data_16788 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of NusE:NusG-CTD complex ; _BMRB_accession_number 16788 _BMRB_flat_file_name bmr16788.str _Entry_type original _Submission_date 2010-03-25 _Accession_date 2010-03-25 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Burmann Bjoern M. . 2 Schweimer Kristian . . 3 Roesch Paul . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 746 "13C chemical shifts" 410 "15N chemical shifts" 120 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-02 original author . stop_ _Original_release_date 2011-05-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A NusE:NusG Complex Links Transcription and Translation' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20413501 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Burmann Bjoern M. . 2 Schweimer Kristian . . 3 Luo Xiao . . 4 Wahl Markus C. . 5 Stitt Barbara L. . 6 Gottesman Max E. . 7 Roesch Paul . . stop_ _Journal_abbreviation Science _Journal_volume 328 _Journal_issue 5977 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 501 _Page_last 504 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NusG:NusE _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NusE $NusE NusG $NusG-CTD 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_NusE _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NusE _Molecular_mass 8937.450 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 87 _Mol_residue_sequence ; GPLGSMQNQRIRIRLKAFDH RLIDQATAEIVETAKRTGAQ VRGPIPLPTRSRTHLRLVDI VEPTEKTVDALMRLDLAAGV DVQISLG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 PRO 3 -2 LEU 4 -1 GLY 5 0 SER 6 1 MET 7 2 GLN 8 3 ASN 9 4 GLN 10 5 ARG 11 6 ILE 12 7 ARG 13 8 ILE 14 9 ARG 15 10 LEU 16 11 LYS 17 12 ALA 18 13 PHE 19 14 ASP 20 15 HIS 21 16 ARG 22 17 LEU 23 18 ILE 24 19 ASP 25 20 GLN 26 21 ALA 27 22 THR 28 23 ALA 29 24 GLU 30 25 ILE 31 26 VAL 32 27 GLU 33 28 THR 34 29 ALA 35 30 LYS 36 31 ARG 37 32 THR 38 33 GLY 39 34 ALA 40 35 GLN 41 36 VAL 42 37 ARG 43 38 GLY 44 39 PRO 45 40 ILE 46 41 PRO 47 42 LEU 48 43 PRO 49 44 THR 50 45 ARG 51 46 SER 52 47 ARG 53 48 THR 54 49 HIS 55 50 LEU 56 51 ARG 57 52 LEU 58 53 VAL 59 54 ASP 60 55 ILE 61 56 VAL 62 57 GLU 63 58 PRO 64 59 THR 65 60 GLU 66 61 LYS 67 62 THR 68 63 VAL 69 64 ASP 70 65 ALA 71 66 LEU 72 67 MET 73 68 ARG 74 69 LEU 75 70 ASP 76 71 LEU 77 72 ALA 78 73 ALA 79 74 GLY 80 75 VAL 81 76 ASP 82 77 VAL 83 78 GLN 84 79 ILE 85 80 SER 86 81 LEU 87 82 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-26 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 2KVQ "Solution Structure Of Nuse:nusg-Ctd Complex" 100.00 87 100.00 100.00 3.35e-53 PDB 3D3B "Structural And Functional Analysis Of The E. Coli Nusb-s10 Transcription Antitermination Complex." 100.00 87 100.00 100.00 3.35e-53 PDB 3D3C "Structural And Functional Analysis Of The E. Coli Nusb-S10 Transcription Antitermination Complex" 100.00 87 98.85 98.85 3.16e-52 PDB 3IMQ "Crystal Structure Of The Nusb101-S10(Delta Loop) Complex" 100.00 87 100.00 100.00 3.35e-53 EMBL CDK48609 "SSU ribosomal protein S10p (S20e) [Escherichia coli IS1]" 51.72 74 100.00 100.00 4.03e-22 EMBL CDK60294 "SSU ribosomal protein S10p (S20e) [Escherichia coli IS9]" 51.72 74 100.00 100.00 4.03e-22 EMBL CDL02401 "SSU ribosomal protein S10p (S20e) [Escherichia coli IS35]" 51.72 74 100.00 100.00 4.03e-22 EMBL CDL28926 "SSU ribosomal protein S10p (S20e) [Escherichia coli ISC7]" 51.72 74 100.00 100.00 4.03e-22 EMBL CDL47417 "SSU ribosomal protein S10p (S20e) [Escherichia coli ISC41]" 51.72 74 100.00 100.00 4.03e-22 GB ESD90132 "ribosomal protein S10p/S20e, partial [Escherichia coli 908585]" 52.87 49 97.83 97.83 3.51e-22 stop_ save_ save_NusG-CTD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NusG-CTD _Molecular_mass 6639.524 _Mol_thiol_state 'not present' _Details . _Residue_count 63 _Mol_residue_sequence ; GAMGRPKTLFEPGEMVRVND GPFADFNGVVEEVDYEKSRL KVSVSIFGRATPVELDFSQV EKA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 119 GLY 2 120 ALA 3 121 MET 4 122 GLY 5 123 ARG 6 124 PRO 7 125 LYS 8 126 THR 9 127 LEU 10 128 PHE 11 129 GLU 12 130 PRO 13 131 GLY 14 132 GLU 15 133 MET 16 134 VAL 17 135 ARG 18 136 VAL 19 137 ASN 20 138 ASP 21 139 GLY 22 140 PRO 23 141 PHE 24 142 ALA 25 143 ASP 26 144 PHE 27 145 ASN 28 146 GLY 29 147 VAL 30 148 VAL 31 149 GLU 32 150 GLU 33 151 VAL 34 152 ASP 35 153 TYR 36 154 GLU 37 155 LYS 38 156 SER 39 157 ARG 40 158 LEU 41 159 LYS 42 160 VAL 43 161 SER 44 162 VAL 45 163 SER 46 164 ILE 47 165 PHE 48 166 GLY 49 167 ARG 50 168 ALA 51 169 THR 52 170 PRO 53 171 VAL 54 172 GLU 55 173 LEU 56 174 ASP 57 175 PHE 58 176 SER 59 177 GLN 60 178 VAL 61 179 GLU 62 180 LYS 63 181 ALA 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 BMRB 15490 NusG 93.65 181 100.00 100.00 7.29e-32 PDB 2JVV "Solution Structure Of E. Coli Nusg Carboxyterminal Domain" 93.65 181 100.00 100.00 7.29e-32 PDB 2KVQ "Solution Structure Of Nuse:nusg-Ctd Complex" 100.00 63 100.00 100.00 3.47e-36 DBJ BAB38328 "component in transcription antitermination [Escherichia coli O157:H7 str. Sakai]" 93.65 181 100.00 100.00 7.29e-32 DBJ BAE77338 "transcription termination factor [Escherichia coli str. K-12 substr. W3110]" 93.65 181 100.00 100.00 7.29e-32 DBJ BAG79793 "transcription antitermination protein [Escherichia coli SE11]" 93.65 181 100.00 100.00 7.29e-32 DBJ BAH61119 "transcription antitermination protein [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" 93.65 181 100.00 100.00 6.41e-32 DBJ BAI28242 "transcription termination factor NusG [Escherichia coli O26:H11 str. 11368]" 93.65 181 100.00 100.00 7.29e-32 EMBL CAD09492 "transcription antitermination protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 93.65 181 100.00 100.00 6.41e-32 EMBL CAP78438 "Transcription antitermination protein nusG [Escherichia coli LF82]" 93.65 181 100.00 100.00 6.41e-32 EMBL CAQ34328 "transcription termination factor NusG [Escherichia coli BL21(DE3)]" 93.65 181 100.00 100.00 7.29e-32 EMBL CAQ91223 "transcription termination factor [Escherichia fergusonii ATCC 35469]" 93.65 181 100.00 100.00 7.29e-32 EMBL CAR00955 "transcription termination factor [Escherichia coli IAI1]" 93.65 181 100.00 100.00 7.29e-32 GB AAA24622 "NusG protein [Escherichia coli]" 93.65 181 100.00 100.00 7.29e-32 GB AAC43080 "ORF_o181 [Escherichia coli str. K-12 substr. MG1655]" 93.65 181 100.00 100.00 7.29e-32 GB AAC76956 "transcription termination factor [Escherichia coli str. K-12 substr. MG1655]" 93.65 181 100.00 100.00 7.29e-32 GB AAF33495 "99% identity over 181 amino acids with E. coli transcription