data_6362 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Iron-Sulfur cluster assembly protein IscU from Bacillus subtilis, with Zinc bound at the active site. Northeast Structural Genomics Consortium Target SR17 ; _BMRB_accession_number 6362 _BMRB_flat_file_name bmr6362.str _Entry_type original _Submission_date 2004-10-27 _Accession_date 2004-10-27 _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 Kornhaber G. J. . 2 Swapna G. V. . 3 Ramelot T. A. . 4 Cort J. R. . 5 Kennedy M. A. . 6 Montelione G. T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 221 "13C chemical shifts" 316 "15N chemical shifts" 144 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-11-07 original author . stop_ _Original_release_date 2005-11-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR structure of the iron-sulfur cluster assembly protein U (IscU) with zinc bound at the active site ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15522305 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramelot T. A. . 2 Cort J. R. . 3 Goldsmith-Fischman S. . . 4 Kornhaber G. J. . 5 Xiao R. . . 6 Shastry R. . . 7 Acton T. B. . 8 Honig B. . . 9 Montelione G. T. . 10 Kennedy M. A. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 344 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 567 _Page_last 583 _Year 2004 _Details . loop_ _Keyword SR17 'NMR Structure' Autostructure Iron-Sulfur Zinc 'Northeast Structural Genomics Consortium' NESG NIFU-LIKE 'Protein Structure Initiative' 'Structural Genomics' stop_ save_ ################################## # Molecular system description # ################################## save_system_NifU-like_protein _Saveframe_category molecular_system _Mol_system_name 'NifU-like protein' _Abbreviation_common 'NifU-like protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NifU-like protein' $NifU-like_protein 'ZINC ION' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all other bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NifU-like_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'NifU-like protein' _Abbreviation_common 'NifU-like protein' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 147 _Mol_residue_sequence ; MSFNANLDTLYRQVIMDHYK NPRNKGVLNDSIVVDMNNPT CGDRIRLTMKLDGDIVEDAK FEGEGCSISMASASMMTQAI KGKDIETALSMSKIFSDMMQ GKEYDDSIDLGDIEALQGVS KFPARIKCATLSWKALEKGV AKEEGGN ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 PHE 4 ASN 5 ALA 6 ASN 7 LEU 8 ASP 9 THR 10 LEU 11 TYR 12 ARG 13 GLN 14 VAL 15 ILE 16 MET 17 ASP 18 HIS 19 TYR 20 LYS 21 ASN 22 PRO 23 ARG 24 ASN 25 LYS 26 GLY 27 VAL 28 LEU 29 ASN 30 ASP 31 SER 32 ILE 33 VAL 34 VAL 35 ASP 36 MET 37 ASN 38 ASN 39 PRO 40 THR 41 CYS 42 GLY 43 ASP 44 ARG 45 ILE 46 ARG 47 LEU 48 THR 49 MET 50 LYS 51 LEU 52 ASP 53 GLY 54 ASP 55 ILE 56 VAL 57 GLU 58 ASP 59 ALA 60 LYS 61 PHE 62 GLU 63 GLY 64 GLU 65 GLY 66 CYS 67 SER 68 ILE 69 SER 70 MET 71 ALA 72 SER 73 ALA 74 SER 75 MET 76 MET 77 THR 78 GLN 79 ALA 80 ILE 81 LYS 82 GLY 83 LYS 84 ASP 85 ILE 86 GLU 87 THR 88 ALA 89 LEU 90 SER 91 MET 92 SER 93 LYS 94 ILE 95 PHE 96 SER 97 ASP 98 MET 99 MET 100 GLN 101 GLY 102 LYS 103 GLU 104 TYR 105 ASP 106 ASP 107 SER 108 ILE 109 ASP 110 LEU 111 GLY 112 ASP 113 ILE 114 GLU 115 ALA 116 LEU 117 GLN 118 GLY 119 VAL 120 SER 121 LYS 122 PHE 123 PRO 124 ALA 125 ARG 126 ILE 127 LYS 128 CYS 129 ALA 130 THR 131 LEU 132 SER 133 TRP 134 LYS 135 ALA 136 LEU 137 GLU 138 LYS 139 GLY 140 VAL 141 ALA 142 LYS 143 GLU 144 GLU 145 GLY 146 GLY 147 ASN 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 1XJS "Solution Structure Of Iron-Sulfur Cluster Assembly Protein Iscu From Bacillus Subtilis, With Zinc Bound At The Active Site. Nor" 100.00 147 100.00 100.00 6.40e-103 PDB 2AZH "Solution