data_5770 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural basis for simultaneous binding of two carboxy-terminal peptides of plant glutamate decarboxylase to calmodulin ; _BMRB_accession_number 5770 _BMRB_flat_file_name bmr5770.str _Entry_type original _Submission_date 2003-03-14 _Accession_date 2003-03-14 _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 Yap Kyoko L. . 2 Yuan Tao . . 3 Mal Tapas K. . 4 Vogel Hans J. . 5 Ikura Mitsu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1229 "13C chemical shifts" 908 "15N chemical shifts" 210 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-05-01 original author . stop_ _Original_release_date 2003-05-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis for simultaneous binding of two carboxy-terminal peptides of plant glutamate decarboxylase to calmodulin ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 12684008 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yap Kyoko L. . 2 Yuan Tao . . 3 Mal Tapas K. . 4 Vogel Hans J. . 5 Ikura Mitsu . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 328 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 193 _Page_last 204 _Year 2003 _Details . loop_ _Keyword calmodulin 'glutamate decarboxylase' dimer peptide stop_ save_ ################################## # Molecular system description # ################################## save_system_CaM-GAD_peptide_complex _Saveframe_category molecular_system _Mol_system_name 'Ca2+/calmodulin-glutamate decarboxylase peptide complex' _Abbreviation_common 'CaM-GAD peptide complex' _Enzyme_commission_number 4.1.1.15 loop_ _Mol_system_component_name _Mol_label calmodulin $calmodulin 'glutamate decarboxylase peptide A' $GAD 'glutamate decarboxylase peptide B' $GAD 'calcium ion I' $CA 'calcium ion II' $CA 'calcium ion III' $CA 'calcium ion IV' $CA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details 'The enzyme commission number 4.1.1.15 is for GAD peptide.' save_ ######################## # Monomeric polymers # ######################## save_calmodulin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Calmodulin _Abbreviation_common CaM _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ASP 3 GLN 4 LEU 5 THR 6 GLU 7 GLU 8 GLN 9 ILE 10 ALA 11 GLU 12 PHE 13 LYS 14 GLU 15 ALA 16 PHE 17 SER 18 LEU 19 PHE 20 ASP 21 LYS 22 ASP 23 GLY 24 ASP 25 GLY 26 THR 27 ILE 28 THR 29 THR 30 LYS 31 GLU 32 LEU 33 GLY 34 THR 35 VAL 36 MET 37 ARG 38 SER 39 LEU 40 GLY 41 GLN 42 ASN 43 PRO 44 THR 45 GLU 46 ALA 47 GLU 48 LEU 49 GLN 50 ASP 51 MET 52 ILE 53 ASN 54 GLU 55 VAL 56 ASP 57 ALA 58 ASP 59 GLY 60 ASN 61 GLY 62 THR 63 ILE 64 ASP 65 PHE 66 PRO 67 GLU 68 PHE 69 LEU 70 THR 71 MET 72 MET 73 ALA 74 ARG 75 LYS 76 MET 77 LYS 78 ASP 79 THR 80 ASP 81 SER 82 GLU 83 GLU 84 GLU 85 ILE 86 ARG 87 GLU 88 ALA 89 PHE 90 ARG 91 VAL 92 PHE 93 ASP 94 LYS 95 ASP 96 GLY 97 ASN 98 GLY 99 TYR 100 ILE 101 SER 102 ALA 103 ALA 104 GLU 105 LEU 106 ARG 107 HIS 108 VAL 109 MET 110 THR 111 ASN 112 LEU 113 GLY 114 GLU 115 LYS 116 LEU 117 THR 118 ASP 119 GLU 120 GLU 121 VAL 122 ASP 123 GLU 124 MET 125 ILE 126 ARG 127 GLU 128 ALA 129 ASP 130 ILE 131 ASP 132 GLY 133 ASP 134 GLY 135 GLN 136 VAL 137 ASN 138 TYR 139 GLU 140 GLU 141 PHE 142 VAL 143 GLN 144 MET 145 MET 146 THR 147 ALA 148 LYS 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 1NWD "Solution Structure Of Ca2+CALMODULIN BOUND TO THE C- Terminal Domain Of Petunia Glutamate Decarboxylase" 100.00 28 100.00 100.00 5.79e-09 GB AAA33709 "glutamate decarboxylase [Petunia x hybrida]" 75.00 500 100.00 100.00 4.19e+00 GB AAA33710 "glutamate decarboxylase [Petunia x hybrida]" 75.00 500 100.00 100.00 4.19e+00 SP Q07346 "RecName: Full=Glutamate decarboxylase; Short=GAD [Petunia x hybrida]" 75.00 500 100.00 100.00 4.19e+00 stop_ save_ save_GAD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Glutamate decarboxylase' _Abbreviation_common GAD _Molecular_mass . _Mol_thiol_state 'not present' _Details "N-terminal 'GS' is a cloning artifact." _Residue_count 28 _Mol_residue_sequence ; GSHKKTDSEVQLEMITAWKK FVEEKKKK ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 LYS 5 LYS 6 THR 7 ASP 8 SER 9 GLU 10 VAL 11 GLN 12 LEU 13 GLU 14 MET 15 ILE 16 THR 17 ALA 18 TRP 19 LYS 20 LYS 21 PHE 22 VAL 23 GLU 24 GLU 25 LYS 26 LYS 27 LYS 28 LYS stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 GenBank AAA33710 'glutamate decarboxylase' 75.00 500 100.00 100.00 4.49e+00 SWISS-PROT Q07346 'Glutamate decarboxylase (GAD)' 75.00 500 100.00 100.00 4.49e+00 PDB 1NWD 'Solution Structure Of Ca2+CALMODULIN BOUND TO THE C- Terminal Domain Of Petunia Glutamate Decarboxylase' 100.00 28 100.00 100.00 1.93e-06 GenBank AAA33709 'glutamate decarboxylase' 75.00 500 100.00 100.00 4.49e+00 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 15:27:54 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $calmodulin 'African clawed frog' 8355 Eukaryota Metazoa Xenopus laevis $GAD 'Petunia hybrida' 4102 Eukaryota Viridiplantae Petunia hybrida stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_type _Vector_name $calmodulin 'recombinant technology' 'E. coli' Escherichia coli AR58 . plasmid pAS $GAD 'recombinant technology' 'E. coli' Escherichia coli BL21 DE3 plasmid pGEX-2T 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 $calmodulin 1.0 mM [U-15N] $GAD 2.2 mM '[U-50% 13C]' KCl 100 mM . CaCl2 10 mM . D2O 9 % . H2O 91 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $calmodulin 1.0 mM '[U-15N; U-13C]' $GAD 2.2 mM '[U-50% 13C]' KCl 100 mM . CaCl2 10 mM . D2O 9 % . H2O 91 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity-Plus _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity-Plus _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H,_15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H, 15N HSQC' _Sample_label . save_ save_1H,_13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H, 13C HSQC' _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HCC-TOCSY-NNH_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY-NNH _Sample_label . save_ save_(HB)CB(CGCD)HD_8 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCD)HD _Sample_label . save_ save_(HB)CB(CGCE)HE_9 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCE)HE _Sample_label . save_ save_3D_simultaneous_13C,15N-edited_NOESY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D simultaneous 13C,15N-edited NOESY-HSQC' _Sample_label . save_ save_13C-edited,_13C-filtered_NOESY-HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited, 13C-filtered NOESY-HSQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H, 15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H, 13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY-NNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCD)HD _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCE)HE _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D simultaneous 13C,15N-edited NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited, 13C-filtered NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 . n/a temperature 308 . 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 TSP H 1 'methyl protons' ppm 0.0 external direct . external parallel 1.0 $entry_citation $entry_citation TSP C 13 'methyl protons' ppm 0.0 external indirect . external parallel 0.2514556137 $entry_citation $entry_citation TSP N 15 'methyl protons' ppm 0.0 external indirect . external parallel 0.1013403477 $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 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name calmodulin _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 ALA CA C 51.9 0.30 1 2 . 1 ALA HA H 4.14 0.02 1 3 . 1 ALA HB H 1.56 0.02 1 4 . 1 ALA CB C 19.4 0.30 1 5 . 2 ASP CA C 54.7 0.30 1 6 . 2 ASP HA H 4.66 0.02 1 7 . 2 ASP CB C 41.5 0.30 1 8 . 2 ASP HB2 H 2.70 0.02 2 9 . 2 ASP HB3 H 2.62 0.02 2 10 . 2 ASP C C 175.6 0.30 1 11 . 3 GLN N N 119.6 0.20 1 12 . 3 GLN H H 8.30 0.02 1 13 . 3 GLN CA C 55.6 0.30 1 14 . 3 GLN HA H 4.41 0.02 1 15 . 3 GLN CB C 29.9 0.30 1 16 . 3 GLN HB2 H 2.12 0.02 2 17 . 3 GLN HB3 H 2.00 0.02 2 18 . 3 GLN CG C 33.8 0.30 1 19 . 3 GLN HG2 H 2.37 0.02 1 20 . 3 GLN HG3 H 2.37 0.02 1 21 . 3 GLN CD C 180.7 0.30 1 22 . 3 GLN NE2 N 112.3 0.20 1 23 . 3 GLN HE21 H 7.52 0.02 2 24 . 3 GLN HE22 H 6.83 0.02 2 25 . 3 GLN C C 175.6 0.30 1 26 . 4 LEU N N 123.0 0.20 1 27 . 4 LEU H H 8.25 0.02 1 28 . 4 LEU CA C 54.6 0.30 1 29 . 4 LEU HA H 4.68 0.02 1 30 . 4 LEU CB C 43.7 0.30 1 31 . 4 LEU HB2 H 1.75 0.02 2 32 . 4 LEU HB3 H 1.58 0.02 2 33 . 4 LEU CG C 27.3 0.30 1 34 . 4 LEU HG H 1.75 0.02 1 35 . 4 LEU HD1 H 0.93 0.02 1 36 . 4 LEU HD2 H 0.93 0.02 1 37 . 4 LEU CD1 C 26.6 0.30 1 38 . 4 LEU CD2 C 24.1 0.30 1 39 . 4 LEU C C 177.6 0.30 1 40 . 5 THR N N 113.1 0.20 1 41 . 5 THR H H 8.65 0.02 1 42 . 5 THR CA C 60.5 0.30 1 43 . 5 THR HA H 4.51 0.02 1 44 . 5 THR CB C 71.1 0.30 1 45 . 5 THR HB H 4.80 0.02 1 46 . 