data_6358 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for a bacterial BolA-like protein XC975 ; _BMRB_accession_number 6358 _BMRB_flat_file_name bmr6358.str _Entry_type original _Submission_date 2004-10-10 _Accession_date 2004-10-11 _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 Chin Ko-Hsin . . 2 Lin Fu-Yang . . 3 Hu Yu-Chen . . 4 Sze Kong-Hung . . 5 Lyu Ping-Jiang . . 6 Chou Shan-Ho . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 408 "13C chemical shifts" 295 "15N chemical shifts" 70 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-04-04 update author 'chemical shift referencing updated' 2005-03-18 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: NMR structure note - Solution structure of a bacterial BolA-like protein XC975 from a plant pathogen Xanthomonas Campestris pv. campestris ; _Citation_status published _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 Chin Ko-Hsin . . 2 Lin Fu-Yang . . 3 Hu Yu-Chen . . 4 Sze Kong-Hung . . 5 Lyu Ping-Jiang . . 6 Chou Shan-Ho . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 31 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 167 _Page_last 172 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_molecular_system _Saveframe_category molecular_system _Mol_system_name 'Xcc975 monomer' _Abbreviation_common 'Xcc975 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Xcc975 monomer' $XC975_protein stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_XC975_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'XC975 protein' _Abbreviation_common 'XC975 protein' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 80 _Mol_residue_sequence ; MRKRPLDAETIRKLIESGLP EARVDVQGEDGVHFEATVVS PAFVGKAPLARHRMVYATLG ELMGGAIHALQLKTLTPDEA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 10 MET 2 11 ARG 3 12 LYS 4 13 ARG 5 14 PRO 6 15 LEU 7 16 ASP 8 17 ALA 9 18 GLU 10 19 THR 11 20 ILE 12 21 ARG 13 22 LYS 14 23 LEU 15 24 ILE 16 25 GLU 17 26 SER 18 27 GLY 19 28 LEU 20 29 PRO 21 30 GLU 22 31 ALA 23 32 ARG 24 33 VAL 25 34 ASP 26 35 VAL 27 36 GLN 28 37 GLY 29 38 GLU 30 39 ASP 31 40 GLY 32 41 VAL 33 42 HIS 34 43 PHE 35 44 GLU 36 45 ALA 37 46 THR 38 47 VAL 39 48 VAL 40 49 SER 41 50 PRO 42 51 ALA 43 52 PHE 44 53 VAL 45 54 GLY 46 55 LYS 47 56 ALA 48 57 PRO 49 58 LEU 50 59 ALA 51 60 ARG 52 61 HIS 53 62 ARG 54 63 MET 55 64 VAL 56 65 TYR 57 66 ALA 58 67 THR 59 68 LEU 60 69 GLY 61 70 GLU 62 71 LEU 63 72 MET 64 73 GLY 65 74 GLY 66 75 ALA 67 76 ILE 68 77 HIS 69 78 ALA 70 79 LEU 71 80 GLN 72 81 LEU 73 82 LYS 74 83 THR 75 84 LEU 76 85 THR 77 86 PRO 78 87 ASP 79 88 GLU 80 89 ALA 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 1XS3 "Solution Structure Analysis Of The Xc975 Protein" 100.00 80 100.00 100.00 3.73e-49 EMBL CAP50714 "conserved hypothetical protein [Xanthomonas campestris pv. campestris]" 100.00 85 100.00 100.00 4.68e-49 GB AAM42068 "conserved hypothetical protein [Xanthomonas campestris pv. campestris str. ATCC 33913]" 93.75 75 98.67 100.00 1.05e-44 GB AAY48386 "conserved hypothetical protein [Xanthomonas campestris pv. campestris str. 8004]" 93.75 75 98.67 100.00 1.05e-44 GB AEL08031 "BolA superfamily transcriptional regulator [Xanthomonas campestris pv. raphani 756C]" 93.75 75 98.67 100.00 1.05e-44 REF NP_638144 "hypothetical protein XCC2796 [Xanthomonas campestris pv. campestris str. ATCC 33913]" 93.75 75 98.67 100.00 1.05e-44 REF WP_011037923 "BolA family transcriptional regulator [Xanthomonas campestris]" 93.75 75 98.67 100.00 1.05e-44 REF WP_012437777 "BolA family transcriptional regulator [Xanthomonas campestris]" 100.00 85 100.00 100.00 4.68e-49 REF YP_001902770 "hypothetical protein