Structure Of Iron-Sulfur Cluster Assembly Protein Sufu From Bacillus Subtilis, With Zinc Bound At The Active Site. Nor" 100.00 147 100.00 100.00 6.40e-103 DBJ BAI86813 "hypothetical protein BSNT_09755 [Bacillus subtilis subsp. natto BEST195]" 89.80 132 99.24 100.00 3.47e-90 DBJ BAM55339 "iron-sulfur cluster assembly scaffold protein [Bacillus subtilis BEST7613]" 100.00 147 100.00 100.00 6.40e-103 DBJ BAM59352 "iron-sulfur cluster assembly scaffold protein [Bacillus subtilis BEST7003]" 100.00 147 100.00 100.00 6.40e-103 DBJ GAK81939 "iron-sulfur cluster assembly scaffold protein [Bacillus subtilis Miyagi-4]" 100.00 147 99.32 100.00 1.93e-102 EMBL CAB15257 "iron-sulfur cluster assembly scaffold protein [Bacillus subtilis subsp. subtilis str. 168]" 100.00 147 100.00 100.00 6.40e-103 EMBL CCU60313 "Putative iron-sulfur cluster assembly scaffold protein for SUF system, SufE2 [Bacillus subtilis E1]" 100.00 147 100.00 100.00 6.40e-103 EMBL CEI58518 "NifU-like protein [Bacillus subtilis]" 100.00 147 100.00 100.00 6.40e-103 EMBL CEJ78923 "NifU-like protein [Bacillus sp.]" 100.00 147 100.00 100.00 6.40e-103 GB ADM39228 "iron-sulfur cluster assembly scaffold protein [Bacillus subtilis subsp. spizizenii str. W23]" 100.00 147 100.00 100.00 6.40e-103 GB ADV94073 "iron-sulfur cluster assembly scaffold protein [Bacillus subtilis BSn5]" 100.00 147 100.00 100.00 6.40e-103 GB AEP88144 "SUF system FeS assembly protein, NifU family [Bacillus subtilis subsp. spizizenii TU-B-10]" 100.00 147 100.00 100.00 6.40e-103 GB AEP92288 "SUF system FeS assembly protein, NifU family [Bacillus subtilis subsp. subtilis str. RO-NN-1]" 100.00 147 100.00 100.00 6.40e-103 GB AFI29836 "iron-sulfur cluster assembly scaffold protein [Bacillus sp. JS]" 100.00 147 100.00 100.00 6.40e-103 REF NP_391147 "NifU-like protein [Bacillus subtilis subsp. subtilis str. 168]" 100.00 147 100.00 100.00 6.40e-103 REF WP_003222809 "MULTISPECIES: Fe-S assembly protein NifU [Bacillales]" 100.00 147 100.00 100.00 6.40e-103 REF WP_003228606 "Fe-S assembly protein NifU [Bacillus subtilis]" 89.80 132 100.00 100.00 1.16e-90 REF WP_010329998 "Fe-S assembly protein NifU [Bacillus vallismortis]" 100.00 147 98.64 98.64 1.64e-101 REF WP_014480785 "hypothetical protein [Bacillus subtilis]" 100.00 147 99.32 100.00 1.93e-102 SP O32163 "RecName: Full=Zinc-dependent sulfurtransferase SufU; AltName: Full=Putative iron-sulfur cluster assembly scaffold protein SufU;" 100.00 147 100.00 100.00 6.40e-103 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:23:33 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NifU-like_protein 'Bacillus subtilis' 1423 Bacteria . Bacillus subtilis 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 $NifU-like_protein '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 $NifU-like_protein 0.7 mM '[U-13C; U-15N; U-2H; NA-V,L,I-methyl]' 'Potassium Phosphate' 100 mM . Glycerol 200 mM . DTT 1 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 $NifU-like_protein 0.4 mM '[U-13C; NA-Y,F; U-15N; U-2H; NA-Y,F]' 'Sodium Phosphate' 20 mM . 'Sodium Chloride' 50 mM . DTT 10 mM . NaN3 0.02 % . D2O 5 % . H2O 95 % . stop_ save_ ############################ # Computer software used # ############################ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 1.9 loop_ _Task 'data analysis' stop_ _Details 'Zimmerman, Moseley and Montelione' save_ save_AutoStructure _Saveframe_category software _Name AutoStructure _Version 2.0.0 loop_ _Task 'structure solution' stop_ _Details 'Huang and Montelione' save_ save_Talos _Saveframe_category software _Name Talos _Version 2.1 loop_ _Task 'structure solution' stop_ _Details 'Cornilescu, Delaglio and Bax' save_ save_Hyper_&_PDBstat _Saveframe_category software _Name 'Hyper & PDBstat' _Version '3.2 and 3.32' loop_ _Task 'structure solution' stop_ _Details 'Tejero and Montelione' save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.1 loop_ _Task processing stop_ _Details 'Delaglio et al.' save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 2.0.6 loop_ _Task refinement stop_ _Details 'Schwieters, et al.' save_ save_CNS _Saveframe_category software _Name CNS _Version 1.0 loop_ _Task refinement stop_ _Details 'Brunger, et al.' save_ save_Sparky _Saveframe_category software _Name Sparky _Version 3.106 loop_ _Task 'data analysis' stop_ _Details Goddard save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D-TOCSYS_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-TOCSYS _Sample_label . save_ save_13C,1H-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 13C,1H-HSQC _Sample_label . save_ save_15N,1H-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name 15N,1H-HSQC _Sample_label . save_ save_2D_Homonuclear_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D Homonuclear NOESY' _Sample_label . save_ save_4D_13C-separated_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C-separated NOESY' _Sample_label . save_ save_3D_13C-separated_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_3D_15N-separated_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_H/D_exchange_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'H/D exchange' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-TOCSYS _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name 13C,1H-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name 15N,1H-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D Homonuclear NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'H/D exchange' _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 pH 6.5 . na temperature 293 . K 'ionic strength' 100 . mM pressure 1 . atm 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation 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-TOCSYS 13C,1H-HSQC 15N,1H-HSQC '2D Homonuclear NOESY' '4D 13C-separated NOESY' '3D 13C-separated NOESY' '3D 15N-separated NOESY' 'H/D exchange' stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'NifU-like 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 . 4 ASN H H 8.438 . 1 2 . 4 ASN N N 122.533 . 1 3 . 4 ASN CA C 52.6183 . 1 4 . 4 ASN CB C 38.8583 . 1 5 . 5 ALA H H 8.421 . 1 6 . 5 ALA N N 125.409 . 1 7 . 5 ALA CA C 53.3843 . 1 8 . 5 ALA CB C 18.6063 . 1 9 . 6 ASN H H 8.315 . 1 10 . 6 ASN HD21 H 7.681 . 2 11 . 6 ASN HD22 H 6.945 . 2 12 . 6 ASN N N 116.061 . 1 13 . 6 ASN ND2 N 113.640 . 1 14 . 6 ASN CA C 53.8693 . 1 15 . 6 ASN CB C 38.4373 . 1 16 . 7 LEU H H 7.852 . 1 17 . 7 LEU HD1 H 0.830 . 2 18 . 7 LEU HD2 H 0.738 . 2 19 . 7 LEU CD1 C 24.857 . 2 20 . 7 LEU CD2 C 23.096 . 2 21 . 7 LEU N N 121.546 . 1 22 . 7 LEU CA C 55.4193 . 1 23 . 7 LEU CB C 41.1343 . 1 24 . 8 ASP H H 7.971 . 1 25 . 8 ASP N N 118.773 . 1 26 . 8 ASP CA C 57.4773 . 1 27 . 8 ASP CB C 41.1353 . 1 28 . 9 THR H H 8.088 . 1 29 . 9 THR N N 113.931 . 1 30 . 9 THR CA C 65.5883 . 1 31 . 9 THR CB C 68.1383 . 1 32 . 10 LEU H H 7.709 . 1 33 . 10 LEU HD1 H 0.861 . 2 34 . 10 LEU CD1 C 24.356 . 2 35 . 10 LEU N N 123.725 . 1 36 . 10 LEU CA C 57.6073 . 1 37 . 10 LEU CB C 41.3193 . 1 38 . 11 TYR H H 8.550 . 1 39 . 11 TYR HB2 H 3.301 . 2 40 . 11 TYR HB3 H 3.617 . 2 41 . 11 TYR HD1 H 7.083 . 2 42 . 11 TYR HE1 H 6.761 . 2 43 . 11 TYR N N 118.559 . 1 44 . 11 TYR CA C 57.9283 . 1 45 . 11 TYR CB C 35.6383 . 1 46 . 12 ARG H H 8.151 . 1 47 . 12 ARG N N 117.970 . 1 48 . 12 ARG CA C 59.6583 . 1 49 . 12 ARG CB C 29.5083 . 1 50 . 13 GLN H H 7.904 . 1 51 . 13 GLN N N 118.702 . 1 52 . 13 GLN CA C 58.9383 . 