data_4237 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side-chain 1H, 15N, and 13C Assignments for the Topological Specificity Domain of the MinE cell Division Protein ; _BMRB_accession_number 4237 _BMRB_flat_file_name bmr4237.str _Entry_type original _Submission_date 1998-10-06 _Accession_date 1998-10-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; The file contains near-complete backbone and side-chain 1H,15N, and 13C assignments for the MinE topological specificity domain ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 King Glenn F. . 2 Pan Borlan . . 3 Maciejewski Mark W. . 4 Rowland Susan L. . 5 Rothfield Lawrence I. . 6 Mullen Gregory P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 365 "13C chemical shifts" 254 "15N chemical shifts" 57 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-12-23 original author . stop_ _Original_release_date 1999-12-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone and side-chain 1H, 15N, and 13C Assignments for the Topological Specificity Domain of the MinE cell Division Protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99281466 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 King Glenn F. . 2 Pan Borlan . . 3 Maciejewski Mark W. . 4 Rowland Susan L. . 5 Rothfield Lawrence I. . 6 Mullen Gregory P. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 13 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 395 _Page_last 396 _Year 1999 _Details . loop_ _Keyword '1H,15N,13C assignments' 'cell division' MinE 'topological specificity' stop_ save_ ################################## # Molecular system description # ################################## save_MinE(31-88) _Saveframe_category molecular_system _Mol_system_name 'MinE topological specificity domain' _Abbreviation_common MinE(31-88) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MinE subunit 1' $MinE 'MinE subunit 2' $MinE stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'fully reduced' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'MinE subunit 1' 1 'MinE subunit 2' stop_ loop_ _Biological_function ; MinE interacts with the MinC and MinD proteins to ensure correct placement of the division septum in Escherichia coli ; stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MinE _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MinE _Abbreviation_common MinE _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 58 _Mol_residue_sequence ; RSDAEPHYLPQLRKDILEVI CKYVQIDPEMVTVQLEQKDG DISILELNVTLPEAEELK ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 SER 3 ASP 4 ALA 5 GLU 6 PRO 7 HIS 8 TYR 9 LEU 10 PRO 11 GLN 12 LEU 13 ARG 14 LYS 15 ASP 16 ILE 17 LEU 18 GLU 19 VAL 20 ILE 21 CYS 22 LYS 23 TYR 24 VAL 25 GLN 26 ILE 27 ASP 28 PRO 29 GLU 30 MET 31 VAL 32 THR 33 VAL 34 GLN 35 LEU 36 GLU 37 GLN 38 LYS 39 ASP 40 GLY 41 ASP 42 ILE 43 SER 44 ILE 45 LEU 46 GLU 47 LEU 48 ASN 49 VAL 50 THR 51 LEU 52 PRO 53 GLU 54 ALA 55 GLU 56 GLU 57 LEU 58 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-11 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 1EV0 "Solution Structure Of The Mine Topological Specificity Domain" 100.00 58 100.00 100.00 8.97e-32 PDB 3R9J "4.3a Resolution Structure Of A Mind-Mine(I24n) Protein Complex" 100.00 77 100.00 100.00 3.45e-32 DBJ BAA36008 "cell division topological specificity factor [Escherichia coli str. K12 substr. W3110]" 100.00 88 100.00 100.00 2.93e-32 DBJ BAB35091 "cell division topological specificity factor MinE [Escherichia coli O157:H7 str. Sakai]" 100.00 88 100.00 100.00 2.93e-32 DBJ BAG76744 "cell division topological specificity