data_25330 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone Assignment of the heterodimer HUAB from E. coli at 293K ; _BMRB_accession_number 25330 _BMRB_flat_file_name bmr25330.str _Entry_type original _Submission_date 2014-11-12 _Accession_date 2014-11-12 _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 'Le Meur' Remy . . 2 Castaing Bertrand . . 3 Landon Celine . . 4 Loth Karine . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 168 "13C chemical shifts" 501 "15N chemical shifts" 168 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-03-10 update BMRB 'update entry citation' 2015-05-19 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25328 HUA2 25329 HUB2 stop_ _Original_release_date 2015-05-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone assignment of the three dimers of HU from Escherichia coli at 293 K: EcHUalpha2, EcHUbeta2 2 and EcHUalphabeta2 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25924603 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Le Meur' Remy . . 2 Castaing Bertrand . . 3 Landon Celine . . 4 Loth Karine . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 9 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 359 _Page_last 363 _Year 2015 _Details . loop_ _Keyword E.coli HU Histone-like heterodimer stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name HUAB _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HUAB_1 $entity_1 HUAB_2 $entity_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HUAB-A _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; MNKTQLIDVIAEKAELSKTQ AKAALESTLAAITESLKEGD AVQLVGFGTFKVNHRAERTG RNPQTGKEIKIAAANVPAFV SGKALKDAVK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 LYS 4 THR 5 GLN 6 LEU 7 ILE 8 ASP 9 VAL 10 ILE 11 ALA 12 GLU 13 LYS 14 ALA 15 GLU 16 LEU 17 SER 18 LYS 19 THR 20 GLN 21 ALA 22 LYS 23 ALA 24 ALA 25 LEU 26 GLU 27 SER 28 THR 29 LEU 30 ALA 31 ALA 32 ILE 33 THR 34 GLU 35 SER 36 LEU 37 LYS 38 GLU 39 GLY 40 ASP 41 ALA 42 VAL 43 GLN 44 LEU 45 VAL 46 GLY 47 PHE 48 GLY 49 THR 50 PHE 51 LYS 52 VAL 53 ASN 54 HIS 55 ARG 56 ALA 57 GLU 58 ARG 59 THR 60 GLY 61 ARG 62 ASN 63 PRO 64 GLN 65 THR 66 GLY 67 LYS 68 GLU 69 ILE 70 LYS 71 ILE 72 ALA 73 ALA 74 ALA 75 ASN 76 VAL 77 PRO 78 ALA 79 PHE 80 VAL 81 SER 82 GLY 83 LYS 84 ALA 85 LEU 86 LYS 87 ASP 88 ALA 89 VAL 90 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HUAB-B _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 90 _Mol_residue_sequence ; MNKSQLIDKIAAGADISKAA AGRALDAIIASVTESLKEGD DVALVGFGTFAVKERAARTG RNPQTGKEITIAAAKVPSFR AGKALKDAVN ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 LYS 4 SER 5 GLN 6 LEU 7 ILE 8 ASP 9 LYS 10 ILE 11 ALA 12 ALA 13 GLY 14 ALA 15 ASP 16 ILE 17 SER 18 LYS 19 ALA 20 ALA 21 ALA 22 GLY 23 ARG 24 ALA 25 LEU 26 ASP 27 ALA 28 ILE 29 ILE 30 ALA 31 SER 32 VAL 33 THR 34 GLU 35 SER 36 LEU 37 LYS 38 GLU 39 GLY 40 ASP 41 ASP 42 VAL 43 ALA 44 LEU 45 VAL 46 GLY 47 PHE 48 GLY 49 THR 50 PHE 51 ALA 52 VAL 53 LYS 54 GLU 55 ARG 56 ALA 57 ALA 58 ARG 59 THR 60 GLY 61 ARG 62 ASN 63 PRO 64 GLN 65 THR 66 GLY 67 LYS 68 GLU 69 ILE 70 THR 71 ILE 72 ALA 73 ALA 74 ALA 75 LYS 76 VAL 77 PRO 78 SER 79 PHE 80 ARG 81 ALA 82 GLY 83 LYS 84 ALA 85 LEU 86 LYS 87 ASP 88 ALA 89 VAL 90 ASN 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 $entity_1 E.coli 562 Bacteria . Escherichia coli $entity_2 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 $entity_1 'recombinant technology' . Escherichia coli . pJES-hupA $entity_2 'recombinant technology' . Escherichia coli . pJES-hupB 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 $entity_1 0.5 mM '[U-99% 13C; U-99% 15N]' $entity_2 0.75 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' DTT 0.05 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.75 mM 'natural abundance' $entity_2 0.5 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 200 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' DTT 0.05 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CcpNMR _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . 