data_18244 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the complex of the central activation doamin of Gcn4 bound to the mediator co-activator domain 1 of Gal11/med15 ; _BMRB_accession_number 18244 _BMRB_flat_file_name bmr18244.str _Entry_type original _Submission_date 2012-02-07 _Accession_date 2012-02-07 _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 Brzovic Peter S. . 2 Heikaus Clemens C. . 3 Kisselev Leonid . . 4 Vernon Robert . . 5 Herbig Eric . . 6 Pacheco Derek . . 7 Warfield Linda . . 8 Littlefield Peter . . 9 Baker David . . 10 Klevit Rachel E. . 11 Hahn Steven . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 639 "13C chemical shifts" 487 "15N chemical shifts" 102 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-28 original author . stop_ _Original_release_date 2012-03-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The Acidic Transcription Activator Gcn4 Binds the Mediator Subunit Gal11/Med15 Using a Simple Protein Interface Forming a Fuzzy Complex' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22195967 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Brzovic Peter S. . 2 Heikaus Clemens C. . 3 Kisselev Leonid . . 4 Vernon Robert . . 5 Herbig Eric . . 6 Pacheco Derek . . 7 Warfield Linda . . 8 Baker David . . 9 Klevit Rachel E. . 10 Hahn Steven . . stop_ _Journal_abbreviation 'Mol. Cell' _Journal_volume 44 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 942 _Page_last 953 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'complex of the central activation doamin of Gcn4 bound to the mediator co-activator domain 1 of Gal11/med15' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'central activation doamin of Gcn4' $entity_1 'domain 1 of Gal11/med15' $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 entity_1 _Molecular_mass 9514.164 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 81 _Mol_residue_sequence ; QRRQLTPQQQQLVNQMKVAP IPKQLLQRIPNIPPNINTWQ QVTALAQQKLLTPQDMEAAK QVYKIHQQLLFKARLQQQQA Q ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 158 GLN 2 159 ARG 3 160 ARG 4 161 GLN 5 162 LEU 6 163 THR 7 164 PRO 8 165 GLN 9 166 GLN 10 167 GLN 11 168 GLN 12 169 LEU 13 170 VAL 14 171 ASN 15 172 GLN 16 173 MET 17 174 LYS 18 175 VAL 19 176 ALA 20 177 PRO 21 178 ILE 22 179 PRO 23 180 LYS 24 181 GLN 25 182 LEU 26 183 LEU 27 184 GLN 28 185 ARG 29 186 ILE 30 187 PRO 31 188 ASN 32 189 ILE 33 190 PRO 34 191 PRO 35 192 ASN 36 193 ILE 37 194 ASN 38 195 THR 39 196 TRP 40 197 GLN 41 198 GLN 42 199 VAL 43 200 THR 44 201 ALA 45 202 LEU 46 203 ALA 47 204 GLN 48 205 GLN 49 206 LYS 50 207 LEU 51 208 LEU 52 209 THR 53 210 PRO 54 211 GLN 55 212 ASP 56 213 MET 57 214 GLU 58 215 ALA 59 216 ALA 60 217 LYS 61 218 GLN 62 219 VAL 63 220 TYR 64 221 LYS 65 222 ILE 66 223 HIS 67 224 GLN 68 225 GLN 69 226 LEU 70 227 LEU 71 228 PHE 72 229 LYS 73 230 ALA 74 231 ARG 75 232 LEU 76 233 GLN 77 234 GLN 78 235 GLN 79 236 GLN 80 237 ALA 81 238 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 PDB 2LPB "Structure Of The Complex Of The Central Activation Domain Of Gcn4 Bound To The Mediator Co-Activator Domain 1 Of Gal11MED15" 100.00 81 98.77 100.00 1.41e-44 DBJ GAA26277 "K7_Gal11p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 1093 98.77 100.00 5.54e-42 EMBL CAA62537 "transcriptional activator [Saccharomyces cerevisiae]" 100.00 351 98.77 100.00 7.89e-44 EMBL CAA99056 "GAL11 [Saccharomyces cerevisiae]" 100.00 1081 98.77 100.00 5.31e-42 EMBL CAY86238 "Gal11p [Saccharomyces cerevisiae EC1118]" 100.00 1096 98.77 100.00 7.39e-42 GB AAA34622 "auxiliary activator [Saccharomyces cerevisiae]" 100.00 1081 97.53 98.77 4.22e-41 GB AHY77262 "Gal11p [Saccharomyces cerevisiae YJM993]" 100.00 1090 98.77 100.00 5.78e-42 GB AJP41494 "Gal11p [Saccharomyces cerevisiae YJM1078]" 100.00 1100 98.77 100.00 7.37e-42 GB AJT70913 "Gal11p [Saccharomyces cerevisiae YJM189]" 100.00 1090 98.77 100.00 5.78e-42 GB AJT71404 "Gal11p [Saccharomyces cerevisiae YJM193]" 100.00 1090 98.77 100.00 6.07e-42 REF NP_014591 "Gal11p [Saccharomyces cerevisiae S288c]" 100.00 1081 98.77 100.00 5.31e-42 SP P19659 "RecName: Full=Mediator of RNA polymerase II transcription subunit 15; AltName: Full=Autonomous replication regulatory protein 3" 100.00 1081 98.77 100.00 5.31e-42 TPG DAA10733 "TPA: Gal11p [Saccharomyces cerevisiae S288c]" 100.00 1081 98.77 100.00 5.31e-42 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 3958.110 _Mol_thiol_state . _Details . _Residue_count 34 _Mol_residue_sequence ; STDSTPMFEYENLEDNSKEW TSLFDNDIPVTTDD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 101 SER 2 102 THR 3 103 ASP 4 104 SER 5 105 THR 6 106 PRO 7 107 MET 8 108 PHE 9 109 GLU 10 110 TYR 11 111 GLU 12 112 ASN 13 113 LEU 14 114 GLU 15 115 ASP 16 116 ASN 17 117 SER 18 118 LYS 19 119 GLU 20 120 TRP 21 121 THR 22 122 SER 23 123 LEU 24 124 PHE 25 125 ASP 26 126 ASN 27 127 ASP 28 128 ILE 29 129 PRO 30 130 VAL 31 131 THR 32 132 THR 33 133 ASP 34 134 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 PDB 2LPB "Structure Of The Complex Of The Central Activation Domain Of Gcn4 Bound To The Mediator Co-Activator Domain 1 Of Gal11MED15" 100.00 34 100.00 100.00 6.97e-14 DBJ GAA22815 "K7_Gcn4p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 281 100.00 100.00 4.10e-14 EMBL CAE52206 "Gcn4p [Saccharomyces cerevisiae]" 100.00 281 100.00 100.00 4.35e-14 EMBL CAE52207 "Gcn4p [Saccharomyces cerevisiae]" 100.00 281 100.00 100.00 4.35e-14 EMBL CAE52208 "Gcn4p [Saccharomyces cerevisiae]" 100.00 281 100.00 100.00 4.40e-14 EMBL CAE52209 "Gcn4p [Saccharomyces cerevisiae]" 100.00 281 100.00 100.00 4.35e-14 EMBL CAE52210 "Gcn4p [Saccharomyces cerevisiae]" 100.00 281 100.00 100.00 4.10e-14 GB AAA34640 "GCN4 protein [Saccharomyces cerevisiae]" 100.00 281 100.00 100.00 4.87e-14 GB AAA65521 "general control protein (GCN4) [Saccharomyces cerevisiae]" 100.00 249 100.00 100.00 7.24e-14 GB AAB64486 "Transcriptional activator of amino acid biosynthetic genes [Saccharomyces cerevisiae]" 100.00 281 100.00 