data_5329 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and Side Chain 1H, 13C, and 15N chemical shift assignments for conserved eukaryotic protein ZK652.3 from C. elegans ; _BMRB_accession_number 5329 _BMRB_flat_file_name bmr5329.str _Entry_type original _Submission_date 2002-03-20 _Accession_date 2002-03-20 _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 Cort John R. . 2 Chiang Yiwen . . 3 Deyou Zheng . . 4 Montelione Gaetano T. . 5 Kennedy Michael A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 427 "13C chemical shifts" 365 "15N chemical shifts" 85 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-07-15 update BMRB 'added time domain data' 2003-01-06 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Structure of Conserved Eukaryotic Protein ZK652.3 from C. elegans: A Ubiquitin-like fold ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22199947 _PubMed_ID 12211038 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cort John R. . 2 Chiang Yiwen . . 3 Zheng Deyou . . 4 Montelione Gaetano T. . 5 Kennedy Michael A. . stop_ _Journal_abbreviation Proteins _Journal_volume 48 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 733 _Page_last 736 _Year 2002 _Details . loop_ _Keyword 'NESG, Northeast Structural Genomics' 'Consortium Structural Genomics' stop_ save_ ################################## # Molecular system description # ################################## save_system_ZK652.3 _Saveframe_category molecular_system _Mol_system_name 'C. elegans protein ZK652.3' _Abbreviation_common ZK652.3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ZK652.3 $ZK652.3 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_ZK652.3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ZK652.3 _Abbreviation_common ZK652.3 _Molecular_mass 9800 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 94 _Mol_residue_sequence ; MSGGTAATTAGSKVTFKITL TSDPKLPFKVLSVPESTPFT AVLKFAAEEFKVPAATSAII TNDGVGVNPAQPAGNIFLKH GSELRLIPRDRVGH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 GLY 4 GLY 5 THR 6 ALA 7 ALA 8 THR 9 THR 10 ALA 11 GLY 12 SER 13 LYS 14 VAL 15 THR 16 PHE 17 LYS 18 ILE 19 THR 20 LEU 21 THR 22 SER 23 ASP 24 PRO 25 LYS 26 LEU 27 PRO 28 PHE 29 LYS 30 VAL 31 LEU 32 SER 33 VAL 34 PRO 35 GLU 36 SER 37 THR 38 PRO 39 PHE 40 THR 41 ALA 42 VAL 43 LEU 44 LYS 45 PHE 46 ALA 47 ALA 48 GLU 49 GLU 50 PHE 51 LYS 52 VAL 53 PRO 54 ALA 55 ALA 56 THR 57 SER 58 ALA 59 ILE 60 ILE 61 THR 62 ASN 63 ASP 64 GLY 65 VAL 66 GLY 67 VAL 68 ASN 69 PRO 70 ALA 71 GLN 72 PRO 73 ALA 74 GLY 75 ASN 76 ILE 77 PHE 78 LEU 79 LYS 80 HIS 81 GLY 82 SER 83 GLU 84 LEU 85 ARG 86 LEU 87 ILE 88 PRO 89 ARG 90 ASP 91 ARG 92 VAL 93 GLY 94 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-06-15 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 1L7Y "Solution Nmr Structure Of C. Elegans Protein Zk652.3. Northeast Structural Genomics Consortium Target Wr41." 100.00 94 100.00 100.00 6.10e-59 EMBL CCD62548 "Protein UFM-1 [Caenorhabditis elegans]" 100.00 94 100.00 100.00 6.10e-59 GB AAG50218 "3H949 [Caenorhabditis elegans]" 100.00 94 100.00 100.00 6.10e-59 REF NP_498705 "Protein TAG-277 [Caenorhabditis elegans]" 100.00 94 100.00 100.00 6.10e-59 SP P34661 "RecName: Full=Ubiquitin-fold modifier 1; Flags: Precursor [Caenorhabditis elegans]" 100.00 94 100.00 100.00 6.10e-59 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ZK652.3 'C. elegans' 6239 Eukaryota Metazoa Caenorhabditis elegans 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 $ZK652.3 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3)pLysS pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ZK652.3 0.9 mM '[U-99% 15N]' 'ammonium acetate' 10 mm . 'sodium chloride' 50 mm . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ZK652.3 0.9 mM '[U-99% 13C; U-99% 15N]' 'ammonium acetate' 10 mm . 'sodium chloride' 50 mm . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ZK652.3 0.9 mM '[U-10% 13C; U-99% 15N]' 'ammonium acetate' 10 mm . 'sodium chloride' 50 mm . