data_7063 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of the putative cytoplasmic protein ygaC from Salmonella typhimurium. Northeast Structural Genomics target StR72. ; _BMRB_accession_number 7063 _BMRB_flat_file_name bmr7063.str _Entry_type original _Submission_date 2006-04-10 _Accession_date 2006-04-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Aramini J. M. . 2 Swapna G. V.T. . 3 Ramelot T. A. . 4 Ho C. K. . 5 Cunningham K. . . 6 Ma L.-C. . . 7 Shetty K. . . 8 Xiao R. . . 9 Acton T. B. . 10 Kennedy M. A. . 11 Montelione G. T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 709 "13C chemical shifts" 538 "15N chemical shifts" 126 "coupling constants" 65 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-01 original author . stop_ _Original_release_date 2007-02-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR structure of the putative cytoplasmic protein ygaC from Salmonella typhimurium. Northeast Structural Genomics target StR72. ; _Citation_status submitted _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Aramini J. M. . 2 Swapna G. V.T. . 3 Ramelot T. A. . 4 Ho C. K. . 5 Cunningham K. . . 6 Ma L.-C. . . 7 Shetty K. . . 8 Xiao R. . . 9 Acton T. B. . 10 Kennedy M. A. . 11 Montelione G. T. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword AUTOSTRUCTURE NESG 'NMR structure' 'Northeast Structural Genomics Consortium' 'Protein Structure Initiative' PSI StR72 'Structural Genomics' stop_ save_ ################################## # Molecular system description # ################################## save_system _Saveframe_category molecular_system _Mol_system_name 'putative cytoplasmic protein' _Abbreviation_common 'putative cytoplasmic protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'putative cytoplasmic protein' $YGAC stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_YGAC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'putative cytoplasmic protein' _Abbreviation_common 'putative cytoplasmic protein' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; MYLRPDEVARVLEKAGFTVD VVTNKTYGYRRGENYVYVNR EARMGRTALIIHPRLKDRSS SLADPASDIKTCDHYQNFPL YLGGETHEHYGIPHGFSSRI ALERYLNGLFGDEKTDLEHH HHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 TYR 3 LEU 4 ARG 5 PRO 6 ASP 7 GLU 8 VAL 9 ALA 10 ARG 11 VAL 12 LEU 13 GLU 14 LYS 15 ALA 16 GLY 17 PHE 18 THR 19 VAL 20 ASP 21 VAL 22 VAL 23 THR 24 ASN 25 LYS 26 THR 27 TYR 28 GLY 29 TYR 30 ARG 31 ARG 32 GLY 33 GLU 34 ASN 35 TYR 36 VAL 37 TYR 38 VAL 39 ASN 40 ARG 41 GLU 42 ALA 43 ARG 44 MET 45 GLY 46 ARG 47 THR 48 ALA 49 LEU 50 ILE 51 ILE 52 HIS 53 PRO 54 ARG 55 LEU 56 LYS 57 ASP 58 ARG 59 SER 60 SER 61 SER 62 LEU 63 ALA 64 ASP 65 PRO 66 ALA 67 SER 68 ASP 69 ILE 70 LYS 71 THR 72 CYS 73 ASP 74 HIS 75 TYR 76 GLN 77 ASN 78 PHE 79 PRO 80 LEU 81 TYR 82 LEU 83 GLY 84 GLY 85 GLU 86 THR 87 HIS 88 GLU 89 HIS 90 TYR 91 GLY 92 ILE 93 PRO 94 HIS 95 GLY 96 PHE 97 SER 98 SER 99 ARG 100 ILE 101 ALA 102 LEU 103 GLU 104 ARG 105 TYR 106 LEU 107 ASN 108 GLY 109 LEU 110 PHE 111 GLY 112 ASP 113 GLU 114 LYS 115 THR 116 ASP 117 LEU 118 GLU 119 HIS 120 HIS 121 HIS 122 HIS 123 HIS 124 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 2G7J "Solution Nmr Structure Of The Putative Cytoplasmic Protein Ygac From Salmonella Typhimurium. Northeast Structural Genomics Targ" 100.00 124 100.00 100.00 3.18e-85 DBJ BAJ37798 "hypothetical protein STMDT12_C28550 [Salmonella enterica subsp. enterica serovar Typhimurium str. T000240]" 93.55 116 100.00 100.00 3.75e-79 DBJ BAP08706 "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Typhimurium str. L-3553]" 93.55 116 100.00 100.00 3.75e-79 EMBL CAD05911 "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 93.55 116 99.14 100.00 9.58e-79 EMBL CAR34225 "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Enteritidis str. P125109]" 93.55 116 100.00 100.00 3.75e-79 EMBL CAR38517 "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Gallinarum str. 287/91]" 93.55 116 100.00 100.00 3.75e-79 EMBL CBG25775 "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Typhimurium str. D23580]" 93.55 116 100.00 100.00 3.75e-79 EMBL CBW18883 "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Typhimurium str. SL1344]" 93.55 116 100.00 100.00 3.75e-79 GB AAL21686 "putative cytoplasmic protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 93.55 116 100.00 100.00 3.75e-79 GB AAO70265 "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Typhi str. Ty2]" 93.55 116 99.14 100.00 9.58e-79 GB AAX66640 "putative cytoplasmic protein [Salmonella enterica subsp. enterica serovar Choleraesuis str. SC-B67]" 93.55 116 99.14 100.00 9.58e-79 GB ABX68827 "hypothetical protein SPAB_03480 [Salmonella enterica subsp. enterica serovar Paratyphi B str. SPB7]" 93.55 116 99.14 99.14 2.53e-78 GB ACF63119 "YgaC [Salmonella enterica subsp. enterica serovar Newport str. SL254]" 93.55 116 100.00 100.00 3.75e-79 PIR AH0840 "conserved hypothetical protein STY2924 [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 93.55 116 99.14 100.00 9.58e-79 REF NP_457200 "hypothetical protein STY2924 [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 93.55 116 99.14 100.00 9.58e-79 REF NP_461727 "cytoplasmic protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 93.55 116 100.00 100.00 3.75e-79 REF NP_806405 "hypothetical protein t2697 [Salmonella enterica subsp. enterica serovar Typhi str. Ty2]" 93.55 116 99.14 100.00 9.58e-79 REF WP_000281302 "hypothetical protein [Salmonella enterica]" 93.55 116 99.14 99.14 2.53e-78 REF WP_000281303 "hypothetical protein [Salmonella enterica]" 93.55 116 99.14 99.14 2.53e-78 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $YGAC 'Salmonella typhimurium' 602 Bacteria . Salmonella typhimurium 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 $YGAC 'recombinant technology' . . . . . 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 $YGAC 1.12 mM '[U-13C; U-15N]' MES 20 mM . NaCl 100 mM . CaCl2 5 mM . DTT 10 mM . NaN3 0.02 % . D2O 5 % . H2O 95 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $YGAC 1.12 mM '[U-13C; U-15N]' MES 20 mM . NaCl 100 mM . CaCl2 5 mM . DTT 10 mM . NaN3 0.02 % . D2O 100 % . H2O 95 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $YGAC 1.07 mM '[U-5% 13C; U-15N]' MES 20 mM . NaCl 100 mM . CaCl2 5 mM . DTT 10 mM . NaN3 0.02 % . D2O 5 % . H2O 95 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5pl6 loop_ _Task collection stop_ _Details Bruker save_ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Task collection stop_ _Details Varian save_ save_Sparky _Saveframe_category software _Name SPARKY _Version 3.110 loop_ _Task 'data analysis' stop_ _Details 'Goddard & Kneller' save_ save_AUTOASSIGN _Saveframe_category software _Name AutoAssign _Version 1.17.0 loop_ _Task 'data analysis' stop_ _Details 'Zimmerman, Moseley, Montelione' save_ save_AUTOSTRUCTURE _Saveframe_category software _Name AutoStruct _Version 2.1.1 loop_ _Task refinement stop_ _Details 'Huang & Montelione' save_ save_XPLOR-NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.11.2 