data_7281 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR STRUCTURE OF PROTEIN YJBR FROM ESCHERICHIA COLI;NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET ER226 ; _BMRB_accession_number 7281 _BMRB_flat_file_name bmr7281.str _Entry_type original _Submission_date 2006-08-29 _Accession_date 2006-08-29 _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 SINGARAPU KIRAN K. . 2 GAOHUA LIU . . 3 XIAO RONG . . 4 SHETTY KARISHMA G. . 5 GAETANO MONTELIONE T. . 6 SZYPERSKI THOMAS . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 695 "13C chemical shifts" 507 "15N chemical shifts" 113 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-17 update BMRB 'complete entry citation' 2006-10-23 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structure of protein yjbR from Escherichia coli reveals 'double-wing' DNA binding motif. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17266124 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Singarapu Kiran K. . 2 Liu Gaohua . . 3 Xiao Rong . . 4 Bertonati Claudia . . 5 Honig Barry . . 6 Montelione Gaetano T. . 7 Szyperski Thomas . . stop_ _Journal_abbreviation Proteins _Journal_volume 67 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 501 _Page_last 504 _Year 2007 _Details . loop_ _Keyword 'GFT NMR' 'PROTEIN STRUCTURE' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'protein yjbR monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'protein yjbR monomer' $protein_yjbR stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_protein_yjbR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'protein yjbR' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; MTISELLQYCMAKPGAEQSV HNDWKATQIKVEDVLFAMVK EVENRPAVSLKTSPELAELL RQQHSDVRPSRHLNKAHWST VYLDGSLPDSQIYYLVDASY QQAVNLLPEEKRKLLVQLLE HHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 ILE 4 SER 5 GLU 6 LEU 7 LEU 8 GLN 9 TYR 10 CYS 11 MET 12 ALA 13 LYS 14 PRO 15 GLY 16 ALA 17 GLU 18 GLN 19 SER 20 VAL 21 HIS 22 ASN 23 ASP 24 TRP 25 LYS 26 ALA 27 THR 28 GLN 29 ILE 30 LYS 31 VAL 32 GLU 33 ASP 34 VAL 35 LEU 36 PHE 37 ALA 38 MET 39 VAL 40 LYS 41 GLU 42 VAL 43 GLU 44 ASN 45 ARG 46 PRO 47 ALA 48 VAL 49 SER 50 LEU 51 LYS 52 THR 53 SER 54 PRO 55 GLU 56 LEU 57 ALA 58 GLU 59 LEU 60 LEU 61 ARG 62 GLN 63 GLN 64 HIS 65 SER 66 ASP 67 VAL 68 ARG 69 PRO 70 SER 71 ARG 72 HIS 73 LEU 74 ASN 75 LYS 76 ALA 77 HIS 78 TRP 79 SER 80 THR 81 VAL 82 TYR 83 LEU 84 ASP 85 GLY 86 SER 87 LEU 88 PRO 89 ASP 90 SER 91 GLN 92 ILE 93 TYR 94 TYR 95 LEU 96 VAL 97 ASP 98 ALA 99 SER 100 TYR 101 GLN 102 GLN 103 ALA 104 VAL 105 ASN 106 LEU 107 LEU 108 PRO 109 GLU 110 GLU 111 LYS 112 ARG 113 LYS 114 LEU 115 LEU 116 VAL 117 GLN 118 LEU 119 LEU 120 GLU 121 HIS 122 HIS 123 HIS 124 HIS 125 HIS 126 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 2FKI "Nmr Structure Of Protein Yjbr From Escherichia Coli; Northeast Structural Genomics Consortium Target Er226" 100.00 126 100.00 100.00 5.81e-86 DBJ BAB38462 "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" 93.65 118 100.00 100.00 8.99e-80 DBJ BAE78059 "conserved hypothetical protein [Escherichia coli str. K-12 substr. W3110]" 93.65 118 100.00 100.00 8.99e-80 DBJ BAG79875 "conserved hypothetical protein [Escherichia coli SE11]" 93.65 118 100.00 100.00 8.99e-80 DBJ BAI28319 "conserved predicted protein [Escherichia coli O26:H11 str. 11368]" 93.65 118 100.00 100.00 8.99e-80 DBJ BAI33496 "conserved predicted protein [Escherichia coli O103:H2 str. 12009]" 93.65 118 100.00 100.00 8.99e-80 EMBL CAP78523 "Uncharacterized protein yjbR [Escherichia coli LF82]" 93.65 118 100.00 100.00 8.99e-80 EMBL CAQ34406 "conserved protein [Escherichia coli BL21(DE3)]" 93.65 118 100.00 100.00 8.99e-80 EMBL CAQ91581 "conserved hypothetical protein [Escherichia fergusonii ATCC 35469]" 93.65 118 99.15 99.15 3.48e-79 EMBL CAR01037 "conserved hypothetical protein [Escherichia coli IAI1]" 93.65 118 100.00 100.00 8.99e-80 EMBL CAR05706 "conserved hypothetical protein [Escherichia coli S88]" 93.65 118 100.00 100.00 8.99e-80 GB AAC43151 "ORF_o118 [Escherichia coli str. K-12 substr. MG1655]" 93.65 118 97.46 97.46 6.56e-77 GB AAC77027 "DUF419 family protein [Escherichia coli str. K-12 substr. MG1655]" 93.65 118 100.00 100.00 8.99e-80 GB AAG59255 "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" 93.65 118 100.00 100.00 8.99e-80 GB AAN45569 "conserved hypothetical protein [Shigella flexneri 2a str. 301]" 93.65 118 99.15 99.15 1.05e-78 GB AAN83473 "Protein yjbR [Escherichia coli CFT073]" 93.65 118 99.15 99.15 8.07e-79 REF NP_290690 "hypothetical protein Z5656 [Escherichia coli O157:H7 str. EDL933]" 93.65 118 100.00 100.00 8.99e-80 REF NP_313066 "hypothetical protein ECs5039 [Escherichia coli O157:H7 str. Sakai]" 93.65 118 100.00 100.00 8.99e-80 REF NP_418481 "DUF419 family protein [Escherichia coli str. K-12 substr. MG1655]" 93.65 118 100.00 100.00 8.99e-80 REF NP_709862 "hypothetical protein SF4147 [Shigella flexneri 2a str. 301]" 93.65 118 99.15 99.15 1.05e-78 REF NP_756899 "hypothetical protein c5047 [Escherichia coli CFT073]" 93.65 118 99.15 99.15 8.07e-79 SP P0AF50 "RecName: Full=Uncharacterized protein YjbR [Escherichia coli K-12]" 93.65 118 100.00 100.00 8.99e-80 SP P0AF51 "RecName: Full=Uncharacterized protein YjbR [Escherichia coli O157:H7]" 93.65 118 100.00 100.00 8.99e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $protein_yjbR 'E. coli' 562 Eukaryota . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $protein_yjbR 'enzymatic semisynthesis' . . . . . 