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 98 loop_ _Task processing assignment stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model UNITY _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model INOVA _Field_strength 750 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label . save_ save_3D_1H-15N_NOESY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY-HSQC' _Sample_label . save_ save_3D_HNHA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label . save_ save_2D_1H-13C_HSQC_(aliph)_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC (aliph)' _Sample_label . save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_CBCACOCAHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACOCAHA _Sample_label . save_ save_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HCC-TOCSY-NNH_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY-NNH _Sample_label . save_ save_CCC-TOCSY-NNH_11 _Saveframe_category NMR_applied_experiment _Experiment_name CCC-TOCSY-NNH _Sample_label . save_ save_3D_CN-NOESY-HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CN-NOESY-HSQC' _Sample_label . save_ save_4D_CC-NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '4D CC-NOESY' _Sample_label . save_ save_2D_1H-13C_HSQC_(alpha)_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC (alpha)' _Sample_label . save_ save_2D_1H-13C_HSQC_(alpha_Sens._Enhanced)_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC (alpha Sens. Enhanced)' _Sample_label . save_ save_2D_1H-13C_HSQC_(arom)_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC (arom)' _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 0.05 n/a temperature 298 1 K 'ionic strength' 0.06 0.005 M 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name ZK652.3 _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 C C 176.1 0.1 1 2 . 1 MET CA C 55.6 0.1 1 3 . 1 MET CB C 33.0 0.1 1 4 . 2 SER H H 8.34 0.01 1 5 . 2 SER C C 174.9 0.1 1 6 . 2 SER CA C 58.4 0.1 1 7 . 2 SER CB C 63.9 0.1 1 8 . 2 SER N N 117.1 0.1 1 9 . 3 GLY H H 8.45 0.01 1 10 . 3 GLY C C 174.6 0.1 1 11 . 3 GLY CA C 45.4 0.1 1 12 . 3 GLY N N 110.9 0.1 1 13 . 4 GLY H H 8.29 0.01 1 14 . 4 GLY CA C 45.4 0.1 1 15 . 5 THR C C 174.5 0.1 1 16 . 5 THR CA C 61.8 0.1 1 17 . 5 THR CB C 69.9 0.1 1 18 . 6 ALA H H 8.33 0.01 1 19 . 6 ALA C C 177.5 0.1 1 20 . 6 ALA CA C 52.6 0.1 1 21 . 6 ALA CB C 19.1 0.1 1 22 . 6 ALA N N 123.2 0.1 1 23 . 7 ALA H H 8.26 0.01 1 24 . 7 ALA C C 178.1 0.1 1 25 . 7 ALA CA C 52.7 0.1 1 26 . 7 ALA CB C 19.3 0.1 1 27 . 7 ALA N N 123.2 0.1 1 28 . 8 THR H H 8.11 0.01 1 29 . 8 THR C C 174.9 0.1 1 30 . 8 THR CA C 61.7 0.1 1 31 . 8 THR CB C 69.7 0.1 1 32 . 8 THR N N 112.9 0.1 1 33 . 9 THR H H 8.09 0.01 1 34 . 9 THR C C 174.4 0.1 1 35 . 9 THR CA C 61.8 0.1 1 36 . 9 THR CB C 69.9 0.1 1 37 . 9 THR N N 115.9 0.1 1 38 . 10 ALA H H 8.35 0.01 1 39 . 10 ALA C C 178.1 0.1 1 40 . 10 ALA CA C 52.8 0.1 1 41 . 10 ALA CB C 19.3 0.1 1 42 . 10 ALA N N 126.6 0.1 1 43 . 11 GLY H H 8.36 0.01 1 44 . 11 GLY C C 174.1 0.1 1 45 . 11 GLY CA C 45.2 0.1 1 46 . 11 GLY N N 108.3 0.1 1 47 . 12 SER H H 8.30 0.01 1 48 . 12 SER HA H 4.44 0.01 1 49 . 12 SER HB2 H 3.85 0.01 1 50 . 12 SER HB3 H 3.85 0.01 1 51 . 12 SER C C 174.0 0.1 1 52 . 12 SER CA C 58.6 0.1 1 53 . 12 SER CB C 63.9 0.1 1 54 . 12 SER N N 116.1 0.1 1 55 . 13 LYS H H 8.28 0.01 1 56 . 13 LYS HA H 4.69 0.01 1 57 . 13 LYS HB2 H 1.41 0.01 2 58 . 13 LYS HB3 H 1.47 0.01 2 59 . 13 LYS HG2 H 0.95 0.01 2 60 . 13 LYS HG3 H 1.35 0.01 2 61 . 13 LYS HD2 H 1.38 0.01 2 62 . 13 LYS HE2 H 2.83 0.01 2 63 . 13 LYS C C 176.0 0.1 1 64 . 13 LYS CA C 55.5 0.1 1 65 . 13 LYS CB C 34.9 0.1 1 66 . 13 LYS CG C 25.3 0.1 1 67 . 13 LYS CD C 29.1 0.1 1 68 . 13 LYS N N 122.0 0.1 1 69 . 14 VAL H H 8.72 0.01 1 70 . 14 VAL HA H 4.01 0.01 1 71 . 14 VAL HB H 1.07 0.01 1 72 . 14 VAL HG1 H 0.39 0.01 1 73 . 14 VAL HG2 H 0.56 0.01 1 74 . 14 VAL C C 173.9 0.1 1 75 . 14 VAL CA C 59.2 0.1 1 76 . 14 VAL CB C 33.7 0.1 1 77 . 14 VAL CG1 C 23.0 0.1 1 78 . 14 VAL CG2 C 19.7 0.1 1 79 . 