data_6011 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of a homodimeric hypothetical protein, At5g22580, a structural genomics target from Arabidopsis Thaliana ; _BMRB_accession_number 6011 _BMRB_flat_file_name bmr6011.str _Entry_type original _Submission_date 2003-11-19 _Accession_date 2003-11-20 _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 Cornilescu Gabriel . . 2 Cornilescu Claudia C. . 3 Zhao Qin . . 4 Frederick Ronnie O. . 5 Peterson Francis C. . 6 Thao Sandy . . 7 Markley John L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 558 "13C chemical shifts" 437 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-07-09 update BMRB 'added time domain data' 2004-06-25 update BMRB 'updated citation' 2003-12-19 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: Solution structure of a homodimeric hypothetical protein, At5g22580, a structural genomics target from Arabidopsis Thaliana ; _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 Cornilescu Gabriel . . 2 Cornilescu Claudia C. . 3 Zhao Qin . . 4 Frederick Ronnie O. . 5 Peterson Francis C. . 6 Thao Sandy . . 7 Markley John L. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 29 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 387 _Page_last 390 _Year 2004 _Details . loop_ _Keyword At5g22580 CESG 'Center for Eukaryotic Structural Genomics' homodimer 'residual dipolar couplings' stop_ save_ ################################## # Molecular system description # ################################## save_system_At5g22580 _Saveframe_category molecular_system _Mol_system_name At5g22580 _Abbreviation_common At5g22580 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'At5g22580 subunit 1' $At5g22580 'At5g22580 subunit 2' $At5g22580 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state homodimer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'At5g22580 subunit 1' 1 'At5g22580 subunit 2' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_At5g22580 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common At5g22580 _Abbreviation_common At5g22580 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 111 _Mol_residue_sequence ; MATSGFKHLVVVKFKEDTKV DEILKGLENLVSQIDTVKSF EWGEDKESHDMLRQGFTHAF SMTFENKDGYVAFTSHPLHV EFSAAFTAVIDKIVLLDFPV AAVKSSVVATP ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 THR 4 SER 5 GLY 6 PHE 7 LYS 8 HIS 9 LEU 10 VAL 11 VAL 12 VAL 13 LYS 14 PHE 15 LYS 16 GLU 17 ASP 18 THR 19 LYS 20 VAL 21 ASP 22 GLU 23 ILE 24 LEU 25 LYS 26 GLY 27 LEU 28 GLU 29 ASN 30 LEU 31 VAL 32 SER 33 GLN 34 ILE 35 ASP 36 THR 37 VAL 38 LYS 39 SER 40 PHE 41 GLU 42 TRP 43 GLY 44 GLU 45 ASP 46 LYS 47 GLU 48 SER 49 HIS 50 ASP 51 MET 52 LEU 53 ARG 54 GLN 55 GLY 56 PHE 57 THR 58 HIS 59 ALA 60 PHE 61 SER 62 MET 63 THR 64 PHE 65 GLU 66 ASN 67 LYS 68 ASP 69 GLY 70 TYR 71 VAL 72 ALA 73 PHE 74 THR 75 SER 76 HIS 77 PRO 78 LEU 79 HIS 80 VAL 81 GLU 82 PHE 83 SER 84 ALA 85 ALA 86 PHE 87 THR 88 ALA 89 VAL 90 ILE 91 ASP 92 LYS 93 ILE 94 VAL 95 LEU 96 LEU 97 ASP 98 PHE 99 PRO 100 VAL 101 ALA 102 ALA 103 VAL 104 LYS 105 SER 106 SER 107 VAL 108 VAL 109 ALA 110 THR 111 PRO 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 1RJJ "Solution Structure Of A Homodimeric Hypothetical Protein, At5g22580, A Structural Genomics Target From Arabidopsis Thaliana" 100.00 111 100.00 100.00 1.20e-72 DBJ BAB09130 "unnamed protein product [Arabidopsis thaliana]" 100.00 111 100.00 100.00 1.20e-72 GB AAK55689 "AT5g22580/MQJ16_12 [Arabidopsis thaliana]" 100.00 111 100.00 100.00 1.20e-72 GB AAK91494 "AT5g22580/MQJ16_12 [Arabidopsis thaliana]" 100.00 111 100.00 100.00 1.20e-72 GB AED93045 "stress responsive A/B Barrel domain-containing protein [Arabidopsis thaliana]" 100.00 111 100.00 100.00 1.20e-72 GB EOA21835 "hypothetical protein CARUB_v10002301mg [Capsella rubella]" 96.40 109 97.20 99.07 7.58e-68 REF NP_568422 "stress responsive A/B Barrel domain-containing protein [Arabidopsis thaliana]" 100.00 111 100.00 100.00 1.20e-72 REF XP_006288937 "hypothetical protein CARUB_v10002301mg [Capsella rubella]" 96.40 109 97.20 99.07 7.58e-68 REF XP_010421054 "PREDICTED: uncharacterized protein At5g22580 [Camelina sativa]" 100.00 111 97.30 98.20 1.15e-70 REF XP_010454526 "PREDICTED: uncharacterized protein At5g22580 [Camelina sativa]" 100.00 111 97.30 98.20 1.15e-70 REF XP_010493352 "PREDICTED: uncharacterized protein At5g22580 [Camelina sativa]" 100.00 111 97.30 98.20 1.15e-70 SP Q9FK81 "RecName: Full=Uncharacterized protein At5g22580 [Arabidopsis thaliana]" 100.00 111 100.00 100.00 1.20e-72 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Plasmid $At5g22580 'Thale Cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana Rosetta(DE3)/pLysS pET15b stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $At5g22580 'recombinant technology' 'E. coli' Escherichia coli . plasmid pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_C_N_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $At5g22580 1.0 mM '[U-95% 13C; U-90% 15N]' NaPi 50 mM . NaN3 0.1 mM . H2O 93 % . D2O 7 % . stop_ save_ save_rdc _Saveframe_category sample _Sample_type b_bicell _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $At5g22580 0.3 mM '[U-95% 13C; U-90% 15N]' 'C12E5 polyethylene glycol/hexanol, 0.96/1.0' 5 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_HN-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name HN-HSQC _Sample_label . save_ save_IPAP-HSQC_(align)_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'IPAP-HSQC (align)' _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label . save_ save_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _Sample_label . save_ save_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _Sample_label . save_ save_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_3D-C13-NOE_10 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-C13-NOE _Sample_label . save_ save_3D-N15-NOE_11 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-N15-NOE _Sample_label . save_ save_diffusion_(H2O)_12 _Saveframe_category NMR_applied_experiment _Experiment_name 'diffusion (H2O)' _Sample_label . save_ save_N15-T2_13 _Saveframe_category NMR_applied_experiment _Experiment_name N15-T2 _Sample_label . save_ save_diffusion_(D2O)_14 _Saveframe_category NMR_applied_experiment _Experiment_name 'diffusion (D2O)' _Sample_label . save_ save_IPAP-HSQC_(iso)_15 _Saveframe_category NMR_applied_experiment _Experiment_name 'IPAP-HSQC (iso)' _Sample_label . save_ ####################### # Sample conditions # ####################### save_cond_LC _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 n/a temperature 308 1 K stop_ save_ save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_all _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $C_N_sample stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'At5g22580 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 MET CA C 55.3 . 1 2 . 1 MET HA H 4.50 . 1 3 . 1 MET CB C 33.3 . 1 4 . 1 MET HB2 H 2.02 . 2 5 . 1 MET HB3 H 1.99 . 2 6 . 1 MET CG C 31.9 . 1 7 . 1 MET HG2 H 2.52 . 2 8 . 1 MET HG3 H 2.48 . 2 9 . 1 MET C C 175.6 . 1 10 . 2 ALA N N 126.1 . 1 11 . 2 ALA H H 8.52 . 1 12 . 2 ALA CA C 52.4 . 1 13 . 2 ALA HA H 4.50 . 1 14 . 2 ALA HB H 1.43 . 1 15 . 2 ALA CB C 19.7 . 1 16 . 2 ALA C C 177.6 . 1 17 . 3 THR N N 113.6 . 1 18 . 3 THR H H 8.25 . 1 19 . 3 THR CA C 61.2 . 1 20 . 3 THR HA H 4.68 . 1 21 . 3 THR CB C 70.4 . 1 22 . 3 THR HB H 4.29 . 1 23 . 3 THR HG2 H 1.20 . 1 24 . 3 THR CG2 C 21.6 . 1 25 . 3 THR C C 174.8 . 1 26 . 4 SER N N 118.2 . 1 27 . 4 SER H H 8.65 . 1 28 . 4 SER CA C 57.8 . 1 29 . 4 SER HA H 4.65 . 1 30 . 4 SER CB C 64.1 . 1 31 . 4 SER HB2 H 3.83 . 1 32 . 4 SER HB3 H 3.83 . 1 33 . 4 SER C C 174.0 . 1 34 . 5 GLY N N 109.0 . 1 35 . 5 GLY H H 8.18 . 1 36 . 5 GLY CA C 44.7 . 1 37 . 5 GLY HA2 H 4.05 . 2 38 . 5 GLY HA3 H 4.19 . 2 39 . 5 GLY C C 172.6 . 1 40 . 6 PHE N N 123.5 . 1 41 . 6 PHE H H 8.51 . 1 42 . 6 PHE CA C 57.8 . 1 43 . 6 PHE HA H 4.70 . 1 44 . 6 PHE CB C 42.9 . 1 45 . 6 PHE HB2 H 2.56 . 2 46 . 6 PHE HB3 H 2.50 . 2 47 . 6 PHE C C 172.2 . 1 48 . 7 LYS N N 130.8 . 1 49 . 7 LYS H H 8.59 . 1 50 . 7 LYS CA C 54.3 . 1 51 . 7 LYS HA H 4.91 . 1 52 . 7 LYS CB C 35.1 . 1 53 . 7 LYS HB2 H 0.61 . 2 54 . 7 LYS HB3 H 0.64 . 2 55 . 7 LYS CG C 25.2 . 1 56 . 7 LYS HG2 H 0.89 . 2 57 . 7 LYS HG3 H 0.83 . 2 58 . 7 LYS CD C 29.4 . 1 59 . 7 LYS HD2 H 1.38 . 2 60 . 7 LYS HD3 H 1.33 . 2 61 . 7 LYS CE C 41.7 . 1 62 . 7 LYS HE2 H 2.65 . 2 63 . 7 LYS HE3 H 2.47 . 2 64 . 7 LYS C C 171.3 . 1 65 . 8 HIS N N 123.0 . 1 66 . 8 HIS H H 8.46 . 1 67 . 8 HIS CA C 53.1 . 1 68 . 8 HIS HA H 5.49 . 1 69 . 8 HIS CB C 32.6 . 1 70 . 8 HIS HB2 H 2.45 . 2 71 . 8 HIS HB3 H 3.17 . 2 72 . 8 HIS C C 172.0 . 1 73 . 9 LEU N N 131.1 . 1 74 . 9 LEU H H 9.23 . 1 75 . 9 LEU CA C 53.7 . 1 76 . 9 LEU HA H 4.80 . 1 77 . 9 LEU CB C 45.2 . 1 78 . 9 LEU HB2 H 2.09 . 2 79 . 9 LEU HB3 H 0.89 . 2 80 . 9 LEU CG C 27.8 . 1 81 . 9 LEU HG H 1.26 . 1 82 . 9 LEU HD1 H 0.70 . 2 83 . 9 LEU HD2 H 0.67 . 2 84 . 9 LEU CD1 C 23.2 . 1 85 . 9 LEU CD2 C 26.7 . 1 86 . 9 LEU C C 172.8 . 1 87 . 10 VAL N N 124.3 . 1 88 . 10 VAL H H 8.67 . 1 89 . 10 VAL CA C 60.3 . 1 90 . 10 VAL HA H 4.68 . 1 91 . 10 VAL CB C 34.2 . 1 92 . 10 VAL HB H 1.26 . 1 93 . 10 VAL HG1 H 0.47 . 2 94 . 10 VAL HG2 H 0.81 . 2 95 . 10 VAL CG1 C 20.9 . 1 96 . 10 VAL CG2 C 22.6 . 