factor [Escherichia coli SE11]" 100.00 88 100.00 100.00 2.93e-32 DBJ BAI24985 "cell division topological specificity factor MinE [Escherichia coli O26:H11 str. 11368]" 100.00 88 100.00 100.00 2.93e-32 DBJ BAI30111 "cell division topological specificity factor MinE [Escherichia coli O103:H2 str. 12009]" 100.00 88 100.00 100.00 2.93e-32 EMBL CAD05499 "cell division topological specificity factor [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 88 98.28 98.28 1.83e-31 EMBL CAP75708 "Cell division topological specificity factor [Escherichia coli LF82]" 100.00 88 100.00 100.00 2.93e-32 EMBL CAQ31676 "cell division topological specificity factor and inhibitory component of the MinC-MinD-MinE system that regulates septum placem" 100.00 88 100.00 100.00 2.93e-32 EMBL CAQ89293 "cell division topological specificity factor [Escherichia fergusonii ATCC 35469]" 100.00 88 98.28 100.00 1.05e-31 EMBL CAQ98052 "cell division topological specificity factor [Escherichia coli IAI1]" 100.00 88 100.00 100.00 2.93e-32 GB AAB59063 "MinE protein [Escherichia coli]" 100.00 88 100.00 100.00 2.93e-32 GB AAC74258 "cell division topological specificity factor [Escherichia coli str. K-12 substr. MG1655]" 100.00 88 100.00 100.00 2.93e-32 GB AAG56025 "cell division topological specificity factor, reverses MinC inhibition of ftsZ ring formation [Escherichia coli O157:H7 str. ED" 100.00 88 100.00 100.00 2.93e-32 GB AAL20731 "cell division topological specificity factor [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 88 98.28 98.28 1.83e-31 GB AAN42777 "cell division topological specificity factor [Shigella flexneri 2a str. 301]" 100.00 88 100.00 100.00 2.93e-32 PIR AI0724 "cell division topological specificity factor [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 100.00 88 98.28 98.28 1.83e-31 REF NP_309695 "cell division topological specificity factor MinE [Escherichia coli O157:H7 str. Sakai]" 100.00 88 100.00 100.00 2.93e-32 REF NP_415692 "cell division topological specificity factor [Escherichia coli str. K-12 substr. MG1655]" 100.00 88 100.00 100.00 2.93e-32 REF NP_456323 "cell division topological specificity factor [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 88 98.28 98.28 1.83e-31 REF NP_460772 "cell division topological specificity factor MinE [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 88 98.28 98.28 1.83e-31 REF NP_707070 "cell division topological specificity factor MinE [Shigella flexneri 2a str. 301]" 100.00 88 100.00 100.00 2.93e-32 SP A1AA98 "RecName: Full=Cell division topological specificity factor" 100.00 88 100.00 100.00 2.93e-32 SP A4WBG2 "RecName: Full=Cell division topological specificity factor" 96.55 89 100.00 100.00 5.86e-31 SP A7ZKU5 "RecName: Full=Cell division topological specificity factor" 100.00 88 100.00 100.00 2.93e-32 SP A7ZZA8 "RecName: Full=Cell division topological specificity factor" 100.00 88 100.00 100.00 2.93e-32 SP A8AFQ7 "RecName: Full=Cell division topological specificity factor" 96.55 88 100.00 100.00 3.74e-31 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $MinE 'Escherichia coli' 562 Eubacteria . Escherichia coli minE 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 _Details $MinE 'recombinant technology' . . . . . ; Protein was expressed as a His-tag fusion and purified using nickel affinity chromatography. The His-tag was then removed by thrombin cleavage. ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $MinE . mM 2.9 3.5 [U-15N] stop_ save_ save_Sample2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $MinE . mM 2.9 3.5 '[U-15N; U-13C]' stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 95 loop_ _Task 'data processing' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.13 loop_ _Task 'spectral analysis' stop_ _Details . 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_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label . save_ save_3D_TOCSY-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TOCSY-HSQC' _Sample_label . save_ save_3D_HC(CO)NH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(CO)NH-TOCSY' _Sample_label . save_ save_3D_C(CO)NH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH-TOCSY' _Sample_label . save_ save_3D_13C_NOESY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C NOESY-HSQC' _Sample_label . save_ save_3D_15N_NOESY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY-HSQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(CO)NH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details ; Samples contained 15 mM DTT and 1 mM EDTA to prevent oxidation of the single cysteine residue in each MinE(31-88) monomer ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.075 0.005 M pH 5.7 0.1 n/a temperature 298 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $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_Shift_Set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $Sample1 $Sample2 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'MinE subunit 1' _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 ARG H H 8.52 0.02 1 2 . 1 ARG HA H 4.44 0.02 1 3 . 1 ARG HB2 H 1.96 0.02 2 4 . 1 ARG HB3 H 1.86 0.02 2 5 . 1 ARG HG2 H 1.72 0.02 1 6 . 1 ARG HG3 H 1.72 0.02 1 7 . 1 ARG HD2 H 3.28 0.02 1 8 . 1 ARG HD3 H 3.28 0.02 1 9 . 1 ARG HE H 7.45 0.02 1 10 . 1 ARG C C 176.7 0.1 1 11 . 1 ARG CA C 56.7 0.1 1 12 . 1 ARG CB C 31.6 0.1 1 13 . 1 ARG CG C 27.6 0.1 1 14 . 1 ARG CD C 43.9 0.1 1 15 . 1 ARG N N 123.9 0.1 1 16 . 2 SER H H 8.54 0.02 1 17 . 2 SER HA H 4.51 0.02 1 18 . 2 SER HB2 H 3.97 0.02 1 19 . 2 SER HB3 H 3.97 0.02 1 20 . 2 SER C C 174.6 0.1 1 21 . 2 SER CA C 59.1 0.1 1 22 . 2 SER CB C 64.5 0.1 1 23 . 2 SER N N 117.5 0.1 1 24 . 3 ASP H H 8.39 0.02 1 25 . 3 ASP HA H 4.67 0.02 1 26 . 3 ASP HB2 H 2.76 0.02 1 27 . 3 ASP HB3 H 2.76 0.02 1 28 . 3 ASP C C 175.8 0.1 1 29 . 3 ASP CA C 54.8 0.1 1 30 . 3 ASP CB C 41.3 0.1 1 31 . 3 ASP N N 122.2 0.1 1 32 . 4 ALA H H 8.00 0.02 1 33 . 4 ALA HA H 4.36 0.02 1 34 . 4 ALA HB H 1.37 0.02 1 35 . 4 ALA C C 177.3 0.1 1 36 . 4 ALA CA C 52.4 0.1 1 37 . 4 ALA CB C 20.0 0.1 1 38 . 4 ALA N N 123.2 0.1 1 39 . 5 GLU H H 8.11 0.02 1 40 . 5 GLU HA H 4.46 0.02 1 41 . 5 GLU HB2 H 1.92 0.02 1 42 . 5 GLU HB3 H 1.92 0.02 1 43 . 5 GLU HG2 H 2.30 0.02 2 44 . 5 GLU HG3 H 2.21 0.02 2 45 . 5 GLU CA C 54.3 0.1 1 46 . 5 GLU CB C 30.1 0.1 1 47 . 5 GLU N N 120.3 0.1 1 48 . 6 PRO HA H 4.41 0.02 1 49 . 6 PRO HB2 H 2.11 0.02 1 50 . 6 PRO HB3 H 2.11 0.02 1 51 . 6 PRO HG2 H 1.72 0.02 2 52 . 6 PRO HG3 H 0.97 0.02 2 53 . 6 PRO HD2 H 3.90 0.02 2 54 . 6 PRO HD3 H 3.37 0.02 2 55 . 6 PRO C C 179.0 0.1 1 56 . 6 PRO CA C 63.2 0.1 1 57 . 6 PRO CB C 32.5 0.1 1 58 . 6 PRO CG C 28.0 0.1 1 59 . 6 PRO CD C 50.7 0.1 1 60 . 7 HIS H H 9.54 0.02 1 61 . 7 HIS HA H 4.43 0.02 1 62 . 7 HIS HB2 H 3.42 0.02 1 63 . 7 HIS HB3 H 3.42 0.02 1 64 . 7 HIS HD2 H 7.29 0.02 1 65 . 7 HIS HE1 H 7.57 0.02 1 66 . 7 HIS C C 175.2 0.1 1 67 . 7 HIS CA C 58.6 0.1 1 68 . 7 HIS CB C 29.3 0.1 1 69 . 7 HIS N N 121.2 0.1 1 70 . 8 TYR H H 6.44 0.02 1 71 . 8 TYR HA H 4.72 0.02 1 72 . 8 TYR HB2 H 3.41 0.02 2 73 . 8 TYR HB3 H 2.86 0.02 2 74 . 8 TYR HD1 H 6.75 0.02 1 75 . 8 TYR HD2 H 6.75 0.02 1 76 . 8 TYR HE1 H 6.75 0.02 1 77 . 8 TYR HE2 H 6.75 0.02 1 78 . 