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_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.22 . M pH 7 . pH pressure 1 . atm temperature 293 . 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 HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CO)CA' '3D HN(CA)CO' 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 HUAB_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET C C 172.050 0.2 1 2 1 1 MET CB C 35.636 0.2 1 3 2 2 ASN H H 8.528 0.01 1 4 2 2 ASN C C 175.413 0.2 1 5 2 2 ASN CA C 50.344 0.2 1 6 2 2 ASN CB C 39.840 0.2 1 7 2 2 ASN N N 125.013 0.2 1 8 3 3 LYS H H 8.498 0.01 1 9 3 3 LYS C C 175.631 0.2 1 10 3 3 LYS CA C 60.705 0.2 1 11 3 3 LYS CB C 32.847 0.2 1 12 3 3 LYS N N 117.354 0.2 1 13 4 4 THR H H 7.861 0.01 1 14 4 4 THR C C 176.765 0.2 1 15 4 4 THR CA C 66.456 0.2 1 16 4 4 THR CB C 67.995 0.2 1 17 4 4 THR N N 113.585 0.2 1 18 5 5 GLN H H 8.304 0.01 1 19 5 5 GLN C C 179.013 0.2 1 20 5 5 GLN CA C 58.106 0.2 1 21 5 5 GLN N N 120.287 0.2 1 22 6 6 LEU H H 8.317 0.01 1 23 6 6 LEU C C 178.316 0.2 1 24 6 6 LEU CA C 57.573 0.2 1 25 6 6 LEU CB C 44.324 0.2 1 26 6 6 LEU N N 121.463 0.2 1 27 7 7 ILE H H 8.330 0.01 1 28 7 7 ILE C C 176.911 0.2 1 29 7 7 ILE CA C 66.293 0.2 1 30 7 7 ILE CB C 37.419 0.2 1 31 7 7 ILE N N 119.691 0.2 1 32 8 8 ASP H H 7.214 0.01 1 33 8 8 ASP C C 179.552 0.2 1 34 8 8 ASP CA C 57.247 0.2 1 35 8 8 ASP CB C 39.668 0.2 1 36 8 8 ASP N N 118.198 0.2 1 37 9 9 VAL H H 7.751 0.01 1 38 9 9 VAL C C 178.200 0.2 1 39 9 9 VAL CA C 65.798 0.2 1 40 9 9 VAL CB C 33.031 0.2 1 41 9 9 VAL N N 121.119 0.2 1 42 10 10 ILE H H 8.664 0.01 1 43 10 10 ILE C C 177.489 0.2 1 44 10 10 ILE CA C 65.459 0.2 1 45 10 10 ILE N N 119.521 0.2 1 46 11 11 ALA H H 8.369 0.01 1 47 11 11 ALA C C 179.465 0.2 1 48 11 11 ALA CA C 55.484 0.2 1 49 11 11 ALA CB C 17.201 0.2 1 50 11 11 ALA N N 120.434 0.2 1 51 12 12 GLU H H 7.415 0.01 1 52 12 12 GLU C C 179.761 0.2 1 53 12 12 GLU CA C 58.470 0.2 1 54 12 12 GLU CB C 29.671 0.2 1 55 12 12 GLU N N 115.056 0.2 1 56 13 13 LYS H H 8.808 0.01 1 57 13 13 LYS C C 178.367 0.2 1 58 13 13 LYS CA C 58.343 0.2 1 59 13 13 LYS N N 117.146 0.2 1 60 14 14 ALA H H 8.687 0.01 1 61 14 14 ALA C C 174.951 0.2 1 62 14 14 ALA CA C 50.819 0.2 1 63 14 14 ALA CB C 17.744 0.2 1 64 14 14 ALA N N 116.883 0.2 1 65 15 15 GLU H H 7.323 0.01 1 66 15 15 GLU C C 174.614 0.2 1 67 15 15 GLU CA C 56.638 0.2 1 68 15 15 GLU CB C 26.498 0.2 1 69 15 15 GLU N N 116.033 0.2 1 70 16 16 LEU H H 8.269 0.01 1 71 16 16 LEU C C 176.816 0.2 1 72 16 16 LEU CA C 51.637 0.2 1 73 16 16 LEU CB C 46.633 0.2 1 74 16 16 LEU N N 118.303 0.2 1 75 17 17 SER H H 8.591 0.01 1 76 17 17 SER CA C 56.586 0.2 1 77 17 17 SER CB C 64.355 0.2 1 78 17 17 SER N N 114.526 0.2 1 79 18 18 LYS H H 9.072 0.01 1 80 18 18 LYS C C 179.552 0.2 1 81 18 18 LYS CA C 60.463 0.2 1 82 18 18 LYS N N 120.602 0.2 1 83 19 19 THR H H 8.078 0.01 1 84 19 19 THR C C 177.391 0.2 1 85 19 19 THR CA C 66.112 0.2 1 86 19 19 THR CB C 68.455 0.2 1 87 19 19 THR N N 113.591 0.2 1 88 20 20 GLN H H 7.794 0.01 1 89 20 20 GLN C C 178.153 0.2 1 90 20 20 GLN CA C 57.933 0.2 1 91 20 20 GLN CB C 29.808 0.2 1 92 20 20 GLN N N 122.433 0.2 1 93 21 21 ALA H H 8.926 0.01 1 94 21 21 ALA C C 178.660 0.2 1 95 21 21 ALA CA C 54.735 0.2 1 96 21 21 ALA CB C 19.217 0.2 1 97 21 21 ALA N N 121.734 0.2 1 98 22 22 LYS H H 8.175 0.01 1 99 22 22 LYS C C 177.821 0.2 1 100 22 22 LYS CA C 59.530 0.2 1 101 22 22 LYS CB C 32.210 0.2 1 102 22 22 LYS N N 118.421 0.2 1 103 23 23 ALA H H 7.792 0.01 1 104 23 23 ALA C C 181.274 0.2 1 105 23 23 ALA CA C 54.301 0.2 1 106 23 23 ALA CB C 17.808 0.2 1 107 23 23 ALA N N 120.209 0.2 1 108 24 24 ALA H H 9.096 0.01 1 109 24 24 ALA C C 180.362 0.2 1 110 24 24 ALA CA C 54.666 