1 97 . 10 VAL C C 174.2 . 1 98 . 11 VAL N N 127.3 . 1 99 . 11 VAL H H 8.95 . 1 100 . 11 VAL CA C 60.9 . 1 101 . 11 VAL HA H 4.81 . 1 102 . 11 VAL CB C 33.6 . 1 103 . 11 VAL HB H 1.40 . 1 104 . 11 VAL HG1 H 0.32 . 2 105 . 11 VAL HG2 H 0.38 . 2 106 . 11 VAL CG1 C 21.4 . 1 107 . 11 VAL CG2 C 20.4 . 1 108 . 11 VAL C C 175.4 . 1 109 . 12 VAL N N 120.7 . 1 110 . 12 VAL H H 9.22 . 1 111 . 12 VAL CA C 60.5 . 1 112 . 12 VAL HA H 5.37 . 1 113 . 12 VAL CB C 37.9 . 1 114 . 12 VAL HB H 1.74 . 1 115 . 12 VAL HG1 H 0.52 . 2 116 . 12 VAL HG2 H 0.60 . 2 117 . 12 VAL CG1 C 21.6 . 1 118 . 12 VAL CG2 C 22.0 . 1 119 . 12 VAL C C 174.0 . 1 120 . 13 LYS N N 125.3 . 1 121 . 13 LYS H H 8.46 . 1 122 . 13 LYS CA C 55.7 . 1 123 . 13 LYS HA H 4.84 . 1 124 . 13 LYS CB C 37.8 . 1 125 . 13 LYS HB2 H 1.46 . 1 126 . 13 LYS HB3 H 1.46 . 1 127 . 13 LYS CG C 27.5 . 1 128 . 13 LYS HG2 H 1.52 . 1 129 . 13 LYS HG3 H 1.52 . 1 130 . 13 LYS CD C 29.0 . 1 131 . 13 LYS HD2 H 1.66 . 1 132 . 13 LYS HD3 H 1.66 . 1 133 . 13 LYS CE C 42.1 . 1 134 . 13 LYS HE2 H 2.96 . 1 135 . 13 LYS HE3 H 2.96 . 1 136 . 13 LYS C C 176.3 . 1 137 . 14 PHE N N 128.8 . 1 138 . 14 PHE H H 10.08 . 1 139 . 14 PHE CA C 59.4 . 1 140 . 14 PHE HA H 4.82 . 1 141 . 14 PHE CB C 40.1 . 1 142 . 14 PHE HB2 H 2.94 . 2 143 . 14 PHE HB3 H 3.28 . 2 144 . 14 PHE C C 176.1 . 1 145 . 15 LYS N N 119.3 . 1 146 . 15 LYS H H 8.44 . 1 147 . 15 LYS CA C 57.5 . 1 148 . 15 LYS HA H 4.20 . 1 149 . 15 LYS CB C 33.7 . 1 150 . 15 LYS HB2 H 1.63 . 1 151 . 15 LYS HB3 H 1.63 . 1 152 . 15 LYS CG C 26.4 . 1 153 . 15 LYS HG2 H 1.36 . 2 154 . 15 LYS HG3 H 1.09 . 2 155 . 15 LYS CE C 42.3 . 1 156 . 15 LYS HE2 H 2.96 . 1 157 . 15 LYS HE3 H 2.96 . 1 158 . 15 LYS C C 178.8 . 1 159 . 16 GLU N N 123.8 . 1 160 . 16 GLU H H 9.03 . 1 161 . 16 GLU CA C 58.9 . 1 162 . 16 GLU HA H 4.12 . 1 163 . 16 GLU CB C 29.9 . 1 164 . 16 GLU HB2 H 2.03 . 1 165 . 16 GLU HB3 H 2.03 . 1 166 . 16 GLU CG C 36.4 . 1 167 . 16 GLU HG2 H 2.37 . 1 168 . 16 GLU HG3 H 2.37 . 1 169 . 16 GLU C C 176.3 . 1 170 . 17 ASP N N 116.5 . 1 171 . 17 ASP H H 8.72 . 1 172 . 17 ASP CA C 54.8 . 1 173 . 17 ASP HA H 4.46 . 1 174 . 17 ASP CB C 39.5 . 1 175 . 17 ASP HB2 H 2.78 . 2 176 . 17 ASP HB3 H 2.83 . 2 177 . 17 ASP C C 175.9 . 1 178 . 18 THR N N 116.5 . 1 179 . 18 THR H H 7.53 . 1 180 . 18 THR CA C 64.3 . 1 181 . 18 THR HA H 3.92 . 1 182 . 18 THR CB C 69.5 . 1 183 . 18 THR HB H 3.89 . 1 184 . 18 THR HG2 H 0.82 . 1 185 . 18 THR CG2 C 21.5 . 1 186 . 18 THR C C 174.6 . 1 187 . 19 LYS N N 129.0 . 1 188 . 19 LYS H H 9.03 . 1 189 . 19 LYS CA C 54.8 . 1 190 . 19 LYS HA H 4.48 . 1 191 . 19 LYS CB C 29.6 . 1 192 . 19 LYS HB2 H 1.84 . 2 193 . 19 LYS HB3 H 1.79 . 2 194 . 19 LYS CG C 24.7 . 1 195 . 19 LYS HG2 H 1.50 . 2 196 . 19 LYS HG3 H 1.43 . 2 197 . 19 LYS HD2 H 1.68 . 1 198 . 19 LYS HD3 H 1.68 . 1 199 . 19 LYS CE C 42.3 . 1 200 . 19 LYS HE2 H 3.01 . 1 201 . 19 LYS HE3 H 3.01 . 1 202 . 19 LYS C C 176.2 . 1 203 . 20 VAL N N 126.1 . 1 204 . 20 VAL H H 7.95 . 1 205 . 20 VAL CA C 66.4 . 1 206 . 20 VAL HA H 2.85 . 1 207 . 20 VAL CB C 31.6 . 1 208 . 20 VAL HB H 1.81 . 1 209 . 20 VAL HG1 H 0.48 . 2 210 . 20 VAL HG2 H 0.51 . 2 211 . 20 VAL CG1 C 21.9 . 1 212 . 20 VAL CG2 C 22.4 . 1 213 . 20 VAL C C 176.8 . 1 214 . 21 ASP N N 117.7 . 1 215 . 21 ASP H H 8.73 . 1 216 . 21 ASP CA C 57.3 . 1 217 . 21 ASP HA H 4.15 . 1 218 . 21 ASP CB C 39.6 . 1 219 . 21 ASP HB2 H 2.64 . 2 220 . 21 ASP HB3 H 2.54 . 2 221 . 21 ASP C C 178.8 . 1 222 . 22 GLU N N 118.5 . 1 223 . 22 GLU H H 7.41 . 1 224 . 22 GLU CA C 59.0 . 1 225 . 22 GLU HA H 4.03 . 1 226 . 22 GLU CB C 29.9 . 1 227 . 22 GLU HB2 H 2.07 . 1 228 . 22 GLU HB3 H 2.07 . 1 229 . 22 GLU CG C 36.4 . 1 230 . 22 GLU HG2 H 2.22 . 1 231 . 22 GLU HG3 H 2.22 . 1 232 . 22 GLU C C 179.8 . 1 233 . 23 ILE N N 122.5 . 1 234 . 23 ILE H H 7.34 . 1 235 . 23 ILE CA C 61.9 . 1 236 . 23 ILE HA H 3.99 . 1 237 . 23 ILE CB C 35.6 . 1 238 . 23 ILE HB H 2.14 . 1 239 . 23 ILE HG2 H 1.04 . 1 240 . 23 ILE CG2 C 17.7 . 1 241 . 23 ILE CG1 C 27.6 . 1 242 . 23 ILE HG12 H 1.51 . 2 243 . 23 ILE HG13 H 1.19 . 2 244 . 23 ILE HD1 H 0.69 . 1 245 . 23 ILE CD1 C 9.7 . 1 246 . 23 ILE C C 177.7 . 1 247 . 24 LEU N N 120.9 . 1 248 . 24 LEU H H 8.04 . 1 249 . 24 LEU CA C 57.8 . 1 250 . 24 LEU HA H 3.61 . 1 251 . 24 LEU CB C 40.4 . 1 252 . 24 LEU HB2 H 1.17 . 2 253 . 24 LEU HB3 H 1.09 . 2 254 . 24 LEU CG C 26.4 . 1 255 . 24 LEU HG H 1.20 . 1 256 . 24 LEU HD1 H 0.16 . 2 257 . 24 LEU HD2 H 0.11 . 2 258 . 24 LEU CD1 C 23.3 . 1 259 . 24 LEU CD2 C 23.0 . 1 260 . 24 LEU C C 178.9 . 1 261 . 25 LYS N N 118.5 . 1 262 . 25 LYS H H 7.75 . 1 263 . 25 LYS CA C 59.1 . 1 264 . 25 LYS HA H 4.03 . 1 265 . 25 LYS CB C 32.0 . 1 266 . 