5 THR HG2 H 1.36 0.02 1 47 . 5 THR CG2 C 22.0 0.30 1 48 . 5 THR C C 175.5 0.30 1 49 . 6 GLU N N 120.6 0.20 1 50 . 6 GLU H H 9.02 0.02 1 51 . 6 GLU CA C 59.9 0.30 1 52 . 6 GLU HA H 4.02 0.02 1 53 . 6 GLU CB C 29.3 0.30 1 54 . 6 GLU HB2 H 2.09 0.02 1 55 . 6 GLU HB3 H 2.09 0.02 1 56 . 6 GLU CG C 36.6 0.30 1 57 . 6 GLU HG2 H 2.43 0.02 2 58 . 6 GLU HG3 H 2.33 0.02 2 59 . 6 GLU C C 179.5 0.30 1 60 . 7 GLU N N 119.4 0.20 1 61 . 7 GLU H H 8.72 0.02 1 62 . 7 GLU CA C 59.7 0.30 1 63 . 7 GLU HA H 4.11 0.02 1 64 . 7 GLU CB C 29.1 0.30 1 65 . 7 GLU HB2 H 2.07 0.02 2 66 . 7 GLU HB3 H 1.98 0.02 2 67 . 7 GLU CG C 36.9 0.30 1 68 . 7 GLU HG2 H 2.22 0.02 1 69 . 7 GLU HG3 H 2.22 0.02 1 70 . 7 GLU C C 179.1 0.30 1 71 . 8 GLN N N 120.2 0.20 1 72 . 8 GLN H H 7.75 0.02 1 73 . 8 GLN CA C 58.7 0.30 1 74 . 8 GLN HA H 3.97 0.02 1 75 . 8 GLN CB C 29.3 0.30 1 76 . 8 GLN HB2 H 2.43 0.02 2 77 . 8 GLN HB3 H 1.82 0.02 2 78 . 8 GLN CG C 35.0 0.30 1 79 . 8 GLN HG2 H 2.42 0.02 2 80 . 8 GLN HG3 H 2.38 0.02 2 81 . 8 GLN CD C 179.9 0.30 1 82 . 8 GLN NE2 N 111.3 0.20 1 83 . 8 GLN HE21 H 7.45 0.02 2 84 . 8 GLN HE22 H 6.78 0.02 2 85 . 8 GLN C C 178.5 0.30 1 86 . 9 ILE N N 119.6 0.20 1 87 . 9 ILE H H 8.42 0.02 1 88 . 9 ILE CA C 66.4 0.30 1 89 . 9 ILE HA H 3.79 0.02 1 90 . 9 ILE CB C 37.8 0.30 1 91 . 9 ILE HB H 2.01 0.02 1 92 . 9 ILE HG2 H 1.16 0.02 1 93 . 9 ILE CG2 C 17.6 0.30 1 94 . 9 ILE CG1 C 30.4 0.30 1 95 . 9 ILE HG12 H 1.86 0.02 2 96 . 9 ILE HG13 H 1.15 0.02 2 97 . 9 ILE HD1 H 0.89 0.02 1 98 . 9 ILE CD1 C 13.1 0.30 1 99 . 9 ILE C C 178.7 0.30 1 100 . 10 ALA N N 121.4 0.20 1 101 . 10 ALA H H 8.07 0.02 1 102 . 10 ALA CA C 55.4 0.30 1 103 . 10 ALA HA H 4.23 0.02 1 104 . 10 ALA HB H 1.56 0.02 1 105 . 10 ALA CB C 18.0 0.30 1 106 . 10 ALA C C 179.1 0.30 1 107 . 11 GLU N N 119.9 0.20 1 108 . 11 GLU H H 7.86 0.02 1 109 . 11 GLU CA C 59.5 0.30 1 110 . 11 GLU HA H 4.15 0.02 1 111 . 11 GLU CB C 29.3 0.30 1 112 . 11 GLU HB2 H 2.14 0.02 2 113 . 11 GLU HB3 H 2.06 0.02 2 114 . 11 GLU CG C 36.2 0.30 1 115 . 11 GLU HG2 H 2.40 0.02 1 116 . 11 GLU HG3 H 2.40 0.02 1 117 . 11 GLU C C 180.5 0.30 1 118 . 12 PHE N N 119.8 0.20 1 119 . 12 PHE H H 8.44 0.02 1 120 . 12 PHE CA C 60.1 0.30 1 121 . 12 PHE HA H 4.95 0.02 1 122 . 12 PHE CB C 38.3 0.30 1 123 . 12 PHE HB2 H 3.49 0.02 2 124 . 12 PHE HB3 H 3.46 0.02 2 125 . 12 PHE HD1 H 7.21 0.02 1 126 . 12 PHE HD2 H 7.21 0.02 1 127 . 12 PHE HE1 H 7.25 0.02 1 128 . 12 PHE HE2 H 7.25 0.02 1 129 . 12 PHE CD1 C 129.8 0.30 1 130 . 12 PHE CE1 C 129.8 0.30 1 131 . 12 PHE CZ C 132.1 0.30 1 132 . 12 PHE HZ H 6.75 0.02 1 133 . 12 PHE CE2 C 129.8 0.30 1 134 . 12 PHE CD2 C 129.8 0.30 1 135 . 12 PHE C C 178.5 0.30 1 136 . 13 LYS N N 124.1 0.20 1 137 . 13 LYS H H 9.17 0.02 1 138 . 13 LYS CA C 60.1 0.30 1 139 . 13 LYS HA H 3.86 0.02 1 140 . 13 LYS CB C 31.8 0.30 1 141 . 13 LYS HB2 H 1.89 0.02 2 142 . 13 LYS HB3 H 1.75 0.02 2 143 . 13 LYS CG C 25.3 0.30 1 144 . 13 LYS HG2 H 1.01 0.02 2 145 . 13 LYS HG3 H 0.91 0.02 2 146 . 13 LYS CD C 28.6 0.30 1 147 . 13 LYS HD2 H 1.30 0.02 2 148 . 13 LYS HD3 H 1.15 0.02 2 149 . 13 LYS CE C 41.9 0.30 1 150 . 13 LYS HE2 H 2.59 0.02 1 151 . 13 LYS HE3 H 2.59 0.02 1 152 . 13 LYS C C 179.4 0.30 1 153 . 14 GLU N N 120.5 0.20 1 154 . 14 GLU H H 7.98 0.02 1 155 . 14 GLU CA C 59.5 0.30 1 156 . 14 GLU HA H 4.13 0.02 1 157 . 14 GLU CB C 29.2 0.30 1 158 . 14 GLU HB2 H 2.26 0.02 1 159 . 14 GLU HB3 H 2.26 0.02 1 160 . 14 GLU CG C 36.2 0.30 1 161 . 14 GLU HG2 H 2.48 0.02 1 162 . 14 GLU HG3 H 2.48 0.02 1 163 . 14 GLU C C 179.6 0.30 1 164 . 15 ALA N N 121.9 0.20 1 165 . 15 ALA H H 8.00 0.02 1 166 . 15 ALA CA C 55.6 0.30 1 167 . 15 ALA HA H 4.22 0.02 1 168 . 15 ALA HB H 1.99 0.02 1 169 . 15 ALA CB C 18.9 0.30 1 170 . 15 ALA C C 179.2 0.30 1 171 . 16 PHE N N 118.9 0.20 1 172 . 16 PHE H H 8.86 0.02 1 173 . 16 PHE CA C 62.2 0.30 1 174 . 16 PHE HA H 3.40 0.02 1 175 . 16 PHE CB C 39.8 0.30 1 176 . 16 PHE HB2 H 3.28 0.02 2 177 . 16 PHE HB3 H 2.91 0.02 2 178 . 16 PHE HD1 H 6.62 0.02 1 179 . 16 PHE HD2 H 6.62 0.02 1 180 . 16 PHE HE1 H 7.18 0.02 1 181 . 16 PHE HE2 H 7.18 0.02 1 182 . 16 PHE CD1 C 131.5 0.30 1 183 . 16 PHE CE1 C 131.7 0.30 1 184 . 16 PHE CZ C 132.0 0.30 1 185 . 16 PHE HZ H 6.75 0.02 1 186 . 16 PHE CE2 C 131.7 0.30 1 187 . 16 PHE CD2 C 131.5 0.30 1 188 . 16 PHE C C 178.4 0.30 1 189 . 17 SER N N 114.4 0.20 1 190 . 17 SER H H 8.12 0.02 1 191 . 17 SER CA C 61.7 0.30 1 192 . 17 SER HA H 4.23 0.02 1 193 . 17 SER CB C 63.6 0.30 1 194 . 17 SER HB2 H 4.13 0.02 1 195 . 17 SER HB3 H 4.13 0.02 1 196 . 17 SER C C 174.5 0.30 1 197 . 18 LEU N N 118.8 0.20 1 198 . 18 LEU H H 7.56 0.02 1 199 . 18 LEU CA C 56.5 0.30 1 200 . 18 LEU HA H 4.09 0.02 1 201 . 18 LEU CB C 41.8 0.30 1 202 . 18 LEU HB2 H 2.14 0.02 2 203 . 18 LEU HB3 H 1.20 0.02 2 204 . 18 LEU CG C 26.1 0.30 1 205 . 18 LEU HG H 2.04 0.02 1 206 . 18 LEU HD1 H 0.80 0.02 2 207 . 18 LEU HD2 H 1.01 0.02 2 208 . 18 LEU CD1 C 22.2 0.30 1 209 . 18 LEU CD2 C 26.3 0.30 1 210 . 18 LEU C C 177.7 0.30 1 211 . 19 PHE N N 115.4 0.20 1 212 . 19 PHE H H 7.51 0.02 1 213 . 19 PHE CA C 59.2 0.30 1 214 . 19 PHE HA H 4.29 0.02 1 215 . 19 PHE CB C 41.9 0.30 1 216 . 19 PHE HB2 H 2.84 0.02 2 217 . 19 PHE HB3 H 2.74 0.02 2 218 . 19 PHE HD1 H 7.48 0.02 1 219 . 19 PHE HD2 H 7.48 0.02 1 220 . 19 PHE HE1 H 7.32 0.02 1 221 . 19 PHE HE2 H 7.32 0.02 1 222 . 19 PHE CD1 C 132.3 0.30 1 223 . 19 PHE CE1 C 130.7 0.30 1 224 . 19 PHE CZ C 129.0 0.30 1 225 . 19 PHE HZ H 7.67 0.02 1 226 . 19 PHE CE2 C 130.7 0.30 1 227 . 19 PHE CD2 C 132.3 0.30 1 228 . 19 PHE C C 175.4 0.30 1 229 . 20 ASP N N 117.0 0.20 1 230 . 20 ASP H H 7.51 0.02 1 231 . 20 ASP CA C 52.2 0.30 1 232 . 20 ASP HA H 4.61 0.02 1 233 . 20 ASP CB C 39.5 0.30 1 234 . 20 ASP HB2 H 2.42 0.02 2 235 . 20 ASP HB3 H 1.66 0.02 2 236 . 20 ASP C C 176.9 0.30 1 237 . 21 LYS N N 124.2 0.20 1 238 . 21 LYS H H 7.56 0.02 1 239 . 21 LYS CA C 57.9 0.30 1 240 . 21 LYS HA H 4.01 0.02 1 241 . 21 LYS CB C 32.2 0.30 1 242 . 21 LYS HB2 H 1.91 0.02 1 243 . 21 LYS HB3 H 1.91 0.02 1 244 . 21 LYS CG C 24.3 0.30 1 245 . 21 LYS HG2 H 1.54 0.02 2 246 . 21 LYS HG3 H 1.47 0.02 2 247 . 21 LYS CD C 28.0 0.30 1 248 . 21 LYS HD2 H 1.72 0.02 2 249 . 21 LYS HD3 H 1.64 0.02 2 250 . 21 LYS CE C 42.0 0.30 1 251 . 21 LYS HE2 H 2.99 0.02 2 252 . 21 LYS HE3 H 2.91 0.02 2 253 . 21 LYS C C 178.2 0.30 1 254 . 22 ASP N N 114.3 0.20 1 255 . 22 ASP H H 8.19 0.02 1 256 . 22 ASP CA C 52.9 0.30 1 257 . 22 ASP HA H 4.62 0.02 1 258 . 22 ASP CB C 39.6 0.30 1 259 . 22 ASP HB2 H 3.09 0.02 2 260 . 22 ASP HB3 H 2.67 0.02 2 261 . 22 ASP C C 177.7 0.30 1 262 . 23 GLY N N 109.6 0.20 1 263 . 23 GLY H H 7.71 0.02 1 264 . 23 GLY CA C 47.3 0.30 1 265 . 23 GLY HA2 H 3.95 0.02 2 266 . 23 GLY HA3 H 3.88 0.02 2 267 . 23 GLY C C 175.3 0.30 1 268 . 24 ASP N N 121.2 0.20 1 269 . 24 ASP H H 8.55 0.02 1 270 . 24 ASP CA C 53.6 0.30 1 271 . 24 ASP HA H 4.53 0.02 1 272 . 24 ASP CB C 40.6 0.30 1 273 . 24 ASP HB2 H 3.07 0.02 2 274 . 24 ASP HB3 H 2.51 0.02 2 275 . 24 ASP C C 177.3 0.30 1 276 . 25 GLY N N 112.9 0.20 1 277 . 25 GLY H H 10.60 0.02 1 278 . 25 GLY CA C 45.4 0.30 1 279 . 25 GLY HA2 H 4.43 0.02 2 280 . 25 GLY HA3 H 3.76 0.02 2 281 . 25 GLY C C 173.9 0.30 1 282 . 26 THR N N 111.6 0.20 1 283 . 26 THR H H 8.26 0.02 1 284 . 26 THR CA C 59.4 0.30 1 285 . 26 THR HA H 5.54 0.02 1 286 . 26 THR CB C 72.8 0.30 1 287 . 26 THR HB H 3.88 0.02 1 288 . 26 THR HG2 H 1.07 0.02 1 289 . 26 THR CG2 C 22.3 0.30 1 290 . 26 THR C C 173.4 0.30 1 291 . 27 ILE N N 126.4 0.20 1 292 . 27 ILE H H 10.08 0.02 1 293 . 27 ILE CA C 61.2 0.30 1 294 . 27 ILE HA H 4.83 0.02 1 295 . 27 ILE CB C 40.6 0.30 1 296 . 27 ILE HB H 1.86 0.02 1 297 . 27 ILE HG2 H 1.10 0.02 1 298 . 27 ILE CG2 C 17.6 0.30 1 299 . 27 ILE CG1 C 26.8 0.30 1 300 . 27 ILE HG12 H 1.11 0.02 1 301 . 27 ILE HG13 H 1.11 0.02 1 302 . 27 ILE HD1 H 0.45 0.02 1 303 . 27 ILE CD1 C 15.6 0.30 1 304 . 27 ILE C C 176.3 0.30 1 305 . 28 THR N N 116.3 0.20 1 306 . 28 THR H H 8.44 0.02 1 307 . 28 THR CA C 59.3 0.30 1 308 . 28 THR HA H 5.00 0.02 1 309 . 28 THR CB C 72.8 0.30 1 310 . 28 THR HB H 4.86 0.02 1 311 . 28 THR HG2 H 1.34 0.02 1 312 . 28 THR CG2 C 21.9 0.30 1 313 . 28 THR C C 176.5 0.30 1 314 . 29 THR N N 113.6 0.20 1 315 . 29 THR H H 9.17 0.02 1 316 . 29 THR CA C 66.6 0.30 1 317 . 29 THR HA H 3.77 0.02 1 318 . 29 THR CB C 68.3 0.30 1 319 . 29 THR HB H 4.21 0.02 1 320 . 29 THR HG2 H 1.31 0.02 1 321 . 29 THR CG2 C 23.2 0.30 1 322 . 29 THR C C 177.1 0.30 1 323 . 30 LYS N N 120.3 0.20 1 324 . 30 LYS H H 7.67 0.02 1 325 . 30 LYS CA C 59.3 0.30 1 326 . 30 LYS HA H 4.13 0.02 1 327 . 30 LYS CB C 32.6 0.30 1 328 . 30 LYS HB2 H 1.89 0.02 2 329 . 30 LYS HB3 H 1.83 0.02 2 330 . 30 LYS CG C 25.0 0.30 1 331 . 30 LYS HG2 H 1.51 0.02 2 332 . 30 LYS HG3 H 1.41 0.02 2 333 . 30 LYS CD C 29.1 0.30 1 334 . 30 LYS HD2 H 1.71 0.02 1 335 . 30 LYS HD3 H 1.71 0.02 1 336 . 30 LYS CE C 42.3 0.30 1 337 . 30 LYS HE2 H 3.01 0.02 1 338 . 30 LYS HE3 H 3.01 0.02 1 339 . 30 LYS C C 180.0 0.30 1 340 . 