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 $protein_yjbR 1.16 mM '[U-13C; U-15N]' DTT 100 mM . CaCl2 5 mM . NaCl 100 mM . MES 20 mM . NaN3 0.02 % . D2O 5 % . H2O 95 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_750MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model UNITY _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $sample_1 save_ save_4,3D,_GFT_HNNCABCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '4,3D, GFT HNNCABCA' _Sample_label $sample_1 save_ save_4,3D,_GFT_CABCACONNH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '4,3D, GFT CABCACONNH' _Sample_label $sample_1 save_ save_4,3D,_GFT_HABCABCONNH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '4,3D, GFT HABCABCONNH' _Sample_label $sample_1 save_ save_15N-13C,_3D_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-13C, 3D NOESY' _Sample_label $sample_1 save_ save_2D_1H13C_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H13C HSQC' _Sample_label $sample_1 save_ save_4,3D,_GFT_HCCH_COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '4,3D, GFT HCCH COSY' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H,_13C_aro_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H, 13C aro NOESY' _Sample_label $sample_1 save_ save_3D,_HCCH_COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D, HCCH COSY' _Sample_label $sample_1 save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_4_3D_GFT_HNNCABCA _Saveframe_category NMR_applied_experiment _Experiment_name '4,3D, GFT HNNCABCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_4_3D_GFT_CABCACONNH _Saveframe_category NMR_applied_experiment _Experiment_name '4,3D, GFT CABCACONNH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_4_3D_GFT_HABCABCONNH _Saveframe_category NMR_applied_experiment _Experiment_name '4,3D, GFT HABCABCONNH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N-13C_3D_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '15N-13C, 3D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_2D_1H13C_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_4_3D_GFT_HCCH_COSY _Saveframe_category NMR_applied_experiment _Experiment_name '4,3D, GFT HCCH COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_1H_13C_aro_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H, 13C aro NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HCCH_COSY _Saveframe_category NMR_applied_experiment _Experiment_name '3D, HCCH COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details '5% D2O, 0.02% NaN3, 100mM DTT, 5mM CaCl2, 100mM NaCl, 20mM MES, pH 6.5' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 pH temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 . . . 1.0 $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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 1H15N_HSQC stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'protein yjbR monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.34 . 1 2 1 1 MET HB2 H 2.00 . 2 3 1 1 MET HB3 H 2.28 . 2 4 1 1 MET HG2 H 2.33 . 2 5 1 1 MET HG3 H 2.70 . 2 6 1 1 MET HE H 1.12 . 1 7 1 1 MET C C 172.3 . 1 8 1 1 MET CA C 54.8 . 1 9 1 1 MET CB C 32.8 . 1 10 1 1 MET CG C 30.0 . 1 11 1 1 MET CE C 16.5 . 1 12 2 2 THR H H 8.74 . 1 13 2 2 THR HA H 4.62 . 1 14 2 2 THR HB H 4.75 . 1 15 2 2 THR HG2 H 1.32 . 1 16 2 2 THR C C 175.7 . 1 17 2 2 THR CA C 60.1 . 1 18 2 2 THR CB C 71.5 . 1 19 2 2 THR CG2 C 22.0 . 1 20 2 2 THR N N 113.1 . 1 21 3 3 ILE H H 8.95 . 1 22 3 3 ILE HA H 3.59 . 1 23 3 3 ILE HB H 1.87 . 1 24 3 3 ILE HG12 H 1.07 . 2 25 3 3 ILE HG13 H 1.73 . 2 26 3 3 ILE HG2 H 0.94 . 1 27 3 3 ILE HD1 H 0.91 . 1 28 3 3 ILE C C 177.6 . 1 29 3 3 ILE CA C 65.7 . 1 30 3 3 ILE CB C 37.6 . 1 31 3 3 ILE CG1 C 30.0 . 1 32 3 3 ILE CG2 C 17.4 . 1 33 3 3 ILE CD1 C 13.1 . 1 34 3 3 ILE N N 120.9 . 1 35 4 4 SER H H 8.31 . 1 36 4 4 SER HA H 4.15 . 1 37 4 4 SER HB2 H 3.88 . 2 38 4 4 SER HB3 H 3.90 . 2 39 4 4 SER C C 177.4 . 1 40 4 4 SER CA C 62.1 . 1 41 4 4 SER CB C 62.5 . 1 42 4 4 SER N N 113.9 . 1 43 5 5 GLU H H 7.80 . 1 44 5 5 GLU HA H 4.04 . 1 45 5 5 GLU HB2 H 2.08 . 2 46 5 5 GLU HB3 H 2.33 . 2 47 5 5 GLU HG2 H 2.37 . 2 48 5 5 GLU HG3 H 2.35 . 2 49 5 5 GLU C C 179.5 . 1 50 5 5 GLU CA C 59.5 . 1 51 5 5 GLU CB C 30.0 . 1 52 5 5 GLU CG C 37.7 . 1 53 5 5 GLU N N 122.3 . 1 54 6 6 LEU H H 8.11 . 1 55 6 6 LEU HA H 4.34 . 1 56 6 6 LEU HB2 H 2.02 . 2 57 6 6 LEU HB3 H 1.79 . 2 58 6 6 LEU HG H 1.64 . 1 59 6 6 LEU HD1 H 0.92 . 2 60 6 6 LEU HD2 H 0.94 . 2 61 6 6 LEU C C 179.7 . 1 62 6 6 LEU CA C 57.9 . 1 63 6 6 LEU CB C 40.7 . 1 64 6 6 LEU CG C 27.8 . 1 65 6 6 LEU CD1 C 26.8 . 1 66 6 6 LEU CD2 C 23.8 . 1 67 6 6 LEU N N 122.4 . 1 68 7 7 LEU H H 9.13 . 1 69 7 7 LEU HA H 3.85 . 1 70 7 7 LEU HB2 H 1.89 . 2 71 7 7 LEU HB3 H 1.59 . 2 72 7 7 LEU HG H 1.77 . 1 73 7 7 LEU HD1 H 0.92 . 2 74 7 7 LEU HD2 H 0.82 . 2 75 7 7 LEU C C 178.8 . 1 76 7 7 LEU CA C 58.9 . 1 77 7 7 LEU CB C 41.7 . 1 78 7 7 LEU CG C 27.3 . 1 79 7 7 LEU CD1 C 25.6 . 1 80 7 7 LEU CD2 C 24.2 . 1 81 7 7 LEU N N 121.3 . 1 82 8 8 GLN H H 8.10 . 1 83 8 8 GLN HA H 3.94 . 1 84 8 8 GLN HB2 H 2.17 . 2 85 8 8 GLN HB3 H 2.22 . 2 86 8 8 GLN HG2 H 2.53 . 2 87 8 8 GLN HG3 H 2.42 . 2 88 8 8 GLN C C 178.4 . 1 89 8 8 GLN CA C 59.1 . 1 90 8 8 GLN CB C 28.6 . 1 91 8 8 GLN CG C 34.5 . 1 92 8 8 GLN N N 117.6 . 1 93 9 9 TYR H H 7.89 . 1 94 9 9 TYR HA H 4.05 . 1 95 9 9 TYR HB2 H 3.25 . 2 96 9 9 TYR HB3 H 3.43 . 2 97 9 9 TYR HD1 H 6.83 . 1 98 9 9 TYR HD2 H 6.83 . 1 99 9 9 TYR HE1 H 6.59 . 1 100 9 9 TYR HE2 H 6.59 . 1 101 9 9 TYR C C 179.0 . 1 102 9 9 TYR CA C 62.2 . 1 103 9 9 TYR CB C 39.8 . 1 104 9 9 TYR CD1 C 132.7 . 1 105 9 9 TYR CD2 C 132.8 . 1 106 9 9 TYR CE1 C 117.6 . 1 107 9 9 TYR CE2 C 117.6 . 1 108 9 9 TYR N N 120.4 . 1 109 10 10 CYS H H 8.56 . 1 110 10 10 CYS HA H 3.99 . 1 111 10 10 CYS HB2 H 3.17 . 2 112 10 10 CYS HB3 H 2.61 . 2 113 10 10 CYS C C 176.3 . 1 114 10 10 CYS CA C 64.9 . 1 115 10 10 CYS CB C 28.2 . 1 116 10 10 CYS N N 116.2 . 1 117 11 11 MET H H 8.37 . 1 118 11 11 MET HA H 4.54 . 1 119 11 11 MET HB2 H 2.10 . 2 120 11 11 MET HB3 H 2.05 . 2 121 11 11 MET HG2 H 2.52 . 2 122 11 11 MET HG3 H 2.68 . 2 123 11 11 MET HE H 2.02 . 