loop_ _Task refinement stop_ _Details 'Clore et al.' save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Task refinement stop_ _Details 'Brunger et al.' save_ save_PDBstat _Saveframe_category software _Name PDBStat _Version 4.01 loop_ _Task 'data analysis' stop_ _Details 'Tejero & Montelione' save_ save_PSVS _Saveframe_category software _Name PSVS _Version 1.2 loop_ _Task 'data analysis' stop_ _Details 'Bhattacharya & Montelione' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_4D_13C-separated_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C-separated NOESY' _Sample_label . save_ save_HNHA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_high_resolution_CH-HSQC_(stereospecific_assignment_of_Val/Leu_methyls)_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'high resolution CH-HSQC (stereospecific assignment of Val/Leu methyls)' _Sample_label . save_ save_backbone_TR_expts_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'backbone TR expts' _Sample_label . save_ save_3D_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label . save_ save_3D_TOCSYs_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TOCSYs' _Sample_label . save_ save_aromatic_expts_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'aromatic expts' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'high resolution CH-HSQC (stereospecific assignment of Val/Leu methyls)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'backbone TR expts' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TOCSYs' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'aromatic expts' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.5 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' '4D 13C-separated NOESY' HNHA 'high resolution CH-HSQC (stereospecific assignment of Val/Leu methyls)' 'backbone TR expts' '3D HCCH-COSY' '3D TOCSYs' 'aromatic expts' stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'putative cytoplasmic protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET CA C 54.89 0.015 1 2 . 1 MET CB C 33.18 0.015 1 3 . 1 MET CG C 30.90 0.015 1 4 . 1 MET CE C 16.83 0.015 1 5 . 1 MET HE H 2.095 0.02 1 6 . 1 MET HA H 3.973 0.02 1 7 . 1 MET HB2 H 2.122 0.02 1 8 . 1 MET HB3 H 2.122 0.02 1 9 . 1 MET HG2 H 2.564 0.02 1 10 . 1 MET HG3 H 2.564 0.02 1 11 . 1 MET C C 172.33 0.015 1 12 . 2 TYR H H 8.364 0.02 1 13 . 2 TYR HA H 4.764 0.02 1 14 . 2 TYR HB2 H 3.174 0.02 2 15 . 2 TYR HB3 H 3.017 0.02 2 16 . 2 TYR C C 176.47 0.015 1 17 . 2 TYR CA C 57.46 0.015 1 18 . 2 TYR CB C 39.20 0.015 1 19 . 2 TYR N N 120.54 0.015 1 20 . 2 TYR CD1 C 132.6 0.015 1 21 . 2 TYR CD2 C 132.6 0.015 1 22 . 2 TYR CE1 C 118.0 0.015 1 23 . 2 TYR CE2 C 118.0 0.015 1 24 . 2 TYR HD1 H 6.89 0.02 1 25 . 2 TYR HD2 H 6.89 0.02 1 26 . 2 TYR HE1 H 6.66 0.02 1 27 . 2 TYR HE2 H 6.66 0.02 1 28 . 3 LEU H H 8.715 0.02 1 29 . 3 LEU HA H 4.265 0.02 1 30 . 3 LEU HB2 H 1.535 0.02 2 31 . 3 LEU HB3 H 1.365 0.02 2 32 . 3 LEU HG H 1.601 0.02 1 33 . 3 LEU HD1 H 0.638 0.02 1 34 . 3 LEU HD2 H 0.690 0.02 1 35 . 3 LEU C C 176.99 0.015 1 36 . 3 LEU CA C 55.09 0.015 1 37 . 3 LEU CB C 43.42 0.015 1 38 . 3 LEU CG C 27.48 0.015 1 39 . 3 LEU CD1 C 26.00 0.015 1 40 . 3 LEU CD2 C 23.18 0.015 1 41 . 3 LEU N N 120.51 0.015 1 42 . 4 ARG H H 9.225 0.02 1 43 . 4 ARG C C 176.05 0.015 1 44 . 4 ARG CA C 55.28 0.015 1 45 . 4 ARG CB C 28.75 0.015 1 46 . 4 ARG CD C 43.08 0.015 1 47 . 4 ARG HA H 4.161 0.02 1 48 . 4 ARG HB2 H 2.226 0.02 2 49 . 4 ARG HB3 H 1.755 0.02 2 50 . 4 ARG HD2 H 3.314 0.02 1 51 . 4 ARG HD3 H 3.314 0.02 1 52 . 4 ARG HG2 H 1.85 0.02 2 53 . 4 ARG HG3 H 1.93 0.02 2 54 . 4 ARG N N 122.16 0.015 1 55 . 5 PRO HA H 3.915 0.02 1 56 . 5 PRO HB2 H 2.083 0.02 1 57 . 5 PRO HB3 H 2.083 0.02 1 58 . 5 PRO HD2 H 3.882 0.02 2 59 . 5 PRO HD3 H 3.799 0.02 2 60 . 5 PRO C C 177.37 0.015 1 61 . 5 PRO CA C 67.75 0.015 1 62 . 5 PRO CB C 32.27 0.015 1 63 . 5 PRO CG C 29.71 0.015 1 64 . 5 PRO CD C 50.35 0.015 1 65 . 6 ASP H H 8.995 0.02 1 66 . 6 ASP HA H 4.576 0.02 1 67 . 6 ASP HB2 H 2.715 0.02 2 68 . 6 ASP HB3 H 2.585 0.02 2 69 . 6 ASP C C 178.36 0.015 1 70 . 6 ASP CA C 57.94 0.015 1 71 . 6 ASP CB C 39.87 0.015 1 72 . 6 ASP N N 114.77 0.015 1 73 . 7 GLU H H 7.332 0.02 1 74 . 7 GLU HA H 4.040 0.02 1 75 . 7 GLU HB2 H 2.486 0.02 2 76 . 7 GLU HB3 H 1.912 0.02 2 77 . 7 GLU HG2 H 2.315 0.02 2 78 . 7 GLU HG3 H 2.176 0.02 2 79 . 7 GLU C C 179.49 0.015 1 80 . 7 GLU CA C 58.99 0.015 1 81 . 7 GLU CB C 30.28 0.015 1 82 . 7 GLU CG C 37.61 0.015 1 83 . 7 GLU N N 119.00 0.015 1 84 . 8 VAL H H 8.038 0.02 1 85 . 8 VAL HA H 3.153 0.02 1 86 . 8 VAL HB H 2.340 0.02 1 87 . 8 VAL HG2 H 0.928 0.02 1 88 . 8 VAL HG1 H 0.739 0.02 1 89 . 8 VAL C C 177.50 0.015 1 90 . 8 VAL CA C 66.55 0.015 1 91 . 8 VAL CB C 31.21 0.015 1 92 . 8 VAL CG2 C 23.75 0.015 1 93 . 8 VAL CG1 C 21.94 0.015 1 94 . 8 VAL N N 120.16 0.015 1 95 . 9 ALA H H 8.165 0.02 1 96 . 9 ALA HA H 3.342 0.02 1 97 . 9 ALA HB H 1.492 0.02 1 98 . 9 ALA C C 178.10 0.015 1 99 . 9 ALA CA C 55.57 0.015 1 100 . 9 ALA CB C 17.47 0.015 1 101 . 9 ALA N N 120.92 0.015 1 102 . 10 ARG H H 7.240 0.02 1 103 . 10 ARG HA H 3.917 0.02 1 104 . 10 ARG HB2 H 1.991 0.02 2 105 . 10 ARG HB3 H 1.850 0.02 2 106 . 10 ARG HG2 H 1.988 0.02 2 107 . 10 ARG HG3 H 1.714 0.02 2 108 . 10 ARG HD2 H 3.274 0.02 2 109 . 10 ARG HD3 H 3.155 0.02 2 110 . 10 ARG C C 180.13 0.015 1 111 . 10 ARG CA C 58.81 0.015 1 112 . 10 ARG CB C 31.09 0.015 1 113 . 10 ARG CG C 26.57 0.015 1 114 . 10 ARG CD C 43.24 0.015 1 115 . 10 ARG N N 114.34 0.015 1 116 . 11 VAL H H 7.516 0.02 1 117 . 11 VAL HA H 3.459 0.02 1 118 . 11 VAL HB H 2.000 0.02 1 119 . 11 VAL HG2 H 0.954 0.02 1 120 . 11 VAL HG1 H 0.743 0.02 1 121 . 11 VAL C C 178.56 0.015 1 122 . 11 VAL CA C 66.43 0.015 1 123 . 11 VAL CB C 31.11 0.015 1 124 . 11 VAL CG2 C 23.08 0.015 1 125 . 11 VAL CG1 C 22.47 0.015 1 126 . 11 VAL N N 120.91 0.015 1 127 . 12 LEU H H 7.988 0.02 1 128 . 12 LEU HA H 3.420 0.02 1 129 . 12 LEU HB2 H 1.166 0.02 2 130 . 12 LEU HB3 H 0.057 0.02 2 131 . 12 LEU HG H 1.134 0.02 1 132 . 12 LEU HD1 H -0.184 0.02 1 133 . 12 LEU HD2 H -0.292 0.02 1 134 . 12 LEU C C 179.51 0.015 1 135 . 12 LEU CA C 57.87 0.015 1 136 . 12 LEU CB C 39.76 0.015 1 137 . 12 LEU CG C 25.86 0.015 1 138 . 12 LEU CD1 C 26.90 0.015 1 139 . 12 LEU CD2 C 22.98 0.015 1 140 . 12 LEU N N 120.22 0.015 1 141 . 13 GLU H H 7.790 0.02 1 142 . 13 GLU HA H 4.550 0.02 1 143 . 13 GLU HB2 H 2.135 0.02 2 144 . 13 GLU HB3 H 2.019 0.02 2 145 . 13 GLU HG2 H 2.572 0.02 2 146 . 13 GLU HG3 H 2.515 0.02 2 147 . 13 GLU C C 181.76 0.015 1 148 . 13 GLU CA C 58.30 0.015 1 149 . 13 GLU CB C 28.71 0.015 1 150 . 13 GLU CG C 37.78 0.015 1 151 . 13 GLU N N 119.26 0.015 1 152 . 14 LYS H H 7.815 0.02 1 153 . 14 LYS HA H 4.078 0.02 1 154 . 14 LYS HB2 H 2.031 0.02 2 155 . 14 LYS HB3 H 1.906 0.02 2 156 . 14 LYS HG2 H 1.480 0.02 1 157 . 14 LYS HG3 H 1.480 0.02 1 158 . 14 LYS HD2 H 1.652 0.02 2 159 . 14 LYS HD3 H 1.616 0.02 2 160 . 14 LYS HE2 H 2.960 0.02 2 161 . 14 LYS HE3 H 2.908 0.02 2 162 . 14 LYS C C 177.62 0.015 1 163 . 14 LYS CA C 58.71 0.015 1 164 . 14 LYS CB C 31.82 0.015 1 165 . 