31 GLU N N 122.4 0.20 1 341 . 31 GLU H H 7.90 0.02 1 342 . 31 GLU CA C 59.9 0.30 1 343 . 31 GLU HA H 3.96 0.02 1 344 . 31 GLU CB C 29.7 0.30 1 345 . 31 GLU HB2 H 2.74 0.02 2 346 . 31 GLU HB3 H 2.42 0.02 2 347 . 31 GLU CG C 38.5 0.30 1 348 . 31 GLU HG2 H 2.57 0.02 2 349 . 31 GLU HG3 H 2.35 0.02 2 350 . 31 GLU C C 178.8 0.30 1 351 . 32 LEU N N 120.4 0.20 1 352 . 32 LEU H H 8.52 0.02 1 353 . 32 LEU CA C 58.4 0.30 1 354 . 32 LEU HA H 4.09 0.02 1 355 . 32 LEU CB C 42.2 0.30 1 356 . 32 LEU HB2 H 1.83 0.02 2 357 . 32 LEU HB3 H 1.28 0.02 2 358 . 32 LEU CG C 26.4 0.30 1 359 . 32 LEU HG H 1.28 0.02 1 360 . 32 LEU HD1 H 0.33 0.02 2 361 . 32 LEU HD2 H 0.40 0.02 2 362 . 32 LEU CD1 C 25.8 0.30 1 363 . 32 LEU CD2 C 22.8 0.30 1 364 . 32 LEU C C 178.9 0.30 1 365 . 33 GLY N N 105.3 0.20 1 366 . 33 GLY H H 8.69 0.02 1 367 . 33 GLY CA C 48.5 0.30 1 368 . 33 GLY HA2 H 3.94 0.02 2 369 . 33 GLY HA3 H 3.59 0.02 2 370 . 33 GLY C C 175.3 0.30 1 371 . 34 THR N N 118.7 0.20 1 372 . 34 THR H H 8.18 0.02 1 373 . 34 THR CA C 67.0 0.30 1 374 . 34 THR HA H 3.97 0.02 1 375 . 34 THR CB C 68.7 0.30 1 376 . 34 THR HB H 4.42 0.02 1 377 . 34 THR HG2 H 1.29 0.02 1 378 . 34 THR CG2 C 21.3 0.30 1 379 . 34 THR C C 177.3 0.30 1 380 . 35 VAL N N 122.6 0.20 1 381 . 35 VAL H H 7.96 0.02 1 382 . 35 VAL CA C 66.6 0.30 1 383 . 35 VAL HA H 3.59 0.02 1 384 . 35 VAL CB C 31.7 0.30 1 385 . 35 VAL HB H 2.14 0.02 1 386 . 35 VAL HG1 H 0.94 0.02 2 387 . 35 VAL HG2 H 0.53 0.02 2 388 . 35 VAL CG1 C 23.0 0.30 1 389 . 35 VAL CG2 C 21.4 0.30 1 390 . 35 VAL C C 178.5 0.30 1 391 . 36 MET N N 118.0 0.20 1 392 . 36 MET H H 8.43 0.02 1 393 . 36 MET CA C 61.2 0.30 1 394 . 36 MET HA H 3.70 0.02 1 395 . 36 MET CB C 33.9 0.30 1 396 . 36 MET HB2 H 2.69 0.02 2 397 . 36 MET HB3 H 2.27 0.02 2 398 . 36 MET CG C 33.2 0.30 1 399 . 36 MET HG2 H 2.01 0.02 2 400 . 36 MET HG3 H 1.96 0.02 2 401 . 36 MET HE H 1.92 0.02 1 402 . 36 MET CE C 17.3 0.30 1 403 . 36 MET C C 178.6 0.30 1 404 . 37 ARG N N 118.6 0.20 1 405 . 37 ARG H H 8.71 0.02 1 406 . 37 ARG CA C 59.3 0.30 1 407 . 37 ARG HA H 4.72 0.02 1 408 . 37 ARG CB C 30.0 0.30 1 409 . 37 ARG HB2 H 1.93 0.02 1 410 . 37 ARG HB3 H 1.93 0.02 1 411 . 37 ARG CG C 29.5 0.30 1 412 . 37 ARG HG2 H 1.86 0.02 1 413 . 37 ARG HG3 H 1.86 0.02 1 414 . 37 ARG CD C 43.5 0.30 1 415 . 37 ARG HD2 H 3.33 0.02 2 416 . 37 ARG HD3 H 3.16 0.02 2 417 . 37 ARG C C 181.3 0.30 1 418 . 38 SER N N 118.7 0.20 1 419 . 38 SER H H 8.14 0.02 1 420 . 38 SER CA C 61.7 0.30 1 421 . 38 SER HA H 4.40 0.02 1 422 . 38 SER CB C 62.8 0.30 1 423 . 38 SER HB2 H 4.12 0.02 1 424 . 38 SER HB3 H 4.12 0.02 1 425 . 38 SER C C 175.1 0.30 1 426 . 39 LEU N N 120.8 0.20 1 427 . 39 LEU H H 7.29 0.02 1 428 . 39 LEU CA C 54.4 0.30 1 429 . 39 LEU HA H 4.52 0.02 1 430 . 39 LEU CB C 42.3 0.30 1 431 . 39 LEU HB2 H 1.83 0.02 1 432 . 39 LEU HB3 H 1.83 0.02 1 433 . 39 LEU CG C 26.4 0.30 1 434 . 39 LEU HG H 1.83 0.02 1 435 . 39 LEU HD1 H 0.96 0.02 2 436 . 39 LEU HD2 H 0.77 0.02 2 437 . 39 LEU CD1 C 22.5 0.30 1 438 . 39 LEU CD2 C 26.7 0.30 1 439 . 39 LEU C C 177.3 0.30 1 440 . 40 GLY N N 107.2 0.20 1 441 . 40 GLY H H 7.92 0.02 1 442 . 40 GLY CA C 45.7 0.30 1 443 . 40 GLY HA2 H 4.27 0.02 2 444 . 40 GLY HA3 H 3.83 0.02 2 445 . 40 GLY C C 174.5 0.30 1 446 . 41 GLN N N 118.3 0.20 1 447 . 41 GLN H H 7.78 0.02 1 448 . 41 GLN CA C 54.8 0.30 1 449 . 41 GLN HA H 4.39 0.02 1 450 . 41 GLN CB C 29.3 0.30 1 451 . 41 GLN HB2 H 2.18 0.02 1 452 . 41 GLN HB3 H 2.18 0.02 1 453 . 41 GLN CG C 33.6 0.30 1 454 . 41 GLN HG2 H 2.26 0.02 2 455 . 41 GLN HG3 H 2.21 0.02 2 456 . 41 GLN CD C 178.5 0.30 1 457 . 41 GLN NE2 N 107.6 0.20 1 458 . 41 GLN HE21 H 7.19 0.02 2 459 . 41 GLN HE22 H 6.18 0.02 2 460 . 41 GLN C C 174.3 0.30 1 461 . 42 ASN N N 116.6 0.20 1 462 . 42 ASN H H 8.62 0.02 1 463 . 42 ASN CA C 51.3 0.30 1 464 . 42 ASN HA H 5.22 0.02 1 465 . 42 ASN CB C 39.5 0.30 1 466 . 42 ASN HB2 H 2.81 0.02 2 467 . 42 ASN HB3 H 2.54 0.02 2 468 . 42 ASN CG C 178.1 0.30 1 469 . 42 ASN ND2 N 112.3 0.20 1 470 . 42 ASN HD21 H 7.51 0.02 2 471 . 42 ASN HD22 H 6.73 0.02 2 472 . 43 PRO CD C 50.2 0.30 1 473 . 43 PRO CA C 62.3 0.30 1 474 . 43 PRO HA H 4.75 0.02 1 475 . 43 PRO CB C 32.1 0.30 1 476 . 43 PRO HB2 H 2.15 0.02 1 477 . 43 PRO HB3 H 2.15 0.02 1 478 . 43 PRO CG C 27.3 0.30 1 479 . 43 PRO HG2 H 1.99 0.02 2 480 . 43 PRO HG3 H 1.93 0.02 2 481 . 43 PRO HD2 H 3.70 0.02 2 482 . 43 PRO HD3 H 3.19 0.02 2 483 . 43 PRO C C 177.8 0.30 1 484 . 44 THR N N 112.4 0.20 1 485 . 44 THR H H 8.49 0.02 1 486 . 44 THR CA C 60.2 0.30 1 487 . 44 THR HA H 4.52 0.02 1 488 . 44 THR CB C 71.1 0.30 1 489 . 44 THR HB H 4.74 0.02 1 490 . 44 THR HG2 H 1.36 0.02 1 491 . 44 THR CG2 C 22.0 0.30 1 492 . 44 THR C C 175.3 0.30 1 493 . 45 GLU N N 120.8 0.20 1 494 . 45 GLU H H 8.80 0.02 1 495 . 45 GLU CA C 59.8 0.30 1 496 . 45 GLU HA H 3.98 0.02 1 497 . 45 GLU CB C 29.1 0.30 1 498 . 45 GLU HB2 H 2.07 0.02 1 499 . 45 GLU HB3 H 2.07 0.02 1 500 . 45 GLU CG C 36.4 0.30 1 501 . 45 GLU HG2 H 2.41 0.02 2 502 . 45 GLU HG3 H 2.35 0.02 2 503 . 45 GLU C C 179.1 0.30 1 504 . 46 ALA N N 120.6 0.20 1 505 . 46 ALA H H 8.23 0.02 1 506 . 46 ALA CA C 55.0 0.30 1 507 . 46 ALA HA H 4.12 0.02 1 508 . 46 ALA HB H 1.43 0.02 1 509 . 46 ALA CB C 18.3 0.30 1 510 . 46 ALA C C 180.0 0.30 1 511 . 47 GLU N N 119.6 0.20 1 512 . 47 GLU H H 7.72 0.02 1 513 . 47 GLU CA C 59.0 0.30 1 514 . 47 GLU HA H 4.03 0.02 1 515 . 47 GLU CB C 29.9 0.30 1 516 . 47 GLU HB2 H 2.19 0.02 1 517 . 47 GLU HB3 H 2.19 0.02 1 518 . 47 GLU CG C 36.8 0.30 1 519 . 47 GLU HG2 H 2.28 0.02 1 520 . 47 GLU HG3 H 2.28 0.02 1 521 . 47 GLU C C 179.5 0.30 1 522 . 48 LEU N N 118.9 0.20 1 523 . 48 LEU H H 7.84 0.02 1 524 . 48 LEU CA C 57.7 0.30 1 525 . 48 LEU HA H 3.89 0.02 1 526 . 48 LEU CB C 42.5 0.30 1 527 . 48 LEU HB2 H 1.99 0.02 2 528 . 48 LEU HB3 H 1.24 0.02 2 529 . 48 LEU CG C 26.7 0.30 1 530 . 48 LEU HG H 1.75 0.02 1 531 . 48 LEU HD1 H 0.81 0.02 2 532 . 48 LEU HD2 H 0.74 0.02 2 533 . 48 LEU CD1 C 25.9 0.30 1 534 . 48 LEU CD2 C 24.0 0.30 1 535 . 48 LEU C C 178.5 0.30 1 536 . 49 GLN N N 117.3 0.20 1 537 . 49 GLN H H 8.19 0.02 1 538 . 49 GLN CA C 58.7 0.30 1 539 . 49 GLN HA H 3.89 0.02 1 540 . 49 GLN CB C 28.2 0.30 1 541 . 49 GLN HB2 H 2.23 0.02 2 542 . 49 GLN HB3 H 2.16 0.02 2 543 . 49 GLN CG C 34.3 0.30 1 544 . 49 GLN HG2 H 2.52 0.02 2 545 . 49 GLN HG3 H 2.48 0.02 2 546 . 49 GLN CD C 180.3 0.30 1 547 . 49 GLN NE2 N 113.0 0.20 1 548 . 49 GLN HE21 H 7.54 0.02 2 549 . 49 GLN HE22 H 7.03 0.02 2 550 . 49 GLN C C 178.3 0.30 1 551 . 50 ASP N N 119.6 0.20 1 552 . 50 ASP H H 8.04 0.02 1 553 . 50 ASP CA C 57.8 0.30 1 554 . 50 ASP HA H 4.54 0.02 1 555 . 50 ASP CB C 41.0 0.30 1 556 . 50 ASP HB2 H 2.87 0.02 2 557 . 50 ASP HB3 H 2.62 0.02 2 558 . 50 ASP C C 178.1 0.30 1 559 . 51 MET N N 116.8 0.20 1 560 . 51 MET H H 7.86 0.02 1 561 . 51 MET CA C 60.1 0.30 1 562 . 51 MET HA H 4.01 0.02 1 563 . 51 MET CB C 33.8 0.30 1 564 . 51 MET HB2 H 2.09 0.02 1 565 . 51 MET HB3 H 2.09 0.02 1 566 . 51 MET CG C 33.8 0.30 1 567 . 51 MET HG2 H 2.84 0.02 1 568 . 51 MET HG3 H 2.84 0.02 1 569 . 51 MET HE H 1.27 0.02 1 570 . 51 MET CE C 16.6 0.30 1 571 . 51 MET C C 178.7 0.30 1 572 . 52 ILE N N 117.8 0.20 1 573 . 52 ILE H H 7.71 0.02 1 574 . 52 ILE CA C 62.6 0.30 1 575 . 52 ILE HA H 4.13 0.02 1 576 . 52 ILE CB C 36.5 0.30 1 577 . 52 ILE HB H 2.16 0.02 1 578 . 52 ILE HG2 H 0.85 0.02 1 579 . 52 ILE CG2 C 16.6 0.30 1 580 . 52 ILE CG1 C 28.2 0.30 1 581 . 52 ILE HG12 H 1.68 0.02 2 582 . 52 ILE HG13 H 1.60 0.02 2 583 . 52 ILE HD1 H 0.79 0.02 1 584 . 52 ILE CD1 C 10.5 0.30 1 585 . 52 ILE C C 178.1 0.30 1 586 . 53 ASN N N 117.8 0.20 1 587 . 53 ASN H H 9.16 0.02 1 588 . 53 ASN CA C 56.6 0.30 1 589 . 53 ASN HA H 4.46 0.02 1 590 . 53 ASN CB C 38.2 0.30 1 591 . 53 ASN HB2 H 3.13 0.02 2 592 . 53 ASN HB3 H 2.94 0.02 2 593 . 53 ASN CG C 176.7 0.30 1 594 . 53 ASN ND2 N 111.4 0.20 1 595 . 53 ASN HD21 H 7.80 0.02 2 596 . 53 ASN HD22 H 6.95 0.02 2 597 . 53 ASN C C 178.6 0.30 1 598 . 54 GLU N N 113.7 0.20 1 599 . 54 GLU H H 8.10 0.02 1 600 . 54 GLU CA C 57.7 0.30 1 601 . 54 GLU HA H 4.42 0.02 1 602 . 54 GLU CB C 29.7 0.30 1 603 . 54 GLU HB2 H 2.65 0.02 2 604 . 54 GLU HB3 H 2.36 0.02 2 605 . 54 GLU CG C 35.4 0.30 1 606 . 54 GLU HG2 H 2.68 0.02 1 607 . 54 GLU HG3 H 2.68 0.02 1 608 . 54 GLU C C 176.7 0.30 1 609 . 55 VAL N N 114.5 0.20 1 610 . 55 VAL H H 7.17 0.02 1 611 . 55 VAL CA C 61.2 0.30 1 612 . 55 VAL HA H 4.21 0.02 1 613 . 55 VAL CB C 33.4 0.30 1 614 . 55 VAL HB H 2.11 0.02 1 615 . 55 VAL HG1 H 0.93 0.02 2 616 . 55 VAL HG2 H 0.75 0.02 2 617 . 55 VAL CG1 C 22.9 0.30 1 618 . 55 VAL CG2 C 22.8 0.30 1 619 . 55 VAL C C 175.1 0.30 1 620 . 56 ASP N N 121.6 0.20 1 621 . 56 ASP H H 7.60 0.02 1 622 . 56 ASP CA C 53.8 0.30 1 623 . 56 ASP HA H 4.46 0.02 1 624 . 56 ASP CB C 40.4 0.30 1 625 . 56 ASP HB2 H 2.84 0.02 2 626 . 56 ASP HB3 H 2.66 0.02 2 627 . 56 ASP C C 176.0 0.30 1 628 . 57 ALA N N 131.3 0.20 1 629 . 57 ALA H H 8.14 0.02 1 630 . 57 ALA CA C 54.5 0.30 1 631 . 