1 124 11 11 MET C C 176.8 . 1 125 11 11 MET CA C 54.6 . 1 126 11 11 MET CB C 29.6 . 1 127 11 11 MET CG C 31.8 . 1 128 11 11 MET CE C 15.5 . 1 129 11 11 MET N N 113.1 . 1 130 12 12 ALA H H 7.15 . 1 131 12 12 ALA HA H 4.29 . 1 132 12 12 ALA HB H 1.30 . 1 133 12 12 ALA C C 178.3 . 1 134 12 12 ALA CA C 51.9 . 1 135 12 12 ALA CB C 18.7 . 1 136 12 12 ALA N N 120.8 . 1 137 13 13 LYS H H 7.17 . 1 138 13 13 LYS HA H 4.07 . 1 139 13 13 LYS HB2 H 1.63 . 2 140 13 13 LYS HB3 H 0.58 . 2 141 13 13 LYS HG2 H 1.27 . 2 142 13 13 LYS HG3 H 0.71 . 2 143 13 13 LYS HD2 H 0.87 . 2 144 13 13 LYS HD3 H 0.53 . 2 145 13 13 LYS HE2 H 2.21 . 1 146 13 13 LYS HE3 H 2.21 . 1 147 13 13 LYS CA C 52.9 . 1 148 13 13 LYS CB C 31.3 . 1 149 13 13 LYS CG C 24.1 . 1 150 13 13 LYS CD C 28.2 . 1 151 13 13 LYS CE C 42.1 . 1 152 13 13 LYS N N 119.8 . 1 153 14 14 PRO HA H 4.26 . 1 154 14 14 PRO HB2 H 2.23 . 2 155 14 14 PRO HB3 H 1.89 . 2 156 14 14 PRO HG2 H 1.90 . 2 157 14 14 PRO HG3 H 2.15 . 2 158 14 14 PRO HD2 H 3.81 . 2 159 14 14 PRO HD3 H 3.32 . 2 160 14 14 PRO C C 178.1 . 1 161 14 14 PRO CA C 63.9 . 1 162 14 14 PRO CB C 31.9 . 1 163 14 14 PRO CG C 28.2 . 1 164 14 14 PRO CD C 49.9 . 1 165 15 15 GLY H H 9.07 . 1 166 15 15 GLY HA2 H 4.08 . 2 167 15 15 GLY HA3 H 3.83 . 2 168 15 15 GLY C C 173.8 . 1 169 15 15 GLY CA C 46.1 . 1 170 15 15 GLY N N 112.5 . 1 171 16 16 ALA H H 7.69 . 1 172 16 16 ALA HA H 5.11 . 1 173 16 16 ALA HB H 1.61 . 1 174 16 16 ALA C C 178.2 . 1 175 16 16 ALA CA C 53.4 . 1 176 16 16 ALA CB C 21.3 . 1 177 16 16 ALA N N 122.9 . 1 178 17 17 GLU H H 9.27 . 1 179 17 17 GLU HA H 4.68 . 1 180 17 17 GLU HB2 H 2.05 . 2 181 17 17 GLU HB3 H 1.92 . 2 182 17 17 GLU HG2 H 2.26 . 2 183 17 17 GLU HG3 H 2.39 . 2 184 17 17 GLU C C 174.9 . 1 185 17 17 GLU CA C 55.4 . 1 186 17 17 GLU CB C 34.1 . 1 187 17 17 GLU CG C 36.4 . 1 188 17 17 GLU N N 120.8 . 1 189 18 18 GLN H H 9.19 . 1 190 18 18 GLN HA H 5.68 . 1 191 18 18 GLN HB2 H 2.18 . 2 192 18 18 GLN HB3 H 2.16 . 2 193 18 18 GLN HG2 H 2.20 . 2 194 18 18 GLN HG3 H 2.32 . 2 195 18 18 GLN HE21 H 7.05 . 2 196 18 18 GLN HE22 H 6.78 . 2 197 18 18 GLN C C 175.0 . 1 198 18 18 GLN CA C 53.9 . 1 199 18 18 GLN CB C 32.3 . 1 200 18 18 GLN CG C 34.0 . 1 201 18 18 GLN N N 124.1 . 1 202 18 18 GLN NE2 N 108.5 . 1 203 19 19 SER H H 9.00 . 1 204 19 19 SER HA H 4.72 . 1 205 19 19 SER HB2 H 3.84 . 2 206 19 19 SER HB3 H 3.90 . 2 207 19 19 SER C C 173.1 . 1 208 19 19 SER CA C 57.7 . 1 209 19 19 SER CB C 65.2 . 1 210 19 19 SER N N 116.4 . 1 211 20 20 VAL H H 8.64 . 1 212 20 20 VAL HA H 4.65 . 1 213 20 20 VAL HB H 2.00 . 1 214 20 20 VAL HG1 H 0.83 . 2 215 20 20 VAL HG2 H 0.91 . 2 216 20 20 VAL C C 175.5 . 1 217 20 20 VAL CA C 61.9 . 1 218 20 20 VAL CB C 33.6 . 1 219 20 20 VAL CG1 C 21.0 . 1 220 20 20 VAL CG2 C 21.3 . 1 221 20 20 VAL N N 121.3 . 1 222 21 21 HIS H H 8.87 . 1 223 21 21 HIS HA H 4.59 . 1 224 21 21 HIS HB2 H 3.08 . 2 225 21 21 HIS HB3 H 3.17 . 2 226 21 21 HIS HD2 H 7.11 . 1 227 21 21 HIS C C 180.9 . 1 228 21 21 HIS CA C 55.9 . 1 229 21 21 HIS CB C 29.7 . 1 230 21 21 HIS CD2 C 119.6 . 1 231 21 21 HIS N N 128.0 . 1 232 22 22 ASN H H 8.61 . 1 233 22 22 ASN HA H 4.44 . 1 234 22 22 ASN HB2 H 2.73 . 2 235 22 22 ASN HB3 H 2.62 . 2 236 22 22 ASN HD21 H 7.51 . 2 237 22 22 ASN HD22 H 7.05 . 2 238 22 22 ASN C C 176.7 . 1 239 22 22 ASN CA C 55.9 . 1 240 22 22 ASN CB C 39.3 . 1 241 22 22 ASN N N 123.9 . 1 242 22 22 ASN ND2 N 113.6 . 1 243 23 23 ASP H H 8.46 . 1 244 23 23 ASP HA H 4.51 . 1 245 23 23 ASP HB2 H 2.57 . 2 246 23 23 ASP HB3 H 2.23 . 2 247 23 23 ASP CA C 56.6 . 1 248 23 23 ASP CB C 40.7 . 1 249 23 23 ASP N N 119.3 . 1 250 24 24 TRP H H 8.82 . 1 251 24 24 TRP HA H 4.73 . 1 252 24 24 TRP HB2 H 2.59 . 2 253 24 24 TRP HB3 H 2.72 . 2 254 24 24 TRP HD1 H 6.68 . 1 255 24 24 TRP HE1 H 9.92 . 1 256 24 24 TRP HE3 H 6.74 . 1 257 24 24 TRP HZ2 H 7.36 . 1 258 24 24 TRP HZ3 H 6.44 . 1 259 24 24 TRP HH2 H 6.90 . 1 260 24 24 TRP C C 175.4 . 1 261 24 24 TRP CA C 55.0 . 1 262 24 24 TRP CD1 C 123.4 . 1 263 24 24 TRP CE3 C 118.5 . 1 264 24 24 TRP CZ2 C 114.0 . 1 265 24 24 TRP CZ3 C 120.4 . 1 266 24 24 TRP CH2 C 123.9 . 1 267 24 24 TRP NE1 N 127.5 . 1 268 25 25 LYS H H 8.12 . 1 269 25 25 LYS HA H 3.98 . 1 270 25 25 LYS HB2 H 1.90 . 2 271 25 25 LYS HB3 H 2.03 . 2 272 25 25 LYS HG2 H 1.39 . 2 273 25 25 LYS HG3 H 1.41 . 2 274 25 25 LYS HD2 H 1.68 . 2 275 25 25 LYS HD3 H 1.73 . 2 276 25 25 LYS HE2 H 3.05 . 1 277 25 25 LYS HE3 H 3.05 . 1 278 25 25 LYS C C 175.0 . 1 279 25 25 LYS CA C 56.7 . 1 280 25 25 LYS CB C 29.5 . 1 281 25 25 LYS CG C 25.1 . 1 282 25 25 LYS CD C 29.2 . 1 283 25 25 LYS CE C 42.5 . 1 284 25 25 LYS N N 118.2 . 1 285 26 26 ALA H H 7.71 . 1 286 26 26 ALA HA H 5.15 . 1 287 26 26 ALA HB H 1.34 . 1 288 26 26 ALA C C 176.5 . 1 289 26 26 ALA CA C 50.0 . 1 290 26 26 ALA CB C 24.3 . 1 291 26 26 ALA N N 118.8 . 1 292 27 27 THR H H 8.75 . 1 293 27 27 THR HA H 4.71 . 1 294 27 27 THR HB H 3.98 . 1 295 27 27 THR HG2 H 1.13 . 1 296 27 27 THR C C 173.7 . 1 297 27 27 THR CA C 63.2 . 1 298 27 27 THR CB C 69.5 . 1 299 27 27 THR CG2 C 22.2 . 1 300 27 27 THR N N 118.4 . 1 301 28 28 GLN H H 9.47 . 1 302 28 28 GLN HA H 4.60 . 1 303 28 28 GLN HB2 H 1.68 . 2 304 28 28 GLN HB3 H 2.21 . 2 305 28 28 GLN HG2 H 2.33 . 2 306 28 28 GLN HG3 H 1.89 . 2 307 28 28 GLN HE21 H 6.40 . 2 308 28 28 GLN HE22 H 7.23 . 2 309 28 28 GLN C C 173.9 . 1 310 28 28 GLN CA C 55.7 . 1 311 28 28 GLN CB C 30.9 . 1 312 28 28 GLN CG C 35.4 . 1 313 28 28 GLN N N 127.0 . 1 314 28 28 GLN NE2 N 109.7 . 1 315 29 29 ILE H H 8.78 . 1 316 29 29 ILE HA H 4.90 . 1 317 29 29 ILE HB H 1.11 . 1 318 29 29 ILE HG12 H 1.15 . 2 319 29 29 ILE HG13 H 0.98 . 2 320 29 29 ILE HG2 H 0.72 . 1 321 29 29 ILE HD1 H 0.68 . 1 322 29 29 ILE C C 174.1 . 1 323 29 29 ILE CA C 60.5 . 1 324 29 29 ILE CB C 37.4 . 1 325 29 29 ILE CG1 C 27.9 . 1 326 29 29 ILE CG2 C 22.4 . 1 327 29 29 ILE CD1 C 13.7 . 