14 VAL N N 116.1 0.1 1 80 . 15 THR H H 7.27 0.01 1 81 . 15 THR HA H 5.05 0.01 1 82 . 15 THR HB H 3.63 0.01 1 83 . 15 THR HG2 H 0.99 0.01 1 84 . 15 THR C C 173.1 0.1 1 85 . 15 THR CA C 61.5 0.1 1 86 . 15 THR CB C 70.9 0.1 1 87 . 15 THR CG2 C 22.0 0.1 1 88 . 15 THR N N 118.2 0.1 1 89 . 16 PHE H H 9.10 0.01 1 90 . 16 PHE HA H 5.45 0.01 1 91 . 16 PHE HB2 H 2.68 0.01 2 92 . 16 PHE HB3 H 3.24 0.01 2 93 . 16 PHE HD1 H 7.44 0.01 3 94 . 16 PHE HE1 H 7.33 0.01 3 95 . 16 PHE HZ H 7.74 0.01 1 96 . 16 PHE C C 173.8 0.1 1 97 . 16 PHE CA C 56.6 0.1 1 98 . 16 PHE CB C 43.7 0.1 1 99 . 16 PHE CD1 C 132.7 0.1 3 100 . 16 PHE CE1 C 131.1 0.1 3 101 . 16 PHE CZ C 129.4 0.1 1 102 . 16 PHE N N 122.9 0.1 1 103 . 17 LYS H H 9.21 0.01 1 104 . 17 LYS HA H 5.12 0.01 1 105 . 17 LYS HB2 H 1.64 0.01 2 106 . 17 LYS HB3 H 1.73 0.01 2 107 . 17 LYS HG2 H 1.10 0.01 2 108 . 17 LYS HG3 H 1.27 0.01 2 109 . 17 LYS HE2 H 1.82 0.01 2 110 . 17 LYS HE3 H 2.16 0.01 2 111 . 17 LYS C C 175.1 0.1 1 112 . 17 LYS CA C 55.5 0.1 1 113 . 17 LYS CB C 34.6 0.1 1 114 . 17 LYS CG C 25.2 0.1 1 115 . 17 LYS CD C 29.5 0.1 1 116 . 17 LYS CE C 41.1 0.1 1 117 . 17 LYS N N 123.4 0.1 1 118 . 18 ILE H H 9.33 0.01 1 119 . 18 ILE HA H 5.03 0.01 1 120 . 18 ILE HB H 1.99 0.01 1 121 . 18 ILE HG12 H 1.22 0.01 2 122 . 18 ILE HG13 H 1.57 0.01 2 123 . 18 ILE HG2 H 0.88 0.01 1 124 . 18 ILE HD1 H 0.80 0.01 1 125 . 18 ILE C C 175.5 0.1 1 126 . 18 ILE CA C 59.7 0.1 1 127 . 18 ILE CB C 39.6 0.1 1 128 . 18 ILE CG1 C 28.0 0.1 1 129 . 18 ILE CG2 C 19.1 0.1 1 130 . 18 ILE CD1 C 13.4 0.1 1 131 . 18 ILE N N 126.8 0.1 1 132 . 19 THR H H 8.53 0.01 1 133 . 19 THR HA H 5.01 0.01 1 134 . 19 THR HB H 3.91 0.01 1 135 . 19 THR HG2 H 1.06 0.01 1 136 . 19 THR C C 173.5 0.1 1 137 . 19 THR CA C 62.5 0.1 1 138 . 19 THR CB C 70.7 0.1 1 139 . 19 THR CG2 C 21.8 0.1 1 140 . 19 THR N N 124.1 0.1 1 141 . 20 LEU H H 8.39 0.01 1 142 . 20 LEU HA H 4.48 0.01 1 143 . 20 LEU HB2 H -0.39 0.01 2 144 . 20 LEU HB3 H 1.49 0.01 2 145 . 20 LEU HG H 1.19 0.01 1 146 . 20 LEU HD1 H 0.60 0.01 1 147 . 20 LEU HD2 H 0.69 0.01 1 148 . 20 LEU CA C 54.0 0.1 1 149 . 20 LEU CB C 41.1 0.1 1 150 . 20 LEU CG C 27.4 0.1 1 151 . 20 LEU CD1 C 23.7 0.1 1 152 . 20 LEU CD2 C 26.2 0.1 1 153 . 20 LEU N N 130.0 0.1 1 154 . 21 THR H H 7.69 0.01 1 155 . 21 THR HA H 4.15 0.01 1 156 . 21 THR HB H 4.23 0.01 1 157 . 21 THR HG2 H 1.17 0.01 1 158 . 21 THR C C 175.3 0.1 1 159 . 21 THR CA C 64.1 0.1 1 160 . 21 THR CB C 68.6 0.1 1 161 . 21 THR CG2 C 22.6 0.1 1 162 . 22 SER H H 7.46 0.01 1 163 . 22 SER HA H 4.24 0.01 1 164 . 22 SER HB2 H 3.62 0.01 2 165 . 22 SER HB3 H 4.02 0.01 2 166 . 22 SER C C 173.2 0.1 1 167 . 22 SER CA C 58.6 0.1 1 168 . 22 SER CB C 62.8 0.1 1 169 . 22 SER N N 112.2 0.1 1 170 . 23 ASP H H 6.81 0.01 1 171 . 23 ASP HA H 5.09 0.01 1 172 . 23 ASP HB2 H 2.40 0.01 2 173 . 23 ASP HB3 H 2.70 0.01 2 174 . 23 ASP CA C 50.4 0.1 1 175 . 23 ASP CB C 44.0 0.1 1 176 . 23 ASP N N 122.9 0.1 1 177 . 24 PRO HA H 4.43 0.01 1 178 . 24 PRO HB2 H 2.02 0.01 2 179 . 24 PRO HB3 H 2.38 0.01 2 180 . 24 PRO HG2 H 2.03 0.01 2 181 . 24 PRO HD2 H 3.82 0.01 2 182 . 24 PRO HD3 H 3.89 0.01 2 183 . 24 PRO C C 178.0 0.1 1 184 . 24 PRO CA C 64.2 0.1 1 185 . 24 PRO CB C 32.2 0.1 1 186 . 24 PRO CG C 26.9 0.1 1 187 . 24 PRO CD C 51.1 0.1 1 188 . 25 LYS H H 8.72 0.01 1 189 . 25 LYS HA H 4.18 0.01 1 190 . 25 LYS HB2 H 1.77 0.01 2 191 . 25 LYS HB3 H 1.84 0.01 2 192 . 25 LYS HG2 H 1.44 0.01 2 193 . 25 LYS HD2 H 1.70 0.01 2 194 . 25 LYS CA C 57.1 0.1 1 195 . 25 LYS CB C 31.5 0.1 1 196 . 25 LYS CG C 25.5 0.1 1 197 . 25 LYS CD C 28.7 0.1 1 198 . 25 LYS N N 118.0 0.1 1 199 . 28 PHE HB2 H 2.82 0.01 2 200 . 28 PHE HB3 H 3.12 0.01 2 201 . 28 PHE HD1 H 7.13 0.01 3 202 . 28 PHE HE1 H 7.41 0.01 3 203 . 28 PHE C C 174.9 0.1 1 204 . 28 PHE CA C 55.0 0.1 1 205 . 28 PHE CB C 43.1 0.1 1 206 . 28 PHE CD1 C 132.9 0.1 1 207 . 29 LYS H H 9.05 0.01 1 208 . 29 LYS HA H 4.75 0.01 1 209 . 29 LYS HB2 H 1.41 0.01 2 210 . 29 LYS HB3 H 1.67 0.01 2 211 . 29 LYS HG2 H 0.75 0.01 2 212 . 