57 ALA HA H 4.27 0.02 1 632 . 57 ALA HB H 1.58 0.02 1 633 . 57 ALA CB C 19.9 0.30 1 634 . 57 ALA C C 178.8 0.30 1 635 . 58 ASP N N 114.1 0.20 1 636 . 58 ASP H H 8.28 0.02 1 637 . 58 ASP CA C 52.7 0.30 1 638 . 58 ASP HA H 4.68 0.02 1 639 . 58 ASP CB C 39.9 0.30 1 640 . 58 ASP HB2 H 3.10 0.02 2 641 . 58 ASP HB3 H 2.73 0.02 2 642 . 58 ASP C C 178.0 0.30 1 643 . 59 GLY N N 108.5 0.20 1 644 . 59 GLY H H 7.62 0.02 1 645 . 59 GLY CA C 47.1 0.30 1 646 . 59 GLY HA2 H 3.99 0.02 2 647 . 59 GLY HA3 H 3.82 0.02 2 648 . 59 GLY C C 175.1 0.30 1 649 . 60 ASN N N 119.0 0.20 1 650 . 60 ASN H H 8.21 0.02 1 651 . 60 ASN CA C 52.8 0.30 1 652 . 60 ASN HA H 4.67 0.02 1 653 . 60 ASN CB C 37.7 0.30 1 654 . 60 ASN HB2 H 3.35 0.02 2 655 . 60 ASN HB3 H 2.70 0.02 2 656 . 60 ASN CG C 178.9 0.30 1 657 . 60 ASN ND2 N 115.2 0.20 1 658 . 60 ASN HD21 H 7.78 0.02 2 659 . 60 ASN HD22 H 6.97 0.02 2 660 . 60 ASN C C 176.9 0.30 1 661 . 61 GLY N N 113.6 0.20 1 662 . 61 GLY H H 10.70 0.02 1 663 . 61 GLY CA C 45.6 0.30 1 664 . 61 GLY HA2 H 4.33 0.02 2 665 . 61 GLY HA3 H 3.55 0.02 2 666 . 61 GLY C C 173.2 0.30 1 667 . 62 THR N N 108.3 0.20 1 668 . 62 THR H H 7.70 0.02 1 669 . 62 THR CA C 59.4 0.30 1 670 . 62 THR HA H 4.79 0.02 1 671 . 62 THR CB C 72.5 0.30 1 672 . 62 THR HB H 4.06 0.02 1 673 . 62 THR HG2 H 1.19 0.02 1 674 . 62 THR CG2 C 22.6 0.30 1 675 . 62 THR C C 173.0 0.30 1 676 . 63 ILE N N 124.6 0.20 1 677 . 63 ILE H H 8.94 0.02 1 678 . 63 ILE CA C 57.5 0.30 1 679 . 63 ILE HA H 5.42 0.02 1 680 . 63 ILE CB C 37.9 0.30 1 681 . 63 ILE HB H 2.44 0.02 1 682 . 63 ILE HG2 H 1.14 0.02 1 683 . 63 ILE CG2 C 18.0 0.30 1 684 . 63 ILE CG1 C 27.5 0.30 1 685 . 63 ILE HG12 H 1.55 0.02 1 686 . 63 ILE HG13 H 1.55 0.02 1 687 . 63 ILE HD1 H 0.97 0.02 1 688 . 63 ILE CD1 C 10.5 0.30 1 689 . 63 ILE C C 175.8 0.30 1 690 . 64 ASP N N 128.4 0.20 1 691 . 64 ASP H H 8.91 0.02 1 692 . 64 ASP CA C 52.0 0.30 1 693 . 64 ASP HA H 5.49 0.02 1 694 . 64 ASP CB C 42.3 0.30 1 695 . 64 ASP HB2 H 3.20 0.02 2 696 . 64 ASP HB3 H 2.84 0.02 2 697 . 64 ASP C C 175.8 0.30 1 698 . 65 PHE N N 118.2 0.20 1 699 . 65 PHE H H 8.83 0.02 1 700 . 65 PHE CA C 63.0 0.30 1 701 . 65 PHE HA H 3.90 0.02 1 702 . 65 PHE CB C 36.0 0.30 1 703 . 65 PHE HB2 H 2.78 0.02 2 704 . 65 PHE HB3 H 1.99 0.02 2 705 . 65 PHE HD1 H 6.80 0.02 1 706 . 65 PHE HD2 H 6.80 0.02 1 707 . 65 PHE HE1 H 7.23 0.02 1 708 . 65 PHE HE2 H 7.23 0.02 1 709 . 65 PHE CD1 C 132.1 0.30 1 710 . 65 PHE CE1 C 130.7 0.30 1 711 . 65 PHE CZ C 131.7 0.30 1 712 . 65 PHE HZ H 6.65 0.02 1 713 . 65 PHE CE2 C 130.7 0.30 1 714 . 65 PHE CD2 C 132.1 0.30 1 715 . 66 PRO CD C 49.0 0.30 1 716 . 66 PRO CA C 66.7 0.30 1 717 . 66 PRO HA H 3.81 0.02 1 718 . 66 PRO CB C 30.6 0.30 1 719 . 66 PRO HB2 H 2.20 0.02 2 720 . 66 PRO HB3 H 1.88 0.02 2 721 . 66 PRO CG C 28.4 0.30 1 722 . 66 PRO HG2 H 2.17 0.02 2 723 . 66 PRO HG3 H 1.86 0.02 2 724 . 66 PRO HD2 H 3.75 0.02 1 725 . 66 PRO HD3 H 3.75 0.02 1 726 . 66 PRO C C 179.3 0.30 1 727 . 67 GLU N N 118.5 0.20 1 728 . 67 GLU H H 8.28 0.02 1 729 . 67 GLU CA C 59.2 0.30 1 730 . 67 GLU HA H 3.92 0.02 1 731 . 67 GLU CB C 29.7 0.30 1 732 . 67 GLU HB2 H 2.06 0.02 1 733 . 67 GLU HB3 H 2.06 0.02 1 734 . 67 GLU CG C 37.6 0.30 1 735 . 67 GLU HG2 H 3.04 0.02 1 736 . 67 GLU HG3 H 3.04 0.02 1 737 . 67 GLU C C 179.1 0.30 1 738 . 68 PHE N N 123.1 0.20 1 739 . 68 PHE H H 8.42 0.02 1 740 . 68 PHE CA C 61.0 0.30 1 741 . 68 PHE HA H 3.58 0.02 1 742 . 68 PHE CB C 40.6 0.30 1 743 . 68 PHE HB2 H 3.39 0.02 2 744 . 68 PHE HB3 H 2.94 0.02 2 745 . 68 PHE HD1 H 6.69 0.02 1 746 . 68 PHE HD2 H 6.69 0.02 1 747 . 68 PHE HE1 H 6.75 0.02 1 748 . 68 PHE HE2 H 6.75 0.02 1 749 . 68 PHE CD1 C 131.6 0.30 1 750 . 68 PHE CE1 C 132.0 0.30 1 751 . 68 PHE CZ C 131.5 0.30 1 752 . 68 PHE HZ H 7.20 0.02 1 753 . 68 PHE CE2 C 132.0 0.30 1 754 . 68 PHE CD2 C 131.6 0.30 1 755 . 68 PHE C C 176.5 0.30 1 756 . 69 LEU N N 119.3 0.20 1 757 . 69 LEU H H 8.82 0.02 1 758 . 69 LEU CA C 57.4 0.30 1 759 . 69 LEU HA H 3.23 0.02 1 760 . 69 LEU CB C 41.3 0.30 1 761 . 69 LEU HB2 H 1.20 0.02 2 762 . 69 LEU HB3 H 0.97 0.02 2 763 . 69 LEU CG C 25.9 0.30 1 764 . 69 LEU HG H 1.03 0.02 1 765 . 69 LEU HD1 H 0.65 0.02 2 766 . 69 LEU HD2 H 0.57 0.02 2 767 . 69 LEU CD1 C 24.7 0.30 1 768 . 69 LEU CD2 C 24.8 0.30 1 769 . 69 LEU C C 178.6 0.30 1 770 . 70 THR N N 114.9 0.20 1 771 . 70 THR H H 7.69 0.02 1 772 . 70 THR CA C 66.7 0.30 1 773 . 70 THR HA H 3.65 0.02 1 774 . 70 THR CB C 68.6 0.30 1 775 . 70 THR HB H 4.06 0.02 1 776 . 70 THR HG2 H 1.17 0.02 1 777 . 70 THR CG2 C 21.7 0.30 1 778 . 70 THR C C 175.9 0.30 1 779 . 71 MET N N 119.3 0.20 1 780 . 71 MET H H 6.66 0.02 1 781 . 71 MET CA C 57.9 0.30 1 782 . 71 MET HA H 3.31 0.02 1 783 . 71 MET CB C 31.8 0.30 1 784 . 71 MET HB2 H 1.44 0.02 2 785 . 71 MET HB3 H 1.09 0.02 2 786 . 71 MET CG C 29.5 0.30 1 787 . 71 MET HG2 H 1.35 0.02 2 788 . 71 MET HG3 H 1.26 0.02 2 789 . 71 MET HE H 0.53 0.02 1 790 . 71 MET CE C 15.6 0.30 1 791 . 71 MET C C 176.9 0.30 1 792 . 72 MET N N 116.2 0.20 1 793 . 72 MET H H 7.41 0.02 1 794 . 72 MET CA C 55.4 0.30 1 795 . 72 MET HA H 3.94 0.02 1 796 . 72 MET CB C 31.2 0.30 1 797 . 72 MET HB2 H 1.11 0.02 2 798 . 72 MET HB3 H 1.04 0.02 2 799 . 72 MET CG C 32.1 0.30 1 800 . 72 MET HG2 H 1.50 0.02 2 801 . 72 MET HG3 H 1.42 0.02 2 802 . 72 MET HE H 1.60 0.02 1 803 . 72 MET CE C 18.3 0.30 1 804 . 72 MET C C 177.7 0.30 1 805 . 73 ALA N N 121.2 0.20 1 806 . 73 ALA H H 8.06 0.02 1 807 . 73 ALA CA C 53.4 0.30 1 808 . 73 ALA HA H 4.11 0.02 1 809 . 73 ALA HB H 1.30 0.02 1 810 . 73 ALA CB C 18.6 0.30 1 811 . 73 ALA C C 178.4 0.30 1 812 . 74 ARG N N 117.7 0.20 1 813 . 74 ARG H H 7.40 0.02 1 814 . 74 ARG CA C 57.1 0.30 1 815 . 74 ARG HA H 4.21 0.02 1 816 . 74 ARG CB C 30.1 0.30 1 817 . 74 ARG HB2 H 1.97 0.02 2 818 . 74 ARG HB3 H 1.91 0.02 2 819 . 74 ARG CG C 27.1 0.30 1 820 . 74 ARG HG2 H 1.71 0.02 2 821 . 74 ARG HG3 H 1.69 0.02 2 822 . 74 ARG CD C 43.4 0.30 1 823 . 74 ARG HD2 H 3.23 0.02 2 824 . 74 ARG HD3 H 3.16 0.02 2 825 . 74 ARG C C 176.9 0.30 1 826 . 75 LYS N N 120.6 0.20 1 827 . 75 LYS H H 8.01 0.02 1 828 . 75 LYS CA C 56.7 0.30 1 829 . 75 LYS HA H 4.35 0.02 1 830 . 75 LYS CB C 32.5 0.30 1 831 . 75 LYS HB2 H 1.94 0.02 2 832 . 75 LYS HB3 H 1.83 0.02 2 833 . 75 LYS CG C 24.6 0.30 1 834 . 75 LYS HG2 H 1.51 0.02 1 835 . 75 LYS HG3 H 1.51 0.02 1 836 . 75 LYS CD C 29.1 0.30 1 837 . 75 LYS HD2 H 1.73 0.02 1 838 . 75 LYS HD3 H 1.73 0.02 1 839 . 75 LYS CE C 42.0 0.30 1 840 . 75 LYS HE2 H 3.04 0.02 1 841 . 75 LYS HE3 H 3.04 0.02 1 842 . 75 LYS C C 177.2 0.30 1 843 . 76 MET N N 120.3 0.20 1 844 . 76 MET H H 8.19 0.02 1 845 . 76 MET CA C 56.2 0.30 1 846 . 76 MET HA H 4.46 0.02 1 847 . 76 MET CB C 33.0 0.30 1 848 . 76 MET HB2 H 2.18 0.02 2 849 . 76 MET HB3 H 2.10 0.02 2 850 . 76 MET CG C 32.4 0.30 1 851 . 76 MET HG2 H 2.68 0.02 2 852 . 76 MET HG3 H 2.63 0.02 2 853 . 76 MET HE H 2.12 0.02 1 854 . 76 MET CE C 17.4 0.30 1 855 . 76 MET C C 176.4 0.30 1 856 . 77 LYS N N 121.1 0.20 1 857 . 77 LYS H H 8.04 0.02 1 858 . 77 LYS CA C 56.7 0.30 1 859 . 77 LYS HA H 4.36 0.02 1 860 . 77 LYS CB C 33.3 0.30 1 861 . 77 LYS HB2 H 1.91 0.02 2 862 . 77 LYS HB3 H 1.84 0.02 2 863 . 77 LYS CG C 24.7 0.30 1 864 . 77 LYS HG2 H 1.50 0.02 1 865 . 77 LYS HG3 H 1.50 0.02 1 866 . 77 LYS CD C 29.0 0.30 1 867 . 77 LYS HD2 H 1.72 0.02 1 868 . 77 LYS HD3 H 1.72 0.02 1 869 . 77 LYS CE C 42.0 0.30 1 870 . 77 LYS HE2 H 3.02 0.02 1 871 . 77 LYS HE3 H 3.02 0.02 1 872 . 77 LYS C C 176.5 0.30 1 873 . 78 ASP N N 121.9 0.20 1 874 . 78 ASP H H 8.33 0.02 1 875 . 78 ASP CA C 54.8 0.30 1 876 . 78 ASP HA H 4.69 0.02 1 877 . 78 ASP CB C 41.2 0.30 1 878 . 78 ASP HB2 H 2.83 0.02 2 879 . 78 ASP HB3 H 2.71 0.02 2 880 . 78 ASP C C 176.7 0.30 1 881 . 79 THR N N 114.5 0.20 1 882 . 79 THR H H 8.13 0.02 1 883 . 79 THR CA C 62.5 0.30 1 884 . 79 THR HA H 4.33 0.02 1 885 . 79 THR CB C 69.9 0.30 1 886 . 79 THR HB H 4.31 0.02 1 887 . 79 THR HG2 H 1.25 0.02 1 888 . 79 THR CG2 C 21.8 0.30 1 889 . 79 THR C C 174.7 0.30 1 890 . 80 ASP N N 123.2 0.20 1 891 . 80 ASP H H 8.43 0.02 1 892 . 80 ASP CA C 54.9 0.30 1 893 . 80 ASP HA H 4.67 0.02 1 894 . 80 ASP CB C 41.2 0.30 1 895 . 80 ASP HB2 H 2.78 0.02 2 896 . 80 ASP HB3 H 2.73 0.02 2 897 . 80 ASP C C 177.1 0.30 1 898 . 81 SER N N 117.1 0.20 1 899 . 81 SER H H 8.40 0.02 1 900 . 81 SER CA C 60.2 0.30 1 901 . 81 SER HA H 4.44 0.02 1 902 . 81 SER CB C 63.5 0.30 1 903 . 81 SER HB2 H 4.02 0.02 1 904 . 81 SER HB3 H 4.02 0.02 1 905 . 81 SER C C 175.6 0.30 1 906 . 82 GLU N N 122.2 0.20 1 907 . 82 GLU H H 8.36 0.02 1 908 . 82 GLU CA C 58.5 0.30 1 909 . 82 GLU HA H 4.21 0.02 1 910 . 82 GLU CB C 29.7 0.30 1 911 . 82 GLU HB2 H 2.19 0.02 2 912 . 82 GLU HB3 H 2.12 0.02 2 913 . 82 GLU CG C 36.6 0.30 1 914 . 82 GLU HG2 H 2.37 0.02 2 915 . 82 GLU HG3 H 2.33 0.02 2 916 . 82 GLU C C 177.7 0.30 1 917 . 83 GLU N N 120.0 0.20 1 918 . 83 GLU H H 8.18 0.02 1 919 . 83 GLU CA C 59.6 0.30 1 920 . 83 GLU HA H 4.11 0.02 1 921 . 