1 328 29 29 ILE N N 121.7 . 1 329 30 30 LYS H H 8.94 . 1 330 30 30 LYS HA H 5.39 . 1 331 30 30 LYS HB2 H 1.44 . 2 332 30 30 LYS HB3 H 1.72 . 2 333 30 30 LYS HG2 H 1.36 . 2 334 30 30 LYS HG3 H 0.97 . 2 335 30 30 LYS HD2 H 1.44 . 2 336 30 30 LYS HD3 H 1.62 . 2 337 30 30 LYS HE2 H 2.71 . 1 338 30 30 LYS HE3 H 2.71 . 1 339 30 30 LYS C C 175.3 . 1 340 30 30 LYS CA C 54.4 . 1 341 30 30 LYS CB C 37.5 . 1 342 30 30 LYS CG C 25.9 . 1 343 30 30 LYS CD C 30.1 . 1 344 30 30 LYS CE C 42.5 . 1 345 30 30 LYS N N 126.5 . 1 346 31 31 VAL H H 9.36 . 1 347 31 31 VAL HA H 4.85 . 1 348 31 31 VAL HB H 1.94 . 1 349 31 31 VAL HG1 H 1.00 . 2 350 31 31 VAL HG2 H 0.92 . 2 351 31 31 VAL C C 174.4 . 1 352 31 31 VAL CA C 59.2 . 1 353 31 31 VAL CB C 34.4 . 1 354 31 31 VAL CG1 C 22.8 . 1 355 31 31 VAL CG2 C 19.3 . 1 356 31 31 VAL N N 119.3 . 1 357 32 32 GLU H H 8.89 . 1 358 32 32 GLU HA H 3.77 . 1 359 32 32 GLU HB2 H 2.06 . 2 360 32 32 GLU HB3 H 2.23 . 2 361 32 32 GLU HG2 H 2.31 . 2 362 32 32 GLU HG3 H 2.28 . 2 363 32 32 GLU C C 174.8 . 1 364 32 32 GLU CA C 57.4 . 1 365 32 32 GLU CB C 27.7 . 1 366 32 32 GLU CG C 35.0 . 1 367 32 32 GLU N N 126.4 . 1 368 33 33 ASP H H 8.56 . 1 369 33 33 ASP HA H 4.27 . 1 370 33 33 ASP HB2 H 2.84 . 2 371 33 33 ASP HB3 H 2.94 . 2 372 33 33 ASP C C 175.7 . 1 373 33 33 ASP CA C 56.1 . 1 374 33 33 ASP CB C 41.2 . 1 375 33 33 ASP N N 110.6 . 1 376 34 34 VAL H H 8.50 . 1 377 34 34 VAL HA H 4.25 . 1 378 34 34 VAL HB H 2.30 . 1 379 34 34 VAL HG1 H 0.95 . 2 380 34 34 VAL HG2 H 1.13 . 2 381 34 34 VAL C C 176.2 . 1 382 34 34 VAL CA C 62.5 . 1 383 34 34 VAL CB C 32.5 . 1 384 34 34 VAL CG1 C 21.9 . 1 385 34 34 VAL CG2 C 22.7 . 1 386 34 34 VAL N N 122.8 . 1 387 35 35 LEU H H 8.82 . 1 388 35 35 LEU HA H 4.29 . 1 389 35 35 LEU HB2 H 2.05 . 2 390 35 35 LEU HB3 H 1.52 . 2 391 35 35 LEU HG H 1.60 . 1 392 35 35 LEU HD1 H 0.87 . 2 393 35 35 LEU HD2 H 0.49 . 2 394 35 35 LEU C C 176.4 . 1 395 35 35 LEU CA C 57.0 . 1 396 35 35 LEU CB C 43.6 . 1 397 35 35 LEU CG C 26.9 . 1 398 35 35 LEU CD1 C 25.5 . 1 399 35 35 LEU CD2 C 26.7 . 1 400 35 35 LEU N N 130.1 . 1 401 36 36 PHE H H 9.19 . 1 402 36 36 PHE HA H 5.38 . 1 403 36 36 PHE HB2 H 2.84 . 2 404 36 36 PHE HB3 H 3.34 . 2 405 36 36 PHE HD1 H 7.36 . 1 406 36 36 PHE HD2 H 7.36 . 1 407 36 36 PHE HE1 H 7.17 . 1 408 36 36 PHE HE2 H 7.17 . 1 409 36 36 PHE HZ H 7.44 . 1 410 36 36 PHE C C 174.1 . 1 411 36 36 PHE CA C 56.7 . 1 412 36 36 PHE CB C 42.0 . 1 413 36 36 PHE CD1 C 133.2 . 1 414 36 36 PHE CD2 C 133.2 . 1 415 36 36 PHE CE1 C 130.7 . 1 416 36 36 PHE CE2 C 130.7 . 1 417 36 36 PHE CZ C 130.8 . 1 418 36 36 PHE N N 117.7 . 1 419 37 37 ALA H H 7.81 . 1 420 37 37 ALA HA H 5.46 . 1 421 37 37 ALA HB H 1.17 . 1 422 37 37 ALA C C 175.1 . 1 423 37 37 ALA CA C 52.8 . 1 424 37 37 ALA CB C 22.3 . 1 425 37 37 ALA N N 123.9 . 1 426 38 38 MET H H 8.44 . 1 427 38 38 MET HA H 5.32 . 1 428 38 38 MET HB2 H 1.96 . 2 429 38 38 MET HB3 H 1.63 . 2 430 38 38 MET HG2 H 2.02 . 2 431 38 38 MET HG3 H 2.21 . 2 432 38 38 MET HE H 1.64 . 1 433 38 38 MET C C 173.9 . 1 434 38 38 MET CA C 55.0 . 1 435 38 38 MET CB C 37.6 . 1 436 38 38 MET CG C 32.7 . 1 437 38 38 MET CE C 18.0 . 1 438 38 38 MET N N 119.3 . 1 439 39 39 VAL H H 9.31 . 1 440 39 39 VAL HA H 4.84 . 1 441 39 39 VAL HB H 2.03 . 1 442 39 39 VAL HG1 H 0.92 . 2 443 39 39 VAL HG2 H 1.05 . 2 444 39 39 VAL C C 174.3 . 1 445 39 39 VAL CA C 61.9 . 1 446 39 39 VAL CB C 34.0 . 1 447 39 39 VAL CG1 C 21.3 . 1 448 39 39 VAL CG2 C 22.1 . 1 449 39 39 VAL N N 128.0 . 1 450 40 40 LYS H H 8.47 . 1 451 40 40 LYS HA H 4.70 . 1 452 40 40 LYS HB2 H 1.90 . 2 453 40 40 LYS HB3 H 1.78 . 2 454 40 40 LYS HG2 H 1.24 . 2 455 40 40 LYS HG3 H 1.33 . 2 456 40 40 LYS HD2 H 1.44 . 2 457 40 40 LYS HD3 H 1.41 . 2 458 40 40 LYS HE2 H 2.81 . 1 459 40 40 LYS HE3 H 2.81 . 1 460 40 40 LYS C C 173.3 . 1 461 40 40 LYS CA C 56.0 . 1 462 40 40 LYS CB C 34.9 . 1 463 40 40 LYS CG C 23.3 . 1 464 40 40 LYS CD C 29.3 . 1 465 40 40 LYS CE C 42.1 . 1 466 40 40 LYS N N 125.4 . 1 467 41 41 GLU H H 8.59 . 1 468 41 41 GLU HA H 4.89 . 1 469 41 41 GLU HB2 H 1.92 . 2 470 41 41 GLU HB3 H 1.77 . 2 471 41 41 GLU HG2 H 2.22 . 2 472 41 41 GLU HG3 H 2.00 . 2 473 41 41 GLU C C 176.4 . 1 474 41 41 GLU CA C 56.5 . 1 475 41 41 GLU CB C 30.9 . 1 476 41 41 GLU CG C 36.7 . 1 477 41 41 GLU N N 121.8 . 1 478 42 42 VAL H H 9.07 . 1 479 42 42 VAL HA H 4.22 . 1 480 42 42 VAL HB H 1.92 . 1 481 42 42 VAL HG1 H 0.97 . 2 482 42 42 VAL HG2 H 0.85 . 2 483 42 42 VAL C C 175.4 . 1 484 42 42 VAL CA C 61.7 . 1 485 42 42 VAL CB C 34.5 . 1 486 42 42 VAL CG1 C 21.3 . 1 487 42 42 VAL CG2 C 21.3 . 1 488 42 42 VAL N N 125.4 . 1 489 43 43 GLU H H 9.24 . 1 490 43 43 GLU HA H 3.79 . 1 491 43 43 GLU HB2 H 2.15 . 2 492 43 43 GLU HB3 H 2.22 . 2 493 43 43 GLU HG2 H 2.28 . 1 494 43 43 GLU HG3 H 2.28 . 1 495 43 43 GLU C C 175.7 . 1 496 43 43 GLU CA C 57.6 . 1 497 43 43 GLU CB C 27.3 . 1 498 43 43 GLU CG C 36.7 . 1 499 43 43 GLU N N 125.4 . 1 500 44 44 ASN H H 8.76 . 1 501 44 44 ASN HA H 4.23 . 1 502 44 44 ASN HB2 H 3.04 . 2 503 44 44 ASN HB3 H 3.08 . 2 504 44 44 ASN HD21 H 6.86 . 2 505 44 44 ASN HD22 H 7.54 . 2 506 44 44 ASN C C 178.2 . 1 507 44 44 ASN CA C 54.9 . 1 508 44 44 ASN CB C 37.9 . 1 509 44 44 ASN N N 108.0 . 1 510 44 44 ASN ND2 N 113.1 . 1 511 45 45 ARG H H 8.07 . 1 512 45 45 ARG HA H 4.10 . 1 513 45 45 ARG HB2 H 1.99 . 2 514 45 45 ARG HB3 H 2.00 . 2 515 45 45 ARG HG2 H 2.15 . 2 516 45 45 ARG HG3 H 2.26 . 2 517 45 45 ARG HD2 H 3.17 . 2 518 45 45 ARG HD3 H 3.29 . 2 519 45 45 ARG CA C 57.7 . 1 520 45 45 ARG CB C 30.1 . 1 521 45 45 ARG CG C 27.3 . 1 522 45 45 ARG CD C 43.1 . 1 523 45 45 ARG N N 120.3 . 1 524 46 46 PRO HA H 4.49 . 1 525 46 46 PRO HB2 H 2.37 . 2 526 46 46 PRO HB3 H 1.91 . 2 527 46 46 PRO HG2 H 2.21 . 1 528 46 46 PRO HG3 H 2.21 . 1 529 46 46 PRO HD2 H 3.81 . 2 530 46 46 PRO HD3 H 3.80 . 