100.00 4.87e-14 GB AHY75543 "Gcn4p [Saccharomyces cerevisiae YJM993]" 100.00 281 100.00 100.00 4.87e-14 GB EDN62959 "transcriptional activator of amino acid biosynthetic genes [Saccharomyces cerevisiae YJM789]" 100.00 281 100.00 100.00 4.35e-14 REF NP_010907 "Gcn4p [Saccharomyces cerevisiae S288c]" 100.00 281 100.00 100.00 4.87e-14 SP P03069 "RecName: Full=General control protein GCN4; AltName: Full=Amino acid biosynthesis regulatory protein [Saccharomyces cerevisiae " 100.00 281 100.00 100.00 4.87e-14 TPG DAA07643 "TPA: amino acid starvation-responsive transcription factor GCN4 [Saccharomyces cerevisiae S288c]" 100.00 281 100.00 100.00 4.87e-14 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae Gal11 $entity_2 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae Gcn4 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 . pet21a $entity_2 'recombinant technology' . Escherichia coli . petsumo 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_2 1-1.2 mM [U-15N] $entity_1 2-2.4 mM 'natural abundance' 'Sodum phosphate' 20 mM 'natural abundance' 'Sodum chloride' 150 mM 'natural abundance' PMSF 1 mM 'natural abundance' DTT 5 mM 'natural abundance' H20 90 % 'natural abundance' D2O 10 % '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_2 2-2.4 mM 'natural abundance' $entity_1 1-1.2 mM [U-15N] 'Sodum phosphate' 20 mM 'natural abundance' 'Sodum chloride' 150 mM 'natural abundance' PMSF 1 mM 'natural abundance' DTT 5 mM 'natural abundance' H20 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 1-1.2 mM '[U-13C; U-15N]' $entity_1 2-2.4 mM 'natural abundance' 'Sodum phosphate' 20 mM 'natural abundance' 'Sodum chloride' 150 mM 'natural abundance' PMSF 1 mM 'natural abundance' DTT 5 mM 'natural abundance' H20 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 1-1.2 mM '[U-13C; U-15N]' $entity_1 2-2.4 mM 'natural abundance' 'Sodum phosphate' 20 mM 'natural abundance' 'Sodum chloride' 150 mM 'natural abundance' PMSF 1 mM 'natural abundance' DTT 5 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 2-2.4 mM 'natural abundance' $entity_1 1-1.2 mM '[U-13C; U-15N]' 'Sodum phosphate' 20 mM 'natural abundance' 'Sodum chloride' 150 mM 'natural abundance' PMSF 1 mM 'natural abundance' DTT 5 mM 'natural abundance' H20 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_HADDOCK _Saveframe_category software _Name HADDOCK _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Alexandre Bonvin' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _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_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_5 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_5 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_5 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_5 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_5 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_4 save_ save_3D_1H-13C_NOESY_aliphatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_5 save_ save_3D_1H-13C_NOESY_aromatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_4 save_ save_3D_1H-13C_NOESY_aromatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_5 save_ save_3D_C(CO)NH_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_3 save_ save_3D_C(CO)NH_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_5 save_ save_3D_H(CCO)NH_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_3 save_ save_3D_H(CCO)NH_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_5 save_ save_2D_1H-13C_HSQC_aliphatic_21 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aliphatic_22 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_5 save_ save_2D_1H-13C_HSQC_aromatic_23 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aromatic_24 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_5 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' 0.150 . M pH 6.5 . 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 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCA' '3D HNCO' '3D HNCACB' '3D C(CO)NH' '3D H(CCO)NH' '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $sample_3 $sample_5 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'central activation doamin of Gcn4' _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 ARG HA H 4.3530 . 1 2 2 2 ARG HB2 H 1.8000 . 2 3 2 2 ARG HB3 H 1.7490 . 2 4 2 2 ARG HD2 H 3.1500 . 2 5 2 2 ARG HD3 H 3.1500 . 2 6 2 2 ARG C C 178.2000 . 1 7 2 2 ARG CA C 56.3000 . 1 8 2 2 ARG CB C 30.9000 . 1 9 2 2 ARG CD C 43.4000 . 1 10 3 3 ARG H H 8.5580 . 1 11 3 3 ARG HA H 4.3060 . 1 12 3 3 ARG HB2 H 1.7740 . 2 13 3 3 ARG HB3 H 1.7300 . 2 14 3 3 ARG HG2 H 1.6150 . 2 15 3 3 ARG HG3 H 1.6150 . 2 16 3 3 ARG HD2 H 3.1330 . 2 17 3 3 ARG HD3 H 3.1330 . 2 18 3 3 ARG C C 178.0000 . 1 19 3 3 ARG CA C 56.1000 . 1 20 3 3 ARG CB C 31.0000 . 1 21 3 3 ARG CG C 27.2000 . 1 22 3 3 ARG CD C 43.4000 . 1 23 3 3 ARG N N 123.6230 . 1 24 4 4 GLN H H 8.5150 . 1 25 4 4 GLN HA H 4.3550 . 1 26 4 4 GLN HB2 H 2.0310 . 2 27 4 4 GLN HB3 H 1.9210 . 2 28 4 4 GLN HG2 H 2.3360 . 2 29 4 4 GLN HG3 H 2.3360 . 2 30 4 4 GLN C C 177.9000 . 1 31 4 4 GLN CA C 55.5000 . 1 32 4 4 GLN CB C 29.6000 . 1 33 4 4 GLN CG C 33.8000 . 1 34 4 4 GLN N N 122.9620 . 1 35 5 5 LEU H H 8.4800 . 1 36 5 5 LEU HA H 4.5770 . 1 37 5 5 LEU HB2 H 1.6430 . 2 38 5 5 LEU HB3 H 1.5060 . 2 39 5 5 LEU HG H 1.6720 . 1 40 5 5 LEU HD1 H 0.7900 . 2 41 5 5 LEU HD2 H 0.7340 . 2 42 5 5 LEU C C 180.5000 . 1 43 5 5 LEU CA C 54.7000 . 1 44 5 5 LEU CB C 42.9000 . 1 45 5 5 LEU CG C 27.2000 . 1 46 5 5 LEU CD1 C 25.6000 . 1 47 5 5 LEU CD2 C 23.1000 . 1 48 5 5 LEU N N 124.7550 . 1 49 6 6 THR H H 8.6230 . 1 50 6 6 THR HA H 4.5960 . 1 51 6 6 THR HB H 4.7100 . 1 52 6 6 THR HG2 H 1.3290 . 1 53 6 6 THR CA C 60.2000 . 1 54 6 6 THR CB C 68.2000 . 1 55 6 6 THR CG2 C 21.9000 . 1 56 6 6 THR N N 114.7270 . 1 57 7 7 PRO HA H 4.2630 . 1 58 7 7 PRO HB2 H 2.3860 . 2 59 7 7 PRO HB3 H 1.9010 . 2 60 7 7 PRO HG2 H 2.2170 . 2 61 7 7 PRO HG3 H 2.0120 . 2 62 7 7 PRO HD2 H 3.8880 . 2 63 7 7 PRO HD3 H 3.9180 . 