14 LYS CG C 24.96 0.015 1 166 . 14 LYS CD C 29.00 0.015 1 167 . 14 LYS CE C 41.97 0.015 1 168 . 14 LYS N N 123.43 0.015 1 169 . 15 ALA H H 7.709 0.02 1 170 . 15 ALA HA H 4.445 0.02 1 171 . 15 ALA HB H 1.561 0.02 1 172 . 15 ALA C C 176.85 0.015 1 173 . 15 ALA CA C 51.93 0.015 1 174 . 15 ALA CB C 18.22 0.015 1 175 . 15 ALA N N 120.22 0.015 1 176 . 16 GLY H H 7.792 0.02 1 177 . 16 GLY HA2 H 4.193 0.02 2 178 . 16 GLY HA3 H 3.648 0.02 2 179 . 16 GLY C C 175.25 0.015 1 180 . 16 GLY CA C 45.24 0.015 1 181 . 16 GLY N N 105.89 0.015 1 182 . 17 PHE H H 8.349 0.02 1 183 . 17 PHE HA H 4.566 0.02 1 184 . 17 PHE HB2 H 2.648 0.02 2 185 . 17 PHE HB3 H 2.584 0.02 2 186 . 17 PHE C C 175.94 0.015 1 187 . 17 PHE CA C 57.11 0.015 1 188 . 17 PHE CB C 40.13 0.015 1 189 . 17 PHE N N 119.57 0.015 1 190 . 17 PHE CD1 C 132.7 0.015 1 191 . 17 PHE CD2 C 132.7 0.015 1 192 . 17 PHE CE1 C 130.5 0.015 1 193 . 17 PHE CE2 C 130.5 0.015 1 194 . 17 PHE HD1 H 6.84 0.02 1 195 . 17 PHE HD2 H 6.84 0.02 1 196 . 17 PHE HE1 H 6.56 0.02 1 197 . 17 PHE HE2 H 6.56 0.02 1 198 . 17 PHE CZ C 129.6 0.015 1 199 . 17 PHE HZ H 6.11 0.02 1 200 . 18 THR H H 9.264 0.02 1 201 . 18 THR HA H 4.788 0.02 1 202 . 18 THR HB H 4.001 0.02 1 203 . 18 THR HG2 H 1.181 0.02 1 204 . 18 THR C C 174.28 0.015 1 205 . 18 THR CA C 59.98 0.015 1 206 . 18 THR CB C 71.25 0.015 1 207 . 18 THR CG2 C 21.53 0.015 1 208 . 18 THR N N 114.50 0.015 1 209 . 19 VAL H H 8.759 0.02 1 210 . 19 VAL HA H 3.020 0.02 1 211 . 19 VAL HB H 1.503 0.02 1 212 . 19 VAL HG1 H 0.658 0.02 1 213 . 19 VAL HG2 H 0.456 0.02 1 214 . 19 VAL C C 174.29 0.015 1 215 . 19 VAL CA C 62.92 0.015 1 216 . 19 VAL CB C 31.66 0.015 1 217 . 19 VAL CG1 C 19.81 0.015 1 218 . 19 VAL CG2 C 22.72 0.015 1 219 . 19 VAL N N 127.66 0.015 1 220 . 20 ASP H H 9.048 0.02 1 221 . 20 ASP HA H 4.793 0.02 1 222 . 20 ASP HB2 H 2.382 0.02 1 223 . 20 ASP HB3 H 2.382 0.02 1 224 . 20 ASP C C 174.63 0.015 1 225 . 20 ASP CA C 54.38 0.015 1 226 . 20 ASP CB C 44.09 0.015 1 227 . 20 ASP N N 128.51 0.015 1 228 . 21 VAL H H 7.313 0.02 1 229 . 21 VAL HA H 4.398 0.02 1 230 . 21 VAL HB H 2.003 0.02 1 231 . 21 VAL HG2 H 1.018 0.02 1 232 . 21 VAL HG1 H 1.014 0.02 1 233 . 21 VAL C C 173.47 0.015 1 234 . 21 VAL CA C 61.14 0.015 1 235 . 21 VAL CB C 35.48 0.015 1 236 . 21 VAL CG2 C 21.12 0.015 1 237 . 21 VAL CG1 C 20.38 0.015 1 238 . 21 VAL N N 115.89 0.015 1 239 . 22 VAL H H 8.492 0.02 1 240 . 22 VAL HA H 4.799 0.02 1 241 . 22 VAL HB H 2.009 0.02 1 242 . 22 VAL HG1 H 1.020 0.02 1 243 . 22 VAL HG2 H 1.020 0.02 1 244 . 22 VAL CG1 C 21.12 0.015 1 245 . 22 VAL CG2 C 21.12 0.015 1 246 . 22 VAL C C 175.51 0.015 1 247 . 22 VAL CA C 62.36 0.015 1 248 . 22 VAL CB C 34.48 0.015 1 249 . 22 VAL N N 125.86 0.015 1 250 . 23 THR H H 9.411 0.02 1 251 . 23 THR HA H 4.946 0.02 1 252 . 23 THR HB H 4.640 0.02 1 253 . 23 THR HG2 H 0.930 0.02 1 254 . 23 THR C C 174.38 0.015 1 255 . 23 THR CA C 58.46 0.015 1 256 . 23 THR CB C 72.30 0.015 1 257 . 23 THR CG2 C 21.03 0.015 1 258 . 23 THR N N 119.75 0.015 1 259 . 24 ASN H H 9.067 0.02 1 260 . 24 ASN HA H 4.261 0.02 1 261 . 24 ASN HB2 H 2.796 0.02 1 262 . 24 ASN HB3 H 2.796 0.02 1 263 . 24 ASN HD21 H 7.608 0.02 1 264 . 24 ASN HD22 H 6.880 0.02 1 265 . 24 ASN C C 176.12 0.015 1 266 . 24 ASN CA C 55.96 0.015 1 267 . 24 ASN CB C 37.04 0.015 1 268 . 24 ASN N N 115.63 0.015 1 269 . 24 ASN ND2 N 113.24 0.015 1 270 . 25 LYS H H 8.136 0.02 1 271 . 25 LYS HA H 4.227 0.02 1 272 . 25 LYS HB2 H 1.575 0.02 2 273 . 25 LYS HB3 H 1.367 0.02 2 274 . 25 LYS HD2 H 1.145 0.02 2 275 . 25 LYS HD3 H 0.446 0.02 2 276 . 25 LYS HG2 H 1.115 0.02 2 277 . 25 LYS HG3 H 1.044 0.02 2 278 . 25 LYS HE2 H 2.592 0.02 2 279 . 25 LYS HE3 H 2.507 0.02 2 280 . 25 LYS C C 177.62 0.015 1 281 . 25 LYS CA C 57.54 0.015 1 282 . 25 LYS CB C 35.02 0.015 1 283 . 25 LYS CG C 25.77 0.015 1 284 . 25 LYS CD C 29.50 0.015 1 285 . 25 LYS CE C 41.49 0.015 1 286 . 25 LYS N N 114.27 0.015 1 287 . 26 THR H H 8.004 0.02 1 288 . 26 THR HA H 5.634 0.02 1 289 . 26 THR HB H 3.950 0.02 1 290 . 26 THR HG2 H 1.225 0.02 1 291 . 26 THR C C 171.08 0.015 1 292 . 26 THR CA C 60.22 0.015 1 293 . 26 THR CB C 72.81 0.015 1 294 . 26 THR CG2 C 21.10 0.015 1 295 . 26 THR N N 116.70 0.015 1 296 . 27 TYR H H 8.102 0.02 1 297 . 27 TYR HA H 5.750 0.02 1 298 . 27 TYR HB2 H 3.064 0.02 2 299 . 27 TYR HB3 H 2.942 0.02 2 300 . 27 TYR C C 176.35 0.015 1 301 . 27 TYR CA C 55.28 0.015 1 302 . 27 TYR CB C 42.66 0.015 1 303 . 27 TYR N N 119.51 0.015 1 304 . 27 TYR CD1 C 132.9 0.015 1 305 . 27 TYR CD2 C 132.9 0.015 1 306 . 27 TYR CE1 C 117.9 0.015 1 307 . 27 TYR CE2 C 117.9 0.015 1 308 . 27 TYR HD1 H 7.10 0.02 1 309 . 27 TYR HD2 H 7.10 0.02 1 310 . 27 TYR HE1 H 6.81 0.02 1 311 . 27 TYR HE2 H 6.81 0.02 1 312 . 28 GLY H H 9.658 0.02 1 313 . 28 GLY HA2 H 4.621 0.02 2 314 . 28 GLY HA3 H 3.795 0.02 2 315 . 28 GLY C C 171.91 0.015 1 316 . 28 GLY CA C 45.75 0.015 1 317 . 28 GLY N N 113.31 0.015 1 318 . 29 TYR H H 8.584 0.02 1 319 . 29 TYR HA H 4.679 0.02 1 320 . 29 TYR HB2 H 2.495 0.02 2 321 . 29 TYR HB3 H 2.160 0.02 2 322 . 29 TYR C C 172.74 0.015 1 323 . 29 TYR CA C 57.53 0.015 1 324 . 29 TYR CB C 43.94 0.015 1 325 . 29 TYR N N 126.81 0.015 1 326 . 29 TYR CD1 C 131.7 0.015 1 327 . 29 TYR CD2 C 131.7 0.015 1 328 . 29 TYR CE1 C 118.1 0.015 1 329 . 29 TYR CE2 C 118.1 0.015 1 330 . 29 TYR HD1 H 6.45 0.02 1 331 . 29 TYR HD2 H 6.45 0.02 1 332 . 29 TYR HE1 H 6.43 0.02 1 333 . 29 TYR HE2 H 6.43 0.02 1 334 . 30 ARG H H 8.682 0.02 1 335 . 30 ARG HA H 5.028 0.02 1 336 . 30 ARG HB2 H 1.675 0.02 2 337 . 30 ARG HB3 H 1.636 0.02 2 338 . 30 ARG HG2 H 1.635 0.02 2 339 . 30 ARG HG3 H 1.485 0.02 2 340 . 30 ARG HD2 H 3.261 0.02 2 341 . 30 ARG HD3 H 3.144 0.02 2 342 . 30 ARG C C 175.35 0.015 1 343 . 30 ARG CA C 53.57 0.015 1 344 . 30 ARG CB C 35.03 0.015 1 345 . 30 ARG CG C 27.17 0.015 1 346 . 30 ARG CD C 43.46 0.015 1 347 . 30 ARG N N 118.97 0.015 1 348 . 30 ARG NE N 83.57 0.015 1 349 . 30 ARG HE H 7.310 0.02 1 350 . 31 ARG H H 8.076 0.02 1 351 . 31 ARG HA H 3.979 0.02 1 352 . 31 ARG HB2 H 0.522 0.02 2 353 . 31 ARG HB3 H -0.266 0.02 2 354 . 31 ARG HD2 H 2.919 0.02 2 355 . 31 ARG HD3 H 1.966 0.02 2 356 . 31 ARG HG2 H 1.234 0.02 2 357 . 31 ARG HG3 H 0.834 0.02 2 358 . 31 ARG C C 175.75 0.015 1 359 . 31 ARG CA C 56.39 0.015 1 360 . 31 ARG CB C 30.76 0.015 1 361 . 31 ARG CG C 25.68 0.015 1 362 . 31 ARG CD C 43.41 0.015 1 363 . 31 ARG N N 124.71 0.015 1 364 . 31 ARG NE N 84.79 0.015 1 365 . 31 ARG HE H 6.965 0.02 1 366 . 32 GLY H H 9.272 0.02 1 367 . 32 GLY HA2 H 3.889 0.02 2 368 . 32 GLY HA3 H 3.558 0.02 2 369 . 32 GLY C C 175.08 0.015 1 370 . 32 GLY CA C 46.99 0.015 1 371 . 32 GLY N N 120.57 0.015 1 372 . 33 GLU H H 9.237 0.02 1 373 . 33 GLU HA H 4.284 0.02 1 374 . 33 GLU HB2 H 2.156 0.02 2 375 . 33 GLU HB3 H 1.874 0.02 2 376 . 33 GLU HG2 H 2.210 0.02 1 377 . 33 GLU HG3 H 2.210 0.02 1 378 . 33 GLU C C 176.72 0.015 1 379 . 33 GLU CA C 56.47 0.015 1 380 . 33 GLU CB C 29.69 0.015 1 381 . 33 GLU CG C 36.11 0.015 1 382 . 33 GLU N N 126.53 0.015 1 383 . 34 ASN H H 8.208 0.02 1 384 . 34 ASN HA H 4.995 0.02 1 385 . 