xccb100_1364 [Xanthomonas campestris pv. campestris str. B100]" 100.00 85 100.00 100.00 4.68e-49 REF YP_005638149 "BolA superfamily transcriptional regulator [Xanthomonas campestris pv. raphani 756C]" 93.75 75 98.67 100.00 1.05e-44 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $XC975_protein 'Xanthomonas Campestris pv. campestris 17' 339 Bacteria . Xanthomonas campestris 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 $XC975_protein 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $XC975_protein 2.5 mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 2.2K _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label . save_ save_1H_13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H 13C HSQC' _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_H(CCO)NH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH-TOCSY _Sample_label . save_ save_C(CO)NH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH-TOCSY _Sample_label . save_ save_NOESYNHSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name NOESYNHSQC _Sample_label . save_ save_NOESYCHSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name NOESYCHSQC _Sample_label . save_ save_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label . save_ save_HBCBCGCDCEHE_11 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDCEHE _Sample_label . save_ save_HBCBCGCDHD_12 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDHD _Sample_label . save_ save_HNHB_13 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _Sample_label . save_ save_HNHA_14 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_HBHA(CO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label . save_ save_HNCO_16 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_ME-TOCSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name ME-TOCSY _Sample_label . save_ save_DQ-COSY_18 _Saveframe_category NMR_applied_experiment _Experiment_name DQ-COSY _Sample_label . save_ save_2D-NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-NOESY _Sample_label . save_ save_10%13C-CTHSQC_20 _Saveframe_category NMR_applied_experiment _Experiment_name 10%13C-CTHSQC _Sample_label . save_ save_NOESYHSQCCH3NH2_21 _Saveframe_category NMR_applied_experiment _Experiment_name NOESYHSQCCH3NH2 _Sample_label . save_ save_CTHSQC_22 _Saveframe_category NMR_applied_experiment _Experiment_name CTHSQC _Sample_label . save_ save_HNCACO_23 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H 13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name NOESYNHSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name NOESYCHSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDCEHE _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDHD _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_16 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_17 _Saveframe_category NMR_applied_experiment _Experiment_name ME-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_18 _Saveframe_category NMR_applied_experiment _Experiment_name DQ-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_19 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_20 _Saveframe_category NMR_applied_experiment _Experiment_name 10%13C-CTHSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_21 _Saveframe_category NMR_applied_experiment _Experiment_name NOESYHSQCCH3NH2 _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_22 _Saveframe_category NMR_applied_experiment _Experiment_name CTHSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_23 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.1 pH temperature 298 0.1 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1H15N HSQC' '1H 13C HSQC' HNCACB CBCA(CO)NH H(CCO)NH-TOCSY C(CO)NH-TOCSY NOESYNHSQC NOESYCHSQC HCCH-TOCSY HCCH-COSY HBCBCGCDCEHE HBCBCGCDHD HNHB HNHA HBHA(CO)NH HNCO ME-TOCSY DQ-COSY 2D-NOESY 10%13C-CTHSQC NOESYHSQCCH3NH2 CTHSQC HNCACO stop_ loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Xcc975 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 . 