8 TYR C C 176.1 0.1 1 79 . 8 TYR CA C 56.4 0.1 1 80 . 8 TYR CB C 38.7 0.1 1 81 . 8 TYR N N 111.3 0.1 1 82 . 9 LEU H H 7.19 0.02 1 83 . 9 LEU HA H 3.93 0.02 1 84 . 9 LEU HB2 H 1.73 0.02 2 85 . 9 LEU HB3 H 1.34 0.02 2 86 . 9 LEU HG H 1.52 0.02 1 87 . 9 LEU HD1 H 0.84 0.02 2 88 . 9 LEU HD2 H 0.80 0.02 2 89 . 9 LEU CA C 60.1 0.1 1 90 . 9 LEU CB C 39.6 0.1 1 91 . 9 LEU CG C 27.8 0.1 1 92 . 9 LEU CD1 C 26.0 0.1 1 93 . 9 LEU CD2 C 26.0 0.1 1 94 . 10 PRO HA H 4.24 0.02 1 95 . 10 PRO HB2 H 2.39 0.02 2 96 . 10 PRO HB3 H 2.22 0.02 2 97 . 10 PRO HG2 H 1.95 0.02 1 98 . 10 PRO HG3 H 1.95 0.02 1 99 . 10 PRO HD2 H 3.69 0.02 1 100 . 10 PRO HD3 H 3.69 0.02 1 101 . 10 PRO C C 179.8 0.1 1 102 . 10 PRO CA C 67.1 0.1 1 103 . 10 PRO CB C 31.4 0.1 1 104 . 10 PRO CG C 29.1 0.1 1 105 . 10 PRO CD C 50.4 0.1 1 106 . 11 GLN H H 7.55 0.02 1 107 . 11 GLN HA H 4.06 0.02 1 108 . 11 GLN HB2 H 2.32 0.02 2 109 . 11 GLN HB3 H 2.20 0.02 2 110 . 11 GLN HG2 H 2.59 0.02 1 111 . 11 GLN HG3 H 2.59 0.02 1 112 . 11 GLN HE21 H 6.98 0.02 2 113 . 11 GLN HE22 H 7.77 0.02 2 114 . 11 GLN C C 177.3 0.1 1 115 . 11 GLN CA C 59.1 0.1 1 116 . 11 GLN CB C 28.7 0.1 1 117 . 11 GLN CG C 35.2 0.1 1 118 . 11 GLN CD C 181.0 0.1 1 119 . 11 GLN N N 118.1 0.1 1 120 . 11 GLN NE2 N 113.7 0.1 1 121 . 12 LEU H H 8.14 0.02 1 122 . 12 LEU HA H 3.87 0.02 1 123 . 12 LEU HB2 H 1.86 0.02 2 124 . 12 LEU HB3 H 1.49 0.02 2 125 . 12 LEU HG H 1.75 0.02 1 126 . 12 LEU HD1 H 1.01 0.02 2 127 . 12 LEU HD2 H 0.91 0.02 2 128 . 12 LEU C C 178.3 0.1 1 129 . 12 LEU CA C 58.9 0.1 1 130 . 12 LEU CB C 41.9 0.1 1 131 . 12 LEU CG C 27.7 0.1 1 132 . 12 LEU CD1 C 26.9 0.1 2 133 . 12 LEU CD2 C 25.5 0.1 2 134 . 12 LEU N N 121.4 0.1 1 135 . 13 ARG H H 8.69 0.02 1 136 . 13 ARG HA H 3.68 0.02 1 137 . 13 ARG HB2 H 1.98 0.02 2 138 . 13 ARG HB3 H 1.82 0.02 2 139 . 13 ARG HG2 H 1.58 0.02 1 140 . 13 ARG HG3 H 1.58 0.02 1 141 . 13 ARG HD2 H 3.24 0.02 1 142 . 13 ARG HD3 H 3.24 0.02 1 143 . 13 ARG HE H 7.14 0.02 1 144 . 13 ARG C C 177.6 0.1 1 145 . 13 ARG CA C 61.3 0.1 1 146 . 13 ARG CB C 30.7 0.1 1 147 . 13 ARG CG C 28.8 0.1 1 148 . 13 ARG CD C 44.4 0.1 1 149 . 13 ARG N N 117.5 0.1 1 150 . 14 LYS H H 7.31 0.02 1 151 . 14 LYS HA H 4.02 0.02 1 152 . 14 LYS HB2 H 2.08 0.02 2 153 . 14 LYS HB3 H 1.81 0.02 2 154 . 14 LYS HG2 H 1.55 0.02 1 155 . 14 LYS HG3 H 1.55 0.02 1 156 . 14 LYS HD2 H 1.67 0.02 1 157 . 14 LYS HD3 H 1.67 0.02 1 158 . 14 LYS HE2 H 3.09 0.02 1 159 . 14 LYS HE3 H 3.09 0.02 1 160 . 14 LYS C C 179.0 0.1 1 161 . 14 LYS CA C 60.4 0.1 1 162 . 14 LYS CB C 32.8 0.1 1 163 . 14 LYS CG C 25.4 0.1 1 164 . 14 LYS CD C 30.0 0.1 1 165 . 14 LYS CE C 42.6 0.1 1 166 . 14 LYS N N 118.7 0.1 1 167 . 15 ASP H H 8.50 0.02 1 168 . 15 ASP HA H 4.51 0.02 1 169 . 15 ASP HB2 H 3.08 0.02 2 170 . 15 ASP HB3 H 2.86 0.02 2 171 . 15 ASP C C 180.0 0.1 1 172 . 15 ASP CA C 57.8 0.1 1 173 . 15 ASP CB C 42.0 0.1 1 174 . 15 ASP N N 121.0 0.1 1 175 . 16 ILE H H 8.72 0.02 1 176 . 16 ILE HA H 3.80 0.02 1 177 . 16 ILE HB H 2.09 0.02 1 178 . 16 ILE HG12 H 1.89 0.02 2 179 . 16 ILE HG13 H 1.23 0.02 2 180 . 16 ILE HG2 H 0.89 0.02 1 181 . 16 ILE HD1 H 0.81 0.02 1 182 . 16 ILE C C 177.6 0.1 1 183 . 16 ILE CA C 65.3 0.1 1 184 . 16 ILE CB C 37.5 0.1 1 185 . 16 ILE CG1 C 30.0 0.1 1 186 . 16 ILE CG2 C 18.3 0.1 1 187 . 16 ILE CD1 C 13.6 0.1 1 188 . 16 ILE N N 120.5 0.1 1 189 . 17 LEU H H 8.16 0.02 1 190 . 17 LEU HA H 4.04 0.02 1 191 . 17 LEU HB2 H 2.00 0.02 2 192 . 17 LEU HB3 H 1.80 0.02 2 193 . 17 LEU HG H 1.88 0.02 1 194 . 17 LEU HD1 H 0.97 0.02 1 195 . 17 LEU HD2 H 0.97 0.02 1 196 . 17 LEU C C 178.8 0.1 1 197 . 17 LEU CA C 59.1 0.1 1 198 . 