antitermination factor (NUSG) (SW:P16921) [Salmonella enterica sub" 93.65 181 100.00 100.00 6.41e-32 GB AAG59178 "component in transcription antitermination [Escherichia coli O157:H7 str. EDL933]" 93.65 181 100.00 100.00 7.29e-32 PIR AB0934 "transcription antitermination protein STY3737 [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 93.65 181 100.00 100.00 6.41e-32 REF NP_290613 "transcription antitermination protein NusG [Escherichia coli O157:H7 str. EDL933]" 93.65 181 100.00 100.00 7.29e-32 REF NP_312932 "transcription antitermination protein NusG [Escherichia coli O157:H7 str. Sakai]" 93.65 181 100.00 100.00 7.29e-32 REF NP_418409 "transcription termination factor [Escherichia coli str. K-12 substr. MG1655]" 93.65 181 100.00 100.00 7.29e-32 REF NP_457922 "transcription antitermination protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 93.65 181 100.00 100.00 6.41e-32 REF NP_463017 "transcription termination/antitermination protein NusG [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 93.65 181 100.00 100.00 6.41e-32 SP P0AA01 "RecName: Full=Transcription termination/antitermination protein NusG [Escherichia coli CFT073]" 93.65 181 100.00 100.00 6.41e-32 SP P0AA02 "RecName: Full=Transcription termination/antitermination protein NusG [Salmonella enterica subsp. enterica serovar Typhimurium s" 93.65 181 100.00 100.00 6.41e-32 SP P0AA03 "RecName: Full=Transcription termination/antitermination protein NusG [Salmonella enterica subsp. enterica serovar Typhi]" 93.65 181 100.00 100.00 6.41e-32 SP P0AFG0 "RecName: Full=Transcription termination/antitermination protein NusG [Escherichia coli K-12]" 93.65 181 100.00 100.00 7.29e-32 SP P0AFG1 "RecName: Full=Transcription termination/antitermination protein NusG [Escherichia coli O157:H7]" 93.65 181 100.00 100.00 7.29e-32 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $NusE 'E. coli' 562 Eubacteria . Escherichia coli K12 $NusG-CTD 'E. coli' 562 Eubacteria . Escherichia coli K12 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 $NusE 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pGEX-6P $NusG-CTD 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pETGB1A stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_13C_-NusG-CTD_NusE_NusB _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NusG-CTD 300 uM '[U-100% 13C; U-100% 15N]' $NusE 300 uM 'natural abundance' NusB 300 uM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'Sodium Chloride' 50 mM 'natural abundance' HEPES 25 mM 'natural abundance' stop_ save_ save_15N_13C_2H-NusE_NusB_NusG-CTD _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NusE 300 uM '[U-100% 13C; U-100% 15N; U-80% 2H]' $NusG-CTD 300 uM 'natural abundance' NusB 300 uM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'Sodium Chloride' 50 mM 'natural abundance' HEPES 25 mM 'natural abundance' stop_ save_ save_NusG-CTD_15N_13C_NusE_NusB _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NusG-CTD 0.3 mM 'natural abundance' $NusE 0.3 mM '[U-100% 13C; U-100% 15N]' NusB 0.3 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'Sodium Chloride' 50 mM 'natural abundance' HEPES 25 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_13C_-NusG-CTD_NusE_NusB save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $15N_13C_-NusG-CTD_NusE_NusB save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N_13C_-NusG-CTD_NusE_NusB save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $15N_13C_-NusG-CTD_NusE_NusB save_ save_3D_13C_filtered(F1)-13C_edited_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C filtered(F1)-13C edited NOESY' _Sample_label $15N_13C_-NusG-CTD_NusE_NusB save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $NusG-CTD_15N_13C_NusE_NusB save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $NusG-CTD_15N_13C_NusE_NusB save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $NusG-CTD_15N_13C_NusE_NusB save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $NusG-CTD_15N_13C_NusE_NusB save_ save_3D_13C_filtered(F1)-133D_13C_filtered(F1)-13C_edited_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C filtered(F1)-133D 13C filtered(F1)-13C edited NOESY' _Sample_label $NusG-CTD_15N_13C_NusE_NusB save_ save_3D_HNCA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $15N_13C_2H-NusE_NusB_NusG-CTD save_ save_3D_HNCACB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $15N_13C_2H-NusE_NusB_NusG-CTD save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $NusG-CTD_15N_13C_NusE_NusB save_ save_3D_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $15N_13C_-NusG-CTD_NusE_NusB save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'Measurements were performed in the presence of NusB, which is not participating in the NusE:NusG interaction, to assure correct folding of NusE.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 75 . mM pH 7.5 . pH temperature 310 . 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 '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D 1H-13C NOESY' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $15N_13C_-NusG-CTD_NusE_NusB $NusG-CTD_15N_13C_NusE_NusB stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name NusE _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 4 9 GLN H H 8.12 0.02 1 2 4 9 GLN HA H 4.51 0.02 1 3 4 9 GLN HB2 H 2.01 0.02 2 4 4 9 GLN HB3 H 2.08 0.02 2 5 4 9 GLN HG2 H 2.55 0.02 2 6 4 9 GLN HG3 H 2.60 0.02 2 7 4 9 GLN CA C 55.81 0.2 1 8 4 9 GLN CB C 32.65 0.2 1 9 4 9 GLN CG C 32.27 0.2 1 10 4 9 GLN N N 119.48 0.1 1 11 5 10 ARG H H 8.26 0.02 1 12 5 10 ARG HA H 4.91 0.02 1 13 5 10 ARG HB2 H 1.72 0.02 2 14 5 10 ARG HB3 H 1.72 0.02 2 15 5 10 ARG HD2 H 2.99 0.02 2 16 5 10 ARG HD3 H 2.99 0.02 2 17 5 10 ARG HG2 H 1.44 0.02 2 18 5 10 ARG HG3 H 1.44 0.02 2 19 5 10 ARG CA C 55.81 0.2 1 20 5 10 ARG CB C 33.43 0.2 1 21 5 10 ARG CD C 43.67 0.2 1 22 5 10 ARG CG C 27.01 0.2 1 23 5 10 ARG N N 120.83 0.1 1 24 6 11 ILE H H 8.89 0.02 1 25 6 11 ILE HA H 4.39 0.02 1 26 6 11 ILE HB H 1.87 0.02 1 27 6 11 ILE HD1 H 0.88 0.02 1 28 6 11 ILE HG12 H 1.20 0.02 2 29 6 11 ILE HG13 H 1.49 0.02 2 30 6 11 ILE HG2 H 0.88 0.02 1 31 6 11 ILE CA C 60.97 0.2 1 32 6 11 ILE CB C 38.91 0.2 1 33 6 11 ILE CD1 C 13.13 0.2 1 34 6 11 ILE CG1 C 27.44 0.2 1 35 6 11 ILE CG2 C 17.55 0.2 1 36 6 11 ILE N N 123.46 0.1 1 37 7 12 ARG H H 8.95 0.02 1 38 7 12 ARG HA H 5.22 0.02 1 39 7 12 ARG HB2 H 1.82 0.02 2 40 7 12 ARG HB3 H 1.82 0.02 2 41 7 12 ARG HD2 H 3.09 0.02 2 42 7 12 ARG HD3 H 3.09 0.02 2 43 7 12 ARG HG2 H 1.59 0.02 2 44 7 12 ARG HG3 H 1.65 0.02 2 45 7 12 ARG CA C 55.69 0.2 1 46 