25 LYS HB2 H 1.82 . 1 267 . 25 LYS HB3 H 1.82 . 1 268 . 25 LYS CG C 24.9 . 1 269 . 25 LYS HG2 H 1.52 . 2 270 . 25 LYS HG3 H 1.42 . 2 271 . 25 LYS CD C 29.0 . 1 272 . 25 LYS HD2 H 1.65 . 1 273 . 25 LYS HD3 H 1.65 . 1 274 . 25 LYS CE C 42.1 . 1 275 . 25 LYS HE2 H 2.93 . 1 276 . 25 LYS HE3 H 2.93 . 1 277 . 25 LYS C C 179.5 . 1 278 . 26 GLY N N 107.5 . 1 279 . 26 GLY H H 7.82 . 1 280 . 26 GLY CA C 47.1 . 1 281 . 26 GLY HA2 H 3.92 . 2 282 . 26 GLY HA3 H 3.85 . 2 283 . 26 GLY C C 176.6 . 1 284 . 27 LEU N N 125.1 . 1 285 . 27 LEU H H 8.19 . 1 286 . 27 LEU CA C 57.6 . 1 287 . 27 LEU HA H 3.31 . 1 288 . 27 LEU CB C 42.0 . 1 289 . 27 LEU HB2 H 1.01 . 2 290 . 27 LEU HB3 H 1.56 . 2 291 . 27 LEU CG C 26.5 . 1 292 . 27 LEU HG H 1.18 . 1 293 . 27 LEU HD1 H 0.20 . 2 294 . 27 LEU HD2 H 0.07 . 2 295 . 27 LEU CD1 C 24.6 . 1 296 . 27 LEU CD2 C 24.2 . 1 297 . 27 LEU C C 177.9 . 1 298 . 28 GLU N N 118.8 . 1 299 . 28 GLU H H 8.39 . 1 300 . 28 GLU CA C 60.0 . 1 301 . 28 GLU HA H 3.57 . 1 302 . 28 GLU CB C 29.4 . 1 303 . 28 GLU HB2 H 2.03 . 1 304 . 28 GLU HB3 H 2.03 . 1 305 . 28 GLU CG C 36.9 . 1 306 . 28 GLU HG2 H 2.42 . 2 307 . 28 GLU HG3 H 2.11 . 2 308 . 28 GLU C C 179.2 . 1 309 . 29 ASN N N 117.3 . 1 310 . 29 ASN H H 7.99 . 1 311 . 29 ASN CA C 56.3 . 1 312 . 29 ASN HA H 4.35 . 1 313 . 29 ASN CB C 38.7 . 1 314 . 29 ASN HB2 H 2.75 . 2 315 . 29 ASN HB3 H 2.79 . 2 316 . 29 ASN CG C 175.8 . 1 317 . 29 ASN ND2 N 113.3 . 1 318 . 29 ASN HD22 H 6.93 . 2 319 . 29 ASN C C 177.3 . 1 320 . 30 LEU N N 120.8 . 1 321 . 30 LEU H H 7.75 . 1 322 . 30 LEU CA C 58.5 . 1 323 . 30 LEU HA H 3.85 . 1 324 . 30 LEU CB C 42.1 . 1 325 . 30 LEU HB2 H 1.43 . 2 326 . 30 LEU HB3 H 1.64 . 2 327 . 30 LEU CG C 26.6 . 1 328 . 30 LEU HG H 1.45 . 1 329 . 30 LEU HD1 H 0.56 . 2 330 . 30 LEU HD2 H 0.52 . 2 331 . 30 LEU CD1 C 25.7 . 1 332 . 30 LEU CD2 C 25.9 . 1 333 . 30 LEU C C 178.3 . 1 334 . 31 VAL N N 111.7 . 1 335 . 31 VAL H H 7.96 . 1 336 . 31 VAL CA C 65.4 . 1 337 . 31 VAL HA H 3.62 . 1 338 . 31 VAL CB C 30.9 . 1 339 . 31 VAL HB H 1.96 . 1 340 . 31 VAL HG1 H 0.65 . 2 341 . 31 VAL HG2 H 0.68 . 2 342 . 31 VAL CG1 C 20.4 . 1 343 . 31 VAL CG2 C 21.4 . 1 344 . 31 VAL C C 177.3 . 1 345 . 32 SER N N 114.1 . 1 346 . 32 SER H H 7.61 . 1 347 . 32 SER CA C 60.8 . 1 348 . 32 SER HA H 4.20 . 1 349 . 32 SER CB C 63.4 . 1 350 . 32 SER HB2 H 4.00 . 1 351 . 32 SER HB3 H 4.00 . 1 352 . 32 SER C C 175.4 . 1 353 . 33 GLN N N 117.2 . 1 354 . 33 GLN H H 7.34 . 1 355 . 33 GLN CA C 56.3 . 1 356 . 33 GLN HA H 4.36 . 1 357 . 33 GLN CB C 31.0 . 1 358 . 33 GLN HB2 H 1.83 . 2 359 . 33 GLN HB3 H 2.17 . 2 360 . 33 GLN CG C 34.3 . 1 361 . 33 GLN HG2 H 2.31 . 2 362 . 33 GLN HG3 H 2.33 . 2 363 . 33 GLN C C 175.5 . 1 364 . 34 ILE N N 119.9 . 1 365 . 34 ILE H H 7.20 . 1 366 . 34 ILE CA C 61.5 . 1 367 . 34 ILE HA H 4.18 . 1 368 . 34 ILE CB C 38.1 . 1 369 . 34 ILE HB H 1.80 . 1 370 . 34 ILE HG2 H 1.13 . 1 371 . 34 ILE CG2 C 18.2 . 1 372 . 34 ILE CG1 C 26.0 . 1 373 . 34 ILE HG12 H 1.41 . 2 374 . 34 ILE HG13 H -0.01 . 2 375 . 34 ILE HD1 H 0.49 . 1 376 . 34 ILE CD1 C 14.5 . 1 377 . 34 ILE C C 175.6 . 1 378 . 35 ASP N N 126.4 . 1 379 . 35 ASP H H 8.55 . 1 380 . 35 ASP CA C 56.3 . 1 381 . 35 ASP HA H 4.34 . 1 382 . 35 ASP CB C 40.7 . 1 383 . 35 ASP HB2 H 2.81 . 2 384 . 35 ASP HB3 H 2.69 . 2 385 . 35 ASP C C 177.2 . 1 386 . 36 THR N N 107.0 . 1 387 . 36 THR H H 7.28 . 1 388 . 36 THR CA C 62.8 . 1 389 . 36 THR HA H 4.20 . 1 390 . 36 THR CB C 69.6 . 1 391 . 36 THR HB H 4.46 . 1 392 . 36 THR HG2 H 1.42 . 1 393 . 36 THR CG2 C 23.7 . 1 394 . 36 THR C C 175.7 . 1 395 . 37 VAL N N 120.0 . 1 396 . 37 VAL H H 7.42 . 1 397 . 37 VAL CA C 62.8 . 1 398 . 37 VAL HA H 3.27 . 1 399 . 37 VAL CB C 30.8 . 1 400 . 37 VAL HB H 2.04 . 1 401 . 37 VAL HG1 H 0.70 . 2 402 . 37 VAL HG2 H 0.53 . 2 403 . 37 VAL CG1 C 22.2 . 1 404 . 37 VAL CG2 C 22.1 . 1 405 . 37 VAL C C 175.2 . 1 406 . 38 LYS N N 127.9 . 1 407 . 38 LYS H H 8.49 . 1 408 . 38 LYS CA C 55.6 . 1 409 . 38 LYS HA H 4.24 . 1 410 . 38 LYS CB C 31.5 . 1 411 . 38 LYS HB2 H 1.67 . 1 412 . 38 LYS HB3 H 1.67 . 1 413 . 38 LYS CG C 24.2 . 1 414 . 38 LYS HG2 H 1.51 . 1 415 . 38 LYS HG3 H 1.51 . 1 416 . 38 LYS CD C 27.6 . 1 417 . 38 LYS HD2 H 1.54 . 1 418 . 38 LYS HD3 H 1.54 . 1 419 . 38 LYS CE C 42.1 . 1 420 . 38 LYS HE2 H 2.96 . 1 421 . 38 LYS HE3 H 2.96 . 1 422 . 38 LYS C C 177.2 . 1 423 . 39 SER N N 109.8 . 1 424 . 39 SER H H 7.26 . 1 425 . 39 SER CA C 57.3 . 1 426 . 39 SER HA H 4.59 . 1 427 . 39 SER CB C 65.4 . 1 428 . 39 SER HB2 H 3.81 . 2 429 . 39 SER HB3 H 3.70 . 2 430 . 39 SER C C 171.8 . 1 431 . 40 PHE N N 122.8 . 1 432 . 40 PHE H H 8.72 . 1 433 . 40 PHE CA C 55.7 . 1 434 . 40 PHE HA H 5.77 . 1 435 . 