17 LEU CB C 41.6 0.1 1 199 . 17 LEU CG C 27.9 0.1 1 200 . 17 LEU CD1 C 25.5 0.1 2 201 . 17 LEU CD2 C 24.9 0.1 2 202 . 17 LEU N N 121.0 0.1 1 203 . 18 GLU H H 7.96 0.02 1 204 . 18 GLU HA H 4.04 0.02 1 205 . 18 GLU HB2 H 2.32 0.02 1 206 . 18 GLU HB3 H 2.32 0.02 1 207 . 18 GLU HG2 H 2.56 0.02 1 208 . 18 GLU HG3 H 2.56 0.02 1 209 . 18 GLU C C 179.4 0.1 1 210 . 18 GLU CA C 60.2 0.1 1 211 . 18 GLU CB C 30.0 0.1 1 212 . 18 GLU CG C 37.0 0.1 1 213 . 18 GLU N N 117.9 0.1 1 214 . 19 VAL H H 7.63 0.02 1 215 . 19 VAL HA H 3.92 0.02 1 216 . 19 VAL HB H 2.45 0.02 1 217 . 19 VAL HG1 H 1.23 0.02 1 218 . 19 VAL HG2 H 1.23 0.02 1 219 . 19 VAL C C 178.4 0.1 1 220 . 19 VAL CA C 66.6 0.1 1 221 . 19 VAL CB C 32.0 0.1 1 222 . 19 VAL CG1 C 23.8 0.1 2 223 . 19 VAL CG2 C 23.7 0.1 2 224 . 19 VAL N N 117.7 0.1 1 225 . 20 ILE H H 8.39 0.02 1 226 . 20 ILE HA H 3.73 0.02 1 227 . 20 ILE HB H 2.06 0.02 1 228 . 20 ILE HG12 H 2.03 0.02 2 229 . 20 ILE HG13 H 1.16 0.02 2 230 . 20 ILE HG2 H 0.98 0.02 1 231 . 20 ILE HD1 H 0.90 0.02 1 232 . 20 ILE C C 178.6 0.1 1 233 . 20 ILE CA C 66.6 0.1 1 234 . 20 ILE CB C 38.5 0.1 1 235 . 20 ILE CG1 C 30.1 0.1 1 236 . 20 ILE CG2 C 18.6 0.1 1 237 . 20 ILE CD1 C 15.6 0.1 1 238 . 20 ILE N N 119.5 0.1 1 239 . 21 CYS H H 8.03 0.02 1 240 . 21 CYS HA H 4.90 0.02 1 241 . 21 CYS HB2 H 3.11 0.02 1 242 . 21 CYS HB3 H 3.11 0.02 1 243 . 21 CYS C C 175.6 0.1 1 244 . 21 CYS CA C 62.4 0.1 1 245 . 21 CYS CB C 27.7 0.1 1 246 . 21 CYS N N 114.4 0.1 1 247 . 22 LYS H H 7.46 0.02 1 248 . 22 LYS HA H 3.97 0.02 1 249 . 22 LYS HB2 H 1.66 0.02 1 250 . 22 LYS HB3 H 1.66 0.02 1 251 . 22 LYS HG2 H 1.13 0.02 1 252 . 22 LYS HG3 H 1.13 0.02 1 253 . 22 LYS HD2 H 1.48 0.02 1 254 . 22 LYS HD3 H 1.48 0.02 1 255 . 22 LYS HE2 H 2.88 0.02 1 256 . 22 LYS HE3 H 2.88 0.02 1 257 . 22 LYS C C 177.3 0.1 1 258 . 22 LYS CA C 59.1 0.1 1 259 . 22 LYS CB C 32.3 0.1 1 260 . 22 LYS CG C 25.3 0.1 1 261 . 22 LYS CD C 29.8 0.1 1 262 . 22 LYS CE C 42.5 0.1 1 263 . 22 LYS N N 119.5 0.1 1 264 . 23 TYR H H 7.89 0.02 1 265 . 23 TYR HA H 4.23 0.02 1 266 . 23 TYR HB2 H 2.59 0.02 2 267 . 23 TYR HB3 H 2.37 0.02 2 268 . 23 TYR HD1 H 7.25 0.02 1 269 . 23 TYR HD2 H 7.25 0.02 1 270 . 23 TYR HE1 H 6.94 0.02 1 271 . 23 TYR HE2 H 6.94 0.02 1 272 . 23 TYR C C 175.5 0.1 1 273 . 23 TYR CA C 60.1 0.1 1 274 . 23 TYR CB C 41.0 0.1 1 275 . 23 TYR N N 116.2 0.1 1 276 . 24 VAL H H 8.12 0.02 1 277 . 24 VAL HA H 4.29 0.02 1 278 . 24 VAL HB H 1.90 0.02 1 279 . 24 VAL HG1 H 0.84 0.02 1 280 . 24 VAL HG2 H 0.84 0.02 1 281 . 24 VAL C C 173.1 0.1 1 282 . 24 VAL CA C 60.6 0.1 1 283 . 24 VAL CB C 34.8 0.1 1 284 . 24 VAL CG1 C 21.1 0.1 1 285 . 24 VAL CG2 C 21.1 0.1 1 286 . 24 VAL N N 116.6 0.1 1 287 . 25 GLN H H 8.23 0.02 1 288 . 25 GLN HA H 4.43 0.02 1 289 . 25 GLN HB2 H 2.09 0.02 1 290 . 25 GLN HB3 H 2.09 0.02 1 291 . 25 GLN HG2 H 2.39 0.02 1 292 . 25 GLN HG3 H 2.39 0.02 1 293 . 25 GLN HE21 H 6.84 0.02 2 294 . 25 GLN HE22 H 7.54 0.02 2 295 . 25 GLN C C 175.3 0.1 1 296 . 25 GLN CA C 56.4 0.1 1 297 . 25 GLN CB C 28.2 0.1 1 298 . 25 GLN CG C 34.4 0.1 1 299 . 25 GLN CD C 180.7 0.1 1 300 . 25 GLN N N 123.6 0.1 1 301 . 25 GLN NE2 N 113.0 0.1 1 302 . 26 ILE H H 7.50 0.02 1 303 . 26 ILE HA H 4.65 0.02 1 304 . 26 ILE HB H 1.92 0.02 1 305 . 26 ILE HG12 H 1.36 0.02 2 306 . 26 ILE HG13 H 1.15 0.02 2 307 . 26 ILE HG2 H 0.94 0.02 1 308 . 26 ILE HD1 H 0.84 0.02 1 309 . 26 ILE C C 174.3 0.1 1 310 . 26 ILE CA C 59.5 0.1 1 311 . 26 ILE CB C 42.4 0.1 1 312 . 26 ILE CG1 C 27.0 0.1 1 313 . 26 ILE CG2 C 19.5 0.1 1 314 . 26 ILE CD1 C 15.7 0.1 1 315 . 26 ILE N N 119.9 0.1 1 316 . 27 ASP H H 8.20 0.02 1 317 . 27 ASP HA H 5.05 0.02 1 318 . 