34 ASN HB2 H 2.418 0.02 2 386 . 34 ASN HB3 H 1.848 0.02 2 387 . 34 ASN HD21 H 7.709 0.02 1 388 . 34 ASN HD22 H 7.597 0.02 1 389 . 34 ASN C C 173.56 0.015 1 390 . 34 ASN CA C 53.52 0.015 1 391 . 34 ASN CB C 40.79 0.015 1 392 . 34 ASN N N 118.49 0.015 1 393 . 34 ASN ND2 N 116.99 0.015 1 394 . 35 TYR H H 8.481 0.02 1 395 . 35 TYR HA H 5.223 0.02 1 396 . 35 TYR HB2 H 3.287 0.02 2 397 . 35 TYR HB3 H 2.656 0.02 2 398 . 35 TYR C C 174.83 0.015 1 399 . 35 TYR CA C 57.46 0.015 1 400 . 35 TYR CB C 43.96 0.015 1 401 . 35 TYR N N 126.49 0.015 1 402 . 35 TYR CD1 C 132.8 0.015 1 403 . 35 TYR CD2 C 132.8 0.015 1 404 . 35 TYR CE1 C 117.5 0.015 1 405 . 35 TYR CE2 C 117.5 0.015 1 406 . 35 TYR HD1 H 6.43 0.02 1 407 . 35 TYR HD2 H 6.43 0.02 1 408 . 35 TYR HE1 H 5.93 0.02 1 409 . 35 TYR HE2 H 5.93 0.02 1 410 . 36 VAL H H 8.746 0.02 1 411 . 36 VAL HA H 5.194 0.02 1 412 . 36 VAL HB H 2.099 0.02 1 413 . 36 VAL HG1 H 0.940 0.02 1 414 . 36 VAL HG2 H 0.295 0.02 1 415 . 36 VAL C C 172.81 0.015 1 416 . 36 VAL CA C 58.85 0.015 1 417 . 36 VAL CB C 35.71 0.015 1 418 . 36 VAL CG1 C 23.22 0.015 1 419 . 36 VAL CG2 C 20.57 0.015 1 420 . 36 VAL N N 119.79 0.015 1 421 . 37 TYR H H 8.162 0.02 1 422 . 37 TYR HA H 5.496 0.02 1 423 . 37 TYR HB2 H 2.587 0.02 2 424 . 37 TYR HB3 H 1.556 0.02 2 425 . 37 TYR C C 175.33 0.015 1 426 . 37 TYR CA C 56.93 0.015 1 427 . 37 TYR CB C 40.59 0.015 1 428 . 37 TYR HD1 H 6.435 0.02 1 429 . 37 TYR HD2 H 6.435 0.02 1 430 . 37 TYR HE1 H 5.932 0.02 1 431 . 37 TYR HE2 H 5.932 0.02 1 432 . 37 TYR CE1 C 117.4 0.015 1 433 . 37 TYR CE2 C 117.4 0.015 1 434 . 37 TYR CD1 C 132.7 0.015 1 435 . 37 TYR CD2 C 132.7 0.015 1 436 . 37 TYR N N 116.01 0.015 1 437 . 38 VAL H H 9.751 0.02 1 438 . 38 VAL HA H 5.093 0.02 1 439 . 38 VAL HB H 2.437 0.02 1 440 . 38 VAL HG1 H 1.092 0.02 1 441 . 38 VAL HG2 H 0.898 0.02 1 442 . 38 VAL C C 177.27 0.015 1 443 . 38 VAL CA C 60.33 0.015 1 444 . 38 VAL CB C 33.50 0.015 1 445 . 38 VAL CG1 C 21.76 0.015 1 446 . 38 VAL CG2 C 22.53 0.015 1 447 . 38 VAL N N 120.50 0.015 1 448 . 39 ASN H H 9.692 0.02 1 449 . 39 ASN HA H 4.953 0.02 1 450 . 39 ASN HB2 H 3.613 0.02 2 451 . 39 ASN HB3 H 2.825 0.02 2 452 . 39 ASN HD21 H 7.371 0.02 2 453 . 39 ASN HD22 H 7.281 0.02 2 454 . 39 ASN C C 175.51 0.015 1 455 . 39 ASN CA C 51.77 0.015 1 456 . 39 ASN CB C 37.92 0.015 1 457 . 39 ASN N N 129.28 0.015 1 458 . 39 ASN ND2 N 113.52 0.015 1 459 . 40 ARG H H 8.213 0.02 1 460 . 40 ARG HA H 3.667 0.02 1 461 . 40 ARG HB2 H 1.983 0.02 2 462 . 40 ARG HB3 H 1.133 0.02 2 463 . 40 ARG HG2 H 1.169 0.02 2 464 . 40 ARG HG3 H 0.979 0.02 2 465 . 40 ARG HD2 H 2.351 0.02 2 466 . 40 ARG HD3 H 1.659 0.02 2 467 . 40 ARG C C 176.73 0.015 1 468 . 40 ARG CA C 58.47 0.015 1 469 . 40 ARG CB C 30.25 0.015 1 470 . 40 ARG CG C 27.55 0.015 1 471 . 40 ARG CD C 42.94 0.015 1 472 . 40 ARG N N 123.88 0.015 1 473 . 40 ARG NE N 85.57 0.015 1 474 . 40 ARG HE H 7.525 0.02 1 475 . 41 GLU H H 7.639 0.02 1 476 . 41 GLU HA H 4.157 0.02 1 477 . 41 GLU HB2 H 2.170 0.02 2 478 . 41 GLU HB3 H 2.260 0.02 2 479 . 41 GLU HG2 H 2.260 0.02 2 480 . 41 GLU HG3 H 2.100 0.02 2 481 . 41 GLU C C 176.63 0.015 1 482 . 41 GLU CA C 56.70 0.015 1 483 . 41 GLU CB C 29.39 0.015 1 484 . 41 GLU CG C 37.67 0.015 1 485 . 41 GLU N N 113.90 0.015 1 486 . 42 ALA H H 6.767 0.02 1 487 . 42 ALA HA H 4.625 0.02 1 488 . 42 ALA HB H 1.189 0.02 1 489 . 42 ALA C C 177.44 0.015 1 490 . 42 ALA CA C 50.45 0.015 1 491 . 42 ALA CB C 16.53 0.015 1 492 . 42 ALA N N 122.59 0.015 1 493 . 43 ARG H H 7.900 0.02 1 494 . 43 ARG HA H 3.851 0.02 1 495 . 43 ARG HB2 H 1.876 0.02 1 496 . 43 ARG HB3 H 1.876 0.02 1 497 . 43 ARG HD2 H 3.231 0.02 1 498 . 43 ARG HD3 H 3.231 0.02 1 499 . 43 ARG HG2 H 1.726 0.02 2 500 . 43 ARG HG3 H 1.670 0.02 2 501 . 43 ARG C C 177.77 0.015 1 502 . 43 ARG CA C 59.41 0.015 1 503 . 43 ARG CB C 30.08 0.015 1 504 . 43 ARG CG C 27.89 0.015 1 505 . 43 ARG CD C 42.93 0.015 1 506 . 43 ARG N N 123.43 0.015 1 507 . 44 MET H H 8.325 0.02 1 508 . 44 MET HA H 4.713 0.02 1 509 . 44 MET HB2 H 2.294 0.02 1 510 . 44 MET HB3 H 2.294 0.02 1 511 . 44 MET HG2 H 2.693 0.02 2 512 . 44 MET HG3 H 2.478 0.02 2 513 . 44 MET C C 177.07 0.015 1 514 . 44 MET CA C 54.35 0.015 1 515 . 44 MET CB C 31.98 0.015 1 516 . 44 MET CG C 32.75 0.015 1 517 . 44 MET N N 114.03 0.015 1 518 . 45 GLY H H 7.869 0.02 1 519 . 45 GLY HA2 H 4.430 0.02 2 520 . 45 GLY HA3 H 3.501 0.02 2 521 . 45 GLY C C 174.73 0.015 1 522 . 45 GLY CA C 46.48 0.015 1 523 . 45 GLY N N 105.01 0.015 1 524 . 46 ARG H H 8.071 0.02 1 525 . 46 ARG HA H 2.763 0.02 1 526 . 46 ARG HB2 H 1.658 0.02 2 527 . 46 ARG HB3 H 1.575 0.02 2 528 . 46 ARG HG2 H 1.225 0.02 2 529 . 46 ARG HG3 H 1.137 0.02 2 530 . 46 ARG HD2 H 2.960 0.02 1 531 . 46 ARG HD3 H 2.960 0.02 1 532 . 46 ARG C C 175.09 0.015 1 533 . 46 ARG CA C 59.67 0.015 1 534 . 46 ARG CB C 30.08 0.015 1 535 . 46 ARG CG C 27.79 0.015 1 536 . 46 ARG CD C 42.67 0.015 1 537 . 46 ARG N N 123.70 0.015 1 538 . 47 THR H H 6.177 0.02 1 539 . 47 THR HA H 4.063 0.02 1 540 . 47 THR HB H 4.260 0.02 1 541 . 47 THR HG2 H 0.813 0.02 1 542 . 47 THR C C 174.07 0.015 1 543 . 47 THR CA C 57.56 0.015 1 544 . 47 THR CB C 67.29 0.015 1 545 . 47 THR CG2 C 21.17 0.015 1 546 . 47 THR N N 100.01 0.015 1 547 . 48 ALA H H 6.317 0.02 1 548 . 48 ALA HA H 4.288 0.02 1 549 . 48 ALA HB H 1.539 0.02 1 550 . 48 ALA C C 176.76 0.015 1 551 . 48 ALA CA C 55.60 0.015 1 552 . 48 ALA CB C 21.16 0.015 1 553 . 48 ALA N N 119.12 0.015 1 554 . 49 LEU H H 9.154 0.02 1 555 . 49 LEU HA H 5.150 0.02 1 556 . 49 LEU HB2 H 2.091 0.02 2 557 . 49 LEU HB3 H 1.111 0.02 2 558 . 49 LEU HG H 1.514 0.02 1 559 . 49 LEU CG C 27.66 0.015 1 560 . 49 LEU HD2 H 0.806 0.02 1 561 . 49 LEU HD1 H 0.729 0.02 1 562 . 49 LEU C C 173.96 0.015 1 563 . 49 LEU CA C 53.98 0.015 1 564 . 49 LEU CB C 45.26 0.015 1 565 . 49 LEU CD2 C 27.56 0.015 1 566 . 49 LEU CD1 C 24.06 0.015 1 567 . 49 LEU N N 118.59 0.015 1 568 . 50 ILE H H 9.661 0.02 1 569 . 50 ILE HA H 4.674 0.02 1 570 . 50 ILE HB H 2.175 0.02 1 571 . 50 ILE HG12 H 1.480 0.02 2 572 . 50 ILE HG13 H 1.260 0.02 2 573 . 50 ILE HG2 H 0.784 0.02 1 574 . 50 ILE HD1 H 0.694 0.02 1 575 . 50 ILE C C 176.02 0.015 1 576 . 50 ILE CA C 58.75 0.015 1 577 . 50 ILE CB C 36.10 0.015 1 578 . 50 ILE CG1 C 24.59 0.015 1 579 . 50 ILE CG2 C 17.30 0.015 1 580 . 50 ILE CD1 C 10.08 0.015 1 581 . 50 ILE N N 129.28 0.015 1 582 . 51 ILE H H 8.111 0.02 1 583 . 51 ILE HA H 5.186 0.02 1 584 . 51 ILE HB H 2.204 0.02 1 585 . 51 ILE HG12 H 1.638 0.02 2 586 . 51 ILE HG13 H 1.423 0.02 2 587 . 51 ILE HG2 H 1.043 0.02 1 588 . 51 ILE HD1 H 0.851 0.02 1 589 . 51 ILE C C 175.724 0.015 1 590 . 51 ILE CA C 58.90 0.015 1 591 . 51 ILE CB C 41.19 0.015 1 592 . 51 ILE CG1 C 26.40 0.015 1 593 . 51 ILE CG2 C 17.75 0.015 1 594 . 51 ILE CD1 C 13.99 0.015 1 595 . 51 ILE N N 119.94 0.015 1 596 . 52 HIS H H 9.587 0.02 1 597 . 52 HIS HA H 2.702 0.02 1 598 . 52 HIS HB2 H 3.080 0.02 2 599 . 52 HIS HB3 H 2.839 0.02 2 600 . 52 HIS C C 175.338 0.015 1 601 . 52 HIS CA C 55.71 0.015 1 602 . 52 HIS CB C 31.92 0.015 1 603 . 52 HIS N N 126.69 0.015 1 604 . 52 HIS CD2 C 118.3 0.015 1 605 . 