83 GLU CB C 29.8 0.30 1 922 . 83 GLU HB2 H 2.13 0.02 1 923 . 83 GLU HB3 H 2.13 0.02 1 924 . 83 GLU CG C 36.0 0.30 1 925 . 83 GLU HG2 H 2.33 0.02 1 926 . 83 GLU HG3 H 2.33 0.02 1 927 . 83 GLU C C 179.5 0.30 1 928 . 84 GLU N N 118.7 0.20 1 929 . 84 GLU H H 8.18 0.02 1 930 . 84 GLU CA C 59.5 0.30 1 931 . 84 GLU HA H 4.14 0.02 1 932 . 84 GLU CB C 29.6 0.30 1 933 . 84 GLU HB2 H 2.13 0.02 1 934 . 84 GLU HB3 H 2.13 0.02 1 935 . 84 GLU CG C 36.8 0.30 1 936 . 84 GLU HG2 H 2.41 0.02 2 937 . 84 GLU HG3 H 2.35 0.02 2 938 . 84 GLU C C 179.3 0.30 1 939 . 85 ILE N N 120.8 0.20 1 940 . 85 ILE H H 7.89 0.02 1 941 . 85 ILE CA C 64.6 0.30 1 942 . 85 ILE HA H 3.97 0.02 1 943 . 85 ILE CB C 37.5 0.30 1 944 . 85 ILE HB H 2.16 0.02 1 945 . 85 ILE HG2 H 1.11 0.02 1 946 . 85 ILE CG2 C 18.8 0.30 1 947 . 85 ILE CG1 C 29.0 0.30 1 948 . 85 ILE HG12 H 1.79 0.02 2 949 . 85 ILE HG13 H 1.11 0.02 2 950 . 85 ILE HD1 H 0.78 0.02 1 951 . 85 ILE CD1 C 13.2 0.30 1 952 . 85 ILE C C 177.8 0.30 1 953 . 86 ARG N N 121.7 0.20 1 954 . 86 ARG H H 8.32 0.02 1 955 . 86 ARG CA C 59.5 0.30 1 956 . 86 ARG HA H 4.05 0.02 1 957 . 86 ARG CB C 29.8 0.30 1 958 . 86 ARG HB2 H 2.22 0.02 2 959 . 86 ARG HB3 H 1.98 0.02 2 960 . 86 ARG CG C 27.5 0.30 1 961 . 86 ARG HG2 H 2.11 0.02 1 962 . 86 ARG HG3 H 2.11 0.02 1 963 . 86 ARG CD C 43.2 0.30 1 964 . 86 ARG HD2 H 3.01 0.02 1 965 . 86 ARG HD3 H 3.01 0.02 1 966 . 86 ARG C C 178.4 0.30 1 967 . 87 GLU N N 118.7 0.20 1 968 . 87 GLU H H 8.20 0.02 1 969 . 87 GLU CA C 58.9 0.30 1 970 . 87 GLU HA H 3.78 0.02 1 971 . 87 GLU CB C 29.2 0.30 1 972 . 87 GLU HB2 H 1.99 0.02 1 973 . 87 GLU HB3 H 1.99 0.02 1 974 . 87 GLU CG C 36.0 0.30 1 975 . 87 GLU HG2 H 2.16 0.02 1 976 . 87 GLU HG3 H 2.16 0.02 1 977 . 87 GLU C C 177.8 0.30 1 978 . 88 ALA N N 121.1 0.20 1 979 . 88 ALA H H 8.07 0.02 1 980 . 88 ALA CA C 54.9 0.30 1 981 . 88 ALA HA H 4.12 0.02 1 982 . 88 ALA HB H 1.78 0.02 1 983 . 88 ALA CB C 19.0 0.30 1 984 . 88 ALA C C 179.1 0.30 1 985 . 89 PHE N N 118.1 0.20 1 986 . 89 PHE H H 8.44 0.02 1 987 . 89 PHE CA C 62.5 0.30 1 988 . 89 PHE HA H 3.19 0.02 1 989 . 89 PHE CB C 39.2 0.30 1 990 . 89 PHE HB2 H 2.96 0.02 1 991 . 89 PHE HB3 H 2.96 0.02 1 992 . 89 PHE HD1 H 6.62 0.02 1 993 . 89 PHE HD2 H 6.62 0.02 1 994 . 89 PHE HE1 H 7.04 0.02 1 995 . 89 PHE HE2 H 7.04 0.02 1 996 . 89 PHE CD1 C 131.7 0.30 1 997 . 89 PHE CE1 C 131.5 0.30 1 998 . 89 PHE CZ C 131.5 0.30 1 999 . 89 PHE HZ H 7.07 0.02 1 1000 . 89 PHE CE2 C 131.5 0.30 1 1001 . 89 PHE CD2 C 131.7 0.30 1 1002 . 89 PHE C C 177.1 0.30 1 1003 . 90 ARG N N 115.9 0.20 1 1004 . 90 ARG H H 7.78 0.02 1 1005 . 90 ARG CA C 59.1 0.30 1 1006 . 90 ARG HA H 3.97 0.02 1 1007 . 90 ARG CB C 30.3 0.30 1 1008 . 90 ARG HB2 H 2.03 0.02 1 1009 . 90 ARG HB3 H 2.03 0.02 1 1010 . 90 ARG CG C 27.7 0.30 1 1011 . 90 ARG HG2 H 1.91 0.02 2 1012 . 90 ARG HG3 H 1.75 0.02 2 1013 . 90 ARG CD C 43.5 0.30 1 1014 . 90 ARG HD2 H 3.25 0.02 1 1015 . 90 ARG HD3 H 3.25 0.02 1 1016 . 90 ARG C C 178.1 0.30 1 1017 . 91 VAL N N 114.8 0.20 1 1018 . 91 VAL H H 7.49 0.02 1 1019 . 91 VAL CA C 64.8 0.30 1 1020 . 91 VAL HA H 3.82 0.02 1 1021 . 91 VAL CB C 31.4 0.30 1 1022 . 91 VAL HB H 2.23 0.02 1 1023 . 91 VAL HG1 H 1.05 0.02 2 1024 . 91 VAL HG2 H 0.88 0.02 2 1025 . 91 VAL CG1 C 22.1 0.30 1 1026 . 91 VAL CG2 C 21.5 0.30 1 1027 . 91 VAL C C 177.2 0.30 1 1028 . 92 PHE N N 117.7 0.20 1 1029 . 92 PHE H H 7.56 0.02 1 1030 . 92 PHE CA C 59.6 0.30 1 1031 . 92 PHE HA H 4.26 0.02 1 1032 . 92 PHE CB C 40.8 0.30 1 1033 . 92 PHE HB2 H 2.84 0.02 2 1034 . 92 PHE HB3 H 2.75 0.02 2 1035 . 92 PHE HD1 H 7.39 0.02 1 1036 . 92 PHE HD2 H 7.39 0.02 1 1037 . 92 PHE HE1 H 7.46 0.02 1 1038 . 92 PHE HE2 H 7.46 0.02 1 1039 . 92 PHE CD1 C 130.9 0.30 1 1040 . 92 PHE CE1 C 132.1 0.30 1 1041 . 92 PHE CZ C 128.6 0.30 1 1042 . 92 PHE HZ H 7.59 0.02 1 1043 . 92 PHE CE2 C 132.1 0.30 1 1044 . 92 PHE CD2 C 130.9 0.30 1 1045 . 92 PHE C C 176.5 0.30 1 1046 . 93 ASP N N 117.1 0.20 1 1047 . 93 ASP H H 7.72 0.02 1 1048 . 93 ASP CA C 52.3 0.30 1 1049 . 93 ASP HA H 4.60 0.02 1 1050 . 93 ASP CB C 38.8 0.30 1 1051 . 93 ASP HB2 H 2.39 0.02 2 1052 . 93 ASP HB3 H 1.47 0.02 2 1053 . 93 ASP C C 177.2 0.30 1 1054 . 94 LYS N N 126.0 0.20 1 1055 . 94 LYS H H 7.57 0.02 1 1056 . 94 LYS CA C 58.9 0.30 1 1057 . 94 LYS HA H 3.98 0.02 1 1058 . 94 LYS CB C 32.8 0.30 1 1059 . 94 LYS HB2 H 1.90 0.02 1 1060 . 94 LYS HB3 H 1.90 0.02 1 1061 . 94 LYS CG C 24.2 0.30 1 1062 . 94 LYS HG2 H 1.48 0.02 1 1063 . 94 LYS HG3 H 1.48 0.02 1 1064 . 94 LYS CD C 28.4 0.30 1 1065 . 94 LYS HD2 H 1.59 0.02 2 1066 . 94 LYS HD3 H 1.50 0.02 2 1067 . 94 LYS CE C 41.8 0.30 1 1068 . 94 LYS HE2 H 2.85 0.02 2 1069 . 94 LYS HE3 H 2.80 0.02 2 1070 . 94 LYS C C 178.3 0.30 1 1071 . 95 ASP N N 114.3 0.20 1 1072 . 95 ASP H H 8.32 0.02 1 1073 . 95 ASP CA C 53.0 0.30 1 1074 . 95 ASP HA H 4.59 0.02 1 1075 . 95 ASP CB C 39.7 0.30 1 1076 . 95 ASP HB2 H 3.11 0.02 2 1077 . 95 ASP HB3 H 2.68 0.02 2 1078 . 95 ASP C C 177.7 0.30 1 1079 . 96 GLY N N 109.5 0.20 1 1080 . 96 GLY H H 7.85 0.02 1 1081 . 96 GLY CA C 47.1 0.30 1 1082 . 96 GLY HA2 H 4.05 0.02 2 1083 . 96 GLY HA3 H 3.89 0.02 2 1084 . 96 GLY C C 175.2 0.30 1 1085 . 97 ASN N N 119.7 0.20 1 1086 . 97 ASN H H 8.43 0.02 1 1087 . 97 ASN CA C 52.6 0.30 1 1088 . 97 ASN HA H 4.68 0.02 1 1089 . 97 ASN CB C 37.8 0.30 1 1090 . 97 ASN HB2 H 3.35 0.02 2 1091 . 97 ASN HB3 H 2.69 0.02 2 1092 . 97 ASN CG C 179.9 0.30 1 1093 . 97 ASN ND2 N 116.7 0.20 1 1094 . 97 ASN HD21 H 8.07 0.02 2 1095 . 97 ASN HD22 H 7.39 0.02 2 1096 . 97 ASN C C 176.0 0.30 1 1097 . 98 GLY N N 112.6 0.20 1 1098 . 98 GLY H H 10.68 0.02 1 1099 . 98 GLY CA C 45.0 0.30 1 1100 . 98 GLY HA2 H 4.12 0.02 2 1101 . 98 GLY HA3 H 3.50 0.02 2 1102 . 98 GLY C C 172.7 0.30 1 1103 . 99 TYR N N 116.0 0.20 1 1104 . 99 TYR H H 7.70 0.02 1 1105 . 99 TYR CA C 56.0 0.30 1 1106 . 99 TYR HA H 5.18 0.02 1 1107 . 99 TYR CB C 43.1 0.30 1 1108 . 99 TYR HB2 H 2.57 0.02 1 1109 . 99 TYR HB3 H 2.57 0.02 1 1110 . 99 TYR HD1 H 6.82 0.02 1 1111 . 99 TYR HD2 H 6.82 0.02 1 1112 . 99 TYR HE1 H 7.00 0.02 1 1113 . 99 TYR HE2 H 7.00 0.02 1 1114 . 99 TYR CD1 C 133.7 0.30 1 1115 . 99 TYR CE1 C 118.3 0.30 1 1116 . 99 TYR CE2 C 118.3 0.30 1 1117 . 99 TYR CD2 C 133.7 0.30 1 1118 . 99 TYR C C 174.9 0.30 1 1119 . 100 ILE N N 127.1 0.20 1 1120 . 100 ILE H H 10.28 0.02 1 1121 . 100 ILE CA C 61.4 0.30 1 1122 . 100 ILE HA H 4.75 0.02 1 1123 . 100 ILE CB C 39.7 0.30 1 1124 . 100 ILE HB H 1.97 0.02 1 1125 . 100 ILE HG2 H 1.11 0.02 1 1126 . 100 ILE CG2 C 17.4 0.30 1 1127 . 100 ILE CG1 C 27.0 0.30 1 1128 . 100 ILE HG12 H 1.38 0.02 2 1129 . 100 ILE HG13 H 0.27 0.02 2 1130 . 100 ILE HD1 H 0.50 0.02 1 1131 . 100 ILE CD1 C 16.1 0.30 1 1132 . 100 ILE C C 175.5 0.30 1 1133 . 101 SER N N 123.4 0.20 1 1134 . 101 SER H H 8.93 0.02 1 1135 . 101 SER CA C 55.6 0.30 1 1136 . 101 SER HA H 5.03 0.02 1 1137 . 101 SER CB C 67.0 0.30 1 1138 . 101 SER HB2 H 4.51 0.02 2 1139 . 101 SER HB3 H 4.04 0.02 2 1140 . 101 SER C C 175.5 0.30 1 1141 . 102 ALA N N 123.1 0.20 1 1142 . 102 ALA H H 9.33 0.02 1 1143 . 102 ALA CA C 55.9 0.30 1 1144 . 102 ALA HA H 3.92 0.02 1 1145 . 102 ALA HB H 1.52 0.02 1 1146 . 102 ALA CB C 18.0 0.30 1 1147 . 102 ALA C C 179.9 0.30 1 1148 . 103 ALA N N 118.3 0.20 1 1149 . 103 ALA H H 8.28 0.02 1 1150 . 103 ALA CA C 55.3 0.30 1 1151 . 103 ALA HA H 4.04 0.02 1 1152 . 103 ALA HB H 1.45 0.02 1 1153 . 103 ALA CB C 18.3 0.30 1 1154 . 103 ALA C C 181.3 0.30 1 1155 . 104 GLU N N 120.2 0.20 1 1156 . 104 GLU H H 7.93 0.02 1 1157 . 104 GLU CA C 59.4 0.30 1 1158 . 104 GLU HA H 4.05 0.02 1 1159 . 104 GLU CB C 28.9 0.30 1 1160 . 104 GLU HB2 H 2.61 0.02 1 1161 . 104 GLU HB3 H 2.61 0.02 1 1162 . 104 GLU CG C 38.3 0.30 1 1163 . 104 GLU HG2 H 2.61 0.02 2 1164 . 104 GLU HG3 H 2.38 0.02 2 1165 . 104 GLU C C 179.5 0.30 1 1166 . 105 LEU N N 121.8 0.20 1 1167 . 105 LEU H H 8.35 0.02 1 1168 . 105 LEU CA C 58.1 0.30 1 1169 . 105 LEU HA H 4.13 0.02 1 1170 . 105 LEU CB C 41.8 0.30 1 1171 . 105 LEU HB2 H 1.83 0.02 2 1172 . 105 LEU HB3 H 1.28 0.02 2 1173 . 105 LEU CG C 26.8 0.30 1 1174 . 105 LEU HG H 1.32 0.02 1 1175 . 105 LEU HD1 H 0.34 0.02 2 1176 . 105 LEU HD2 H 0.50 0.02 2 1177 . 105 LEU CD1 C 25.5 0.30 1 1178 . 105 LEU CD2 C 23.5 0.30 1 1179 . 105 LEU C C 178.3 0.30 1 1180 . 106 ARG N N 118.6 0.20 1 1181 . 106 ARG H H 8.79 0.02 1 1182 . 106 ARG CA C 60.0 0.30 1 1183 . 106 ARG HA H 3.80 0.02 1 1184 . 106 ARG CB C 30.3 0.30 1 1185 . 106 ARG HB2 H 1.99 0.02 1 1186 . 106 ARG HB3 H 1.99 0.02 1 1187 . 106 ARG CG C 28.1 0.30 1 1188 . 106 ARG HG2 H 1.73 0.02 2 1189 . 106 ARG HG3 H 1.63 0.02 2 1190 . 106 ARG CD C 43.5 0.30 1 1191 . 106 ARG HD2 H 3.29 0.02 2 1192 . 106 ARG HD3 H 3.17 0.02 2 1193 . 106 ARG C C 178.7 0.30 1 1194 . 107 HIS N N 119.7 0.20 1 1195 . 107 HIS H H 8.06 0.02 1 1196 . 107 HIS CA C 59.6 0.30 1 1197 . 107 HIS HA H 4.33 0.02 1 1198 . 107 HIS CB C 30.0 0.30 1 1199 . 107 HIS HB2 H 3.43 0.02 2 1200 . 107 HIS HB3 H 3.33 0.02 2 1201 . 107 HIS CD2 C 118.5 0.30 1 1202 . 