7 12 ARG CB C 31.35 0.2 1 47 7 12 ARG CD C 43.32 0.2 1 48 7 12 ARG CG C 27.22 0.2 1 49 7 12 ARG N N 128.29 0.1 1 50 8 13 ILE H H 9.34 0.02 1 51 8 13 ILE HA H 4.72 0.02 1 52 8 13 ILE HB H 1.90 0.02 1 53 8 13 ILE HD1 H 0.98 0.02 1 54 8 13 ILE HG12 H 1.00 0.02 2 55 8 13 ILE HG13 H 1.00 0.02 2 56 8 13 ILE HG2 H 0.80 0.02 1 57 8 13 ILE CA C 59.56 0.2 1 58 8 13 ILE CB C 40.06 0.2 1 59 8 13 ILE CD1 C 14.64 0.2 1 60 8 13 ILE CG1 C 26.86 0.2 1 61 8 13 ILE CG2 C 18.40 0.2 1 62 8 13 ILE N N 126.97 0.1 1 63 9 14 ARG H H 8.85 0.02 1 64 9 14 ARG HA H 5.18 0.02 1 65 9 14 ARG HB2 H 1.64 0.02 2 66 9 14 ARG HB3 H 1.81 0.02 2 67 9 14 ARG HD2 H 3.06 0.02 2 68 9 14 ARG HD3 H 3.11 0.02 2 69 9 14 ARG HG2 H 1.41 0.02 2 70 9 14 ARG HG3 H 1.41 0.02 2 71 9 14 ARG CA C 54.63 0.2 1 72 9 14 ARG CB C 32.98 0.2 1 73 9 14 ARG CD C 43.48 0.2 1 74 9 14 ARG CG C 27.26 0.2 1 75 9 14 ARG N N 128.01 0.1 1 76 10 15 LEU H H 9.03 0.02 1 77 10 15 LEU HA H 5.48 0.02 1 78 10 15 LEU HB2 H 1.60 0.02 2 79 10 15 LEU HB3 H 1.73 0.02 2 80 10 15 LEU HD1 H 0.79 0.02 2 81 10 15 LEU HD2 H 0.64 0.02 2 82 10 15 LEU HG H 1.56 0.02 1 83 10 15 LEU CA C 54.13 0.2 1 84 10 15 LEU CB C 45.67 0.2 1 85 10 15 LEU CD1 C 26.29 0.2 2 86 10 15 LEU CD2 C 25.46 0.2 2 87 10 15 LEU CG C 27.47 0.2 1 88 10 15 LEU N N 125.57 0.1 1 89 11 16 LYS H H 8.62 0.02 1 90 11 16 LYS HA H 5.63 0.02 1 91 11 16 LYS HB2 H 1.65 0.02 2 92 11 16 LYS HB3 H 1.65 0.02 2 93 11 16 LYS HD2 H 1.55 0.02 2 94 11 16 LYS HD3 H 1.55 0.02 2 95 11 16 LYS HE2 H 2.85 0.02 2 96 11 16 LYS HE3 H 2.85 0.02 2 97 11 16 LYS HG2 H 1.27 0.02 2 98 11 16 LYS CA C 53.87 0.2 1 99 11 16 LYS CB C 37.03 0.2 1 100 11 16 LYS CD C 29.69 0.2 1 101 11 16 LYS CE C 41.63 0.2 1 102 11 16 LYS N N 121.39 0.1 1 103 12 17 ALA H H 8.59 0.02 1 104 12 17 ALA HA H 4.79 0.02 1 105 12 17 ALA HB H 1.60 0.02 1 106 12 17 ALA CA C 51.63 0.2 1 107 12 17 ALA CB C 24.46 0.2 1 108 12 17 ALA N N 122.50 0.1 1 109 13 18 PHE H H 9.01 0.02 1 110 13 18 PHE HA H 5.39 0.02 1 111 13 18 PHE HB2 H 3.05 0.02 2 112 13 18 PHE HB3 H 3.58 0.02 2 113 13 18 PHE CA C 58.32 0.2 1 114 13 18 PHE CB C 39.36 0.2 1 115 13 18 PHE N N 118.11 0.1 1 116 14 19 ASP H H 7.41 0.02 1 117 14 19 ASP HA H 4.78 0.02 1 118 14 19 ASP HB2 H 2.79 0.02 2 119 14 19 ASP HB3 H 2.86 0.02 2 120 14 19 ASP CA C 53.34 0.2 1 121 14 19 ASP CB C 39.05 0.2 1 122 14 19 ASP N N 119.20 0.1 1 123 15 20 HIS H H 8.40 0.02 1 124 15 20 HIS HA H 3.80 0.02 1 125 15 20 HIS HB2 H 2.77 0.02 2 126 15 20 HIS HB3 H 2.77 0.02 2 127 15 20 HIS CA C 57.40 0.2 1 128 15 20 HIS CB C 29.29 0.2 1 129 15 20 HIS N N 125.36 0.1 1 130 16 21 ARG H H 7.51 0.02 1 131 16 21 ARG HA H 3.99 0.02 1 132 16 21 ARG HB2 H 1.72 0.02 2 133 16 21 ARG HB3 H 1.72 0.02 2 134 16 21 ARG HD2 H 3.12 0.02 2 135 16 21 ARG HD3 H 3.12 0.02 2 136 16 21 ARG HG2 H 1.21 0.02 2 137 16 21 ARG HG3 H 1.35 0.02 2 138 16 21 ARG CA C 58.68 0.2 1 139 16 21 ARG CB C 28.98 0.2 1 140 16 21 ARG CD C 42.99 0.2 1 141 16 21 ARG CG C 27.25 0.2 1 142 16 21 ARG N N 122.14 0.1 1 143 17 22 LEU H H 7.45 0.02 1 144 17 22 LEU HA H 4.05 0.02 1 145 17 22 LEU HB2 H 1.46 0.02 2 146 17 22 LEU HB3 H 1.59 0.02 2 147 17 22 LEU HD1 H 0.93 0.02 2 148 17 22 LEU HD2 H 0.86 0.02 2 149 17 22 LEU HG H 1.71 0.02 1 150 17 22 LEU CA C 56.97 0.2 1 151 17 22 LEU CB C 42.34 0.2 1 152 17 22 LEU CD1 C 24.25 0.2 2 153 17 22 LEU CD2 C 24.25 0.2 2 154 17 22 LEU CG C 26.89 0.2 1 155 17 22 LEU N N 119.31 0.1 1 156 18 23 ILE H H 7.74 0.02 1 157 18 23 ILE HA H 3.91 0.02 1 158 18 23 ILE HB H 1.74 0.02 1 159 18 23 ILE HD1 H 0.73 0.02 1 160 18 23 ILE HG12 H 1.22 0.02 2 161 18 23 ILE HG13 H 1.31 0.02 2 162 18 23 ILE HG2 H 1.08 0.02 1 163 18 23 ILE CA C 65.44 0.2 1 164 18 23 ILE CB C 37.43 0.2 1 165 18 23 ILE CD1 C 15.16 0.2 1 166 18 23 ILE CG1 C 31.50 0.2 1 167 18 23 ILE CG2 C 16.45 0.2 1 168 18 23 ILE N N 118.05 0.1 1 169 19 24 ASP H H 8.10 0.02 1 170 19 24 ASP HA H 4.75 0.02 1 171 19 24 ASP HB2 H 2.77 0.02 2 172 19 24 ASP HB3 H 2.94 0.02 2 173 19 24 ASP CA C 58.26 0.2 1 174 19 24 ASP CB C 39.45 0.2 1 175 19 24 ASP N N 127.37 0.1 1 176 20 25 GLN H H 7.83 0.02 1 177 20 25 GLN HA H 4.15 0.02 1 178 20 25 GLN HB2 H 2.19 0.02 2 179 20 25 GLN HB3 H 2.19 0.02 2 180 20 25 GLN HG2 H 2.38 0.02 2 181 20 25 GLN HG3 H 2.49 0.02 2 182 20 25 GLN CA C 59.16 0.2 1 183 20 25 GLN CB C 28.16 0.2 1 184 20 25 GLN CG C 33.65 0.2 1 185 20 25 GLN N N 123.10 0.1 1 186 21 26 ALA H H 8.22 0.02 1 187 21 26 ALA HA H 4.17 0.02 1 188 21 26 ALA HB H 1.49 0.02 1 189 21 26 ALA CA C 54.96 0.2 1 190 21 26 ALA CB C 19.38 0.2 1 191 21 26 ALA N N 121.68 0.1 1 192 22 27 THR H H 8.02 0.02 1 193 22 27 THR HA H 3.46 0.02 1 194 22 27 THR HB H 3.92 0.02 1 195 22 27 THR HG2 H 1.13 0.02 1 196 22 27 THR CA C 68.41 0.2 1 197 22 27 THR CB C 68.52 0.2 1 198 22 27 THR N N 113.89 0.1 1 199 23 28 ALA H H 7.86 0.02 1 200 23 28 ALA HA H 3.85 0.02 1 201 23 28 ALA HB H 1.53 0.02 1 202 23 28 ALA CA C 55.97 0.2 1 203 23 28 ALA CB C 18.00 0.2 1 204 23 28 ALA N N 123.21 0.1 1 205 24 29 GLU H H 8.11 0.02 1 206 24 29 GLU HA H 4.14 0.02 1 207 24 29 GLU HB2 H 2.05 0.02 2 208 24 29 GLU HB3 H 2.23 0.02 2 209 24 29 GLU HG2 H 2.25 0.02 2 210 24 29 GLU HG3 H 2.45 0.02 2 211 24 29 GLU CA C 59.75 0.2 1 212 24 29 GLU CB C 29.47 0.2 1 213 24 29 GLU CG C 36.72 0.2 1 214 24 29 GLU N N 118.51 0.1 1 215 25 30 ILE H H 8.18 0.02 1 216 25 30 ILE HA H 3.44 0.02 1 217 25 30 ILE HB H 2.15 0.02 1 218 25 30 ILE HD1 H 0.68 0.02 1 219 25 30 ILE HG12 H 0.94 0.02 2 220 25 30 ILE HG13 H 1.75 0.02 2 221 25 30 ILE HG2 H 0.88 0.02 1 222 25 30 ILE CA C 66.63 0.2 1 223 25 30 ILE CB C 37.73 0.2 1 224 25 30 ILE CD1 C 14.64 0.2 1 225 25 30 ILE CG1 C 30.49 0.2 1 226 25 30 ILE CG2 C 17.54 0.2 1 227 25 30 ILE N N 122.30 0.1 1 228 26 31 VAL H H 8.27 0.02 1 229 26 31 VAL HA H 3.38 0.02 1 230 26 31 VAL HB H 2.29 0.02 1 231 26 31 VAL HG1 H 0.98 0.02 2 232 26 31 VAL HG2 H 0.91 0.02 2 233 26 31 VAL CA C 67.23 0.2 1 234 26 31 VAL CB C 31.78 0.2 1 235 26 31 VAL CG1 C 21.78 0.2 2 236 26 31 VAL CG2 C 22.73 0.2 2 237 26 31 VAL N N 119.72 0.1 1 238 27 32 GLU H H 8.66 0.02 1 239 27 32 GLU HA H 4.02 0.02 1 240 27 32 GLU HB2 H 2.09 0.02 2 241 27 32 GLU HB3 H 2.09 0.02 2 242 27 32 GLU HG2 H 2.37 0.02 2 243 27 32 GLU HG3 H 2.37 0.02 2 244 27 32 GLU CA C 59.21 0.2 1 245 27 32 GLU CB C 29.70 0.2 1 246 27 32 GLU CG C 36.18 0.2 1 247 27 32 GLU N N 118.65 0.1 1 248 28 33 THR H H 8.01 0.02 1 249 28 33 THR HA H 3.83 0.02 1 250 28 33 THR HB H 4.31 0.02 1 251 28 33 THR HG2 H 1.14 0.02 1 252 28 33 THR CA C 67.50 0.2 1 253 28 33 THR CB C 67.96 0.2 1 254 28 33 THR N N 116.17 0.1 1 255 29 34 ALA H H 8.44 0.02 1 256 29 34 ALA HA H 3.82 0.02 1 257 29 34 ALA