52 HIS HD2 H 7.288 0.02 1 606 . 52 HIS CE1 C 138.0 0.015 1 607 . 52 HIS HE1 H 7.915 0.02 1 608 . 53 PRO HA H 4.159 0.02 1 609 . 53 PRO HB2 H 2.210 0.02 2 610 . 53 PRO HB3 H 1.941 0.02 2 611 . 53 PRO HG2 H 1.125 0.02 2 612 . 53 PRO HG3 H 0.977 0.02 2 613 . 53 PRO HD2 H 3.317 0.02 2 614 . 53 PRO HD3 H 2.065 0.02 2 615 . 53 PRO CA C 65.22 0.015 1 616 . 53 PRO CB C 32.33 0.015 1 617 . 53 PRO CG C 28.39 0.015 1 618 . 53 PRO CD C 50.50 0.015 1 619 . 53 PRO C C 179.21 0.015 1 620 . 54 ARG H H 11.935 0.02 1 621 . 54 ARG C C 178.26 0.015 1 622 . 54 ARG CA C 58.30 0.015 1 623 . 54 ARG CB C 28.76 0.015 1 624 . 54 ARG CG C 27.52 0.015 1 625 . 54 ARG CD C 42.90 0.015 1 626 . 54 ARG HA H 4.422 0.02 1 627 . 54 ARG HB2 H 2.046 0.02 2 628 . 54 ARG HB3 H 1.824 0.02 2 629 . 54 ARG HG2 H 1.494 0.02 2 630 . 54 ARG HG3 H 1.380 0.02 2 631 . 54 ARG HD2 H 2.998 0.02 2 632 . 54 ARG HD3 H 2.682 0.02 2 633 . 54 ARG N N 124.60 0.015 1 634 . 54 ARG NE N 84.12 0.015 1 635 . 54 ARG HE H 7.062 0.02 1 636 . 55 LEU H H 8.329 0.02 1 637 . 55 LEU HA H 4.531 0.02 1 638 . 55 LEU HB2 H 2.060 0.02 2 639 . 55 LEU HB3 H 1.697 0.02 2 640 . 55 LEU HG H 1.613 0.02 1 641 . 55 LEU HD1 H 1.137 0.02 1 642 . 55 LEU HD2 H 0.834 0.02 1 643 . 55 LEU C C 176.05 0.015 1 644 . 55 LEU CA C 54.24 0.015 1 645 . 55 LEU CB C 41.97 0.015 1 646 . 55 LEU CG C 27.48 0.015 1 647 . 55 LEU CD1 C 26.94 0.015 1 648 . 55 LEU CD2 C 22.55 0.015 1 649 . 55 LEU N N 120.20 0.015 1 650 . 56 LYS H H 7.655 0.02 1 651 . 56 LYS HA H 3.723 0.02 1 652 . 56 LYS HB2 H 2.134 0.02 2 653 . 56 LYS HB3 H 1.942 0.02 2 654 . 56 LYS HG2 H 1.536 0.02 2 655 . 56 LYS HG3 H 1.400 0.02 2 656 . 56 LYS HD2 H 1.806 0.02 1 657 . 56 LYS HD3 H 1.806 0.02 1 658 . 56 LYS HE2 H 3.073 0.02 1 659 . 56 LYS HE3 H 3.073 0.02 1 660 . 56 LYS C C 178.58 0.015 1 661 . 56 LYS CA C 61.08 0.015 1 662 . 56 LYS CB C 33.71 0.015 1 663 . 56 LYS CG C 24.46 0.015 1 664 . 56 LYS CD C 29.68 0.015 1 665 . 56 LYS CE C 41.96 0.015 1 666 . 56 LYS N N 120.80 0.015 1 667 . 57 ASP H H 8.757 0.02 1 668 . 57 ASP HA H 4.464 0.02 1 669 . 57 ASP HB2 H 2.691 0.02 1 670 . 57 ASP HB3 H 2.691 0.02 1 671 . 57 ASP C C 179.43 0.015 1 672 . 57 ASP CA C 57.64 0.015 1 673 . 57 ASP CB C 39.83 0.015 1 674 . 57 ASP N N 119.02 0.015 1 675 . 58 ARG H H 8.469 0.02 1 676 . 58 ARG HA H 4.020 0.02 1 677 . 58 ARG HB2 H 1.788 0.02 2 678 . 58 ARG HB3 H 1.590 0.02 2 679 . 58 ARG HG2 H 1.684 0.02 2 680 . 58 ARG HG3 H 1.486 0.02 2 681 . 58 ARG HD2 H 3.238 0.02 2 682 . 58 ARG HD3 H 3.121 0.02 2 683 . 58 ARG C C 178.72 0.015 1 684 . 58 ARG CA C 59.14 0.015 1 685 . 58 ARG CB C 30.17 0.015 1 686 . 58 ARG CG C 27.67 0.015 1 687 . 58 ARG CD C 43.43 0.015 1 688 . 58 ARG N N 123.28 0.015 1 689 . 58 ARG NE N 83.68 0.015 1 690 . 58 ARG HE H 7.154 0.02 1 691 . 59 SER H H 8.601 0.02 1 692 . 59 SER HA H 3.895 0.02 1 693 . 59 SER HB2 H 4.011 0.02 2 694 . 59 SER HB3 H 3.598 0.02 2 695 . 59 SER C C 177.67 0.015 1 696 . 59 SER CA C 60.88 0.015 1 697 . 59 SER CB C 63.03 0.015 1 698 . 59 SER N N 110.24 0.015 1 699 . 60 SER H H 8.091 0.02 1 700 . 60 SER HA H 4.431 0.02 1 701 . 60 SER HB2 H 4.255 0.02 2 702 . 60 SER HB3 H 4.065 0.02 2 703 . 60 SER C C 175.61 0.015 1 704 . 60 SER CA C 61.65 0.015 1 705 . 60 SER CB C 62.80 0.015 1 706 . 60 SER N N 113.83 0.015 1 707 . 61 SER H H 7.238 0.02 1 708 . 61 SER HA H 4.458 0.02 1 709 . 61 SER HB2 H 3.947 0.02 1 710 . 61 SER HB3 H 3.947 0.02 1 711 . 61 SER C C 174.15 0.015 1 712 . 61 SER CA C 59.73 0.015 1 713 . 61 SER CB C 63.43 0.015 1 714 . 61 SER N N 114.41 0.015 1 715 . 62 LEU H H 8.111 0.02 1 716 . 62 LEU HA H 4.495 0.02 1 717 . 62 LEU HB2 H 2.172 0.02 2 718 . 62 LEU HB3 H 1.719 0.02 2 719 . 62 LEU HG H 1.694 0.02 1 720 . 62 LEU HD1 H 0.531 0.02 1 721 . 62 LEU HD2 H 0.765 0.02 1 722 . 62 LEU C C 177.462 0.015 1 723 . 62 LEU CA C 55.78 0.015 1 724 . 62 LEU CB C 44.24 0.015 1 725 . 62 LEU CG C 26.43 0.015 1 726 . 62 LEU CD1 C 26.35 0.015 1 727 . 62 LEU CD2 C 22.51 0.015 1 728 . 62 LEU N N 121.53 0.015 1 729 . 63 ALA H H 8.370 0.02 1 730 . 63 ALA HA H 4.494 0.02 1 731 . 63 ALA HB H 1.364 0.02 1 732 . 63 ALA C C 175.63 0.015 1 733 . 63 ALA CA C 52.11 0.015 1 734 . 63 ALA CB C 22.32 0.015 1 735 . 63 ALA N N 120.51 0.015 1 736 . 64 ASP H H 8.654 0.02 1 737 . 64 ASP HA H 5.194 0.02 1 738 . 64 ASP HB2 H 2.588 0.02 2 739 . 64 ASP HB3 H 2.448 0.02 2 740 . 64 ASP C C 174.11 0.015 1 741 . 64 ASP CA C 51.63 0.015 1 742 . 64 ASP CB C 40.38 0.015 1 743 . 64 ASP N N 121.96 0.015 1 744 . 65 PRO HA H 3.834 0.02 1 745 . 65 PRO HB2 H 1.859 0.02 1 746 . 65 PRO HB3 H 1.859 0.02 1 747 . 65 PRO HG2 H 1.982 0.02 2 748 . 65 PRO HG3 H 1.809 0.02 2 749 . 65 PRO HD2 H 3.975 0.02 2 750 . 65 PRO HD3 H 3.674 0.02 2 751 . 65 PRO C C 176.91 0.015 1 752 . 65 PRO CA C 62.22 0.015 1 753 . 65 PRO CB C 32.64 0.015 1 754 . 65 PRO CG C 26.94 0.015 1 755 . 65 PRO CD C 50.84 0.015 1 756 . 66 ALA H H 8.454 0.02 1 757 . 66 ALA HA H 3.921 0.02 1 758 . 66 ALA HB H 1.052 0.02 1 759 . 66 ALA C C 177.81 0.015 1 760 . 66 ALA CA C 53.60 0.015 1 761 . 66 ALA CB C 20.59 0.015 1 762 . 66 ALA N N 124.53 0.015 1 763 . 67 SER H H 7.521 0.02 1 764 . 67 SER HA H 4.236 0.02 1 765 . 67 SER HB2 H 3.767 0.02 2 766 . 67 SER HB3 H 3.624 0.02 2 767 . 67 SER C C 172.42 0.015 1 768 . 67 SER CA C 56.49 0.015 1 769 . 67 SER CB C 63.86 0.015 1 770 . 67 SER N N 108.24 0.015 1 771 . 68 ASP H H 8.346 0.02 1 772 . 68 ASP HA H 4.356 0.02 1 773 . 68 ASP HB2 H 2.676 0.02 2 774 . 68 ASP HB3 H 2.596 0.02 2 775 . 68 ASP C C 176.30 0.015 1 776 . 68 ASP CA C 57.42 0.015 1 777 . 68 ASP CB C 40.78 0.015 1 778 . 68 ASP N N 117.83 0.015 1 779 . 69 ILE H H 7.537 0.02 1 780 . 69 ILE HA H 4.885 0.02 1 781 . 69 ILE HB H 1.640 0.02 1 782 . 69 ILE HG12 H 1.068 0.02 2 783 . 69 ILE HG13 H 0.810 0.02 2 784 . 69 ILE HG2 H 0.635 0.02 1 785 . 69 ILE HD1 H 0.027 0.02 1 786 . 69 ILE C C 174.77 0.015 1 787 . 69 ILE CA C 59.77 0.015 1 788 . 69 ILE CB C 44.35 0.015 1 789 . 69 ILE CG1 C 25.89 0.015 1 790 . 69 ILE CG2 C 18.42 0.015 1 791 . 69 ILE CD1 C 13.54 0.015 1 792 . 69 ILE N N 108.25 0.015 1 793 . 70 LYS H H 8.423 0.02 1 794 . 70 LYS HA H 4.723 0.02 1 795 . 70 LYS HB2 H 1.823 0.02 2 796 . 70 LYS HB3 H 1.591 0.02 2 797 . 70 LYS HG2 H 1.619 0.02 2 798 . 70 LYS HG3 H 1.410 0.02 2 799 . 70 LYS HD2 H 1.872 0.02 2 800 . 70 LYS HD3 H 1.682 0.02 2 801 . 70 LYS HE2 H 2.920 0.02 2 802 . 70 LYS HE3 H 2.808 0.02 2 803 . 70 LYS C C 175.20 0.015 1 804 . 70 LYS CA C 55.48 0.015 1 805 . 70 LYS CB C 35.08 0.015 1 806 . 70 LYS CG C 26.27 0.015 1 807 . 70 LYS CD C 28.37 0.015 1 808 . 70 LYS CE C 42.52 0.015 1 809 . 70 LYS N N 122.64 0.015 1 810 . 71 THR H H 8.546 0.02 1 811 . 71 THR HA H 5.381 0.02 1 812 . 71 THR HB H 3.933 0.02 1 813 . 71 THR HG2 H 0.802 0.02 1 814 . 71 THR C C 175.25 0.015 1 815 . 71 THR CA C 58.68 0.015 1 816 . 71 THR CB C 70.21 0.015 1 817 . 71 THR CG2 C 21.53 0.015 1 818 . 71 THR N N 116.87 0.015 1 819 . 72 CYS H H 8.265 0.02 1 820 . 72 CYS HA H 4.031 0.02 1 821 . 72 CYS HB2 H 2.427 0.02 2 822 . 72 CYS HB3 H -0.312 0.02 2 823 . 72 CYS C C 174.24 0.015 1 824 . 72 CYS CA C 59.25 0.015 1 825 . 72 CYS CB C 26.17 0.015 1 826 . 