5 PRO HA H 4.451 . . 2 . 5 PRO HB2 H 2.331 . . 3 . 5 PRO HB3 H 1.981 . . 4 . 5 PRO HD2 H 3.655 . . 5 . 5 PRO HD3 H 3.655 . . 6 . 5 PRO C C 176.4 . . 7 . 5 PRO CA C 61.3 . . 8 . 5 PRO CB C 30.7 . . 9 . 5 PRO CG C 25.8 . . 10 . 5 PRO CD C 49.1 . . 11 . 6 LEU H H 8.38 . . 12 . 6 LEU HA H 4.265 . . 13 . 6 LEU HB2 H 1.622 . . 14 . 6 LEU HB3 H 1.622 . . 15 . 6 LEU HG H 1.467 . . 16 . 6 LEU HD1 H 0.785 . . 17 . 6 LEU HD2 H 0.785 . . 18 . 6 LEU C C 175.0 . . 19 . 6 LEU CA C 53.7 . . 20 . 6 LEU CB C 41.4 . . 21 . 6 LEU CG C 25.6 . . 22 . 6 LEU CD1 C 23.6 . . 23 . 6 LEU CD2 C 23.6 . . 24 . 6 LEU N N 122.468 . . 25 . 7 ASP H H 7.294 . . 26 . 7 ASP HA H 4.847 . . 27 . 7 ASP HB2 H 3.075 . . 28 . 7 ASP HB3 H 2.782 . . 29 . 7 ASP C C 175.0 . . 30 . 7 ASP CA C 50.5 . . 31 . 7 ASP CB C 41.6 . . 32 . 7 ASP N N 118.955 . . 33 . 8 ALA H H 8.892 . . 34 . 8 ALA HA H 3.639 . . 35 . 8 ALA HB H 1.481 . . 36 . 8 ALA C C 179 . . 37 . 8 ALA CA C 54.1 . . 38 . 8 ALA CB C 17 . . 39 . 8 ALA N N 122.331 . . 40 . 9 GLU H H 8.347 . . 41 . 9 GLU HA H 4.040 . . 42 . 9 GLU HB2 H 2.042 . . 43 . 9 GLU HB3 H 2.042 . . 44 . 9 GLU HG2 H 2.287 . . 45 . 9 GLU HG3 H 2.287 . . 46 . 9 GLU C C 178.3 . . 47 . 9 GLU CA C 57.7 . . 48 . 9 GLU CB C 27.9 . . 49 . 9 GLU CG C 34.9 . . 50 . 9 GLU N N 117.482 . . 51 . 10 THR H H 8.17 . . 52 . 10 THR HA H 4.136 . . 53 . 10 THR HB H 3.759 . . 54 . 10 THR HG2 H 1.142 . . 55 . 10 THR C C 176.4 . . 56 . 10 THR CA C 65.5 . . 57 . 10 THR CB C 66.7 . . 58 . 10 THR CG2 C 19.7 . . 59 . 10 THR N N 117.369 . . 60 . 11 ILE H H 7.263 . . 61 . 11 ILE HA H 3.286 . . 62 . 11 ILE HB H 1.609 . . 63 . 11 ILE HG12 H 0.587 . . 64 . 11 ILE HG13 H 1.263 . . 65 . 11 ILE HG2 H 0.528 . . 66 . 11 ILE C C 176.6 . . 67 . 11 ILE CA C 63.8 . . 68 . 11 ILE CB C 36.1 . . 69 . 11 ILE CG1 C 27.5 . . 70 . 11 ILE CG2 C 15.9 . . 71 . 11 ILE CD1 C 10.6 . . 72 . 11 ILE N N 119.784 . . 73 . 11 ILE HD1 H -0.166 . . 74 . 12 ARG H H 8.301 . . 75 . 12 ARG HA H 3.526 . . 76 . 12 ARG HB2 H 1.698 . . 77 . 12 ARG HB3 H 2.018 . . 78 . 12 ARG HG2 H 1.408 . . 79 . 12 ARG HG3 H 1.408 . . 80 . 12 ARG HD2 H 3.191 . . 81 . 12 ARG HD3 H 3.191 . . 82 . 12 ARG C C 177.5 . . 83 . 12 ARG CA C 58.9 . . 84 . 12 ARG CB C 28.5 . . 85 . 12 ARG CG C 25.4 . . 86 . 12 ARG CD C 42.2 . . 87 . 12 ARG N N 118.794 . . 88 . 13 LYS H H 8.093 . . 89 . 13 LYS HA H 4.041 . . 90 . 13 LYS HB2 H 1.876 . . 91 . 13 LYS HB3 H 1.876 . . 92 . 13 LYS HG2 H 1.649 . . 93 . 13 LYS HG3 H 1.470 . . 94 . 13 LYS HD2 H 1.661 . . 95 . 13 LYS HD3 H 1.661 . . 96 . 13 LYS HE2 H 2.937 . . 97 . 13 LYS HE3 H 2.937 . . 98 . 13 LYS C C 180.1 . . 99 . 13 LYS CA C 57.8 . . 100 . 13 LYS CB C 30.9 . . 101 . 13 LYS CG C 24.1 . . 102 . 13 LYS CD C 27.7 . . 103 . 13 LYS N N 116.429 . . 104 . 14 LEU H H 7.856 . . 105 . 14 LEU HA H 3.947 . . 106 . 14 LEU HB2 H 1.447 . . 107 . 14 LEU HB3 H 1.447 . . 108 . 14 LEU HG H 1.856 . . 109 . 14 LEU HD1 H 0.844 . . 110 . 14 LEU HD2 H 0.844 . . 111 . 14 LEU C C 180 . . 112 . 14 LEU CA C 56.7 . . 113 . 14 LEU CB C 40.3 . . 114 . 14 LEU CG C 25.2 . . 115 . 14 LEU CD1 C 21.4 . . 116 . 14 LEU CD2 C 21.4 . . 117 . 14 LEU N N 121.127 . . 118 . 15 ILE H H 7.903 . . 119 . 15 ILE HA H 3.934 . . 120 . 15 ILE HB H 1.726 . . 121 . 15 ILE HG12 H 1.945 . . 122 . 15 ILE HG13 H 0.756 . . 123 . 15 ILE HG2 H 0.816 . . 