27 ASP HB2 H 2.92 0.02 2 319 . 27 ASP HB3 H 2.59 0.02 2 320 . 27 ASP CA C 52.0 0.1 1 321 . 27 ASP N N 123.8 0.1 1 322 . 28 PRO HA H 4.21 0.02 1 323 . 28 PRO HB2 H 2.40 0.02 1 324 . 28 PRO HB3 H 2.40 0.02 1 325 . 28 PRO HG2 H 2.22 0.02 2 326 . 28 PRO HG3 H 2.11 0.02 2 327 . 28 PRO HD2 H 4.04 0.02 1 328 . 28 PRO HD3 H 4.04 0.02 1 329 . 28 PRO C C 178.2 0.1 1 330 . 28 PRO CA C 65.7 0.1 1 331 . 28 PRO CB C 32.7 0.1 1 332 . 28 PRO CG C 28.0 0.1 1 333 . 28 PRO CD C 51.5 0.1 1 334 . 29 GLU H H 8.68 0.02 1 335 . 29 GLU HA H 4.29 0.02 1 336 . 29 GLU HB2 H 2.19 0.02 2 337 . 29 GLU HB3 H 2.08 0.02 2 338 . 29 GLU HG2 H 2.42 0.02 1 339 . 29 GLU HG3 H 2.42 0.02 1 340 . 29 GLU C C 177.8 0.1 1 341 . 29 GLU CA C 58.5 0.1 1 342 . 29 GLU CB C 29.3 0.1 1 343 . 29 GLU CG C 37.1 0.1 1 344 . 30 MET H H 8.17 0.02 1 345 . 30 MET HA H 4.61 0.02 1 346 . 30 MET HB2 H 2.60 0.02 2 347 . 30 MET HB3 H 2.40 0.02 2 348 . 30 MET HG2 H 2.87 0.02 2 349 . 30 MET HG3 H 2.72 0.02 2 350 . 30 MET C C 175.1 0.1 1 351 . 30 MET CA C 55.8 0.1 1 352 . 30 MET CB C 32.8 0.1 1 353 . 30 MET CG C 33.8 0.1 1 354 . 30 MET N N 115.4 0.1 1 355 . 31 VAL H H 7.39 0.02 1 356 . 31 VAL HA H 4.82 0.02 1 357 . 31 VAL HB H 2.18 0.02 1 358 . 31 VAL HG1 H 1.02 0.02 2 359 . 31 VAL HG2 H 0.91 0.02 2 360 . 31 VAL C C 175.6 0.1 1 361 . 31 VAL CA C 61.8 0.1 1 362 . 31 VAL CB C 34.0 0.1 1 363 . 31 VAL CG1 C 23.1 0.1 2 364 . 31 VAL CG2 C 21.7 0.1 2 365 . 31 VAL N N 120.3 0.1 1 366 . 32 THR H H 8.98 0.02 1 367 . 32 THR HA H 4.78 0.02 1 368 . 32 THR HB H 4.21 0.02 1 369 . 32 THR HG2 H 1.25 0.02 1 370 . 32 THR C C 173.3 0.1 1 371 . 32 THR CA C 61.4 0.1 1 372 . 32 THR CB C 71.4 0.1 1 373 . 32 THR CG2 C 28.0 0.1 1 374 . 32 THR N N 121.6 0.1 1 375 . 33 VAL H H 8.69 0.02 1 376 . 33 VAL HA H 5.08 0.02 1 377 . 33 VAL HB H 1.98 0.02 1 378 . 33 VAL HG1 H 0.87 0.02 1 379 . 33 VAL HG2 H 0.87 0.02 1 380 . 33 VAL C C 174.7 0.1 1 381 . 33 VAL CA C 61.3 0.1 1 382 . 33 VAL CB C 34.8 0.1 1 383 . 33 VAL CG1 C 22.0 0.1 1 384 . 33 VAL CG2 C 22.0 0.1 1 385 . 33 VAL N N 124.0 0.1 1 386 . 34 GLN H H 9.05 0.02 1 387 . 34 GLN HA H 4.80 0.02 1 388 . 34 GLN HB2 H 2.16 0.02 2 389 . 34 GLN HB3 H 2.03 0.02 2 390 . 34 GLN HG2 H 2.31 0.02 1 391 . 34 GLN HG3 H 2.31 0.02 1 392 . 34 GLN HE21 H 6.74 0.02 2 393 . 34 GLN HE22 H 7.45 0.02 2 394 . 34 GLN C C 172.9 0.1 1 395 . 34 GLN CA C 54.9 0.1 1 396 . 34 GLN CB C 33.2 0.1 1 397 . 34 GLN CG C 33.6 0.1 1 398 . 34 GLN CD C 180.3 0.1 1 399 . 34 GLN N N 125.1 0.1 1 400 . 34 GLN NE2 N 111.4 0.1 1 401 . 35 LEU H H 8.74 0.02 1 402 . 35 LEU HA H 5.37 0.02 1 403 . 35 LEU HB2 H 1.80 0.02 2 404 . 35 LEU HB3 H 1.39 0.02 2 405 . 35 LEU HG H 1.53 0.02 1 406 . 35 LEU HD1 H 0.93 0.02 1 407 . 35 LEU HD2 H 0.93 0.02 1 408 . 35 LEU C C 176.1 0.1 1 409 . 35 LEU CA C 54.2 0.1 1 410 . 35 LEU CB C 44.5 0.1 1 411 . 35 LEU CG C 28.2 0.1 1 412 . 35 LEU CD1 C 26.0 0.1 2 413 . 35 LEU CD2 C 25.3 0.1 2 414 . 35 LEU N N 124.9 0.1 1 415 . 36 GLU H H 9.15 0.02 1 416 . 36 GLU HA H 4.74 0.02 1 417 . 36 GLU HB2 H 2.04 0.02 2 418 . 36 GLU HB3 H 1.91 0.02 2 419 . 36 GLU HG2 H 2.29 0.02 2 420 . 36 GLU HG3 H 2.16 0.02 2 421 . 36 GLU C C 175.0 0.1 1 422 . 36 GLU CA C 55.3 0.1 1 423 . 36 GLU CB C 32.9 0.1 1 424 . 36 GLU CG C 36.0 0.1 1 425 . 36 GLU N N 126.3 0.1 1 426 . 37 GLN H H 8.75 0.02 1 427 . 37 GLN HA H 4.98 0.02 1 428 . 37 GLN HB2 H 2.02 0.02 1 429 . 37 GLN HB3 H 2.02 0.02 1 430 . 37 GLN HG2 H 2.34 0.02 1 431 . 37 GLN HG3 H 2.34 0.02 1 432 . 37 GLN HE21 H 6.79 0.02 2 433 . 37 GLN HE22 H 7.51 0.02 2 434 . 37 GLN C C 175.8 0.1 1 435 . 37 GLN CA C 55.9 0.1 1 436 . 37 GLN CB C 30.6 0.1 1 437 . 37 GLN CG C 34.5 0.1 1 438 . 