . 424 89 89 LYS C C 177.400 . . 425 89 89 LYS CA C 56.657 . . 426 89 89 LYS CB C 33.515 . . 427 89 89 LYS N N 121.446 . . 428 90 90 THR H H 8.207 . . 429 90 90 THR C C 175.119 . . 430 90 90 THR CA C 61.959 . . 431 90 90 THR CB C 70.206 . . 432 90 90 THR N N 116.109 . . 433 91 91 VAL H H 8.096 . . 434 91 91 VAL C C 176.094 . . 435 91 91 VAL CA C 62.096 . . 436 91 91 VAL CB C 33.137 . . 437 91 91 VAL N N 122.534 . . 438 92 92 ALA H H 8.258 . . 439 92 92 ALA C C 177.719 . . 440 92 92 ALA CA C 52.391 . . 441 92 92 ALA CB C 19.723 . . 442 92 92 ALA N N 127.883 . . 443 93 93 LEU H H 8.095 . . 444 93 93 LEU C C 177.486 . . 445 93 93 LEU CA C 55.318 . . 446 93 93 LEU CB C 42.800 . . 447 93 93 LEU N N 122.472 . . 448 94 94 PHE H H 8.138 . . 449 94 94 PHE C C 176.793 . . 450 94 94 PHE CA C 57.656 . . 451 94 94 PHE CB C 40.057 . . 452 94 94 PHE N N 120.251 . . 453 95 95 GLY H H 8.393 . . 454 95 95 GLY C C 174.593 . . 455 95 95 GLY CA C 45.638 . . 456 95 95 GLY N N 110.825 . . 457 96 96 LEU H H 8.148 . . 458 96 96 LEU C C 178.496 . . 459 96 96 LEU CA C 55.578 . . 460 96 96 LEU CB C 42.641 . . 461 96 96 LEU N N 122.065 . . 462 97 97 GLY H H 8.431 . . 463 97 97 GLY C C 174.523 . . 464 97 97 GLY CA C 45.630 . . 465 97 97 GLY N N 109.930 . . 466 98 98 ASP H H 8.261 . . 467 98 98 ASP C C 176.821 . . 468 98 98 ASP CA C 54.460 . . 469 98 98 ASP CB C 41.637 . . 470 98 98 ASP N N 121.083 . . 471 99 99 GLN H H 8.337 . . 472 99 99 GLN C C 176.417 . . 473 99 99 GLN CA C 56.110 . . 474 99 99 GLN CB C 29.649 . . 475 99 99 GLN N N 120.439 . . 476 100 100 VAL H H 8.008 . . 477 100 100 VAL C C 176.936 . . 478 100 100 VAL CA C 62.481 . . 479 100 100 VAL CB C 33.041 . . 480 100 100 VAL N N 120.473 . . 481 101 101 GLY H H 8.309 . . 482 101 101 GLY C C 173.774 . . 483 101 101 GLY CA C 45.215 . . 484 101 101 GLY N N 112.520 . . 485 102 102 TYR H H 8.082 . . 486 102 102 TYR C C 174.636 . . 487 102 102 TYR CA C 56.157 . . 488 102 102 TYR CB C 38.484 . . 489 102 102 TYR N N 121.224 . . 490 103 103 PRO C C 177.390 . . 491 103 103 PRO CA C 63.372 . . 492 103 103 PRO CB C 32.189 . . 493 104 104 GLU H H 8.554 . . 494 104 104 GLU C C 176.871 . . 495 104 104 GLU CA C 57.288 . . 496 104 104 GLU CB C 30.241 . . 497 104 104 GLU N N 121.351 . . 498 105 105 ASN H H 8.345 . . 499 105 105 ASN C C 175.608 . . 500 105 105 ASN CA C 53.305 . . 501 105 105 ASN CB C 39.197 . . 502 105 105 ASN N N 118.880 . . 503 106 106 TYR H H 8.060 . . 504 106 106 TYR C C 176.386 . . 505 106 106 TYR CA C 58.478 . . 506 106 106 TYR CB C 38.955 . . 507 106 106 TYR N N 120.967 . . 508 107 107 LEU H H 8.091 . . 509 107 107 LEU C C 177.663 . . 510 107 107 LEU CA C 55.525 . . 511 107 107 LEU CB C 42.451 . . 512 107 107 LEU N N 123.037 . . 513 108 108 ASP H H 8.185 . . 514 108 108 ASP C C 176.583 . . 515 108 108 ASP CA C 54.489 . . 516 108 108 ASP CB C 41.568 . . 517 108 108 ASP N N 121.059 . . 518 109 109 ALA H H 8.093 . . 519 109 109 ALA C C 178.280 . . 520 109 109 ALA CA C 52.940 . . 521 109 109 ALA CB C 19.740 . . 522 109 109 ALA N N 123.889 . . 523 110 110 LEU H H 8.126 . . 524 110 110 LEU C C 178.502 . . 525 110 110 LEU CA C 55.668 . . 526 110 110 LEU CB C 42.539 . . 527 110 110 LEU N N 121.052 . . 528 111 111 GLY H H 8.264 . . 529 111 111 GLY C C 174.637 . . 530 111 111 GLY CA C 45.651 . . 531 111 111 GLY N N 109.450 . . 532 112 112 GLU H H 8.216 . . 533 112 112 GLU C C 177.013 . . 534 112 112 GLU CA C 56.585 . . 535 112 112 GLU CB C 30.598 . . 536 112 112 GLU N N 121.026 . . 537 113 113 LEU H H 8.190 . . 538 113 113 LEU C C 177.538 . . 539 113 113 LEU CA C 55.550 . . 540 113 113 LEU CB C 42.544 . . 541 113 113 LEU N N 122.963 . . 542 114 114 TYR H H 8.087 . . 543 114 114 TYR C C 176.423 . . 544 114 114 TYR CA C 57.978 . . 545 114 114 TYR CB C 39.149 . . 546 114 114 TYR N N 120.749 . . 547 115 115 SER H H 8.120 . . 548 115 115 SER C C 174.550 . . 549 115 115 SER CA C 58.233 . . 550 115 115 SER CB C 64.052 . . 551 115 115 SER N N 117.260 . . 552 116 116 PHE H H 8.140 . . 553 116 116 PHE C C 176.075 . . 554 116 116 PHE CA C 58.271 . . 555 116 116 PHE CB C 39.957 . . 556 116 116 PHE N N 122.802 . . 557 117 117 PHE H H 8.141 . . 558 117 117 PHE C C 176.233 . . 559 117 117 PHE CA C 57.949 . . 560 117 117 PHE CB C 39.951 . . 561 117 117 PHE N N 121.092 . . 562 118 118 LYS H H 8.176 . . 563 118 118 LYS C C 176.545 . . 564 118 118 LYS CA C 56.664 . . 565 118 118 LYS CB C 33.341 . . 566 118 118 LYS N N 122.913 . . 567 119 119 ASP H H 8.278 . . 568 119 119 ASP C C 176.774 . . 569 119 119 ASP CA C 54.378 . . 570 119 119 ASP CB C 41.624 . . 571 119 119 ASP N N 121.837 . . 572 120 120 ARG H H 8.283 . . 573 120 120 ARG C C 177.300 . . 574 120 120 ARG CA C 56.645 . . 575 120 120 ARG CB C 30.947 . . 576 120 120 ARG N N 121.858 . . 577 121 121 GLY H H 8.432 . . 578 121 121 GLY C C 174.259 . . 579 121 121 GLY CA C 45.512 . . 580 121 121 GLY N N 109.868 . . 581 122 122 ALA H H 8.083 . . 582 122 122 ALA C C 178.191 . . 583 122 122 ALA CA C 52.540 . . 584 122 122 ALA CB C 19.820 . . 