107 HIS CE1 C 138.8 0.30 1 1203 . 107 HIS HD2 H 6.98 0.02 1 1204 . 107 HIS HE1 H 7.88 0.02 1 1205 . 107 HIS C C 177.6 0.30 1 1206 . 108 VAL N N 119.4 0.20 1 1207 . 108 VAL H H 7.90 0.02 1 1208 . 108 VAL CA C 66.7 0.30 1 1209 . 108 VAL HA H 3.58 0.02 1 1210 . 108 VAL CB C 31.7 0.30 1 1211 . 108 VAL HB H 2.20 0.02 1 1212 . 108 VAL HG1 H 0.99 0.02 2 1213 . 108 VAL HG2 H 0.69 0.02 2 1214 . 108 VAL CG1 C 23.0 0.30 1 1215 . 108 VAL CG2 C 21.4 0.30 1 1216 . 108 VAL C C 178.1 0.30 1 1217 . 109 MET N N 116.5 0.20 1 1218 . 109 MET H H 8.25 0.02 1 1219 . 109 MET CA C 59.2 0.30 1 1220 . 109 MET HA H 3.94 0.02 1 1221 . 109 MET CB C 31.9 0.30 1 1222 . 109 MET HB2 H 2.13 0.02 2 1223 . 109 MET HB3 H 2.05 0.02 2 1224 . 109 MET CG C 33.3 0.30 1 1225 . 109 MET HG2 H 2.58 0.02 2 1226 . 109 MET HG3 H 2.44 0.02 2 1227 . 109 MET HE H 1.88 0.02 1 1228 . 109 MET CE C 17.9 0.30 1 1229 . 109 MET C C 178.6 0.30 1 1230 . 110 THR N N 115.7 0.20 1 1231 . 110 THR H H 8.50 0.02 1 1232 . 110 THR CA C 66.5 0.30 1 1233 . 110 THR HA H 4.07 0.02 1 1234 . 110 THR CB C 68.8 0.30 1 1235 . 110 THR HB H 4.28 0.02 1 1236 . 110 THR HG2 H 1.28 0.02 1 1237 . 110 THR CG2 C 21.8 0.30 1 1238 . 110 THR C C 178.1 0.30 1 1239 . 111 ASN N N 122.5 0.20 1 1240 . 111 ASN H H 7.98 0.02 1 1241 . 111 ASN CA C 56.0 0.30 1 1242 . 111 ASN HA H 4.46 0.02 1 1243 . 111 ASN CB C 38.3 0.30 1 1244 . 111 ASN HB2 H 2.84 0.02 1 1245 . 111 ASN HB3 H 2.84 0.02 1 1246 . 111 ASN CG C 176.3 0.30 1 1247 . 111 ASN ND2 N 111.9 0.20 1 1248 . 111 ASN HD21 H 7.53 0.02 2 1249 . 111 ASN HD22 H 6.53 0.02 2 1250 . 111 ASN C C 176.7 0.30 1 1251 . 112 LEU N N 117.6 0.20 1 1252 . 112 LEU H H 7.63 0.02 1 1253 . 112 LEU CA C 55.0 0.30 1 1254 . 112 LEU HA H 4.38 0.02 1 1255 . 112 LEU CB C 43.0 0.30 1 1256 . 112 LEU HB2 H 1.85 0.02 2 1257 . 112 LEU HB3 H 1.77 0.02 2 1258 . 112 LEU CG C 26.4 0.30 1 1259 . 112 LEU HG H 1.92 0.02 1 1260 . 112 LEU HD1 H 0.85 0.02 2 1261 . 112 LEU HD2 H 0.97 0.02 2 1262 . 112 LEU CD1 C 26.6 0.30 1 1263 . 112 LEU CD2 C 22.6 0.30 1 1264 . 112 LEU C C 177.5 0.30 1 1265 . 113 GLY N N 107.6 0.20 1 1266 . 113 GLY H H 7.85 0.02 1 1267 . 113 GLY CA C 45.8 0.30 1 1268 . 113 GLY HA2 H 4.20 0.02 2 1269 . 113 GLY HA3 H 3.82 0.02 2 1270 . 113 GLY C C 174.8 0.30 1 1271 . 114 GLU N N 119.7 0.20 1 1272 . 114 GLU H H 7.79 0.02 1 1273 . 114 GLU CA C 55.7 0.30 1 1274 . 114 GLU HA H 4.28 0.02 1 1275 . 114 GLU CB C 31.0 0.30 1 1276 . 114 GLU HB2 H 2.02 0.02 2 1277 . 114 GLU HB3 H 1.72 0.02 2 1278 . 114 GLU CG C 35.8 0.30 1 1279 . 114 GLU HG2 H 2.18 0.02 2 1280 . 114 GLU HG3 H 2.06 0.02 2 1281 . 114 GLU C C 175.8 0.30 1 1282 . 115 LYS N N 123.5 0.20 1 1283 . 115 LYS H H 8.54 0.02 1 1284 . 115 LYS CA C 55.6 0.30 1 1285 . 115 LYS HA H 4.41 0.02 1 1286 . 115 LYS CB C 32.4 0.30 1 1287 . 115 LYS HB2 H 1.83 0.02 2 1288 . 115 LYS HB3 H 1.67 0.02 2 1289 . 115 LYS CG C 24.6 0.30 1 1290 . 115 LYS HG2 H 1.43 0.02 2 1291 . 115 LYS HG3 H 1.35 0.02 2 1292 . 115 LYS CD C 29.0 0.30 1 1293 . 115 LYS HD2 H 1.67 0.02 1 1294 . 115 LYS HD3 H 1.67 0.02 1 1295 . 115 LYS CE C 42.3 0.30 1 1296 . 115 LYS HE2 H 3.00 0.02 1 1297 . 115 LYS HE3 H 3.00 0.02 1 1298 . 115 LYS C C 175.5 0.30 1 1299 . 116 LEU N N 124.2 0.20 1 1300 . 116 LEU H H 7.89 0.02 1 1301 . 116 LEU CA C 54.5 0.30 1 1302 . 116 LEU HA H 4.74 0.02 1 1303 . 116 LEU CB C 44.0 0.30 1 1304 . 116 LEU HB2 H 1.67 0.02 2 1305 . 116 LEU HB3 H 1.48 0.02 2 1306 . 116 LEU CG C 27.6 0.30 1 1307 . 116 LEU HG H 1.63 0.02 1 1308 . 116 LEU HD1 H 0.81 0.02 2 1309 . 116 LEU HD2 H 0.78 0.02 2 1310 . 116 LEU CD1 C 25.1 0.30 1 1311 . 116 LEU CD2 C 26.2 0.30 1 1312 . 116 LEU C C 177.4 0.30 1 1313 . 117 THR N N 113.2 0.20 1 1314 . 117 THR H H 8.71 0.02 1 1315 . 117 THR CA C 60.9 0.30 1 1316 . 117 THR HA H 4.50 0.02 1 1317 . 117 THR CB C 71.3 0.30 1 1318 . 117 THR HB H 4.70 0.02 1 1319 . 117 THR HG2 H 1.33 0.02 1 1320 . 117 THR CG2 C 21.9 0.30 1 1321 . 117 THR C C 175.5 0.30 1 1322 . 118 ASP N N 121.6 0.20 1 1323 . 118 ASP H H 8.87 0.02 1 1324 . 118 ASP CA C 58.0 0.30 1 1325 . 118 ASP HA H 4.25 0.02 1 1326 . 118 ASP CB C 39.8 0.30 1 1327 . 118 ASP HB2 H 2.75 0.02 2 1328 . 118 ASP HB3 H 2.60 0.02 2 1329 . 118 ASP C C 178.5 0.30 1 1330 . 119 GLU N N 119.0 0.20 1 1331 . 119 GLU H H 8.73 0.02 1 1332 . 119 GLU CA C 59.7 0.30 1 1333 . 119 GLU HA H 4.13 0.02 1 1334 . 119 GLU CB C 29.1 0.30 1 1335 . 119 GLU HB2 H 2.42 0.02 2 1336 . 119 GLU HB3 H 2.32 0.02 2 1337 . 119 GLU CG C 36.7 0.30 1 1338 . 119 GLU HG2 H 2.08 0.02 2 1339 . 119 GLU HG3 H 1.99 0.02 2 1340 . 119 GLU C C 179.1 0.30 1 1341 . 120 GLU N N 120.9 0.20 1 1342 . 120 GLU H H 7.71 0.02 1 1343 . 120 GLU CA C 59.3 0.30 1 1344 . 120 GLU HA H 4.03 0.02 1 1345 . 120 GLU CB C 30.4 0.30 1 1346 . 120 GLU HB2 H 2.35 0.02 1 1347 . 120 GLU HB3 H 2.35 0.02 1 1348 . 120 GLU CG C 37.4 0.30 1 1349 . 120 GLU HG2 H 2.37 0.02 1 1350 . 120 GLU HG3 H 2.37 0.02 1 1351 . 120 GLU C C 179.5 0.30 1 1352 . 121 VAL N N 120.7 0.20 1 1353 . 121 VAL H H 7.85 0.02 1 1354 . 121 VAL CA C 66.7 0.30 1 1355 . 121 VAL HA H 3.50 0.02 1 1356 . 121 VAL CB C 31.4 0.30 1 1357 . 121 VAL HB H 2.18 0.02 1 1358 . 121 VAL HG1 H 0.93 0.02 1 1359 . 121 VAL HG2 H 0.93 0.02 1 1360 . 121 VAL CG1 C 23.7 0.30 1 1361 . 121 VAL CG2 C 22.3 0.30 1 1362 . 121 VAL C C 177.5 0.30 1 1363 . 122 ASP N N 119.2 0.20 1 1364 . 122 ASP H H 8.11 0.02 1 1365 . 122 ASP CA C 57.7 0.30 1 1366 . 122 ASP HA H 4.36 0.02 1 1367 . 122 ASP CB C 40.5 0.30 1 1368 . 122 ASP HB2 H 2.78 0.02 2 1369 . 122 ASP HB3 H 2.66 0.02 2 1370 . 122 ASP C C 179.1 0.30 1 1371 . 123 GLU N N 119.8 0.20 1 1372 . 123 GLU H H 7.97 0.02 1 1373 . 123 GLU CA C 59.4 0.30 1 1374 . 123 GLU HA H 4.07 0.02 1 1375 . 123 GLU CB C 30.0 0.30 1 1376 . 123 GLU HB2 H 2.24 0.02 1 1377 . 123 GLU HB3 H 2.24 0.02 1 1378 . 123 GLU CG C 36.6 0.30 1 1379 . 123 GLU HG2 H 2.35 0.02 1 1380 . 123 GLU HG3 H 2.35 0.02 1 1381 . 123 GLU C C 177.6 0.30 1 1382 . 124 MET N N 118.5 0.20 1 1383 . 124 MET H H 7.72 0.02 1 1384 . 124 MET CA C 60.5 0.30 1 1385 . 124 MET HA H 3.95 0.02 1 1386 . 124 MET CB C 32.8 0.30 1 1387 . 124 MET HB2 H 2.05 0.02 1 1388 . 124 MET HB3 H 2.05 0.02 1 1389 . 124 MET CG C 33.5 0.30 1 1390 . 124 MET HG2 H 2.84 0.02 1 1391 . 124 MET HG3 H 2.84 0.02 1 1392 . 124 MET HE H 1.35 0.02 1 1393 . 124 MET CE C 16.8 0.30 1 1394 . 124 MET C C 179.3 0.30 1 1395 . 125 ILE N N 118.2 0.20 1 1396 . 125 ILE H H 7.67 0.02 1 1397 . 125 ILE CA C 62.5 0.30 1 1398 . 125 ILE HA H 3.97 0.02 1 1399 . 125 ILE CB C 35.9 0.30 1 1400 . 125 ILE HB H 2.37 0.02 1 1401 . 125 ILE HG2 H 0.85 0.02 1 1402 . 125 ILE CG2 C 16.8 0.30 1 1403 . 125 ILE CG1 C 26.9 0.30 1 1404 . 125 ILE HG12 H 1.77 0.02 2 1405 . 125 ILE HG13 H 1.36 0.02 2 1406 . 125 ILE HD1 H 0.79 0.02 1 1407 . 125 ILE CD1 C 9.5 0.30 1 1408 . 125 ILE C C 177.2 0.30 1 1409 . 126 ARG N N 117.9 0.20 1 1410 . 126 ARG H H 8.58 0.02 1 1411 . 126 ARG CA C 60.0 0.30 1 1412 . 126 ARG HA H 4.17 0.02 1 1413 . 126 ARG CB C 30.8 0.30 1 1414 . 126 ARG HB2 H 2.02 0.02 2 1415 . 126 ARG HB3 H 1.95 0.02 2 1416 . 126 ARG CG C 27.7 0.30 1 1417 . 126 ARG HG2 H 1.82 0.02 2 1418 . 126 ARG HG3 H 1.67 0.02 2 1419 . 126 ARG CD C 43.6 0.30 1 1420 . 126 ARG HD2 H 3.29 0.02 1 1421 . 126 ARG HD3 H 3.29 0.02 1 1422 . 126 ARG C C 179.9 0.30 1 1423 . 127 GLU N N 113.6 0.20 1 1424 . 127 GLU H H 8.34 0.02 1 1425 . 127 GLU CA C 57.7 0.30 1 1426 . 127 GLU HA H 4.41 0.02 1 1427 . 127 GLU CB C 29.4 0.30 1 1428 . 127 GLU HB2 H 2.19 0.02 2 1429 . 127 GLU HB3 H 2.09 0.02 2 1430 . 127 GLU CG C 35.3 0.30 1 1431 . 127 GLU HG2 H 2.69 0.02 2 1432 . 127 GLU HG3 H 2.38 0.02 2 1433 . 127 GLU C C 177.4 0.30 1 1434 . 128 ALA N N 118.7 0.20 1 1435 . 128 ALA H H 7.29 0.02 1 1436 . 128 ALA CA C 52.1 0.30 1 1437 . 128 ALA HA H 4.55 0.02 1 1438 . 128 ALA HB H 1.49 0.02 1 1439 . 128 ALA CB C 21.1 0.30 1 1440 . 128 ALA C C 177.1 0.30 1 1441 . 129 ASP N N 118.1 0.20 1 1442 . 129 ASP H H 7.67 0.02 1 1443 . 129 ASP CA C 54.0 0.30 1 1444 . 129 ASP HA H 4.52 0.02 1 1445 . 129 ASP CB C 40.9 0.30 1 1446 . 129 ASP HB2 H 3.03 0.02 2 1447 . 129 ASP HB3 H 2.61 0.02 2 1448 . 129 ASP C C 175.8 0.30 1 1449 . 130 ILE N N 127.1 0.20 1 1450 . 130 ILE H H 8.15 0.02 1 1451 . 130 ILE CA C 63.5 0.30 1 1452 . 130 ILE HA H 3.94 0.02 1 1453 . 130 ILE CB C 38.6 0.30 1 1454 . 130 ILE HB H 2.03 0.02 1 1455 . 130 ILE HG2 H 0.97 0.02 1 1456 . 130 ILE CG2 C 17.4 0.30 1 1457 . 130 ILE CG1 C 27.9 0.30 1 1458 . 130 ILE HG12 H 1.75 0.02 2 1459 . 130 ILE HG13 H 1.34 0.02 2 1460 . 130 ILE HD1 H 0.94 0.02 1 1461 . 130 ILE CD1 C 12.7 0.30 1 1462 . 130 ILE C C 178.1 0.30 1 1463 . 131 ASP N N 116.8 0.20 1 1464 . 131 ASP H H 8.47 0.02 1 1465 . 131 ASP CA C 53.9 0.30 1 1466 . 131 ASP HA H 4.52 0.02 1 1467 . 131 ASP CB C 40.0 0.30 1 1468 . 131 ASP HB2 H 3.13 0.02 2 1469 . 131 ASP HB3 H 2.68 0.02 2 1470 . 131 ASP C C 178.3 0.30 1 1471 . 132 GLY N N 108.8 0.20 1 1472 . 132 GLY H H 7.72 0.02 1 1473 . 132 GLY CA C 47.5 0.30 1 1474 . 132 GLY HA2 H 4.05 0.02 2 1475 . 