29 LYS HG3 H 0.99 0.01 2 213 . 29 LYS HD2 H 1.25 0.01 2 214 . 29 LYS HD3 H 1.49 0.01 2 215 . 29 LYS HE2 H 2.46 0.01 1 216 . 29 LYS HE3 H 2.46 0.01 1 217 . 29 LYS C C 175.2 0.1 1 218 . 29 LYS CA C 53.7 0.1 1 219 . 29 LYS CB C 36.1 0.1 1 220 . 29 LYS CG C 24.8 0.1 1 221 . 29 LYS CD C 27.8 0.1 1 222 . 29 LYS CE C 41.8 0.1 1 223 . 29 LYS N N 120.1 0.1 1 224 . 30 VAL H H 8.71 0.01 1 225 . 30 VAL HA H 5.28 0.01 1 226 . 30 VAL HB H 2.02 0.01 1 227 . 30 VAL HG1 H 0.88 0.01 2 228 . 30 VAL HG2 H 1.12 0.01 2 229 . 30 VAL C C 175.6 0.1 1 230 . 30 VAL CA C 61.5 0.1 1 231 . 30 VAL CB C 33.0 0.1 1 232 . 30 VAL CG1 C 21.1 0.1 2 233 . 30 VAL CG2 C 21.7 0.1 2 234 . 30 VAL N N 124.3 0.1 1 235 . 31 LEU H H 9.14 0.01 1 236 . 31 LEU HA H 4.79 0.01 1 237 . 31 LEU HB2 H 1.51 0.01 1 238 . 31 LEU HB3 H 1.51 0.01 1 239 . 31 LEU HG H 1.49 0.01 1 240 . 31 LEU HD1 H 0.68 0.01 1 241 . 31 LEU HD2 H 0.79 0.01 1 242 . 31 LEU C C 174.5 0.1 1 243 . 31 LEU CA C 54.1 0.1 1 244 . 31 LEU CB C 45.6 0.1 1 245 . 31 LEU CG C 27.4 0.1 1 246 . 31 LEU CD1 C 25.4 0.1 1 247 . 31 LEU CD2 C 25.8 0.1 1 248 . 31 LEU N N 128.0 0.1 1 249 . 32 SER H H 8.57 0.01 1 250 . 32 SER HA H 5.69 0.01 1 251 . 32 SER HB2 H 3.53 0.01 1 252 . 32 SER HB3 H 3.53 0.01 1 253 . 32 SER C C 174.4 0.1 1 254 . 32 SER CA C 56.7 0.1 1 255 . 32 SER CB C 64.3 0.1 1 256 . 32 SER N N 118.6 0.1 1 257 . 33 VAL H H 8.91 0.01 1 258 . 33 VAL HA H 5.03 0.01 1 259 . 33 VAL HB H 2.31 0.01 1 260 . 33 VAL HG1 H 0.95 0.01 1 261 . 33 VAL HG2 H 0.83 0.01 1 262 . 33 VAL CA C 57.5 0.1 1 263 . 33 VAL CB C 34.4 0.1 1 264 . 33 VAL CG1 C 22.6 0.1 1 265 . 33 VAL CG2 C 18.4 0.1 1 266 . 33 VAL N N 117.6 0.1 1 267 . 34 PRO HA H 4.62 0.01 1 268 . 34 PRO HB2 H 2.17 0.01 2 269 . 34 PRO HB3 H 2.54 0.01 2 270 . 34 PRO HG2 H 1.90 0.01 1 271 . 34 PRO HD2 H 3.70 0.01 1 272 . 34 PRO HD3 H 3.87 0.01 1 273 . 34 PRO C C 179.0 0.1 1 274 . 34 PRO CA C 63.2 0.1 1 275 . 34 PRO CB C 32.2 0.1 1 276 . 34 PRO CG C 28.1 0.1 1 277 . 34 PRO CD C 50.7 0.1 1 278 . 35 GLU H H 8.83 0.01 1 279 . 35 GLU HA H 3.87 0.01 1 280 . 35 GLU HB2 H 2.03 0.01 2 281 . 35 GLU HB3 H 2.12 0.01 2 282 . 35 GLU HG2 H 2.31 0.01 2 283 . 35 GLU HG3 H 2.34 0.01 2 284 . 35 GLU C C 176.1 0.1 1 285 . 35 GLU CA C 59.6 0.1 1 286 . 35 GLU CB C 29.5 0.1 1 287 . 35 GLU CG C 35.8 0.1 1 288 . 35 GLU N N 122.7 0.1 1 289 . 36 SER H H 7.86 0.01 1 290 . 36 SER HA H 4.49 0.01 1 291 . 36 SER HB2 H 4.15 0.01 1 292 . 36 SER HB3 H 4.15 0.01 1 293 . 36 SER C C 175.0 0.1 1 294 . 36 SER CA C 58.5 0.1 1 295 . 36 SER CB C 63.5 0.1 1 296 . 36 SER N N 109.7 0.1 1 297 . 37 THR H H 7.89 0.01 1 298 . 37 THR HA H 4.29 0.01 1 299 . 37 THR HB H 4.03 0.01 1 300 . 37 THR HG2 H 1.35 0.01 1 301 . 37 THR CA C 62.3 0.1 1 302 . 37 THR CB C 71.0 0.1 1 303 . 37 THR CG2 C 20.8 0.1 1 304 . 37 THR N N 122.9 0.1 1 305 . 38 PRO HA H 4.54 0.01 1 306 . 38 PRO HB2 H 2.11 0.01 2 307 . 38 PRO HB3 H 2.36 0.01 2 308 . 38 PRO HG2 H 2.10 0.01 2 309 . 38 PRO HG3 H 2.18 0.01 2 310 . 38 PRO HD2 H 3.88 0.01 2 311 . 38 PRO HD3 H 4.05 0.01 2 312 . 38 PRO C C 178.4 0.1 1 313 . 38 PRO CA C 63.0 0.1 1 314 . 38 PRO CB C 32.0 0.1 1 315 . 38 PRO CG C 27.9 0.1 1 316 . 38 PRO CD C 50.9 0.1 1 317 . 39 PHE H H 9.34 0.01 1 318 . 39 PHE HA H 4.00 0.01 1 319 . 39 PHE HB2 H 3.01 0.01 2 320 . 39 PHE HB3 H 3.58 0.01 2 321 . 39 PHE HD1 H 6.78 0.01 3 322 . 39 PHE HE1 H 6.30 0.01 3 323 . 39 PHE HZ H 6.50 0.01 1 324 . 39 PHE C C 176.8 0.1 1 325 . 39 PHE CA C 62.3 0.1 1 326 . 39 PHE CB C 38.9 0.1 1 327 . 39 PHE CD1 C 131.4 0.1 3 328 . 39 PHE CE1 C 130.3 0.1 3 329 . 39 PHE CZ C 128.5 0.1 1 330 . 39 PHE N N 126.4 0.1 1 331 . 40 THR H H 7.95 0.01 1 332 . 40 THR HA H 3.73 0.01 1 333 . 40 THR HB H 4.15 0.01 1 334 . 40 THR HG2 H 1.28 0.01 1 335 . 40 THR C C 176.3 0.1 1 336 . 40 THR CA C 65.2 0.1 1 337 . 40 THR CB C 68.2 0.1 1 338 . 40 THR CG2 C 22.8 0.1 1 339 . 40 THR N N 112.6 0.1 1 340 . 41 ALA H H 7.81 0.01 1 341 . 41 ALA HA H 4.06 0.01 1 342 . 41 ALA HB H 1.39 0.01 1 343 . 41 ALA C C 179.9 0.1 1 344 . 41 ALA CA C 54.9 0.1 1 345 . 