40 PHE CB C 43.3 . 1 436 . 40 PHE HB2 H 2.69 . 2 437 . 40 PHE HB3 H 3.11 . 2 438 . 40 PHE C C 172.6 . 1 439 . 41 GLU N N 126.8 . 1 440 . 41 GLU H H 8.40 . 1 441 . 41 GLU CA C 54.0 . 1 442 . 41 GLU HA H 4.93 . 1 443 . 41 GLU CB C 34.0 . 1 444 . 41 GLU HB2 H 1.83 . 2 445 . 41 GLU HB3 H 1.76 . 2 446 . 41 GLU CG C 35.9 . 1 447 . 41 GLU HG2 H 2.03 . 2 448 . 41 GLU HG3 H 1.97 . 2 449 . 41 GLU C C 172.7 . 1 450 . 42 TRP N N 120.4 . 1 451 . 42 TRP H H 8.44 . 1 452 . 42 TRP CA C 55.5 . 1 453 . 42 TRP NE1 N 130.4 . 1 454 . 42 TRP C C 173.0 . 1 455 . 43 GLY N N 107.6 . 1 456 . 43 GLY H H 7.88 . 1 457 . 43 GLY CA C 45.1 . 1 458 . 43 GLY HA2 H 2.86 . 2 459 . 43 GLY HA3 H 3.73 . 2 460 . 43 GLY C C 169.5 . 1 461 . 44 GLU N N 119.3 . 1 462 . 44 GLU H H 8.05 . 1 463 . 44 GLU CA C 53.4 . 1 464 . 44 GLU HA H 4.78 . 1 465 . 44 GLU CB C 34.2 . 1 466 . 44 GLU HB2 H 1.77 . 2 467 . 44 GLU HB3 H 1.42 . 2 468 . 44 GLU CG C 36.5 . 1 469 . 44 GLU HG2 H 1.56 . 1 470 . 44 GLU HG3 H 1.56 . 1 471 . 44 GLU C C 174.3 . 1 472 . 45 ASP N N 125.8 . 1 473 . 45 ASP H H 8.88 . 1 474 . 45 ASP CA C 53.2 . 1 475 . 45 ASP HA H 4.97 . 1 476 . 45 ASP CB C 43.3 . 1 477 . 45 ASP HB2 H 2.53 . 2 478 . 45 ASP HB3 H 2.95 . 2 479 . 45 ASP C C 174.3 . 1 480 . 46 LYS N N 120.2 . 1 481 . 46 LYS H H 8.54 . 1 482 . 46 LYS CA C 55.1 . 1 483 . 46 LYS HA H 4.60 . 1 484 . 46 LYS CB C 33.4 . 1 485 . 46 LYS HB2 H 2.03 . 2 486 . 46 LYS HB3 H 1.75 . 2 487 . 46 LYS CG C 25.2 . 1 488 . 46 LYS HG2 H 1.41 . 1 489 . 46 LYS HG3 H 1.41 . 1 490 . 46 LYS CD C 29.7 . 1 491 . 46 LYS HD2 H 1.76 . 2 492 . 46 LYS HD3 H 1.45 . 2 493 . 46 LYS CE C 42.1 . 1 494 . 46 LYS HE2 H 3.06 . 1 495 . 46 LYS HE3 H 3.06 . 1 496 . 46 LYS C C 177.1 . 1 497 . 47 GLU N N 121.0 . 1 498 . 47 GLU H H 8.96 . 1 499 . 47 GLU CA C 57.6 . 1 500 . 47 GLU HA H 4.50 . 1 501 . 47 GLU CB C 32.8 . 1 502 . 47 GLU HB2 H 2.38 . 2 503 . 47 GLU HB3 H 2.15 . 2 504 . 47 GLU CG C 36.8 . 1 505 . 47 GLU HG2 H 2.32 . 1 506 . 47 GLU HG3 H 2.32 . 1 507 . 47 GLU C C 178.0 . 1 508 . 48 SER N N 119.9 . 1 509 . 48 SER H H 9.82 . 1 510 . 48 SER CA C 59.6 . 1 511 . 48 SER HA H 4.46 . 1 512 . 48 SER CB C 62.5 . 1 513 . 48 SER HB2 H 3.85 . 2 514 . 48 SER HB3 H 3.71 . 2 515 . 48 SER C C 174.8 . 1 516 . 49 HIS N N 124.5 . 1 517 . 49 HIS H H 9.00 . 1 518 . 49 HIS CA C 58.7 . 1 519 . 49 HIS HA H 4.33 . 1 520 . 49 HIS CB C 31.3 . 1 521 . 49 HIS HB2 H 3.09 . 2 522 . 49 HIS HB3 H 3.27 . 2 523 . 49 HIS C C 176.9 . 1 524 . 50 ASP N N 126.6 . 1 525 . 50 ASP H H 8.59 . 1 526 . 50 ASP CA C 58.5 . 1 527 . 50 ASP HA H 3.85 . 1 528 . 50 ASP CB C 42.2 . 1 529 . 50 ASP HB2 H 2.60 . 2 530 . 50 ASP HB3 H 2.53 . 2 531 . 50 ASP C C 178.6 . 1 532 . 51 MET N N 119.5 . 1 533 . 51 MET H H 10.44 . 1 534 . 51 MET CA C 58.5 . 1 535 . 51 MET HA H 4.35 . 1 536 . 51 MET CB C 32.4 . 1 537 . 51 MET HB2 H 2.23 . 2 538 . 51 MET HB3 H 2.14 . 2 539 . 51 MET CG C 32.5 . 1 540 . 51 MET HG2 H 2.70 . 2 541 . 51 MET HG3 H 2.66 . 2 542 . 51 MET C C 178.9 . 1 543 . 52 LEU N N 119.8 . 1 544 . 52 LEU H H 7.76 . 1 545 . 52 LEU CA C 57.0 . 1 546 . 52 LEU HA H 4.41 . 1 547 . 52 LEU CB C 42.0 . 1 548 . 52 LEU HB2 H 2.20 . 2 549 . 52 LEU HB3 H 1.81 . 2 550 . 52 LEU HD1 H 1.15 . 2 551 . 52 LEU HD2 H 0.98 . 2 552 . 52 LEU CD1 C 25.8 . 1 553 . 52 LEU CD2 C 22.9 . 1 554 . 52 LEU C C 177.7 . 1 555 . 53 ARG N N 115.1 . 1 556 . 53 ARG H H 7.25 . 1 557 . 53 ARG CA C 57.3 . 1 558 . 53 ARG HA H 4.62 . 1 559 . 53 ARG CB C 31.6 . 1 560 . 53 ARG CD C 43.7 . 1 561 . 53 ARG NE N 87.6 . 1 562 . 53 ARG HE H 6.94 . 1 563 . 53 ARG C C 177.6 . 1 564 . 54 GLN N N 113.7 . 1 565 . 54 GLN H H 8.24 . 1 566 . 54 GLN CA C 56.6 . 1 567 . 54 GLN HA H 3.97 . 1 568 . 54 GLN CB C 26.8 . 1 569 . 54 GLN HB2 H 2.44 . 1 570 . 54 GLN HB3 H 2.44 . 1 571 . 54 GLN CG C 34.3 . 1 572 . 54 GLN HG2 H 2.64 . 2 573 . 54 GLN HG3 H 2.51 . 2 574 . 54 GLN CD C 181.0 . 1 575 . 54 GLN NE2 N 112.0 . 1 576 . 54 GLN HE22 H 6.61 . 2 577 . 54 GLN C C 175.8 . 1 578 . 55 GLY N N 102.2 . 1 579 . 55 GLY H H 7.80 . 1 580 . 55 GLY CA C 45.4 . 1 581 . 55 GLY HA2 H 3.67 . 2 582 . 55 GLY HA3 H 4.01 . 2 583 . 55 GLY C C 174.3 . 1 584 . 56 PHE N N 120.4 . 1 585 . 56 PHE H H 7.86 . 1 586 . 56 PHE CA C 61.2 . 1 587 . 56 PHE HA H 4.04 . 1 588 . 56 PHE CB C 38.9 . 1 589 . 56 PHE HB2 H 3.08 . 2 590 . 56 PHE HB3 H 2.77 . 2 591 . 56 PHE C C 175.7 . 1 592 . 57 THR N N 107.3 . 1 593 . 57 THR H H 8.41 . 1 594 . 57 THR CA C 62.1 . 1 595 . 57 THR HA H 4.92 . 1 596 . 57 THR CB C 70.3 . 1 597 . 57 THR HB H 4.29 . 1 598 . 57 THR HG2 H 1.34 . 1 599 . 57 THR CG2 C 21.5 . 1 600 . 57 THR C C 173.2 . 1 601 . 58 HIS N N 119.6 . 1 602 . 58 HIS H H 8.23 . 1 603 . 58 HIS CA C 55.8 . 1 604 . 58 HIS HA H 5.39 . 1 605 . 