2 531 46 46 PRO C C 176.1 . 1 532 46 46 PRO CA C 62.8 . 1 533 46 46 PRO CB C 32.3 . 1 534 46 46 PRO CG C 28.1 . 1 535 46 46 PRO CD C 50.0 . 1 536 47 47 ALA H H 8.28 . 1 537 47 47 ALA HA H 5.21 . 1 538 47 47 ALA HB H 1.18 . 1 539 47 47 ALA C C 174.4 . 1 540 47 47 ALA CA C 51.4 . 1 541 47 47 ALA CB C 23.3 . 1 542 47 47 ALA N N 124.5 . 1 543 48 48 VAL H H 8.91 . 1 544 48 48 VAL HA H 5.36 . 1 545 48 48 VAL HB H 1.86 . 1 546 48 48 VAL HG1 H 0.98 . 2 547 48 48 VAL HG2 H 0.93 . 2 548 48 48 VAL C C 173.2 . 1 549 48 48 VAL CA C 57.7 . 1 550 48 48 VAL CB C 35.9 . 1 551 48 48 VAL CG1 C 22.6 . 1 552 48 48 VAL CG2 C 18.9 . 1 553 48 48 VAL N N 116.8 . 1 554 49 49 SER H H 9.60 . 1 555 49 49 SER HA H 5.89 . 1 556 49 49 SER HB2 H 3.65 . 2 557 49 49 SER HB3 H 3.86 . 2 558 49 49 SER C C 173.2 . 1 559 49 49 SER CA C 57.7 . 1 560 49 49 SER CB C 64.4 . 1 561 49 49 SER N N 124.2 . 1 562 50 50 LEU H H 9.26 . 1 563 50 50 LEU HA H 5.03 . 1 564 50 50 LEU HB2 H 1.47 . 1 565 50 50 LEU HB3 H 1.47 . 1 566 50 50 LEU HG H 1.35 . 1 567 50 50 LEU HD1 H 0.81 . 2 568 50 50 LEU HD2 H 0.93 . 2 569 50 50 LEU CA C 53.1 . 1 570 50 50 LEU CB C 48.0 . 1 571 50 50 LEU CG C 25.1 . 1 572 50 50 LEU CD1 C 26.5 . 1 573 50 50 LEU CD2 C 25.9 . 1 574 50 50 LEU N N 124.4 . 1 575 53 53 SER HA H 4.78 . 1 576 53 53 SER HB2 H 4.36 . 2 577 53 53 SER HB3 H 3.77 . 2 578 53 53 SER CA C 64.0 . 1 579 53 53 SER CB C 63.5 . 1 580 54 54 PRO HA H 4.28 . 1 581 54 54 PRO HB2 H 2.38 . 2 582 54 54 PRO HB3 H 1.94 . 2 583 54 54 PRO HG2 H 2.24 . 2 584 54 54 PRO HG3 H 1.97 . 2 585 54 54 PRO HD2 H 3.91 . 2 586 54 54 PRO HD3 H 3.82 . 2 587 54 54 PRO C C 179.3 . 1 588 54 54 PRO CA C 66.3 . 1 589 54 54 PRO CB C 31.8 . 1 590 54 54 PRO CG C 28.2 . 1 591 54 54 PRO CD C 49.9 . 1 592 55 55 GLU H H 9.60 . 1 593 55 55 GLU HA H 4.03 . 1 594 55 55 GLU HB2 H 1.86 . 2 595 55 55 GLU HB3 H 2.08 . 2 596 55 55 GLU HG2 H 2.48 . 2 597 55 55 GLU HG3 H 2.34 . 2 598 55 55 GLU C C 179.2 . 1 599 55 55 GLU CA C 60.5 . 1 600 55 55 GLU CB C 28.6 . 1 601 55 55 GLU CG C 37.6 . 1 602 55 55 GLU N N 117.8 . 1 603 56 56 LEU H H 7.45 . 1 604 56 56 LEU HA H 4.09 . 1 605 56 56 LEU HB2 H 1.82 . 2 606 56 56 LEU HB3 H 1.81 . 2 607 56 56 LEU HG H 1.70 . 1 608 56 56 LEU HD1 H 0.94 . 2 609 56 56 LEU HD2 H 0.83 . 2 610 56 56 LEU C C 178.1 . 1 611 56 56 LEU CA C 58.2 . 1 612 56 56 LEU CB C 42.5 . 1 613 56 56 LEU CG C 27.0 . 1 614 56 56 LEU CD1 C 26.0 . 1 615 56 56 LEU CD2 C 22.6 . 1 616 56 56 LEU N N 122.8 . 1 617 57 57 ALA H H 8.76 . 1 618 57 57 ALA HA H 3.96 . 1 619 57 57 ALA HB H 1.41 . 1 620 57 57 ALA C C 180.6 . 1 621 57 57 ALA CA C 55.1 . 1 622 57 57 ALA CB C 17.9 . 1 623 57 57 ALA N N 121.3 . 1 624 58 58 GLU H H 7.83 . 1 625 58 58 GLU HA H 4.25 . 1 626 58 58 GLU HB2 H 2.10 . 2 627 58 58 GLU HB3 H 2.02 . 2 628 58 58 GLU HG2 H 2.38 . 2 629 58 58 GLU HG3 H 2.27 . 2 630 58 58 GLU C C 178.3 . 1 631 58 58 GLU CA C 58.7 . 1 632 58 58 GLU CB C 29.1 . 1 633 58 58 GLU CG C 35.4 . 1 634 58 58 GLU N N 118.9 . 1 635 59 59 LEU H H 7.43 . 1 636 59 59 LEU HA H 4.09 . 1 637 59 59 LEU HB2 H 1.32 . 2 638 59 59 LEU HB3 H 2.10 . 2 639 59 59 LEU HG H 1.83 . 1 640 59 59 LEU HD1 H 0.85 . 2 641 59 59 LEU HD2 H 0.75 . 2 642 59 59 LEU C C 179.3 . 1 643 59 59 LEU CA C 58.2 . 1 644 59 59 LEU CB C 42.5 . 1 645 59 59 LEU CG C 27.3 . 1 646 59 59 LEU CD1 C 23.3 . 1 647 59 59 LEU CD2 C 23.3 . 1 648 59 59 LEU N N 120.3 . 1 649 60 60 LEU H H 8.03 . 1 650 60 60 LEU HA H 4.35 . 1 651 60 60 LEU HB2 H 1.66 . 1 652 60 60 LEU HB3 H 1.66 . 1 653 60 60 LEU HG H 1.66 . 1 654 60 60 LEU HD1 H 0.77 . 2 655 60 60 LEU HD2 H 0.76 . 2 656 60 60 LEU CA C 55.6 . 1 657 60 60 LEU CB C 42.1 . 1 658 60 60 LEU CG C 27.9 . 1 659 60 60 LEU N N 118.9 . 1 660 61 61 ARG H H 8.28 . 1 661 61 61 ARG HA H 4.05 . 1 662 61 61 ARG HB2 H 2.04 . 2 663 61 61 ARG HB3 H 1.99 . 2 664 61 61 ARG HG2 H 1.62 . 2 665 61 61 ARG HG3 H 1.76 . 2 666 61 61 ARG HD2 H 3.19 . 2 667 61 61 ARG HD3 H 3.30 . 2 668 61 61 ARG C C 178.7 . 1 669 61 61 ARG CA C 59.4 . 1 670 61 61 ARG CB C 30.5 . 1 671 61 61 ARG CG C 27.8 . 1 672 61 61 ARG CD C 43.4 . 1 673 62 62 GLN H H 7.91 . 1 674 62 62 GLN HA H 4.20 . 1 675 62 62 GLN HB2 H 2.17 . 2 676 62 62 GLN HB3 H 2.31 . 2 677 62 62 GLN HG2 H 2.63 . 2 678 62 62 GLN HG3 H 2.52 . 2 679 62 62 GLN HE21 H 6.78 . 2 680 62 62 GLN HE22 H 7.72 . 2 681 62 62 GLN C C 175.3 . 1 682 62 62 GLN CA C 56.3 . 1 683 62 62 GLN CB C 28.7 . 1 684 62 62 GLN CG C 34.1 . 1 685 62 62 GLN N N 116.3 . 1 686 62 62 GLN NE2 N 111.4 . 1 687 63 63 GLN H H 8.07 . 1 688 63 63 GLN HA H 4.02 . 1 689 63 63 GLN HB2 H 2.29 . 2 690 63 63 GLN HB3 H 2.13 . 2 691 63 63 GLN HG2 H 2.31 . 1 692 63 63 GLN HG3 H 2.31 . 1 693 63 63 GLN HE21 H 7.56 . 2 694 63 63 GLN HE22 H 6.82 . 2 695 63 63 GLN CA C 56.3 . 1 696 63 63 GLN CB C 26.5 . 1 697 63 63 GLN CG C 34.4 . 1 698 63 63 GLN N N 116.2 . 1 699 63 63 GLN NE2 N 112.1 . 1 700 66 66 ASP HA H 5.15 . 1 701 66 66 ASP HB2 H 3.29 . 2 702 66 66 ASP HB3 H 2.97 . 2 703 66 66 ASP C C 178.5 . 1 704 66 66 ASP CA C 55.5 . 1 705 66 66 ASP CB C 41.6 . 1 706 67 67 VAL H H 7.59 . 1 707 67 67 VAL HA H 5.24 . 1 708 67 67 VAL HB H 1.93 . 1 709 67 67 VAL HG1 H 0.86 . 2 710 67 67 VAL HG2 H 0.85 . 2 711 67 67 VAL CG1 C 21.1 . 1 712 67 67 VAL CG2 C 22.4 . 1 713 67 67 VAL N N 115.7 . 1 714 68 68 ARG HA H 4.96 . 1 715 68 68 ARG HB2 H 1.57 . 2 716 68 68 ARG HB3 H 1.93 . 2 717 68 68 ARG HG2 H 1.62 . 2 718 68 68 ARG HG3 H 1.46 . 2 719 68 68 ARG HD2 H 3.31 . 2 720 68 68 ARG HD3 H 3.21 . 2 721 68 68 ARG CA C 53.2 . 1 722 68 68 ARG CB C 32.7 . 1 723 68 68 ARG CG C 26.0 . 1 724 68 68 ARG CD C 43.4 . 1 725 69 69 PRO HA H 4.90 . 1 726 69 69 PRO HB2 H 2.47 . 2 727 69 69 PRO HB3 H 1.80 . 2 728 69 69 PRO HG2 H 2.14 . 2 729 69 69 PRO HG3 H 1.98 . 2 730 69 69 PRO HD2 H 3.59 . 2 731 69 69 PRO HD3 H 3.83 . 2 732 69 69 PRO C C 177.1 . 1 733 69 69 PRO CA C 62.7 . 1 734 69 69 PRO CB C 32.2 . 