0.2 1 111 24 24 ALA CB C 16.647 0.2 1 112 24 24 ALA N N 122.524 0.2 1 113 25 25 LEU H H 8.431 0.01 1 114 25 25 LEU C C 178.238 0.2 1 115 25 25 LEU CA C 57.979 0.2 1 116 25 25 LEU CB C 40.503 0.2 1 117 25 25 LEU N N 120.698 0.2 1 118 26 26 GLU H H 8.867 0.01 1 119 26 26 GLU C C 180.675 0.2 1 120 26 26 GLU CA C 59.160 0.2 1 121 26 26 GLU N N 117.496 0.2 1 122 27 27 SER H H 8.713 0.01 1 123 27 27 SER C C 176.498 0.2 1 124 27 27 SER CA C 62.186 0.2 1 125 27 27 SER CB C 62.847 0.2 1 126 27 27 SER N N 114.775 0.2 1 127 28 28 THR H H 7.763 0.01 1 128 28 28 THR C C 175.342 0.2 1 129 28 28 THR CA C 67.482 0.2 1 130 28 28 THR N N 120.776 0.2 1 131 29 29 LEU H H 7.679 0.01 1 132 29 29 LEU C C 180.425 0.2 1 133 29 29 LEU CA C 57.002 0.2 1 134 29 29 LEU CB C 38.484 0.2 1 135 29 29 LEU N N 117.876 0.2 1 136 30 30 ALA H H 8.430 0.01 1 137 30 30 ALA C C 179.681 0.2 1 138 30 30 ALA CA C 54.677 0.2 1 139 30 30 ALA CB C 17.870 0.2 1 140 30 30 ALA N N 122.715 0.2 1 141 31 31 ALA H H 7.991 0.01 1 142 31 31 ALA C C 180.863 0.2 1 143 31 31 ALA CA C 54.277 0.2 1 144 31 31 ALA CB C 17.794 0.2 1 145 31 31 ALA N N 120.401 0.2 1 146 32 32 ILE H H 7.939 0.01 1 147 32 32 ILE C C 176.774 0.2 1 148 32 32 ILE CA C 65.481 0.2 1 149 32 32 ILE CB C 37.921 0.2 1 150 32 32 ILE N N 118.173 0.2 1 151 33 33 THR H H 7.926 0.01 1 152 33 33 THR C C 175.111 0.2 1 153 33 33 THR CA C 67.990 0.2 1 154 33 33 THR N N 115.633 0.2 1 155 34 34 GLU H H 8.331 0.01 1 156 34 34 GLU C C 178.430 0.2 1 157 34 34 GLU CA C 58.773 0.2 1 158 34 34 GLU CB C 29.085 0.2 1 159 34 34 GLU N N 119.176 0.2 1 160 35 35 SER H H 7.728 0.01 1 161 35 35 SER C C 177.490 0.2 1 162 35 35 SER CA C 62.251 0.2 1 163 35 35 SER CB C 63.460 0.2 1 164 35 35 SER N N 114.246 0.2 1 165 36 36 LEU H H 8.109 0.01 1 166 36 36 LEU C C 180.995 0.2 1 167 36 36 LEU CA C 57.167 0.2 1 168 36 36 LEU CB C 39.206 0.2 1 169 36 36 LEU N N 118.748 0.2 1 170 37 37 LYS H H 8.539 0.01 1 171 37 37 LYS C C 177.940 0.2 1 172 37 37 LYS CA C 59.644 0.2 1 173 37 37 LYS CB C 31.669 0.2 1 174 37 37 LYS N N 122.031 0.2 1 175 38 38 GLU H H 7.483 0.01 1 176 38 38 GLU C C 176.770 0.2 1 177 38 38 GLU CA C 55.518 0.2 1 178 38 38 GLU CB C 29.199 0.2 1 179 38 38 GLU N N 115.283 0.2 1 180 39 39 GLY H H 7.985 0.01 1 181 39 39 GLY C C 173.770 0.2 1 182 39 39 GLY CA C 45.082 0.2 1 183 39 39 GLY N N 107.976 0.2 1 184 40 40 ASP H H 8.204 0.01 1 185 40 40 ASP C C 174.258 0.2 1 186 40 40 ASP CA C 52.351 0.2 1 187 40 40 ASP CB C 41.933 0.2 1 188 40 40 ASP N N 122.135 0.2 1 189 41 41 ALA H H 8.182 0.01 1 190 41 41 ALA C C 177.095 0.2 1 191 41 41 ALA CA C 51.173 0.2 1 192 41 41 ALA CB C 19.689 0.2 1 193 41 41 ALA N N 124.417 0.2 1 194 42 42 VAL H H 9.137 0.01 1 195 42 42 VAL C C 174.713 0.2 1 196 42 42 VAL CA C 60.670 0.2 1 197 42 42 VAL N N 120.736 0.2 1 198 43 43 GLN H H 8.708 0.01 1 199 43 43 GLN C C 174.385 0.2 1 200 43 43 GLN CA C 54.823 0.2 1 201 43 43 GLN CB C 29.492 0.2 1 202 43 43 GLN N N 127.313 0.2 1 203 44 44 LEU H H 8.665 0.01 1 204 44 44 LEU C C 175.793 0.2 1 205 44 44 LEU CA C 52.098 0.2 1 206 44 44 LEU N N 126.161 0.2 1 207 45 45 VAL H H 8.427 0.01 1 208 45 45 VAL C C 176.268 0.2 1 209 45 45 VAL CA C 64.365 0.2 1 210 45 45 VAL N N 125.956 0.2 1 211 46 46 GLY C C 173.174 0.2 1 212 46 46 GLY CA C 44.897 0.2 1 213 47 47 PHE H H 8.339 0.01 1 214 47 47 PHE C C 174.001 0.2 1 215 47 47 PHE CA C 58.544 0.2 1 216 47 47 PHE N N 120.594 0.2 1 217 48 48 GLY H H 8.539 0.01 1 218 48 48 GLY C C 170.891 0.2 1 219 48 48 GLY CA C 45.614 0.2 1 220 48 48 GLY N N 106.734 0.2 1 221 49 49 THR H H 7.757 0.01 1 222 49 49 THR C C 173.951 0.2 1 223 49 49 THR CA C 59.841 0.2 1 224 49 49 THR CB C 71.851 0.2 1 225 49 49 THR N N 114.795 0.2 1 226 50 50 PHE H H 9.328 0.01 1 227 50 50 PHE C C 174.054 0.2 1 228 50 50 PHE CA C 56.289 0.2 1 229 50 50 PHE CB C 40.964 0.2 1 230 50 50 PHE N N 124.455 0.2 1 231 51 51 LYS H H 9.301 0.01 