585 122 122 ALA N N 124.084 . . 586 123 123 LYS H H 8.287 . . 587 123 123 LYS C C 176.935 . . 588 123 123 LYS CA C 56.645 . . 589 123 123 LYS CB C 33.137 . . 590 123 123 LYS N N 121.664 . . 591 124 124 ILE H H 8.172 . . 592 124 124 ILE C C 177.750 . . 593 124 124 ILE CA C 61.148 . . 594 124 124 ILE CB C 38.750 . . 595 124 124 ILE N N 123.422 . . 596 125 125 VAL H H 8.150 . . 597 125 125 VAL C C 176.915 . . 598 125 125 VAL CA C 62.389 . . 599 125 125 VAL CB C 33.085 . . 600 125 125 VAL N N 124.856 . . 601 126 126 GLY H H 8.314 . . 602 126 126 GLY C C 174.442 . . 603 126 126 GLY CA C 45.365 . . 604 126 126 GLY N N 113.116 . . 605 127 127 SER H H 8.124 . . 606 127 127 SER C C 174.914 . . 607 127 127 SER CA C 58.379 . . 608 127 127 SER CB C 64.042 . . 609 127 127 SER N N 116.139 . . 610 128 128 TRP H H 8.177 . . 611 128 128 TRP C C 176.809 . . 612 128 128 TRP CA C 57.640 . . 613 128 128 TRP CB C 30.042 . . 614 128 128 TRP N N 123.291 . . 615 129 129 SER H H 8.136 . . 616 129 129 SER C C 175.301 . . 617 129 129 SER CA C 58.332 . . 618 129 129 SER CB C 64.200 . . 619 129 129 SER N N 117.082 . . 620 130 130 THR H H 8.129 . . 621 130 130 THR C C 174.987 . . 622 130 130 THR CA C 61.892 . . 623 130 130 THR CB C 69.936 . . 624 130 130 THR N N 115.332 . . 625 131 131 ASP H H 8.322 . . 626 131 131 ASP C C 177.042 . . 627 131 131 ASP CA C 54.598 . . 628 131 131 ASP CB C 41.696 . . 629 131 131 ASP N N 122.338 . . 630 132 132 GLY H H 8.211 . . 631 132 132 GLY C C 174.350 . . 632 132 132 GLY CA C 45.596 . . 633 132 132 GLY N N 109.195 . . 634 133 133 TYR H H 8.062 . . 635 133 133 TYR C C 176.540 . . 636 133 133 TYR CA C 58.156 . . 637 133 133 TYR CB C 39.218 . . 638 133 133 TYR N N 120.608 . . 639 134 134 GLU H H 8.406 . . 640 134 134 GLU C C 176.549 . . 641 134 134 GLU CA C 56.829 . . 642 134 134 GLU CB C 30.401 . . 643 134 134 GLU N N 122.828 . . 644 135 135 PHE H H 8.040 . . 645 135 135 PHE C C 176.356 . . 646 135 135 PHE CA C 57.898 . . 647 135 135 PHE CB C 39.733 . . 648 135 135 PHE N N 120.739 . . 649 136 136 GLU H H 8.364 . . 650 136 136 GLU C C 176.826 . . 651 136 136 GLU CA C 56.548 . . 652 136 136 GLU CB C 30.802 . . 653 136 136 GLU N N 122.554 . . 654 137 137 SER H H 8.292 . . 655 137 137 SER C C 175.305 . . 656 137 137 SER CA C 58.389 . . 657 137 137 SER CB C 64.175 . . 658 137 137 SER N N 117.100 . . 659 138 138 SER H H 8.409 . . 660 138 138 SER C C 175.120 . . 661 138 138 SER CA C 58.766 . . 662 138 138 SER CB C 64.083 . . 663 138 138 SER N N 118.518 . . 664 139 139 GLU H H 8.390 . . 665 139 139 GLU C C 176.641 . . 666 139 139 GLU CA C 56.607 . . 667 139 139 GLU CB C 30.553 . . 668 139 139 GLU N N 122.736 . . 669 140 140 ALA H H 8.190 . . 670 140 140 ALA C C 178.035 . . 671 140 140 ALA CA C 52.692 . . 672 140 140 ALA CB C 19.697 . . 673 140 140 ALA N N 124.819 . . 674 141 141 VAL H H 8.000 . . 675 141 141 VAL C C 176.715 . . 676 141 141 VAL CA C 62.404 . . 677 141 141 VAL CB C 32.929 . . 678 141 141 VAL N N 119.985 . . 679 142 142 VAL H H 8.119 . . 680 142 142 VAL C C 176.233 . . 681 142 142 VAL CA C 62.262 . . 682 142 142 VAL CB C 33.072 . . 683 142 142 VAL N N 123.620 . . 684 143 143 ASP H H 8.389 . . 685 143 143 ASP C C 177.019 . . 686 143 143 ASP CA C 54.481 . . 687 143 143 ASP CB C 41.739 . . 688 143 143 ASP N N 124.569 . . 689 144 144 GLY H H 8.250 . . 690 144 144 GLY C C 174.435 . . 691 144 144 GLY CA C 45.651 . . 692 144 144 GLY N N 109.435 . . 693 145 145 LYS H H 8.105 . . 694 145 145 LYS C C 176.801 . . 695 145 145 LYS CA C 56.826 . . 696 145 145 LYS CB C 33.429 . . 697 145 145 LYS N N 121.362 . . 698 146 146 PHE H H 8.305 . . 699 146 146 PHE C C 176.287 . . 700 146 146 PHE CA C 57.699 . . 701 146 146 PHE CB C 39.667 . . 702 146 146 PHE N N 121.495 . . 703 147 147 VAL H H 7.984 . . 704 147 147 VAL C C 176.758 . . 705 147 147 VAL CA C 62.393 . . 706 147 147 VAL CB C 33.093 . . 707 147 147 VAL N N 122.076 . . 708 148 148 GLY H H 8.065 . . 709 148 148 GLY C C 174.269 . . 710 148 148 GLY CA C 45.548 . . 711 148 148 GLY N N 112.426 . . 712 149 149 LEU H H 8.083 . . 713 149 149 LEU C C 177.678 . . 714 149 149 LEU CA C 55.318 . . 715 149 149 LEU CB C 42.800 . . 716 149 149 LEU N N 122.428 . . 717 150 150 ALA H H 8.352 . . 718 150 150 ALA C C 178.069 . . 719 150 150 ALA CA C 52.607 . . 720 150 150 ALA CB C 19.379 . . 721 150 150 ALA N N 125.479 . . 722 151 151 LEU H H 8.134 . . 723 151 151 LEU C C 177.608 . . 724 151 151 LEU CA C 55.497 . . 725 151 151 LEU CB C 42.683 . . 726 151 151 LEU N N 121.826 . . 727 152 152 ASP H H 8.389 . . 728 152 152 ASP C C 176.735 . . 729 152 152 ASP CA C 54.242 . . 730 152 152 ASP CB C 41.224 . . 731 152 152 ASP N N 121.221 . . 732 153 153 LEU H H 8.047 . . 733 153 153 LEU C C 177.784 . . 734 153 153 LEU CA C 55.481 . . 735 153 153 LEU CB C 42.523 . . 736 153 153 LEU N N 122.315 . . 737 154 154 ASP H H 8.354 . . 738 154 154 ASP C C 176.663 . . 739 154 154 ASP CA C 54.515 . . 740 154 154 ASP CB C 41.518 . . 741 154 154 ASP N N 120.712 . . 742 155 155 ASN H H 8.290 . . 