124 . 15 ILE HD1 H 0.418 . . 125 . 15 ILE C C 178.3 . . 126 . 15 ILE CA C 63.7 . . 127 . 15 ILE CB C 36.5 . . 128 . 15 ILE CG1 C 26.3 . . 129 . 15 ILE CG2 C 17.9 . . 130 . 15 ILE CD1 C 11.6 . . 131 . 15 ILE N N 120.058 . . 132 . 16 GLU H H 8.538 . . 133 . 16 GLU HA H 3.798 . . 134 . 16 GLU HB2 H 2.124 . . 135 . 16 GLU HB3 H 1.987 . . 136 . 16 GLU HG2 H 2.251 . . 137 . 16 GLU HG3 H 2.456 . . 138 . 16 GLU C C 178.8 . . 139 . 16 GLU CA C 57.8 . . 140 . 16 GLU CB C 28.7 . . 141 . 16 GLU CG C 36.1 . . 142 . 16 GLU N N 116.869 . . 143 . 17 SER H H 7.818 . . 144 . 17 SER HA H 4.310 . . 145 . 17 SER HB2 H 3.978 . . 146 . 17 SER HB3 H 3.978 . . 147 . 17 SER C C 175.8 . . 148 . 17 SER CA C 59.1 . . 149 . 17 SER CB C 61.9 . . 150 . 17 SER N N 110.229 . . 151 . 18 GLY H H 7.616 . . 152 . 18 GLY HA2 H 4.346 . . 153 . 18 GLY HA3 H 3.565 . . 154 . 18 GLY C C 173 . . 155 . 18 GLY CA C 44 . . 156 . 18 GLY N N 106.918 . . 157 . 19 LEU H H 7.707 . . 158 . 19 LEU HA H 4.845 . . 159 . 19 LEU HB2 H 1.461 . . 160 . 19 LEU HB3 H 1.253 . . 161 . 19 LEU HG H 1.534 . . 162 . 19 LEU HD1 H 0.711 . . 163 . 19 LEU HD2 H 0.711 . . 164 . 19 LEU CA C 50.1 . . 165 . 19 LEU CB C 41.8 . . 166 . 19 LEU N N 122.612 . . 167 . 20 PRO HA H 4.396 . . 168 . 20 PRO HB2 H 2.268 . . 169 . 20 PRO HB3 H 2.268 . . 170 . 20 PRO HG2 H 1.875 . . 171 . 20 PRO HG3 H 1.875 . . 172 . 20 PRO HD2 H 3.390 . . 173 . 20 PRO HD3 H 3.554 . . 174 . 20 PRO C C 177 . . 175 . 20 PRO CA C 62 . . 176 . 20 PRO CB C 30.5 . . 177 . 20 PRO CG C 26.0 . . 178 . 20 PRO CD C 48.9 . . 179 . 21 GLU H H 8.906 . . 180 . 21 GLU HA H 3.951 . . 181 . 21 GLU HB2 H 2.136 . . 182 . 21 GLU HB3 H 1.873 . . 183 . 21 GLU HG2 H 2.120 . . 184 . 21 GLU HG3 H 2.120 . . 185 . 21 GLU C C 175.1 . . 186 . 21 GLU CA C 55.1 . . 187 . 21 GLU CB C 27 . . 188 . 21 GLU CG C 35.3 . . 189 . 21 GLU N N 118.789 . . 190 . 22 ALA H H 7.965 . . 191 . 22 ALA HA H 4.832 . . 192 . 22 ALA HB H 1.126 . . 193 . 22 ALA C C 177.6 . . 194 . 22 ALA CA C 50.2 . . 195 . 22 ALA CB C 19.4 . . 196 . 22 ALA N N 121.191 . . 197 . 23 ARG H H 8.798 . . 198 . 23 ARG HA H 4.660 . . 199 . 23 ARG HB2 H 1.788 . . 200 . 23 ARG HB3 H 1.788 . . 201 . 23 ARG HG2 H 1.671 . . 202 . 23 ARG HG3 H 1.671 . . 203 . 23 ARG HD2 H 3.182 . . 204 . 23 ARG HD3 H 3.182 . . 205 . 23 ARG C C 175.9 . . 206 . 23 ARG CA C 53.9 . . 207 . 23 ARG CB C 30 . . 208 . 23 ARG CG C 25.5 . . 209 . 23 ARG CD C 42.4 . . 210 . 23 ARG N N 122.782 . . 211 . 24 VAL H H 9.121 . . 212 . 24 VAL HA H 4.953 . . 213 . 24 VAL HB H 2.076 . . 214 . 24 VAL HG1 H 0.883 . . 215 . 24 VAL HG2 H 0.883 . . 216 . 24 VAL C C 173.6 . . 217 . 24 VAL CA C 59.6 . . 218 . 24 VAL CB C 33.2 . . 219 . 24 VAL CG1 C 21.2 . . 220 . 24 VAL CG2 C 21.2 . . 221 . 24 VAL N N 126.901 . . 222 . 25 ASP H H 8.691 . . 223 . 25 ASP HA H 5.009 . . 224 . 25 ASP HB2 H 2.655 . . 225 . 25 ASP HB3 H 2.554 . . 226 . 25 ASP C C 175.2 . . 227 . 25 ASP CA C 51.9 . . 228 . 25 ASP CB C 43.3 . . 229 . 25 ASP N N 126.977 . . 230 . 26 VAL H H 8.608 . . 231 . 26 VAL HA H 5.036 . . 232 . 26 VAL HB H 1.941 . . 233 . 26 VAL HG1 H 0.940 . . 234 . 26 VAL HG2 H 0.736 . . 235 . 26 VAL C C 174 . . 236 . 26 VAL CA C 59.4 . . 237 . 26 VAL CB C 32.9 . . 238 . 26 VAL CG1 C 20.2 . . 239 . 26 VAL CG2 C 20.2 . . 240 . 26 VAL N N 123.789 . . 241 . 27 GLN H H 9.113 . . 242 . 27 GLN HA H 4.801 . . 243 . 27 GLN HB2 H 2.242 . . 244 . 27 GLN HB3 H 1.951 . . 245 . 27 GLN HG2 H 2.389 . . 246 . 27 GLN HG3 H 2.389 . . 247 . 27 GLN C C 175.1 . . 248 . 27 GLN CA C 52.5 . . 249 . 27 GLN CB C 30.8 . . 250 . 27 GLN CG C 31.9 . . 251 . 27 GLN N N 124.769 . . 252 . 28 GLY H H 8.873 . . 253 . 28 GLY HA2 H 4.044 . . 