1 232 51 51 LYS C C 173.109 0.2 1 233 51 51 LYS CA C 54.342 0.2 1 234 51 51 LYS N N 119.716 0.2 1 235 52 52 VAL H H 8.600 0.01 1 236 52 52 VAL C C 175.363 0.2 1 237 52 52 VAL CA C 60.903 0.2 1 238 52 52 VAL CB C 33.467 0.2 1 239 52 52 VAL N N 117.430 0.2 1 240 53 53 ASN H H 8.727 0.01 1 241 53 53 ASN CA C 50.722 0.2 1 242 53 53 ASN N N 124.845 0.2 1 243 54 54 HIS C C 174.393 0.2 1 244 54 54 HIS CA C 55.760 0.2 1 245 54 54 HIS CB C 29.897 0.2 1 246 55 55 ARG H H 8.789 0.01 1 247 55 55 ARG C C 174.201 0.2 1 248 55 55 ARG CA C 54.249 0.2 1 249 55 55 ARG CB C 30.995 0.2 1 250 55 55 ARG N N 129.253 0.2 1 251 56 56 ALA H H 8.204 0.01 1 252 56 56 ALA C C 177.665 0.2 1 253 56 56 ALA CA C 51.280 0.2 1 254 56 56 ALA CB C 19.153 0.2 1 255 56 56 ALA N N 125.993 0.2 1 256 57 57 GLU H H 8.704 0.01 1 257 57 57 GLU C C 175.612 0.2 1 258 57 57 GLU CA C 56.330 0.2 1 259 57 57 GLU CB C 30.081 0.2 1 260 57 57 GLU N N 121.010 0.2 1 261 58 58 ARG H H 8.542 0.01 1 262 58 58 ARG C C 174.603 0.2 1 263 58 58 ARG CA C 54.359 0.2 1 264 58 58 ARG CB C 32.793 0.2 1 265 58 58 ARG N N 122.405 0.2 1 266 59 59 THR H H 8.470 0.01 1 267 59 59 THR C C 174.612 0.2 1 268 59 59 THR CA C 60.911 0.2 1 269 59 59 THR CB C 69.920 0.2 1 270 59 59 THR N N 115.374 0.2 1 271 60 60 GLY H H 8.758 0.01 1 272 60 60 GLY C C 172.601 0.2 1 273 60 60 GLY CA C 43.877 0.2 1 274 60 60 GLY N N 112.593 0.2 1 275 61 61 ARG H H 8.513 0.01 1 276 61 61 ARG C C 175.641 0.2 1 277 61 61 ARG CA C 54.090 0.2 1 278 61 61 ARG CB C 32.225 0.2 1 279 61 61 ARG N N 120.043 0.2 1 280 62 62 ASN H H 8.893 0.01 1 281 62 62 ASN C C 175.139 0.2 1 282 62 62 ASN CA C 50.479 0.2 1 283 62 62 ASN CB C 38.792 0.2 1 284 62 62 ASN N N 125.574 0.2 1 285 63 63 PRO C C 177.661 0.2 1 286 63 63 PRO CA C 64.006 0.2 1 287 63 63 PRO CB C 31.500 0.2 1 288 64 64 GLN H H 8.247 0.01 1 289 64 64 GLN C C 177.584 0.2 1 290 64 64 GLN CA C 57.511 0.2 1 291 64 64 GLN CB C 28.893 0.2 1 292 64 64 GLN N N 115.955 0.2 1 293 65 65 THR H H 7.641 0.01 1 294 65 65 THR C C 176.392 0.2 1 295 65 65 THR CA C 60.872 0.2 1 296 65 65 THR CB C 70.372 0.2 1 297 65 65 THR N N 106.289 0.2 1 298 66 66 GLY H H 8.509 0.01 1 299 66 66 GLY C C 173.727 0.2 1 300 66 66 GLY CA C 45.117 0.2 1 301 66 66 GLY N N 111.018 0.2 1 302 67 67 LYS H H 7.599 0.01 1 303 67 67 LYS C C 176.084 0.2 1 304 67 67 LYS CA C 55.301 0.2 1 305 67 67 LYS CB C 32.898 0.2 1 306 67 67 LYS N N 119.437 0.2 1 307 68 68 GLU H H 8.660 0.01 1 308 68 68 GLU C C 176.296 0.2 1 309 68 68 GLU CA C 56.550 0.2 1 310 68 68 GLU CB C 30.209 0.2 1 311 68 68 GLU N N 122.061 0.2 1 312 69 69 ILE H H 8.382 0.01 1 313 69 69 ILE C C 174.437 0.2 1 314 69 69 ILE CA C 59.117 0.2 1 315 69 69 ILE CB C 41.144 0.2 1 316 69 69 ILE N N 121.289 0.2 1 317 70 70 LYS H H 8.485 0.01 1 318 70 70 LYS C C 175.837 0.2 1 319 70 70 LYS CA C 55.097 0.2 1 320 70 70 LYS CB C 32.697 0.2 1 321 70 70 LYS N N 123.947 0.2 1 322 71 71 ILE H H 8.885 0.01 1 323 71 71 ILE C C 175.169 0.2 1 324 71 71 ILE CA C 60.008 0.2 1 325 71 71 ILE CB C 37.757 0.2 1 326 71 71 ILE N N 127.510 0.2 1 327 72 72 ALA H H 8.348 0.01 1 328 72 72 ALA C C 177.802 0.2 1 329 72 72 ALA CA C 51.998 0.2 1 330 72 72 ALA CB C 19.039 0.2 1 331 72 72 ALA N N 128.291 0.2 1 332 73 73 ALA H H 8.620 0.01 1 333 73 73 ALA C C 177.288 0.2 1 334 73 73 ALA CA C 51.834 0.2 1 335 73 73 ALA CB C 19.190 0.2 1 336 73 73 ALA N N 123.313 0.2 1 337 74 74 ALA H H 8.407 0.01 1 338 74 74 ALA C C 175.270 0.2 1 339 74 74 ALA CA C 51.527 0.2 1 340 74 74 ALA CB C 21.804 0.2 1 341 74 74 ALA N N 121.212 0.2 1 342 75 75 ASN H H 9.287 0.01 1 343 75 75 ASN C C 175.849 0.2 1 344 75 75 ASN CA C 51.350 0.2 1 345 75 75 ASN N N 118.509 0.2 1 346 76 76 VAL H H 9.230 0.01 1 347 76 76 VAL CA C 58.696 0.2 1 348 76 76 VAL N N 123.713 0.2 1 349 77 77 PRO C C 174.621 0.2 1 350 77 77 PRO CA C 61.631 0.2 1 351 77 77 PRO CB C 31.459 0.2 1 352 78 78 ALA H H 9.403 0.01 1 