41 ALA CB C 18.3 0.1 1 346 . 41 ALA N N 123.7 0.1 1 347 . 42 VAL H H 7.01 0.01 1 348 . 42 VAL HA H 3.32 0.01 1 349 . 42 VAL HB H 0.96 0.01 1 350 . 42 VAL HG1 H 0.39 0.01 1 351 . 42 VAL HG2 H 0.71 0.01 1 352 . 42 VAL C C 176.7 0.1 1 353 . 42 VAL CA C 65.9 0.1 1 354 . 42 VAL CB C 30.2 0.1 1 355 . 42 VAL CG1 C 21.3 0.1 1 356 . 42 VAL CG2 C 22.9 0.1 1 357 . 42 VAL N N 119.6 0.1 1 358 . 43 LEU H H 7.40 0.01 1 359 . 43 LEU HA H 3.69 0.01 1 360 . 43 LEU HB2 H 1.28 0.01 1 361 . 43 LEU HB3 H 1.76 0.01 1 362 . 43 LEU HG H 1.48 0.01 1 363 . 43 LEU HD1 H 0.87 0.01 1 364 . 43 LEU HD2 H 0.91 0.01 1 365 . 43 LEU C C 177.4 0.1 1 366 . 43 LEU CA C 58.9 0.1 1 367 . 43 LEU CB C 42.0 0.1 1 368 . 43 LEU CG C 28.1 0.1 1 369 . 43 LEU CD1 C 24.4 0.1 1 370 . 43 LEU CD2 C 25.0 0.1 1 371 . 43 LEU N N 119.5 0.1 1 372 . 44 LYS H H 7.65 0.01 1 373 . 44 LYS HA H 3.79 0.01 1 374 . 44 LYS HB2 H 1.62 0.01 2 375 . 44 LYS HB3 H 1.80 0.01 2 376 . 44 LYS HG2 H 1.29 0.01 2 377 . 44 LYS HG3 H 1.41 0.01 2 378 . 44 LYS HD2 H 1.59 0.01 2 379 . 44 LYS HE2 H 2.93 0.01 2 380 . 44 LYS C C 178.1 0.1 1 381 . 44 LYS CA C 60.2 0.1 1 382 . 44 LYS CB C 32.5 0.1 1 383 . 44 LYS CG C 25.1 0.1 1 384 . 44 LYS CD C 29.5 0.1 1 385 . 44 LYS CE C 42.0 0.1 1 386 . 44 LYS N N 117.5 0.1 1 387 . 45 PHE H H 7.71 0.01 1 388 . 45 PHE HA H 4.44 0.01 1 389 . 45 PHE HB2 H 3.12 0.01 2 390 . 45 PHE HB3 H 3.18 0.01 2 391 . 45 PHE HD1 H 7.12 0.01 3 392 . 45 PHE C C 177.8 0.1 1 393 . 45 PHE CA C 59.9 0.1 1 394 . 45 PHE CB C 39.1 0.1 1 395 . 45 PHE CD1 C 131.5 0.1 3 396 . 45 PHE N N 118.1 0.1 1 397 . 46 ALA H H 8.66 0.01 1 398 . 46 ALA HA H 3.55 0.01 1 399 . 46 ALA HB H 1.38 0.01 1 400 . 46 ALA C C 178.0 0.1 1 401 . 46 ALA CA C 55.4 0.1 1 402 . 46 ALA CB C 17.9 0.1 1 403 . 46 ALA N N 120.8 0.1 1 404 . 47 ALA H H 8.63 0.01 1 405 . 47 ALA HA H 3.92 0.01 1 406 . 47 ALA HB H 1.47 0.01 1 407 . 47 ALA C C 179.6 0.1 1 408 . 47 ALA CA C 55.5 0.1 1 409 . 47 ALA CB C 16.8 0.1 1 410 . 47 ALA N N 119.1 0.1 1 411 . 48 GLU H H 8.03 0.01 1 412 . 48 GLU HA H 4.10 0.01 1 413 . 48 GLU HB2 H 1.98 0.01 2 414 . 48 GLU HB3 H 2.17 0.01 2 415 . 48 GLU HG2 H 2.26 0.01 2 416 . 48 GLU HG3 H 2.49 0.01 2 417 . 48 GLU C C 180.5 0.1 1 418 . 48 GLU CA C 59.2 0.1 1 419 . 48 GLU CB C 29.0 0.1 1 420 . 48 GLU CG C 36.4 0.1 1 421 . 48 GLU N N 116.4 0.1 1 422 . 49 GLU H H 8.06 0.01 1 423 . 49 GLU HA H 3.89 0.01 1 424 . 49 GLU HB2 H 1.45 0.01 2 425 . 49 GLU HB3 H 1.60 0.01 2 426 . 49 GLU HG2 H 1.54 0.01 2 427 . 49 GLU HG3 H 1.76 0.01 2 428 . 49 GLU C C 178.7 0.1 1 429 . 49 GLU CA C 58.9 0.1 1 430 . 49 GLU CB C 29.1 0.1 1 431 . 49 GLU CG C 35.8 0.1 1 432 . 49 GLU N N 120.0 0.1 1 433 . 50 PHE H H 8.05 0.01 1 434 . 50 PHE HA H 4.62 0.01 1 435 . 50 PHE HB2 H 2.80 0.01 2 436 . 50 PHE HB3 H 3.42 0.01 2 437 . 50 PHE HD1 H 7.22 0.01 3 438 . 50 PHE HE1 H 6.99 0.01 3 439 . 50 PHE C C 174.1 0.1 1 440 . 50 PHE CA C 58.4 0.1 1 441 . 50 PHE CB C 39.7 0.1 1 442 . 50 PHE CD1 C 132.3 0.1 3 443 . 50 PHE CE1 C 130.1 0.1 3 444 . 50 PHE N N 116.0 0.1 1 445 . 51 LYS H H 7.93 0.01 1 446 . 51 LYS HA H 3.91 0.01 1 447 . 51 LYS HB2 H 1.85 0.01 2 448 . 51 LYS HB3 H 2.18 0.01 2 449 . 51 LYS HG2 H 1.32 0.01 1 450 . 51 LYS HG3 H 1.32 0.01 1 451 . 51 LYS HD2 H 1.74 0.01 1 452 . 51 LYS HD3 H 1.74 0.01 1 453 . 51 LYS HE2 H 3.02 0.01 1 454 . 51 LYS HE3 H 3.02 0.01 1 455 . 51 LYS C C 175.9 0.1 1 456 . 51 LYS CA C 57.0 0.1 1 457 . 51 LYS CB C 28.6 0.1 1 458 . 51 LYS CG C 24.7 0.1 1 459 . 51 LYS CD C 28.9 0.1 1 460 . 51 LYS CE C 42.4 0.1 1 461 . 51 LYS N N 116.8 0.1 1 462 . 52 VAL H H 8.21 0.01 1 463 . 52 VAL HA H 4.86 0.01 1 464 . 52 VAL HB H 2.02 0.01 1 465 . 52 VAL HG1 H 0.83 0.01 1 466 . 52 VAL HG2 H 0.71 0.01 1 467 . 52 VAL CA C 57.8 0.1 1 468 . 52 VAL CB C 32.7 0.1 1 469 . 52 VAL CG1 C 21.8 0.1 1 470 . 52 VAL CG2 C 19.1 0.1 1 471 . 52 VAL N N 112.9 0.1 1 472 . 53 PRO HA H 4.38 0.01 1 473 . 53 PRO HB2 H 2.09 0.01 2 474 . 53 PRO HB3 H 2.30 0.01 2 475 . 53 PRO HG2 H 1.89 0.01 2 476 . 53 PRO HD2 H 3.43 0.01 2 477 . 53 PRO HD3 H 3.76 0.01 2 478 . 