1 735 69 69 PRO CG C 28.2 . 1 736 69 69 PRO CD C 50.6 . 1 737 70 70 SER H H 7.59 . 1 738 70 70 SER HA H 4.31 . 1 739 70 70 SER HB2 H 3.55 . 2 740 70 70 SER HB3 H 3.64 . 2 741 70 70 SER C C 174.5 . 1 742 70 70 SER CA C 59.0 . 1 743 70 70 SER CB C 64.1 . 1 744 70 70 SER N N 117.0 . 1 745 71 71 ARG H H 8.28 . 1 746 71 71 ARG HA H 4.18 . 1 747 71 71 ARG HB2 H 1.40 . 1 748 71 71 ARG HB3 H 1.40 . 1 749 71 71 ARG HG2 H 1.25 . 2 750 71 71 ARG HG3 H 1.31 . 2 751 71 71 ARG HD2 H 2.97 . 1 752 71 71 ARG HD3 H 2.97 . 1 753 71 71 ARG C C 176.2 . 1 754 71 71 ARG CA C 56.8 . 1 755 71 71 ARG CB C 31.3 . 1 756 71 71 ARG CG C 27.0 . 1 757 71 71 ARG CD C 43.3 . 1 758 71 71 ARG N N 123.4 . 1 759 72 72 HIS H H 7.72 . 1 760 72 72 HIS HA H 4.10 . 1 761 72 72 HIS HB2 H 1.99 . 1 762 72 72 HIS HB3 H 1.99 . 1 763 72 72 HIS HD2 H 7.08 . 1 764 72 72 HIS C C 174.9 . 1 765 72 72 HIS CA C 57.6 . 1 766 72 72 HIS CB C 30.0 . 1 767 72 72 HIS CD2 C 119.8 . 1 768 72 72 HIS N N 117.7 . 1 769 73 73 LEU H H 7.32 . 1 770 73 73 LEU HA H 4.09 . 1 771 73 73 LEU HB2 H 0.93 . 2 772 73 73 LEU HB3 H 0.63 . 2 773 73 73 LEU HG H 0.89 . 1 774 73 73 LEU HD1 H 0.33 . 2 775 73 73 LEU HD2 H -0.33 . 2 776 73 73 LEU C C 175.1 . 1 777 73 73 LEU CA C 53.7 . 1 778 73 73 LEU CB C 42.1 . 1 779 73 73 LEU CG C 26.2 . 1 780 73 73 LEU CD1 C 22.4 . 1 781 73 73 LEU CD2 C 25.1 . 1 782 73 73 LEU N N 120.4 . 1 783 74 74 ASN H H 8.25 . 1 784 74 74 ASN HA H 4.41 . 1 785 74 74 ASN HB2 H 3.12 . 2 786 74 74 ASN HB3 H 3.02 . 2 787 74 74 ASN HD21 H 7.18 . 2 788 74 74 ASN HD22 H 7.84 . 2 789 74 74 ASN C C 177.4 . 1 790 74 74 ASN CA C 54.8 . 1 791 74 74 ASN CB C 39.4 . 1 792 74 74 ASN N N 118.7 . 1 793 74 74 ASN ND2 N 113.1 . 1 794 75 75 LYS H H 8.51 . 1 795 75 75 LYS HA H 4.62 . 1 796 75 75 LYS HB2 H 2.14 . 2 797 75 75 LYS HB3 H 1.94 . 2 798 75 75 LYS HG2 H 1.42 . 2 799 75 75 LYS HG3 H 1.58 . 2 800 75 75 LYS HD2 H 1.67 . 2 801 75 75 LYS HD3 H 1.69 . 2 802 75 75 LYS HE2 H 3.00 . 1 803 75 75 LYS HE3 H 3.00 . 1 804 75 75 LYS C C 176.7 . 1 805 75 75 LYS CA C 58.5 . 1 806 75 75 LYS CB C 32.4 . 1 807 75 75 LYS CG C 24.1 . 1 808 75 75 LYS CD C 29.6 . 1 809 75 75 LYS CE C 42.1 . 1 810 75 75 LYS N N 127.0 . 1 811 76 76 ALA H H 8.27 . 1 812 76 76 ALA HA H 4.21 . 1 813 76 76 ALA HB H 1.14 . 1 814 76 76 ALA CA C 53.2 . 1 815 76 76 ALA CB C 18.6 . 1 816 76 76 ALA N N 121.8 . 1 817 77 77 HIS H H 7.93 . 1 818 77 77 HIS HA H 4.80 . 1 819 77 77 HIS HB2 H 3.31 . 2 820 77 77 HIS HB3 H 3.02 . 2 821 77 77 HIS HD2 H 7.03 . 1 822 77 77 HIS C C 174.0 . 1 823 77 77 HIS CA C 55.4 . 1 824 77 77 HIS CB C 33.0 . 1 825 77 77 HIS CD2 C 119.8 . 1 826 78 78 TRP H H 8.03 . 1 827 78 78 TRP HA H 5.19 . 1 828 78 78 TRP HB2 H 2.80 . 2 829 78 78 TRP HB3 H 2.88 . 2 830 78 78 TRP HD1 H 7.50 . 1 831 78 78 TRP HE1 H 10.19 . 1 832 78 78 TRP HE3 H 7.11 . 1 833 78 78 TRP HZ2 H 7.46 . 1 834 78 78 TRP HZ3 H 6.62 . 1 835 78 78 TRP HH2 H 6.58 . 1 836 78 78 TRP C C 175.4 . 1 837 78 78 TRP CA C 56.9 . 1 838 78 78 TRP CB C 32.0 . 1 839 78 78 TRP CD1 C 127.2 . 1 840 78 78 TRP CE3 C 120.5 . 1 841 78 78 TRP CZ2 C 113.5 . 1 842 78 78 TRP CZ3 C 120.4 . 1 843 78 78 TRP CH2 C 123.6 . 1 844 78 78 TRP N N 122.4 . 1 845 78 78 TRP NE1 N 128.0 . 1 846 79 79 SER H H 9.11 . 1 847 79 79 SER HA H 4.99 . 1 848 79 79 SER HB2 H 3.73 . 2 849 79 79 SER HB3 H 3.38 . 2 850 79 79 SER C C 171.6 . 1 851 79 79 SER CA C 57.8 . 1 852 79 79 SER CB C 66.7 . 1 853 79 79 SER N N 115.0 . 1 854 80 80 THR H H 9.38 . 1 855 80 80 THR HA H 4.98 . 1 856 80 80 THR HB H 3.54 . 1 857 80 80 THR HG2 H 0.76 . 1 858 80 80 THR C C 172.1 . 1 859 80 80 THR CA C 62.3 . 1 860 80 80 THR CB C 71.0 . 1 861 80 80 THR CG2 C 23.3 . 1 862 80 80 THR N N 120.8 . 1 863 81 81 VAL H H 9.25 . 1 864 81 81 VAL HA H 4.76 . 1 865 81 81 VAL HB H 1.97 . 1 866 81 81 VAL HG1 H 0.82 . 2 867 81 81 VAL HG2 H 0.79 . 2 868 81 81 VAL C C 175.9 . 1 869 81 81 VAL CA C 60.0 . 1 870 81 81 VAL CB C 34.4 . 1 871 81 81 VAL CG1 C 21.9 . 1 872 81 81 VAL CG2 C 21.3 . 1 873 81 81 VAL N N 126.9 . 1 874 82 82 TYR H H 8.90 . 1 875 82 82 TYR HA H 4.95 . 1 876 82 82 TYR HB2 H 3.39 . 2 877 82 82 TYR HB3 H 2.72 . 2 878 82 82 TYR HD1 H 7.12 . 1 879 82 82 TYR HD2 H 7.12 . 1 880 82 82 TYR HE1 H 6.74 . 1 881 82 82 TYR HE2 H 6.74 . 1 882 82 82 TYR C C 177.5 . 1 883 82 82 TYR CA C 58.6 . 1 884 82 82 TYR CB C 39.7 . 1 885 82 82 TYR CD1 C 132.1 . 1 886 82 82 TYR CD2 C 132.3 . 1 887 82 82 TYR CE1 C 118.4 . 1 888 82 82 TYR CE2 C 118.5 . 1 889 82 82 TYR N N 125.1 . 1 890 83 83 LEU H H 8.66 . 1 891 83 83 LEU HA H 4.32 . 1 892 83 83 LEU HB2 H 1.89 . 2 893 83 83 LEU HB3 H 1.42 . 2 894 83 83 LEU HG H 1.58 . 1 895 83 83 LEU HD1 H 0.71 . 2 896 83 83 LEU HD2 H 0.78 . 2 897 83 83 LEU C C 176.0 . 1 898 83 83 LEU CA C 55.1 . 1 899 83 83 LEU CB C 42.1 . 1 900 83 83 LEU CG C 27.6 . 1 901 83 83 LEU CD1 C 25.9 . 1 902 83 83 LEU CD2 C 23.2 . 1 903 83 83 LEU N N 118.8 . 1 904 84 84 ASP H H 8.63 . 1 905 84 84 ASP HA H 4.85 . 1 906 84 84 ASP HB2 H 3.09 . 2 907 84 84 ASP HB3 H 2.40 . 2 908 84 84 ASP C C 176.7 . 1 909 84 84 ASP CA C 52.5 . 1 910 84 84 ASP CB C 40.8 . 1 911 84 84 ASP N N 118.8 . 1 912 85 85 GLY H H 7.86 . 1 913 85 85 GLY HA2 H 3.98 . 2 914 85 85 GLY HA3 H 4.37 . 2 915 85 85 GLY CA C 44.8 . 1 916 85 85 GLY N N 109.5 . 1 917 86 86 SER HA H 4.79 . 1 918 86 86 SER HB2 H 3.64 . 2 919 86 86 SER HB3 H 3.85 . 2 920 86 86 SER C C 175.7 . 1 921 86 86 SER CA C 58.4 . 1 922 86 86 SER CB C 64.6 . 1 923 87 87 LEU H H 7.86 . 1 924 87 87 LEU HA H 4.54 . 1 925 87 87 LEU HB2 H 1.16 . 2 926 87 87 LEU HB3 H 1.70 . 2 927 87 87 LEU HG H 0.77 . 1 928 87 87 LEU HD1 H 0.56 . 2 929 87 87 LEU HD2 H 0.45 . 2 930 87 87 LEU CA C 52.9 . 1 931 87 87 LEU CB C 41.7 . 1 932 87 87 LEU CG C 26.4 . 1 933 87 87 LEU CD1 C 26.0 . 1 934 87 87 LEU CD2 C 23.8 . 1 935 87 87 LEU N N 126.0 . 1 936 88 88 PRO HA H 4.52 . 1 937 88 88 PRO HB2 H 2.44 . 