72 CYS N N 118.74 0.015 1 827 . 73 ASP H H 9.134 0.02 1 828 . 73 ASP HA H 4.611 0.02 1 829 . 73 ASP HB2 H 2.812 0.02 2 830 . 73 ASP HB3 H 2.799 0.02 2 831 . 73 ASP C C 176.38 0.015 1 832 . 73 ASP CA C 56.40 0.015 1 833 . 73 ASP CB C 38.87 0.015 1 834 . 73 ASP N N 131.03 0.015 1 835 . 74 HIS H H 7.785 0.02 1 836 . 74 HIS HA H 4.657 0.02 1 837 . 74 HIS HB2 H 3.180 0.02 2 838 . 74 HIS HB3 H 2.715 0.02 2 839 . 74 HIS C C 177.45 0.015 1 840 . 74 HIS CA C 55.37 0.015 1 841 . 74 HIS CB C 31.43 0.015 1 842 . 74 HIS N N 116.04 0.015 1 843 . 74 HIS CD2 C 117.3 0.015 1 844 . 74 HIS HD2 H 6.730 0.02 1 845 . 74 HIS CE1 C 138.2 0.015 1 846 . 74 HIS HE1 H 7.893 0.02 1 847 . 75 TYR H H 6.938 0.02 1 848 . 75 TYR HA H 3.934 0.02 1 849 . 75 TYR HB2 H 2.703 0.02 2 850 . 75 TYR HB3 H 2.321 0.02 2 851 . 75 TYR C C 177.29 0.015 1 852 . 75 TYR CA C 50.99 0.015 1 853 . 75 TYR CB C 33.26 0.015 1 854 . 75 TYR N N 121.81 0.015 1 855 . 75 TYR CD1 C 130.6 0.015 1 856 . 75 TYR CD2 C 130.6 0.015 1 857 . 75 TYR CE1 C 119.9 0.015 1 858 . 75 TYR CE2 C 119.9 0.015 1 859 . 75 TYR HD1 H 5.97 0.02 1 860 . 75 TYR HD2 H 5.97 0.02 1 861 . 75 TYR HE1 H 6.43 0.02 1 862 . 75 TYR HE2 H 6.43 0.02 1 863 . 76 GLN H H 7.352 0.02 1 864 . 76 GLN HA H 2.210 0.02 1 865 . 76 GLN HB2 H 1.880 0.02 2 866 . 76 GLN HB3 H 1.732 0.02 2 867 . 76 GLN HG2 H 2.196 0.02 2 868 . 76 GLN HG3 H 2.076 0.02 2 869 . 76 GLN HE21 H 7.575 0.02 1 870 . 76 GLN HE22 H 6.869 0.02 1 871 . 76 GLN C C 175.84 0.015 1 872 . 76 GLN CA C 59.05 0.015 1 873 . 76 GLN CB C 29.29 0.015 1 874 . 76 GLN CG C 34.14 0.015 1 875 . 76 GLN N N 118.21 0.015 1 876 . 76 GLN NE2 N 112.99 0.015 1 877 . 77 ASN H H 8.165 0.02 1 878 . 77 ASN HA H 4.669 0.02 1 879 . 77 ASN HB2 H 2.672 0.02 2 880 . 77 ASN HB3 H 1.923 0.02 2 881 . 77 ASN HD21 H 6.888 0.02 2 882 . 77 ASN HD22 H 4.608 0.02 2 883 . 77 ASN C C 174.89 0.015 1 884 . 77 ASN CA C 53.69 0.015 1 885 . 77 ASN CB C 37.46 0.015 1 886 . 77 ASN N N 111.84 0.015 1 887 . 77 ASN ND2 N 111.32 0.015 1 888 . 78 PHE H H 8.066 0.02 1 889 . 78 PHE HA H 5.159 0.02 1 890 . 78 PHE HB2 H 3.911 0.02 2 891 . 78 PHE HB3 H 3.172 0.02 2 892 . 78 PHE C C 173.95 0.015 1 893 . 78 PHE CA C 52.12 0.015 1 894 . 78 PHE CB C 35.90 0.015 1 895 . 78 PHE HD1 H 7.07 0.02 1 896 . 78 PHE HD2 H 7.07 0.02 1 897 . 78 PHE HE1 H 7.27 0.02 1 898 . 78 PHE HE2 H 7.27 0.02 1 899 . 78 PHE N N 122.37 0.015 1 900 . 79 PRO HA H 4.717 0.02 1 901 . 79 PRO HB2 H 2.560 0.02 2 902 . 79 PRO HB3 H 2.006 0.02 2 903 . 79 PRO HG2 H 1.982 0.02 2 904 . 79 PRO HG3 H 1.765 0.02 2 905 . 79 PRO HD2 H 3.027 0.02 2 906 . 79 PRO HD3 H 2.936 0.02 2 907 . 79 PRO C C 174.86 0.015 1 908 . 79 PRO CA C 62.87 0.015 1 909 . 79 PRO CB C 32.94 0.015 1 910 . 79 PRO CG C 27.92 0.015 1 911 . 79 PRO CD C 50.01 0.015 1 912 . 80 LEU H H 8.267 0.02 1 913 . 80 LEU HA H 4.111 0.02 1 914 . 80 LEU HB2 H 1.518 0.02 2 915 . 80 LEU HB3 H 0.957 0.02 2 916 . 80 LEU HG H 1.414 0.02 1 917 . 80 LEU HD1 H 0.693 0.02 1 918 . 80 LEU HD2 H 0.137 0.02 1 919 . 80 LEU C C 177.25 0.015 1 920 . 80 LEU CA C 54.35 0.015 1 921 . 80 LEU CB C 42.58 0.015 1 922 . 80 LEU CG C 26.89 0.015 1 923 . 80 LEU CD1 C 25.01 0.015 1 924 . 80 LEU CD2 C 21.53 0.015 1 925 . 80 LEU N N 117.52 0.015 1 926 . 81 TYR H H 8.683 0.02 1 927 . 81 TYR HA H 4.302 0.02 1 928 . 81 TYR HB2 H 2.805 0.02 2 929 . 81 TYR HB3 H 2.443 0.02 2 930 . 81 TYR C C 175.87 0.015 1 931 . 81 TYR CA C 57.45 0.015 1 932 . 81 TYR CB C 37.74 0.015 1 933 . 81 TYR N N 123.40 0.015 1 934 . 81 TYR CD1 C 132.8 0.015 1 935 . 81 TYR CD2 C 132.8 0.015 1 936 . 81 TYR CE1 C 118.2 0.015 1 937 . 81 TYR CE2 C 118.2 0.015 1 938 . 81 TYR HD1 H 6.40 0.02 1 939 . 81 TYR HD2 H 6.40 0.02 1 940 . 81 TYR HE1 H 6.50 0.02 1 941 . 81 TYR HE2 H 6.50 0.02 1 942 . 82 LEU H H 8.070 0.02 1 943 . 82 LEU HA H 3.833 0.02 1 944 . 82 LEU HB2 H 1.365 0.02 2 945 . 82 LEU HB3 H 1.269 0.02 2 946 . 82 LEU HG H 1.234 0.02 1 947 . 82 LEU HD1 H 0.733 0.02 1 948 . 82 LEU HD2 H 0.459 0.02 1 949 . 82 LEU C C 177.27 0.015 1 950 . 82 LEU CA C 54.95 0.015 1 951 . 82 LEU CB C 40.91 0.015 1 952 . 82 LEU CG C 26.27 0.015 1 953 . 82 LEU CD1 C 25.01 0.015 1 954 . 82 LEU CD2 C 22.28 0.015 1 955 . 82 LEU N N 127.87 0.015 1 956 . 83 GLY H H 6.483 0.02 1 957 . 83 GLY HA2 H 3.875 0.02 2 958 . 83 GLY HA3 H 3.406 0.02 2 959 . 83 GLY C C 173.87 0.015 1 960 . 83 GLY CA C 45.05 0.015 1 961 . 83 GLY N N 106.32 0.015 1 962 . 84 GLY H H 7.796 0.02 1 963 . 84 GLY HA2 H 4.036 0.02 2 964 . 84 GLY HA3 H 3.885 0.02 2 965 . 84 GLY C C 174.32 0.015 1 966 . 84 GLY CA C 45.04 0.015 1 967 . 84 GLY N N 107.45 0.015 1 968 . 85 GLU H H 8.593 0.02 1 969 . 85 GLU HA H 4.159 0.02 1 970 . 85 GLU HB2 H 2.050 0.02 2 971 . 85 GLU HB3 H 1.899 0.02 2 972 . 85 GLU HG2 H 2.227 0.02 1 973 . 85 GLU HG3 H 2.227 0.02 1 974 . 85 GLU C C 177.09 0.015 1 975 . 85 GLU CA C 57.53 0.015 1 976 . 85 GLU CB C 30.23 0.015 1 977 . 85 GLU CG C 36.35 0.015 1 978 . 85 GLU N N 119.88 0.015 1 979 . 86 THR H H 7.818 0.02 1 980 . 86 THR HA H 4.167 0.02 1 981 . 86 THR HB H 4.082 0.02 1 982 . 86 THR HG2 H 1.068 0.02 1 983 . 86 THR C C 174.05 0.015 1 984 . 86 THR CA C 61.23 0.015 1 985 . 86 THR CB C 69.40 0.015 1 986 . 86 THR CG2 C 21.69 0.015 1 987 . 86 THR N N 112.17 0.015 1 988 . 87 HIS H H 8.638 0.02 1 989 . 87 HIS HA H 5.025 0.02 1 990 . 87 HIS HB2 H 3.225 0.02 2 991 . 87 HIS HB3 H 3.055 0.02 2 992 . 87 HIS C C 173.39 0.015 1 993 . 87 HIS CA C 54.12 0.015 1 994 . 87 HIS CB C 28.16 0.015 1 995 . 87 HIS CD2 C 119.7 0.015 1 996 . 87 HIS HD2 H 7.147 0.02 1 997 . 87 HIS CE1 C 136.7 0.015 1 998 . 87 HIS HE1 H 8.371 0.02 1 999 . 87 HIS N N 121.74 0.015 1 1000 . 88 GLU H H 7.848 0.02 1 1001 . 88 GLU HA H 4.489 0.02 1 1002 . 88 GLU HB2 H 1.872 0.02 2 1003 . 88 GLU HB3 H 1.803 0.02 2 1004 . 88 GLU HG2 H 2.433 0.02 2 1005 . 88 GLU HG3 H 2.122 0.02 2 1006 . 88 GLU C C 175.60 0.015 1 1007 . 88 GLU CA C 54.85 0.015 1 1008 . 88 GLU CB C 32.93 0.015 1 1009 . 88 GLU CG C 36.84 0.015 1 1010 . 88 GLU N N 120.74 0.015 1 1011 . 89 HIS H H 8.654 0.02 1 1012 . 89 HIS HA H 5.131 0.02 1 1013 . 89 HIS HB2 H 3.333 0.02 2 1014 . 89 HIS HB3 H 3.247 0.02 2 1015 . 89 HIS C C 174.93 0.015 1 1016 . 89 HIS CA C 56.45 0.015 1 1017 . 89 HIS CB C 30.69 0.015 1 1018 . 89 HIS N N 123.99 0.015 1 1019 . 89 HIS CD2 C 121.3 0.015 1 1020 . 89 HIS HD2 H 7.442 0.02 1 1021 . 89 HIS CE1 C 136.7 0.015 1 1022 . 89 HIS HE1 H 8.752 0.02 1 1023 . 90 TYR H H 8.900 0.02 1 1024 . 90 TYR HA H 6.015 0.02 1 1025 . 90 TYR HB2 H 2.871 0.02 1 1026 . 90 TYR HB3 H 2.871 0.02 1 1027 . 90 TYR C C 171.60 0.015 1 1028 . 90 TYR CA C 56.12 0.015 1 1029 . 90 TYR CB C 44.24 0.015 1 1030 . 90 TYR N N 118.30 0.015 1 1031 . 90 TYR CD1 C 134.2 0.015 1 1032 . 90 TYR CD2 C 134.2 0.015 1 1033 . 90 TYR CE1 C 117.9 0.015 1 1034 . 90 TYR CE2 C 117.9 0.015 1 1035 . 90 TYR HD1 H 7.12 0.02 1 1036 . 90 TYR HD2 H 7.12 0.02 1 1037 . 90 TYR HE1 H 6.73 0.02 1 1038 . 90 TYR HE2 H 6.73 0.02 1 1039 . 91 GLY H H 7.968 0.02 1 1040 . 91 GLY HA2 H 3.897 0.02 1 1041 . 91 GLY HA3 H 3.897 0.02 1 1042 . 91 GLY C C 171.91 0.015 1 1043 . 91 GLY CA C 45.07 0.015 1 1044 . 