37 GLN CD C 180.5 0.1 1 439 . 37 GLN N N 124.2 0.1 1 440 . 37 GLN NE2 N 117.7 0.1 1 441 . 38 LYS H H 8.79 0.02 1 442 . 38 LYS HA H 4.66 0.02 1 443 . 38 LYS HB2 H 1.96 0.02 1 444 . 38 LYS HB3 H 1.96 0.02 1 445 . 38 LYS HG2 H 1.44 0.02 1 446 . 38 LYS HG3 H 1.44 0.02 1 447 . 38 LYS HD2 H 1.71 0.02 1 448 . 38 LYS HD3 H 1.71 0.02 1 449 . 38 LYS HE2 H 2.97 0.02 1 450 . 38 LYS HE3 H 2.97 0.02 1 451 . 38 LYS C C 175.8 0.1 1 452 . 38 LYS CA C 55.3 0.1 1 453 . 38 LYS CB C 34.8 0.1 1 454 . 38 LYS CG C 25.2 0.1 1 455 . 38 LYS CD C 29.2 0.1 1 456 . 38 LYS CE C 42.5 0.1 1 457 . 38 LYS N N 124.7 0.1 1 458 . 39 ASP H H 8.34 0.02 1 459 . 39 ASP HA H 4.53 0.02 1 460 . 39 ASP HB2 H 2.73 0.02 1 461 . 39 ASP HB3 H 2.73 0.02 1 462 . 39 ASP C C 176.3 0.1 1 463 . 39 ASP CA C 55.8 0.1 1 464 . 39 ASP CB C 41.4 0.1 1 465 . 39 ASP N N 120.1 0.1 1 466 . 40 GLY H H 8.55 0.02 1 467 . 40 GLY HA2 H 4.11 0.02 2 468 . 40 GLY HA3 H 3.77 0.02 2 469 . 40 GLY C C 174.6 0.1 1 470 . 40 GLY CA C 46.4 0.1 1 471 . 40 GLY N N 109.0 0.1 1 472 . 41 ASP H H 8.43 0.02 1 473 . 41 ASP HA H 4.63 0.02 1 474 . 41 ASP HB2 H 2.92 0.02 2 475 . 41 ASP HB3 H 2.85 0.02 2 476 . 41 ASP C C 175.1 0.1 1 477 . 41 ASP CA C 55.3 0.1 1 478 . 41 ASP CB C 40.7 0.1 1 479 . 41 ASP N N 118.1 0.1 1 480 . 42 ILE H H 7.44 0.02 1 481 . 42 ILE HA H 4.50 0.02 1 482 . 42 ILE HB H 1.81 0.02 1 483 . 42 ILE HG12 H 1.53 0.02 2 484 . 42 ILE HG13 H 1.22 0.02 2 485 . 42 ILE HG2 H 0.93 0.02 1 486 . 42 ILE HD1 H 0.93 0.02 1 487 . 42 ILE C C 175.5 0.1 1 488 . 42 ILE CA C 60.8 0.1 1 489 . 42 ILE CB C 40.5 0.1 1 490 . 42 ILE CG1 C 27.5 0.1 1 491 . 42 ILE CG2 C 18.6 0.1 1 492 . 42 ILE CD1 C 13.3 0.1 1 493 . 42 ILE N N 118.5 0.1 1 494 . 43 SER H H 8.76 0.02 1 495 . 43 SER HA H 5.25 0.02 1 496 . 43 SER HB2 H 3.78 0.02 1 497 . 43 SER HB3 H 3.78 0.02 1 498 . 43 SER C C 172.2 0.1 1 499 . 43 SER CA C 58.3 0.1 1 500 . 43 SER CB C 66.1 0.1 1 501 . 43 SER N N 122.0 0.1 1 502 . 44 ILE H H 8.97 0.02 1 503 . 44 ILE HA H 4.94 0.02 1 504 . 44 ILE HB H 1.86 0.02 1 505 . 44 ILE HG12 H 1.48 0.02 2 506 . 44 ILE HG13 H 1.20 0.02 2 507 . 44 ILE HG2 H 0.85 0.02 4 508 . 44 ILE HD1 H 0.84 0.02 4 509 . 44 ILE C C 175.4 0.1 1 510 . 44 ILE CA C 59.9 0.1 1 511 . 44 ILE CB C 41.3 0.1 1 512 . 44 ILE CG1 C 28.0 0.1 1 513 . 44 ILE CG2 C 18.4 0.1 1 514 . 44 ILE CD1 C 14.0 0.1 1 515 . 44 ILE N N 122.6 0.1 1 516 . 45 LEU H H 9.23 0.02 1 517 . 45 LEU HA H 4.93 0.02 1 518 . 45 LEU HB2 H 1.96 0.02 2 519 . 45 LEU HB3 H 1.42 0.02 2 520 . 45 LEU HG H 1.53 0.02 1 521 . 45 LEU HD1 H 0.86 0.02 1 522 . 45 LEU HD2 H 0.86 0.02 1 523 . 45 LEU C C 174.5 0.1 1 524 . 45 LEU CA C 54.8 0.1 1 525 . 45 LEU CB C 44.4 0.1 1 526 . 45 LEU CG C 27.9 0.1 1 527 . 45 LEU CD1 C 26.0 0.1 2 528 . 45 LEU CD2 C 25.0 0.1 2 529 . 45 LEU N N 129.3 0.1 1 530 . 46 GLU H H 9.21 0.02 1 531 . 46 GLU HA H 5.28 0.02 1 532 . 46 GLU HB2 H 2.01 0.02 1 533 . 46 GLU HB3 H 2.01 0.02 1 534 . 46 GLU HG2 H 2.35 0.02 1 535 . 46 GLU HG3 H 2.35 0.02 1 536 . 46 GLU C C 174.9 0.1 1 537 . 46 GLU CA C 54.8 0.1 1 538 . 46 GLU CB C 31.3 0.1 1 539 . 46 GLU CG C 34.4 0.1 1 540 . 46 GLU N N 126.9 0.1 1 541 . 47 LEU H H 9.13 0.02 1 542 . 47 LEU HA H 5.52 0.02 1 543 . 47 LEU HB2 H 1.77 0.02 2 544 . 47 LEU HB3 H 1.57 0.02 2 545 . 47 LEU HG H 1.75 0.02 1 546 . 47 LEU HD1 H 0.89 0.02 1 547 . 47 LEU HD2 H 0.89 0.02 1 548 . 47 LEU C C 174.9 0.1 1 549 . 47 LEU CA C 54.4 0.1 1 550 . 47 LEU CB C 45.5 0.1 1 551 . 47 LEU CG C 28.7 0.1 1 552 . 47 LEU CD1 C 27.1 0.1 2 553 . 47 LEU CD2 C 26.4 0.1 2 554 . 47 LEU N N 127.1 0.1 1 555 . 48 ASN H H 8.96 0.02 1 556 . 48 ASN HA H 5.82 0.02 1 557 . 