254 . 28 GLY HA3 H 4.044 . . 255 . 28 GLY C C 173.8 . . 256 . 28 GLY CA C 45.9 . . 257 . 28 GLY N N 111.295 . . 258 . 29 GLU H H 8.87 . . 259 . 29 GLU HA H 4.478 . . 260 . 29 GLU HB2 H 1.959 . . 261 . 29 GLU HB3 H 1.959 . . 262 . 29 GLU HG2 H 2.265 . . 263 . 29 GLU HG3 H 2.265 . . 264 . 29 GLU C C 176.8 . . 265 . 29 GLU CA C 55.9 . . 266 . 29 GLU CB C 30.2 . . 267 . 29 GLU CG C 34.6 . . 268 . 29 GLU N N 123.741 . . 269 . 30 ASP H H 8.327 . . 270 . 30 ASP HA H 4.597 . . 271 . 30 ASP HB2 H 3.115 . . 272 . 30 ASP HB3 H 2.671 . . 273 . 30 ASP C C 177.3 . . 274 . 30 ASP CA C 52.3 . . 275 . 30 ASP CB C 39.2 . . 276 . 30 ASP N N 118.652 . . 277 . 31 GLY H H 8.207 . . 278 . 31 GLY HA2 H 3.721 . . 279 . 31 GLY HA3 H 4.187 . . 280 . 31 GLY C C 173 . . 281 . 31 GLY CA C 44.5 . . 282 . 31 GLY N N 109.062 . . 283 . 32 VAL H H 8.008 . . 284 . 32 VAL HA H 4.162 . . 285 . 32 VAL HB H 1.400 . . 286 . 32 VAL HG1 H 0.547 . . 287 . 32 VAL HG2 H 0.382 . . 288 . 32 VAL C C 174.1 . . 289 . 32 VAL CA C 61.8 . . 290 . 32 VAL CB C 34 . . 291 . 32 VAL CG1 C 19.0 . . 292 . 32 VAL CG2 C 19.0 . . 293 . 32 VAL N N 117.596 . . 294 . 33 HIS H H 9.477 . . 295 . 33 HIS HA H 4.944 . . 296 . 33 HIS HB2 H 3.289 . . 297 . 33 HIS HB3 H 3.072 . . 298 . 33 HIS C C 174.2 . . 299 . 33 HIS CA C 54.7 . . 300 . 33 HIS CB C 27.3 . . 301 . 33 HIS N N 120.102 . . 302 . 34 PHE H H 8.563 . . 303 . 34 PHE HA H 5.377 . . 304 . 34 PHE HB2 H 2.728 . . 305 . 34 PHE HB3 H 2.728 . . 306 . 34 PHE HD1 H 7.310 . . 307 . 34 PHE HD2 H 7.310 . . 308 . 34 PHE HE1 H 7.403 . . 309 . 34 PHE HE2 H 7.403 . . 310 . 34 PHE C C 175.2 . . 311 . 34 PHE CA C 55 . . 312 . 34 PHE CB C 42.3 . . 313 . 34 PHE N N 120.983 . . 314 . 35 GLU H H 9.175 . . 315 . 35 GLU HA H 5.237 . . 316 . 35 GLU HB2 H 1.936 . . 317 . 35 GLU HB3 H 2.054 . . 318 . 35 GLU HG2 H 2.131 . . 319 . 35 GLU HG3 H 2.131 . . 320 . 35 GLU C C 174.7 . . 321 . 35 GLU CA C 53.3 . . 322 . 35 GLU CB C 31.2 . . 323 . 35 GLU CG C 34.6 . . 324 . 35 GLU N N 122.305 . . 325 . 36 ALA H H 9.048 . . 326 . 36 ALA HA H 5.698 . . 327 . 36 ALA HB H 1.106 . . 328 . 36 ALA C C 175.7 . . 329 . 36 ALA CA C 48.7 . . 330 . 36 ALA CB C 21 . . 331 . 36 ALA N N 125.649 . . 332 . 37 THR H H 9.086 . . 333 . 37 THR HA H 5.102 . . 334 . 37 THR HB H 4.056 . . 335 . 37 THR HG2 H 1.121 . . 336 . 37 THR C C 173.6 . . 337 . 37 THR CA C 60.5 . . 338 . 37 THR CB C 68.5 . . 339 . 37 THR CG2 C 20.1 . . 340 . 37 THR N N 120.681 . . 341 . 38 VAL H H 9.155 . . 342 . 38 VAL HA H 4.830 . . 343 . 38 VAL HB H 2.111 . . 344 . 38 VAL HG1 H 0.916 . . 345 . 38 VAL HG2 H 0.916 . . 346 . 38 VAL C C 173.7 . . 347 . 38 VAL CA C 59.3 . . 348 . 38 VAL CB C 33.4 . . 349 . 38 VAL CG1 C 20.1 . . 350 . 38 VAL CG2 C 20.1 . . 351 . 38 VAL N N 127.022 . . 352 . 39 VAL H H 9.096 . . 353 . 39 VAL HA H 5.497 . . 354 . 39 VAL HB H 2.016 . . 355 . 39 VAL HG1 H 0.892 . . 356 . 39 VAL HG2 H 0.703 . . 357 . 39 VAL CA C 58.3 . . 358 . 39 VAL CB C 32.1 . . 359 . 39 VAL CG1 C 19.1 . . 360 . 39 VAL CG2 C 19.1 . . 361 . 39 VAL N N 128.959 . . 362 . 40 SER H H 8.223 . . 363 . 40 SER HA H 5.130 . . 364 . 40 SER HB2 H 3.352 . . 365 . 40 SER HB3 H 3.352 . . 366 . 40 SER CA C 53.3 . . 367 . 40 SER CB C 63.4 . . 368 . 40 SER N N 117.418 . . 369 . 41 PRO HA H 4.346 . . 370 . 41 PRO HB2 H 2.367 . . 371 . 41 PRO HB3 H 2.367 . . 372 . 41 PRO HG2 H 2.053 . . 373 . 41 PRO HG3 H 2.053 . . 374 . 41 PRO HD2 H 3.17 . . 375 . 41 PRO HD3 H 3.71 . . 376 . 41 PRO C C 177.3 . . 377 . 41 PRO CA C 62.5 . . 378 . 41 PRO CB C 30.3 . . 379 . 41 PRO CG C 25.7 . . 380 . 41 PRO CD C 50.7 . . 381 . 42 ALA H H 8.253 . . 382 . 42 ALA HA H 4.154 . . 383 . 42 ALA HB H 1.074 . . 384 . 