53 PRO C C 179.1 0.1 1 479 . 53 PRO CA C 62.6 0.1 1 480 . 53 PRO CB C 31.3 0.1 1 481 . 53 PRO CG C 27.9 0.1 1 482 . 53 PRO CD C 50.7 0.1 1 483 . 54 ALA H H 8.97 0.01 1 484 . 54 ALA HA H 3.71 0.01 1 485 . 54 ALA HB H 1.40 0.01 1 486 . 54 ALA C C 180.0 0.1 1 487 . 54 ALA CA C 55.5 0.1 1 488 . 54 ALA CB C 18.2 0.1 1 489 . 54 ALA N N 130.9 0.1 1 490 . 55 ALA H H 8.60 0.01 1 491 . 55 ALA HA H 4.16 0.01 1 492 . 55 ALA HB H 1.48 0.01 1 493 . 55 ALA C C 178.9 0.1 1 494 . 55 ALA CA C 54.7 0.1 1 495 . 55 ALA CB C 19.0 0.1 1 496 . 55 ALA N N 115.6 0.1 1 497 . 56 THR H H 6.92 0.01 1 498 . 56 THR HA H 4.52 0.01 1 499 . 56 THR HB H 4.65 0.01 1 500 . 56 THR HG2 H 1.11 0.01 1 501 . 56 THR C C 174.1 0.1 1 502 . 56 THR CA C 60.1 0.1 1 503 . 56 THR CB C 68.2 0.1 1 504 . 56 THR CG2 C 21.6 0.1 1 505 . 56 THR N N 102.3 0.1 1 506 . 57 SER H H 7.27 0.01 1 507 . 57 SER HA H 5.04 0.01 1 508 . 57 SER HB2 H 3.55 0.01 1 509 . 57 SER HB3 H 3.67 0.01 1 510 . 57 SER C C 171.3 0.1 1 511 . 57 SER CA C 59.3 0.1 1 512 . 57 SER CB C 65.7 0.1 1 513 . 57 SER N N 118.2 0.1 1 514 . 58 ALA H H 8.89 0.01 1 515 . 58 ALA HA H 4.62 0.01 1 516 . 58 ALA HB H 1.29 0.01 1 517 . 58 ALA C C 174.7 0.1 1 518 . 58 ALA CA C 50.8 0.1 1 519 . 58 ALA CB C 22.3 0.1 1 520 . 58 ALA N N 124.9 0.1 1 521 . 59 ILE H H 8.78 0.01 1 522 . 59 ILE HA H 5.39 0.01 1 523 . 59 ILE HB H 1.78 0.01 1 524 . 59 ILE HG12 H 1.30 0.01 2 525 . 59 ILE HG13 H 1.52 0.01 2 526 . 59 ILE HG2 H 0.86 0.01 1 527 . 59 ILE HD1 H 0.75 0.01 1 528 . 59 ILE C C 175.2 0.1 1 529 . 59 ILE CA C 58.3 0.1 1 530 . 59 ILE CB C 38.2 0.1 1 531 . 59 ILE CG1 C 27.8 0.1 1 532 . 59 ILE CG2 C 19.4 0.1 1 533 . 59 ILE CD1 C 12.1 0.1 1 534 . 59 ILE N N 120.1 0.1 1 535 . 60 ILE H H 8.96 0.01 1 536 . 60 ILE HA H 5.31 0.01 1 537 . 60 ILE HB H 1.59 0.01 1 538 . 60 ILE HG12 H 0.89 0.01 2 539 . 60 ILE HG13 H 1.37 0.01 2 540 . 60 ILE HG2 H 0.72 0.01 1 541 . 60 ILE HD1 H 0.78 0.01 1 542 . 60 ILE C C 175.8 0.1 1 543 . 60 ILE CA C 58.4 0.1 1 544 . 60 ILE CB C 42.8 0.1 1 545 . 60 ILE CG1 C 26.1 0.1 1 546 . 60 ILE CG2 C 16.9 0.1 1 547 . 60 ILE CD1 C 13.7 0.1 1 548 . 60 ILE N N 120.9 0.1 1 549 . 61 THR H H 8.51 0.01 1 550 . 61 THR HA H 4.57 0.01 1 551 . 61 THR HB H 4.77 0.01 1 552 . 61 THR HG2 H 0.81 0.01 1 553 . 61 THR C C 177.3 0.1 1 554 . 61 THR CA C 60.6 0.1 1 555 . 61 THR CB C 71.1 0.1 1 556 . 61 THR CG2 C 21.9 0.1 1 557 . 61 THR N N 110.6 0.1 1 558 . 62 ASN H H 9.49 0.01 1 559 . 62 ASN HA H 4.36 0.01 1 560 . 62 ASN HB2 H 2.86 0.01 2 561 . 62 ASN HB3 H 2.90 0.01 2 562 . 62 ASN HD21 H 6.84 0.01 2 563 . 62 ASN HD22 H 7.61 0.01 2 564 . 62 ASN C C 175.9 0.1 1 565 . 62 ASN CA C 55.9 0.1 1 566 . 62 ASN CB C 37.8 0.1 1 567 . 62 ASN N N 119.8 0.1 1 568 . 62 ASN ND2 N 111.8 0.1 2 569 . 63 ASP H H 8.01 0.01 1 570 . 63 ASP HA H 4.72 0.01 1 571 . 63 ASP HB2 H 2.71 0.01 2 572 . 63 ASP HB3 H 2.75 0.01 2 573 . 63 ASP C C 176.4 0.1 1 574 . 63 ASP CA C 53.4 0.1 1 575 . 63 ASP CB C 40.4 0.1 1 576 . 63 ASP N N 115.0 0.1 1 577 . 64 GLY H H 7.94 0.01 1 578 . 64 GLY HA2 H 3.53 0.01 2 579 . 64 GLY HA3 H 4.16 0.01 2 580 . 64 GLY C C 173.7 0.1 1 581 . 64 GLY CA C 46.0 0.1 1 582 . 64 GLY N N 107.7 0.1 1 583 . 65 VAL H H 7.53 0.01 1 584 . 65 VAL HA H 3.93 0.01 1 585 . 65 VAL HB H 2.01 0.01 1 586 . 65 VAL HG1 H 0.94 0.01 1 587 . 65 VAL HG2 H 0.80 0.01 1 588 . 65 VAL C C 176.0 0.1 1 589 . 65 VAL CA C 62.4 0.1 1 590 . 65 VAL CB C 32.5 0.1 1 591 . 65 VAL CG1 C 20.8 0.1 1 592 . 65 VAL CG2 C 21.7 0.1 1 593 . 65 VAL N N 122.1 0.1 1 594 . 66 GLY H H 8.67 0.01 1 595 . 66 GLY HA2 H 3.60 0.01 2 596 . 66 GLY HA3 H 4.29 0.01 2 597 . 66 GLY C C 173.6 0.1 1 598 . 66 GLY CA C 46.0 0.1 1 599 . 66 GLY N N 113.1 0.1 1 600 . 67 VAL H H 7.98 0.01 1 601 . 67 VAL HA H 3.86 0.01 1 602 . 67 VAL HB H 1.57 0.01 1 603 . 67 VAL HG1 H 0.24 0.01 1 604 . 67 VAL HG2 H 0.34 0.01 1 605 . 67 VAL C C 175.2 0.1 1 606 . 67 VAL CA C 61.0 0.1 1 607 . 67 VAL CB C 33.2 0.1 1 608 . 67 VAL CG1 C 21.3 0.1 1 609 . 67 VAL CG2 C 20.9 0.1 1 610 . 67 VAL N N 123.6 0.1 1 611 . 68 ASN H H 8.63 0.01 1 612 . 