743 155 155 ASN C C 175.991 . . 744 155 155 ASN CA C 53.465 . . 745 155 155 ASN CB C 39.230 . . 746 155 155 ASN N N 119.334 . . 747 156 156 GLN H H 8.388 . . 748 156 156 GLN C C 176.698 . . 749 156 156 GLN CA C 56.275 . . 750 156 156 GLN CB C 29.603 . . 751 156 156 GLN N N 120.613 . . 752 157 157 SER H H 8.308 . . 753 157 157 SER C C 175.586 . . 754 157 157 SER CA C 58.678 . . 755 157 157 SER CB C 64.083 . . 756 157 157 SER N N 116.788 . . 757 158 158 GLY H H 8.429 . . 758 158 158 GLY C C 174.571 . . 759 158 158 GLY CA C 45.614 . . 760 158 158 GLY N N 111.444 . . 761 159 159 LYS H H 8.188 . . 762 159 159 LYS C C 177.498 . . 763 159 159 LYS CA C 56.657 . . 764 159 159 LYS CB C 33.515 . . 765 159 159 LYS N N 121.393 . . 766 160 160 THR H H 8.183 . . 767 160 160 THR C C 174.823 . . 768 160 160 THR CA C 61.836 . . 769 160 160 THR CB C 70.137 . . 770 160 160 THR N N 115.195 . . 771 161 161 ASP H H 8.421 . . 772 161 161 ASP C C 176.652 . . 773 161 161 ASP CA C 54.437 . . 774 161 161 ASP CB C 41.602 . . 775 161 161 ASP N N 123.314 . . 776 162 162 GLU H H 8.356 . . 777 162 162 GLU C C 177.017 . . 778 162 162 GLU CA C 56.749 . . 779 162 162 GLU CB C 30.589 . . 780 162 162 GLU N N 121.714 . . 781 163 163 ARG H H 8.365 . . 782 163 163 ARG C C 177.022 . . 783 163 163 ARG CA C 56.548 . . 784 163 163 ARG CB C 30.802 . . 785 163 163 ARG N N 122.467 . . 786 164 164 VAL H H 8.037 . . 787 164 164 VAL C C 176.392 . . 788 164 164 VAL CA C 62.300 . . 789 164 164 VAL CB C 33.020 . . 790 164 164 VAL N N 121.330 . . 791 165 165 ALA H H 8.223 . . 792 165 165 ALA C C 178.211 . . 793 165 165 ALA CA C 52.629 . . 794 165 165 ALA CB C 19.290 . . 795 165 165 ALA N N 127.636 . . 796 166 166 ALA H H 8.214 . . 797 166 166 ALA C C 178.357 . . 798 166 166 ALA CA C 53.430 . . 799 166 166 ALA CB C 19.398 . . 800 166 166 ALA N N 123.776 . . 801 167 167 TRP H H 7.867 . . 802 167 167 TRP C C 176.834 . . 803 167 167 TRP CA C 57.718 . . 804 167 167 TRP CB C 29.433 . . 805 167 167 TRP N N 119.007 . . 806 168 168 LEU H H 7.756 . . 807 168 168 LEU C C 177.459 . . 808 168 168 LEU CA C 55.140 . . 809 168 168 LEU CB C 42.566 . . 810 168 168 LEU N N 123.186 . . 811 169 169 ALA H H 7.957 . . 812 169 169 ALA C C 178.230 . . 813 169 169 ALA CA C 52.793 . . 814 169 169 ALA CB C 19.643 . . 815 169 169 ALA N N 124.170 . . 816 170 170 GLN H H 8.194 . . 817 170 170 GLN C C 176.386 . . 818 170 170 GLN CA C 56.117 . . 819 170 170 GLN CB C 29.736 . . 820 170 170 GLN N N 119.598 . . 821 171 171 ILE H H 7.962 . . 822 171 171 ILE C C 176.051 . . 823 171 171 ILE CA C 61.007 . . 824 171 171 ILE CB C 39.135 . . 825 171 171 ILE N N 121.364 . . 826 172 172 ALA H H 8.277 . . 827 172 172 ALA C C 175.891 . . 828 172 172 ALA CA C 50.815 . . 829 172 172 ALA CB C 18.592 . . 830 172 172 ALA N N 128.942 . . 831 173 173 PRO C C 177.354 . . 832 173 173 PRO CA C 63.302 . . 833 173 173 PRO CB C 32.282 . . 834 174 174 GLU H H 8.482 . . 835 174 174 GLU C C 176.716 . . 836 174 174 GLU CA C 57.012 . . 837 174 174 GLU CB C 30.331 . . 838 174 174 GLU N N 121.201 . . 839 175 175 PHE H H 8.105 . . 840 175 175 PHE C C 176.821 . . 841 175 175 PHE CA C 57.810 . . 842 175 175 PHE CB C 40.047 . . 843 175 175 PHE N N 120.256 . . 844 176 176 GLY H H 8.340 . . 845 176 176 GLY C C 174.372 . . 846 176 176 GLY CA C 45.631 . . 847 176 176 GLY N N 110.592 . . 848 177 177 LEU H H 8.063 . . 849 177 177 LEU C C 177.927 . . 850 177 177 LEU CA C 55.326 . . 851 177 177 LEU CB C 42.853 . . 852 177 177 LEU N N 122.038 . . 853 178 178 SER H H 8.338 . . 854 178 178 SER C C 174.483 . . 855 178 178 SER CA C 58.310 . . 856 178 178 SER CB C 64.029 . . 857 178 178 SER N N 117.847 . . 858 179 179 LEU H H 7.999 . . 859 179 179 LEU C C 175.286 . . 860 179 179 LEU CA C 57.284 . . 861 179 179 LEU CB C 43.146 . . 862 179 179 LEU N N 130.186 . . stop_ save_ save_shifts_3.4M_GuHCl _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D CBCA(CO)NH' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $fld_3.4M_GuHCl stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Apoflavodoxin _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 LYS C C 176.290 . . 2 2 2 LYS CA C 56.469 . . 3 2 2 LYS CB C 33.253 . . 4 3 3 ILE H H 8.188 . . 5 3 3 ILE C C 176.471 . . 6 3 3 ILE CA C 61.354 . . 7 3 3 ILE CB C 39.003 . . 8 3 3 ILE N N 122.446 . . 9 4 4 GLY H H 8.386 . . 10 4 4 GLY C C 173.691 . . 11 4 4 GLY CA C 45.416 . . 12 4 4 GLY N N 113.145 . . 13 5 5 LEU H H 7.967 . . 14 5 5 LEU C C 176.787 . . 15 5 5 LEU CA C 55.329 . . 16 5 5 LEU CB C 42.614 . . 17 5 5 LEU N N 122.122 . . 18 6 6 PHE H H 8.135 . . 19 6 6 PHE C C 175.403 . . 20 6 6 PHE CA C 57.605 . . 21 6 6 PHE CB C 39.863 . . 22 6 6 PHE N N 120.403 . . 23 7 7 PHE H H 8.199 . . 24 7 7 PHE C C 176.036 . . 25 7 7 PHE CA C 57.909 . . 26 7 7 PHE CB C 39.870 . . 27 7 7 PHE N N 122.138 . . 28 8 8 GLY H H 8.017 . . 29 8 8 GLY C C 174.016 . . 30 8 8 GLY CA C 45.518 . . 31 8 8 GLY N N 110.350 . . 32 9 9 SER H H 8.226 . . 33 9 9 SER C C 174.536 . . 34 9 9 SER CA C 58.469 . . 35 9 9 SER CB C 64.128 . . 