2 64 7 7 PRO C C 181.6000 . 1 65 7 7 PRO CA C 65.9000 . 1 66 7 7 PRO CB C 31.6000 . 1 67 7 7 PRO CG C 28.2000 . 1 68 7 7 PRO CD C 50.3000 . 1 69 8 8 GLN H H 8.4390 . 1 70 8 8 GLN HA H 4.0630 . 1 71 8 8 GLN HB2 H 2.0810 . 2 72 8 8 GLN HB3 H 1.9700 . 2 73 8 8 GLN HG2 H 2.4400 . 2 74 8 8 GLN HG3 H 2.4400 . 2 75 8 8 GLN C C 181.3000 . 1 76 8 8 GLN CA C 59.5000 . 1 77 8 8 GLN CB C 28.3000 . 1 78 8 8 GLN CG C 34.4000 . 1 79 8 8 GLN N N 116.4290 . 1 80 9 9 GLN H H 7.7600 . 1 81 9 9 GLN HA H 3.9480 . 1 82 9 9 GLN HB2 H 2.3550 . 2 83 9 9 GLN HB3 H 1.8070 . 2 84 9 9 GLN HG2 H 2.3970 . 2 85 9 9 GLN HG3 H 2.1510 . 2 86 9 9 GLN C C 180.6000 . 1 87 9 9 GLN CA C 58.7000 . 1 88 9 9 GLN CB C 29.3000 . 1 89 9 9 GLN CG C 34.4000 . 1 90 9 9 GLN N N 120.1640 . 1 91 10 10 GLN H H 8.7870 . 1 92 10 10 GLN HA H 3.8600 . 1 93 10 10 GLN HB2 H 2.1680 . 2 94 10 10 GLN HB3 H 2.0860 . 2 95 10 10 GLN HG2 H 2.3020 . 2 96 10 10 GLN HG3 H 2.3020 . 2 97 10 10 GLN C C 180.3000 . 1 98 10 10 GLN CA C 58.6000 . 1 99 10 10 GLN CB C 29.0000 . 1 100 10 10 GLN CG C 34.1000 . 1 101 10 10 GLN N N 119.1640 . 1 102 11 11 GLN H H 7.9870 . 1 103 11 11 GLN HA H 4.1110 . 1 104 11 11 GLN HB2 H 2.1730 . 2 105 11 11 GLN HB3 H 2.1730 . 2 106 11 11 GLN HG2 H 2.5150 . 2 107 11 11 GLN HG3 H 2.4040 . 2 108 11 11 GLN C C 180.6000 . 1 109 11 11 GLN CA C 58.9000 . 1 110 11 11 GLN CB C 28.5000 . 1 111 11 11 GLN CG C 33.8000 . 1 112 11 11 GLN N N 118.1390 . 1 113 12 12 LEU H H 7.4570 . 1 114 12 12 LEU HA H 4.1380 . 1 115 12 12 LEU HB2 H 1.7420 . 2 116 12 12 LEU HB3 H 1.7110 . 2 117 12 12 LEU HG H 1.6150 . 1 118 12 12 LEU HD1 H 0.8100 . 2 119 12 12 LEU HD2 H 0.8100 . 2 120 12 12 LEU C C 181.3000 . 1 121 12 12 LEU CA C 58.1000 . 1 122 12 12 LEU CB C 41.6000 . 1 123 12 12 LEU CG C 27.1000 . 1 124 12 12 LEU CD1 C 24.7000 . 1 125 12 12 LEU CD2 C 24.5000 . 1 126 12 12 LEU N N 120.6490 . 1 127 13 13 VAL H H 8.1010 . 1 128 13 13 VAL HA H 3.5700 . 1 129 13 13 VAL HB H 2.1250 . 1 130 13 13 VAL HG1 H 0.9100 . 2 131 13 13 VAL HG2 H 1.0060 . 2 132 13 13 VAL C C 180.7000 . 1 133 13 13 VAL CA C 66.7000 . 1 134 13 13 VAL CB C 31.7000 . 1 135 13 13 VAL CG1 C 21.4000 . 1 136 13 13 VAL CG2 C 23.1000 . 1 137 13 13 VAL N N 119.7720 . 1 138 14 14 ASN H H 8.2530 . 1 139 14 14 ASN HA H 4.4540 . 1 140 14 14 ASN HB2 H 2.9970 . 2 141 14 14 ASN HB3 H 2.8520 . 2 142 14 14 ASN C C 180.8000 . 1 143 14 14 ASN CA C 56.0000 . 1 144 14 14 ASN CB C 37.6000 . 1 145 14 14 ASN N N 118.2780 . 1 146 15 15 GLN H H 8.1120 . 1 147 15 15 GLN HA H 4.1520 . 1 148 15 15 GLN HB2 H 2.2790 . 2 149 15 15 GLN HB3 H 2.1760 . 2 150 15 15 GLN HG2 H 2.5750 . 2 151 15 15 GLN HG3 H 2.3730 . 2 152 15 15 GLN C C 181.1000 . 1 153 15 15 GLN CA C 58.6000 . 1 154 15 15 GLN CB C 28.8000 . 1 155 15 15 GLN CG C 34.2000 . 1 156 15 15 GLN N N 120.0790 . 1 157 16 16 MET H H 8.3710 . 1 158 16 16 MET HA H 4.2660 . 1 159 16 16 MET HB2 H 2.1880 . 2 160 16 16 MET HB3 H 2.3040 . 2 161 16 16 MET HG2 H 2.4880 . 2 162 16 16 MET HG3 H 2.4880 . 2 163 16 16 MET HE H 1.1750 . 1 164 16 16 MET C C 180.3000 . 1 165 16 16 MET CA C 57.3000 . 1 166 16 16 MET CB C 31.4000 . 1 167 16 16 MET CG C 32.2000 . 1 168 16 16 MET CE C 16.5000 . 1 169 16 16 MET N N 118.3230 . 1 170 17 17 LYS H H 7.7980 . 1 171 17 17 LYS HA H 4.4500 . 1 172 17 17 LYS HB2 H 1.9340 . 2 173 17 17 LYS HB3 H 1.9100 . 2 174 17 17 LYS HD2 H 1.6570 . 2 175 17 17 LYS HD3 H 1.6570 . 2 176 17 17 LYS HE2 H 2.8460 . 2 177 17 17 LYS HE3 H 2.8270 . 2 178 17 17 LYS C C 178.4000 . 1 179 17 17 LYS CA C 55.8000 . 1 180 17 17 LYS CB C 33.6000 . 1 181 17 17 LYS CD C 29.8000 . 1 182 17 17 LYS CE C 41.9400 . 1 183 17 17 LYS N N 117.1790 . 1 184 18 18 VAL H H 6.8940 . 1 185 18 18 VAL HA H 4.6740 . 1 186 18 18 VAL HB H 2.4640 . 1 187 18 18 VAL HG1 H 0.9500 . 2 188 18 18 VAL HG2 H 0.9320 . 2 189 18 18 VAL C C 177.7000 . 1 190 18 18 VAL CA C 60.1000 . 1 191 18 18 VAL CB C 33.2000 . 1 192 18 18 VAL CG1 C 18.4000 . 1 193 18 18 VAL CG2 C 21.6000 . 1 194 18 18 VAL N N 135.7730 . 1 195 19 19 ALA H H 7.5080 . 1 196 19 19 ALA HA H 4.6530 . 1 197 19 19 ALA HB H 1.5230 . 1 198 19 19 ALA CA C 50.2000 . 1 199 19 19 ALA CB C 18.8000 . 1 200 19 19 ALA N N 127.2670 . 1 201 20 20 PRO HA H 4.4390 . 1 202 20 20 PRO HB2 H 2.1340 . 2 203 20 20 PRO HB3 H 1.8200 . 2 204 20 20 PRO HG2 H 2.1450 . 2 205 20 20 PRO HG3 H 1.9780 . 2 206 20 20 PRO HD2 H 4.0500 . 2 207 20 20 PRO HD3 H 3.6900 . 2 208 20 20 PRO C C 179.7000 . 1 209 20 20 PRO CA C 62.9000 . 1 210 20 20 PRO CB C 31.4000 . 1 211 20 20 PRO CG C 28.1000 . 1 212 20 20 PRO CD C 50.4000 . 1 213 21 21 ILE H H 8.6590 . 1 214 21 21 ILE HA H 3.5710 . 1 215 21 21 ILE HB H 1.0430 . 1 216 21 21 ILE HG12 H 1.3760 . 2 217 21 21 ILE HG13 H 0.3830 . 2 218 21 21 ILE HG2 H 0.4620 . 1 219 21 21 ILE HD1 H -0.8890 . 1 220 21 21 ILE CA C 59.7000 . 1 221 21 21 ILE CB C 39.3000 . 1 222 21 21 ILE CG1 C 27.7000 . 1 223 21 21 ILE CG2 C 17.1000 . 1 224 21 21 ILE CD1 C 12.0440 . 1 225 21 21 ILE N N 128.9570 . 1 226 22 22 PRO HA H 4.2980 . 1 227 22 22 PRO HB2 H 2.4460 . 2 228 22 22 PRO HB3 H 1.6800 . 2 229 22 22 PRO HG2 H 1.9820 . 2 230 22 22 PRO HG3 H 1.7680 . 2 231 22 22 PRO HD2 H 3.5830 . 2 232 22 22 PRO HD3 H 2.8090 . 2 233 22 22 PRO C C 180.6000 . 1 234 22 22 PRO CA C 62.9000 . 1 235 22 22 PRO CB C 32.6000 . 1 236 22 22 PRO CG C 27.8000 . 1 237 22 22 PRO CD C 50.1000 . 1 238 23 23 LYS H H 8.8710 . 1 239 23 23 LYS HA H 3.8480 . 1 240 23 23 LYS HB2 H 1.9130 . 2 241 23 23 LYS HB3 H 1.9830 . 2 242 23 23 LYS HG2 H 1.5130 . 2 243 23 23 LYS HG3 H 1.4470 . 2 244 23 23 LYS HD2 H 1.6890 . 2 245 23 23 LYS HD3 H 1.6890 . 2 246 23 23 LYS HE2 H 2.9720 . 2 247 23 23 LYS HE3 H 2.9720 . 2 248 23 23 LYS C C 180.3000 . 1 249 23 23 LYS CA C 60.2000 . 1 250 23 23 LYS CB C 32.4000 . 1 251 23 23 LYS CG C 24.8000 . 1 252 23 23 LYS CD C 29.1000 . 1 253 23 23 LYS CE C 42.2000 . 1 254 23 23 LYS N N 126.0520 . 1 255 24 24 GLN H H 9.0380 . 1 256 24 24 GLN HA H 4.1020 . 1 257 24 24 GLN HB2 H 2.0000 . 2 258 24 24 GLN HB3 H 2.0000 . 2 259 24 24 GLN HG2 H 2.4660 . 2 260 24 24 GLN HG3 H 2.3260 . 