1 53 . 13 GLN CB C 28.0583 . 1 54 . 14 VAL H H 8.178 . 1 55 . 14 VAL HG1 H 1.248 . 2 56 . 14 VAL HG2 H 1.130 . 2 57 . 14 VAL CG1 C 22.165 . 2 58 . 14 VAL CG2 C 21.751 . 2 59 . 14 VAL N N 122.733 . 1 60 . 14 VAL CA C 66.0573 . 1 61 . 14 VAL CB C 32.1773 . 1 62 . 15 ILE H H 8.111 . 1 63 . 15 ILE HD1 H 0.791 . 1 64 . 15 ILE CD1 C 13.494 . 1 65 . 15 ILE N N 119.502 . 1 66 . 15 ILE CA C 65.9383 . 1 67 . 15 ILE CB C 37.6683 . 1 68 . 16 MET H H 8.132 . 1 69 . 16 MET N N 115.544 . 1 70 . 16 MET CA C 57.3183 . 1 71 . 16 MET CB C 30.7983 . 1 72 . 17 ASP H H 8.333 . 1 73 . 17 ASP N N 120.408 . 1 74 . 17 ASP CA C 57.4683 . 1 75 . 17 ASP CB C 41.5383 . 1 76 . 18 HIS H H 7.933 . 1 77 . 18 HIS HE1 H 10.259 . 1 78 . 18 HIS N N 116.958 . 1 79 . 18 HIS CA C 60.0783 . 1 80 . 18 HIS CB C 32.2283 . 1 81 . 19 TYR H H 8.472 . 1 82 . 19 TYR HB2 H 3.220 . 2 83 . 19 TYR HB3 H 3.275 . 2 84 . 19 TYR HD1 H 7.174 . 2 85 . 19 TYR HE1 H 6.860 . 2 86 . 19 TYR N N 118.077 . 1 87 . 19 TYR CA C 58.3883 . 1 88 . 19 TYR CB C 38.5583 . 1 89 . 20 LYS H H 8.630 . 1 90 . 20 LYS N N 116.984 . 1 91 . 20 LYS CA C 57.4453 . 1 92 . 20 LYS CB C 32.6993 . 1 93 . 21 ASN H H 8.150 . 1 94 . 21 ASN HD21 H 7.705 . 2 95 . 21 ASN HD22 H 6.907 . 2 96 . 21 ASN N N 116.077 . 1 97 . 21 ASN ND2 N 116.050 . 1 98 . 21 ASN CA C 49.9813 . 1 99 . 21 ASN CB C 38.8513 . 1 100 . 22 PRO CA C 63.4083 . 1 101 . 22 PRO CB C 31.4483 . 1 102 . 23 ARG H H 9.827 . 1 103 . 23 ARG N N 125.650 . 1 104 . 23 ARG CA C 55.3083 . 1 105 . 23 ARG CB C 31.0583 . 1 106 . 24 ASN H H 8.386 . 1 107 . 24 ASN HD21 H 7.508 . 2 108 . 24 ASN HD22 H 6.867 . 2 109 . 24 ASN N N 109.405 . 1 110 . 24 ASN ND2 N 111.731 . 1 111 . 24 ASN CA C 53.1943 . 1 112 . 24 ASN CB C 36.8783 . 1 113 . 25 LYS H H 8.161 . 1 114 . 25 LYS N N 118.096 . 1 115 . 25 LYS CA C 54.3903 . 1 116 . 25 LYS CB C 32.2153 . 1 117 . 26 GLY H H 8.691 . 1 118 . 26 GLY N N 115.986 . 1 119 . 26 GLY CA C 44.1833 . 1 120 . 27 VAL H H 8.156 . 1 121 . 27 VAL HG1 H 0.738 . 2 122 . 27 VAL HG2 H 0.766 . 2 123 . 27 VAL CG1 C 20.633 . 2 124 . 27 VAL CG2 C 20.773 . 2 125 . 27 VAL N N 117.827 . 1 126 . 27 VAL CA C 60.6763 . 1 127 . 27 VAL CB C 35.5033 . 1 128 . 28 LEU H H 8.314 . 1 129 . 28 LEU HD2 H 0.594 . 2 130 . 28 LEU CD2 C 25.893 . 2 131 . 28 LEU N N 127.667 . 1 132 . 28 LEU CA C 53.4483 . 1 133 . 28 LEU CB C 42.8183 . 1 134 . 29 ASN H H 8.796 . 1 135 . 29 ASN HD21 H 7.642 . 2 136 . 29 ASN HD22 H 7.032 . 2 137 . 29 ASN N N 122.373 . 1 138 . 29 ASN ND2 N 113.550 . 1 139 . 29 ASN CA C 52.5063 . 1 140 . 29 ASN CB C 38.8653 . 1 141 . 30 ASP H H 8.892 . 1 142 . 30 ASP N N 119.722 . 1 143 . 30 ASP CA C 54.9133 . 1 144 . 30 ASP CB C 39.2713 . 1 145 . 31 SER H H 7.792 . 1 146 . 31 SER N N 111.753 . 1 147 . 31 SER CA C 57.1563 . 1 148 . 31 SER CB C 65.9913 . 1 149 . 32 ILE H H 8.489 . 1 150 . 32 ILE HD1 H 0.896 . 1 151 . 32 ILE CD1 C 13.509 . 1 152 . 32 ILE N N 121.891 . 1 153 . 32 ILE CA C 62.1283 . 1 154 . 32 ILE CB C 38.9063 . 1 155 . 33 VAL H H 8.414 . 1 156 . 33 VAL HG1 H 0.872 . 2 157 . 33 VAL HG2 H 0.769 . 2 158 . 33 VAL CG1 C 20.848 . 2 159 . 33 VAL CG2 C 20.371 . 2 160 . 33 VAL N N 127.136 . 1 161 . 33 VAL CA C 60.5513 . 1 162 . 33 VAL CB C 33.6803 . 1 163 . 34 VAL H H 9.277 . 1 164 . 34 VAL HG1 H 1.053 . 2 165 . 34 VAL HG2 H 0.854 . 2 166 . 34 VAL CG1 C 21.647 . 2 167 . 34 VAL CG2 C 19.861 . 2 168 . 34 VAL N N 127.519 . 1 169 . 34 VAL CA C 61.3823 . 1 170 . 34 VAL CB C 35.5663 . 1 171 . 35 ASP H H 8.604 . 1 172 . 35 ASP N N 127.259 . 1 173 . 35 ASP CA C 53.2383 . 1 174 . 35 ASP CB C 43.0083 . 1 175 . 36 MET H H 9.026 . 1 176 . 36 MET N N 121.659 . 1 177 . 36 MET CA C 54.4483 . 1 178 . 36 MET CB C 37.2553 . 1 179 . 37 ASN H H 8.730 . 1 180 . 37 ASN HD21 H 7.559 . 2 181 . 