2 938 88 88 PRO HB3 H 1.98 . 2 939 88 88 PRO HG2 H 2.13 . 2 940 88 88 PRO HG3 H 2.05 . 2 941 88 88 PRO HD2 H 3.73 . 2 942 88 88 PRO HD3 H 4.06 . 2 943 88 88 PRO C C 177.5 . 1 944 88 88 PRO CA C 62.3 . 1 945 88 88 PRO CB C 32.4 . 1 946 88 88 PRO CG C 27.8 . 1 947 88 88 PRO CD C 50.5 . 1 948 89 89 ASP H H 8.84 . 1 949 89 89 ASP HA H 3.80 . 1 950 89 89 ASP HB2 H 2.28 . 2 951 89 89 ASP HB3 H 2.63 . 2 952 89 89 ASP C C 176.9 . 1 953 89 89 ASP CA C 57.6 . 1 954 89 89 ASP CB C 39.3 . 1 955 89 89 ASP N N 124.2 . 1 956 90 90 SER H H 8.56 . 1 957 90 90 SER HA H 4.11 . 1 958 90 90 SER HB2 H 3.87 . 2 959 90 90 SER HB3 H 3.96 . 2 960 90 90 SER C C 176.9 . 1 961 90 90 SER CA C 61.2 . 1 962 90 90 SER CB C 61.7 . 1 963 90 90 SER N N 110.8 . 1 964 91 91 GLN H H 7.17 . 1 965 91 91 GLN HA H 4.30 . 1 966 91 91 GLN HB2 H 2.10 . 2 967 91 91 GLN HB3 H 2.02 . 2 968 91 91 GLN HG2 H 2.35 . 2 969 91 91 GLN HG3 H 2.23 . 2 970 91 91 GLN HE21 H 7.32 . 2 971 91 91 GLN HE22 H 6.69 . 2 972 91 91 GLN C C 177.7 . 1 973 91 91 GLN CA C 58.1 . 1 974 91 91 GLN CB C 29.1 . 1 975 91 91 GLN CG C 34.0 . 1 976 91 91 GLN N N 122.3 . 1 977 91 91 GLN NE2 N 109.5 . 1 978 92 92 ILE H H 7.42 . 1 979 92 92 ILE HA H 3.41 . 1 980 92 92 ILE HB H 1.64 . 1 981 92 92 ILE HG12 H 1.54 . 2 982 92 92 ILE HG13 H 0.66 . 2 983 92 92 ILE HG2 H 0.56 . 1 984 92 92 ILE HD1 H 0.79 . 1 985 92 92 ILE C C 178.2 . 1 986 92 92 ILE CA C 66.2 . 1 987 92 92 ILE CB C 36.9 . 1 988 92 92 ILE CG1 C 29.6 . 1 989 92 92 ILE CG2 C 17.4 . 1 990 92 92 ILE CD1 C 13.0 . 1 991 92 92 ILE N N 120.3 . 1 992 93 93 TYR H H 8.35 . 1 993 93 93 TYR HA H 3.95 . 1 994 93 93 TYR HB2 H 2.62 . 2 995 93 93 TYR HB3 H 2.82 . 2 996 93 93 TYR HD1 H 6.16 . 1 997 93 93 TYR HD2 H 6.16 . 1 998 93 93 TYR HE1 H 6.42 . 1 999 93 93 TYR HE2 H 6.42 . 1 1000 93 93 TYR C C 177.7 . 1 1001 93 93 TYR CA C 60.5 . 1 1002 93 93 TYR CB C 36.3 . 1 1003 93 93 TYR CD1 C 131.1 . 1 1004 93 93 TYR CD2 C 131.0 . 1 1005 93 93 TYR CE1 C 117.4 . 1 1006 93 93 TYR CE2 C 117.4 . 1 1007 93 93 TYR N N 117.3 . 1 1008 94 94 TYR H H 7.66 . 1 1009 94 94 TYR HA H 4.33 . 1 1010 94 94 TYR HB2 H 3.26 . 1 1011 94 94 TYR HB3 H 3.26 . 1 1012 94 94 TYR HD1 H 7.12 . 1 1013 94 94 TYR HD2 H 7.12 . 1 1014 94 94 TYR HE1 H 6.79 . 1 1015 94 94 TYR HE2 H 6.79 . 1 1016 94 94 TYR C C 178.4 . 1 1017 94 94 TYR CA C 61.5 . 1 1018 94 94 TYR CB C 38.1 . 1 1019 94 94 TYR CD1 C 132.7 . 1 1020 94 94 TYR CD2 C 132.8 . 1 1021 94 94 TYR CE1 C 117.8 . 1 1022 94 94 TYR CE2 C 117.9 . 1 1023 94 94 TYR N N 118.5 . 1 1024 95 95 LEU H H 8.22 . 1 1025 95 95 LEU HA H 4.03 . 1 1026 95 95 LEU HB2 H 2.15 . 2 1027 95 95 LEU HB3 H 1.35 . 2 1028 95 95 LEU HG H 2.30 . 1 1029 95 95 LEU HD1 H 0.72 . 2 1030 95 95 LEU HD2 H 0.82 . 2 1031 95 95 LEU C C 181.0 . 1 1032 95 95 LEU CA C 57.7 . 1 1033 95 95 LEU CB C 41.7 . 1 1034 95 95 LEU CG C 26.0 . 1 1035 95 95 LEU CD1 C 25.9 . 1 1036 95 95 LEU CD2 C 22.6 . 1 1037 95 95 LEU N N 120.3 . 1 1038 96 96 VAL H H 8.67 . 1 1039 96 96 VAL HA H 3.85 . 1 1040 96 96 VAL HB H 2.78 . 1 1041 96 96 VAL HG1 H 1.16 . 2 1042 96 96 VAL HG2 H 1.42 . 2 1043 96 96 VAL C C 177.9 . 1 1044 96 96 VAL CA C 67.1 . 1 1045 96 96 VAL CB C 31.4 . 1 1046 96 96 VAL CG1 C 23.3 . 1 1047 96 96 VAL CG2 C 23.2 . 1 1048 96 96 VAL N N 123.4 . 1 1049 97 97 ASP H H 9.02 . 1 1050 97 97 ASP HA H 4.16 . 1 1051 97 97 ASP HB2 H 2.73 . 2 1052 97 97 ASP HB3 H 3.10 . 2 1053 97 97 ASP C C 178.8 . 1 1054 97 97 ASP CA C 58.2 . 1 1055 97 97 ASP CB C 39.5 . 1 1056 97 97 ASP N N 122.9 . 1 1057 98 98 ALA H H 8.37 . 1 1058 98 98 ALA HA H 4.17 . 1 1059 98 98 ALA HB H 1.45 . 1 1060 98 98 ALA C C 180.1 . 1 1061 98 98 ALA CA C 55.0 . 1 1062 98 98 ALA CB C 17.9 . 1 1063 98 98 ALA N N 122.3 . 1 1064 99 99 SER H H 7.93 . 1 1065 99 99 SER HA H 4.19 . 1 1066 99 99 SER HB2 H 4.16 . 1 1067 99 99 SER HB3 H 4.16 . 1 1068 99 99 SER C C 177.0 . 1 1069 99 99 SER CA C 61.8 . 1 1070 99 99 SER CB C 61.9 . 1 1071 99 99 SER N N 115.3 . 1 1072 100 100 TYR H H 9.01 . 1 1073 100 100 TYR HA H 3.46 . 1 1074 100 100 TYR HB2 H 3.05 . 2 1075 100 100 TYR HB3 H 2.41 . 2 1076 100 100 TYR HD1 H 6.87 . 1 1077 100 100 TYR HD2 H 6.87 . 1 1078 100 100 TYR HE1 H 7.13 . 1 1079 100 100 TYR HE2 H 7.13 . 1 1080 100 100 TYR C C 176.3 . 1 1081 100 100 TYR CA C 62.0 . 1 1082 100 100 TYR CB C 38.1 . 1 1083 100 100 TYR CD1 C 132.8 . 1 1084 100 100 TYR CD2 C 132.9 . 1 1085 100 100 TYR CE1 C 118.1 . 1 1086 100 100 TYR N N 119.2 . 1 1087 101 101 GLN H H 8.53 . 1 1088 101 101 GLN HA H 3.70 . 1 1089 101 101 GLN HB2 H 2.21 . 2 1090 101 101 GLN HB3 H 2.15 . 2 1091 101 101 GLN HG2 H 2.45 . 1 1092 101 101 GLN HG3 H 2.45 . 1 1093 101 101 GLN HE21 H 7.41 . 2 1094 101 101 GLN HE22 H 6.84 . 2 1095 101 101 GLN C C 178.3 . 1 1096 101 101 GLN CA C 58.6 . 1 1097 101 101 GLN CB C 28.7 . 1 1098 101 101 GLN CG C 34.0 . 1 1099 101 101 GLN N N 117.3 . 1 1100 101 101 GLN NE2 N 112.6 . 1 1101 102 102 GLN H H 7.79 . 1 1102 102 102 GLN HA H 3.95 . 1 1103 102 102 GLN HB2 H 2.10 . 2 1104 102 102 GLN HB3 H 2.05 . 2 1105 102 102 GLN HG2 H 2.41 . 2 1106 102 102 GLN HG3 H 2.56 . 2 1107 102 102 GLN HE21 H 6.63 . 2 1108 102 102 GLN HE22 H 7.25 . 2 1109 102 102 GLN C C 178.6 . 1 1110 102 102 GLN CA C 59.0 . 1 1111 102 102 GLN CB C 29.2 . 1 1112 102 102 GLN CG C 34.5 . 1 1113 102 102 GLN N N 116.7 . 1 1114 102 102 GLN NE2 N 110.0 . 1 1115 103 103 ALA H H 7.81 . 1 1116 103 103 ALA HA H 4.00 . 1 1117 103 103 ALA HB H 1.40 . 1 1118 103 103 ALA C C 178.8 . 1 1119 103 103 ALA CA C 55.3 . 1 1120 103 103 ALA CB C 19.5 . 1 1121 103 103 ALA N N 122.4 . 1 1122 104 104 VAL H H 8.18 . 1 1123 104 104 VAL HA H 3.33 . 1 1124 104 104 VAL HB H 1.77 . 1 1125 104 104 VAL HG1 H 0.67 . 2 1126 104 104 VAL HG2 H 0.35 . 2 1127 104 104 VAL C C 178.5 . 1 1128 104 104 VAL CA C 65.7 . 1 1129 104 104 VAL CB C 31.4 . 1 1130 104 104 VAL CG1 C 22.1 . 1 1131 104 104 VAL CG2 C 22.9 . 