2 261 24 24 GLN C C 179.0000 . 1 262 24 24 GLN CA C 58.6000 . 1 263 24 24 GLN CB C 27.4000 . 1 264 24 24 GLN CG C 33.8000 . 1 265 24 24 GLN N N 115.6580 . 1 266 25 25 LEU H H 7.3090 . 1 267 25 25 LEU HA H 4.2310 . 1 268 25 25 LEU HB2 H 1.6850 . 2 269 25 25 LEU HB3 H 1.3880 . 2 270 25 25 LEU HG H 1.5710 . 1 271 25 25 LEU HD1 H 0.8350 . 2 272 25 25 LEU HD2 H 0.8560 . 2 273 25 25 LEU C C 180.3000 . 1 274 25 25 LEU CA C 56.6000 . 1 275 25 25 LEU CB C 40.9000 . 1 276 25 25 LEU CG C 27.4000 . 1 277 25 25 LEU CD1 C 24.7000 . 1 278 25 25 LEU CD2 C 22.6000 . 1 279 25 25 LEU N N 117.0880 . 1 280 26 26 LEU H H 7.8420 . 1 281 26 26 LEU HA H 3.6990 . 1 282 26 26 LEU HB2 H 1.5610 . 2 283 26 26 LEU HB3 H 1.5100 . 2 284 26 26 LEU HG H 1.4050 . 1 285 26 26 LEU HD1 H 0.7460 . 2 286 26 26 LEU HD2 H 0.6660 . 2 287 26 26 LEU C C 181.3000 . 1 288 26 26 LEU CA C 57.9000 . 1 289 26 26 LEU CB C 42.4000 . 1 290 26 26 LEU CG C 26.3000 . 1 291 26 26 LEU CD1 C 25.1000 . 1 292 26 26 LEU CD2 C 24.3000 . 1 293 26 26 LEU N N 120.9170 . 1 294 27 27 GLN H H 7.5050 . 1 295 27 27 GLN HA H 4.0820 . 1 296 27 27 GLN HB2 H 2.0500 . 2 297 27 27 GLN HB3 H 2.0500 . 2 298 27 27 GLN HG2 H 2.4250 . 2 299 27 27 GLN HG3 H 2.4250 . 2 300 27 27 GLN C C 178.8000 . 1 301 27 27 GLN CA C 57.3000 . 1 302 27 27 GLN CB C 28.5000 . 1 303 27 27 GLN CG C 34.0000 . 1 304 27 27 GLN N N 112.1120 . 1 305 28 28 ARG H H 7.4880 . 1 306 28 28 ARG HA H 4.1870 . 1 307 28 28 ARG HB2 H 2.1040 . 2 308 28 28 ARG HB3 H 1.9500 . 2 309 28 28 ARG HG2 H 1.8920 . 2 310 28 28 ARG HG3 H 1.6910 . 2 311 28 28 ARG HD2 H 3.2350 . 2 312 28 28 ARG HD3 H 3.1540 . 2 313 28 28 ARG C C 177.9000 . 1 314 28 28 ARG CA C 56.6000 . 1 315 28 28 ARG CB C 30.7000 . 1 316 28 28 ARG CG C 27.4000 . 1 317 28 28 ARG CD C 43.8000 . 1 318 28 28 ARG N N 116.6590 . 1 319 29 29 ILE H H 7.6300 . 1 320 29 29 ILE HA H 4.3520 . 1 321 29 29 ILE HB H 2.0820 . 1 322 29 29 ILE HG12 H 1.9190 . 2 323 29 29 ILE HG13 H 0.7490 . 2 324 29 29 ILE HG2 H 0.9490 . 1 325 29 29 ILE HD1 H 0.8410 . 1 326 29 29 ILE CA C 59.3000 . 1 327 29 29 ILE CB C 37.8000 . 1 328 29 29 ILE CG1 C 27.5000 . 1 329 29 29 ILE CG2 C 18.4200 . 1 330 29 29 ILE CD1 C 14.1000 . 1 331 29 29 ILE N N 121.0780 . 1 332 30 30 PRO HA H 4.2560 . 1 333 30 30 PRO HB2 H 2.2160 . 2 334 30 30 PRO HB3 H 1.9610 . 2 335 30 30 PRO HG2 H 2.1060 . 2 336 30 30 PRO HG3 H 1.9200 . 2 337 30 30 PRO HD2 H 4.0410 . 2 338 30 30 PRO HD3 H 3.6940 . 2 339 30 30 PRO C C 178.5000 . 1 340 30 30 PRO CA C 64.1000 . 1 341 30 30 PRO CB C 32.4000 . 1 342 30 30 PRO CG C 27.4000 . 1 343 30 30 PRO CD C 50.9000 . 1 344 31 31 ASN H H 8.4640 . 1 345 31 31 ASN HA H 4.3980 . 1 346 31 31 ASN HB2 H 2.9760 . 2 347 31 31 ASN HB3 H 2.9160 . 2 348 31 31 ASN C C 177.5000 . 1 349 31 31 ASN CA C 54.4000 . 1 350 31 31 ASN CB C 37.7000 . 1 351 31 31 ASN N N 110.3350 . 1 352 32 32 ILE H H 7.3250 . 1 353 32 32 ILE HA H 4.4160 . 1 354 32 32 ILE HB H 1.7810 . 1 355 32 32 ILE HG12 H 1.4080 . 2 356 32 32 ILE HG13 H 1.2210 . 2 357 32 32 ILE HG2 H 0.9080 . 1 358 32 32 ILE HD1 H 0.7740 . 1 359 32 32 ILE CA C 58.1000 . 1 360 32 32 ILE CB C 38.6000 . 1 361 32 32 ILE CG1 C 26.8000 . 1 362 32 32 ILE CG2 C 18.3000 . 1 363 32 32 ILE CD1 C 14.0000 . 1 364 32 32 ILE N N 117.6080 . 1 365 33 33 PRO HA H 4.7490 . 1 366 33 33 PRO HB2 H 2.4540 . 2 367 33 33 PRO HB3 H 1.9980 . 2 368 33 33 PRO HG2 H 2.0570 . 2 369 33 33 PRO HG3 H 2.0200 . 2 370 33 33 PRO HD2 H 4.0090 . 2 371 33 33 PRO HD3 H 3.3680 . 2 372 33 33 PRO CA C 61.7000 . 1 373 33 33 PRO CB C 31.0000 . 1 374 33 33 PRO CG C 27.3000 . 1 375 33 33 PRO CD C 51.2000 . 1 376 34 34 PRO HA H 4.3910 . 1 377 34 34 PRO HB2 H 2.2960 . 2 378 34 34 PRO HB3 H 1.9000 . 2 379 34 34 PRO HG2 H 2.0180 . 2 380 34 34 PRO HG3 H 1.9530 . 2 381 34 34 PRO HD2 H 3.7520 . 2 382 34 34 PRO HD3 H 3.6440 . 2 383 34 34 PRO C C 178.6000 . 1 384 34 34 PRO CA C 63.7000 . 1 385 34 34 PRO CB C 32.0000 . 1 386 34 34 PRO CG C 27.3000 . 1 387 34 34 PRO CD C 50.5000 . 1 388 35 35 ASN H H 8.2560 . 1 389 35 35 ASN HA H 4.4560 . 1 390 35 35 ASN HB2 H 2.9780 . 2 391 35 35 ASN HB3 H 2.7660 . 2 392 35 35 ASN C C 176.5000 . 1 393 35 35 ASN CA C 53.7000 . 1 394 35 35 ASN CB C 37.3000 . 1 395 35 35 ASN N N 112.8270 . 1 396 36 36 ILE H H 7.1660 . 1 397 36 36 ILE HA H 4.1440 . 1 398 36 36 ILE HB H 1.9180 . 1 399 36 36 ILE HG12 H 1.4020 . 2 400 36 36 ILE HG13 H 1.2030 . 2 401 36 36 ILE HG2 H 0.7060 . 1 402 36 36 ILE HD1 H 0.6890 . 1 403 36 36 ILE C C 177.2000 . 1 404 36 36 ILE CA C 59.1000 . 1 405 36 36 ILE CB C 37.0000 . 1 406 36 36 ILE CG1 C 26.7000 . 1 407 36 36 ILE CG2 C 17.9000 . 1 408 36 36 ILE CD1 C 11.7000 . 1 409 36 36 ILE N N 119.1330 . 1 410 37 37 ASN H H 8.7640 . 1 411 37 37 ASN HA H 4.6670 . 1 412 37 37 ASN HB2 H 2.9520 . 2 413 37 37 ASN HB3 H 2.6450 . 2 414 37 37 ASN C C 175.6000 . 1 415 37 37 ASN CA C 53.4000 . 1 416 37 37 ASN CB C 40.4000 . 1 417 37 37 ASN N N 121.0680 . 1 418 38 38 THR H H 7.5270 . 1 419 38 38 THR HA H 4.9240 . 1 420 38 38 THR HB H 4.8020 . 1 421 38 38 THR HG2 H 1.0700 . 1 422 38 38 THR C C 178.0000 . 1 423 38 38 THR CA C 58.8000 . 1 424 38 38 THR CB C 73.5000 . 1 425 38 38 THR CG2 C 21.4000 . 1 426 38 38 THR N N 106.7950 . 1 427 39 39 TRP H H 10.3630 . 1 428 39 39 TRP HA H 4.5330 . 1 429 39 39 TRP HB2 H 3.3850 . 2 430 39 39 TRP HB3 H 3.3430 . 2 431 39 39 TRP HD1 H 7.9400 . 1 432 39 39 TRP HE3 H 7.3980 . 1 433 39 39 TRP HZ2 H 7.2460 . 1 434 39 39 TRP HZ3 H 6.7350 . 1 435 39 39 TRP HH2 H 7.2100 . 1 436 39 39 TRP C C 182.3000 . 1 437 39 39 TRP CA C 60.1000 . 1 438 39 39 TRP CB C 29.4000 . 1 439 39 39 TRP CD1 C 129.0000 . 1 440 39 39 TRP CE3 C 120.4210 . 1 441 39 39 TRP CZ2 C 113.3000 . 1 442 39 39 TRP CZ3 C 120.5000 . 1 443 39 39 TRP CH2 C 124.0160 . 1 444 39 39 TRP N N 123.7440 . 1 445 40 40 GLN H H 8.5500 . 1 446 40 40 GLN HA H 4.2680 . 1 447 40 40 GLN HB2 H 2.2060 . 2 448 40 40 GLN HB3 H 2.0950 . 2 449 40 40 GLN HG2 H 2.4420 . 2 450 40 40 GLN HG3 H 2.4420 . 2 451 40 40 GLN C C 180.9000 . 1 452 40 40 GLN CA C 59.5000 . 1 453 40 40 GLN CB C 28.5000 . 1 454 40 40 GLN CG C 33.4000 . 