353 78 78 ALA C C 174.524 0.2 1 354 78 78 ALA CA C 50.422 0.2 1 355 78 78 ALA CB C 22.902 0.2 1 356 78 78 ALA N N 126.006 0.2 1 357 79 79 PHE H H 8.390 0.01 1 358 79 79 PHE C C 174.417 0.2 1 359 79 79 PHE CA C 54.471 0.2 1 360 79 79 PHE CB C 39.759 0.2 1 361 79 79 PHE N N 118.787 0.2 1 362 80 80 VAL H H 8.614 0.01 1 363 80 80 VAL CA C 59.764 0.2 1 364 80 80 VAL N N 129.269 0.2 1 365 81 81 SER C C 174.667 0.2 1 366 81 81 SER CA C 59.363 0.2 1 367 81 81 SER CB C 63.968 0.2 1 368 82 82 GLY H H 8.365 0.01 1 369 82 82 GLY CA C 43.275 0.2 1 370 82 82 GLY N N 112.773 0.2 1 371 83 83 LYS C C 177.689 0.2 1 372 83 83 LYS CA C 59.628 0.2 1 373 83 83 LYS CB C 32.273 0.2 1 374 84 84 ALA H H 8.358 0.01 1 375 84 84 ALA C C 180.908 0.2 1 376 84 84 ALA CA C 54.754 0.2 1 377 84 84 ALA CB C 17.227 0.2 1 378 84 84 ALA N N 119.385 0.2 1 379 85 85 LEU H H 7.726 0.01 1 380 85 85 LEU C C 178.280 0.2 1 381 85 85 LEU CA C 56.974 0.2 1 382 85 85 LEU CB C 42.114 0.2 1 383 85 85 LEU N N 119.564 0.2 1 384 86 86 LYS H H 7.643 0.01 1 385 86 86 LYS C C 179.921 0.2 1 386 86 86 LYS CA C 60.136 0.2 1 387 86 86 LYS CB C 32.126 0.2 1 388 86 86 LYS N N 116.300 0.2 1 389 87 87 ASP H H 8.591 0.01 1 390 87 87 ASP C C 178.030 0.2 1 391 87 87 ASP CA C 56.010 0.2 1 392 87 87 ASP CB C 39.711 0.2 1 393 87 87 ASP N N 117.490 0.2 1 394 88 88 ALA H H 7.716 0.01 1 395 88 88 ALA C C 178.973 0.2 1 396 88 88 ALA CA C 53.746 0.2 1 397 88 88 ALA CB C 18.790 0.2 1 398 88 88 ALA N N 120.284 0.2 1 399 89 89 VAL H H 7.147 0.01 1 400 89 89 VAL C C 174.323 0.2 1 401 89 89 VAL CA C 61.051 0.2 1 402 89 89 VAL CB C 31.727 0.2 1 403 89 89 VAL N N 108.456 0.2 1 404 90 90 LYS H H 6.996 0.01 1 405 90 90 LYS C C 181.365 0.2 1 406 90 90 LYS CA C 58.178 0.2 1 407 90 90 LYS CB C 32.770 0.2 1 408 90 90 LYS N N 124.258 0.2 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CO)CA' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name HUAB_2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET C C 172.197 0.2 1 2 1 1 MET CA C 55.540 0.2 1 3 1 1 MET CB C 34.925 0.2 1 4 2 2 ASN H H 8.732 0.01 1 5 2 2 ASN C C 175.419 0.2 1 6 2 2 ASN CA C 51.040 0.2 1 7 2 2 ASN CB C 39.848 0.2 1 8 2 2 ASN N N 126.192 0.2 1 9 3 3 LYS H H 8.496 0.01 1 10 3 3 LYS C C 177.306 0.2 1 11 3 3 LYS CA C 61.193 0.2 1 12 3 3 LYS CB C 33.104 0.2 1 13 3 3 LYS N N 118.208 0.2 1 14 4 4 SER H H 8.191 0.01 1 15 4 4 SER C C 177.182 0.2 1 16 4 4 SER CA C 62.124 0.2 1 17 4 4 SER CB C 62.569 0.2 1 18 4 4 SER N N 113.600 0.2 1 19 5 5 GLN H H 8.357 0.01 1 20 5 5 GLN C C 179.362 0.2 1 21 5 5 GLN CA C 58.481 0.2 1 22 5 5 GLN CB C 29.928 0.2 1 23 5 5 GLN N N 120.309 0.2 1 24 6 6 LEU H H 8.302 0.01 1 25 6 6 LEU C C 178.609 0.2 1 26 6 6 LEU CA C 58.306 0.2 1 27 6 6 LEU CB C 38.594 0.2 1 28 6 6 LEU N N 122.524 0.2 1 29 7 7 ILE H H 8.600 0.01 1 30 7 7 ILE C C 177.477 0.2 1 31 7 7 ILE CA C 66.958 0.2 1 32 7 7 ILE CB C 37.279 0.2 1 33 7 7 ILE N N 120.789 0.2 1 34 8 8 ASP H H 7.568 0.01 1 35 8 8 ASP C C 179.986 0.2 1 36 8 8 ASP CA C 58.091 0.2 1 37 8 8 ASP CB C 39.989 0.2 1 38 8 8 ASP N N 118.920 0.2 1 39 9 9 LYS H H 7.618 0.01 1 40 9 9 LYS C C 180.248 0.2 1 41 9 9 LYS CA C 58.816 0.2 1 42 9 9 LYS CB C 33.203 0.2 1 43 9 9 LYS N N 119.845 0.2 1 44 10 10 ILE H H 8.640 0.01 1 45 10 10 ILE C C 177.181 0.2 1 46 10 10 ILE CA C 65.718 0.2 1 47 10 10 ILE N N 123.753 0.2 1 48 11 11 ALA H H 8.573 0.01 1 49 11 11 ALA C C 179.733 0.2 1 50 11 11 ALA CA C 55.541 0.2 1 51 11 11 ALA CB C 17.817 0.2 1 52 11 11 ALA N N 121.768 0.2 1 53 12 12 ALA H H 7.512 0.01 1 54 12 12 ALA C C 180.819 0.2 1 55 12 12 ALA CA C 54.275 0.2 1 56 12 12 ALA CB C 18.684 0.2 1 57 12 12 ALA N N 116.280 0.2 1 58 13 13 GLY H H 8.261 0.01 1 59 13 13 GLY C C 175.232 0.2 1 60 13 13 GLY CA C 46.715 0.2 1 61 13 13 GLY N N 105.753 0.2 1 62 14 14 ALA H H 8.333 0.01 1 63 14 14 ALA C C 175.495 0.2 1 64 14 14 ALA CA C 51.013 0.2 1 65 14 14 ALA CB C 19.060 0.2 