HB H 1.37 0.02 1 258 29 34 ALA CA C 56.05 0.2 1 259 29 34 ALA CB C 18.35 0.2 1 260 29 34 ALA N N 123.69 0.1 1 261 30 35 LYS H H 8.38 0.02 1 262 30 35 LYS HA H 4.17 0.02 1 263 30 35 LYS HB2 H 1.86 0.02 2 264 30 35 LYS HB3 H 1.86 0.02 2 265 30 35 LYS HE2 H 3.08 0.02 2 266 30 35 LYS HE3 H 3.08 0.02 2 267 30 35 LYS HG2 H 1.57 0.02 2 268 30 35 LYS HG3 H 1.76 0.02 2 269 30 35 LYS CA C 59.75 0.2 1 270 30 35 LYS CB C 32.09 0.2 1 271 30 35 LYS CE C 41.62 0.2 1 272 30 35 LYS CG C 25.44 0.2 1 273 30 35 LYS N N 117.12 0.1 1 274 31 36 ARG H H 8.52 0.02 1 275 31 36 ARG HA H 4.30 0.02 1 276 31 36 ARG HB2 H 1.95 0.02 2 277 31 36 ARG HB3 H 2.09 0.02 2 278 31 36 ARG HD2 H 3.25 0.02 2 279 31 36 ARG HD3 H 3.25 0.02 2 280 31 36 ARG HG2 H 1.83 0.02 2 281 31 36 ARG HG3 H 1.83 0.02 2 282 31 36 ARG CA C 58.75 0.2 1 283 31 36 ARG CB C 30.27 0.2 1 284 31 36 ARG CD C 43.60 0.2 1 285 31 36 ARG CG C 27.57 0.2 1 286 31 36 ARG N N 119.27 0.1 1 287 32 37 THR H H 7.37 0.02 1 288 32 37 THR HA H 4.49 0.02 1 289 32 37 THR HB H 4.30 0.02 1 290 32 37 THR HG2 H 1.30 0.02 1 291 32 37 THR CA C 61.53 0.2 1 292 32 37 THR CB C 69.63 0.2 1 293 32 37 THR N N 105.14 0.1 1 294 33 38 GLY H H 7.70 0.02 1 295 33 38 GLY HA2 H 3.85 0.02 2 296 33 38 GLY HA3 H 4.31 0.02 2 297 33 38 GLY CA C 46.03 0.2 1 298 33 38 GLY N N 109.05 0.1 1 299 34 39 ALA H H 7.78 0.02 1 300 34 39 ALA HA H 4.72 0.02 1 301 34 39 ALA HB H 1.40 0.02 1 302 34 39 ALA CA C 50.39 0.2 1 303 34 39 ALA CB C 21.42 0.2 1 304 34 39 ALA N N 122.57 0.1 1 305 35 40 GLN H H 8.19 0.02 1 306 35 40 GLN HA H 4.63 0.02 1 307 35 40 GLN HB3 H 2.13 0.02 2 308 35 40 GLN HG3 H 2.38 0.02 2 309 35 40 GLN CA C 54.26 0.2 1 310 35 40 GLN CB C 31.77 0.2 1 311 35 40 GLN CG C 33.82 0.2 1 312 35 40 GLN N N 116.51 0.1 1 313 36 41 VAL H H 8.80 0.02 1 314 36 41 VAL HA H 5.16 0.02 1 315 36 41 VAL HB H 1.91 0.02 1 316 36 41 VAL HG1 H 0.90 0.02 2 317 36 41 VAL HG2 H 0.90 0.02 2 318 36 41 VAL CA C 59.85 0.2 1 319 36 41 VAL CB C 35.08 0.2 1 320 36 41 VAL CG1 C 21.54 0.2 2 321 36 41 VAL N N 117.27 0.1 1 322 37 42 ARG H H 8.92 0.02 1 323 37 42 ARG HA H 5.20 0.02 1 324 37 42 ARG HB2 H 1.88 0.02 2 325 37 42 ARG HB3 H 1.88 0.02 2 326 37 42 ARG HD2 H 3.01 0.02 2 327 37 42 ARG HD3 H 3.01 0.02 2 328 37 42 ARG HG2 H 1.46 0.02 2 329 37 42 ARG HG3 H 1.46 0.02 2 330 37 42 ARG CA C 54.67 0.2 1 331 37 42 ARG CB C 31.59 0.2 1 332 37 42 ARG CD C 43.70 0.2 1 333 37 42 ARG CG C 26.64 0.2 1 334 37 42 ARG N N 124.53 0.1 1 335 38 43 GLY H H 8.62 0.02 1 336 38 43 GLY HA2 H 3.57 0.02 2 337 38 43 GLY HA3 H 3.57 0.02 2 338 38 43 GLY CA C 44.27 0.2 1 339 38 43 GLY N N 112.02 0.1 1 340 39 44 PRO HA H 5.33 0.02 1 341 39 44 PRO CA C 61.66 0.2 1 342 40 45 ILE H H 9.31 0.02 1 343 40 45 ILE HA H 5.25 0.02 1 344 40 45 ILE HB H 1.92 0.02 1 345 40 45 ILE HD1 H 0.85 0.02 1 346 40 45 ILE HG12 H 1.25 0.02 2 347 40 45 ILE HG13 H 1.52 0.02 2 348 40 45 ILE HG2 H 1.05 0.02 1 349 40 45 ILE CA C 56.36 0.2 1 350 40 45 ILE CB C 40.91 0.2 1 351 40 45 ILE CD1 C 12.39 0.2 1 352 40 45 ILE CG1 C 25.46 0.2 1 353 40 45 ILE CG2 C 18.16 0.2 1 354 40 45 ILE N N 114.04 0.1 1 355 41 46 PRO HA H 5.18 0.02 1 356 41 46 PRO CA C 61.25 0.2 1 357 42 47 LEU H H 7.33 0.02 1 358 42 47 LEU HA H 4.99 0.02 1 359 42 47 LEU HB2 H 1.58 0.02 2 360 42 47 LEU HB3 H 1.58 0.02 2 361 42 47 LEU HD1 H 0.91 0.02 2 362 42 47 LEU HD2 H 0.91 0.02 2 363 42 47 LEU HG H 0.90 0.02 1 364 42 47 LEU CA C 51.71 0.2 1 365 42 47 LEU CB C 41.38 0.2 1 366 42 47 LEU CD1 C 22.75 0.2 2 367 42 47 LEU CG C 25.36 0.2 1 368 42 47 LEU N N 122.40 0.1 1 369 43 48 PRO HA H 3.85 0.02 1 370 43 48 PRO HB2 H 1.89 0.02 2 371 43 48 PRO HB3 H 1.89 0.02 2 372 43 48 PRO CA C 64.03 0.2 1 373 43 48 PRO CB C 31.39 0.2 1 374 44 49 THR H H 8.36 0.02 1 375 44 49 THR HA H 4.24 0.02 1 376 44 49 THR HB H 4.12 0.02 1 377 44 49 THR HG2 H 0.70 0.02 1 378 44 49 THR CA C 62.56 0.2 1 379 44 49 THR CB C 69.89 0.2 1 380 44 49 THR N N 120.35 0.1 1 381 45 50 ARG H H 8.23 0.02 1 382 45 50 ARG HA H 4.63 0.02 1 383 45 50 ARG HB2 H 1.68 0.02 2 384 45 50 ARG HB3 H 1.81 0.02 2 385 45 50 ARG HD2 H 3.21 0.02 2 386 45 50 ARG HD3 H 3.21 0.02 2 387 45 50 ARG HG2 H 1.55 0.02 2 388 45 50 ARG HG3 H 1.68 0.02 2 389 45 50 ARG CA C 54.30 0.2 1 390 45 50 ARG CB C 31.73 0.2 1 391 45 50 ARG CD C 43.37 0.2 1 392 45 50 ARG CG C 26.71 0.2 1 393 45 50 ARG N N 126.38 0.1 1 394 46 51 SER HA H 4.06 0.02 1 395 46 51 SER HB2 H 3.94 0.02 2 396 46 51 SER HB3 H 4.14 0.02 2 397 46 51 SER CA C 59.02 0.2 1 398 46 51 SER CB C 61.68 0.2 1 399 47 52 ARG HA H 3.77 0.02 1 400 47 52 ARG HB2 H 1.92 0.02 2 401 47 52 ARG HB3 H 1.92 0.02 2 402 47 52 ARG HD2 H 3.26 0.02 2 403 47 52 ARG HD3 H 3.26 0.02 2 404 47 52 ARG HG2 H 1.67 0.02 2 405 47 52 ARG HG3 H 1.74 0.02 2 406 47 52 ARG CA C 57.21 0.2 1 407 47 52 ARG CB C 30.36 0.2 1 408 47 52 ARG CD C 43.32 0.2 1 409 47 52 ARG CG C 26.85 0.2 1 410 48 53 THR H H 7.90 0.02 1 411 48 53 THR HA H 4.15 0.02 1 412 48 53 THR HB H 3.87 0.02 1 413 48 53 THR HG2 H 0.97 0.02 1 414 48 53 THR CA C 62.33 0.2 1 415 48 53 THR CB C 69.51 0.2 1 416 48 53 THR N N 114.23 0.1 1 417 49 54 HIS H H 8.88 0.02 1 418 49 54 HIS HA H 4.75 0.02 1 419 49 54 HIS HB2 H 2.85 0.02 2 420 49 54 HIS HB3 H 2.85 0.02 2 421 49 54 HIS HD2 H 6.99 0.02 1 422 49 54 HIS HE1 H 7.45 0.02 1 423 49 54 HIS CA C 55.65 0.2 1 424 49 54 HIS CB C 32.87 0.2 1 425 49 54 HIS N N 127.07 0.1 1 426 50 55 LEU H H 8.58 0.02 1 427 50 55 LEU HA H 5.64 0.02 1 428 50 55 LEU HB2 H 1.41 0.02 2 429 50 55 LEU HB3 H 1.65 0.02 2 430 50 55 LEU HD1 H 0.90 0.02 2 431 50 55 LEU HD2 H 0.90 0.02 2 432 50 55 LEU HG H 1.65 0.02 1 433 50 55 LEU CA C 54.03 0.2 1 434 50 55 LEU CB C 48.65 0.2 1 435 50 55 LEU CD1 C 25.49 0.2 2 436 50 55 LEU CG C 27.72 0.2 1 437 50 55 LEU N N 120.30 0.1 1 438 51 56 ARG H H 8.78 0.02 1 439 51 56 ARG HA H 5.24 0.02 1 440 51 56 ARG CA C 53.54 0.2 1 441 51 56 ARG N N 121.75 0.1 1 442 52 57 LEU H H 8.84 0.02 1 443 52 57 LEU HA H 5.47 0.02 1 444 52 57 LEU HB2 H 1.60 0.02 2 445 52 57 LEU HB3 H 1.74 0.02 2 446 52 57 LEU HD1 H 0.89 0.02 2 447 52 57 LEU HD2 H 0.89 0.02 2 448 52 57 LEU HG H 1.59 0.02 1 449 52 57 LEU CA C 53.72 0.2 1 450 52 57 LEU CB C 45.65 0.2 1 451 52 57 LEU CD1 C 25.52 0.2 2 452 52 57 LEU CG C 27.50 0.2 1 453 52 57 LEU N N 122.14 0.1 1 454 53 58 VAL H H 9.12 0.02 1 455 53 58 VAL HA H 4.48 0.02 1 456 53 58 VAL HB H 2.06 0.02 1 457 53 58 VAL HG1 H 0.90 0.02 2 458 53 58 VAL HG2 H 0.90 0.02 2 459 53 58 VAL CA C 61.88 0.2 1 460 53 58 VAL CB C 35.25 0.2 1 461 53 58 VAL CG1 C 21.37 0.2 2 462 53 58 VAL N N 122.19 0.1 1 463 54 59 ASP H H 8.15 0.02 1 464 54 59 ASP HA H 5.90 0.02 1 465 54 59 ASP CA C 52.47 0.2 1 466 54 59 