1 455 40 40 GLN N N 120.2070 . 1 456 41 41 GLN H H 7.5940 . 1 457 41 41 GLN HA H 4.1910 . 1 458 41 41 GLN HB2 H 2.5730 . 2 459 41 41 GLN HB3 H 2.0600 . 2 460 41 41 GLN HG2 H 2.4140 . 2 461 41 41 GLN HG3 H 2.4140 . 2 462 41 41 GLN C C 181.5000 . 1 463 41 41 GLN CA C 58.5000 . 1 464 41 41 GLN CB C 30.4000 . 1 465 41 41 GLN CG C 34.7000 . 1 466 41 41 GLN N N 118.1630 . 1 467 42 42 VAL H H 8.1160 . 1 468 42 42 VAL HA H 3.4790 . 1 469 42 42 VAL HB H 2.4160 . 1 470 42 42 VAL HG1 H 1.0650 . 2 471 42 42 VAL HG2 H 0.6950 . 2 472 42 42 VAL C C 180.0000 . 1 473 42 42 VAL CA C 67.5000 . 1 474 42 42 VAL CB C 32.0000 . 1 475 42 42 VAL CG1 C 21.3000 . 1 476 42 42 VAL CG2 C 22.3000 . 1 477 42 42 VAL N N 121.1120 . 1 478 43 43 THR H H 8.7260 . 1 479 43 43 THR HA H 3.9040 . 1 480 43 43 THR HB H 4.3390 . 1 481 43 43 THR HG2 H 1.2110 . 1 482 43 43 THR C C 178.9000 . 1 483 43 43 THR CA C 67.0000 . 1 484 43 43 THR CB C 68.5000 . 1 485 43 43 THR CG2 C 21.9000 . 1 486 43 43 THR N N 113.8700 . 1 487 44 44 ALA H H 7.5390 . 1 488 44 44 ALA HA H 4.2800 . 1 489 44 44 ALA HB H 1.5490 . 1 490 44 44 ALA C C 182.7000 . 1 491 44 44 ALA CA C 55.5000 . 1 492 44 44 ALA CB C 17.9000 . 1 493 44 44 ALA N N 124.3690 . 1 494 45 45 LEU H H 7.7160 . 1 495 45 45 LEU HA H 4.0680 . 1 496 45 45 LEU HB2 H 2.2140 . 2 497 45 45 LEU HB3 H 1.3360 . 2 498 45 45 LEU HG H 1.9940 . 1 499 45 45 LEU HD1 H 0.9320 . 2 500 45 45 LEU HD2 H 0.8820 . 2 501 45 45 LEU C C 182.2000 . 1 502 45 45 LEU CA C 58.1000 . 1 503 45 45 LEU CB C 41.8000 . 1 504 45 45 LEU CG C 26.6000 . 1 505 45 45 LEU CD1 C 26.6000 . 1 506 45 45 LEU CD2 C 23.3000 . 1 507 45 45 LEU N N 117.8960 . 1 508 46 46 ALA H H 8.1170 . 1 509 46 46 ALA HA H 4.1840 . 1 510 46 46 ALA HB H 1.6170 . 1 511 46 46 ALA C C 184.3000 . 1 512 46 46 ALA CA C 55.4000 . 1 513 46 46 ALA CB C 18.1000 . 1 514 46 46 ALA N N 121.7460 . 1 515 47 47 GLN H H 8.5150 . 1 516 47 47 GLN HA H 4.0880 . 1 517 47 47 GLN HB2 H 2.3230 . 2 518 47 47 GLN HB3 H 2.2420 . 2 519 47 47 GLN HG2 H 2.5890 . 2 520 47 47 GLN HG3 H 2.4520 . 2 521 47 47 GLN C C 180.1000 . 1 522 47 47 GLN CA C 58.9000 . 1 523 47 47 GLN CB C 28.5000 . 1 524 47 47 GLN CG C 34.1000 . 1 525 47 47 GLN N N 120.2470 . 1 526 48 48 GLN H H 7.5340 . 1 527 48 48 GLN HA H 4.2900 . 1 528 48 48 GLN HB2 H 2.4020 . 2 529 48 48 GLN HB3 H 2.0120 . 2 530 48 48 GLN HG2 H 2.5920 . 2 531 48 48 GLN HG3 H 2.4330 . 2 532 48 48 GLN C C 176.7000 . 1 533 48 48 GLN CA C 55.9000 . 1 534 48 48 GLN CB C 30.0000 . 1 535 48 48 GLN CG C 34.6000 . 1 536 48 48 GLN N N 116.1670 . 1 537 49 49 LYS H H 7.9570 . 1 538 49 49 LYS HA H 4.1180 . 1 539 49 49 LYS HB2 H 2.1780 . 2 540 49 49 LYS HB3 H 2.1570 . 2 541 49 49 LYS HG2 H 1.4030 . 2 542 49 49 LYS HG3 H 1.3860 . 2 543 49 49 LYS HD2 H 1.7580 . 2 544 49 49 LYS HD3 H 1.6870 . 2 545 49 49 LYS HE2 H 3.0300 . 2 546 49 49 LYS HE3 H 3.0300 . 2 547 49 49 LYS C C 178.7000 . 1 548 49 49 LYS CA C 57.5000 . 1 549 49 49 LYS CB C 28.3000 . 1 550 49 49 LYS CG C 25.1000 . 1 551 49 49 LYS CD C 28.9000 . 1 552 49 49 LYS CE C 42.3000 . 1 553 49 49 LYS N N 113.3540 . 1 554 50 50 LEU H H 8.0160 . 1 555 50 50 LEU HA H 4.4230 . 1 556 50 50 LEU HB2 H 1.6730 . 2 557 50 50 LEU HB3 H 1.6160 . 2 558 50 50 LEU HG H 1.5780 . 1 559 50 50 LEU HD1 H 0.9390 . 2 560 50 50 LEU HD2 H 0.8810 . 2 561 50 50 LEU C C 180.0000 . 1 562 50 50 LEU CA C 55.3000 . 1 563 50 50 LEU CB C 42.5000 . 1 564 50 50 LEU CG C 27.0000 . 1 565 50 50 LEU CD1 C 25.6000 . 1 566 50 50 LEU CD2 C 22.6000 . 1 567 50 50 LEU N N 116.9440 . 1 568 51 51 LEU H H 7.1090 . 1 569 51 51 LEU HA H 4.9220 . 1 570 51 51 LEU HB2 H 1.5060 . 2 571 51 51 LEU HB3 H 1.4460 . 2 572 51 51 LEU HG H 1.4760 . 1 573 51 51 LEU HD1 H 0.9080 . 2 574 51 51 LEU HD2 H 0.8880 . 2 575 51 51 LEU C C 179.0000 . 1 576 51 51 LEU CA C 53.4000 . 1 577 51 51 LEU CB C 44.5000 . 1 578 51 51 LEU CG C 27.2000 . 1 579 51 51 LEU CD1 C 26.8000 . 1 580 51 51 LEU CD2 C 23.4000 . 1 581 51 51 LEU N N 117.7930 . 1 582 52 52 THR H H 9.4600 . 1 583 52 52 THR HA H 4.6230 . 1 584 52 52 THR HB H 4.7500 . 1 585 52 52 THR HG2 H 1.3880 . 1 586 52 52 THR CA C 60.7000 . 1 587 52 52 THR CB C 69.0000 . 1 588 52 52 THR CG2 C 21.7000 . 1 589 52 52 THR N N 115.6950 . 1 590 53 53 PRO HA H 4.2750 . 1 591 53 53 PRO HB2 H 2.4240 . 2 592 53 53 PRO HB3 H 2.9040 . 2 593 53 53 PRO HG2 H 2.2160 . 2 594 53 53 PRO HG3 H 2.0120 . 2 595 53 53 PRO HD2 H 3.9400 . 2 596 53 53 PRO HD3 H 3.9000 . 2 597 53 53 PRO C C 181.7000 . 1 598 53 53 PRO CA C 66.0000 . 1 599 53 53 PRO CB C 31.6000 . 1 600 53 53 PRO CG C 28.4000 . 1 601 53 53 PRO CD C 50.5000 . 1 602 54 54 GLN H H 8.2290 . 1 603 54 54 GLN HA H 4.1190 . 1 604 54 54 GLN HB2 H 2.1090 . 2 605 54 54 GLN HB3 H 2.0020 . 2 606 54 54 GLN HG2 H 2.5300 . 2 607 54 54 GLN HG3 H 2.4480 . 2 608 54 54 GLN C C 181.5000 . 1 609 54 54 GLN CA C 59.8000 . 1 610 54 54 GLN CB C 28.1000 . 1 611 54 54 GLN CG C 34.6000 . 1 612 54 54 GLN N N 116.8370 . 1 613 55 55 ASP H H 7.9570 . 1 614 55 55 ASP HA H 4.3530 . 1 615 55 55 ASP HB2 H 3.0670 . 2 616 55 55 ASP HB3 H 2.6250 . 2 617 55 55 ASP C C 181.1000 . 1 618 55 55 ASP CA C 57.9000 . 1 619 55 55 ASP CB C 41.7000 . 1 620 55 55 ASP N N 123.6210 . 1 621 56 56 MET H H 8.3140 . 1 622 56 56 MET HA H 4.3800 . 1 623 56 56 MET HB2 H 2.2120 . 2 624 56 56 MET HB3 H 2.0530 . 2 625 56 56 MET HG2 H 2.5520 . 2 626 56 56 MET HG3 H 2.3250 . 2 627 56 56 MET HE H 1.7810 . 1 628 56 56 MET C C 181.0000 . 1 629 56 56 MET CA C 57.1000 . 1 630 56 56 MET CB C 31.2000 . 1 631 56 56 MET CG C 32.5000 . 1 632 56 56 MET CE C 16.5000 . 1 633 56 56 MET N N 117.2630 . 1 634 57 57 GLU H H 8.0390 . 1 635 57 57 GLU HA H 4.0850 . 1 636 57 57 GLU HB2 H 2.2030 . 2 637 57 57 GLU HB3 H 2.2030 . 2 638 57 57 GLU HG2 H 2.4080 . 2 639 57 57 GLU HG3 H 2.4080 . 2 640 57 57 GLU C C 181.7000 . 1 641 57 57 GLU CA C 59.5000 . 1 642 57 57 GLU CB C 29.3000 . 1 643 57 57 GLU CG C 36.1000 . 1 644 57 57 GLU N N 120.5700 . 1 645 58 58 ALA H H 7.5710 . 1 646 58 58 ALA HA H 4.3610 . 1 647 58 58 ALA HB H 1.6920 . 1 648 58 58 ALA C C 182.8000 . 