132 GLY HA3 H 3.89 0.02 2 1476 . 132 GLY C C 175.4 0.30 1 1477 . 133 ASP N N 121.1 0.20 1 1478 . 133 ASP H H 8.43 0.02 1 1479 . 133 ASP CA C 53.6 0.30 1 1480 . 133 ASP HA H 4.49 0.02 1 1481 . 133 ASP CB C 40.1 0.30 1 1482 . 133 ASP HB2 H 3.01 0.02 2 1483 . 133 ASP HB3 H 2.53 0.02 2 1484 . 133 ASP C C 177.6 0.30 1 1485 . 134 GLY N N 112.7 0.20 1 1486 . 134 GLY H H 10.33 0.02 1 1487 . 134 GLY CA C 45.9 0.30 1 1488 . 134 GLY HA2 H 4.11 0.02 2 1489 . 134 GLY HA3 H 3.52 0.02 2 1490 . 134 GLY C C 172.8 0.30 1 1491 . 135 GLN N N 114.9 0.20 1 1492 . 135 GLN H H 7.97 0.02 1 1493 . 135 GLN CA C 53.6 0.30 1 1494 . 135 GLN HA H 4.95 0.02 1 1495 . 135 GLN CB C 33.1 0.30 1 1496 . 135 GLN HB2 H 2.00 0.02 1 1497 . 135 GLN HB3 H 2.00 0.02 1 1498 . 135 GLN CG C 32.5 0.30 1 1499 . 135 GLN HG2 H 2.14 0.02 2 1500 . 135 GLN HG3 H 1.74 0.02 2 1501 . 135 GLN CD C 178.7 0.30 1 1502 . 135 GLN NE2 N 108.6 0.20 1 1503 . 135 GLN HE21 H 6.44 0.02 2 1504 . 135 GLN HE22 H 5.90 0.02 2 1505 . 135 GLN C C 174.9 0.30 1 1506 . 136 VAL N N 125.8 0.20 1 1507 . 136 VAL H H 9.14 0.02 1 1508 . 136 VAL CA C 62.0 0.30 1 1509 . 136 VAL HA H 5.27 0.02 1 1510 . 136 VAL CB C 34.1 0.30 1 1511 . 136 VAL HB H 2.40 0.02 1 1512 . 136 VAL HG1 H 1.25 0.02 2 1513 . 136 VAL HG2 H 1.17 0.02 2 1514 . 136 VAL CG1 C 23.7 0.30 1 1515 . 136 VAL CG2 C 21.6 0.30 1 1516 . 136 VAL C C 175.8 0.30 1 1517 . 137 ASN N N 129.3 0.20 1 1518 . 137 ASN H H 9.68 0.02 1 1519 . 137 ASN CA C 51.1 0.30 1 1520 . 137 ASN HA H 5.38 0.02 1 1521 . 137 ASN CB C 38.6 0.30 1 1522 . 137 ASN HB2 H 3.25 0.02 1 1523 . 137 ASN HB3 H 3.25 0.02 1 1524 . 137 ASN CG C 175.5 0.30 1 1525 . 137 ASN ND2 N 108.3 0.20 1 1526 . 137 ASN HD21 H 7.21 0.02 2 1527 . 137 ASN HD22 H 6.86 0.02 2 1528 . 137 ASN C C 174.7 0.30 1 1529 . 138 TYR N N 118.8 0.20 1 1530 . 138 TYR H H 8.26 0.02 1 1531 . 138 TYR CA C 62.4 0.30 1 1532 . 138 TYR HA H 3.28 0.02 1 1533 . 138 TYR CB C 37.9 0.30 1 1534 . 138 TYR HB2 H 2.38 0.02 2 1535 . 138 TYR HB3 H 2.02 0.02 2 1536 . 138 TYR HD1 H 6.41 0.02 1 1537 . 138 TYR HD2 H 6.41 0.02 1 1538 . 138 TYR HE1 H 6.59 0.02 1 1539 . 138 TYR HE2 H 6.59 0.02 1 1540 . 138 TYR CD1 C 132.5 0.30 1 1541 . 138 TYR CE1 C 118.0 0.30 1 1542 . 138 TYR CE2 C 118.0 0.30 1 1543 . 138 TYR CD2 C 132.5 0.30 1 1544 . 138 TYR C C 176.1 0.30 1 1545 . 139 GLU N N 118.4 0.20 1 1546 . 139 GLU H H 7.99 0.02 1 1547 . 139 GLU CA C 60.2 0.30 1 1548 . 139 GLU HA H 3.65 0.02 1 1549 . 139 GLU CB C 29.0 0.30 1 1550 . 139 GLU HB2 H 2.09 0.02 2 1551 . 139 GLU HB3 H 1.97 0.02 2 1552 . 139 GLU CG C 36.9 0.30 1 1553 . 139 GLU HG2 H 2.35 0.02 2 1554 . 139 GLU HG3 H 2.29 0.02 2 1555 . 139 GLU C C 180.0 0.30 1 1556 . 140 GLU N N 119.8 0.20 1 1557 . 140 GLU H H 8.67 0.02 1 1558 . 140 GLU CA C 58.9 0.30 1 1559 . 140 GLU HA H 3.86 0.02 1 1560 . 140 GLU CB C 29.5 0.30 1 1561 . 140 GLU HB2 H 2.55 0.02 2 1562 . 140 GLU HB3 H 2.29 0.02 2 1563 . 140 GLU CG C 37.2 0.30 1 1564 . 140 GLU HG2 H 2.91 0.02 2 1565 . 140 GLU HG3 H 2.39 0.02 2 1566 . 140 GLU C C 179.0 0.30 1 1567 . 141 PHE N N 123.5 0.20 1 1568 . 141 PHE H H 8.46 0.02 1 1569 . 141 PHE CA C 61.8 0.30 1 1570 . 141 PHE HA H 3.62 0.02 1 1571 . 141 PHE CB C 40.5 0.30 1 1572 . 141 PHE HB2 H 3.22 0.02 2 1573 . 141 PHE HB3 H 3.00 0.02 2 1574 . 141 PHE HD1 H 6.70 0.02 1 1575 . 141 PHE HD2 H 6.70 0.02 1 1576 . 141 PHE HE1 H 7.20 0.02 1 1577 . 141 PHE HE2 H 7.20 0.02 1 1578 . 141 PHE CD1 C 131.9 0.30 1 1579 . 141 PHE CE1 C 131.7 0.30 1 1580 . 141 PHE CZ C 129.3 0.30 1 1581 . 141 PHE HZ H 7.05 0.02 1 1582 . 141 PHE CE2 C 131.7 0.30 1 1583 . 141 PHE CD2 C 131.9 0.30 1 1584 . 141 PHE C C 176.7 0.30 1 1585 . 142 VAL N N 118.7 0.20 1 1586 . 142 VAL H H 8.66 0.02 1 1587 . 142 VAL CA C 66.7 0.30 1 1588 . 142 VAL HA H 3.13 0.02 1 1589 . 142 VAL CB C 31.4 0.30 1 1590 . 142 VAL HB H 1.71 0.02 1 1591 . 142 VAL HG1 H 0.71 0.02 2 1592 . 142 VAL HG2 H 0.47 0.02 2 1593 . 142 VAL CG1 C 21.3 0.30 1 1594 . 142 VAL CG2 C 23.2 0.30 1 1595 . 142 VAL C C 180.8 0.30 1 1596 . 143 GLN N N 119.5 0.20 1 1597 . 143 GLN H H 7.78 0.02 1 1598 . 143 GLN CA C 58.9 0.30 1 1599 . 143 GLN HA H 3.79 0.02 1 1600 . 143 GLN CB C 28.1 0.30 1 1601 . 143 GLN HB2 H 2.03 0.02 1 1602 . 143 GLN HB3 H 2.03 0.02 1 1603 . 143 GLN CG C 34.1 0.30 1 1604 . 143 GLN HG2 H 2.39 0.02 1 1605 . 143 GLN HG3 H 2.39 0.02 1 1606 . 143 GLN CD C 179.7 0.30 1 1607 . 143 GLN NE2 N 111.6 0.20 1 1608 . 143 GLN HE21 H 7.41 0.02 2 1609 . 143 GLN HE22 H 6.72 0.02 2 1610 . 143 GLN C C 177.8 0.30 1 1611 . 144 MET N N 117.8 0.20 1 1612 . 144 MET H H 7.11 0.02 1 1613 . 144 MET CA C 57.9 0.30 1 1614 . 144 MET HA H 3.48 0.02 1 1615 . 144 MET CB C 32.2 0.30 1 1616 . 144 MET HB2 H 1.42 0.02 2 1617 . 144 MET HB3 H 1.27 0.02 2 1618 . 144 MET CG C 29.3 0.30 1 1619 . 144 MET HG2 H 1.01 0.02 2 1620 . 144 MET HG3 H 0.86 0.02 2 1621 . 144 MET HE H 0.41 0.02 1 1622 . 144 MET CE C 15.7 0.30 1 1623 . 144 MET C C 177.1 0.30 1 1624 . 145 MET N N 114.0 0.20 1 1625 . 145 MET H H 7.45 0.02 1 1626 . 145 MET CA C 55.2 0.30 1 1627 . 145 MET HA H 4.13 0.02 1 1628 . 145 MET CB C 32.1 0.30 1 1629 . 145 MET HB2 H 1.79 0.02 2 1630 . 145 MET HB3 H 1.66 0.02 2 1631 . 145 MET CG C 32.5 0.30 1 1632 . 145 MET HG2 H 1.83 0.02 1 1633 . 145 MET HG3 H 1.83 0.02 1 1634 . 145 MET HE H 1.66 0.02 1 1635 . 145 MET CE C 18.0 0.30 1 1636 . 145 MET C C 177.4 0.30 1 1637 . 146 THR N N 110.0 0.20 1 1638 . 146 THR H H 7.55 0.02 1 1639 . 146 THR CA C 61.9 0.30 1 1640 . 146 THR HA H 4.32 0.02 1 1641 . 146 THR CB C 70.0 0.30 1 1642 . 146 THR HB H 4.28 0.02 1 1643 . 146 THR HG2 H 1.15 0.02 1 1644 . 146 THR CG2 C 21.5 0.30 1 1645 . 146 THR C C 174.1 0.30 1 1646 . 147 ALA N N 126.9 0.20 1 1647 . 147 ALA H H 7.54 0.02 1 1648 . 147 ALA CA C 53.0 0.30 1 1649 . 147 ALA HA H 4.33 0.02 1 1650 . 147 ALA HB H 1.52 0.02 1 1651 . 147 ALA CB C 19.0 0.30 1 1652 . 147 ALA C C 176.7 0.30 1 1653 . 148 LYS N N 126.0 0.20 1 1654 . 148 LYS H H 7.84 0.02 1 1655 . 148 LYS CA C 57.6 0.30 1 1656 . 148 LYS HA H 4.21 0.02 1 1657 . 148 LYS CB C 34.0 0.30 1 1658 . 148 LYS HB2 H 1.86 0.02 2 1659 . 148 LYS HB3 H 1.73 0.02 2 1660 . 148 LYS CG C 24.7 0.30 1 1661 . 148 LYS HG2 H 1.43 0.02 1 1662 . 148 LYS HG3 H 1.43 0.02 1 1663 . 148 LYS CD C 29.2 0.30 1 1664 . 148 LYS HD2 H 1.70 0.02 1 1665 . 148 LYS HD3 H 1.70 0.02 1 1666 . 148 LYS CE C 42.1 0.30 1 1667 . 148 LYS HE2 H 3.03 0.02 1 1668 . 148 LYS HE3 H 3.03 0.02 1 stop_ save_ save_shift_set_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'glutamate decarboxylase peptide A' _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 . 3 HIS CA C 55.9 0.30 1 2 . 3 HIS HA H 4.71 0.02 1 3 . 3 HIS CB C 30.2 0.30 1 4 . 3 HIS HB2 H 3.22 0.02 2 5 . 3 HIS HB3 H 3.16 0.02 2 6 . 3 HIS CD2 C 119.7 0.30 1 7 . 3 HIS HD2 H 7.14 0.02 1 8 . 3 HIS C C 174.5 0.30 1 9 . 4 LYS N N 123.8 0.20 1 10 . 4 LYS H H 8.32 0.02 1 11 . 4 LYS CA C 55.9 0.30 1 12 . 4 LYS HA H 4.31 0.02 1 13 . 4 LYS CB C 33.1 0.30 1 14 . 4 LYS HB2 H 1.85 0.02 1 15 . 4 LYS HB3 H 1.85 0.02 1 16 . 4 LYS CG C 24.5 0.30 1 17 . 4 LYS HG2 H 1.45 0.02 1 18 . 4 LYS HG3 H 1.45 0.02 1 19 . 4 LYS CD C 28.9 0.30 1 20 . 4 LYS HD2 H 1.72 0.02 1 21 . 4 LYS HD3 H 1.72 0.02 1 22 . 4 LYS CE C 42.2 0.30 1 23 . 4 LYS HE2 H 3.04 0.02 1 24 . 4 LYS HE3 H 3.04 0.02 1 25 . 4 LYS C C 176.3 0.30 1 26 . 5 LYS N N 124.2 0.20 1 27 . 5 LYS H H 8.42 0.02 1 28 . 5 LYS CA C 56.5 0.30 1 29 . 5 LYS HA H 4.46 0.02 1 30 . 5 LYS CB C 34.5 0.30 1 31 . 5 LYS HB2 H 1.85 0.02 2 32 . 5 LYS HB3 H 1.68 0.02 2 33 . 5 LYS CG C 25.7 0.30 1 34 . 5 LYS HG2 H 1.49 0.02 1 35 . 5 LYS HG3 H 1.49 0.02 1 36 . 5 LYS CD C 29.8 0.30 1 37 . 5 LYS HD2 H 1.69 0.02 1 38 . 5 LYS HD3 H 1.69 0.02 1 39 . 5 LYS CE C 42.0 0.30 1 40 . 5 LYS HE2 H 2.97 0.02 1 41 . 5 LYS HE3 H 2.97 0.02 1 42 . 5 LYS C C 177.3 0.30 1 43 . 6 THR N N 114.3 0.20 1 44 . 6 THR H H 8.65 0.02 1 45 . 6 THR CA C 61.2 0.30 1 46 . 6 THR HA H 4.44 0.02 1 47 . 6 THR CB C 70.9 0.30 1 48 . 6 THR HB H 4.65 0.02 1 49 . 6 THR HG2 H 1.37 0.02 1 50 . 6 THR CG2 C 22.0 0.30 1 51 . 6 THR C C 175.2 0.30 1 52 . 7 ASP N N 121.3 0.20 1 53 . 7 ASP H H 8.76 0.02 1 54 . 7 ASP CA C 57.4 0.30 1 55 . 7 ASP HA H 4.33 0.02 1 56 . 7 ASP CB C 39.7 0.30 1 57 . 7 ASP HB2 H 2.71 0.02 2 58 . 7 ASP HB3 H 2.64 0.02 2 59 . 7 ASP C C 178.6 0.30 1 60 . 8 SER N N 114.0 0.20 1 61 . 8 SER H H 8.31 0.02 1 62 . 8 SER CA C 61.5 0.30 1 63 . 8 SER HA H 4.25 0.02 1 64 . 8 SER CB C 62.6 0.30 1 65 . 8 SER HB2 H 3.90 0.02 1 66 . 8 SER HB3 H 3.90 0.02 1 67 . 8 SER C C 176.3 0.30 1 68 . 9 GLU N N 122.8 0.20 1 69 . 9 GLU H H 7.68 0.02 1 70 . 9 GLU CA C 59.8 0.30 1 71 . 9 GLU HA H 4.06 0.02 1 72 . 9 GLU CB C 30.2 0.30 1 73 . 9 GLU HB2 H 2.07 0.02 1 74 . 9 GLU HB3 H 2.07 0.02 1 75 . 9 GLU CG C 37.3 0.30 1 76 . 9 GLU HG2 H 2.46 0.02 2 77 . 9 GLU HG3 H 2.33 0.02 2 78 . 9 GLU C C 179.5 0.30 1 79 . 10 VAL N N 120.5 0.20 1 80 . 10 VAL H H 8.16 0.02 1 81 . 10 VAL CA C 66.4 0.30 1 82 . 10 VAL HA H 3.78 0.02 1 83 . 10 VAL CB C 32.2 0.30 1 84 . 10 VAL HB H 2.26 0.02 1 85 . 