68 ASN HA H 4.92 0.01 1 613 . 68 ASN HB2 H 2.89 0.01 2 614 . 68 ASN HB3 H 2.94 0.01 2 615 . 68 ASN HD21 H 7.08 0.01 2 616 . 68 ASN HD22 H 7.70 0.01 2 617 . 68 ASN CA C 50.0 0.1 1 618 . 68 ASN CB C 38.5 0.1 1 619 . 68 ASN N N 126.9 0.1 1 620 . 68 ASN ND2 N 111.9 0.1 1 621 . 69 PRO HA H 4.46 0.01 1 622 . 69 PRO HB2 H 2.09 0.01 2 623 . 69 PRO HG2 H 2.04 0.01 2 624 . 69 PRO HD2 H 3.88 0.01 1 625 . 69 PRO HD3 H 4.32 0.01 1 626 . 69 PRO C C 175.3 0.1 1 627 . 69 PRO CA C 63.7 0.1 1 628 . 69 PRO CB C 32.2 0.1 1 629 . 69 PRO CG C 26.7 0.1 1 630 . 69 PRO CD C 50.6 0.1 1 631 . 70 ALA H H 7.69 0.01 1 632 . 70 ALA HA H 4.61 0.01 1 633 . 70 ALA HB H 1.38 0.01 1 634 . 70 ALA C C 177.3 0.1 1 635 . 70 ALA CA C 51.5 0.1 1 636 . 70 ALA CB C 17.2 0.1 1 637 . 70 ALA N N 122.9 0.1 1 638 . 71 GLN H H 8.21 0.01 1 639 . 71 GLN HA H 4.79 0.01 1 640 . 71 GLN HB2 H 1.96 0.01 2 641 . 71 GLN HB3 H 2.11 0.01 2 642 . 71 GLN HG2 H 2.24 0.01 2 643 . 71 GLN HG3 H 2.28 0.01 2 644 . 71 GLN HE21 H 6.96 0.01 2 645 . 71 GLN HE22 H 8.20 0.01 2 646 . 71 GLN CA C 54.1 0.1 1 647 . 71 GLN CB C 30.7 0.1 1 648 . 71 GLN CG C 34.0 0.1 1 649 . 71 GLN N N 118.2 0.1 1 650 . 71 GLN NE2 N 114.0 0.1 1 651 . 72 PRO HA H 4.54 0.01 1 652 . 72 PRO HB2 H 2.37 0.01 2 653 . 72 PRO HB3 H 2.45 0.01 2 654 . 72 PRO HG2 H 2.11 0.01 2 655 . 72 PRO HD2 H 3.66 0.01 2 656 . 72 PRO HD3 H 3.94 0.01 2 657 . 72 PRO C C 178.2 0.1 1 658 . 72 PRO CA C 62.9 0.1 1 659 . 72 PRO CB C 32.3 0.1 1 660 . 72 PRO CG C 27.8 0.1 1 661 . 72 PRO CD C 50.6 0.1 1 662 . 73 ALA H H 9.58 0.01 1 663 . 73 ALA HA H 4.28 0.01 1 664 . 73 ALA HB H 1.69 0.01 1 665 . 73 ALA C C 180.1 0.1 1 666 . 73 ALA CA C 56.1 0.1 1 667 . 73 ALA CB C 19.1 0.1 1 668 . 73 ALA N N 126.4 0.1 1 669 . 74 GLY H H 10.1 0.01 2 670 . 74 GLY HA2 H 3.89 0.01 2 671 . 74 GLY HA3 H 4.29 0.01 2 672 . 74 GLY C C 175.6 0.1 1 673 . 74 GLY CA C 47.8 0.1 1 674 . 74 GLY N N 104.6 0.1 2 675 . 75 ASN H H 7.48 0.01 1 676 . 75 ASN HA H 4.55 0.01 1 677 . 75 ASN HB2 H 2.86 0.01 2 678 . 75 ASN HB3 H 2.99 0.01 2 679 . 75 ASN HD21 H 7.09 0.01 2 680 . 75 ASN HD22 H 7.77 0.01 2 681 . 75 ASN C C 177.9 0.1 1 682 . 75 ASN CA C 55.9 0.1 1 683 . 75 ASN CB C 37.9 0.1 1 684 . 75 ASN N N 119.7 0.1 1 685 . 75 ASN ND2 N 110.7 0.1 1 686 . 76 ILE H H 7.39 0.01 1 687 . 76 ILE HA H 3.75 0.01 1 688 . 76 ILE HB H 2.11 0.01 1 689 . 76 ILE HG12 H 0.85 0.01 2 690 . 76 ILE HG13 H 1.20 0.01 2 691 . 76 ILE HG2 H 0.48 0.01 1 692 . 76 ILE HD1 H 0.45 0.01 1 693 . 76 ILE C C 177.6 0.1 1 694 . 76 ILE CA C 63.2 0.1 1 695 . 76 ILE CB C 36.1 0.1 1 696 . 76 ILE CG1 C 27.7 0.1 1 697 . 76 ILE CG2 C 17.3 0.1 1 698 . 76 ILE CD1 C 11.4 0.1 1 699 . 76 ILE N N 120.4 0.1 1 700 . 77 PHE H H 8.60 0.01 1 701 . 77 PHE HA H 4.46 0.01 1 702 . 77 PHE HB2 H 3.10 0.01 2 703 . 77 PHE HB3 H 3.15 0.01 2 704 . 77 PHE HD1 H 6.83 0.01 3 705 . 77 PHE HE1 H 7.38 0.01 3 706 . 77 PHE C C 178.4 0.1 1 707 . 77 PHE CA C 61.2 0.1 1 708 . 77 PHE CB C 39.6 0.1 1 709 . 77 PHE CD1 C 131.6 0.1 3 710 . 77 PHE CE1 C 131.4 0.1 3 711 . 77 PHE N N 120.1 0.1 1 712 . 78 LEU H H 7.99 0.01 1 713 . 78 LEU HA H 3.86 0.01 1 714 . 78 LEU HB2 H 1.61 0.01 2 715 . 78 LEU HB3 H 1.85 0.01 2 716 . 78 LEU HG H 1.85 0.01 1 717 . 78 LEU HD1 H 0.94 0.01 2 718 . 78 LEU C C 178.4 0.1 1 719 . 78 LEU CA C 57.8 0.1 1 720 . 78 LEU CB C 42.3 0.1 1 721 . 78 LEU CG C 27.3 0.1 1 722 . 78 LEU CD1 C 23.7 0.1 2 723 . 78 LEU N N 118.9 0.1 1 724 . 79 LYS H H 7.54 0.01 1 725 . 79 LYS HA H 3.99 0.01 1 726 . 79 LYS HB2 H 1.06 0.01 2 727 . 79 LYS HB3 H 1.40 0.01 2 728 . 79 LYS HG2 H 0.87 0.01 2 729 . 79 LYS HG3 H 1.11 0.01 2 730 . 79 LYS HD2 H 1.46 0.01 2 731 . 79 LYS HE2 H 2.87 0.01 2 732 . 79 LYS C C 177.8 0.1 1 733 . 79 LYS CA C 58.1 0.1 1 734 . 79 LYS CB C 33.6 0.1 1 735 . 79 LYS CG C 24.8 0.1 1 736 . 79 LYS CD C 28.6 0.1 1 737 . 79 LYS CE C 41.8 0.1 1 738 . 79 LYS N N 116.0 0.1 1 739 . 80 HIS H H 8.54 0.01 1 740 . 80 HIS HA H 4.89 0.01 1 741 . 80 HIS HB2 H 2.98 0.01 2 742 . 80 HIS HB3 H 3.14 0.01 2 743 . 80 HIS HD2 H 6.70 0.01 1 744 . 80 HIS C C 175.6 0.1 1 745 . 