1 649 58 58 ALA CA C 55.1000 . 1 650 58 58 ALA CB C 18.5000 . 1 651 58 58 ALA N N 121.9150 . 1 652 59 59 ALA H H 8.7280 . 1 653 59 59 ALA HA H 4.1370 . 1 654 59 59 ALA HB H 1.7390 . 1 655 59 59 ALA C C 180.8000 . 1 656 59 59 ALA CA C 55.7000 . 1 657 59 59 ALA CB C 18.1000 . 1 658 59 59 ALA N N 120.7490 . 1 659 60 60 LYS H H 8.2920 . 1 660 60 60 LYS HA H 3.7000 . 1 661 60 60 LYS HB2 H 1.9230 . 2 662 60 60 LYS HB3 H 1.9230 . 2 663 60 60 LYS HG2 H 1.5680 . 2 664 60 60 LYS HG3 H 1.3030 . 2 665 60 60 LYS HD2 H 1.6350 . 2 666 60 60 LYS HD3 H 1.6350 . 2 667 60 60 LYS HE2 H 2.8040 . 2 668 60 60 LYS HE3 H 2.8550 . 2 669 60 60 LYS C C 181.3000 . 1 670 60 60 LYS CA C 60.2000 . 1 671 60 60 LYS CB C 32.6000 . 1 672 60 60 LYS CG C 25.8000 . 1 673 60 60 LYS CD C 29.8000 . 1 674 60 60 LYS CE C 42.0000 . 1 675 60 60 LYS N N 117.4150 . 1 676 61 61 GLN H H 7.4010 . 1 677 61 61 GLN HA H 4.1710 . 1 678 61 61 GLN HB2 H 2.2570 . 2 679 61 61 GLN HB3 H 2.2350 . 2 680 61 61 GLN HG2 H 2.4450 . 2 681 61 61 GLN HG3 H 2.3650 . 2 682 61 61 GLN C C 181.5000 . 1 683 61 61 GLN CA C 59.2000 . 1 684 61 61 GLN CB C 29.4000 . 1 685 61 61 GLN CG C 35.9000 . 1 686 61 61 GLN N N 118.4990 . 1 687 62 62 VAL H H 8.0360 . 1 688 62 62 VAL HA H 3.7460 . 1 689 62 62 VAL HB H 2.5070 . 1 690 62 62 VAL HG1 H 1.1970 . 2 691 62 62 VAL HG2 H 1.1630 . 2 692 62 62 VAL C C 179.4000 . 1 693 62 62 VAL CA C 66.8000 . 1 694 62 62 VAL CB C 31.9000 . 1 695 62 62 VAL CG1 C 23.0000 . 1 696 62 62 VAL CG2 C 23.9000 . 1 697 62 62 VAL N N 119.6850 . 1 698 63 63 TYR H H 8.8020 . 1 699 63 63 TYR HA H 3.7250 . 1 700 63 63 TYR HB2 H 2.7070 . 2 701 63 63 TYR HB3 H 1.8100 . 2 702 63 63 TYR HD1 H 5.6250 . 3 703 63 63 TYR HD2 H 5.6200 . 3 704 63 63 TYR HE1 H 6.2440 . 3 705 63 63 TYR HE2 H 6.2440 . 3 706 63 63 TYR C C 179.3000 . 1 707 63 63 TYR CA C 62.2000 . 1 708 63 63 TYR CB C 38.0000 . 1 709 63 63 TYR CD1 C 133.0000 . 2 710 63 63 TYR CD2 C 132.9000 . 2 711 63 63 TYR CE1 C 117.5000 . 2 712 63 63 TYR CE2 C 117.6000 . 2 713 63 63 TYR N N 123.7940 . 1 714 64 64 LYS H H 7.4520 . 1 715 64 64 LYS HA H 3.8640 . 1 716 64 64 LYS HB2 H 1.9090 . 2 717 64 64 LYS HB3 H 1.8040 . 2 718 64 64 LYS HG2 H 1.6850 . 2 719 64 64 LYS HG3 H 1.4040 . 2 720 64 64 LYS HD2 H 1.6940 . 2 721 64 64 LYS HD3 H 1.6940 . 2 722 64 64 LYS HE2 H 2.9200 . 2 723 64 64 LYS HE3 H 2.9200 . 2 724 64 64 LYS C C 181.7000 . 1 725 64 64 LYS CA C 59.8000 . 1 726 64 64 LYS CB C 32.2000 . 1 727 64 64 LYS CG C 25.3000 . 1 728 64 64 LYS CD C 29.5000 . 1 729 64 64 LYS CE C 42.1000 . 1 730 64 64 LYS N N 117.7720 . 1 731 65 65 ILE H H 7.6730 . 1 732 65 65 ILE HA H 3.7570 . 1 733 65 65 ILE HB H 2.0310 . 1 734 65 65 ILE HG12 H 1.8620 . 2 735 65 65 ILE HG13 H 1.1620 . 2 736 65 65 ILE HG2 H 0.9870 . 1 737 65 65 ILE HD1 H 0.8870 . 1 738 65 65 ILE C C 180.7000 . 1 739 65 65 ILE CA C 65.0000 . 1 740 65 65 ILE CB C 38.2000 . 1 741 65 65 ILE CG1 C 28.6000 . 1 742 65 65 ILE CG2 C 18.2000 . 1 743 65 65 ILE CD1 C 13.4000 . 1 744 65 65 ILE N N 119.9850 . 1 745 66 66 HIS H H 8.9430 . 1 746 66 66 HIS HA H 4.3430 . 1 747 66 66 HIS HB2 H 3.5020 . 2 748 66 66 HIS HB3 H 3.2680 . 2 749 66 66 HIS HD2 H 7.0190 . 1 750 66 66 HIS HE1 H 7.7720 . 1 751 66 66 HIS C C 179.4000 . 1 752 66 66 HIS CA C 57.5000 . 1 753 66 66 HIS CB C 32.8000 . 1 754 66 66 HIS CD2 C 115.4900 . 1 755 66 66 HIS CE1 C 138.4000 . 1 756 66 66 HIS N N 121.5060 . 1 757 67 67 GLN H H 8.5260 . 1 758 67 67 GLN HA H 3.7200 . 1 759 67 67 GLN HB2 H 1.8680 . 2 760 67 67 GLN HB3 H 1.7080 . 2 761 67 67 GLN HG2 H 1.9690 . 2 762 67 67 GLN HG3 H 1.8800 . 2 763 67 67 GLN C C 180.2000 . 1 764 67 67 GLN CA C 59.8000 . 1 765 67 67 GLN CB C 29.5000 . 1 766 67 67 GLN CG C 34.9000 . 1 767 67 67 GLN N N 117.4210 . 1 768 68 68 GLN H H 7.6730 . 1 769 68 68 GLN HA H 4.0170 . 1 770 68 68 GLN HB2 H 2.1790 . 2 771 68 68 GLN HB3 H 2.1270 . 2 772 68 68 GLN HG2 H 2.5660 . 2 773 68 68 GLN HG3 H 2.5110 . 2 774 68 68 GLN C C 181.1000 . 1 775 68 68 GLN CA C 59.2000 . 1 776 68 68 GLN CB C 28.4000 . 1 777 68 68 GLN CG C 34.0000 . 1 778 68 68 GLN N N 117.3850 . 1 779 69 69 LEU H H 8.2270 . 1 780 69 69 LEU HA H 4.1260 . 1 781 69 69 LEU HB2 H 2.1690 . 2 782 69 69 LEU HB3 H 1.7150 . 2 783 69 69 LEU HG H 1.9920 . 1 784 69 69 LEU HD1 H 0.9650 . 2 785 69 69 LEU HD2 H 0.9290 . 2 786 69 69 LEU C C 182.7000 . 1 787 69 69 LEU CA C 58.2000 . 1 788 69 69 LEU CB C 42.0000 . 1 789 69 69 LEU CG C 26.6000 . 1 790 69 69 LEU CD1 C 25.9000 . 1 791 69 69 LEU CD2 C 23.3000 . 1 792 69 69 LEU N N 120.6080 . 1 793 70 70 LEU H H 8.2730 . 1 794 70 70 LEU HA H 4.1080 . 1 795 70 70 LEU HB2 H 1.6220 . 2 796 70 70 LEU HB3 H 1.3010 . 2 797 70 70 LEU HG H 1.5800 . 1 798 70 70 LEU HD1 H 0.5760 . 2 799 70 70 LEU HD2 H 0.7760 . 2 800 70 70 LEU C C 181.9000 . 1 801 70 70 LEU CA C 57.7000 . 1 802 70 70 LEU CB C 41.9000 . 1 803 70 70 LEU CG C 27.1000 . 1 804 70 70 LEU CD1 C 25.1000 . 1 805 70 70 LEU CD2 C 23.2000 . 1 806 70 70 LEU N N 120.6070 . 1 807 71 71 PHE H H 8.4690 . 1 808 71 71 PHE HA H 4.3150 . 1 809 71 71 PHE HB2 H 3.1610 . 2 810 71 71 PHE HB3 H 3.2030 . 2 811 71 71 PHE HD1 H 7.1770 . 3 812 71 71 PHE HD2 H 7.1780 . 3 813 71 71 PHE HE1 H 7.2270 . 3 814 71 71 PHE HE2 H 7.2210 . 3 815 71 71 PHE HZ H 7.1690 . 1 816 71 71 PHE C C 180.1000 . 1 817 71 71 PHE CA C 60.2000 . 1 818 71 71 PHE CB C 39.0000 . 1 819 71 71 PHE CD1 C 131.3000 . 2 820 71 71 PHE CD2 C 131.3000 . 2 821 71 71 PHE CE1 C 131.3000 . 2 822 71 71 PHE CE2 C 131.3000 . 2 823 71 71 PHE CZ C 129.7000 . 1 824 71 71 PHE N N 119.9750 . 1 825 72 72 LYS H H 8.1430 . 1 826 72 72 LYS HA H 4.0120 . 1 827 72 72 LYS HB2 H 1.9820 . 2 828 72 72 LYS HB3 H 1.9370 . 2 829 72 72 LYS HG2 H 1.6380 . 2 830 72 72 LYS HG3 H 1.5020 . 2 831 72 72 LYS HD2 H 1.7180 . 2 832 72 72 LYS HD3 H 1.7180 . 2 833 72 72 LYS HE2 H 3.0020 . 2 834 72 72 LYS HE3 H 3.0020 . 2 835 72 72 LYS C C 180.4000 . 1 836 72 72 LYS CA C 58.8000 . 1 837 72 72 LYS CB C 32.3000 . 1 838 72 72 LYS CG C 25.4000 . 1 839 72 72 LYS CD C 29.4000 . 1 840 72 72 LYS CE C 42.1000 . 1 841 72 72 LYS N N 119.1480 . 