ASP N N 125.85 0.1 1 467 55 60 ILE H H 9.37 0.02 1 468 55 60 ILE HA H 4.72 0.02 1 469 55 60 ILE HB H 1.89 0.02 1 470 55 60 ILE HD1 H 0.77 0.02 1 471 55 60 ILE HG12 H 1.06 0.02 2 472 55 60 ILE HG13 H 1.52 0.02 2 473 55 60 ILE HG2 H 0.83 0.02 1 474 55 60 ILE CA C 59.52 0.2 1 475 55 60 ILE CB C 38.64 0.2 1 476 55 60 ILE CD1 C 13.61 0.2 1 477 55 60 ILE CG1 C 27.80 0.2 1 478 55 60 ILE CG2 C 18.81 0.2 1 479 55 60 ILE N N 122.46 0.1 1 480 56 61 VAL H H 8.77 0.02 1 481 56 61 VAL HA H 4.51 0.02 1 482 56 61 VAL HB H 1.87 0.02 1 483 56 61 VAL HG1 H 0.73 0.02 2 484 56 61 VAL HG2 H 0.73 0.02 2 485 56 61 VAL CA C 60.54 0.2 1 486 56 61 VAL CB C 31.62 0.2 1 487 56 61 VAL CG1 C 21.37 0.2 2 488 56 61 VAL N N 126.22 0.1 1 489 57 62 GLU H H 9.00 0.02 1 490 57 62 GLU HA H 4.49 0.02 1 491 57 62 GLU HB2 H 2.07 0.02 2 492 57 62 GLU HB3 H 2.13 0.02 2 493 57 62 GLU HG2 H 2.30 0.02 2 494 57 62 GLU HG3 H 2.30 0.02 2 495 57 62 GLU CA C 55.88 0.2 1 496 57 62 GLU CB C 29.71 0.2 1 497 57 62 GLU CG C 34.22 0.2 1 498 57 62 GLU N N 118.84 0.1 1 499 58 63 PRO HA H 4.52 0.02 1 500 58 63 PRO HB2 H 2.01 0.02 2 501 58 63 PRO HB3 H 2.30 0.02 2 502 58 63 PRO HD2 H 3.77 0.02 2 503 58 63 PRO HD3 H 3.86 0.02 2 504 58 63 PRO HG2 H 2.05 0.02 2 505 58 63 PRO HG3 H 2.08 0.02 2 506 58 63 PRO CA C 63.36 0.2 1 507 58 63 PRO CB C 32.16 0.2 1 508 58 63 PRO CD C 50.81 0.2 1 509 58 63 PRO CG C 27.45 0.2 1 510 59 64 THR H H 7.70 0.02 1 511 59 64 THR HA H 4.82 0.02 1 512 59 64 THR HB H 4.84 0.02 1 513 59 64 THR HG2 H 1.40 0.02 1 514 59 64 THR CA C 59.63 0.2 1 515 59 64 THR CB C 72.42 0.2 1 516 59 64 THR N N 109.05 0.1 1 517 60 65 GLU HA H 4.18 0.02 1 518 60 65 GLU HB2 H 2.17 0.02 2 519 60 65 GLU HB3 H 2.17 0.02 2 520 60 65 GLU HG2 H 2.22 0.02 2 521 60 65 GLU HG3 H 2.39 0.02 2 522 60 65 GLU CA C 59.61 0.2 1 523 60 65 GLU CB C 28.87 0.2 1 524 60 65 GLU CG C 36.31 0.2 1 525 61 66 LYS H H 7.79 0.02 1 526 61 66 LYS HA H 4.30 0.02 1 527 61 66 LYS HB2 H 1.91 0.02 2 528 61 66 LYS HB3 H 1.91 0.02 2 529 61 66 LYS HD2 H 1.72 0.02 2 530 61 66 LYS HD3 H 1.72 0.02 2 531 61 66 LYS HE2 H 3.04 0.02 2 532 61 66 LYS HE3 H 3.04 0.02 2 533 61 66 LYS HG2 H 1.55 0.02 2 534 61 66 LYS HG3 H 1.67 0.02 2 535 61 66 LYS CA C 58.27 0.2 1 536 61 66 LYS CB C 32.63 0.2 1 537 61 66 LYS CD C 28.61 0.2 1 538 61 66 LYS CE C 41.93 0.2 1 539 61 66 LYS CG C 25.32 0.2 1 540 61 66 LYS N N 117.50 0.1 1 541 62 67 THR H H 8.00 0.02 1 542 62 67 THR HA H 4.13 0.02 1 543 62 67 THR HB H 4.27 0.02 1 544 62 67 THR HG2 H 1.11 0.02 1 545 62 67 THR CA C 66.70 0.2 1 546 62 67 THR CB C 68.71 0.2 1 547 62 67 THR N N 119.00 0.1 1 548 63 68 VAL H H 7.87 0.02 1 549 63 68 VAL HA H 3.26 0.02 1 550 63 68 VAL HB H 2.10 0.02 1 551 63 68 VAL HG1 H 0.78 0.02 2 552 63 68 VAL HG2 H 0.85 0.02 2 553 63 68 VAL CA C 68.15 0.2 1 554 63 68 VAL CB C 31.35 0.2 1 555 63 68 VAL CG1 C 22.92 0.2 2 556 63 68 VAL CG2 C 21.63 0.2 2 557 63 68 VAL N N 120.39 0.1 1 558 64 69 ASP H H 7.95 0.02 1 559 64 69 ASP HA H 4.25 0.02 1 560 64 69 ASP HB2 H 2.59 0.02 2 561 64 69 ASP HB3 H 2.81 0.02 2 562 64 69 ASP CA C 57.88 0.2 1 563 64 69 ASP CB C 42.27 0.2 1 564 64 69 ASP N N 118.63 0.1 1 565 65 70 ALA H H 7.82 0.02 1 566 65 70 ALA HA H 4.06 0.02 1 567 65 70 ALA HB H 1.49 0.02 1 568 65 70 ALA CA C 54.97 0.2 1 569 65 70 ALA CB C 19.38 0.2 1 570 65 70 ALA N N 118.40 0.1 1 571 66 71 LEU H H 8.23 0.02 1 572 66 71 LEU HA H 4.06 0.02 1 573 66 71 LEU HB2 H 1.51 0.02 2 574 66 71 LEU HB3 H 1.91 0.02 2 575 66 71 LEU CA C 57.14 0.2 1 576 66 71 LEU CB C 42.05 0.2 1 577 66 71 LEU N N 117.79 0.1 1 578 67 72 MET H H 8.06 0.02 1 579 67 72 MET HA H 4.15 0.02 1 580 67 72 MET HB2 H 2.06 0.02 2 581 67 72 MET HB3 H 2.13 0.02 2 582 67 72 MET HE H 1.89 0.02 1 583 67 72 MET HG2 H 2.71 0.02 2 584 67 72 MET HG3 H 2.86 0.02 2 585 67 72 MET CA C 58.95 0.2 1 586 67 72 MET CB C 32.81 0.2 1 587 67 72 MET CE C 16.91 0.2 1 588 67 72 MET CG C 32.36 0.2 1 589 67 72 MET N N 116.35 0.1 1 590 68 73 ARG H H 7.17 0.02 1 591 68 73 ARG HA H 4.38 0.02 1 592 68 73 ARG HB2 H 1.68 0.02 2 593 68 73 ARG HB3 H 2.06 0.02 2 594 68 73 ARG HD2 H 3.09 0.02 2 595 68 73 ARG HD3 H 3.09 0.02 2 596 68 73 ARG HG2 H 1.76 0.02 2 597 68 73 ARG HG3 H 1.76 0.02 2 598 68 73 ARG CA C 55.88 0.2 1 599 68 73 ARG CB C 30.89 0.2 1 600 68 73 ARG CD C 42.99 0.2 1 601 68 73 ARG CG C 27.18 0.2 1 602 68 73 ARG N N 115.84 0.1 1 603 69 74 LEU H H 7.04 0.02 1 604 69 74 LEU HA H 4.22 0.02 1 605 69 74 LEU HB2 H 1.79 0.02 2 606 69 74 LEU HB3 H 1.94 0.02 2 607 69 74 LEU HD1 H 0.92 0.02 2 608 69 74 LEU HD2 H 0.92 0.02 2 609 69 74 LEU CA C 55.23 0.2 1 610 69 74 LEU CB C 43.13 0.2 1 611 69 74 LEU CD1 C 25.10 0.2 2 612 69 74 LEU N N 123.33 0.1 1 613 70 75 ASP H H 8.38 0.02 1 614 70 75 ASP HA H 4.68 0.02 1 615 70 75 ASP HB2 H 2.47 0.02 2 616 70 75 ASP HB3 H 2.72 0.02 2 617 70 75 ASP CA C 53.27 0.2 1 618 70 75 ASP CB C 40.82 0.2 1 619 70 75 ASP N N 125.36 0.1 1 620 71 76 LEU H H 7.66 0.02 1 621 71 76 LEU HA H 4.32 0.02 1 622 71 76 LEU HB2 H 1.48 0.02 2 623 71 76 LEU HB3 H 1.54 0.02 2 624 71 76 LEU HD1 H 0.61 0.02 2 625 71 76 LEU HD2 H 0.47 0.02 2 626 71 76 LEU CA C 53.91 0.2 1 627 71 76 LEU CB C 43.89 0.2 1 628 71 76 LEU CD1 C 23.97 0.2 2 629 71 76 LEU CD2 C 23.97 0.2 2 630 71 76 LEU N N 124.46 0.1 1 631 72 77 ALA H H 8.70 0.02 1 632 72 77 ALA HA H 4.18 0.02 1 633 72 77 ALA HB H 1.48 0.02 1 634 72 77 ALA CA C 53.93 0.2 1 635 72 77 ALA CB C 18.85 0.2 1 636 72 77 ALA N N 126.41 0.1 1 637 73 78 ALA H H 8.44 0.02 1 638 73 78 ALA HA H 4.11 0.02 1 639 73 78 ALA HB H 1.43 0.02 1 640 73 78 ALA CA C 52.90 0.2 1 641 73 78 ALA CB C 19.30 0.2 1 642 73 78 ALA N N 124.13 0.1 1 643 74 79 GLY H H 8.46 0.02 1 644 74 79 GLY HA2 H 3.94 0.02 2 645 74 79 GLY HA3 H 4.00 0.02 2 646 74 79 GLY CA C 45.19 0.2 1 647 74 79 GLY N N 104.97 0.1 1 648 75 80 VAL H H 7.80 0.02 1 649 75 80 VAL HA H 4.59 0.02 1 650 75 80 VAL HB H 2.10 0.02 1 651 75 80 VAL HG1 H 0.81 0.02 2 652 75 80 VAL HG2 H 0.74 0.02 2 653 75 80 VAL CA C 61.03 0.2 1 654 75 80 VAL CB C 32.88 0.2 1 655 75 80 VAL CG1 C 21.86 0.2 2 656 75 80 VAL CG2 C 21.86 0.2 2 657 75 80 VAL N N 121.48 0.1 1 658 76 81 ASP H H 9.25 0.02 1 659 76 81 ASP HA H 4.84 0.02 1 660 76 81 ASP HB2 H 2.58 0.02 2 661 76 81 ASP HB3 H 2.72 0.02 2 662 76 81 ASP CA C 53.88 0.2 1 663 76 81 ASP CB C 43.97 0.2 1 664 76 81 ASP N N 128.30 0.1 1 665 77 82 VAL H H 8.19 0.02 1 666 77 82 VAL HA H 5.11 0.02 1 667 77 82 VAL HB H 1.77 0.02 1 668 77 82 VAL HG1 H 0.80 0.02 2 669 77 82 VAL HG2 H 0.67 0.02 2 670 77 82 VAL CA C 59.90 0.2 1 671 77 82 VAL CB C 35.19 0.2 1 672 77 82 VAL CG1 C 21.31 0.2 2 673 77 82 VAL CG2 C 21.31 0.2 2 674 77 82 VAL N N 121.38 0.1 1 675 