36 9 9 SER N N 115.914 . . 37 10 10 ASN H H 8.624 . . 38 10 10 ASN C C 175.481 . . 39 10 10 ASN CA C 53.520 . . 40 10 10 ASN CB C 38.950 . . 41 10 10 ASN N N 121.222 . . 42 11 11 THR H H 8.078 . . 43 11 11 THR C C 175.162 . . 44 11 11 THR CA C 62.068 . . 45 11 11 THR CB C 70.021 . . 46 11 11 THR N N 113.362 . . 47 12 12 GLY H H 8.396 . . 48 12 12 GLY C C 174.083 . . 49 12 12 GLY CA C 45.511 . . 50 12 12 GLY N N 111.383 . . 51 13 13 LYS H H 8.159 . . 52 13 13 LYS C C 176.899 . . 53 13 13 LYS CA C 56.589 . . 54 13 13 LYS CB C 33.123 . . 55 13 13 LYS N N 121.176 . . 56 14 14 THR H H 8.163 . . 57 14 14 THR C C 174.478 . . 58 14 14 THR CA C 61.992 . . 59 14 14 THR CB C 70.058 . . 60 14 14 THR N N 115.600 . . 61 15 15 ARG H H 8.352 . . 62 15 15 ARG C C 176.095 . . 63 15 15 ARG CA C 56.208 . . 64 15 15 ARG CB C 31.189 . . 65 15 15 ARG N N 124.176 . . 66 16 16 LYS H H 8.373 . . 67 16 16 LYS C C 176.475 . . 68 16 16 LYS CA C 56.415 . . 69 16 16 LYS CB C 33.249 . . 70 16 16 LYS N N 123.840 . . 71 17 17 VAL H H 8.120 . . 72 17 17 VAL C C 175.764 . . 73 17 17 VAL CA C 62.088 . . 74 17 17 VAL CB C 33.110 . . 75 17 17 VAL N N 121.811 . . 76 18 18 ALA H H 8.348 . . 77 18 18 ALA C C 177.578 . . 78 18 18 ALA CA C 52.541 . . 79 18 18 ALA CB C 19.623 . . 80 18 18 ALA N N 128.384 . . 81 19 19 LYS H H 8.288 . . 82 19 19 LYS C C 176.619 . . 83 19 19 LYS CA C 56.674 . . 84 19 19 LYS CB C 33.380 . . 85 19 19 LYS N N 121.450 . . 86 20 20 SER H H 8.296 . . 87 20 20 SER C C 174.465 . . 88 20 20 SER CA C 58.193 . . 89 20 20 SER CB C 63.939 . . 90 20 20 SER N N 117.253 . . 91 21 21 ILE H H 8.142 . . 92 21 21 ILE C C 176.142 . . 93 21 21 ILE CA C 61.221 . . 94 21 21 ILE CB C 38.877 . . 95 21 21 ILE N N 122.933 . . 96 22 22 LYS H H 8.278 . . 97 22 22 LYS C C 176.379 . . 98 22 22 LYS CA C 56.443 . . 99 22 22 LYS CB C 33.242 . . 100 22 22 LYS N N 125.669 . . 101 23 23 LYS H H 8.276 . . 102 23 23 LYS C C 176.271 . . 103 23 23 LYS CA C 56.465 . . 104 23 23 LYS CB C 33.264 . . 105 23 23 LYS N N 123.546 . . 106 24 24 ARG H H 8.264 . . 107 24 24 ARG C C 176.035 . . 108 24 24 ARG CA C 56.326 . . 109 24 24 ARG CB C 31.302 . . 110 24 24 ARG N N 122.579 . . 111 25 25 PHE H H 8.302 . . 112 25 25 PHE C C 175.517 . . 113 25 25 PHE CA C 57.761 . . 114 25 25 PHE CB C 39.722 . . 115 25 25 PHE N N 121.178 . . 116 26 26 ASP H H 8.364 . . 117 26 26 ASP C C 175.761 . . 118 26 26 ASP CA C 54.337 . . 119 26 26 ASP CB C 41.450 . . 120 26 26 ASP N N 121.827 . . 121 27 27 ASP H H 8.219 . . 122 27 27 ASP C C 176.504 . . 123 27 27 ASP CA C 54.456 . . 124 27 27 ASP CB C 41.476 . . 125 27 27 ASP N N 120.601 . . 126 28 28 GLU H H 8.442 . . 127 28 28 GLU C C 176.906 . . 128 28 28 GLU CA C 57.156 . . 129 28 28 GLU CB C 30.297 . . 130 28 28 GLU N N 121.153 . . 131 29 29 THR H H 8.214 . . 132 29 29 THR C C 174.958 . . 133 29 29 THR CA C 62.422 . . 134 29 29 THR CB C 69.919 . . 135 29 29 THR N N 114.381 . . 136 30 30 MET H H 8.311 . . 137 30 30 MET C C 176.343 . . 138 30 30 MET CA C 55.847 . . 139 30 30 MET CB C 32.939 . . 140 30 30 MET N N 122.491 . . 141 31 31 SER H H 8.233 . . 142 31 31 SER C C 174.482 . . 143 31 31 SER CA C 58.712 . . 144 31 31 SER CB C 63.975 . . 145 31 31 SER N N 116.737 . . 146 32 32 ASP H H 8.391 . . 147 32 32 ASP C C 176.078 . . 148 32 32 ASP CA C 54.520 . . 149 32 32 ASP CB C 41.436 . . 150 32 32 ASP N N 122.811 . . 151 33 33 ALA H H 8.113 . . 152 33 33 ALA C C 177.691 . . 153 33 33 ALA CA C 52.900 . . 154 33 33 ALA CB C 19.524 . . 155 33 33 ALA N N 123.614 . . 156 34 34 LEU H H 8.107 . . 157 34 34 LEU C C 177.185 . . 158 34 34 LEU CA C 55.457 . . 159 34 34 LEU CB C 42.552 . . 160 34 34 LEU N N 120.428 . . 161 35 35 ASN H H 8.314 . . 162 35 35 ASN C C 175.304 . . 163 35 35 ASN CA C 53.298 . . 164 35 35 ASN CB C 38.946 . . 165 35 35 ASN N N 119.645 . . 166 36 36 VAL H H 7.956 . . 167 36 36 VAL C C 175.779 . . 168 36 36 VAL CA C 62.504 . . 169 36 36 VAL CB C 32.819 . . 170 36 36 VAL N N 119.399 . . 171 37 37 ASN H H 8.427 . . 172 37 37 ASN C C 175.003 . . 173 37 37 ASN CA C 53.434 . . 174 37 37 ASN CB C 39.231 . . 175 37 37 ASN N N 121.615 . . 176 38 38 ARG H H 8.167 . . 177 38 38 ARG C C 176.187 . . 178 38 38 ARG CA C 56.349 . . 179 38 38 ARG CB C 31.058 . . 180 38 38 ARG N N 121.699 . . 181 39 39 VAL H H 8.143 . . 182 39 39 VAL C C 176.145 . . 183 39 39 VAL CA C 62.444 . . 184 39 39 VAL CB C 32.966 . . 185 39 39 VAL N N 121.185 . . 186 40 40 SER H H 8.423 . . 187 40 40 SER C C 174.507 . . 188 40 40 SER CA C 58.175 . . 189 40 40 SER CB C 64.213 . . 190 40 40 SER N N 119.803 . . 191 41 41 ALA H H 8.398 . . 192 41 41 ALA C C 178.122 . . 193 41 41 ALA CA C 53.264 . . 194 41 41 ALA CB C 19.427 . . 195 41 41 ALA N N 126.279 . . 196 42 42 GLU H H 8.342 . . 197 42 42 GLU C C 176.439 . . 198 42 42 GLU CA C 57.125 . . 199 42 42 GLU CB C 30.110 . . 200 42 42 GLU N N 118.927 . . 201 43 43 ASP H H 8.131 . . 202 43 43 ASP C C 176.196 . . 203 43 43 ASP CA C 54.788 . . 204 43 43 ASP CB C 41.340 . . 205 43 43 ASP N N 120.573 . . 206 44 44 PHE H H 8.026 . . 