48 ASN HB2 H 2.77 0.02 2 558 . 48 ASN HB3 H 2.60 0.02 2 559 . 48 ASN HD21 H 6.76 0.02 2 560 . 48 ASN HD22 H 7.24 0.02 2 561 . 48 ASN C C 174.1 0.1 1 562 . 48 ASN CA C 52.7 0.1 1 563 . 48 ASN CB C 42.3 0.1 1 564 . 48 ASN CG C 176.2 0.1 1 565 . 48 ASN N N 123.4 0.1 1 566 . 48 ASN ND2 N 111.5 0.1 1 567 . 49 VAL H H 9.25 0.02 1 568 . 49 VAL HA H 4.83 0.02 1 569 . 49 VAL HB H 2.25 0.02 1 570 . 49 VAL HG1 H 0.96 0.02 1 571 . 49 VAL HG2 H 0.96 0.02 1 572 . 49 VAL C C 174.4 0.1 1 573 . 49 VAL CA C 61.0 0.1 1 574 . 49 VAL CB C 35.2 0.1 1 575 . 49 VAL CG1 C 21.6 0.1 1 576 . 49 VAL CG2 C 21.6 0.1 1 577 . 49 VAL N N 123.2 0.1 1 578 . 50 THR H H 8.44 0.02 1 579 . 50 THR HA H 4.57 0.02 1 580 . 50 THR HB H 4.24 0.02 1 581 . 50 THR HG2 H 1.27 0.02 1 582 . 50 THR C C 173.4 0.1 1 583 . 50 THR CA C 64.0 0.1 1 584 . 50 THR CB C 69.4 0.1 1 585 . 50 THR CG2 C 22.4 0.1 1 586 . 50 THR N N 125.7 0.1 1 587 . 51 LEU H H 8.77 0.02 1 588 . 51 LEU HA H 4.72 0.02 1 589 . 51 LEU HB2 H 1.80 0.02 2 590 . 51 LEU HB3 H 1.49 0.02 2 591 . 51 LEU HG H 1.69 0.02 1 592 . 51 LEU HD1 H 0.88 0.02 1 593 . 51 LEU HD2 H 0.88 0.02 1 594 . 51 LEU CA C 52.6 0.1 1 595 . 51 LEU CB C 41.5 0.1 1 596 . 51 LEU CG C 27.1 0.1 1 597 . 51 LEU N N 127.8 0.1 1 598 . 52 PRO HA H 4.70 0.02 1 599 . 52 PRO HB2 H 2.41 0.02 1 600 . 52 PRO HB3 H 2.41 0.02 1 601 . 52 PRO HG2 H 2.09 0.02 1 602 . 52 PRO HG3 H 2.09 0.02 1 603 . 52 PRO HD2 H 3.91 0.02 2 604 . 52 PRO HD3 H 3.67 0.02 2 605 . 52 PRO C C 176.8 0.1 1 606 . 52 PRO CA C 62.9 0.1 1 607 . 52 PRO CB C 32.8 0.1 1 608 . 52 PRO CG C 27.6 0.1 1 609 . 52 PRO CD C 51.0 0.1 1 610 . 53 GLU H H 8.46 0.02 1 611 . 53 GLU HA H 4.35 0.02 1 612 . 53 GLU HB2 H 2.09 0.02 2 613 . 53 GLU HB3 H 2.01 0.02 2 614 . 53 GLU HG2 H 2.42 0.02 1 615 . 53 GLU HG3 H 2.42 0.02 1 616 . 53 GLU C C 176.3 0.1 1 617 . 53 GLU CA C 57.0 0.1 1 618 . 53 GLU CB C 30.6 0.1 1 619 . 53 GLU CG C 36.0 0.1 1 620 . 53 GLU N N 121.6 0.1 1 621 . 54 ALA H H 8.43 0.02 1 622 . 54 ALA HA H 4.44 0.02 1 623 . 54 ALA HB H 1.50 0.02 1 624 . 54 ALA C C 177.7 0.1 1 625 . 54 ALA CA C 53.0 0.1 1 626 . 54 ALA CB C 20.0 0.1 1 627 . 54 ALA N N 125.9 0.1 1 628 . 55 GLU H H 8.46 0.02 1 629 . 55 GLU HA H 4.36 0.02 1 630 . 55 GLU HB2 H 2.13 0.02 2 631 . 55 GLU HB3 H 2.05 0.02 2 632 . 55 GLU HG2 H 2.38 0.02 1 633 . 55 GLU HG3 H 2.38 0.02 1 634 . 55 GLU C C 176.6 0.1 1 635 . 55 GLU CA C 57.1 0.1 1 636 . 55 GLU CB C 30.9 0.1 1 637 . 55 GLU CG C 36.5 0.1 1 638 . 55 GLU N N 121.0 0.1 1 639 . 56 GLU H H 8.56 0.02 1 640 . 56 GLU HA H 4.39 0.02 1 641 . 56 GLU HB2 H 2.10 0.02 2 642 . 56 GLU HB3 H 2.03 0.02 2 643 . 56 GLU HG2 H 2.36 0.02 1 644 . 56 GLU HG3 H 2.36 0.02 1 645 . 56 GLU C C 176.2 0.1 1 646 . 56 GLU CA C 56.9 0.1 1 647 . 56 GLU CB C 30.8 0.1 1 648 . 56 GLU CG C 36.6 0.1 1 649 . 56 GLU N N 122.0 0.1 1 650 . 57 LEU H H 8.29 0.02 1 651 . 57 LEU HA H 4.45 0.02 1 652 . 57 LEU HB2 H 1.69 0.02 1 653 . 57 LEU HB3 H 1.69 0.02 1 654 . 57 LEU HG H 1.69 0.02 1 655 . 57 LEU HD1 H 0.97 0.02 1 656 . 57 LEU HD2 H 0.97 0.02 1 657 . 57 LEU C C 176.3 0.1 1 658 . 57 LEU CA C 55.5 0.1 1 659 . 57 LEU CB C 42.5 0.1 1 660 . 57 LEU CG C 27.4 0.1 1 661 . 57 LEU CD1 C 25.5 0.1 2 662 . 57 LEU CD2 C 23.8 0.1 2 663 . 57 LEU N N 124.2 0.1 1 664 . 58 LYS H H 7.88 0.02 1 665 . 58 LYS HA H 4.23 0.02 1 666 . 58 LYS HB2 H 1.88 0.02 2 667 . 58 LYS HB3 H 1.75 0.02 2 668 . 58 LYS HG2 H 1.44 0.02 1 669 . 58 LYS HG3 H 1.44 0.02 1 670 . 58 LYS HD2 H 1.73 0.02 1 671 . 58 LYS HD3 H 1.73 0.02 1 672 . 58 LYS HE2 H 3.00 0.02 1 673 . 58 LYS HE3 H 3.00 0.02 1 674 . 58 LYS CA C 57.6 0.1 1 675 . 58 LYS CB C 34.0 0.1 1 676 . 58 LYS N N 127.7 0.1 1 stop_ save_