42 ALA C C 177.8 . . 385 . 42 ALA CA C 52 . . 386 . 42 ALA CB C 16.7 . . 387 . 42 ALA N N 121.998 . . 388 . 43 PHE H H 6.922 . . 389 . 43 PHE HA H 4.572 . . 390 . 43 PHE HB2 H 3.180 . . 391 . 43 PHE HB3 H 2.996 . . 392 . 43 PHE HD1 H 7.163 . . 393 . 43 PHE HD2 H 7.163 . . 394 . 43 PHE HE1 H 6.879 . . 395 . 43 PHE HE2 H 6.879 . . 396 . 43 PHE C C 175.6 . . 397 . 43 PHE CA C 52.9 . . 398 . 43 PHE CB C 36.3 . . 399 . 43 PHE N N 112.379 . . 400 . 44 VAL H H 7.387 . . 401 . 44 VAL HA H 3.688 . . 402 . 44 VAL HB H 2.095 . . 403 . 44 VAL HG1 H 1.215 . . 404 . 44 VAL HG2 H 0.987 . . 405 . 44 VAL C C 177.5 . . 406 . 44 VAL CA C 63.6 . . 407 . 44 VAL CB C 30 . . 408 . 44 VAL CG1 C 19.2 . . 409 . 44 VAL CG2 C 21.5 . . 410 . 44 VAL N N 121.041 . . 411 . 45 GLY H H 9.158 . . 412 . 45 GLY HA2 H 4.177 . . 413 . 45 GLY HA3 H 3.741 . . 414 . 45 GLY C C 173.9 . . 415 . 45 GLY CA C 44 . . 416 . 45 GLY N N 116.292 . . 417 . 46 LYS H H 7.962 . . 418 . 46 LYS HA H 4.692 . . 419 . 46 LYS HB2 H 1.594 . . 420 . 46 LYS HB3 H 1.594 . . 421 . 46 LYS HG2 H 1.380 . . 422 . 46 LYS HG3 H 1.380 . . 423 . 46 LYS HD2 H 1.982 . . 424 . 46 LYS HD3 H 1.982 . . 425 . 46 LYS HE2 H 3.07 . . 426 . 46 LYS HE3 H 3.07 . . 427 . 46 LYS C C 176.6 . . 428 . 46 LYS CA C 52.4 . . 429 . 46 LYS CB C 32.4 . . 430 . 46 LYS CG C 27.6 . . 431 . 46 LYS CD C 23.7 . . 432 . 46 LYS CE C 41.4 . . 433 . 46 LYS N N 118.975 . . 434 . 47 ALA H H 8.951 . . 435 . 47 ALA HA H 4.537 . . 436 . 47 ALA HB H 1.537 . . 437 . 47 ALA CA C 49.4 . . 438 . 47 ALA CB C 15.7 . . 439 . 47 ALA N N 129.445 . . 440 . 48 PRO HA H 3.754 . . 441 . 48 PRO HB2 H 2.218 . . 442 . 48 PRO HB3 H 2.218 . . 443 . 48 PRO HG2 H 1.807 . . 444 . 48 PRO HG3 H 1.807 . . 445 . 48 PRO C C 177.7 . . 446 . 48 PRO CA C 65.7 . . 447 . 48 PRO CB C 30.5 . . 448 . 48 PRO CG C 26.3 . . 449 . 49 LEU H H 8.44 . . 450 . 49 LEU HA H 3.878 . . 451 . 49 LEU HB2 H 1.536 . . 452 . 49 LEU HB3 H 1.620 . . 453 . 49 LEU HG H 1.578 . . 454 . 49 LEU HD1 H 0.852 . . 455 . 49 LEU HD2 H 0.937 . . 456 . 49 LEU C C 179.2 . . 457 . 49 LEU CA C 56.7 . . 458 . 49 LEU CB C 39.9 . . 459 . 49 LEU CG C 25.7 . . 460 . 49 LEU CD1 C 22.8 . . 461 . 49 LEU CD2 C 22.8 . . 462 . 49 LEU N N 115.47 . . 463 . 50 ALA H H 6.98 . . 464 . 50 ALA HA H 4.141 . . 465 . 50 ALA HB H 1.584 . . 466 . 50 ALA C C 181 . . 467 . 50 ALA CA C 53.2 . . 468 . 50 ALA CB C 17.2 . . 469 . 50 ALA N N 120.431 . . 470 . 51 ARG H H 7.998 . . 471 . 51 ARG HA H 3.887 . . 472 . 51 ARG HB2 H 2.004 . . 473 . 51 ARG HB3 H 2.208 . . 474 . 51 ARG HG2 H 0.514 . . 475 . 51 ARG HG3 H 0.987 . . 476 . 51 ARG HD2 H 2.872 . . 477 . 51 ARG HD3 H 2.872 . . 478 . 51 ARG C C 178.4 . . 479 . 51 ARG CA C 57.6 . . 480 . 51 ARG CB C 28 . . 481 . 51 ARG CG C 25.1 . . 482 . 51 ARG CD C 42.2 . . 483 . 51 ARG N N 117.685 . . 484 . 52 HIS H H 8.308 . . 485 . 52 HIS HA H 3.750 . . 486 . 52 HIS HB2 H 3.193 . . 487 . 52 HIS HB3 H 2.863 . . 488 . 52 HIS C C 177.2 . . 489 . 52 HIS CA C 57.7 . . 490 . 52 HIS CB C 28.5 . . 491 . 52 HIS N N 117.175 . . 492 . 53 ARG H H 8.197 . . 493 . 53 ARG HA H 4.030 . . 494 . 53 ARG HB2 H 1.982 . . 495 . 53 ARG HB3 H 1.982 . . 496 . 53 ARG HG2 H 1.764 . . 497 . 53 ARG HG3 H 1.764 . . 498 . 53 ARG HD2 H 3.226 . . 499 . 53 ARG HD3 H 3.226 . . 500 . 53 ARG C C 179.1 . . 501 . 53 ARG CA C 58.6 . . 502 . 53 ARG CB C 28.5 . . 503 . 53 ARG CG C 26.4 . . 504 . 53 ARG CD C 42.1 . . 505 . 53 ARG N N 117.982 . . 506 . 54 MET H H 7.782 . . 507 . 54 MET HA H 4.089 . . 508 . 54 MET HB2 H 2.641 . . 509 . 54 MET HB3 H 2.277 . . 510 . 54 MET HG2 H 2.895 . . 511 . 54 MET HG3 H 2.895 . . 512 . 54 MET C C 178.6 . . 513 . 54 MET CA C 57.8 . . 514 . 