37 ASN HD22 H 6.894 . 2 182 . 37 ASN N N 119.388 . 1 183 . 37 ASN ND2 N 113.298 . 1 184 . 37 ASN CA C 52.0653 . 1 185 . 37 ASN CB C 41.8463 . 1 186 . 38 ASN H H 8.862 . 1 187 . 38 ASN HD21 H 7.885 . 2 188 . 38 ASN HD22 H 7.133 . 2 189 . 38 ASN N N 116.075 . 1 190 . 38 ASN ND2 N 112.179 . 1 191 . 38 ASN CA C 51.9683 . 1 192 . 38 ASN CB C 40.5833 . 1 193 . 40 THR CA C 64.9883 . 1 194 . 40 THR CB C 68.0443 . 1 195 . 41 CYS H H 6.651 . 1 196 . 41 CYS N N 120.287 . 1 197 . 41 CYS CA C 59.9123 . 1 198 . 41 CYS CB C 32.1903 . 1 199 . 42 GLY H H 8.110 . 1 200 . 42 GLY N N 103.995 . 1 201 . 42 GLY CA C 44.4293 . 1 202 . 43 ASP H H 6.978 . 1 203 . 43 ASP N N 119.136 . 1 204 . 43 ASP CA C 53.8293 . 1 205 . 43 ASP CB C 43.2273 . 1 206 . 44 ARG H H 9.408 . 1 207 . 44 ARG N N 123.725 . 1 208 . 44 ARG CA C 55.8683 . 1 209 . 44 ARG CB C 33.1883 . 1 210 . 45 ILE H H 8.803 . 1 211 . 45 ILE HD1 H 0.619 . 1 212 . 45 ILE CD1 C 14.165 . 1 213 . 45 ILE N N 120.389 . 1 214 . 45 ILE CA C 59.0113 . 1 215 . 45 ILE CB C 43.2433 . 1 216 . 46 ARG H H 9.232 . 1 217 . 46 ARG N N 127.782 . 1 218 . 46 ARG CA C 55.2183 . 1 219 . 46 ARG CB C 31.2783 . 1 220 . 47 LEU H H 9.735 . 1 221 . 47 LEU HD1 H 0.748 . 2 222 . 47 LEU HD2 H 0.786 . 2 223 . 47 LEU CD1 C 26.355 . 2 224 . 47 LEU CD2 C 23.045 . 2 225 . 47 LEU N N 133.289 . 1 226 . 47 LEU CA C 53.2283 . 1 227 . 47 LEU CB C 44.9783 . 1 228 . 48 THR H H 9.264 . 1 229 . 48 THR HG1 H 5.378 . 1 230 . 48 THR N N 116.286 . 1 231 . 48 THR CA C 58.2033 . 1 232 . 48 THR CB C 72.1263 . 1 233 . 49 MET H H 8.473 . 1 234 . 49 MET N N 117.025 . 1 235 . 49 MET CA C 54.5783 . 1 236 . 49 MET CB C 37.9983 . 1 237 . 50 LYS H H 8.520 . 1 238 . 50 LYS N N 123.920 . 1 239 . 50 LYS CA C 54.3733 . 1 240 . 50 LYS CB C 35.1083 . 1 241 . 51 LEU H H 8.833 . 1 242 . 51 LEU HD1 H 0.901 . 2 243 . 51 LEU HD2 H 0.889 . 2 244 . 51 LEU CD1 C 25.544 . 2 245 . 51 LEU CD2 C 24.144 . 2 246 . 51 LEU N N 125.507 . 1 247 . 51 LEU CA C 54.1113 . 1 248 . 51 LEU CB C 42.6603 . 1 249 . 52 ASP H H 9.203 . 1 250 . 52 ASP N N 123.592 . 1 251 . 52 ASP CA C 52.6253 . 1 252 . 52 ASP CB C 41.1393 . 1 253 . 53 GLY H H 8.854 . 1 254 . 53 GLY N N 115.236 . 1 255 . 53 GLY CA C 47.2173 . 1 256 . 54 ASP H H 8.773 . 1 257 . 54 ASP N N 126.438 . 1 258 . 54 ASP CA C 53.5983 . 1 259 . 54 ASP CB C 40.7983 . 1 260 . 55 ILE H H 7.863 . 1 261 . 55 ILE HD1 H 0.749 . 1 262 . 55 ILE CD1 C 10.784 . 1 263 . 55 ILE N N 118.742 . 1 264 . 55 ILE CA C 59.1793 . 1 265 . 55 ILE CB C 38.6493 . 1 266 . 56 VAL H H 8.751 . 1 267 . 56 VAL HG1 H 0.699 . 2 268 . 56 VAL HG2 H 0.594 . 2 269 . 56 VAL CG1 C 19.526 . 2 270 . 56 VAL CG2 C 21.509 . 2 271 . 56 VAL N N 125.627 . 1 272 . 56 VAL CA C 61.9913 . 1 273 . 56 VAL CB C 28.9933 . 1 274 . 57 GLU H H 8.629 . 1 275 . 57 GLU N N 132.891 . 1 276 . 57 GLU CA C 58.1983 . 1 277 . 57 GLU CB C 30.3383 . 1 278 . 58 ASP H H 8.017 . 1 279 . 58 ASP N N 113.169 . 1 280 . 58 ASP CA C 52.7073 . 1 281 . 58 ASP CB C 43.5103 . 1 282 . 59 ALA H H 8.683 . 1 283 . 59 ALA N N 104.488 . 1 284 . 59 ALA CA C 51.2993 . 1 285 . 59 ALA CB C 21.1983 . 1 286 . 60 LYS H H 8.945 . 1 287 . 60 LYS N N 119.241 . 1 288 . 60 LYS CA C 54.0383 . 1 289 . 60 LYS CB C 38.7283 . 1 290 . 61 PHE H H 9.043 . 1 291 . 61 PHE HB2 H 2.686 . 2 292 . 61 PHE HB3 H 2.846 . 2 293 . 61 PHE HD1 H 7.321 . 2 294 . 61 PHE HE1 H 7.244 . 2 295 . 61 PHE N N 116.507 . 1 296 . 61 PHE CA C 55.0783 . 1 297 . 61 PHE CB C 43.0083 . 1 298 . 62 GLU H H 8.754 . 1 299 . 62 GLU N N 120.429 . 1 300 . 62 GLU CA C 53.9753 . 1 301 . 62 GLU CB C 33.6423 . 1 302 . 63 GLY H H 8.553 . 1 303 . 63 GLY N N 109.042 . 1 304 . 63 GLY CA C 45.3723 . 1 305 . 64 GLU H H 8.360 . 1 306 . 64 GLU N N 117.560 . 1 307 . 64 GLU CA C 55.1483 . 1 308 . 