58 HIS CB C 35.8 . 1 606 . 58 HIS HB2 H 2.44 . 2 607 . 58 HIS HB3 H 2.68 . 2 608 . 58 HIS C C 173.7 . 1 609 . 59 ALA N N 119.8 . 1 610 . 59 ALA H H 7.89 . 1 611 . 59 ALA CA C 49.9 . 1 612 . 59 ALA HA H 5.28 . 1 613 . 59 ALA HB H 0.81 . 1 614 . 59 ALA CB C 22.8 . 1 615 . 59 ALA C C 175.7 . 1 616 . 60 PHE N N 118.3 . 1 617 . 60 PHE H H 9.35 . 1 618 . 60 PHE CA C 55.9 . 1 619 . 60 PHE HA H 5.35 . 1 620 . 60 PHE CB C 42.1 . 1 621 . 60 PHE HB2 H 3.24 . 2 622 . 60 PHE HB3 H 3.44 . 2 623 . 60 PHE C C 173.8 . 1 624 . 61 SER N N 114.1 . 1 625 . 61 SER H H 9.08 . 1 626 . 61 SER CA C 56.8 . 1 627 . 61 SER HA H 5.62 . 1 628 . 61 SER CB C 66.0 . 1 629 . 61 SER HB2 H 3.58 . 2 630 . 61 SER HB3 H 3.52 . 2 631 . 61 SER C C 173.8 . 1 632 . 62 MET N N 123.5 . 1 633 . 62 MET H H 8.96 . 1 634 . 62 MET CA C 54.7 . 1 635 . 62 MET HA H 5.37 . 1 636 . 62 MET CB C 38.3 . 1 637 . 62 MET HB2 H 1.79 . 2 638 . 62 MET HB3 H 1.95 . 2 639 . 62 MET CG C 35.2 . 1 640 . 62 MET HG2 H 2.51 . 2 641 . 62 MET HG3 H 2.74 . 2 642 . 62 MET C C 174.3 . 1 643 . 63 THR N N 115.2 . 1 644 . 63 THR H H 8.04 . 1 645 . 63 THR CA C 61.5 . 1 646 . 63 THR HA H 5.00 . 1 647 . 63 THR CB C 70.5 . 1 648 . 63 THR HB H 3.82 . 1 649 . 63 THR HG2 H 1.03 . 1 650 . 63 THR CG2 C 21.8 . 1 651 . 63 THR C C 171.6 . 1 652 . 64 PHE N N 122.2 . 1 653 . 64 PHE H H 9.30 . 1 654 . 64 PHE CA C 56.0 . 1 655 . 64 PHE HA H 4.77 . 1 656 . 64 PHE CB C 43.6 . 1 657 . 64 PHE HB2 H 3.54 . 2 658 . 64 PHE HB3 H 2.80 . 2 659 . 64 PHE C C 175.5 . 1 660 . 65 GLU N N 123.1 . 1 661 . 65 GLU H H 10.47 . 1 662 . 65 GLU CA C 59.3 . 1 663 . 65 GLU HA H 4.14 . 1 664 . 65 GLU CB C 30.8 . 1 665 . 65 GLU HB2 H 1.99 . 1 666 . 65 GLU HB3 H 1.99 . 1 667 . 65 GLU CG C 37.0 . 1 668 . 65 GLU HG2 H 2.29 . 2 669 . 65 GLU HG3 H 2.34 . 2 670 . 65 GLU C C 176.1 . 1 671 . 66 ASN N N 107.1 . 1 672 . 66 ASN H H 7.56 . 1 673 . 66 ASN CA C 51.3 . 1 674 . 66 ASN HA H 4.49 . 1 675 . 66 ASN CB C 39.3 . 1 676 . 66 ASN HB2 H 3.40 . 2 677 . 66 ASN HB3 H 3.17 . 2 678 . 66 ASN C C 174.4 . 1 679 . 67 LYS N N 121.2 . 1 680 . 67 LYS H H 8.84 . 1 681 . 67 LYS CA C 59.4 . 1 682 . 67 LYS HA H 2.70 . 1 683 . 67 LYS CB C 32.0 . 1 684 . 67 LYS HB2 H 1.51 . 2 685 . 67 LYS HB3 H 1.18 . 2 686 . 67 LYS CG C 25.2 . 1 687 . 67 LYS HG2 H 1.09 . 2 688 . 67 LYS HG3 H 0.54 . 2 689 . 67 LYS CD C 29.5 . 1 690 . 67 LYS HD2 H 1.45 . 1 691 . 67 LYS HD3 H 1.45 . 1 692 . 67 LYS CE C 42.1 . 1 693 . 67 LYS HE2 H 2.80 . 2 694 . 67 LYS HE3 H 2.76 . 2 695 . 67 LYS C C 177.3 . 1 696 . 68 ASP N N 118.0 . 1 697 . 68 ASP H H 8.04 . 1 698 . 68 ASP CA C 57.6 . 1 699 . 68 ASP HA H 4.16 . 1 700 . 68 ASP CB C 39.5 . 1 701 . 68 ASP HB2 H 2.50 . 1 702 . 68 ASP HB3 H 2.50 . 1 703 . 68 ASP C C 179.5 . 1 704 . 69 GLY N N 108.8 . 1 705 . 69 GLY H H 8.14 . 1 706 . 69 GLY CA C 47.1 . 1 707 . 69 GLY HA2 H 4.20 . 2 708 . 69 GLY HA3 H 3.96 . 2 709 . 69 GLY C C 175.3 . 1 710 . 70 TYR N N 124.1 . 1 711 . 70 TYR H H 6.90 . 1 712 . 70 TYR CA C 59.2 . 1 713 . 70 TYR HA H 4.14 . 1 714 . 70 TYR CB C 37.7 . 1 715 . 70 TYR HB2 H 1.99 . 2 716 . 70 TYR HB3 H 2.49 . 2 717 . 70 TYR C C 176.7 . 1 718 . 71 VAL N N 121.9 . 1 719 . 71 VAL H H 8.32 . 1 720 . 71 VAL CA C 66.1 . 1 721 . 71 VAL HA H 3.09 . 1 722 . 71 VAL CB C 31.3 . 1 723 . 71 VAL HB H 1.91 . 1 724 . 71 VAL HG1 H 0.83 . 2 725 . 71 VAL HG2 H 0.72 . 2 726 . 71 VAL CG1 C 22.6 . 1 727 . 71 VAL CG2 C 20.8 . 1 728 . 71 VAL C C 179.3 . 1 729 . 72 ALA N N 122.7 . 1 730 . 72 ALA H H 7.79 . 1 731 . 72 ALA CA C 55.0 . 1 732 . 72 ALA HA H 3.99 . 1 733 . 72 ALA HB H 1.53 . 1 734 . 72 ALA CB C 18.2 . 1 735 . 72 ALA C C 179.8 . 1 736 . 73 PHE N N 119.9 . 1 737 . 73 PHE H H 7.41 . 1 738 . 73 PHE CA C 60.7 . 1 739 . 73 PHE HA H 4.27 . 1 740 . 73 PHE CB C 39.4 . 1 741 . 73 PHE HB2 H 3.15 . 2 742 . 73 PHE HB3 H 3.18 . 2 743 . 73 PHE C C 175.8 . 1 744 . 74 THR N N 109.9 . 1 745 . 74 THR H H 8.00 . 1 746 . 74 THR CA C 64.2 . 1 747 . 74 THR HA H 2.73 . 1 748 . 74 THR CB C 68.7 . 1 749 . 74 THR HB H 3.76 . 1 750 . 74 THR HG2 H 0.52 . 1 751 . 74 THR CG2 C 22.1 . 1 752 . 74 THR C C 176.5 . 1 753 . 75 SER N N 113.7 . 1 754 . 75 SER H H 7.39 . 1 755 . 75 SER CA C 58.0 . 1 756 . 75 SER HA H 4.32 . 1 757 . 75 SER CB C 63.9 . 1 758 . 75 SER HB2 H 3.85 . 2 759 . 75 SER HB3 H 3.80 . 2 760 . 75 SER C C 173.3 . 1 761 . 76 HIS N N 127.6 . 1 762 . 76 HIS H H 7.54 . 1 763 . 76 HIS CA C 56.7 . 1 764 . 76 HIS HA H 4.39 . 1 765 . 76 HIS CB C 32.3 . 1 766 . 76 HIS HB2 H 2.96 . 2 767 . 76 HIS HB3 H 3.40 . 2 768 . 77 PRO CD C 50.6 . 1 769 . 77 PRO CA C 65.8 . 1 770 . 77 PRO HA H 4.20 . 1 771 . 77 PRO CB C 32.3 . 1 772 . 77 PRO HB2 H 2.35 . 1 773 . 77 PRO HB3 H 2.35 . 1 774 . 77 PRO CG C 27.6 . 1 775 . 