207 44 44 PHE C C 175.804 . . 208 44 44 PHE CA C 58.045 . . 209 44 44 PHE CB C 39.706 . . 210 44 44 PHE N N 120.316 . . 211 45 45 ALA H H 8.153 . . 212 45 45 ALA C C 177.786 . . 213 45 45 ALA CA C 53.096 . . 214 45 45 ALA CB C 19.294 . . 215 45 45 ALA N N 124.324 . . 216 46 46 GLN H H 8.111 . . 217 46 46 GLN C C 176.003 . . 218 46 46 GLN CA C 56.488 . . 219 46 46 GLN CB C 29.402 . . 220 46 46 GLN N N 118.656 . . 221 47 47 TYR H H 7.996 . . 222 47 47 TYR C C 175.891 . . 223 47 47 TYR CA C 58.294 . . 224 47 47 TYR CB C 38.789 . . 225 47 47 TYR N N 120.253 . . 226 48 48 GLN H H 8.158 . . 227 48 48 GLN C C 175.605 . . 228 48 48 GLN CA C 56.504 . . 229 48 48 GLN CB C 29.430 . . 230 48 48 GLN N N 120.896 . . 231 49 49 PHE H H 7.961 . . 232 49 49 PHE C C 175.591 . . 233 49 49 PHE CA C 57.926 . . 234 49 49 PHE CB C 39.503 . . 235 49 49 PHE N N 119.933 . . 236 50 50 LEU H H 8.041 . . 237 50 50 LEU C C 176.898 . . 238 50 50 LEU CA C 55.460 . . 239 50 50 LEU CB C 42.704 . . 240 50 50 LEU N N 122.948 . . 241 51 51 ILE H H 8.038 . . 242 51 51 ILE C C 176.182 . . 243 51 51 ILE CA C 61.279 . . 244 51 51 ILE CB C 38.533 . . 245 51 51 ILE N N 121.804 . . 246 52 52 LEU H H 8.226 . . 247 52 52 LEU C C 177.694 . . 248 52 52 LEU CA C 55.289 . . 249 52 52 LEU CB C 42.596 . . 250 52 52 LEU N N 125.841 . . 251 53 53 GLY H H 8.264 . . 252 53 53 GLY C C 173.722 . . 253 53 53 GLY CA C 45.298 . . 254 53 53 GLY N N 109.533 . . 255 54 54 THR H H 8.030 . . 256 54 54 THR C C 173.014 . . 257 54 54 THR CA C 59.907 . . 258 54 54 THR CB C 69.817 . . 259 54 54 THR N N 115.837 . . 260 55 55 PRO C C 176.975 . . 261 55 55 PRO CA C 63.457 . . 262 56 56 THR H H 8.222 . . 263 56 56 THR C C 174.630 . . 264 56 56 THR CA C 61.941 . . 265 56 56 THR CB C 70.073 . . 266 56 56 THR N N 114.912 . . 267 57 57 LEU H H 8.259 . . 268 57 57 LEU C C 177.724 . . 269 57 57 LEU CA C 55.510 . . 270 57 57 LEU CB C 42.578 . . 271 57 57 LEU N N 124.721 . . 272 58 58 GLY H H 8.482 . . 273 58 58 GLY C C 174.181 . . 274 58 58 GLY CA C 45.387 . . 275 58 58 GLY N N 110.292 . . 276 59 59 GLU H H 8.330 . . 277 59 59 GLU C C 177.077 . . 278 59 59 GLU CA C 56.875 . . 279 59 59 GLU CB C 30.452 . . 280 59 59 GLU N N 120.848 . . 281 60 60 GLY H H 8.474 . . 282 60 60 GLY C C 173.849 . . 283 60 60 GLY CA C 45.387 . . 284 60 60 GLY N N 110.101 . . 285 61 61 GLU H H 8.153 . . 286 61 61 GLU C C 176.253 . . 287 61 61 GLU CA C 56.257 . . 288 61 61 GLU CB C 30.809 . . 289 61 61 GLU N N 120.499 . . 290 62 62 LEU H H 8.292 . . 291 62 62 LEU C C 175.283 . . 292 62 62 LEU CA C 53.205 . . 293 62 62 LEU CB C 41.808 . . 294 62 62 LEU N N 124.170 . . 295 63 63 PRO C C 177.437 . . 296 63 63 PRO CA C 63.533 . . 297 64 64 GLY H H 8.413 . . 298 64 64 GLY C C 174.035 . . 299 64 64 GLY CA C 45.496 . . 300 64 64 GLY N N 109.355 . . 301 65 65 LEU H H 8.105 . . 302 65 65 LEU C C 177.658 . . 303 65 65 LEU CA C 55.280 . . 304 65 65 LEU CB C 42.749 . . 305 65 65 LEU N N 121.929 . . 306 66 66 SER H H 8.362 . . 307 66 66 SER C C 174.788 . . 308 66 66 SER CA C 58.438 . . 309 66 66 SER CB C 64.024 . . 310 66 66 SER N N 116.929 . . 311 67 67 SER H H 8.368 . . 312 67 67 SER C C 174.494 . . 313 67 67 SER CA C 58.499 . . 314 67 67 SER CB C 63.979 . . 315 67 67 SER N N 117.831 . . 316 68 68 ASP H H 8.386 . . 317 68 68 ASP C C 176.083 . . 318 68 68 ASP CA C 54.520 . . 319 68 68 ASP CB C 41.436 . . 320 68 68 ASP N N 122.886 . . 321 69 69 ALA H H 8.097 . . 322 69 69 ALA C C 177.944 . . 323 69 69 ALA CA C 52.900 . . 324 69 69 ALA CB C 19.524 . . 325 69 69 ALA N N 123.636 . . 326 70 70 GLU H H 8.293 . . 327 70 70 GLU C C 176.415 . . 328 70 70 GLU CA C 56.858 . . 329 70 70 GLU CB C 30.195 . . 330 70 70 GLU N N 119.386 . . 331 71 71 ASN H H 8.242 . . 332 71 71 ASN C C 175.266 . . 333 71 71 ASN CA C 53.483 . . 334 71 71 ASN CB C 39.208 . . 335 71 71 ASN N N 118.991 . . 336 72 72 GLU H H 8.350 . . 337 72 72 GLU C C 176.493 . . 338 72 72 GLU CA C 56.753 . . 339 72 72 GLU CB C 30.365 . . 340 72 72 GLU N N 121.213 . . 341 73 73 SER H H 8.305 . . 342 73 73 SER C C 174.519 . . 343 73 73 SER CA C 58.738 . . 344 73 73 SER CB C 63.970 . . 345 73 73 SER N N 116.551 . . 346 74 74 TRP H H 8.083 . . 347 74 74 TRP C C 176.278 . . 348 74 74 TRP CA C 57.662 . . 349 74 74 TRP CB C 29.736 . . 350 74 74 TRP N N 123.121 . . 351 75 75 GLU H H 8.116 . . 352 75 75 GLU C C 176.152 . . 353 75 75 GLU CA C 56.790 . . 354 75 75 GLU CB C 30.414 . . 355 75 75 GLU N N 121.859 . . 356 76 76 GLU H H 8.136 . . 357 76 76 GLU C C 175.887 . . 358 76 76 GLU CA C 56.842 . . 359 76 76 GLU CB C 30.400 . . 360 76 76 GLU N N 121.112 . . 361 77 77 PHE H H 8.110 . . 362 77 77 PHE C C 175.081 . . 363 77 77 PHE CA C 57.510 . . 364 77 77 PHE CB C 39.870 . . 365 77 77 PHE N N 120.784 . . 366 78 78 LEU H H 8.025 . . 367 78 78 LEU C C 174.621 . . 368 78 78 LEU CA C 52.829 . . 369 78 78 LEU CB C 42.120 . . 370 78 78 LEU N N 125.189 . . 371 79 79 PRO C C 176.683 . . 372 79 79 PRO CA C 62.997 . . 373 80 80 LYS H H 8.394 . . 374 80 80 LYS C C 176.640 . . 