1 842 73 73 ALA H H 7.8860 . 1 843 73 73 ALA HA H 4.2240 . 1 844 73 73 ALA HB H 1.5030 . 1 845 73 73 ALA C C 181.6000 . 1 846 73 73 ALA CA C 54.2000 . 1 847 73 73 ALA CB C 18.5000 . 1 848 73 73 ALA N N 121.4830 . 1 849 74 74 ARG H H 7.8490 . 1 850 74 74 ARG HA H 4.1890 . 1 851 74 74 ARG HB2 H 1.8770 . 2 852 74 74 ARG HB3 H 1.8390 . 2 853 74 74 ARG HG2 H 1.6620 . 2 854 74 74 ARG HG3 H 1.6620 . 2 855 74 74 ARG HD2 H 3.1410 . 2 856 74 74 ARG HD3 H 3.1000 . 2 857 74 74 ARG C C 179.9000 . 1 858 74 74 ARG CA C 57.6000 . 1 859 74 74 ARG CB C 30.1000 . 1 860 74 74 ARG CG C 27.2000 . 1 861 74 74 ARG CD C 43.2000 . 1 862 74 74 ARG N N 118.0730 . 1 863 75 75 LEU H H 7.8470 . 1 864 75 75 LEU HA H 4.1810 . 1 865 75 75 LEU HB2 H 1.6500 . 2 866 75 75 LEU HB3 H 1.5510 . 2 867 75 75 LEU HG H 1.5450 . 1 868 75 75 LEU HD1 H 0.8160 . 2 869 75 75 LEU HD2 H 0.7860 . 2 870 75 75 LEU C C 180.6000 . 1 871 75 75 LEU CA C 56.4000 . 1 872 75 75 LEU CB C 42.0000 . 1 873 75 75 LEU CG C 26.7000 . 1 874 75 75 LEU CD1 C 25.1000 . 1 875 75 75 LEU CD2 C 23.5000 . 1 876 75 75 LEU N N 120.5750 . 1 877 76 76 GLN H H 8.0080 . 1 878 76 76 GLN HA H 4.2200 . 1 879 76 76 GLN HB2 H 2.1220 . 2 880 76 76 GLN HB3 H 2.0690 . 2 881 76 76 GLN HG2 H 2.4080 . 2 882 76 76 GLN HG3 H 2.4080 . 2 883 76 76 GLN C C 179.1000 . 1 884 76 76 GLN CA C 56.9000 . 1 885 76 76 GLN CB C 29.0000 . 1 886 76 76 GLN CG C 34.0000 . 1 887 76 76 GLN N N 118.8900 . 1 888 77 77 GLN H H 8.0780 . 1 889 77 77 GLN HA H 4.2630 . 1 890 77 77 GLN HB2 H 2.1520 . 2 891 77 77 GLN HB3 H 2.0580 . 2 892 77 77 GLN HG2 H 2.4090 . 2 893 77 77 GLN HG3 H 2.4090 . 2 894 77 77 GLN C C 178.7000 . 1 895 77 77 GLN CA C 56.7000 . 1 896 77 77 GLN CB C 29.1000 . 1 897 77 77 GLN CG C 33.9000 . 1 898 77 77 GLN N N 119.8360 . 1 899 78 78 GLN H H 8.2260 . 1 900 78 78 GLN HA H 4.2880 . 1 901 78 78 GLN HB2 H 2.1410 . 2 902 78 78 GLN HB3 H 2.0380 . 2 903 78 78 GLN HG2 H 2.4040 . 2 904 78 78 GLN HG3 H 2.4040 . 2 905 78 78 GLN C C 178.4000 . 1 906 78 78 GLN CA C 56.4000 . 1 907 78 78 GLN CB C 29.3000 . 1 908 78 78 GLN CG C 33.9000 . 1 909 78 78 GLN N N 120.3410 . 1 910 79 79 GLN H H 8.2530 . 1 911 79 79 GLN HA H 4.3160 . 1 912 79 79 GLN HB2 H 2.1390 . 2 913 79 79 GLN HB3 H 2.0060 . 2 914 79 79 GLN HG2 H 2.3960 . 2 915 79 79 GLN HG3 H 2.3960 . 2 916 79 79 GLN C C 177.8000 . 1 917 79 79 GLN CA C 55.9000 . 1 918 79 79 GLN CB C 29.5000 . 1 919 79 79 GLN CG C 33.8000 . 1 920 79 79 GLN N N 120.7080 . 1 921 80 80 ALA H H 8.2370 . 1 922 80 80 ALA HA H 4.3360 . 1 923 80 80 ALA HB H 1.4110 . 1 924 80 80 ALA C C 179.0000 . 1 925 80 80 ALA CA C 52.8000 . 1 926 80 80 ALA CB C 19.3000 . 1 927 80 80 ALA N N 125.6980 . 1 928 81 81 GLN H H 7.9260 . 1 929 81 81 GLN HA H 4.1440 . 1 930 81 81 GLN HB2 H 2.1170 . 2 931 81 81 GLN HB3 H 1.9210 . 2 932 81 81 GLN HG2 H 2.3230 . 2 933 81 81 GLN HG3 H 2.3230 . 2 934 81 81 GLN CA C 57.4000 . 1 935 81 81 GLN CB C 30.6000 . 1 936 81 81 GLN N N 124.7330 . 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCA' '3D HNCO' '3D HNCACB' '3D C(CO)NH' '3D H(CCO)NH' '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $sample_3 $sample_5 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'domain 1 of Gal11/med15' _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 THR HA H 4.4180 . 1 2 2 2 THR HB H 4.2680 . 1 3 2 2 THR HG2 H 1.2180 . 1 4 2 2 THR C C 174.2000 . 1 5 2 2 THR CA C 62.1000 . 1 6 2 2 THR CB C 69.7000 . 1 7 2 2 THR CG2 C 21.7000 . 1 8 3 3 ASP H H 8.4200 . 1 9 3 3 ASP HA H 4.6440 . 1 10 3 3 ASP HB2 H 2.6890 . 2 11 3 3 ASP HB3 H 2.6330 . 2 12 3 3 ASP C C 176.1000 . 1 13 3 3 ASP CA C 54.5000 . 1 14 3 3 ASP CB C 41.3000 . 1 15 3 3 ASP N N 122.8750 . 1 16 4 4 SER H H 8.2540 . 1 17 4 4 SER HA H 4.4790 . 1 18 4 4 SER HB2 H 3.8610 . 2 19 4 4 SER C C 174.3000 . 1 20 4 4 SER CA C 58.3000 . 1 21 4 4 SER CB C 63.9000 . 1 22 4 4 SER N N 116.2580 . 1 23 5 5 THR H H 8.2110 . 1 24 5 5 THR CA C 60.3000 . 1 25 5 5 THR CB C 69.7000 . 1 26 5 5 THR N N 118.9230 . 1 27 6 6 PRO HA H 4.3470 . 1 28 6 6 PRO HB2 H 2.1880 . 2 29 6 6 PRO HB3 H 1.9400 . 2 30 6 6 PRO HG2 H 1.7380 . 2 31 6 6 PRO HG3 H 1.5210 . 2 32 6 6 PRO HD2 H 3.8270 . 2 33 6 6 PRO HD3 H 3.6380 . 2 34 6 6 PRO C C 176.5000 . 1 35 6 6 PRO CA C 63.2000 . 1 36 6 6 PRO CB C 32.1000 . 1 37 6 6 PRO CG C 27.5000 . 1 38 6 6 PRO CD C 51.1000 . 1 39 7 7 MET H H 8.3030 . 1 40 7 7 MET HA H 4.2790 . 1 41 7 7 MET HB2 H 1.8210 . 2 42 7 7 MET HB3 H 1.8210 . 2 43 7 7 MET HG2 H 2.3710 . 2 44 7 7 MET HG3 H 2.3410 . 2 45 7 7 MET C C 175.7000 . 1 46 7 7 MET CA C 55.7000 . 1 47 7 7 MET CB C 33.1000 . 1 48 7 7 MET CG C 31.9000 . 1 49 7 7 MET N N 120.4690 . 1 50 8 8 PHE H H 7.9930 . 1 51 8 8 PHE HA H 4.4860 . 1 52 8 8 PHE HB2 H 2.8680 . 2 53 8 8 PHE HB3 H 2.8100 . 2 54 8 8 PHE C C 175.1000 . 1 55 8 8 PHE CA C 57.5000 . 1 56 8 8 PHE CB C 39.7000 . 1 57 8 8 PHE N N 119.9560 . 1 58 9 9 GLU H H 8.1760 . 1 59 9 9 GLU HA H 4.2160 . 1 60 9 9 GLU HB2 H 1.9300 . 2 61 9 9 GLU HB3 H 1.7750 . 2 62 9 9 GLU HG2 H 2.0960 . 2 63 9 9 GLU HG3 H 2.0960 . 2 64 9 9 GLU C C 175.8000 . 1 65 9 9 GLU CA C 56.3000 . 1 66 9 9 GLU CB C 30.5000 . 1 67 9 9 GLU N N 121.8570 . 1 68 10 10 TYR H H 8.0420 . 1 69 10 10 TYR HA H 4.4480 . 1 70 10 10 TYR HB2 H 2.9650 . 2 71 10 10 TYR HB3 H 2.8650 . 2 72 10 10 TYR C C 175.8000 . 1 73 10 10 TYR CA C 58.2000 . 1 74 10 10 TYR CB C 36.2000 . 1 75 10 10 TYR N N 120.4260 . 1 76 11 11 GLU H H 8.3350 . 1 77 11 11 GLU HA H 4.1880 . 1 78 11 11 GLU HB2 H 1.9890 . 2 79 11 11 GLU HB3 H 1.8660 . 2 80 11 11 GLU HG2 H 2.1810 . 2 81 11 11 GLU HG3 H 2.1810 . 2 82 11 11 GLU C C 175.8000 . 1 83 11 11 GLU CA C 56.8000 . 1 84 11 11 GLU CB C 30.6000 . 1 85 11 11 GLU CG C 36.5000 . 1 86 11 11 GLU N N 121.6450 . 1 87 12 12 ASN H H 8.3450 . 1 88 12 12 ASN HA H 4.6730 . 1 89 12 12 ASN HB2 H 2.8360 . 2 90 12 12 ASN HB3 H 2.6620 . 2 91 12 12 ASN C C 175.1000 . 1 92 12 12 ASN CA C 53.2000 . 1 93 12 12 ASN CB C 39.0000 . 1 94 12 12 ASN N N 119.1450 . 1 95 13 13 LEU H H 8.1970 . 1 96 13 13 LEU HA H 4.1960 . 1 97 13 13 LEU HD1 H 0.7840 . 2 98 13 13 LEU HD2 H 0.7840 . 