54 MET CB C 32.8 . . 515 . 54 MET N N 117.924 . . 516 . 55 VAL H H 7.433 . . 517 . 55 VAL HA H 3.641 . . 518 . 55 VAL HB H 2.000 . . 519 . 55 VAL HG1 H 0.695 . . 520 . 55 VAL HG2 H 1.085 . . 521 . 55 VAL C C 179.3 . . 522 . 55 VAL CA C 64.8 . . 523 . 55 VAL CB C 29.3 . . 524 . 55 VAL CG1 C 22.308 . . 525 . 55 VAL CG2 C 20.413 . . 526 . 55 VAL N N 117.559 . . 527 . 56 TYR H H 8.949 . . 528 . 56 TYR HA H 4.243 . . 529 . 56 TYR HB2 H 3.177 . . 530 . 56 TYR HB3 H 2.990 . . 531 . 56 TYR HD1 H 6.957 . . 532 . 56 TYR HD2 H 6.957 . . 533 . 56 TYR HE1 H 6.766 . . 534 . 56 TYR HE2 H 6.766 . . 535 . 56 TYR C C 179.1 . . 536 . 56 TYR CA C 59.1 . . 537 . 56 TYR CB C 35.3 . . 538 . 56 TYR N N 121.138 . . 539 . 57 ALA H H 8.166 . . 540 . 57 ALA HA H 4.247 . . 541 . 57 ALA HB H 1.563 . . 542 . 57 ALA C C 180.1 . . 543 . 57 ALA CA C 53.5 . . 544 . 57 ALA CB C 16.7 . . 545 . 57 ALA N N 120.468 . . 546 . 58 THR H H 7.503 . . 547 . 58 THR HA H 4.253 . . 548 . 58 THR HB H 4.148 . . 549 . 58 THR HG2 H 1.429 . . 550 . 58 THR C C 175.8 . . 551 . 58 THR CA C 62.6 . . 552 . 58 THR CB C 67.5 . . 553 . 58 THR CG2 C 20.8 . . 554 . 58 THR N N 108.536 . . 555 . 59 LEU H H 7.215 . . 556 . 59 LEU HA H 4.304 . . 557 . 59 LEU HB2 H 1.775 . . 558 . 59 LEU HB3 H 1.775 . . 559 . 59 LEU HG H 1.432 . . 560 . 59 LEU HD1 H 0.702 . . 561 . 59 LEU HD2 H 0.702 . . 562 . 59 LEU C C 178 . . 563 . 59 LEU CA C 53.4 . . 564 . 59 LEU CB C 41.1 . . 565 . 59 LEU CG C 25.1 . . 566 . 59 LEU CD1 C 22.6 . . 567 . 59 LEU CD2 C 22.6 . . 568 . 59 LEU N N 119.319 . . 569 . 60 GLY H H 7.61 . . 570 . 60 GLY HA2 H 3.868 . . 571 . 60 GLY HA3 H 3.868 . . 572 . 60 GLY C C 41.1 . . 573 . 60 GLY CA C 45.8 . . 574 . 60 GLY N N 107.022 . . 575 . 61 GLU H H 8.983 . . 576 . 61 GLU HA H 4.265 . . 577 . 61 GLU HB2 H 1.980 . . 578 . 61 GLU HB3 H 2.155 . . 579 . 61 GLU HG2 H 2.273 . . 580 . 61 GLU HG3 H 2.273 . . 581 . 61 GLU C C 177.4 . . 582 . 61 GLU CA C 55.9 . . 583 . 61 GLU CB C 27.9 . . 584 . 61 GLU CG C 34.9 . . 585 . 61 GLU N N 123.826 . . 586 . 62 LEU H H 7.902 . . 587 . 62 LEU HA H 4.244 . . 588 . 62 LEU HB2 H 1.437 . . 589 . 62 LEU HB3 H 1.772 . . 590 . 62 LEU HG H 1.676 . . 591 . 62 LEU HD1 H 0.808 . . 592 . 62 LEU HD2 H 0.808 . . 593 . 62 LEU C C 178.4 . . 594 . 62 LEU CA C 55.3 . . 595 . 62 LEU CB C 40.9 . . 596 . 62 LEU CG C 25.8 . . 597 . 62 LEU CD1 C 22.1 . . 598 . 62 LEU CD2 C 23.9 . . 599 . 62 LEU N N 119.372 . . 600 . 63 MET H H 7.717 . . 601 . 63 MET HA H 4.395 . . 602 . 63 MET HB2 H 2.062 . . 603 . 63 MET HB3 H 1.904 . . 604 . 63 MET HG2 H 2.358 . . 605 . 63 MET HG3 H 2.441 . . 606 . 63 MET C C 177 . . 607 . 63 MET CA C 54.2 . . 608 . 63 MET CB C 29.7 . . 609 . 63 MET N N 115.313 . . 610 . 64 GLY H H 8.284 . . 611 . 64 GLY HA2 H 4.009 . . 612 . 64 GLY HA3 H 3.829 . . 613 . 64 GLY C C 175.0 . . 614 . 64 GLY CA C 44.7 . . 615 . 64 GLY N N 110.528 . . 616 . 65 GLY H H 7.953 . . 617 . 65 GLY HA2 H 3.957 . . 618 . 65 GLY HA3 H 3.957 . . 619 . 65 GLY C C 174.3 . . 620 . 65 GLY CA C 44.49 . . 621 . 65 GLY N N 109.26 . . 622 . 66 ALA H H 8.124 . . 623 . 66 ALA HA H 4.307 . . 624 . 66 ALA HB H 1.462 . . 625 . 66 ALA C C 178 . . 626 . 66 ALA CA C 52.2 . . 627 . 66 ALA CB C 18 . . 628 . 66 ALA N N 124.81 . . 629 . 67 ILE H H 7.741 . . 630 . 67 ILE HA H 4.000 . . 631 . 67 ILE HB H 1.743 . . 632 . 67 ILE HG12 H 0.832 . . 633 . 67 ILE HG13 H 1.293 . . 634 . 67 ILE HG2 H 0.676 . . 635 . 67 ILE HD1 H 0.631 . . 636 . 67 ILE CA C 60.3 . . 637 . 67 ILE CB C 37 . . 638 . 67 ILE N N 115.792 . . 639 . 68 HIS HA H 4.581 . . 640 . 68 HIS HB2 H 3.163 . . 641 . 68 HIS HB3 H 2.913 . . 642 . 68 HIS C C 175.3 . . 643 . 68 HIS CA C 55.5 . . 644 . 