77 PRO HG2 H 1.90 . 1 776 . 77 PRO HG3 H 1.90 . 1 777 . 77 PRO HD2 H 3.60 . 2 778 . 77 PRO HD3 H 2.52 . 2 779 . 77 PRO C C 179.8 . 1 780 . 78 LEU N N 120.2 . 1 781 . 78 LEU H H 11.23 . 1 782 . 78 LEU CA C 57.8 . 1 783 . 78 LEU HA H 4.29 . 1 784 . 78 LEU CB C 42.2 . 1 785 . 78 LEU HB2 H 1.81 . 2 786 . 78 LEU HB3 H 1.44 . 2 787 . 78 LEU CG C 27.0 . 1 788 . 78 LEU HG H 1.91 . 1 789 . 78 LEU HD1 H 0.90 . 2 790 . 78 LEU HD2 H 0.85 . 2 791 . 78 LEU CD1 C 22.9 . 1 792 . 78 LEU CD2 C 25.3 . 1 793 . 78 LEU C C 181.2 . 1 794 . 79 HIS N N 120.0 . 1 795 . 79 HIS H H 7.92 . 1 796 . 79 HIS CA C 60.6 . 1 797 . 79 HIS HA H 4.04 . 1 798 . 79 HIS CB C 29.2 . 1 799 . 79 HIS HB2 H 3.19 . 2 800 . 79 HIS HB3 H 2.45 . 2 801 . 79 HIS C C 177.6 . 1 802 . 80 VAL N N 122.5 . 1 803 . 80 VAL H H 8.16 . 1 804 . 80 VAL CA C 66.9 . 1 805 . 80 VAL HA H 3.44 . 1 806 . 80 VAL CB C 31.8 . 1 807 . 80 VAL HB H 2.10 . 1 808 . 80 VAL HG1 H 0.99 . 2 809 . 80 VAL HG2 H 0.92 . 2 810 . 80 VAL CG1 C 22.1 . 1 811 . 80 VAL CG2 C 20.9 . 1 812 . 80 VAL C C 179.1 . 1 813 . 81 GLU N N 118.7 . 1 814 . 81 GLU H H 7.71 . 1 815 . 81 GLU CA C 59.4 . 1 816 . 81 GLU HA H 4.07 . 1 817 . 81 GLU CB C 30.1 . 1 818 . 81 GLU HB2 H 2.06 . 1 819 . 81 GLU HB3 H 2.06 . 1 820 . 81 GLU CG C 36.2 . 1 821 . 81 GLU HG2 H 2.32 . 1 822 . 81 GLU HG3 H 2.32 . 1 823 . 81 GLU C C 178.9 . 1 824 . 82 PHE N N 120.8 . 1 825 . 82 PHE H H 7.94 . 1 826 . 82 PHE CA C 61.5 . 1 827 . 82 PHE HA H 4.20 . 1 828 . 82 PHE CB C 39.8 . 1 829 . 82 PHE HB2 H 2.78 . 2 830 . 82 PHE HB3 H 3.31 . 2 831 . 82 PHE C C 177.0 . 1 832 . 83 SER N N 113.7 . 1 833 . 83 SER H H 8.76 . 1 834 . 83 SER CA C 62.0 . 1 835 . 83 SER HA H 3.86 . 1 836 . 83 SER CB C 62.6 . 1 837 . 83 SER HB2 H 3.70 . 1 838 . 83 SER HB3 H 3.70 . 1 839 . 83 SER C C 176.4 . 1 840 . 84 ALA N N 123.2 . 1 841 . 84 ALA H H 7.27 . 1 842 . 84 ALA CA C 55.1 . 1 843 . 84 ALA HA H 4.12 . 1 844 . 84 ALA HB H 1.46 . 1 845 . 84 ALA CB C 18.1 . 1 846 . 84 ALA C C 179.6 . 1 847 . 85 ALA N N 121.1 . 1 848 . 85 ALA H H 7.07 . 1 849 . 85 ALA CA C 54.3 . 1 850 . 85 ALA HA H 4.08 . 1 851 . 85 ALA HB H 1.29 . 1 852 . 85 ALA CB C 18.0 . 1 853 . 85 ALA C C 179.7 . 1 854 . 86 PHE N N 118.8 . 1 855 . 86 PHE H H 8.30 . 1 856 . 86 PHE CA C 59.5 . 1 857 . 86 PHE HA H 4.06 . 1 858 . 86 PHE CB C 40.2 . 1 859 . 86 PHE HB2 H 2.36 . 2 860 . 86 PHE HB3 H 2.76 . 2 861 . 86 PHE C C 176.9 . 1 862 . 87 THR N N 110.8 . 1 863 . 87 THR H H 8.23 . 1 864 . 87 THR CA C 69.1 . 1 865 . 87 THR HA H 4.19 . 1 866 . 87 THR CB C 66.0 . 1 867 . 87 THR HB H 3.67 . 1 868 . 87 THR HG2 H 1.28 . 1 869 . 87 THR CG2 C 21.6 . 1 870 . 87 THR C C 175.7 . 1 871 . 88 ALA N N 119.4 . 1 872 . 88 ALA H H 7.02 . 1 873 . 88 ALA CA C 54.2 . 1 874 . 88 ALA HA H 4.23 . 1 875 . 88 ALA HB H 1.49 . 1 876 . 88 ALA CB C 19.1 . 1 877 . 88 ALA C C 179.0 . 1 878 . 89 VAL N N 106.8 . 1 879 . 89 VAL H H 7.33 . 1 880 . 89 VAL CA C 60.9 . 1 881 . 89 VAL HA H 4.58 . 1 882 . 89 VAL CB C 31.3 . 1 883 . 89 VAL HB H 2.95 . 1 884 . 89 VAL HG1 H 0.90 . 2 885 . 89 VAL HG2 H 1.03 . 2 886 . 89 VAL CG1 C 21.4 . 1 887 . 89 VAL CG2 C 18.9 . 1 888 . 89 VAL C C 175.7 . 1 889 . 90 ILE N N 119.8 . 1 890 . 90 ILE H H 7.02 . 1 891 . 90 ILE CA C 61.8 . 1 892 . 90 ILE HA H 3.99 . 1 893 . 90 ILE CB C 40.0 . 1 894 . 90 ILE HB H 1.62 . 1 895 . 90 ILE HG2 H 0.41 . 1 896 . 90 ILE CG2 C 18.7 . 1 897 . 90 ILE CG1 C 26.4 . 1 898 . 90 ILE HG12 H 0.78 . 2 899 . 90 ILE HG13 H 1.34 . 2 900 . 90 ILE HD1 H 0.32 . 1 901 . 90 ILE CD1 C 14.0 . 1 902 . 90 ILE C C 175.0 . 1 903 . 91 ASP N N 125.3 . 1 904 . 91 ASP H H 8.98 . 1 905 . 91 ASP CA C 55.1 . 1 906 . 91 ASP HA H 4.80 . 1 907 . 91 ASP CB C 43.7 . 1 908 . 91 ASP HB2 H 2.07 . 2 909 . 91 ASP HB3 H 2.29 . 2 910 . 91 ASP C C 175.7 . 1 911 . 92 LYS N N 112.9 . 1 912 . 92 LYS H H 7.67 . 1 913 . 92 LYS CA C 55.3 . 1 914 . 92 LYS HA H 4.68 . 1 915 . 92 LYS CB C 36.6 . 1 916 . 92 LYS HB2 H 1.90 . 2 917 . 92 LYS HB3 H 1.46 . 2 918 . 92 LYS CG C 24.0 . 1 919 . 92 LYS HG2 H 1.21 . 2 920 . 92 LYS HG3 H 1.04 . 2 921 . 92 LYS CE C 41.4 . 1 922 . 92 LYS HE2 H 2.43 . 1 923 . 92 LYS HE3 H 2.43 . 1 924 . 92 LYS C C 173.8 . 1 925 . 93 ILE N N 118.9 . 1 926 . 93 ILE H H 8.66 . 1 927 . 93 ILE CA C 59.8 . 1 928 . 93 ILE HA H 5.59 . 1 929 . 93 ILE CB C 42.5 . 1 930 . 93 ILE HB H 1.79 . 1 931 . 93 ILE CG1 C 28.9 . 1 932 . 93 ILE HG12 H 1.65 . 2 933 . 93 ILE HG13 H 0.97 . 2 934 . 93 ILE HD1 H 0.96 . 1 935 . 93 ILE CD1 C 15.3 . 1 936 . 93 ILE C C 172.6 . 1 937 . 94 VAL N N 128.3 . 1 938 . 94 VAL H H 9.09 . 1 939 . 94 VAL CA C 62.3 . 1 940 . 94 VAL HA H 4.27 . 1 941 . 94 VAL CB C 35.7 . 1 942 . 94 VAL HB H 1.34 . 1 943 . 94 VAL HG1 H 0.69 . 2 944 . 94 VAL HG2 H 0.62 . 2 945 . 