2 99 13 13 LEU C C 177.3000 . 1 100 13 13 LEU CA C 55.7000 . 1 101 13 13 LEU CB C 42.1000 . 1 102 13 13 LEU CG C 27.3000 . 1 103 13 13 LEU CD1 C 25.1000 . 1 104 13 13 LEU CD2 C 23.5000 . 1 105 13 13 LEU N N 122.9220 . 1 106 14 14 GLU H H 8.2880 . 1 107 14 14 GLU HA H 4.1810 . 1 108 14 14 GLU HB2 H 2.0240 . 2 109 14 14 GLU HB3 H 1.9120 . 2 110 14 14 GLU HG2 H 2.2170 . 2 111 14 14 GLU HG3 H 2.2170 . 2 112 14 14 GLU C C 176.4000 . 1 113 14 14 GLU CA C 56.9000 . 1 114 14 14 GLU CB C 30.2000 . 1 115 14 14 GLU CG C 36.3000 . 1 116 14 14 GLU N N 120.2810 . 1 117 15 15 ASP H H 8.1940 . 1 118 15 15 ASP HA H 4.5490 . 1 119 15 15 ASP HB2 H 2.6950 . 2 120 15 15 ASP HB3 H 2.6460 . 2 121 15 15 ASP C C 176.4000 . 1 122 15 15 ASP CA C 54.5000 . 1 123 15 15 ASP CB C 41.2000 . 1 124 15 15 ASP N N 120.9800 . 1 125 16 16 ASN H H 8.3950 . 1 126 16 16 ASN HA H 4.7340 . 1 127 16 16 ASN HB2 H 2.7960 . 2 128 16 16 ASN HB3 H 2.7650 . 2 129 16 16 ASN C C 175.8000 . 1 130 16 16 ASN CA C 53.5000 . 1 131 16 16 ASN CB C 38.8000 . 1 132 16 16 ASN N N 120.2960 . 1 133 17 17 SER H H 8.3180 . 1 134 17 17 SER HA H 4.2150 . 1 135 17 17 SER HB2 H 3.8770 . 2 136 17 17 SER C C 175.2000 . 1 137 17 17 SER CA C 59.6000 . 1 138 17 17 SER CB C 63.5000 . 1 139 17 17 SER N N 115.8160 . 1 140 18 18 LYS H H 8.1410 . 1 141 18 18 LYS HA H 4.2580 . 1 142 18 18 LYS HB2 H 1.7400 . 2 143 18 18 LYS HB3 H 1.7400 . 2 144 18 18 LYS HG2 H 1.3760 . 2 145 18 18 LYS HG3 H 1.3760 . 2 146 18 18 LYS HD2 H 1.5790 . 2 147 18 18 LYS HD3 H 1.5790 . 2 148 18 18 LYS HE2 H 2.9140 . 2 149 18 18 LYS HE3 H 2.9140 . 2 150 18 18 LYS C C 176.9000 . 1 151 18 18 LYS CA C 56.9000 . 1 152 18 18 LYS CB C 32.5000 . 1 153 18 18 LYS CG C 29.1000 . 1 154 18 18 LYS CD C 24.7000 . 1 155 18 18 LYS CE C 42.3000 . 1 156 18 18 LYS N N 122.2220 . 1 157 19 19 GLU H H 8.2510 . 1 158 19 19 GLU HA H 4.2230 . 1 159 19 19 GLU HB2 H 1.9750 . 2 160 19 19 GLU HB3 H 1.9130 . 2 161 19 19 GLU HG2 H 2.1950 . 2 162 19 19 GLU HG3 H 2.1950 . 2 163 19 19 GLU C C 177.1000 . 1 164 19 19 GLU CA C 57.0000 . 1 165 19 19 GLU CB C 29.9000 . 1 166 19 19 GLU CG C 36.3000 . 1 167 19 19 GLU N N 120.4520 . 1 168 20 20 TRP H H 8.1280 . 1 169 20 20 TRP HA H 4.5010 . 1 170 20 20 TRP HB2 H 3.3130 . 2 171 20 20 TRP HB3 H 3.2290 . 2 172 20 20 TRP C C 176.5000 . 1 173 20 20 TRP CA C 58.2000 . 1 174 20 20 TRP CB C 29.3000 . 1 175 20 20 TRP N N 121.6100 . 1 176 21 21 THR H H 7.6210 . 1 177 21 21 THR HA H 3.9200 . 1 178 21 21 THR HB H 4.0970 . 1 179 21 21 THR HG2 H 0.8610 . 1 180 21 21 THR C C 175.1000 . 1 181 21 21 THR CA C 63.1000 . 1 182 21 21 THR CB C 69.2000 . 1 183 21 21 THR CG2 C 21.5000 . 1 184 21 21 THR N N 112.5620 . 1 185 22 22 SER H H 7.9690 . 1 186 22 22 SER HA H 4.2970 . 1 187 22 22 SER HB2 H 3.8180 . 2 188 22 22 SER C C 174.9000 . 1 189 22 22 SER CA C 59.0000 . 1 190 22 22 SER CB C 63.8000 . 1 191 22 22 SER N N 117.0190 . 1 192 23 23 LEU H H 7.6110 . 1 193 23 23 LEU HA H 3.7910 . 1 194 23 23 LEU HG H 1.0090 . 1 195 23 23 LEU HD1 H 0.5510 . 2 196 23 23 LEU HD2 H 0.7880 . 2 197 23 23 LEU C C 176.6000 . 1 198 23 23 LEU CA C 56.3000 . 1 199 23 23 LEU CB C 41.9000 . 1 200 23 23 LEU CG C 26.2000 . 1 201 23 23 LEU CD1 C 24.9000 . 1 202 23 23 LEU CD2 C 24.3000 . 1 203 23 23 LEU N N 122.6880 . 1 204 24 24 PHE H H 7.4830 . 1 205 24 24 PHE HA H 4.4570 . 1 206 24 24 PHE HB2 H 2.9570 . 2 207 24 24 PHE HB3 H 2.4790 . 2 208 24 24 PHE C C 175.2000 . 1 209 24 24 PHE CA C 57.2000 . 1 210 24 24 PHE CB C 39.3000 . 1 211 24 24 PHE N N 115.1800 . 1 212 25 25 ASP H H 7.8280 . 1 213 25 25 ASP HA H 4.5240 . 1 214 25 25 ASP HB2 H 2.6690 . 2 215 25 25 ASP HB3 H 2.5640 . 2 216 25 25 ASP C C 175.9000 . 1 217 25 25 ASP CA C 54.5000 . 1 218 25 25 ASP CB C 41.3000 . 1 219 25 25 ASP N N 119.9060 . 1 220 26 26 ASN H H 8.2580 . 1 221 26 26 ASN HA H 4.6650 . 1 222 26 26 ASN HB2 H 2.7810 . 2 223 26 26 ASN HB3 H 2.7170 . 2 224 26 26 ASN C C 176.7000 . 1 225 26 26 ASN CA C 53.5000 . 1 226 26 26 ASN CB C 39.4000 . 1 227 26 26 ASN N N 118.6300 . 1 228 27 27 ASP H H 8.3400 . 1 229 27 27 ASP HA H 4.5730 . 1 230 27 27 ASP HB2 H 2.6530 . 2 231 27 27 ASP HB3 H 2.5600 . 2 232 27 27 ASP C C 175.6000 . 1 233 27 27 ASP CA C 54.4000 . 1 234 27 27 ASP CB C 41.2000 . 1 235 27 27 ASP N N 120.2940 . 1 236 28 28 ILE H H 7.9490 . 1 237 28 28 ILE CA C 58.6000 . 1 238 28 28 ILE CB C 38.5000 . 1 239 28 28 ILE N N 122.2850 . 1 240 29 29 PRO HA H 4.4140 . 1 241 29 29 PRO HB2 H 2.2060 . 2 242 29 29 PRO HB3 H 2.2060 . 2 243 29 29 PRO HG2 H 1.8000 . 2 244 29 29 PRO HG3 H 1.9360 . 2 245 29 29 PRO HD2 H 3.5930 . 2 246 29 29 PRO HD3 H 3.5390 . 2 247 29 29 PRO C C 176.5000 . 1 248 29 29 PRO CA C 63.1000 . 1 249 29 29 PRO CB C 32.1000 . 1 250 29 29 PRO CG C 27.3000 . 1 251 29 29 PRO CD C 51.0000 . 1 252 30 30 VAL H H 8.2210 . 1 253 30 30 VAL HA H 4.1780 . 1 254 30 30 VAL HB H 2.0480 . 1 255 30 30 VAL HG1 H 0.9290 . 2 256 30 30 VAL HG2 H 0.9290 . 2 257 30 30 VAL C C 176.4000 . 1 258 30 30 VAL CA C 62.3000 . 1 259 30 30 VAL CB C 32.9000 . 1 260 30 30 VAL CG1 C 20.7000 . 1 261 30 30 VAL CG2 C 21.3000 . 1 262 30 30 VAL N N 120.2200 . 1 263 31 31 THR H H 8.2210 . 1 264 31 31 THR HA H 4.4920 . 1 265 31 31 THR HB H 4.2360 . 1 266 31 31 THR HG2 H 1.1710 . 1 267 31 31 THR C C 174.4000 . 1 268 31 31 THR CA C 61.3000 . 1 269 31 31 THR CB C 70.1000 . 1 270 31 31 THR CG2 C 21.6000 . 1 271 31 31 THR N N 117.6810 . 1 272 32 32 THR H H 8.2060 . 1 273 32 32 THR HA H 4.4240 . 1 274 32 32 THR HB H 4.2860 . 1 275 32 32 THR HG2 H 1.1750 . 1 276 32 32 THR C C 174.1000 . 1 277 32 32 THR CA C 61.3000 . 1 278 32 32 THR CB C 69.9000 . 1 279 32 32 THR CG2 C 21.6000 . 1 280 32 32 THR N N 115.2620 . 1 281 33 33 ASP H H 8.3530 . 1 282 33 33 ASP HA H 4.6840 . 1 283 33 33 ASP HB2 H 2.7450 . 2 284 33 33 ASP HB3 H 2.5490 . 2 285 33 33 ASP C C 175.0000 . 1 286 33 33 ASP CA C 54.4000 . 1 287 33 33 ASP CB C 41.4000 . 1 288 33 33 ASP N N 122.8590 . 1 289 34 34 ASP H H 7.9190 . 1 290 34 34 ASP CA C 55.9000 . 1 291 34 34 ASP CB C 42.2000 . 1 292 34 34 ASP N N 125.9020 . 1 stop_ save_