68 HIS CB C 28.8 . . 645 . 69 ALA H H 7.76 . . 646 . 69 ALA HA H 4.496 . . 647 . 69 ALA HB H 1.479 . . 648 . 69 ALA C C 175.2 . . 649 . 69 ALA CA C 50.9 . . 650 . 69 ALA CB C 19.7 . . 651 . 69 ALA N N 120.663 . . 652 . 70 LEU H H 8.243 . . 653 . 70 LEU HA H 4.982 . . 654 . 70 LEU HB2 H 1.940 . . 655 . 70 LEU HB3 H 1.940 . . 656 . 70 LEU HG H 1.243 . . 657 . 70 LEU HD1 H 0.716 . . 658 . 70 LEU HD2 H 0.716 . . 659 . 70 LEU C C 174.8 . . 660 . 70 LEU CA C 52 . . 661 . 70 LEU CB C 42.7 . . 662 . 70 LEU CG C 25.3 . . 663 . 70 LEU CD1 C 22.8 . . 664 . 70 LEU CD2 C 22.8 . . 665 . 70 LEU N N 122.332 . . 666 . 71 GLN H H 8.624 . . 667 . 71 GLN HA H 4.640 . . 668 . 71 GLN HB2 H 2.097 . . 669 . 71 GLN HB3 H 2.097 . . 670 . 71 GLN HG2 H 2.425 . . 671 . 71 GLN HG3 H 2.425 . . 672 . 71 GLN CA C 53.6 . . 673 . 71 GLN CB C 28.4 . . 674 . 71 GLN CG C 32.3 . . 675 . 71 GLN N N 127.641 . . 676 . 72 LEU H H 8.613 . . 677 . 72 LEU HA H 5.196 . . 678 . 72 LEU HB2 H 0.984 . . 679 . 72 LEU HB3 H 0.984 . . 680 . 72 LEU HG H 1.185 . . 681 . 72 LEU HD1 H 0.481 . . 682 . 72 LEU HD2 H 0.300 . . 683 . 72 LEU C C 175.8 . . 684 . 72 LEU CA C 52.4 . . 685 . 72 LEU CB C 44.6 . . 686 . 72 LEU CG C 24.6 . . 687 . 72 LEU CD1 C 24.1 . . 688 . 72 LEU CD2 C 24.1 . . 689 . 72 LEU N N 125.699 . . 690 . 73 LYS H H 8.583 . . 691 . 73 LYS HA H 4.688 . . 692 . 73 LYS HB2 H 1.836 . . 693 . 73 LYS HB3 H 1.836 . . 694 . 73 LYS HG2 H 1.443 . . 695 . 73 LYS HG3 H 1.443 . . 696 . 73 LYS HD2 H 0.956 . . 697 . 73 LYS HD3 H 1.141 . . 698 . 73 LYS HE2 H 2.987 . . 699 . 73 LYS HE3 H 2.987 . . 700 . 73 LYS C C 175.2 . . 701 . 73 LYS CA C 54.4 . . 702 . 73 LYS CB C 32.9 . . 703 . 73 LYS CG C 27.7 . . 704 . 73 LYS CD C 23.3 . . 705 . 73 LYS CE C 40.5 . . 706 . 73 LYS N N 124.183 . . 707 . 74 THR H H 8.732 . . 708 . 74 THR HA H 5.160 . . 709 . 74 THR HB H 2.911 . . 710 . 74 THR HG2 H 0.558 . . 711 . 74 THR C C 175.1 . . 712 . 74 THR CA C 55.6 . . 713 . 74 THR CB C 67.9 . . 714 . 74 THR CG2 C 20.4 . . 715 . 74 THR N N 113.899 . . 716 . 75 LEU H H 9.276 . . 717 . 75 LEU HA H 5.100 . . 718 . 75 LEU HB2 H 1.648 . . 719 . 75 LEU HB3 H 1.828 . . 720 . 75 LEU HG H 1.443 . . 721 . 75 LEU HD1 H 0.841 . . 722 . 75 LEU HD2 H 0.871 . . 723 . 75 LEU C C 176.4 . . 724 . 75 LEU CA C 52 . . 725 . 75 LEU CB C 44.7 . . 726 . 75 LEU CG C 25.7 . . 727 . 75 LEU CD1 C 22.1 . . 728 . 75 LEU CD2 C 24.2 . . 729 . 75 LEU N N 127.281 . . 730 . 76 THR H H 8.856 . . 731 . 76 THR HA H 4.931 . . 732 . 76 THR HB H 4.595 . . 733 . 76 THR HG2 H 1.334 . . 734 . 76 THR CA C 58.5 . . 735 . 76 THR CB C 65.2 . . 736 . 76 THR N N 112.856 . . 737 . 77 PRO HA H 4.036 . . 738 . 77 PRO HB2 H 2.392 . . 739 . 77 PRO HB3 H 2.162 . . 740 . 77 PRO HG2 H 1.881 . . 741 . 77 PRO HG3 H 1.881 . . 742 . 77 PRO HD2 H 3.198 . . 743 . 77 PRO HD3 H 3.798 . . 744 . 77 PRO C C 177.7 . . 745 . 77 PRO CA C 64.2 . . 746 . 77 PRO CB C 30.1 . . 747 . 77 PRO CG C 26.6 . . 748 . 77 PRO CD C 47.8 . . 749 . 78 ASP H H 8.051 . . 750 . 78 ASP HA H 4.520 . . 751 . 78 ASP HB2 H 2.638 . . 752 . 78 ASP HB3 H 2.638 . . 753 . 78 ASP C C 176.7 . . 754 . 78 ASP CA C 53.68 . . 755 . 78 ASP CB C 39.11 . . 756 . 78 ASP N N 112.61 . . 757 . 79 GLU H H 7.570 . . 758 . 79 GLU HA H 4.268 . . 759 . 79 GLU HB2 H 2.106 . . 760 . 79 GLU HB3 H 2.106 . . 761 . 79 GLU HG2 H 2.316 . . 762 . 79 GLU HG3 H 2.316 . . 763 . 79 GLU C C 175.6 . . 764 . 79 GLU CA C 54.48 . . 765 . 79 GLU CB C 30.62 . . 766 . 79 GLU CG C 35.1 . . 767 . 79 GLU N N 119.82 . . 768 . 80 ALA H H 7.220 . . 769 . 80 ALA HA H 4.103 . . 770 . 80 ALA HB H 1.339 . . 771 . 80 ALA CA C 52.28 . . 772 . 80 ALA CB C 19.16 . . 773 . 80 ALA N N 127.17 . . stop_ save_