78 83 GLN H H 8.57 0.02 1 676 78 83 GLN HA H 4.74 0.02 1 677 78 83 GLN HB2 H 1.97 0.02 2 678 78 83 GLN HB3 H 2.17 0.02 2 679 78 83 GLN HG2 H 2.37 0.02 2 680 78 83 GLN HG3 H 2.37 0.02 2 681 78 83 GLN CA C 54.94 0.2 1 682 78 83 GLN CB C 32.57 0.2 1 683 78 83 GLN CG C 33.84 0.2 1 684 78 83 GLN N N 124.23 0.1 1 685 79 84 ILE HA H 4.74 0.02 1 686 79 84 ILE HB H 1.88 0.02 1 687 79 84 ILE HD1 H 0.89 0.02 1 688 79 84 ILE HG12 H 1.61 0.02 2 689 79 84 ILE HG13 H 1.61 0.02 2 690 79 84 ILE HG2 H 0.89 0.02 1 691 79 84 ILE CA C 61.12 0.2 1 692 79 84 ILE CB C 41.03 0.2 1 693 79 84 ILE CD1 C 14.27 0.2 1 694 79 84 ILE CG1 C 27.76 0.2 1 695 79 84 ILE CG2 C 17.99 0.2 1 696 80 85 SER H H 9.36 0.02 1 697 80 85 SER HA H 5.05 0.02 1 698 80 85 SER HB2 H 3.78 0.02 2 699 80 85 SER HB3 H 3.79 0.02 2 700 80 85 SER CA C 56.96 0.2 1 701 80 85 SER CB C 65.29 0.2 1 702 80 85 SER N N 121.96 0.1 1 703 81 86 LEU H H 8.80 0.02 1 704 81 86 LEU HA H 5.13 0.02 1 705 81 86 LEU HB2 H 1.66 0.02 2 706 81 86 LEU HB3 H 1.66 0.02 2 707 81 86 LEU HD2 H 0.85 0.02 2 708 81 86 LEU N N 125.57 0.1 1 709 82 87 GLY H H 8.31 0.02 1 710 82 87 GLY HA2 H 3.93 0.02 2 711 82 87 GLY HA3 H 3.83 0.02 2 712 82 87 GLY CA C 46.37 0.2 1 713 82 87 GLY N N 116.90 0.1 1 stop_ save_ save_Assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D 1H-13C NOESY' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $15N_13C_-NusG-CTD_NusE_NusB $NusG-CTD_15N_13C_NusE_NusB stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name NusG _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 1 119 1 GLY HA2 H 3.72 0.02 2 2 119 1 GLY HA3 H 3.72 0.02 2 3 119 1 GLY CA C 44.17 0.2 1 4 120 2 ALA HA H 4.38 0.02 1 5 120 2 ALA HB H 1.42 0.02 1 6 120 2 ALA CA C 52.49 0.2 1 7 120 2 ALA CB C 19.33 0.2 1 8 121 3 MET HA H 4.52 0.02 1 9 121 3 MET HB2 H 2.07 0.02 2 10 121 3 MET HB3 H 2.14 0.02 2 11 121 3 MET HE H 2.13 0.02 1 12 121 3 MET HG2 H 2.60 0.02 2 13 121 3 MET HG3 H 2.67 0.02 2 14 121 3 MET CA C 55.53 0.2 1 15 121 3 MET CB C 32.10 0.2 1 16 121 3 MET CE C 16.98 0.2 1 17 121 3 MET CG C 32.87 0.2 1 18 122 4 GLY HA2 H 3.97 0.02 2 19 122 4 GLY HA3 H 3.97 0.02 2 20 122 4 GLY CA C 45.12 0.2 1 21 123 5 ARG HA H 4.65 0.02 1 22 123 5 ARG HB2 H 1.75 0.02 2 23 123 5 ARG HB3 H 1.86 0.02 2 24 123 5 ARG HD2 H 3.21 0.02 2 25 123 5 ARG HD3 H 3.28 0.02 2 26 123 5 ARG HG2 H 1.64 0.02 2 27 123 5 ARG HG3 H 1.64 0.02 2 28 123 5 ARG CA C 53.85 0.2 1 29 123 5 ARG CB C 30.31 0.2 1 30 123 5 ARG CD C 43.54 0.2 1 31 123 5 ARG CG C 26.79 0.2 1 32 124 6 PRO HA H 4.46 0.02 1 33 124 6 PRO HB2 H 1.90 0.02 2 34 124 6 PRO HB3 H 2.34 0.02 2 35 124 6 PRO HD2 H 3.58 0.02 2 36 124 6 PRO HD3 H 3.83 0.02 2 37 124 6 PRO HG2 H 1.98 0.02 2 38 124 6 PRO HG3 H 1.98 0.02 2 39 124 6 PRO CA C 63.06 0.2 1 40 124 6 PRO CB C 32.31 0.2 1 41 124 6 PRO CD C 50.68 0.2 1 42 124 6 PRO CG C 27.47 0.2 1 43 125 7 LYS HA H 4.27 0.02 1 44 125 7 LYS HB2 H 1.79 0.02 2 45 125 7 LYS HB3 H 1.84 0.02 2 46 125 7 LYS HD2 H 1.71 0.02 2 47 125 7 LYS HD3 H 1.71 0.02 2 48 125 7 LYS HE2 H 3.00 0.02 2 49 125 7 LYS HE3 H 3.00 0.02 2 50 125 7 LYS HG2 H 1.43 0.02 2 51 125 7 LYS HG3 H 1.51 0.02 2 52 125 7 LYS CA C 56.76 0.2 1 53 125 7 LYS CB C 32.98 0.2 1 54 125 7 LYS CD C 29.10 0.2 1 55 125 7 LYS CE C 41.96 0.2 1 56 125 7 LYS CG C 24.91 0.2 1 57 126 8 THR HA H 4.15 0.02 1 58 126 8 THR HB H 4.01 0.02 1 59 126 8 THR HG2 H 0.92 0.02 1 60 126 8 THR CA C 61.63 0.2 1 61 126 8 THR CB C 69.74 0.2 1 62 127 9 LEU H H 7.87 0.02 1 63 127 9 LEU HA H 4.49 0.02 1 64 127 9 LEU HB2 H 1.38 0.02 2 65 127 9 LEU HB3 H 1.49 0.02 2 66 127 9 LEU HD1 H 0.87 0.02 2 67 127 9 LEU HD2 H 0.79 0.02 2 68 127 9 LEU HG H 1.45 0.02 1 69 127 9 LEU CA C 54.66 0.2 1 70 127 9 LEU CB C 43.40 0.2 1 71 127 9 LEU CD1 C 25.02 0.2 2 72 127 9 LEU CD2 C 23.82 0.2 2 73 127 9 LEU CG C 27.03 0.2 1 74 127 9 LEU N N 124.47 0.1 1 75 128 10 PHE H H 7.48 0.02 1 76 128 10 PHE HA H 4.97 0.02 1 77 128 10 PHE HB2 H 2.26 0.02 2 78 128 10 PHE HB3 H 2.67 0.02 2 79 128 10 PHE HD1 H 6.45 0.02 1 80 128 10 PHE HD2 H 6.45 0.02 1 81 128 10 PHE HE1 H 6.55 0.02 1 82 128 10 PHE HE2 H 6.55 0.02 1 83 128 10 PHE HZ H 7.00 0.02 1 84 128 10 PHE CA C 56.51 0.2 1 85 128 10 PHE CB C 43.84 0.2 1 86 128 10 PHE N N 117.34 0.1 1 87 129 11 GLU H H 9.10 0.02 1 88 129 11 GLU HA H 4.94 0.02 1 89 129 11 GLU HB2 H 1.80 0.02 2 90 129 11 GLU HB3 H 2.01 0.02 2 91 129 11 GLU HG2 H 2.21 0.02 2 92 129 11 GLU HG3 H 2.21 0.02 2 93 129 11 GLU CA C 52.83 0.2 1 94 129 11 GLU CB C 31.99 0.2 1 95 129 11 GLU CG C 35.88 0.2 1 96 129 11 GLU N N 121.27 0.1 1 97 130 12 PRO HA H 3.96 0.02 1 98 130 12 PRO HB2 H 1.92 0.02 2 99 130 12 PRO HB3 H 2.25 0.02 2 100 130 12 PRO HD2 H 3.76 0.02 2 101 130 12 PRO HD3 H 3.76 0.02 2 102 130 12 PRO HG2 H 1.74 0.02 2 103 130 12 PRO HG3 H 2.35 0.02 2 104 130 12 PRO CA C 63.73 0.2 1 105 130 12 PRO CB C 31.47 0.2 1 106 130 12 PRO CD C 50.80 0.2 1 107 130 12 PRO CG C 28.74 0.2 1 108 131 13 GLY H H 9.31 0.02 1 109 131 13 GLY HA2 H 3.49 0.02 2 110 131 13 GLY HA3 H 4.47 0.02 2 111 131 13 GLY CA C 44.81 0.2 1 112 131 13 GLY N N 112.78 0.1 1 113 132 14 GLU H H 7.80 0.02 1 114 132 14 GLU HA H 4.43 0.02 1 115 132 14 GLU HB2 H 2.07 0.02 2 116 132 14 GLU HB3 H 2.38 0.02 2 117 132 14 GLU HG2 H 2.41 0.02 2 118 132 14 GLU HG3 H 2.43 0.02 2 119 132 14 GLU CA C 56.62 0.2 1 120 132 14 GLU CB C 31.58 0.2 1 121 132 14 GLU CG C 37.35 0.2 1 122 132 14 GLU N N 120.56 0.1 1 123 133 15 MET H H 8.59 0.02 1 124 133 15 MET HA H 5.23 0.02 1 125 133 15 MET HB2 H 2.11 0.02 2 126 133 15 MET HB3 H 2.11 0.02 2 127 133 15 MET HE H 2.07 0.02 1 128 133 15 MET HG2 H 2.59 0.02 2 129 133 15 MET HG3 H 2.66 0.02 2 130 133 15 MET CA C 54.65 0.2 1 131 133 15 MET CB C 33.12 0.2 1 132 133 15 MET CE C 16.66 0.2 1 133 133 15 MET CG C 32.17 0.2 1 134 133 15 MET N N 121.73 0.1 1 135 134 16 VAL H H 8.99 0.02 1 136 134 16 VAL HA H 5.08 0.02 1 137 134 16 VAL HB H 2.06 0.02 1 138 134 16 VAL HG1 H 0.66 0.02 2 139 134 16 VAL HG2 H 0.47 0.02 2 140 134 16 VAL CA C 58.67 0.2 1 141 134 16 VAL CB C 36.08 0.2 1 142 134 16 VAL CG1 C 22.39 0.2 2 143 134 16 VAL CG2 C 18.25 0.2 2 144 134 16 VAL N N 116.35 0.1 1 145 135 17 ARG H H 8.98 0.02 1 146 135 17 ARG HA H 5.05 0.02 1 147 135 17 ARG HB2 H 1.62 0.02 2 148 135 17 ARG HB3 H 1.71 0.02 2 149 135 17 ARG HD2 H 3.20 0.02 2 150 135 17 ARG HD3 H 3.30 0.02 2 151 135 17 ARG HG2 H 1.45 0.02 2 152 135 17 ARG HG3 H 1.45 0.02 2 153 135 17 ARG CA C 58.67 0.2 1 154 135 17 ARG CB C 33.60 0.2 1 155 135 17 ARG CD C 43.24 0.2 1 156 135 17 ARG CG C 27.73 0.2 1 157 135 17 ARG N N 121.27 0.1 1 158 136 18 VAL H H 8.75 0.02 1 159 136 18 VAL HA H 4.32 0.02 1 160 136 18 VAL HB H 