1 66 14 14 ALA N N 119.787 0.2 1 67 15 15 ASP H H 7.733 0.01 1 68 15 15 ASP C C 175.043 0.2 1 69 15 15 ASP CA C 55.066 0.2 1 70 15 15 ASP CB C 39.263 0.2 1 71 15 15 ASP N N 119.573 0.2 1 72 16 16 ILE H H 7.983 0.01 1 73 16 16 ILE C C 174.677 0.2 1 74 16 16 ILE CA C 58.922 0.2 1 75 16 16 ILE CB C 41.367 0.2 1 76 16 16 ILE N N 110.135 0.2 1 77 17 17 SER H H 8.519 0.01 1 78 17 17 SER C C 174.831 0.2 1 79 17 17 SER CA C 57.448 0.2 1 80 17 17 SER CB C 64.862 0.2 1 81 17 17 SER N N 115.448 0.2 1 82 18 18 LYS H H 8.896 0.01 1 83 18 18 LYS C C 180.046 0.2 1 84 18 18 LYS CA C 60.697 0.2 1 85 18 18 LYS CB C 31.807 0.2 1 86 18 18 LYS N N 120.204 0.2 1 87 19 19 ALA H H 8.530 0.01 1 88 19 19 ALA C C 180.531 0.2 1 89 19 19 ALA CA C 55.165 0.2 1 90 19 19 ALA CB C 19.251 0.2 1 91 19 19 ALA N N 122.416 0.2 1 92 20 20 ALA H H 8.192 0.01 1 93 20 20 ALA C C 179.420 0.2 1 94 20 20 ALA CA C 55.234 0.2 1 95 20 20 ALA CB C 18.864 0.2 1 96 20 20 ALA N N 123.325 0.2 1 97 21 21 ALA H H 8.849 0.01 1 98 21 21 ALA C C 179.299 0.2 1 99 21 21 ALA CA C 55.256 0.2 1 100 21 21 ALA CB C 19.660 0.2 1 101 21 21 ALA N N 120.964 0.2 1 102 22 22 GLY H H 8.381 0.01 1 103 22 22 GLY C C 176.137 0.2 1 104 22 22 GLY CA C 47.205 0.2 1 105 22 22 GLY N N 105.444 0.2 1 106 23 23 ARG H H 7.805 0.01 1 107 23 23 ARG C C 180.183 0.2 1 108 23 23 ARG CA C 59.577 0.2 1 109 23 23 ARG CB C 30.505 0.2 1 110 23 23 ARG N N 120.781 0.2 1 111 24 24 ALA H H 8.715 0.01 1 112 24 24 ALA C C 178.313 0.2 1 113 24 24 ALA CA C 55.311 0.2 1 114 24 24 ALA CB C 17.396 0.2 1 115 24 24 ALA N N 122.746 0.2 1 116 25 25 LEU H H 8.365 0.01 1 117 25 25 LEU C C 178.429 0.2 1 118 25 25 LEU CA C 57.881 0.2 1 119 25 25 LEU CB C 40.697 0.2 1 120 25 25 LEU N N 118.575 0.2 1 121 26 26 ASP H H 8.271 0.01 1 122 26 26 ASP C C 179.065 0.2 1 123 26 26 ASP CA C 57.554 0.2 1 124 26 26 ASP CB C 39.602 0.2 1 125 26 26 ASP N N 118.634 0.2 1 126 27 27 ALA H H 8.099 0.01 1 127 27 27 ALA C C 180.506 0.2 1 128 27 27 ALA CA C 54.827 0.2 1 129 27 27 ALA CB C 18.766 0.2 1 130 27 27 ALA N N 122.247 0.2 1 131 28 28 ILE H H 8.216 0.01 1 132 28 28 ILE C C 176.639 0.2 1 133 28 28 ILE CA C 66.758 0.2 1 134 28 28 ILE CB C 37.624 0.2 1 135 28 28 ILE N N 122.297 0.2 1 136 29 29 ILE H H 7.896 0.01 1 137 29 29 ILE C C 179.284 0.2 1 138 29 29 ILE CA C 65.669 0.2 1 139 29 29 ILE CB C 38.260 0.2 1 140 29 29 ILE N N 118.827 0.2 1 141 30 30 ALA H H 8.628 0.01 1 142 30 30 ALA C C 179.956 0.2 1 143 30 30 ALA CA C 55.251 0.2 1 144 30 30 ALA CB C 18.398 0.2 1 145 30 30 ALA N N 123.151 0.2 1 146 31 31 SER H H 8.145 0.01 1 147 31 31 SER C C 177.238 0.2 1 148 31 31 SER CA C 62.587 0.2 1 149 31 31 SER CB C 63.397 0.2 1 150 31 31 SER N N 114.176 0.2 1 151 32 32 VAL H H 8.333 0.01 1 152 32 32 VAL C C 176.890 0.2 1 153 32 32 VAL CA C 66.994 0.2 1 154 32 32 VAL CB C 31.382 0.2 1 155 32 32 VAL N N 122.078 0.2 1 156 33 33 THR H H 7.753 0.01 1 157 33 33 THR C C 175.178 0.2 1 158 33 33 THR CA C 68.374 0.2 1 159 33 33 THR CB C 71.189 0.2 1 160 33 33 THR N N 114.710 0.2 1 161 34 34 GLU H H 8.389 0.01 1 162 34 34 GLU C C 178.888 0.2 1 163 34 34 GLU CA C 59.471 0.2 1 164 34 34 GLU CB C 29.385 0.2 1 165 34 34 GLU N N 119.235 0.2 1 166 35 35 SER H H 8.073 0.01 1 167 35 35 SER C C 176.473 0.2 1 168 35 35 SER CA C 62.971 0.2 1 169 35 35 SER CB C 63.314 0.2 1 170 35 35 SER N N 115.296 0.2 1 171 36 36 LEU H H 8.065 0.01 1 172 36 36 LEU C C 180.739 0.2 1 173 36 36 LEU CA C 58.255 0.2 1 174 36 36 LEU CB C 40.568 0.2 1 175 36 36 LEU N N 120.285 0.2 1 176 37 37 LYS H H 8.460 0.01 1 177 37 37 LYS C C 177.909 0.2 1 178 37 37 LYS CA C 60.209 0.2 1 179 37 37 LYS CB C 32.341 0.2 1 180 37 37 LYS N N 121.472 0.2 1 181 38 38 GLU H H 7.483 0.01 1 182 38 38 GLU C C 176.885 0.2 1 183 38 38 GLU CA C 56.049 0.2 1 184 38 38 GLU CB C 29.788 0.2 1 185 38 38 GLU N N 115.286 0.2 1 186 39 39 GLY H H 8.017 0.01 1 187 39 39 GLY C C 173.855 0.2 1 188 