80 HIS CA C 55.5 0.1 1 746 . 80 HIS CB C 31.3 0.1 1 747 . 80 HIS CD2 C 125.3 0.1 1 748 . 80 HIS N N 114.1 0.1 1 749 . 81 GLY H H 7.99 0.01 1 750 . 81 GLY HA2 H 3.33 0.01 2 751 . 81 GLY HA3 H 4.15 0.01 2 752 . 81 GLY C C 171.3 0.1 1 753 . 81 GLY CA C 44.8 0.1 1 754 . 81 GLY N N 111.3 0.1 1 755 . 82 SER H H 7.87 0.01 1 756 . 82 SER HA H 4.75 0.01 1 757 . 82 SER HB2 H 3.91 0.01 2 758 . 82 SER HB3 H 4.17 0.01 2 759 . 82 SER C C 175.8 0.1 1 760 . 82 SER CA C 60.1 0.1 1 761 . 82 SER CB C 66.2 0.1 1 762 . 82 SER N N 107.6 0.1 1 763 . 83 GLU H H 8.22 0.01 1 764 . 83 GLU HA H 5.03 0.01 1 765 . 83 GLU HB2 H 2.00 0.01 2 766 . 83 GLU HB3 H 2.06 0.01 2 767 . 83 GLU HG2 H 2.15 0.01 2 768 . 83 GLU HG3 H 2.40 0.01 2 769 . 83 GLU C C 174.7 0.1 1 770 . 83 GLU CA C 56.8 0.1 1 771 . 83 GLU CB C 29.8 0.1 1 772 . 83 GLU CG C 36.3 0.1 1 773 . 83 GLU N N 120.6 0.1 1 774 . 84 LEU H H 8.68 0.01 1 775 . 84 LEU HA H 4.97 0.01 1 776 . 84 LEU HB2 H 1.53 0.01 2 777 . 84 LEU HB3 H 1.58 0.01 2 778 . 84 LEU HG H 1.69 0.01 1 779 . 84 LEU HD1 H 0.62 0.01 1 780 . 84 LEU HD2 H 0.66 0.01 1 781 . 84 LEU C C 175.7 0.1 1 782 . 84 LEU CA C 53.3 0.1 1 783 . 84 LEU CB C 46.8 0.1 1 784 . 84 LEU CG C 26.7 0.1 1 785 . 84 LEU CD1 C 27.4 0.1 1 786 . 84 LEU CD2 C 22.9 0.1 1 787 . 84 LEU N N 123.9 0.1 1 788 . 85 ARG H H 8.86 0.01 1 789 . 85 ARG HA H 5.20 0.01 1 790 . 85 ARG HB2 H 1.60 0.01 2 791 . 85 ARG HB3 H 1.63 0.01 2 792 . 85 ARG HG2 H 1.48 0.01 2 793 . 85 ARG HG3 H 1.60 0.01 2 794 . 85 ARG HD2 H 3.06 0.01 2 795 . 85 ARG HE H 7.12 0.01 1 796 . 85 ARG C C 173.6 0.1 1 797 . 85 ARG CA C 54.7 0.1 1 798 . 85 ARG CB C 33.0 0.1 1 799 . 85 ARG CG C 27.2 0.1 1 800 . 85 ARG CD C 43.8 0.1 1 801 . 85 ARG N N 119.5 0.1 1 802 . 85 ARG NE N 84.5 0.1 1 803 . 86 LEU H H 8.86 0.01 1 804 . 86 LEU HA H 5.18 0.01 1 805 . 86 LEU HB2 H 1.10 0.01 2 806 . 86 LEU HB3 H 1.58 0.01 2 807 . 86 LEU HG H 1.43 0.01 1 808 . 86 LEU HD1 H 0.79 0.01 1 809 . 86 LEU HD2 H 0.71 0.01 1 810 . 86 LEU C C 175.3 0.1 1 811 . 86 LEU CA C 54.1 0.1 1 812 . 86 LEU CB C 44.6 0.1 1 813 . 86 LEU CG C 28.1 0.1 1 814 . 86 LEU CD1 C 26.0 0.1 1 815 . 86 LEU CD2 C 26.1 0.1 1 816 . 86 LEU N N 124.9 0.1 1 817 . 87 ILE H H 9.17 0.01 1 818 . 87 ILE HA H 4.89 0.01 1 819 . 87 ILE HB H 1.76 0.01 1 820 . 87 ILE HG12 H 0.97 0.01 2 821 . 87 ILE HG13 H 1.36 0.01 2 822 . 87 ILE HG2 H 0.81 0.01 1 823 . 87 ILE HD1 H 0.74 0.01 1 824 . 87 ILE CA C 57.7 0.1 1 825 . 87 ILE CB C 40.9 0.1 1 826 . 87 ILE CG1 C 26.4 0.1 1 827 . 87 ILE CG2 C 17.4 0.1 1 828 . 87 ILE CD1 C 14.1 0.1 1 829 . 87 ILE N N 124.9 0.1 1 830 . 88 PRO HA H 4.82 0.01 1 831 . 88 PRO HB2 H 1.91 0.01 2 832 . 88 PRO HB3 H 2.23 0.01 2 833 . 88 PRO HG2 H 1.87 0.01 2 834 . 88 PRO HG3 H 2.03 0.01 2 835 . 88 PRO HD2 H 3.59 0.01 2 836 . 88 PRO HD3 H 3.76 0.01 2 837 . 88 PRO C C 177.4 0.1 1 838 . 88 PRO CA C 62.3 0.1 1 839 . 88 PRO CB C 30.9 0.1 1 840 . 88 PRO CG C 27.5 0.1 1 841 . 88 PRO CD C 50.9 0.1 1 842 . 89 ARG H H 8.46 0.01 1 843 . 89 ARG HA H 4.08 0.01 1 844 . 89 ARG HB2 H 1.67 0.01 2 845 . 89 ARG HG2 H 1.56 0.01 2 846 . 89 ARG C C 176.4 0.1 1 847 . 89 ARG CA C 57.4 0.1 1 848 . 89 ARG CB C 30.6 0.1 1 849 . 89 ARG CG C 27.1 0.1 1 850 . 89 ARG CD C 43.3 0.1 1 851 . 89 ARG N N 122.8 0.1 1 852 . 90 ASP H H 8.44 0.01 1 853 . 90 ASP HA H 4.53 0.01 1 854 . 90 ASP HB2 H 2.64 0.01 2 855 . 90 ASP C C 176.2 0.1 1 856 . 90 ASP CA C 54.6 0.1 1 857 . 90 ASP CB C 41.0 0.1 1 858 . 90 ASP N N 119.7 0.1 1 859 . 91 ARG H H 8.11 0.01 1 860 . 91 ARG HA H 4.34 0.01 1 861 . 91 ARG C C 176.2 0.1 1 862 . 91 ARG CA C 55.6 0.1 1 863 . 91 ARG CB C 30.6 0.1 1 864 . 91 ARG N N 119.5 0.1 1 865 . 92 VAL H H 7.94 0.01 1 866 . 92 VAL C C 176.7 0.1 1 867 . 92 VAL CA C 63.0 0.1 1 868 . 92 VAL CB C 32.5 0.1 1 869 . 92 VAL N N 121.2 0.1 1 870 . 93 GLY H H 8.55 0.01 1 871 . 93 GLY C C 173.2 0.1 1 872 . 93 GLY CA C 45.3 0.1 1 873 . 93 GLY N N 113.2 0.1 1 874 . 94 HIS H H 7.90 0.01 1 875 . 94 HIS CA C 56.9 0.1 1 876 . 94 HIS CB C 30.1 0.1 1 877 . 94 HIS N N 122.9 0.1 1 stop_ save_