2.54 0.02 1 161 136 18 VAL HG1 H 1.07 0.02 2 162 136 18 VAL HG2 H 0.74 0.02 2 163 136 18 VAL CA C 62.90 0.2 1 164 136 18 VAL CB C 30.94 0.2 1 165 136 18 VAL CG1 C 22.75 0.2 2 166 136 18 VAL CG2 C 20.89 0.2 2 167 136 18 VAL N N 127.21 0.1 1 168 137 19 ASN H H 9.08 0.02 1 169 137 19 ASN HA H 5.08 0.02 1 170 137 19 ASN HB2 H 2.47 0.02 2 171 137 19 ASN HB3 H 2.98 0.02 2 172 137 19 ASN HD21 H 6.60 0.02 1 173 137 19 ASN HD22 H 7.35 0.02 1 174 137 19 ASN CA C 52.51 0.2 1 175 137 19 ASN CB C 40.59 0.2 1 176 137 19 ASN N N 125.89 0.1 1 177 137 19 ASN ND2 N 108.92 0.1 1 178 138 20 ASP H H 7.35 0.02 1 179 138 20 ASP HA H 4.97 0.02 1 180 138 20 ASP HB2 H 2.44 0.02 2 181 138 20 ASP HB3 H 2.96 0.02 2 182 138 20 ASP CA C 53.74 0.2 1 183 138 20 ASP CB C 45.29 0.2 1 184 138 20 ASP N N 116.78 0.1 1 185 139 21 GLY H H 8.35 0.02 1 186 139 21 GLY HA2 H 3.89 0.02 2 187 139 21 GLY HA3 H 4.36 0.02 2 188 139 21 GLY CA C 45.18 0.2 1 189 139 21 GLY N N 108.36 0.1 1 190 140 22 PRO HA H 4.21 0.02 1 191 140 22 PRO HB2 H 1.16 0.02 2 192 140 22 PRO HB3 H 2.01 0.02 2 193 140 22 PRO HD2 H 3.56 0.02 2 194 140 22 PRO HD3 H 3.71 0.02 2 195 140 22 PRO HG2 H 1.65 0.02 2 196 140 22 PRO HG3 H 1.86 0.02 2 197 140 22 PRO CA C 64.51 0.2 1 198 140 22 PRO CB C 31.61 0.2 1 199 140 22 PRO CD C 49.61 0.2 1 200 140 22 PRO CG C 27.14 0.2 1 201 141 23 PHE HA H 4.46 0.02 1 202 141 23 PHE HB2 H 2.95 0.02 2 203 141 23 PHE HB3 H 2.95 0.02 2 204 141 23 PHE HD1 H 6.66 0.02 1 205 141 23 PHE HD2 H 6.66 0.02 1 206 141 23 PHE HE1 H 6.97 0.02 1 207 141 23 PHE HE2 H 6.97 0.02 1 208 141 23 PHE HZ H 7.23 0.02 1 209 141 23 PHE CA C 55.82 0.2 1 210 141 23 PHE CB C 40.17 0.2 1 211 142 24 ALA H H 7.30 0.02 1 212 142 24 ALA HA H 3.53 0.02 1 213 142 24 ALA HB H 1.25 0.02 1 214 142 24 ALA CA C 54.12 0.2 1 215 142 24 ALA CB C 17.95 0.2 1 216 142 24 ALA N N 121.29 0.1 1 217 143 25 ASP H H 8.94 0.02 1 218 143 25 ASP HA H 4.22 0.02 1 219 143 25 ASP HB2 H 2.86 0.02 2 220 143 25 ASP HB3 H 3.03 0.02 2 221 143 25 ASP CA C 57.16 0.2 1 222 143 25 ASP CB C 39.86 0.2 1 223 143 25 ASP N N 114.14 0.1 1 224 144 26 PHE H H 8.36 0.02 1 225 144 26 PHE HA H 4.67 0.02 1 226 144 26 PHE HB2 H 2.95 0.02 2 227 144 26 PHE HB3 H 3.53 0.02 2 228 144 26 PHE HD1 H 7.29 0.02 1 229 144 26 PHE HD2 H 7.29 0.02 1 230 144 26 PHE CA C 58.49 0.2 1 231 144 26 PHE CB C 39.14 0.2 1 232 144 26 PHE N N 119.69 0.1 1 233 145 27 ASN H H 8.61 0.02 1 234 145 27 ASN HA H 5.72 0.02 1 235 145 27 ASN HB2 H 2.72 0.02 2 236 145 27 ASN HB3 H 2.80 0.02 2 237 145 27 ASN HD21 H 7.16 0.02 1 238 145 27 ASN HD22 H 6.86 0.02 1 239 145 27 ASN CA C 51.96 0.2 1 240 145 27 ASN CB C 41.28 0.2 1 241 145 27 ASN N N 117.84 0.1 1 242 145 27 ASN ND2 N 110.42 0.1 1 243 146 28 GLY H H 8.78 0.02 1 244 146 28 GLY HA2 H 3.60 0.02 2 245 146 28 GLY HA3 H 4.69 0.02 2 246 146 28 GLY CA C 45.57 0.2 1 247 146 28 GLY N N 106.19 0.1 1 248 147 29 VAL H H 7.86 0.02 1 249 147 29 VAL HA H 4.90 0.02 1 250 147 29 VAL HB H 1.90 0.02 1 251 147 29 VAL HG1 H 0.95 0.02 2 252 147 29 VAL HG2 H 0.88 0.02 2 253 147 29 VAL CA C 60.03 0.2 1 254 147 29 VAL CB C 34.63 0.2 1 255 147 29 VAL CG1 C 21.51 0.2 2 256 147 29 VAL CG2 C 20.98 0.2 2 257 147 29 VAL N N 118.29 0.1 1 258 148 30 VAL H H 9.03 0.02 1 259 148 30 VAL HA H 3.71 0.02 1 260 148 30 VAL HB H 2.34 0.02 1 261 148 30 VAL HG1 H 0.60 0.02 2 262 148 30 VAL HG2 H 0.91 0.02 2 263 148 30 VAL CA C 64.92 0.2 1 264 148 30 VAL CB C 32.04 0.2 1 265 148 30 VAL CG1 C 22.84 0.2 2 266 148 30 VAL CG2 C 23.84 0.2 2 267 148 30 VAL N N 126.44 0.1 1 268 149 31 GLU H H 9.51 0.02 1 269 149 31 GLU HA H 4.67 0.02 1 270 149 31 GLU HB2 H 1.71 0.02 2 271 149 31 GLU HB3 H 2.06 0.02 2 272 149 31 GLU HG2 H 2.21 0.02 2 273 149 31 GLU HG3 H 2.22 0.02 2 274 149 31 GLU CA C 57.32 0.2 1 275 149 31 GLU CB C 31.99 0.2 1 276 149 31 GLU CG C 35.91 0.2 1 277 149 31 GLU N N 129.10 0.1 1 278 150 32 GLU H H 7.59 0.02 1 279 150 32 GLU HA H 4.63 0.02 1 280 150 32 GLU HB2 H 1.91 0.02 2 281 150 32 GLU HB3 H 2.02 0.02 2 282 150 32 GLU HG2 H 2.22 0.02 2 283 150 32 GLU HG3 H 2.22 0.02 2 284 150 32 GLU CA C 55.37 0.2 1 285 150 32 GLU CB C 34.65 0.2 1 286 150 32 GLU CG C 36.65 0.2 1 287 150 32 GLU N N 115.73 0.1 1 288 151 33 VAL H H 8.83 0.02 1 289 151 33 VAL HA H 4.25 0.02 1 290 151 33 VAL HB H 1.83 0.02 1 291 151 33 VAL HG1 H 0.65 0.02 2 292 151 33 VAL HG2 H 0.65 0.02 2 293 151 33 VAL CA C 61.77 0.2 1 294 151 33 VAL CB C 35.04 0.2 1 295 151 33 VAL CG1 C 21.13 0.2 2 296 151 33 VAL N N 122.12 0.1 1 297 152 34 ASP H H 8.74 0.02 1 298 152 34 ASP HA H 5.00 0.02 1 299 152 34 ASP HB2 H 2.42 0.02 2 300 152 34 ASP HB3 H 2.96 0.02 2 301 152 34 ASP CA C 52.02 0.2 1 302 152 34 ASP CB C 41.47 0.2 1 303 152 34 ASP N N 126.55 0.1 1 304 153 35 TYR H H 8.82 0.02 1 305 153 35 TYR HA H 4.32 0.02 1 306 153 35 TYR HB2 H 3.01 0.02 2 307 153 35 TYR HB3 H 3.31 0.02 2 308 153 35 TYR HD1 H 7.47 0.02 1 309 153 35 TYR HD2 H 7.47 0.02 1 310 153 35 TYR HE1 H 7.14 0.02 1 311 153 35 TYR HE2 H 7.14 0.02 1 312 153 35 TYR CA C 61.77 0.2 1 313 153 35 TYR CB C 38.59 0.2 1 314 153 35 TYR N N 122.65 0.1 1 315 154 36 GLU H H 8.44 0.02 1 316 154 36 GLU HA H 4.18 0.02 1 317 154 36 GLU HB2 H 2.18 0.02 2 318 154 36 GLU HB3 H 2.27 0.02 2 319 154 36 GLU HG2 H 2.29 0.02 2 320 154 36 GLU HG3 H 2.40 0.02 2 321 154 36 GLU CA C 59.23 0.2 1 322 154 36 GLU CB C 29.44 0.2 1 323 154 36 GLU CG C 36.73 0.2 1 324 154 36 GLU N N 120.21 0.1 1 325 155 37 LYS H H 7.47 0.02 1 326 155 37 LYS HA H 4.33 0.02 1 327 155 37 LYS HB2 H 1.31 0.02 2 328 155 37 LYS HB3 H 1.84 0.02 2 329 155 37 LYS HD2 H 1.59 0.02 2 330 155 37 LYS HD3 H 1.64 0.02 2 331 155 37 LYS HE2 H 2.97 0.02 2 332 155 37 LYS HE3 H 2.97 0.02 2 333 155 37 LYS HG2 H 1.32 0.02 2 334 155 37 LYS HG3 H 1.48 0.02 2 335 155 37 LYS CA C 55.11 0.2 1 336 155 37 LYS CB C 33.20 0.2 1 337 155 37 LYS CD C 28.74 0.2 1 338 155 37 LYS CE C 41.76 0.2 1 339 155 37 LYS CG C 25.44 0.2 1 340 155 37 LYS N N 115.67 0.1 1 341 156 38 SER H H 7.45 0.02 1 342 156 38 SER HA H 2.52 0.02 1 343 156 38 SER HB2 H 3.34 0.02 2 344 156 38 SER HB3 H 3.92 0.02 2 345 156 38 SER CA C 58.22 0.2 1 346 156 38 SER CB C 61.00 0.2 1 347 156 38 SER N N 113.86 0.1 1 348 157 39 ARG H H 7.68 0.02 1 349 157 39 ARG HA H 5.19 0.02 1 350 157 39 ARG HB2 H 1.46 0.02 2 351 157 39 ARG HB3 H 1.75 0.02 2 352 157 39 ARG HD2 H 3.05 0.02 2 353 157 39 ARG HD3 H 3.18 0.02 2 354 157 39 ARG HG2 H 1.54 0.02 2 355 157 39 ARG HG3 H 1.63 0.02 2 356 157 39 ARG CA C 53.21 0.2 1 357 157 39 ARG CB C 34.86 0.2 1 358 157 39 ARG CD C 42.96 0.2 1 359 157 39 ARG CG C 26.48 0.2 1 360 157 39 ARG N N 117.44 0.1 1 361 158 40 LEU H H 9.33 0.02 1 362 158 40 LEU HA