39 39 GLY CA C 45.718 0.2 1 189 39 39 GLY N N 108.382 0.2 1 190 40 40 ASP H H 8.305 0.01 1 191 40 40 ASP C C 174.524 0.2 1 192 40 40 ASP CA C 52.945 0.2 1 193 40 40 ASP CB C 42.606 0.2 1 194 40 40 ASP N N 122.704 0.2 1 195 41 41 ASP H H 8.173 0.01 1 196 41 41 ASP C C 176.452 0.2 1 197 41 41 ASP CA C 53.271 0.2 1 198 41 41 ASP CB C 41.891 0.2 1 199 41 41 ASP N N 120.997 0.2 1 200 42 42 VAL H H 9.057 0.01 1 201 42 42 VAL C C 174.082 0.2 1 202 42 42 VAL CA C 62.064 0.2 1 203 42 42 VAL CB C 33.206 0.2 1 204 42 42 VAL N N 119.634 0.2 1 205 43 43 ALA H H 8.653 0.01 1 206 43 43 ALA C C 175.761 0.2 1 207 43 43 ALA CA C 51.712 0.2 1 208 43 43 ALA CB C 20.243 0.2 1 209 43 43 ALA N N 131.528 0.2 1 210 44 44 LEU H H 8.638 0.01 1 211 44 44 LEU C C 175.664 0.2 1 212 44 44 LEU CA C 52.219 0.2 1 213 44 44 LEU CB C 41.991 0.2 1 214 44 44 LEU N N 124.381 0.2 1 215 45 45 VAL H H 8.314 0.01 1 216 45 45 VAL C C 175.404 0.2 1 217 45 45 VAL CA C 64.801 0.2 1 218 45 45 VAL N N 125.602 0.2 1 219 46 46 GLY C C 173.067 0.2 1 220 46 46 GLY CA C 45.800 0.2 1 221 47 47 PHE H H 8.310 0.01 1 222 47 47 PHE C C 174.619 0.2 1 223 47 47 PHE CA C 60.717 0.2 1 224 47 47 PHE CB C 41.367 0.2 1 225 47 47 PHE N N 122.365 0.2 1 226 48 48 GLY H H 8.589 0.01 1 227 48 48 GLY C C 171.235 0.2 1 228 48 48 GLY CA C 46.096 0.2 1 229 48 48 GLY N N 105.892 0.2 1 230 49 49 THR H H 7.716 0.01 1 231 49 49 THR C C 174.446 0.2 1 232 49 49 THR CA C 60.554 0.2 1 233 49 49 THR CB C 72.609 0.2 1 234 49 49 THR N N 113.903 0.2 1 235 50 50 PHE H H 9.528 0.01 1 236 50 50 PHE C C 173.693 0.2 1 237 50 50 PHE CA C 57.069 0.2 1 238 50 50 PHE CB C 41.791 0.2 1 239 50 50 PHE N N 126.989 0.2 1 240 51 51 ALA H H 9.036 0.01 1 241 51 51 ALA C C 176.131 0.2 1 242 51 51 ALA CA C 51.494 0.2 1 243 51 51 ALA CB C 23.762 0.2 1 244 51 51 ALA N N 124.946 0.2 1 245 52 52 VAL H H 8.863 0.01 1 246 52 52 VAL C C 175.632 0.2 1 247 52 52 VAL CA C 61.813 0.2 1 248 52 52 VAL CB C 33.276 0.2 1 249 52 52 VAL N N 119.418 0.2 1 250 53 53 LYS H H 8.935 0.01 1 251 53 53 LYS C C 174.749 0.2 1 252 53 53 LYS CA C 54.271 0.2 1 253 53 53 LYS CB C 35.301 0.2 1 254 53 53 LYS N N 126.902 0.2 1 255 54 54 GLU H H 8.731 0.01 1 256 54 54 GLU C C 176.036 0.2 1 257 54 54 GLU CA C 55.964 0.2 1 258 54 54 GLU CB C 31.001 0.2 1 259 54 54 GLU N N 123.372 0.2 1 260 55 55 ARG H H 9.094 0.01 1 261 55 55 ARG C C 175.234 0.2 1 262 55 55 ARG CA C 55.198 0.2 1 263 55 55 ARG CB C 31.605 0.2 1 264 55 55 ARG N N 127.805 0.2 1 265 56 56 ALA H H 8.440 0.01 1 266 56 56 ALA C C 177.841 0.2 1 267 56 56 ALA CA C 52.173 0.2 1 268 56 56 ALA CB C 19.525 0.2 1 269 56 56 ALA N N 127.222 0.2 1 270 57 57 ALA H H 8.636 0.01 1 271 57 57 ALA C C 177.498 0.2 1 272 57 57 ALA CA C 52.720 0.2 1 273 57 57 ALA CB C 19.180 0.2 1 274 57 57 ALA N N 123.752 0.2 1 275 58 58 ARG H H 8.620 0.01 1 276 58 58 ARG C C 174.791 0.2 1 277 58 58 ARG CA C 55.015 0.2 1 278 58 58 ARG CB C 33.129 0.2 1 279 58 58 ARG N N 119.217 0.2 1 280 59 59 THR H H 8.513 0.01 1 281 59 59 THR C C 174.596 0.2 1 282 59 59 THR CA C 61.484 0.2 1 283 59 59 THR CB C 70.431 0.2 1 284 59 59 THR N N 116.320 0.2 1 285 60 60 GLY H H 8.739 0.01 1 286 60 60 GLY C C 172.481 0.2 1 287 60 60 GLY CA C 44.566 0.2 1 288 60 60 GLY N N 112.701 0.2 1 289 61 61 ARG H H 8.531 0.01 1 290 61 61 ARG C C 175.724 0.2 1 291 61 61 ARG CA C 54.734 0.2 1 292 61 61 ARG CB C 32.596 0.2 1 293 61 61 ARG N N 120.335 0.2 1 294 62 62 ASN H H 8.914 0.01 1 295 62 62 ASN C C 174.986 0.2 1 296 62 62 ASN CA C 51.085 0.2 1 297 62 62 ASN CB C 39.339 0.2 1 298 62 62 ASN N N 125.748 0.2 1 299 63 63 PRO C C 177.638 0.2 1 300 63 63 PRO CA C 64.466 0.2 1 301 63 63 PRO CB C 32.043 0.2 1 302 64 64 GLN H H 8.275 0.01 1 303 64 64 GLN C C 177.512 0.2 1 304 64 64 GLN CA C 57.981 0.2 1 305 64 64 GLN CB C 29.360 0.2 1 306 64 64 GLN N N 116.384 0.2 1 307 65 65 THR H H 7.684 0.01 1 308 65 65 THR C C 176.307 0.2 1 309 65 