64 GLU CB C 32.7503 . 1 309 . 65 GLY H H 8.308 . 1 310 . 65 GLY N N 108.488 . 1 311 . 65 GLY CA C 45.3213 . 1 312 . 66 CYS H H 8.934 . 1 313 . 66 CYS N N 119.519 . 1 314 . 66 CYS CA C 56.8883 . 1 315 . 66 CYS CB C 31.1283 . 1 316 . 67 SER H H 8.531 . 1 317 . 67 SER N N 113.745 . 1 318 . 67 SER CA C 60.4983 . 1 319 . 67 SER CB C 61.4883 . 1 320 . 68 ILE H H 6.797 . 1 321 . 68 ILE HD1 H 0.748 . 1 322 . 68 ILE CD1 C 10.750 . 1 323 . 68 ILE N N 119.079 . 1 324 . 68 ILE CA C 63.6273 . 1 325 . 68 ILE CB C 37.1813 . 1 326 . 69 SER H H 8.698 . 1 327 . 69 SER HG H 3.730 . 1 328 . 69 SER N N 118.919 . 1 329 . 69 SER CA C 60.65 . 1 330 . 69 SER CB C 62.45 . 1 331 . 70 MET H H 8.003 . 1 332 . 70 MET N N 122.387 . 1 333 . 70 MET CA C 56.6783 . 1 334 . 70 MET CB C 34.3183 . 1 335 . 71 ALA H H 8.805 . 1 336 . 71 ALA N N 123.647 . 1 337 . 71 ALA CA C 55.5353 . 1 338 . 71 ALA CB C 19.5133 . 1 339 . 72 SER H H 8.157 . 1 340 . 72 SER N N 108.914 . 1 341 . 72 SER CA C 59.8083 . 1 342 . 72 SER CB C 62.5383 . 1 343 . 73 ALA H H 7.108 . 1 344 . 73 ALA N N 119.725 . 1 345 . 73 ALA CA C 55.1053 . 1 346 . 73 ALA CB C 16.5103 . 1 347 . 74 SER H H 7.115 . 1 348 . 74 SER N N 113.696 . 1 349 . 74 SER CA C 60.7383 . 1 350 . 74 SER CB C 61.6883 . 1 351 . 75 MET H H 8.179 . 1 352 . 75 MET N N 115.825 . 1 353 . 75 MET CA C 59.1083 . 1 354 . 75 MET CB C 32.9883 . 1 355 . 76 MET H H 8.821 . 1 356 . 76 MET N N 119.856 . 1 357 . 76 MET CA C 59.1483 . 1 358 . 76 MET CB C 31.4483 . 1 359 . 77 THR H H 7.929 . 1 360 . 77 THR HG1 H 4.160 . 1 361 . 77 THR N N 107.138 . 1 362 . 77 THR CA C 65.6683 . 1 363 . 77 THR CB C 65.6683 . 1 364 . 78 GLN H H 7.404 . 1 365 . 78 GLN N N 117.903 . 1 366 . 78 GLN CA C 57.5563 . 1 367 . 78 GLN CB C 28.8223 . 1 368 . 79 ALA H H 7.808 . 1 369 . 79 ALA N N 120.626 . 1 370 . 79 ALA CA C 54.2653 . 1 371 . 79 ALA CB C 19.4393 . 1 372 . 80 ILE H H 7.783 . 1 373 . 80 ILE HD1 H 0.576 . 1 374 . 80 ILE CD1 C 14.978 . 1 375 . 80 ILE N N 106.976 . 1 376 . 80 ILE CA C 62.2943 . 1 377 . 80 ILE CB C 38.8383 . 1 378 . 81 LYS H H 6.758 . 1 379 . 81 LYS N N 120.770 . 1 380 . 81 LYS CA C 59.1653 . 1 381 . 81 LYS CB C 31.5573 . 1 382 . 82 GLY H H 9.417 . 1 383 . 82 GLY N N 115.069 . 1 384 . 82 GLY CA C 45.2813 . 1 385 . 83 LYS H H 8.076 . 1 386 . 83 LYS N N 119.856 . 1 387 . 83 LYS CA C 53.8183 . 1 388 . 83 LYS CB C 32.7183 . 1 389 . 84 ASP H H 8.159 . 1 390 . 84 ASP N N 116.771 . 1 391 . 84 ASP CA C 52.3593 . 1 392 . 84 ASP CB C 41.3013 . 1 393 . 85 ILE H H 8.735 . 1 394 . 85 ILE HD1 H 0.946 . 1 395 . 85 ILE CD1 C 13.683 . 1 396 . 85 ILE N N 120.414 . 1 397 . 85 ILE CA C 65.5083 . 1 398 . 85 ILE CB C 38.0583 . 1 399 . 86 GLU H H 8.573 . 1 400 . 86 GLU N N 118.702 . 1 401 . 86 GLU CA C 59.6803 . 1 402 . 86 GLU CB C 28.6573 . 1 403 . 87 THR H H 8.442 . 1 404 . 87 THR N N 119.887 . 1 405 . 87 THR CA C 67.2283 . 1 406 . 87 THR CB C 67.0763 . 1 407 . 88 ALA H H 8.791 . 1 408 . 88 ALA N N 125.967 . 1 409 . 88 ALA CA C 55.8343 . 1 410 . 88 ALA CB C 16.6163 . 1 411 . 89 LEU H H 8.860 . 1 412 . 89 LEU HD1 H 0.894 . 2 413 . 89 LEU HD2 H 0.865 . 2 414 . 89 LEU CD1 C 25.551 . 2 415 . 89 LEU CD2 C 22.216 . 2 416 . 89 LEU N N 116.251 . 1 417 . 89 LEU CA C 57.3283 . 1 418 . 89 LEU CB C 40.9543 . 1 419 . 90 SER H H 8.412 . 1 420 . 90 SER N N 119.352 . 1 421 . 90 SER CA C 61.9233 . 1 422 . 90 SER CB C 62.2373 . 1 423 . 91 MET CA C 59.6883 . 1 424 . 91 MET CB C 32.5683 . 1 425 . 92 SER H H 7.794 . 1 426 . 92 SER N N 113.230 . 1 427 . 92 SER CA C 60.5983 . 1 428 . 92 SER CB C 62.7983 . 1 429 . 93 LYS H H 7.654 . 1 430 . 93 LYS N N 120.923 . 1 431 . 93 LYS CA C 59.1493 . 1 432 . 93 LYS CB C 31.6493 . 1 433 . 94 ILE H H 7.954 . 1 434 . 94 ILE HD1 H 0.883 . 1 435 . 94 ILE CD1 C 14.049 . 