H 5.02 0.02 1 363 158 40 LEU HB2 H 1.37 0.02 2 364 158 40 LEU HB3 H 1.65 0.02 2 365 158 40 LEU HD1 H 0.12 0.02 2 366 158 40 LEU HD2 H 0.40 0.02 2 367 158 40 LEU HG H 1.36 0.02 1 368 158 40 LEU CA C 53.47 0.2 1 369 158 40 LEU CB C 46.08 0.2 1 370 158 40 LEU CD1 C 26.83 0.2 2 371 158 40 LEU CD2 C 25.92 0.2 2 372 158 40 LEU CG C 26.68 0.2 1 373 158 40 LEU N N 121.41 0.1 1 374 159 41 LYS H H 8.44 0.02 1 375 159 41 LYS HA H 5.15 0.02 1 376 159 41 LYS HB2 H 1.66 0.02 2 377 159 41 LYS HB3 H 1.66 0.02 2 378 159 41 LYS HD2 H 1.55 0.02 2 379 159 41 LYS HD3 H 1.65 0.02 2 380 159 41 LYS HE2 H 2.89 0.02 2 381 159 41 LYS HE3 H 2.89 0.02 2 382 159 41 LYS HG2 H 1.17 0.02 2 383 159 41 LYS HG3 H 1.41 0.02 2 384 159 41 LYS CA C 55.25 0.2 1 385 159 41 LYS CB C 34.77 0.2 1 386 159 41 LYS CD C 29.49 0.2 1 387 159 41 LYS CE C 41.78 0.2 1 388 159 41 LYS CG C 25.45 0.2 1 389 159 41 LYS N N 120.21 0.1 1 390 160 42 VAL H H 9.21 0.02 1 391 160 42 VAL HA H 4.76 0.02 1 392 160 42 VAL HB H 1.64 0.02 1 393 160 42 VAL HG1 H 0.49 0.02 2 394 160 42 VAL HG2 H 0.61 0.02 2 395 160 42 VAL CA C 59.17 0.2 1 396 160 42 VAL CB C 35.02 0.2 1 397 160 42 VAL CG1 C 21.33 0.2 2 398 160 42 VAL CG2 C 22.00 0.2 2 399 160 42 VAL N N 124.94 0.1 1 400 161 43 SER H H 9.16 0.02 1 401 161 43 SER HA H 4.81 0.02 1 402 161 43 SER HB2 H 3.69 0.02 2 403 161 43 SER HB3 H 3.69 0.02 2 404 161 43 SER CA C 57.39 0.2 1 405 161 43 SER CB C 63.09 0.2 1 406 161 43 SER N N 120.95 0.1 1 407 162 44 VAL H H 8.70 0.02 1 408 162 44 VAL N N 125.24 0.1 1 409 163 45 SER H H 8.65 0.02 1 410 163 45 SER HA H 4.84 0.02 1 411 163 45 SER HB2 H 3.73 0.02 2 412 163 45 SER HB3 H 3.85 0.02 2 413 163 45 SER CA C 57.39 0.2 1 414 163 45 SER CB C 62.56 0.2 1 415 163 45 SER N N 119.42 0.1 1 416 164 46 ILE H H 8.35 0.02 1 417 164 46 ILE HB H 1.63 0.02 1 418 164 46 ILE HD1 H 0.44 0.02 1 419 164 46 ILE HG12 H 1.08 0.02 2 420 164 46 ILE HG13 H 1.08 0.02 2 421 164 46 ILE HG2 H 0.60 0.02 1 422 164 46 ILE CB C 39.12 0.2 1 423 164 46 ILE CD1 C 13.65 0.2 1 424 164 46 ILE CG1 C 27.14 0.2 1 425 164 46 ILE CG2 C 16.39 0.2 1 426 164 46 ILE N N 126.40 0.1 1 427 166 48 GLY HA2 H 4.05 0.02 2 428 166 48 GLY HA3 H 4.16 0.02 2 429 166 48 GLY CA C 44.59 0.2 1 430 167 49 ARG H H 7.83 0.02 1 431 167 49 ARG N N 119.64 0.1 1 432 168 50 ALA HA H 4.55 0.02 1 433 168 50 ALA HB H 1.29 0.02 1 434 168 50 ALA CA C 52.42 0.2 1 435 168 50 ALA CB C 18.27 0.2 1 436 169 51 THR HA H 4.81 0.02 1 437 169 51 THR HB H 3.98 0.02 1 438 169 51 THR HG2 H 1.14 0.02 1 439 169 51 THR CA C 60.13 0.2 1 440 169 51 THR CB C 72.10 0.2 1 441 170 52 PRO HA H 4.64 0.02 1 442 170 52 PRO HB2 H 2.16 0.02 2 443 170 52 PRO HB3 H 2.38 0.02 2 444 170 52 PRO HD2 H 3.59 0.02 2 445 170 52 PRO HD3 H 3.84 0.02 2 446 170 52 PRO HG2 H 1.79 0.02 2 447 170 52 PRO HG3 H 1.93 0.02 2 448 170 52 PRO CA C 62.93 0.2 1 449 170 52 PRO CB C 34.53 0.2 1 450 170 52 PRO CD C 50.66 0.2 1 451 170 52 PRO CG C 24.34 0.2 1 452 171 53 VAL H H 9.12 0.02 1 453 171 53 VAL HA H 4.16 0.02 1 454 171 53 VAL HB H 2.15 0.02 1 455 171 53 VAL HG1 H 0.69 0.02 2 456 171 53 VAL HG2 H 0.63 0.02 2 457 171 53 VAL CA C 62.21 0.2 1 458 171 53 VAL CB C 32.67 0.2 1 459 171 53 VAL CG1 C 21.58 0.2 2 460 171 53 VAL CG2 C 21.17 0.2 2 461 171 53 VAL N N 123.96 0.1 1 462 172 54 GLU HA H 5.31 0.02 1 463 172 54 GLU HB2 H 1.91 0.02 2 464 172 54 GLU HB3 H 2.06 0.02 2 465 172 54 GLU HG2 H 2.04 0.02 2 466 172 54 GLU HG3 H 2.20 0.02 2 467 172 54 GLU CA C 55.04 0.2 1 468 172 54 GLU CB C 31.57 0.2 1 469 172 54 GLU CG C 37.45 0.2 1 470 173 55 LEU H H 8.96 0.02 1 471 173 55 LEU HA H 4.85 0.02 1 472 173 55 LEU HB2 H 1.36 0.02 2 473 173 55 LEU HB3 H 1.68 0.02 2 474 173 55 LEU HD1 H 0.65 0.02 2 475 173 55 LEU HD2 H 0.86 0.02 2 476 173 55 LEU HG H 1.36 0.02 1 477 173 55 LEU CA C 53.78 0.2 1 478 173 55 LEU CB C 45.65 0.2 1 479 173 55 LEU CD1 C 27.75 0.2 2 480 173 55 LEU CD2 C 24.99 0.2 2 481 173 55 LEU CG C 27.67 0.2 1 482 173 55 LEU N N 125.26 0.1 1 483 174 56 ASP H H 8.74 0.02 1 484 174 56 ASP HA H 5.16 0.02 1 485 174 56 ASP HB2 H 2.65 0.02 2 486 174 56 ASP HB3 H 2.93 0.02 2 487 174 56 ASP CA C 54.48 0.2 1 488 174 56 ASP CB C 43.07 0.2 1 489 174 56 ASP N N 119.90 0.1 1 490 175 57 PHE H H 8.13 0.02 1 491 175 57 PHE HA H 4.14 0.02 1 492 175 57 PHE HB2 H 3.40 0.02 2 493 175 57 PHE HB3 H 3.40 0.02 2 494 175 57 PHE HD1 H 7.10 0.02 1 495 175 57 PHE HD2 H 7.10 0.02 1 496 175 57 PHE HE1 H 7.35 0.02 1 497 175 57 PHE HE2 H 7.35 0.02 1 498 175 57 PHE HZ H 6.78 0.02 1 499 175 57 PHE CA C 58.83 0.2 1 500 175 57 PHE CB C 38.46 0.2 1 501 175 57 PHE N N 121.66 0.1 1 502 176 58 SER H H 8.55 0.02 1 503 176 58 SER HA H 4.42 0.02 1 504 176 58 SER HB2 H 4.01 0.02 2 505 176 58 SER HB3 H 4.17 0.02 2 506 176 58 SER CA C 60.21 0.2 1 507 176 58 SER CB C 63.13 0.2 1 508 176 58 SER N N 109.69 0.1 1 509 177 59 GLN H H 7.84 0.02 1 510 177 59 GLN HA H 4.75 0.02 1 511 177 59 GLN HB2 H 2.48 0.02 2 512 177 59 GLN HB3 H 2.48 0.02 2 513 177 59 GLN HE21 H 6.83 0.02 1 514 177 59 GLN HE22 H 6.83 0.02 1 515 177 59 GLN HG2 H 2.39 0.02 2 516 177 59 GLN HG3 H 2.51 0.02 2 517 177 59 GLN CA C 56.28 0.2 1 518 177 59 GLN CB C 31.20 0.2 1 519 177 59 GLN CG C 35.99 0.2 1 520 177 59 GLN N N 119.12 0.1 1 521 177 59 GLN NE2 N 111.68 0.1 1 522 178 60 VAL H H 7.38 0.02 1 523 178 60 VAL HA H 5.30 0.02 1 524 178 60 VAL HB H 1.79 0.02 1 525 178 60 VAL HG1 H 0.55 0.02 2 526 178 60 VAL HG2 H 0.67 0.02 2 527 178 60 VAL CA C 58.71 0.2 1 528 178 60 VAL CB C 36.01 0.2 1 529 178 60 VAL CG1 C 20.12 0.2 2 530 178 60 VAL CG2 C 22.97 0.2 2 531 178 60 VAL N N 110.61 0.1 1 532 179 61 GLU H H 8.73 0.02 1 533 179 61 GLU HA H 4.88 0.02 1 534 179 61 GLU HB2 H 2.03 0.02 2 535 179 61 GLU HB3 H 2.12 0.02 2 536 179 61 GLU HG2 H 2.35 0.02 2 537 179 61 GLU HG3 H 2.23 0.02 2 538 179 61 GLU CA C 53.75 0.2 1 539 179 61 GLU CB C 33.81 0.2 1 540 179 61 GLU CG C 35.77 0.2 1 541 179 61 GLU N N 117.96 0.1 1 542 180 62 LYS H H 8.78 0.02 1 543 180 62 LYS HA H 4.38 0.02 1 544 180 62 LYS HB2 H 1.81 0.02 2 545 180 62 LYS HB3 H 2.05 0.02 2 546 180 62 LYS HD2 H 1.68 0.02 2 547 180 62 LYS HD3 H 1.68 0.02 2 548 180 62 LYS HE2 H 2.75 0.02 2 549 180 62 LYS HE3 H 2.80 0.02 2 550 180 62 LYS HG2 H 1.60 0.02 2 551 180 62 LYS HG3 H 1.62 0.02 2 552 180 62 LYS CA C 57.95 0.2 1 553 180 62 LYS CB C 32.56 0.2 1 554 180 62 LYS CD C 28.88 0.2 1 555 180 62 LYS CE C 41.91 0.2 1 556 180 62 LYS CG C 26.12 0.2 1 557 180 62 LYS N N 122.29 0.1 1 558 181 63 ALA H H 7.92 0.02 1 559 181 63 ALA HA H 4.20 0.02 1 560 181 63 ALA HB H 1.22 0.02 1 561 181 63 ALA CA C 53.41 0.2 1 562 181 63 ALA CB C 20.39 0.2 1 563 181 63 ALA N N 131.76 0.1 1 stop_ save_