65 THR CA C 61.388 0.2 1 310 65 65 THR CB C 70.748 0.2 1 311 65 65 THR N N 106.854 0.2 1 312 66 66 GLY H H 8.544 0.01 1 313 66 66 GLY C C 173.709 0.2 1 314 66 66 GLY CA C 45.619 0.2 1 315 66 66 GLY N N 111.344 0.2 1 316 67 67 LYS H H 7.656 0.01 1 317 67 67 LYS C C 176.091 0.2 1 318 67 67 LYS CA C 55.798 0.2 1 319 67 67 LYS CB C 33.465 0.2 1 320 67 67 LYS N N 119.833 0.2 1 321 68 68 GLU H H 8.700 0.01 1 322 68 68 GLU C C 176.227 0.2 1 323 68 68 GLU CA C 57.113 0.2 1 324 68 68 GLU CB C 30.564 0.2 1 325 68 68 GLU N N 122.581 0.2 1 326 69 69 ILE H H 8.444 0.01 1 327 69 69 ILE C C 174.969 0.2 1 328 69 69 ILE CA C 59.803 0.2 1 329 69 69 ILE CB C 41.619 0.2 1 330 69 69 ILE N N 121.486 0.2 1 331 70 70 THR H H 8.565 0.01 1 332 70 70 THR C C 173.947 0.2 1 333 70 70 THR CA C 62.366 0.2 1 334 70 70 THR CB C 69.950 0.2 1 335 70 70 THR N N 119.767 0.2 1 336 71 71 ILE H H 8.967 0.01 1 337 71 71 ILE C C 175.002 0.2 1 338 71 71 ILE CA C 60.580 0.2 1 339 71 71 ILE CB C 38.381 0.2 1 340 71 71 ILE N N 129.497 0.2 1 341 72 72 ALA H H 8.364 0.01 1 342 72 72 ALA C C 177.671 0.2 1 343 72 72 ALA CA C 52.318 0.2 1 344 72 72 ALA CB C 19.510 0.2 1 345 72 72 ALA N N 128.456 0.2 1 346 73 73 ALA H H 8.561 0.01 1 347 73 73 ALA C C 177.267 0.2 1 348 73 73 ALA CA C 52.624 0.2 1 349 73 73 ALA CB C 19.482 0.2 1 350 73 73 ALA N N 123.532 0.2 1 351 74 74 ALA H H 8.385 0.01 1 352 74 74 ALA C C 176.061 0.2 1 353 74 74 ALA CA C 51.511 0.2 1 354 74 74 ALA CB C 22.422 0.2 1 355 74 74 ALA N N 122.817 0.2 1 356 75 75 LYS H H 8.579 0.01 1 357 75 75 LYS C C 175.873 0.2 1 358 75 75 LYS CA C 56.054 0.2 1 359 75 75 LYS CB C 33.833 0.2 1 360 75 75 LYS N N 121.828 0.2 1 361 76 76 VAL H H 8.830 0.01 1 362 76 76 VAL C C 173.708 0.2 1 363 76 76 VAL CA C 57.896 0.2 1 364 76 76 VAL CB C 34.087 0.2 1 365 76 76 VAL N N 116.823 0.2 1 366 77 77 PRO C C 175.786 0.2 1 367 77 77 PRO CA C 62.343 0.2 1 368 77 77 PRO CB C 31.998 0.2 1 369 78 78 SER H H 9.006 0.01 1 370 78 78 SER C C 171.835 0.2 1 371 78 78 SER CA C 57.265 0.2 1 372 78 78 SER CB C 66.303 0.2 1 373 78 78 SER N N 117.025 0.2 1 374 79 79 PHE H H 8.624 0.01 1 375 79 79 PHE C C 173.696 0.2 1 376 79 79 PHE CA C 55.656 0.2 1 377 79 79 PHE CB C 43.732 0.2 1 378 79 79 PHE N N 123.000 0.2 1 379 80 80 ARG H H 8.014 0.01 1 380 80 80 ARG C C 174.668 0.2 1 381 80 80 ARG CA C 53.525 0.2 1 382 80 80 ARG CB C 31.419 0.2 1 383 80 80 ARG N N 128.111 0.2 1 384 81 81 ALA H H 8.543 0.01 1 385 81 81 ALA C C 177.087 0.2 1 386 81 81 ALA CA C 52.486 0.2 1 387 81 81 ALA CB C 20.203 0.2 1 388 81 81 ALA N N 128.214 0.2 1 389 82 82 GLY H H 8.317 0.01 1 390 82 82 GLY CA C 43.521 0.2 1 391 82 82 GLY N N 111.311 0.2 1 392 83 83 LYS C C 177.570 0.2 1 393 83 83 LYS CA C 60.276 0.2 1 394 83 83 LYS CB C 33.043 0.2 1 395 84 84 ALA H H 8.326 0.01 1 396 84 84 ALA C C 180.767 0.2 1 397 84 84 ALA CA C 55.125 0.2 1 398 84 84 ALA CB C 17.678 0.2 1 399 84 84 ALA N N 118.682 0.2 1 400 85 85 LEU H H 7.188 0.01 1 401 85 85 LEU C C 177.848 0.2 1 402 85 85 LEU CA C 57.561 0.2 1 403 85 85 LEU CB C 42.250 0.2 1 404 85 85 LEU N N 120.178 0.2 1 405 86 86 LYS H H 7.892 0.01 1 406 86 86 LYS C C 179.410 0.2 1 407 86 86 LYS CA C 60.891 0.2 1 408 86 86 LYS CB C 32.044 0.2 1 409 86 86 LYS N N 116.719 0.2 1 410 87 87 ASP H H 8.771 0.01 1 411 87 87 ASP C C 179.006 0.2 1 412 87 87 ASP CA C 56.917 0.2 1 413 87 87 ASP CB C 39.822 0.2 1 414 87 87 ASP N N 118.578 0.2 1 415 88 88 ALA H H 7.762 0.01 1 416 88 88 ALA C C 179.158 0.2 1 417 88 88 ALA CA C 54.624 0.2 1 418 88 88 ALA CB C 19.010 0.2 1 419 88 88 ALA N N 120.401 0.2 1 420 89 89 VAL H H 7.060 0.01 1 421 89 89 VAL C C 173.961 0.2 1 422 89 89 VAL CA C 60.341 0.2 1 423 89 89 VAL CB C 30.797 0.2 1 424 89 89 VAL N N 105.041 0.2 1 425 90 90 ASN H H 7.391 0.01 1 426 90 90 ASN C C 178.557 0.2 1 427 90 90 ASN CA C 55.366 0.2 1 428 90 90 ASN CB C 42.856 0.2 1 429 90 90 ASN N N 126.626 0.2 1 stop_ save_