1 436 . 94 ILE N N 120.999 . 1 437 . 94 ILE CA C 64.8713 . 1 438 . 94 ILE CB C 37.8383 . 1 439 . 95 PHE H H 8.398 . 1 440 . 95 PHE HB2 H 2.003 . 2 441 . 95 PHE HB3 H 2.182 . 2 442 . 95 PHE HD2 H 6.921 . 2 443 . 95 PHE HE2 H 6.505 . 2 444 . 95 PHE N N 120.362 . 1 445 . 95 PHE CA C 61.6383 . 1 446 . 95 PHE CB C 37.5483 . 1 447 . 96 SER H H 8.039 . 1 448 . 96 SER N N 113.892 . 1 449 . 96 SER CA C 62.2573 . 1 450 . 96 SER CB C 62.2293 . 1 451 . 97 ASP H H 8.159 . 1 452 . 97 ASP N N 123.160 . 1 453 . 97 ASP CA C 57.7483 . 1 454 . 97 ASP CB C 39.1683 . 1 455 . 98 MET H H 8.531 . 1 456 . 98 MET N N 121.851 . 1 457 . 98 MET CA C 58.8683 . 1 458 . 98 MET CB C 32.4183 . 1 459 . 99 MET H H 8.088 . 1 460 . 99 MET N N 118.066 . 1 461 . 99 MET CA C 55.9083 . 1 462 . 99 MET CB C 32.7583 . 1 463 . 100 GLN H H 7.475 . 1 464 . 100 GLN HE21 H 7.241 . 2 465 . 100 GLN HE22 H 6.873 . 2 466 . 100 GLN N N 114.507 . 1 467 . 100 GLN NE2 N 112.066 . 1 468 . 100 GLN CA C 55.3783 . 1 469 . 100 GLN CB C 29.5613 . 1 470 . 101 GLY H H 7.919 . 1 471 . 101 GLY N N 108.086 . 1 472 . 101 GLY CA C 45.7573 . 1 473 . 102 LYS H H 7.813 . 1 474 . 102 LYS N N 119.495 . 1 475 . 102 LYS CA C 54.9173 . 1 476 . 102 LYS CB C 33.6733 . 1 477 . 103 GLU H H 8.281 . 1 478 . 103 GLU N N 120.575 . 1 479 . 103 GLU CA C 56.6803 . 1 480 . 103 GLU CB C 29.5053 . 1 481 . 104 TYR H H 7.594 . 1 482 . 104 TYR HB2 H 3.082 . 2 483 . 104 TYR HB3 H 2.746 . 2 484 . 104 TYR HD1 H 7.033 . 2 485 . 104 TYR HE1 H 6.710 . 2 486 . 104 TYR N N 119.699 . 1 487 . 104 TYR CA C 55.1283 . 1 488 . 104 TYR CB C 40.2983 . 1 489 . 105 ASP H H 8.409 . 1 490 . 105 ASP N N 121.341 . 1 491 . 105 ASP CA C 54.2713 . 1 492 . 105 ASP CB C 40.8163 . 1 493 . 106 ASP H H 7.975 . 1 494 . 106 ASP N N 122.971 . 1 495 . 106 ASP CA C 53.1063 . 1 496 . 106 ASP CB C 40.2053 . 1 497 . 107 SER H H 8.567 . 1 498 . 107 SER N N 115.428 . 1 499 . 107 SER CA C 60.2523 . 1 500 . 107 SER CB C 63.1973 . 1 501 . 108 ILE H H 7.184 . 1 502 . 108 ILE HD1 H 0.799 . 1 503 . 108 ILE CD1 C 13.210 . 1 504 . 108 ILE N N 120.862 . 1 505 . 108 ILE CA C 59.7873 . 1 506 . 108 ILE CB C 39.3803 . 1 507 . 109 ASP H H 8.394 . 1 508 . 109 ASP N N 124.253 . 1 509 . 109 ASP CA C 53.8843 . 1 510 . 109 ASP CB C 40.6823 . 1 511 . 110 LEU H H 8.955 . 1 512 . 110 LEU HD1 H 0.707 . 2 513 . 110 LEU HD2 H 0.784 . 2 514 . 110 LEU CD1 C 22.379 . 2 515 . 110 LEU CD2 C 25.889 . 2 516 . 110 LEU N N 126.802 . 1 517 . 110 LEU CA C 54.0413 . 1 518 . 110 LEU CB C 42.1183 . 1 519 . 111 GLY H H 8.570 . 1 520 . 111 GLY N N 109.482 . 1 521 . 111 GLY CA C 46.8423 . 1 522 . 112 ASP H H 9.121 . 1 523 . 112 ASP N N 127.561 . 1 524 . 112 ASP CA C 56.4403 . 1 525 . 112 ASP CB C 40.6903 . 1 526 . 113 ILE H H 7.596 . 1 527 . 113 ILE HD1 H 0.960 . 1 528 . 113 ILE CD1 C 14.083 . 1 529 . 113 ILE N N 116.365 . 1 530 . 113 ILE CA C 64.2413 . 1 531 . 113 ILE CB C 37.2123 . 1 532 . 114 GLU H H 7.757 . 1 533 . 114 GLU N N 116.594 . 1 534 . 114 GLU CA C 58.8643 . 1 535 . 114 GLU CB C 29.7833 . 1 536 . 115 ALA H H 8.018 . 1 537 . 115 ALA N N 119.757 . 1 538 . 115 ALA CA C 53.1783 . 1 539 . 115 ALA CB C 18.3483 . 1 540 . 116 LEU H H 7.742 . 1 541 . 116 LEU HD1 H 1.208 . 2 542 . 116 LEU HD2 H 0.874 . 2 543 . 116 LEU CD1 C 27.662 . 2 544 . 116 LEU CD2 C 23.367 . 2 545 . 116 LEU N N 113.704 . 1 546 . 116 LEU CA C 54.8283 . 1 547 . 116 LEU CB C 40.8783 . 1 548 . 117 GLN H H 7.701 . 1 549 . 117 GLN HE21 H 7.435 . 2 550 . 117 GLN HE22 H 6.970 . 2 551 . 117 GLN N N 118.624 . 1 552 . 117 GLN NE2 N 111.087 . 1 553 . 117 GLN CA C 59.7883 . 1 554 . 117 GLN CB C 28.7023 . 1 555 . 118 GLY H H 8.526 . 1 556 . 118 GLY N N 107.293 . 1 557 . 118 GLY CA C 45.8083 . 1 558 . 119 VAL H H 8.096 . 1 559 . 119 VAL HG1 H 0.977 . 