1 1132 104 104 VAL N N 116.7 . 1 1133 105 105 ASN H H 7.59 . 1 1134 105 105 ASN HA H 4.46 . 1 1135 105 105 ASN HB2 H 2.83 . 1 1136 105 105 ASN HB3 H 2.83 . 1 1137 105 105 ASN HD21 H 7.45 . 2 1138 105 105 ASN HD22 H 6.90 . 2 1139 105 105 ASN C C 176.3 . 1 1140 105 105 ASN CA C 54.6 . 1 1141 105 105 ASN CB C 38.2 . 1 1142 105 105 ASN N N 116.1 . 1 1143 105 105 ASN ND2 N 110.6 . 1 1144 106 106 LEU H H 7.59 . 1 1145 106 106 LEU HA H 4.35 . 1 1146 106 106 LEU HB2 H 2.13 . 2 1147 106 106 LEU HB3 H 1.65 . 2 1148 106 106 LEU HG H 1.92 . 1 1149 106 106 LEU HD1 H 0.96 . 2 1150 106 106 LEU HD2 H 0.88 . 2 1151 106 106 LEU C C 178.1 . 1 1152 106 106 LEU CA C 55.1 . 1 1153 106 106 LEU CB C 42.0 . 1 1154 106 106 LEU CG C 26.5 . 1 1155 106 106 LEU CD1 C 25.4 . 1 1156 106 106 LEU CD2 C 22.9 . 1 1157 106 106 LEU N N 118.8 . 1 1158 107 107 LEU H H 7.64 . 1 1159 107 107 LEU HA H 4.51 . 1 1160 107 107 LEU HB2 H 2.00 . 2 1161 107 107 LEU HB3 H 1.27 . 2 1162 107 107 LEU HG H 1.98 . 1 1163 107 107 LEU HD1 H 1.00 . 2 1164 107 107 LEU HD2 H 0.80 . 2 1165 107 107 LEU CA C 53.2 . 1 1166 107 107 LEU CB C 41.6 . 1 1167 107 107 LEU CG C 26.4 . 1 1168 107 107 LEU CD1 C 23.8 . 1 1169 107 107 LEU CD2 C 26.9 . 1 1170 107 107 LEU N N 121.3 . 1 1171 108 108 PRO HA H 4.58 . 1 1172 108 108 PRO HB2 H 2.02 . 2 1173 108 108 PRO HB3 H 2.54 . 2 1174 108 108 PRO HG2 H 2.06 . 2 1175 108 108 PRO HG3 H 2.20 . 2 1176 108 108 PRO HD2 H 3.51 . 2 1177 108 108 PRO HD3 H 4.00 . 2 1178 108 108 PRO C C 178.0 . 1 1179 108 108 PRO CA C 62.5 . 1 1180 108 108 PRO CB C 32.7 . 1 1181 108 108 PRO CG C 28.1 . 1 1182 108 108 PRO CD C 50.6 . 1 1183 109 109 GLU H H 9.06 . 1 1184 109 109 GLU HA H 3.81 . 1 1185 109 109 GLU HB2 H 1.99 . 2 1186 109 109 GLU HB3 H 2.15 . 2 1187 109 109 GLU HG2 H 2.28 . 1 1188 109 109 GLU HG3 H 2.28 . 1 1189 109 109 GLU C C 177.7 . 1 1190 109 109 GLU CA C 60.7 . 1 1191 109 109 GLU CB C 29.9 . 1 1192 109 109 GLU CG C 36.0 . 1 1193 109 109 GLU N N 124.9 . 1 1194 110 110 GLU H H 9.39 . 1 1195 110 110 GLU HA H 4.03 . 1 1196 110 110 GLU HB2 H 2.03 . 2 1197 110 110 GLU HB3 H 2.05 . 2 1198 110 110 GLU HG2 H 2.34 . 2 1199 110 110 GLU HG3 H 2.31 . 2 1200 110 110 GLU C C 178.9 . 1 1201 110 110 GLU CA C 59.5 . 1 1202 110 110 GLU CB C 28.9 . 1 1203 110 110 GLU CG C 36.2 . 1 1204 110 110 GLU N N 116.2 . 1 1205 111 111 LYS H H 7.22 . 1 1206 111 111 LYS HA H 4.29 . 1 1207 111 111 LYS HB2 H 1.93 . 2 1208 111 111 LYS HB3 H 1.83 . 2 1209 111 111 LYS HG2 H 1.62 . 2 1210 111 111 LYS HG3 H 1.51 . 2 1211 111 111 LYS HD2 H 1.66 . 2 1212 111 111 LYS HD3 H 1.75 . 2 1213 111 111 LYS HE2 H 3.00 . 1 1214 111 111 LYS HE3 H 3.00 . 1 1215 111 111 LYS C C 178.4 . 1 1216 111 111 LYS CA C 57.5 . 1 1217 111 111 LYS CB C 33.4 . 1 1218 111 111 LYS CG C 25.6 . 1 1219 111 111 LYS CD C 28.9 . 1 1220 111 111 LYS CE C 42.1 . 1 1221 111 111 LYS N N 116.8 . 1 1222 112 112 ARG H H 8.15 . 1 1223 112 112 ARG HA H 3.80 . 1 1224 112 112 ARG HB2 H 1.83 . 1 1225 112 112 ARG HB3 H 1.83 . 1 1226 112 112 ARG HG2 H 1.54 . 2 1227 112 112 ARG HG3 H 1.63 . 2 1228 112 112 ARG HD2 H 3.29 . 2 1229 112 112 ARG HD3 H 3.17 . 2 1230 112 112 ARG C C 178.6 . 1 1231 112 112 ARG CA C 59.9 . 1 1232 112 112 ARG CB C 30.1 . 1 1233 112 112 ARG CG C 27.7 . 1 1234 112 112 ARG CD C 43.8 . 1 1235 112 112 ARG N N 120.3 . 1 1236 113 113 LYS H H 8.12 . 1 1237 113 113 LYS HA H 3.99 . 1 1238 113 113 LYS HB2 H 1.82 . 2 1239 113 113 LYS HB3 H 1.83 . 2 1240 113 113 LYS HG2 H 1.56 . 2 1241 113 113 LYS HG3 H 1.42 . 2 1242 113 113 LYS HD2 H 1.68 . 1 1243 113 113 LYS HD3 H 1.68 . 1 1244 113 113 LYS HE2 H 2.95 . 1 1245 113 113 LYS HE3 H 2.95 . 1 1246 113 113 LYS C C 178.5 . 1 1247 113 113 LYS CA C 59.3 . 1 1248 113 113 LYS CB C 32.6 . 1 1249 113 113 LYS CG C 25.4 . 1 1250 113 113 LYS CD C 29.5 . 1 1251 113 113 LYS CE C 42.1 . 1 1252 113 113 LYS N N 116.7 . 1 1253 114 114 LEU H H 7.13 . 1 1254 114 114 LEU HA H 4.17 . 1 1255 114 114 LEU HB2 H 1.85 . 2 1256 114 114 LEU HB3 H 1.69 . 2 1257 114 114 LEU HG H 1.78 . 1 1258 114 114 LEU HD1 H 0.96 . 2 1259 114 114 LEU HD2 H 0.89 . 2 1260 114 114 LEU C C 178.8 . 1 1261 114 114 LEU CA C 57.0 . 1 1262 114 114 LEU CB C 42.0 . 1 1263 114 114 LEU CG C 26.9 . 1 1264 114 114 LEU CD1 C 25.1 . 1 1265 114 114 LEU CD2 C 23.5 . 1 1266 114 114 LEU N N 118.3 . 1 1267 115 115 LEU H H 7.57 . 1 1268 115 115 LEU HA H 4.09 . 1 1269 115 115 LEU HB2 H 1.52 . 2 1270 115 115 LEU HB3 H 1.82 . 2 1271 115 115 LEU HG H 1.79 . 1 1272 115 115 LEU HD1 H 0.78 . 2 1273 115 115 LEU HD2 H 0.75 . 2 1274 115 115 LEU C C 178.7 . 1 1275 115 115 LEU CA C 57.2 . 1 1276 115 115 LEU CB C 41.9 . 1 1277 115 115 LEU CG C 26.9 . 1 1278 115 115 LEU CD1 C 26.4 . 1 1279 115 115 LEU CD2 C 23.2 . 1 1280 115 115 LEU N N 118.7 . 1 1281 116 116 VAL H H 7.76 . 1 1282 116 116 VAL HA H 3.92 . 1 1283 116 116 VAL HB H 2.16 . 1 1284 116 116 VAL HG1 H 1.03 . 2 1285 116 116 VAL HG2 H 0.94 . 2 1286 116 116 VAL C C 177.7 . 1 1287 116 116 VAL CA C 64.8 . 1 1288 116 116 VAL CB C 32.2 . 1 1289 116 116 VAL CG1 C 21.9 . 1 1290 116 116 VAL CG2 C 21.4 . 1 1291 116 116 VAL N N 117.3 . 1 1292 117 117 GLN H H 7.77 . 1 1293 117 117 GLN HA H 4.21 . 1 1294 117 117 GLN HB2 H 2.16 . 2 1295 117 117 GLN HB3 H 2.12 . 2 1296 117 117 GLN HG2 H 2.42 . 2 1297 117 117 GLN HG3 H 2.49 . 2 1298 117 117 GLN C C 177.3 . 1 1299 117 117 GLN CA C 57.3 . 1 1300 117 117 GLN CB C 29.1 . 1 1301 117 117 GLN CG C 34.0 . 1 1302 117 117 GLN N N 119.9 . 1 1303 118 118 LEU H H 7.99 . 1 1304 118 118 LEU HA H 4.19 . 1 1305 118 118 LEU HB2 H 1.83 . 2 1306 118 118 LEU HB3 H 1.56 . 2 1307 118 118 LEU HG H 1.77 . 1 1308 118 118 LEU HD1 H 0.86 . 2 1309 118 118 LEU HD2 H 0.87 . 2 1310 118 118 LEU CA C 56.2 . 1 1311 118 118 LEU CB C 42.2 . 1 1312 118 118 LEU CG C 26.9 . 1 1313 118 118 LEU CD1 C 25.5 . 1 1314 118 118 LEU CD2 C 23.2 . 1 1315 118 118 LEU N N 120.8 . 1 stop_ save_