375 80 80 LYS CA C 56.689 . . 376 80 80 LYS CB C 32.877 . . 377 80 80 LYS N N 122.285 . . 378 81 81 ILE H H 8.133 . . 379 81 81 ILE C C 176.041 . . 380 81 81 ILE CA C 61.191 . . 381 81 81 ILE CB C 38.931 . . 382 81 81 ILE N N 122.283 . . 383 82 82 GLU H H 8.448 . . 384 82 82 GLU C C 176.739 . . 385 82 82 GLU CA C 56.819 . . 386 82 82 GLU CB C 30.519 . . 387 82 82 GLU N N 125.181 . . 388 83 83 GLY H H 8.369 . . 389 83 83 GLY C C 173.961 . . 390 83 83 GLY CA C 45.491 . . 391 83 83 GLY N N 110.198 . . 392 84 84 LEU H H 8.023 . . 393 84 84 LEU C C 176.858 . . 394 84 84 LEU CA C 55.269 . . 395 84 84 LEU CB C 42.753 . . 396 84 84 LEU N N 121.581 . . 397 85 85 ASP H H 8.315 . . 398 85 85 ASP C C 175.923 . . 399 85 85 ASP CA C 54.155 . . 400 85 85 ASP CB C 41.423 . . 401 85 85 ASP N N 120.660 . . 402 86 86 PHE H H 8.182 . . 403 86 86 PHE C C 175.915 . . 404 86 86 PHE CA C 58.017 . . 405 86 86 PHE CB C 39.382 . . 406 86 86 PHE N N 121.189 . . 407 87 87 SER H H 8.344 . . 408 87 87 SER C C 174.949 . . 409 87 87 SER CA C 58.818 . . 410 87 87 SER CB C 64.052 . . 411 87 87 SER N N 117.556 . . 412 88 88 GLY H H 8.078 . . 413 88 88 GLY C C 173.985 . . 414 88 88 GLY CA C 45.564 . . 415 88 88 GLY N N 110.844 . . 416 89 89 LYS H H 8.151 . . 417 89 89 LYS C C 176.850 . . 418 89 89 LYS CA C 56.689 . . 419 89 89 LYS CB C 33.134 . . 420 89 89 LYS N N 121.002 . . 421 90 90 THR H H 8.172 . . 422 90 90 THR C C 174.560 . . 423 90 90 THR CA C 61.992 . . 424 90 90 THR CB C 70.058 . . 425 90 90 THR N N 115.684 . . 426 91 91 VAL H H 8.072 . . 427 91 91 VAL C C 175.603 . . 428 91 91 VAL CA C 62.285 . . 429 91 91 VAL CB C 32.957 . . 430 91 91 VAL N N 122.280 . . 431 92 92 ALA H H 8.231 . . 432 92 92 ALA C C 177.272 . . 433 92 92 ALA CA C 52.453 . . 434 92 92 ALA CB C 19.550 . . 435 92 92 ALA N N 127.366 . . 436 93 93 LEU H H 8.046 . . 437 93 93 LEU C C 176.991 . . 438 93 93 LEU CA C 55.346 . . 439 93 93 LEU CB C 42.565 . . 440 93 93 LEU N N 121.610 . . 441 94 94 PHE H H 8.088 . . 442 94 94 PHE C C 176.203 . . 443 94 94 PHE CA C 57.703 . . 444 94 94 PHE CB C 39.884 . . 445 94 94 PHE N N 119.690 . . 446 95 95 GLY H H 8.348 . . 447 95 95 GLY C C 174.089 . . 448 95 95 GLY CA C 45.565 . . 449 95 95 GLY N N 110.432 . . 450 96 96 LEU H H 8.120 . . 451 96 96 LEU C C 177.972 . . 452 96 96 LEU CA C 55.531 . . 453 96 96 LEU CB C 42.581 . . 454 96 96 LEU N N 121.651 . . 455 97 97 GLY H H 8.425 . . 456 97 97 GLY C C 173.998 . . 457 97 97 GLY CA C 45.496 . . 458 97 97 GLY N N 109.551 . . 459 98 98 ASP H H 8.233 . . 460 98 98 ASP C C 176.249 . . 461 98 98 ASP CA C 54.456 . . 462 98 98 ASP CB C 41.476 . . 463 98 98 ASP N N 120.657 . . 464 99 99 GLN H H 8.302 . . 465 99 99 GLN C C 175.864 . . 466 99 99 GLN CA C 56.025 . . 467 99 99 GLN CB C 29.484 . . 468 99 99 GLN N N 120.036 . . 469 100 100 VAL H H 8.005 . . 470 100 100 VAL C C 176.364 . . 471 100 100 VAL CA C 62.511 . . 472 100 100 VAL CB C 32.850 . . 473 100 100 VAL N N 120.231 . . 474 101 101 GLY H H 8.291 . . 475 101 101 GLY C C 173.227 . . 476 101 101 GLY CA C 45.112 . . 477 101 101 GLY N N 111.987 . . 478 102 102 TYR H H 8.039 . . 479 102 102 TYR C C 174.041 . . 480 102 102 TYR CA C 56.105 . . 481 102 102 TYR CB C 38.525 . . 482 102 102 TYR N N 120.880 . . 483 103 103 PRO C C 176.913 . . 484 103 103 PRO CA C 63.251 . . 485 104 104 GLU H H 8.601 . . 486 104 104 GLU C C 176.490 . . 487 104 104 GLU CA C 57.578 . . 488 104 104 GLU CB C 30.044 . . 489 104 104 GLU N N 121.154 . . 490 105 105 ASN H H 8.374 . . 491 105 105 ASN C C 175.289 . . 492 105 105 ASN CA C 53.542 . . 493 105 105 ASN CB C 38.917 . . 494 105 105 ASN N N 118.179 . . 495 106 106 TYR H H 8.009 . . 496 106 106 TYR C C 175.875 . . 497 106 106 TYR CA C 58.812 . . 498 106 106 TYR CB C 38.847 . . 499 106 106 TYR N N 120.765 . . 500 107 107 LEU H H 8.000 . . 501 107 107 LEU C C 177.495 . . 502 107 107 LEU CA C 55.791 . . 503 107 107 LEU CB C 42.316 . . 504 107 107 LEU N N 122.024 . . 505 108 108 ASP H H 8.127 . . 506 108 108 ASP C C 176.448 . . 507 108 108 ASP CA C 54.788 . . 508 108 108 ASP CB C 41.340 . . 509 108 108 ASP N N 120.540 . . 510 109 109 ALA H H 8.017 . . 511 109 109 ALA C C 178.080 . . 512 109 109 ALA CA C 53.218 . . 513 109 109 ALA CB C 19.399 . . 514 109 109 ALA N N 123.272 . . 515 110 110 LEU H H 8.061 . . 516 110 110 LEU C C 178.084 . . 517 110 110 LEU CA C 55.913 . . 518 110 110 LEU CB C 42.274 . . 519 110 110 LEU N N 120.025 . . 520 111 111 GLY H H 8.190 . . 521 111 111 GLY C C 174.472 . . 522 111 111 GLY CA C 45.809 . . 523 111 111 GLY N N 108.490 . . 524 112 112 GLU H H 8.182 . . 525 112 112 GLU C C 176.788 . . 526 112 112 GLU CA C 56.840 . . 527 112 112 GLU CB C 30.362 . . 528 112 112 GLU N N 120.704 . . 529 113 113 LEU H H 8.145 . . 530 113 113 LEU C C 177.222 . . 531 113 113 LEU CA C 55.908 . . 532 113 113 LEU CB C 42.483 . . 533 113 113 LEU N N 122.124 . . 534 114 114 TYR H H 8.054 . . 535 114 114 TYR C C 176.056 . . 536 114 114 TYR CA C 58.359 . . 537 114 114 TYR CB C 38.966 . . 538 114 114 TYR N N 119.841 . . 