94 VAL CG1 C 22.6 . 1 946 . 94 VAL CG2 C 20.5 . 1 947 . 94 VAL C C 172.9 . 1 948 . 95 LEU N N 127.8 . 1 949 . 95 LEU H H 7.80 . 1 950 . 95 LEU CA C 53.7 . 1 951 . 95 LEU HA H 5.22 . 1 952 . 95 LEU CB C 45.5 . 1 953 . 95 LEU HB2 H 1.48 . 1 954 . 95 LEU HB3 H 1.48 . 1 955 . 95 LEU CG C 27.4 . 1 956 . 95 LEU HG H 1.58 . 1 957 . 95 LEU HD1 H 1.08 . 2 958 . 95 LEU HD2 H 1.04 . 2 959 . 95 LEU CD1 C 27.3 . 1 960 . 95 LEU CD2 C 27.0 . 1 961 . 95 LEU C C 175.0 . 1 962 . 96 LEU N N 122.8 . 1 963 . 96 LEU H H 8.72 . 1 964 . 96 LEU CA C 54.7 . 1 965 . 96 LEU HA H 4.84 . 1 966 . 96 LEU CB C 47.4 . 1 967 . 96 LEU HB2 H 1.43 . 2 968 . 96 LEU HB3 H 1.40 . 2 969 . 96 LEU CG C 27.9 . 1 970 . 96 LEU HG H 1.47 . 1 971 . 96 LEU HD1 H 0.76 . 2 972 . 96 LEU HD2 H 0.59 . 2 973 . 96 LEU CD1 C 25.2 . 1 974 . 96 LEU CD2 C 27.1 . 1 975 . 96 LEU C C 173.0 . 1 976 . 97 ASP N N 123.4 . 1 977 . 97 ASP H H 9.16 . 1 978 . 97 ASP CA C 52.0 . 1 979 . 97 ASP HA H 5.56 . 1 980 . 97 ASP CB C 42.8 . 1 981 . 97 ASP HB2 H 2.48 . 2 982 . 97 ASP HB3 H 2.38 . 2 983 . 97 ASP C C 175.1 . 1 984 . 98 PHE N N 118.2 . 1 985 . 98 PHE H H 7.86 . 1 986 . 98 PHE CA C 52.7 . 1 987 . 98 PHE HA H 4.99 . 1 988 . 98 PHE CB C 38.4 . 1 989 . 98 PHE HB2 H 2.70 . 2 990 . 98 PHE HB3 H 2.67 . 2 991 . 99 PRO CD C 51.0 . 1 992 . 99 PRO CA C 61.9 . 1 993 . 99 PRO HA H 4.82 . 1 994 . 99 PRO CB C 32.0 . 1 995 . 99 PRO HB2 H 2.01 . 2 996 . 99 PRO HB3 H 2.48 . 2 997 . 99 PRO CG C 27.6 . 1 998 . 99 PRO HG2 H 2.26 . 2 999 . 99 PRO HG3 H 2.31 . 2 1000 . 99 PRO HD2 H 3.97 . 2 1001 . 99 PRO HD3 H 3.96 . 2 1002 . 99 PRO C C 176.8 . 1 1003 . 100 VAL N N 123.1 . 1 1004 . 100 VAL H H 7.92 . 1 1005 . 100 VAL CA C 62.8 . 1 1006 . 100 VAL HA H 3.92 . 1 1007 . 100 VAL CB C 33.1 . 1 1008 . 100 VAL HB H 1.81 . 1 1009 . 100 VAL CG1 C 22.3 . 1 1010 . 100 VAL CG2 C 21.9 . 1 1011 . 100 VAL HG1 H 0.70 . 1 1012 . 100 VAL HG2 H 0.70 . 1 1013 . 100 VAL C C 174.8 . 1 1014 . 101 ALA N N 130.7 . 1 1015 . 101 ALA H H 8.56 . 1 1016 . 101 ALA CA C 51.4 . 1 1017 . 101 ALA HA H 4.51 . 1 1018 . 101 ALA HB H 0.76 . 1 1019 . 101 ALA CB C 18.6 . 1 1020 . 101 ALA C C 175.6 . 1 1021 . 102 ALA N N 125.3 . 1 1022 . 102 ALA H H 8.29 . 1 1023 . 102 ALA CA C 51.5 . 1 1024 . 102 ALA HA H 4.62 . 1 1025 . 102 ALA HB H 1.29 . 1 1026 . 102 ALA CB C 20.0 . 1 1027 . 102 ALA C C 176.9 . 1 1028 . 103 VAL N N 121.8 . 1 1029 . 103 VAL H H 8.07 . 1 1030 . 103 VAL CA C 62.9 . 1 1031 . 103 VAL HA H 4.18 . 1 1032 . 103 VAL CB C 33.6 . 1 1033 . 103 VAL HB H 1.97 . 1 1034 . 103 VAL HG1 H 1.02 . 2 1035 . 103 VAL HG2 H 0.99 . 2 1036 . 103 VAL CG1 C 21.7 . 1 1037 . 103 VAL CG2 C 21.4 . 1 1038 . 103 VAL C C 175.6 . 1 1039 . 104 LYS N N 123.0 . 1 1040 . 104 LYS H H 8.40 . 1 1041 . 104 LYS CA C 55.8 . 1 1042 . 104 LYS HA H 4.61 . 1 1043 . 104 LYS CB C 35.6 . 1 1044 . 104 LYS HB2 H 1.72 . 1 1045 . 104 LYS HB3 H 1.72 . 1 1046 . 104 LYS CG C 25.3 . 1 1047 . 104 LYS HG2 H 1.37 . 2 1048 . 104 LYS HG3 H 1.30 . 2 1049 . 104 LYS CD C 29.8 . 1 1050 . 104 LYS HD2 H 1.72 . 1 1051 . 104 LYS HD3 H 1.72 . 1 1052 . 104 LYS CE C 42.3 . 1 1053 . 104 LYS HE2 H 2.98 . 1 1054 . 104 LYS HE3 H 2.98 . 1 1055 . 104 LYS C C 175.7 . 1 1056 . 105 SER N N 120.5 . 1 1057 . 105 SER H H 8.66 . 1 1058 . 105 SER CA C 57.8 . 1 1059 . 105 SER HA H 4.64 . 1 1060 . 105 SER CB C 64.4 . 1 1061 . 105 SER HB2 H 3.81 . 1 1062 . 105 SER HB3 H 3.81 . 1 1063 . 105 SER C C 173.8 . 1 1064 . 106 SER N N 118.2 . 1 1065 . 106 SER H H 8.44 . 1 1066 . 106 SER CA C 58.3 . 1 1067 . 106 SER HA H 4.53 . 1 1068 . 106 SER CB C 64.0 . 1 1069 . 106 SER HB2 H 3.83 . 1 1070 . 106 SER HB3 H 3.83 . 1 1071 . 106 SER C C 174.3 . 1 1072 . 107 VAL N N 122.1 . 1 1073 . 107 VAL H H 8.16 . 1 1074 . 107 VAL CA C 62.2 . 1 1075 . 107 VAL HA H 4.11 . 1 1076 . 107 VAL CB C 32.8 . 1 1077 . 107 VAL HB H 2.03 . 1 1078 . 107 VAL HG1 H 0.91 . 2 1079 . 107 VAL CG1 C 20.9 . 1 1080 . 107 VAL C C 176.0 . 1 1081 . 108 VAL N N 124.8 . 1 1082 . 108 VAL H H 8.22 . 1 1083 . 108 VAL CA C 62.1 . 1 1084 . 108 VAL HA H 4.11 . 1 1085 . 108 VAL CB C 32.9 . 1 1086 . 108 VAL HB H 2.03 . 1 1087 . 108 VAL HG1 H 0.91 . 2 1088 . 108 VAL HG2 H 0.87 . 2 1089 . 108 VAL CG1 C 20.9 . 1 1090 . 108 VAL CG2 C 17.1 . 1 1091 . 108 VAL C C 174.7 . 1 1092 . 109 ALA N N 128.8 . 1 1093 . 109 ALA H H 8.42 . 1 1094 . 109 ALA CA C 52.3 . 1 1095 . 109 ALA HA H 4.39 . 1 1096 . 109 ALA HB H 1.36 . 1 1097 . 109 ALA CB C 19.5 . 1 1098 . 109 ALA C C 177.3 . 1 1099 . 110 THR N N 116.4 . 1 1100 . 110 THR H H 8.17 . 1 1101 . 110 THR CA C 54.4 . 1 1102 . 110 THR HA H 4.09 . 1 1103 . 110 THR CB C 63.8 . 1 1104 . 110 THR HB H 4.07 . 1 1105 . 110 THR HG2 H 1.29 . 1 1106 . 110 THR CG2 C 18.0 . 1 stop_ save_