2 560 . 119 VAL HG2 H 1.034 . 2 561 . 119 VAL CG1 C 22.453 . 2 562 . 119 VAL CG2 C 23.420 . 2 563 . 119 VAL N N 121.000 . 1 564 . 119 VAL CA C 64.3123 . 1 565 . 119 VAL CB C 31.0923 . 1 566 . 120 SER H H 7.608 . 1 567 . 120 SER N N 112.320 . 1 568 . 120 SER CA C 60.2903 . 1 569 . 120 SER CB C 63.1883 . 1 570 . 121 LYS H H 7.155 . 1 571 . 121 LYS N N 119.108 . 1 572 . 121 LYS CA C 55.9793 . 1 573 . 121 LYS CB C 31.3393 . 1 574 . 122 PHE H H 8.250 . 1 575 . 122 PHE HB2 H 3.119 . 2 576 . 122 PHE HD2 H 7.367 . 2 577 . 122 PHE HE2 H 7.313 . 2 578 . 122 PHE N N 120.041 . 1 579 . 122 PHE CA C 54.4083 . 1 580 . 122 PHE CB C 38.6383 . 1 581 . 123 PRO CA C 65.3583 . 1 582 . 123 PRO CB C 31.4783 . 1 583 . 124 ALA H H 8.877 . 1 584 . 124 ALA N N 119.167 . 1 585 . 124 ALA CA C 54.4983 . 1 586 . 124 ALA CB C 18.2183 . 1 587 . 125 ARG H H 8.456 . 1 588 . 125 ARG N N 113.663 . 1 589 . 125 ARG CA C 54.1983 . 1 590 . 125 ARG CB C 28.1483 . 1 591 . 126 ILE H H 7.626 . 1 592 . 126 ILE N N 122.287 . 1 593 . 126 ILE CA C 66.2883 . 1 594 . 126 ILE CB C 37.4883 . 1 595 . 127 LYS H H 7.979 . 1 596 . 127 LYS N N 117.587 . 1 597 . 127 LYS CA C 58.8883 . 1 598 . 127 LYS CB C 31.6833 . 1 599 . 128 CYS H H 7.104 . 1 600 . 128 CYS N N 119.652 . 1 601 . 128 CYS CA C 63.6553 . 1 602 . 128 CYS CB C 29.5503 . 1 603 . 129 ALA H H 7.659 . 1 604 . 129 ALA N N 119.389 . 1 605 . 129 ALA CA C 54.7753 . 1 606 . 129 ALA CB C 18.9503 . 1 607 . 130 THR H H 8.658 . 1 608 . 130 THR N N 105.331 . 1 609 . 130 THR CA C 62.9113 . 1 610 . 130 THR CB C 69.7943 . 1 611 . 131 LEU H H 7.023 . 1 612 . 131 LEU HD1 H 0.736 . 2 613 . 131 LEU HD2 H 0.770 . 2 614 . 131 LEU CD1 C 26.349 . 2 615 . 131 LEU CD2 C 24.378 . 2 616 . 131 LEU N N 124.857 . 1 617 . 131 LEU CA C 59.0983 . 1 618 . 131 LEU CB C 41.2683 . 1 619 . 132 SER H H 8.435 . 1 620 . 132 SER N N 110.805 . 1 621 . 132 SER CA C 61.1713 . 1 622 . 132 SER CB C 59.8863 . 1 623 . 133 TRP H H 6.697 . 1 624 . 133 TRP N N 126.002 . 1 625 . 133 TRP CA C 59.2773 . 1 626 . 133 TRP CB C 27.9153 . 1 627 . 134 LYS H H 8.722 . 1 628 . 134 LYS N N 119.656 . 1 629 . 134 LYS CA C 58.1683 . 1 630 . 134 LYS CB C 31.0783 . 1 631 . 135 ALA H H 7.926 . 1 632 . 135 ALA N N 123.413 . 1 633 . 135 ALA CA C 54.7643 . 1 634 . 135 ALA CB C 16.7473 . 1 635 . 136 LEU H H 7.709 . 1 636 . 136 LEU HD1 H 0.968 . 2 637 . 136 LEU HD2 H 0.772 . 2 638 . 136 LEU CD1 C 26.233 . 2 639 . 136 LEU CD2 C 24.398 . 2 640 . 136 LEU N N 121.408 . 1 641 . 136 LEU CA C 58.3383 . 1 642 . 136 LEU CB C 40.2883 . 1 643 . 137 GLU H H 8.172 . 1 644 . 137 GLU N N 115.927 . 1 645 . 137 GLU CA C 59.6383 . 1 646 . 137 GLU CB C 29.0683 . 1 647 . 138 LYS H H 7.761 . 1 648 . 138 LYS N N 117.822 . 1 649 . 138 LYS CA C 58.2303 . 1 650 . 138 LYS CB C 31.7883 . 1 651 . 139 GLY H H 8.431 . 1 652 . 139 GLY N N 106.505 . 1 653 . 139 GLY CA C 46.8883 . 1 654 . 140 VAL H H 7.682 . 1 655 . 140 VAL HG1 H 0.902 . 2 656 . 140 VAL HG2 H 0.851 . 2 657 . 140 VAL CG1 C 18.920 . 2 658 . 140 VAL CG2 C 21.592 . 2 659 . 140 VAL N N 109.281 . 1 660 . 140 VAL CA C 61.2993 . 1 661 . 140 VAL CB C 31.5103 . 1 662 . 141 ALA H H 7.500 . 1 663 . 141 ALA N N 124.235 . 1 664 . 141 ALA CA C 52.7353 . 1 665 . 141 ALA CB C 18.6233 . 1 666 . 142 LYS CA C 56.5663 . 1 667 . 142 LYS CB C 32.6873 . 1 668 . 143 GLU H H 8.490 . 1 669 . 143 GLU N N 121.660 . 1 670 . 143 GLU CA C 56.3843 . 1 671 . 143 GLU CB C 29.8753 . 1 672 . 144 GLU H H 8.550 . 1 673 . 144 GLU N N 122.327 . 1 674 . 144 GLU CA C 56.5983 . 1 675 . 144 GLU CB C 29.7483 . 1 676 . 145 GLY H H 8.550 . 1 677 . 145 GLY N N 110.207 . 1 678 . 145 GLY CA C 45.3123 . 1 679 . 146 GLY CA C 45.2323 . 1 680 . 147 ASN CA C 53.2783 . 1 681 . 147 ASN CB C 38.5363 . 1 stop_ save_