539 115 115 SER H H 8.051 . . 540 115 115 SER C C 174.264 . . 541 115 115 SER CA C 58.636 . . 542 115 115 SER CB C 63.755 . . 543 115 115 SER N N 116.470 . . 544 116 116 PHE H H 8.043 . . 545 116 116 PHE C C 175.674 . . 546 116 116 PHE CA C 58.475 . . 547 116 116 PHE CB C 39.710 . . 548 116 116 PHE N N 122.138 . . 549 117 117 PHE H H 8.059 . . 550 117 117 PHE C C 175.796 . . 551 117 117 PHE CA C 58.174 . . 552 117 117 PHE CB C 39.710 . . 553 117 117 PHE N N 120.225 . . 554 118 118 LYS H H 8.102 . . 555 118 118 LYS C C 176.104 . . 556 118 118 LYS CA C 56.810 . . 557 118 118 LYS CB C 33.146 . . 558 118 118 LYS N N 122.261 . . 559 119 119 ASP H H 8.219 . . 560 119 119 ASP C C 176.252 . . 561 119 119 ASP CA C 54.429 . . 562 119 119 ASP CB C 41.469 . . 563 119 119 ASP N N 121.153 . . 564 120 120 ARG H H 8.221 . . 565 120 120 ARG C C 176.793 . . 566 120 120 ARG CA C 56.662 . . 567 120 120 ARG CB C 30.777 . . 568 120 120 ARG N N 121.394 . . 569 121 121 GLY H H 8.408 . . 570 121 121 GLY C C 173.772 . . 571 121 121 GLY CA C 45.496 . . 572 121 121 GLY N N 109.612 . . 573 122 122 ALA H H 8.045 . . 574 122 122 ALA C C 177.611 . . 575 122 122 ALA CA C 52.560 . . 576 122 122 ALA CB C 19.818 . . 577 122 122 ALA N N 123.772 . . 578 123 123 LYS H H 8.258 . . 579 123 123 LYS C C 176.404 . . 580 123 123 LYS CA C 56.545 . . 581 123 123 LYS CB C 33.151 . . 582 123 123 LYS N N 121.001 . . 583 124 124 ILE H H 8.142 . . 584 124 124 ILE C C 176.171 . . 585 124 124 ILE CA C 61.221 . . 586 124 124 ILE CB C 38.877 . . 587 124 124 ILE N N 122.933 . . 588 125 125 VAL H H 8.143 . . 589 125 125 VAL C C 176.355 . . 590 125 125 VAL CA C 62.457 . . 591 125 125 VAL CB C 32.995 . . 592 125 125 VAL N N 124.551 . . 593 126 126 GLY H H 8.288 . . 594 126 126 GLY C C 173.891 . . 595 126 126 GLY CA C 45.314 . . 596 126 126 GLY N N 112.715 . . 597 127 127 SER H H 8.101 . . 598 127 127 SER C C 174.304 . . 599 127 127 SER CA C 58.321 . . 600 127 127 SER CB C 63.969 . . 601 127 127 SER N N 115.781 . . 602 128 128 TRP H H 8.142 . . 603 128 128 TRP C C 176.171 . . 604 128 128 TRP CA C 57.593 . . 605 128 128 TRP CB C 29.930 . . 606 128 128 TRP N N 122.933 . . 607 129 129 SER H H 8.087 . . 608 129 129 SER C C 174.776 . . 609 129 129 SER CA C 58.315 . . 610 129 129 SER CB C 64.084 . . 611 129 129 SER N N 116.897 . . 612 130 130 THR H H 8.126 . . 613 130 130 THR C C 174.465 . . 614 130 130 THR CA C 62.008 . . 615 130 130 THR CB C 69.788 . . 616 130 130 THR N N 115.163 . . 617 131 131 ASP H H 8.284 . . 618 131 131 ASP C C 176.472 . . 619 131 131 ASP CA C 54.665 . . 620 131 131 ASP CB C 41.598 . . 621 131 131 ASP N N 122.054 . . 622 132 132 GLY H H 8.205 . . 623 132 132 GLY C C 173.879 . . 624 132 132 GLY CA C 45.519 . . 625 132 132 GLY N N 108.935 . . 626 133 133 TYR H H 8.040 . . 627 133 133 TYR C C 175.933 . . 628 133 133 TYR CA C 58.242 . . 629 133 133 TYR CB C 39.239 . . 630 133 133 TYR N N 120.381 . . 631 134 134 GLU H H 8.391 . . 632 134 134 GLU C C 175.942 . . 633 134 134 GLU CA C 56.689 . . 634 134 134 GLU CB C 30.345 . . 635 134 134 GLU N N 122.494 . . 636 135 135 PHE H H 8.018 . . 637 135 135 PHE C C 175.766 . . 638 135 135 PHE CA C 58.045 . . 639 135 135 PHE CB C 39.706 . . 640 135 135 PHE N N 120.472 . . 641 136 136 GLU H H 8.326 . . 642 136 136 GLU C C 176.253 . . 643 136 136 GLU CA C 56.639 . . 644 136 136 GLU CB C 30.574 . . 645 136 136 GLU N N 122.288 . . 646 137 137 SER H H 8.286 . . 647 137 137 SER C C 174.765 . . 648 137 137 SER CA C 58.362 . . 649 137 137 SER CB C 64.066 . . 650 137 137 SER N N 116.875 . . 651 138 138 SER H H 8.392 . . 652 138 138 SER C C 174.569 . . 653 138 138 SER CA C 58.780 . . 654 138 138 SER CB C 64.009 . . 655 138 138 SER N N 118.245 . . 656 139 139 GLU H H 8.366 . . 657 139 139 GLU C C 176.076 . . 658 139 139 GLU CA C 56.691 . . 659 139 139 GLU CB C 30.424 . . 660 139 139 GLU N N 122.463 . . 661 140 140 ALA H H 8.174 . . 662 140 140 ALA C C 177.454 . . 663 140 140 ALA CA C 52.648 . . 664 140 140 ALA CB C 19.570 . . 665 140 140 ALA N N 124.504 . . 666 141 141 VAL H H 7.981 . . 667 141 141 VAL C C 176.196 . . 668 141 141 VAL CA C 62.388 . . 669 141 141 VAL CB C 32.867 . . 670 141 141 VAL N N 119.670 . . 671 142 142 VAL H H 8.148 . . 672 142 142 VAL C C 175.717 . . 673 142 142 VAL CA C 62.304 . . 674 142 142 VAL CB C 32.997 . . 675 142 142 VAL N N 123.550 . . 676 143 143 ASP H H 8.401 . . 677 143 143 ASP C C 176.486 . . 678 143 143 ASP CA C 54.455 . . 679 143 143 ASP CB C 41.545 . . 680 143 143 ASP N N 124.381 . . 681 144 144 GLY H H 8.246 . . 682 144 144 GLY C C 173.996 . . 683 144 144 GLY CA C 45.719 . . 684 144 144 GLY N N 108.940 . . 685 145 145 LYS H H 8.082 . . 686 145 145 LYS C C 176.247 . . 687 145 145 LYS CA C 56.689 . . 688 145 145 LYS CB C 33.222 . . 689 145 145 LYS N N 120.956 . . 690 146 146 PHE H H 8.297 . . 691 146 146 PHE C C 175.766 . . 692 146 146 PHE CA C 57.761 . . 693 146 146 PHE CB C 39.722 . . 694 146 146 PHE N N 121.177 . . 695 147 147 VAL H H 7.947 . . 696 147 147 VAL C C 176.170 . . 