91 GLY N N 101.30 0.015 1 1045 . 92 ILE H H 9.073 0.02 1 1046 . 92 ILE HA H 4.907 0.02 1 1047 . 92 ILE HB H 2.096 0.02 1 1048 . 92 ILE HG12 H 1.488 0.02 2 1049 . 92 ILE HG13 H 1.357 0.02 2 1050 . 92 ILE HG2 H 1.083 0.02 1 1051 . 92 ILE HD1 H 1.053 0.02 1 1052 . 92 ILE C C 176.32 0.015 1 1053 . 92 ILE CA C 57.40 0.015 1 1054 . 92 ILE CB C 38.31 0.015 1 1055 . 92 ILE CG1 C 26.84 0.015 1 1056 . 92 ILE CG2 C 17.60 0.015 1 1057 . 92 ILE CD1 C 11.65 0.015 1 1058 . 92 ILE N N 120.35 0.015 1 1059 . 93 PRO HA H 5.300 0.02 1 1060 . 93 PRO HB2 H 1.834 0.02 2 1061 . 93 PRO HB3 H 1.385 0.02 2 1062 . 93 PRO HD2 H 3.949 0.02 2 1063 . 93 PRO HD3 H 3.799 0.02 2 1064 . 93 PRO C C 175.55 0.015 1 1065 . 93 PRO CA C 62.32 0.015 1 1066 . 93 PRO CB C 33.51 0.015 1 1067 . 93 PRO CG C 27.212 0.015 1 1068 . 93 PRO HG2 H 2.04 0.02 2 1069 . 93 PRO HG3 H 1.77 0.02 2 1070 . 93 PRO CD C 50.35 0.015 1 1071 . 94 HIS H H 9.375 0.02 1 1072 . 94 HIS HA H 4.558 0.02 1 1073 . 94 HIS HB2 H 2.756 0.02 2 1074 . 94 HIS HB3 H 2.605 0.02 2 1075 . 94 HIS C C 172.36 0.015 1 1076 . 94 HIS CA C 57.11 0.015 1 1077 . 94 HIS CB C 34.60 0.015 1 1078 . 94 HIS N N 118.46 0.015 1 1079 . 94 HIS CD2 C 126.56 0.015 1 1080 . 94 HIS HD2 H 6.278 0.02 1 1081 . 94 HIS CE1 C 137.8 0.015 1 1082 . 94 HIS HE1 H 7.09 0.02 1 1083 . 95 GLY H H 7.739 0.02 1 1084 . 95 GLY HA2 H 4.397 0.02 2 1085 . 95 GLY HA3 H 3.427 0.02 2 1086 . 95 GLY C C 171.87 0.015 1 1087 . 95 GLY CA C 44.23 0.015 1 1088 . 95 GLY N N 107.29 0.015 1 1089 . 96 PHE H H 9.119 0.02 1 1090 . 96 PHE HA H 4.883 0.02 1 1091 . 96 PHE HB2 H 3.133 0.02 2 1092 . 96 PHE HB3 H 2.473 0.02 2 1093 . 96 PHE C C 175.38 0.015 1 1094 . 96 PHE CA C 57.49 0.015 1 1095 . 96 PHE CB C 45.04 0.015 1 1096 . 96 PHE N N 117.41 0.015 1 1097 . 96 PHE CD1 C 131.5 0.015 1 1098 . 96 PHE CD2 C 131.5 0.015 1 1099 . 96 PHE CE1 C 131.6 0.015 1 1100 . 96 PHE CE2 C 131.6 0.015 1 1101 . 96 PHE HD1 H 6.98 0.02 1 1102 . 96 PHE HD2 H 6.98 0.02 1 1103 . 96 PHE HE1 H 6.70 0.02 1 1104 . 96 PHE HE2 H 6.70 0.02 1 1105 . 96 PHE CZ C 130.1 0.015 1 1106 . 96 PHE HZ H 5.51 0.02 1 1107 . 97 SER H H 9.394 0.02 1 1108 . 97 SER HA H 4.637 0.02 1 1109 . 97 SER HB2 H 3.858 0.02 2 1110 . 97 SER HB3 H 3.657 0.02 2 1111 . 97 SER C C 173.38 0.015 1 1112 . 97 SER CA C 58.68 0.015 1 1113 . 97 SER CB C 63.83 0.015 1 1114 . 97 SER N N 116.72 0.015 1 1115 . 98 SER H H 7.321 0.02 1 1116 . 98 SER HA H 4.698 0.02 1 1117 . 98 SER HB2 H 4.149 0.02 2 1118 . 98 SER HB3 H 3.982 0.02 2 1119 . 98 SER C C 173.98 0.015 1 1120 . 98 SER CA C 56.73 0.015 1 1121 . 98 SER CB C 65.68 0.015 1 1122 . 98 SER N N 110.75 0.015 1 1123 . 99 ARG H H 9.231 0.02 1 1124 . 99 ARG HA H 3.836 0.02 1 1125 . 99 ARG HB2 H 1.836 0.02 1 1126 . 99 ARG HB3 H 1.836 0.02 1 1127 . 99 ARG HG2 H 1.687 0.02 2 1128 . 99 ARG HG3 H 1.374 0.02 2 1129 . 99 ARG HD2 H 3.140 0.02 1 1130 . 99 ARG HD3 H 3.140 0.02 1 1131 . 99 ARG C C 178.19 0.015 1 1132 . 99 ARG CA C 60.28 0.015 1 1133 . 99 ARG CB C 29.45 0.015 1 1134 . 99 ARG CG C 28.40 0.015 1 1135 . 99 ARG CD C 43.353 0.015 1 1136 . 99 ARG N N 123.23 0.015 1 1137 . 100 ILE H H 8.178 0.02 1 1138 . 100 ILE HA H 3.951 0.02 1 1139 . 100 ILE HB H 1.762 0.02 1 1140 . 100 ILE HG12 H 1.484 0.02 2 1141 . 100 ILE HG13 H 1.232 0.02 2 1142 . 100 ILE HG2 H 0.905 0.02 1 1143 . 100 ILE HD1 H 0.867 0.02 1 1144 . 100 ILE C C 177.57 0.015 1 1145 . 100 ILE CA C 63.71 0.015 1 1146 . 100 ILE CB C 37.74 0.015 1 1147 . 100 ILE CG1 C 29.13 0.015 1 1148 . 100 ILE CG2 C 17.40 0.015 1 1149 . 100 ILE CD1 C 13.25 0.015 1 1150 . 100 ILE N N 118.64 0.015 1 1151 . 101 ALA H H 7.871 0.02 1 1152 . 101 ALA HA H 4.151 0.02 1 1153 . 101 ALA HB H 1.681 0.02 1 1154 . 101 ALA C C 181.20 0.015 1 1155 . 101 ALA CA C 55.09 0.015 1 1156 . 101 ALA CB C 18.85 0.015 1 1157 . 101 ALA N N 123.28 0.015 1 1158 . 102 LEU H H 7.432 0.02 1 1159 . 102 LEU HA H 3.366 0.02 1 1160 . 102 LEU HB2 H 1.809 0.02 2 1161 . 102 LEU HB3 H 0.854 0.02 2 1162 . 102 LEU HG H 1.139 0.02 1 1163 . 102 LEU HD2 H 0.671 0.02 1 1164 . 102 LEU HD1 H 0.137 0.02 1 1165 . 102 LEU C C 177.18 0.015 1 1166 . 102 LEU CA C 57.13 0.015 1 1167 . 102 LEU CB C 40.06 0.015 1 1168 . 102 LEU CG C 27.10 0.015 1 1169 . 102 LEU CD2 C 29.01 0.015 1 1170 . 102 LEU CD1 C 21.93 0.015 1 1171 . 102 LEU N N 119.62 0.015 1 1172 . 103 GLU H H 8.735 0.02 1 1173 . 103 GLU HA H 3.622 0.02 1 1174 . 103 GLU HB2 H 2.094 0.02 2 1175 . 103 GLU HB3 H 1.926 0.02 2 1176 . 103 GLU HG2 H 2.352 0.02 2 1177 . 103 GLU HG3 H 2.055 0.02 2 1178 . 103 GLU C C 179.40 0.015 1 1179 . 103 GLU CA C 60.59 0.015 1 1180 . 103 GLU CB C 29.59 0.015 1 1181 . 103 GLU CG C 37.50 0.015 1 1182 . 103 GLU N N 120.51 0.015 1 1183 . 104 ARG H H 8.419 0.02 1 1184 . 104 ARG HA H 4.021 0.02 1 1185 . 104 ARG HB2 H 1.886 0.02 1 1186 . 104 ARG HB3 H 1.886 0.02 1 1187 . 104 ARG HD2 H 3.164 0.02 1 1188 . 104 ARG HD3 H 3.164 0.02 1 1189 . 104 ARG HG2 H 1.836 0.02 2 1190 . 104 ARG HG3 H 1.655 0.02 2 1191 . 104 ARG C C 179.64 0.015 1 1192 . 104 ARG CA C 59.39 0.015 1 1193 . 104 ARG CB C 30.17 0.015 1 1194 . 104 ARG CG C 27.768 0.015 1 1195 . 104 ARG CD C 43.55 0.015 1 1196 . 104 ARG N N 118.35 0.015 1 1197 . 105 TYR H H 7.786 0.02 1 1198 . 105 TYR HA H 4.101 0.02 1 1199 . 105 TYR HB2 H 3.087 0.02 2 1200 . 105 TYR HB3 H 2.854 0.02 2 1201 . 105 TYR C C 176.29 0.015 1 1202 . 105 TYR CA C 61.72 0.015 1 1203 . 105 TYR CB C 38.88 0.015 1 1204 . 105 TYR HD1 H 6.70 0.02 1 1205 . 105 TYR HD2 H 6.70 0.02 1 1206 . 105 TYR HE1 H 6.56 0.02 1 1207 . 105 TYR HE2 H 6.56 0.02 1 1208 . 105 TYR N N 123.05 0.015 1 1209 . 106 LEU H H 8.530 0.02 1 1210 . 106 LEU HA H 3.701 0.02 1 1211 . 106 LEU HB2 H 1.993 0.02 2 1212 . 106 LEU HB3 H 1.420 0.02 2 1213 . 106 LEU HG H 1.887 0.02 1 1214 . 106 LEU HD1 H 0.520 0.02 1 1215 . 106 LEU HD2 H 0.672 0.02 1 1216 . 106 LEU C C 180.06 0.015 1 1217 . 106 LEU CA C 57.71 0.015 1 1218 . 106 LEU CB C 41.68 0.015 1 1219 . 106 LEU CG C 26.32 0.015 1 1220 . 106 LEU CD1 C 26.47 0.015 1 1221 . 106 LEU CD2 C 21.86 0.015 1 1222 . 106 LEU N N 117.63 0.015 1 1223 . 107 ASN H H 8.080 0.02 1 1224 . 107 ASN HA H 4.277 0.02 1 1225 . 107 ASN HB2 H 2.779 0.02 2 1226 . 107 ASN HB3 H 2.688 0.02 2 1227 . 107 ASN HD21 H 7.557 0.02 1 1228 . 107 ASN HD22 H 6.996 0.02 1 1229 . 107 ASN C C 178.15 0.015 1 1230 . 107 ASN CA C 56.22 0.015 1 1231 . 107 ASN CB C 38.48 0.015 1 1232 . 107 ASN N N 116.92 0.015 1 1233 . 107 ASN ND2 N 112.31 0.015 1 1234 . 108 GLY H H 8.083 0.02 1 1235 . 108 GLY HA2 H 3.793 0.02 2 1236 . 108 GLY HA3 H 3.507 0.02 2 1237 . 108 GLY C C 174.90 0.015 1 1238 . 108 GLY CA C 46.60 0.015 1 1239 . 108 GLY N N 107.06 0.015 1 1240 . 109 LEU H H 8.376 0.02 1 1241 . 109 LEU HA H 3.621 0.02 1 1242 . 109 LEU HB2 H 0.500 0.02 2 1243 . 109 LEU HB3 H 0.282 0.02 2 1244 . 109 LEU HG H 0.276 0.02 1 1245 . 109 LEU HD2 H 0.165 0.02 1 1246 . 109 LEU HD1 H 0.434 0.02 1 1247 . 109 LEU C C 177.36 0.015 1 1248 . 109 LEU CA C 56.75 0.015 1 1249 . 109 LEU CB C 42.48 0.015 1 1250 . 109 LEU CG C 25.67 0.015 1 1251 . 109 LEU CD2 C 26.53 0.015 1 1252 . 109 LEU CD1 C 23.34 0.015 1 1253 . 109 LEU N N 122.69 0.015 1 1254 . 110 PHE H H 7.859 0.02 1 1255 . 110 PHE HA H 4.796 0.02 1 1256 . 110 PHE HB2 H 3.265 0.02 2 1257 . 110 PHE HB3 H 2.885 0.02 2 1258 . 110 PHE C C 176.89 0.015 1 1259 . 110 PHE CA C 56.58 0.015 1 1260 . 110 PHE CB C 40.46 0.015 1 1261 . 110 PHE N N 112.94 0.015 1 1262 . 110 PHE CE1 C 131.2 0.015 1 1263 . 110 PHE CE2 C 131.2 0.015 1 1264 . 110 PHE CD1 C 131.2 0.015 1 1265 . 110 PHE CD2 C 131.2 0.015 1 1266 . 110 PHE HE1 H 7.12 0.02 1 1267 . 110 PHE HE2 H 7.12 0.02 1 1268 . 110 PHE HD1 H 7.19 0.02 1 1269 . 110 PHE HD2 H 7.19 0.02 1 1270 . 110 PHE CZ C 130.8 0.015 1 1271 . 110 PHE HZ H 7.85 0.02 1 1272 . 111 GLY H H 7.410 0.02 1 1273 . 111 GLY HA2 H 4.154 0.02 2 1274 . 111 GLY HA3 H 4.033 0.02 2 1275 . 111 GLY C C 173.55 0.015 1 1276 . 111 GLY CA C 45.01 0.015 1 1277 . 111 GLY N N 108.92 0.015 1 1278 . 112 ASP H H 8.334 0.02 1 1279 . 112 ASP HA H 4.634 0.02 1 1280 . 112 ASP HB2 H 2.628 0.02 1 1281 . 112 ASP HB3 H 2.628 0.02 1 1282 . 112 ASP C C 176.62 0.015 1 1283 . 112 ASP CA C 53.70 0.015 1 1284 . 112 ASP CB C 41.61 0.015 1 1285 . 112 ASP N N 120.20 0.015 1 1286 . 113 GLU H H 8.622 0.02 1 1287 . 113 GLU HA H 4.046 0.02 1 1288 . 113 GLU HB2 H 1.965 0.02 2 1289 . 113 GLU HB3 H 1.906 0.02 2 1290 . 113 GLU HG2 H 2.161 0.02 1 1291 . 113 GLU HG3 H 2.161 0.02 1 1292 . 113 GLU C C 176.94 0.015 1 1293 . 113 GLU CA C 57.43 0.015 1 1294 . 113 GLU CB C 29.88 0.015 1 1295 . 113 GLU CG C 36.11 0.015 1 1296 . 113 GLU N N 122.00 0.015 1 1297 . 114 LYS H H 8.415 0.02 1 1298 . 114 LYS HA H 4.221 0.02 1 1299 . 114 LYS HB2 H 1.775 0.02 1 1300 . 114 LYS HB3 H 1.775 0.02 1 1301 . 114 LYS HG2 H 1.405 0.02 2 1302 . 114 LYS HG3 H 1.341 0.02 2 1303 . 114 LYS HD2 H 1.614 0.02 1 1304 . 114 LYS HD3 H 1.614 0.02 1 1305 . 114 LYS HE2 H 2.934 0.02 1 1306 . 114 LYS HE3 H 2.934 0.02 1 1307 . 114 LYS C C 177.34 0.015 1 1308 . 114 LYS CA C 56.90 0.015 1 1309 . 114 LYS CB C 32.49 0.015 1 1310 . 114 LYS CG C 24.85 0.015 1 1311 . 114 LYS CD C 28.89 0.015 1 1312 . 114 LYS CE C 41.82 0.015 1 1313 . 114 LYS N N 121.34 0.015 1 1314 . 115 THR H H 8.043 0.02 1 1315 . 115 THR HA H 4.174 0.02 1 1316 . 115 THR HB H 4.145 0.02 1 1317 . 115 THR HG2 H 1.123 0.02 1 1318 . 115 THR C C 174.70 0.015 1 1319 . 115 THR CA C 62.66 0.015 1 1320 . 115 THR CB C 69.48 0.015 1 1321 . 115 THR CG2 C 21.57 0.015 1 1322 . 115 THR N N 114.75 0.015 1 1323 . 116 ASP H H 8.228 0.02 1 1324 . 116 ASP HA H 4.570 0.02 1 1325 . 116 ASP HB2 H 2.676 0.02 2 1326 . 116 ASP HB3 H 2.611 0.02 2 1327 . 116 ASP C C 176.80 0.015 1 1328 . 116 ASP CA C 54.48 0.015 1 1329 . 116 ASP CB C 40.95 0.015 1 1330 . 116 ASP N N 122.57 0.015 1 1331 . 117 LEU H H 8.156 0.02 1 1332 . 117 LEU HA H 4.108 0.02 1 1333 . 117 LEU HB2 H 1.610 0.02 2 1334 . 117 LEU HB3 H 1.497 0.02 2 1335 . 117 LEU HG H 1.581 0.02 1 1336 . 117 LEU HD1 H 0.848 0.02 1 1337 . 117 LEU HD2 H 0.778 0.02 1 1338 . 117 LEU C C 178.25 0.015 1 1339 . 117 LEU CA C 56.07 0.015 1 1340 . 117 LEU CB C 42.06 0.015 1 1341 . 117 LEU CG C 26.98 0.015 1 1342 . 117 LEU CD1 C 25.00 0.015 1 1343 . 117 LEU CD2 C 23.22 0.015 1 1344 . 117 LEU N N 121.93 0.015 1 1345 . 118 GLU H H 8.150 0.02 1 1346 . 118 GLU HA H 4.059 0.02 1 1347 . 118 GLU HB2 H 1.836 0.02 1 1348 . 118 GLU HB3 H 1.836 0.02 1 1349 . 118 GLU HG2 H 2.163 0.02 2 1350 . 118 GLU HG3 H 2.069 0.02 2 1351 . 118 GLU C C 176.83 0.015 1 1352 . 118 GLU CA C 57.04 0.015 1 1353 . 118 GLU CB C 29.78 0.015 1 1354 . 118 GLU CG C 36.12 0.015 1 1355 . 118 GLU N N 119.08 0.015 1 1356 . 119 HIS H H 8.076 0.02 1 1357 . 119 HIS C C 174.83 0.015 1 1358 . 119 HIS CA C 56.020 0.015 1 1359 . 119 HIS CB C 29.403 0.015 1 1360 . 119 HIS N N 117.60 0.015 1 1361 . 120 HIS H H 8.395 0.02 1 1362 . 120 HIS HA H 4.586 0.02 1 1363 . 120 HIS HB2 H 3.110 0.02 1 1364 . 120 HIS HB3 H 3.110 0.02 1 1365 . 120 HIS C C 173.87 0.015 1 1366 . 120 HIS CA C 55.53 0.015 1 1367 . 120 HIS CB C 29.62 0.015 1 1368 . 120 HIS N N 119.54 0.015 1 1369 . 121 HIS H H 8.238 0.02 1 1370 . 121 HIS C C 179.10 0.015 1 1371 . 121 HIS CA C 57.280 0.015 1 1372 . 121 HIS CB C 29.925 0.015 1 1373 . 121 HIS N N 125.28 0.015 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_set_1 _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H 750 _Mol_system_component_name 'putative cytoplasmic protein' _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 4 ARG H 4 ARG HA 6.2 . . 2.0 2 3JHNHA 8 VAL H 8 VAL HA 4.25 . . 2.0 3 3JHNHA 11 VAL H 11 VAL HA 4.63 . . 2.0 4 3JHNHA 14 LYS H 14 LYS HA 4.03 . . 2.0 5 3JHNHA 15 ALA H 15 ALA HA 6.07 . . 2.0 6 3JHNHA 18 THR H 18 THR HA 8.19 . . 2.0 7 3JHNHA 20 ASP H 20 ASP HA 10.26 . . 2.0 8 3JHNHA 22 VAL H 22 VAL HA 7.9 . . 2.0 9 3JHNHA 23 THR H 23 THR HA 8.02 . . 2.0 10 3JHNHA 26 THR H 26 THR HA 6.02 . . 2.0 11 3JHNHA 30 ARG H 30 ARG HA 8.14 . . 2.0 12 3JHNHA 33 GLU H 33 GLU HA 6.35 . . 2.0 13 3JHNHA 35 TYR H 35 TYR HA 8.23 . . 2.0 14 3JHNHA 36 VAL H 36 VAL HA 8.71 . . 2.0 15 3JHNHA 37 TYR H 37 TYR HA 8.05 . . 2.0 16 3JHNHA 38 VAL H 38 VAL HA 8.38 . . 2.0 17 3JHNHA 41 GLU H 41 GLU HA 6.84 . . 2.0 18 3JHNHA 42 ALA H 42 ALA HA 5.49 . . 2.0 19 3JHNHA 47 THR H 47 THR HA 8.68 . . 2.0 20 3JHNHA 48 ALA H 48 ALA HA 3.68 . . 2.0 21 3JHNHA 49 LEU H 49 LEU HA 6.96 . . 2.0 22 3JHNHA 50 ILE H 50 ILE HA 6.69 . . 2.0 23 3JHNHA 54 ARG H 54 ARG HA 4.23 . . 2.0 24 3JHNHA 57 ASP H 57 ASP HA 4.1 . . 2.0 25 3JHNHA 58 ARG H 58 ARG HA 4.85 . . 2.0 26 3JHNHA 68 ASP H 68 ASP HA 4.3 . . 2.0 27 3JHNHA 70 LYS H 70 LYS HA 8.69 . . 2.0 28 3JHNHA 71 THR H 71 THR HA 8.79 . . 2.0 29 3JHNHA 72 CYS H 72 CYS HA 3.89 . . 2.0 30 3JHNHA 74 HIS H 74 HIS HA 6.13 . . 2.0 31 3JHNHA 77 ASN H 77 ASN HA 4.7 . . 2.0 32 3JHNHA 78 PHE H 78 PHE HA 6.91 . . 2.0 33 3JHNHA 81 TYR H 81 TYR HA 6.13 . . 2.0 34 3JHNHA 82 LEU H 82 LEU HA 7.54 . . 2.0 35 3JHNHA 85 GLU H 85 GLU HA 5.92 . . 2.0 36 3JHNHA 86 THR H 86 THR HA 7.42 . . 2.0 37 3JHNHA 88 GLU H 88 GLU HA 6.74 . . 2.0 38 3JHNHA 90 TYR H 90 TYR HA 6.47 . . 2.0 39 3JHNHA 92 ILE H 92 ILE HA 7.91 . . 2.0 40 3JHNHA 94 HIS H 94 HIS HA 8.3 . . 2.0 41 3JHNHA 96 PHE H 96 PHE HA 10.82 . . 2.0 42 3JHNHA 97 SER H 97 SER HA 4.92 . . 2.0 43 3JHNHA 101 ALA H 101 ALA HA 3.59 . . 2.0 44 3JHNHA 102 LEU H 102 LEU HA 4.65 . . 2.0 45 3JHNHA 104 ARG H 104 ARG HA 2.93 . . 2.0 46 3JHNHA 105 TYR H 105 TYR HA 3.96 . . 2.0 47 3JHNHA 107 ASN H 107 ASN HA 4.74 . . 2.0 48 3JHNHA 109 LEU H 109 LEU HA 4.39 . . 2.0 49 3JHNHA 110 PHE H 110 PHE HA 8.16 . . 2.0 50 3JHNHA 114 LYS H 114 LYS HA 6.34 . . 2.0 51 3JHNHA 115 THR H 115 THR HA 6.6 . . 2.0 52 3JHNHA 116 ASP H 116 ASP HA 5.99 . . 2.0 53 3JHNHA 6 ASP H 6 ASP HA 2.00 . . 2.0 54 3JHNHA 9 ALA H 9 ALA HA 2.00 . . 2.0 55 3JHNHA 10 ARG H 10 ARG HA 2.00 . . 2.0 56 3JHNHA 12 LEU H 12 LEU HA 2.00 . . 2.0 57 3JHNHA 13 GLU H 13 GLU HA 2.00 . . 2.0 58 3JHNHA 56 LYS H 56 LYS HA 2.00 . . 2.0 59 3JHNHA 59 SER H 59 SER HA 2.00 . . 2.0 60 3JHNHA 60 SER H 60 SER HA 2.00 . . 2.0 61 3JHNHA 99 ARG H 99 ARG HA 2.00 . . 2.0 62 3JHNHA 100 ILE H 100 ILE HA 2.00 . . 2.0 63 3JHNHA 103 GLU H 103 GLU HA 2.00 . . 2.0 64 3JHNHA 106 LEU H 106 LEU HA 2.00 . . 2.0 65 3JHNHA 69 ILE H 69 ILE HA 8.00 . . 2.0 stop_ save_