697 147 147 VAL CA C 62.478 . . 698 147 147 VAL CB C 33.080 . . 699 147 147 VAL N N 121.808 . . 700 148 148 GLY H H 8.000 . . 701 148 148 GLY C C 173.767 . . 702 148 148 GLY CA C 45.482 . . 703 148 148 GLY N N 111.846 . . 704 149 149 LEU H H 8.052 . . 705 149 149 LEU C C 177.093 . . 706 149 149 LEU CA C 55.480 . . 707 149 149 LEU CB C 42.635 . . 708 149 149 LEU N N 121.989 . . 709 150 150 ALA H H 8.316 . . 710 150 150 ALA C C 177.532 . . 711 150 150 ALA CA C 52.631 . . 712 150 150 ALA CB C 19.249 . . 713 150 150 ALA N N 124.935 . . 714 151 151 LEU H H 8.091 . . 715 151 151 LEU C C 177.056 . . 716 151 151 LEU CA C 55.471 . . 717 151 151 LEU CB C 42.610 . . 718 151 151 LEU N N 121.237 . . 719 152 152 ASP H H 8.332 . . 720 152 152 ASP C C 176.236 . . 721 152 152 ASP CA C 54.237 . . 722 152 152 ASP CB C 41.090 . . 723 152 152 ASP N N 120.798 . . 724 153 153 LEU H H 8.048 . . 725 153 153 LEU C C 177.330 . . 726 153 153 LEU CA C 55.480 . . 727 153 153 LEU CB C 42.635 . . 728 153 153 LEU N N 122.053 . . 729 154 154 ASP H H 8.325 . . 730 154 154 ASP C C 176.121 . . 731 154 154 ASP CA C 54.658 . . 732 154 154 ASP CB C 41.401 . . 733 154 154 ASP N N 120.292 . . 734 155 155 ASN H H 8.251 . . 735 155 155 ASN C C 175.481 . . 736 155 155 ASN CA C 53.483 . . 737 155 155 ASN CB C 39.208 . . 738 155 155 ASN N N 118.991 . . 739 156 156 GLN H H 8.384 . . 740 156 156 GLN C C 176.202 . . 741 156 156 GLN CA C 56.283 . . 742 156 156 GLN CB C 29.531 . . 743 156 156 GLN N N 120.351 . . 744 157 157 SER H H 8.322 . . 745 157 157 SER C C 175.071 . . 746 157 157 SER CA C 58.738 . . 747 157 157 SER CB C 63.970 . . 748 157 157 SER N N 116.551 . . 749 158 158 GLY H H 8.428 . . 750 158 158 GLY C C 174.118 . . 751 158 158 GLY CA C 45.519 . . 752 158 158 GLY N N 111.154 . . 753 159 159 LYS H H 8.177 . . 754 159 159 LYS C C 176.992 . . 755 159 159 LYS CA C 56.590 . . 756 159 159 LYS CB C 33.306 . . 757 159 159 LYS N N 121.137 . . 758 160 160 THR H H 8.180 . . 759 160 160 THR C C 174.263 . . 760 160 160 THR CA C 61.972 . . 761 160 160 THR CB C 69.996 . . 762 160 160 THR N N 115.144 . . 763 161 161 ASP H H 8.389 . . 764 161 161 ASP C C 176.250 . . 765 161 161 ASP CA C 54.520 . . 766 161 161 ASP CB C 41.436 . . 767 161 161 ASP N N 122.977 . . 768 162 162 GLU H H 8.386 . . 769 162 162 GLU C C 176.681 . . 770 162 162 GLU CA C 57.098 . . 771 162 162 GLU CB C 30.345 . . 772 162 162 GLU N N 121.785 . . 773 163 163 ARG H H 8.341 . . 774 163 163 ARG C C 176.746 . . 775 163 163 ARG CA C 56.782 . . 776 163 163 ARG CB C 30.756 . . 777 163 163 ARG N N 121.930 . . 778 164 164 VAL H H 8.004 . . 779 164 164 VAL C C 176.053 . . 780 164 164 VAL CA C 62.811 . . 781 164 164 VAL CB C 32.783 . . 782 164 164 VAL N N 120.964 . . 783 165 165 ALA H H 8.202 . . 784 165 165 ALA C C 178.080 . . 785 165 165 ALA CA C 53.014 . . 786 165 165 ALA CB C 19.063 . . 787 165 165 ALA N N 126.652 . . 788 166 166 ALA H H 8.178 . . 789 166 166 ALA C C 178.207 . . 790 166 166 ALA CA C 53.576 . . 791 166 166 ALA CB C 19.105 . . 792 166 166 ALA N N 122.995 . . 793 167 167 TRP H H 7.827 . . 794 167 167 TRP C C 176.645 . . 795 167 167 TRP CA C 58.070 . . 796 167 167 TRP CB C 29.185 . . 797 167 167 TRP N N 118.667 . . 798 168 168 LEU H H 7.747 . . 799 168 168 LEU C C 177.184 . . 800 168 168 LEU CA C 55.538 . . 801 168 168 LEU CB C 42.502 . . 802 168 168 LEU N N 122.386 . . 803 169 169 ALA H H 7.856 . . 804 169 169 ALA C C 177.815 . . 805 169 169 ALA CA C 53.002 . . 806 169 169 ALA CB C 19.357 . . 807 169 169 ALA N N 122.999 . . 808 170 170 GLN H H 8.043 . . 809 170 170 GLN C C 175.944 . . 810 170 170 GLN CA C 56.100 . . 811 170 170 GLN CB C 29.556 . . 812 170 170 GLN N N 118.374 . . 813 171 171 ILE H H 7.878 . . 814 171 171 ILE C C 175.511 . . 815 171 171 ILE CA C 61.049 . . 816 171 171 ILE CB C 38.938 . . 817 171 171 ILE N N 120.445 . . 818 172 172 ALA H H 8.216 . . 819 172 172 ALA C C 175.358 . . 820 172 172 ALA CA C 50.833 . . 821 172 172 ALA CB C 18.439 . . 822 172 172 ALA N N 128.570 . . 823 173 173 PRO C C 176.971 . . 824 173 173 PRO CA C 63.347 . . 825 173 173 PRO CB C 32.237 . . 826 174 174 GLU H H 8.481 . . 827 174 174 GLU C C 176.253 . . 828 174 174 GLU CA C 57.040 . . 829 174 174 GLU CB C 30.123 . . 830 174 174 GLU N N 120.537 . . 831 175 175 PHE H H 8.093 . . 832 175 175 PHE C C 176.283 . . 833 175 175 PHE CA C 57.920 . . 834 175 175 PHE CB C 39.785 . . 835 175 175 PHE N N 120.150 . . 836 176 176 GLY H H 8.288 . . 837 176 176 GLY C C 173.875 . . 838 176 176 GLY CA C 45.575 . . 839 176 176 GLY N N 110.265 . . 840 177 177 LEU H H 8.021 . . 841 177 177 LEU C C 177.298 . . 842 177 177 LEU CA C 55.269 . . 843 177 177 LEU CB C 42.753 . . 844 177 177 LEU N N 121.604 . . 845 178 178 SER H H 8.304 . . 846 178 178 SER C C 173.712 . . 847 178 178 SER CA C 58.193 . . 848 178 178 SER CB C 63.939 . . 849 178 178 SER N N 117.351 . . 850 179 179 LEU H H 7.933 . . 851 179 179 LEU C C 174.633 . . 852 179 179 LEU CA C 57.098 . . 853 179 179 LEU CB C 43.219 . . 854 179 179 LEU N N 129.891 . . stop_ save_