10 VAL HG1 H 1.10 0.02 2 86 . 10 VAL HG2 H 1.13 0.02 2 87 . 10 VAL CG1 C 23.1 0.30 1 88 . 10 VAL CG2 C 21.8 0.30 1 89 . 10 VAL C C 178.4 0.30 1 90 . 11 GLN N N 118.2 0.20 1 91 . 11 GLN H H 8.43 0.02 1 92 . 11 GLN CA C 60.0 0.30 1 93 . 11 GLN HA H 3.93 0.02 1 94 . 11 GLN CB C 28.5 0.30 1 95 . 11 GLN HB2 H 1.76 0.02 1 96 . 11 GLN HB3 H 1.76 0.02 1 97 . 11 GLN CG C 34.7 0.30 1 98 . 11 GLN HG2 H 2.58 0.02 1 99 . 11 GLN HG3 H 2.58 0.02 1 100 . 11 GLN CD C 177.7 0.30 1 101 . 11 GLN NE2 N 107.8 0.20 1 102 . 11 GLN HE21 H 6.62 0.02 2 103 . 11 GLN HE22 H 6.56 0.02 2 104 . 11 GLN C C 178.3 0.30 1 105 . 12 LEU N N 119.1 0.20 1 106 . 12 LEU H H 8.28 0.02 1 107 . 12 LEU CA C 58.3 0.30 1 108 . 12 LEU HA H 4.17 0.02 1 109 . 12 LEU CB C 41.6 0.30 1 110 . 12 LEU HB2 H 1.90 0.02 2 111 . 12 LEU HB3 H 1.82 0.02 2 112 . 12 LEU CG C 27.2 0.30 1 113 . 12 LEU HG H 1.77 0.02 1 114 . 12 LEU HD1 H 1.03 0.02 2 115 . 12 LEU HD2 H 1.01 0.02 2 116 . 12 LEU CD1 C 25.0 0.30 1 117 . 12 LEU CD2 C 23.6 0.30 1 118 . 12 LEU C C 180.1 0.30 1 119 . 13 GLU N N 121.6 0.20 1 120 . 13 GLU H H 8.30 0.02 1 121 . 13 GLU CA C 60.2 0.30 1 122 . 13 GLU HA H 4.16 0.02 1 123 . 13 GLU CB C 29.6 0.30 1 124 . 13 GLU HB2 H 2.26 0.02 1 125 . 13 GLU HB3 H 2.26 0.02 1 126 . 13 GLU CG C 36.3 0.30 1 127 . 13 GLU HG2 H 2.58 0.02 2 128 . 13 GLU HG3 H 2.37 0.02 2 129 . 13 GLU C C 180.1 0.30 1 130 . 14 MET N N 118.1 0.20 1 131 . 14 MET H H 8.54 0.02 1 132 . 14 MET CA C 57.4 0.30 1 133 . 14 MET HA H 4.72 0.02 1 134 . 14 MET CB C 33.5 0.30 1 135 . 14 MET HB2 H 3.01 0.02 2 136 . 14 MET HB3 H 2.83 0.02 2 137 . 14 MET CG C 34.0 0.30 1 138 . 14 MET HG2 H 3.08 0.02 1 139 . 14 MET HG3 H 3.08 0.02 1 140 . 14 MET HE H 2.09 0.02 1 141 . 14 MET CE C 19.4 0.30 1 142 . 14 MET C C 179.1 0.30 1 143 . 15 ILE N N 120.5 0.20 1 144 . 15 ILE H H 8.96 0.02 1 145 . 15 ILE CA C 64.0 0.30 1 146 . 15 ILE HA H 4.15 0.02 1 147 . 15 ILE CB C 36.6 0.30 1 148 . 15 ILE HB H 2.27 0.02 1 149 . 15 ILE HG2 H 1.02 0.02 1 150 . 15 ILE CG2 C 18.4 0.30 1 151 . 15 ILE CG1 C 28.6 0.30 1 152 . 15 ILE HG12 H 1.71 0.02 1 153 . 15 ILE HG13 H 1.71 0.02 1 154 . 15 ILE HD1 H 0.84 0.02 1 155 . 15 ILE CD1 C 13.0 0.30 1 156 . 15 ILE C C 178.1 0.30 1 157 . 16 THR N N 118.2 0.20 1 158 . 16 THR H H 8.47 0.02 1 159 . 16 THR CA C 67.6 0.30 1 160 . 16 THR HA H 3.94 0.02 1 161 . 16 THR CB C 68.7 0.30 1 162 . 16 THR HB H 4.44 0.02 1 163 . 16 THR HG2 H 1.33 0.02 1 164 . 16 THR CG2 C 21.3 0.30 1 165 . 16 THR C C 176.5 0.30 1 166 . 17 ALA N N 124.2 0.20 1 167 . 17 ALA H H 7.90 0.02 1 168 . 17 ALA CA C 55.4 0.30 1 169 . 17 ALA HA H 4.23 0.02 1 170 . 17 ALA HB H 1.62 0.02 1 171 . 17 ALA CB C 18.6 0.30 1 172 . 17 ALA C C 179.7 0.30 1 173 . 18 TRP N N 124.3 0.20 1 174 . 18 TRP H H 8.74 0.02 1 175 . 18 TRP CA C 59.2 0.30 1 176 . 18 TRP HA H 4.61 0.02 1 177 . 18 TRP CB C 29.7 0.30 1 178 . 18 TRP HB2 H 3.44 0.02 1 179 . 18 TRP HB3 H 3.44 0.02 1 180 . 18 TRP CD1 C 124.9 0.30 1 181 . 18 TRP CE3 C 119.7 0.30 1 182 . 18 TRP NE1 N 128.1 0.20 1 183 . 18 TRP HD1 H 7.64 0.02 1 184 . 18 TRP HE3 H 7.11 0.02 1 185 . 18 TRP CZ3 C 121.1 0.30 1 186 . 18 TRP CZ2 C 113.4 0.30 1 187 . 18 TRP HE1 H 9.95 0.02 1 188 . 18 TRP HZ3 H 6.54 0.02 1 189 . 18 TRP CH2 C 122.8 0.30 1 190 . 18 TRP HZ2 H 7.24 0.02 1 191 . 18 TRP HH2 H 6.87 0.02 1 192 . 18 TRP C C 179.7 0.30 1 193 . 19 LYS N N 119.2 0.20 1 194 . 19 LYS H H 8.94 0.02 1 195 . 19 LYS CA C 60.7 0.30 1 196 . 19 LYS HA H 4.04 0.02 1 197 . 19 LYS CB C 32.6 0.30 1 198 . 19 LYS HB2 H 2.06 0.02 2 199 . 19 LYS HB3 H 2.02 0.02 2 200 . 19 LYS CG C 25.8 0.30 1 201 . 19 LYS HG2 H 1.83 0.02 2 202 . 19 LYS HG3 H 1.51 0.02 2 203 . 19 LYS CD C 30.0 0.30 1 204 . 19 LYS HD2 H 1.69 0.02 1 205 . 19 LYS HD3 H 1.69 0.02 1 206 . 19 LYS CE C 41.5 0.30 1 207 . 19 LYS HE2 H 2.87 0.02 1 208 . 19 LYS HE3 H 2.87 0.02 1 209 . 19 LYS C C 179.6 0.30 1 210 . 20 LYS N N 120.3 0.20 1 211 . 20 LYS H H 8.14 0.02 1 212 . 20 LYS CA C 59.4 0.30 1 213 . 20 LYS HA H 4.15 0.02 1 214 . 20 LYS CB C 32.2 0.30 1 215 . 20 LYS HB2 H 2.01 0.02 1 216 . 20 LYS HB3 H 2.01 0.02 1 217 . 20 LYS CG C 24.9 0.30 1 218 . 20 LYS HG2 H 1.52 0.02 1 219 . 20 LYS HG3 H 1.52 0.02 1 220 . 20 LYS CD C 29.2 0.30 1 221 . 20 LYS HD2 H 1.74 0.02 2 222 . 20 LYS HD3 H 1.66 0.02 2 223 . 20 LYS CE C 42.2 0.30 1 224 . 20 LYS HE2 H 3.01 0.02 1 225 . 20 LYS HE3 H 3.01 0.02 1 226 . 20 LYS C C 178.0 0.30 1 227 . 21 PHE N N 121.1 0.20 1 228 . 21 PHE H H 8.34 0.02 1 229 . 21 PHE CA C 61.1 0.30 1 230 . 21 PHE HA H 4.24 0.02 1 231 . 21 PHE CB C 38.7 0.30 1 232 . 21 PHE HB2 H 3.46 0.02 2 233 . 21 PHE HB3 H 3.20 0.02 2 234 . 21 PHE HD1 H 7.29 0.02 1 235 . 21 PHE HD2 H 7.29 0.02 1 236 . 21 PHE HE1 H 7.23 0.02 1 237 . 21 PHE HE2 H 7.23 0.02 1 238 . 21 PHE CD1 C 132.6 0.30 1 239 . 21 PHE HZ H 7.11 0.02 1 240 . 21 PHE CD2 C 132.6 0.30 1 241 . 21 PHE C C 177.7 0.30 1 242 . 22 VAL N N 118.4 0.20 1 243 . 22 VAL H H 8.14 0.02 1 244 . 22 VAL CA C 66.8 0.30 1 245 . 22 VAL HA H 3.47 0.02 1 246 . 22 VAL CB C 31.9 0.30 1 247 . 22 VAL HB H 2.41 0.02 1 248 . 22 VAL HG1 H 1.47 0.02 2 249 . 22 VAL HG2 H 1.04 0.02 2 250 . 22 VAL CG1 C 24.6 0.30 1 251 . 22 VAL CG2 C 21.9 0.30 1 252 . 22 VAL C C 177.4 0.30 1 253 . 23 GLU N N 119.2 0.20 1 254 . 23 GLU H H 8.21 0.02 1 255 . 23 GLU CA C 59.3 0.30 1 256 . 23 GLU HA H 3.97 0.02 1 257 . 23 GLU CB C 29.6 0.30 1 258 . 23 GLU HB2 H 2.21 0.02 2 259 . 23 GLU HB3 H 2.17 0.02 2 260 . 23 GLU CG C 36.4 0.30 1 261 . 23 GLU HG2 H 2.44 0.02 2 262 . 23 GLU HG3 H 2.32 0.02 2 263 . 23 GLU C C 179.3 0.30 1 264 . 24 GLU N N 117.9 0.20 1 265 . 24 GLU H H 8.05 0.02 1 266 . 24 GLU CA C 58.6 0.30 1 267 . 24 GLU HA H 4.01 0.02 1 268 . 24 GLU CB C 29.4 0.30 1 269 . 24 GLU HB2 H 2.10 0.02 2 270 . 24 GLU HB3 H 2.05 0.02 2 271 . 24 GLU CG C 36.5 0.30 1 272 . 24 GLU HG2 H 2.45 0.02 2 273 . 24 GLU HG3 H 2.30 0.02 2 274 . 24 GLU C C 178.9 0.30 1 275 . 25 LYS N N 118.9 0.20 1 276 . 25 LYS H H 7.67 0.02 1 277 . 25 LYS CA C 57.4 0.30 1 278 . 25 LYS HA H 3.98 0.02 1 279 . 25 LYS CB C 32.1 0.30 1 280 . 25 LYS HB2 H 1.72 0.02 1 281 . 25 LYS HB3 H 1.72 0.02 1 282 . 25 LYS CG C 24.3 0.30 1 283 . 25 LYS HG2 H 1.29 0.02 1 284 . 25 LYS HG3 H 1.29 0.02 1 285 . 25 LYS CD C 28.5 0.30 1 286 . 25 LYS HD2 H 1.52 0.02 1 287 . 25 LYS HD3 H 1.52 0.02 1 288 . 25 LYS CE C 41.9 0.30 1 289 . 25 LYS HE2 H 2.99 0.02 2 290 . 25 LYS HE3 H 2.92 0.02 2 291 . 25 LYS C C 178.1 0.30 1 292 . 26 LYS N N 117.9 0.20 1 293 . 26 LYS H H 7.67 0.02 1 294 . 26 LYS CA C 57.2 0.30 1 295 . 26 LYS HA H 4.21 0.02 1 296 . 26 LYS CB C 32.7 0.30 1 297 . 26 LYS HB2 H 1.92 0.02 2 298 . 26 LYS HB3 H 1.83 0.02 2 299 . 26 LYS CG C 25.1 0.30 1 300 . 26 LYS HG2 H 1.46 0.02 1 301 . 26 LYS HG3 H 1.46 0.02 1 302 . 26 LYS CD C 29.4 0.30 1 303 . 26 LYS HD2 H 1.64 0.02 1 304 . 26 LYS HD3 H 1.64 0.02 1 305 . 26 LYS CE C 42.0 0.30 1 306 . 26 LYS HE2 H 2.94 0.02 1 307 . 26 LYS HE3 H 2.94 0.02 1 308 . 26 LYS C C 176.9 0.30 1 309 . 27 LYS N N 120.9 0.20 1 310 . 27 LYS H H 7.64 0.02 1 311 . 27 LYS CA C 56.8 0.30 1 312 . 27 LYS HA H 4.29 0.02 1 313 . 27 LYS CB C 32.6 0.30 1 314 . 27 LYS HB2 H 1.93 0.02 2 315 . 27 LYS HB3 H 1.85 0.02 2 316 . 27 LYS CG C 24.9 0.30 1 317 . 27 LYS HG2 H 1.54 0.02 2 318 . 27 LYS HG3 H 1.46 0.02 2 319 . 27 LYS CD C 29.3 0.30 1 320 . 27 LYS HD2 H 1.72 0.02 1 321 . 27 LYS HD3 H 1.72 0.02 1 322 . 27 LYS CE C 42.2 0.30 1 323 . 27 LYS HE2 H 3.04 0.02 1 324 . 27 LYS HE3 H 3.04 0.02 1 325 . 28 LYS N N 127.5 0.20 1 326 . 28 LYS H H 7.74 0.02 1 327 . 28 LYS CA C 57.4 0.30 1 328 . 28 LYS HA H 4.18 0.02 1 329 . 28 LYS CB C 33.6 0.30 1 330 . 28 LYS HB2 H 1.86 0.02 2 331 . 28 LYS HB3 H 1.75 0.02 2 332 . 28 LYS CG C 25.2 0.30 1 333 . 28 LYS HG2 H 1.46 0.02 1 334 . 28 LYS HG3 H 1.46 0.02 1 335 . 28 LYS CD C 29.2 0.30 1 336 . 28 LYS HD2 H 1.71 0.02 1 337 . 28 LYS HD3 H 1.71 0.02 1 338 . 28 LYS CE C 42.4 0.30 1 339 . 28 LYS HE2 H 3.04 0.02 1 340 . 28 LYS HE3 H 3.04 0.02 1 stop_ save_ save_shift_set_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'glutamate decarboxylase peptide B' _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 . 3 HIS CA C 55.9 0.30 1 2 . 3 HIS HA H 4.72 0.02 1 3 . 3 HIS CB C 30.2 0.30 1 4 . 3 HIS HB2 H 3.23 0.02 2 5 . 3 HIS HB3 H 3.16 0.02 2 6 . 3 HIS CD2 C 119.7 0.30 1 7 . 3 HIS HD2 H 7.14 0.02 1 8 . 3 HIS C C 174.5 0.30 1 9 . 4 LYS N N 123.8 0.20 1 10 . 4 LYS H H 8.32 0.02 1 11 . 4 LYS CA C 55.8 0.30 1 12 . 4 LYS HA H 4.33 0.02 1 13 . 4 LYS CB C 33.1 0.30 1 14 . 4 LYS HB2 H 1.80 0.02 1 15 . 4 LYS HB3 H 1.80 0.02 1 16 . 4 LYS CG C 24.5 0.30 1 17 . 4 LYS HG2 H 1.44 0.02 1 18 . 4 LYS HG3 H 1.44 0.02 1 19 . 4 LYS CD C 28.9 0.30 1 20 . 4 LYS HD2 H 1.73 0.02 1 21 . 4 LYS HD3 H 1.73 0.02 1 22 . 4 LYS CE C 42.2 0.30 1 23 . 4 LYS HE2 H 3.04 0.02 1 24 . 4 LYS HE3 H 3.04 0.02 1 25 . 4 LYS C C 176.3 0.30 1 26 . 5 LYS N N 124.1 0.20 1 27 . 5 LYS H H 8.38 0.02 1 28 . 5 LYS CA C 56.5 0.30 1 29 . 5 LYS HA H 4.49 0.02 1 30 . 5 LYS CB C 34.5 0.30 1 31 . 5 LYS HB2 H 1.89 0.02 2 32 . 5 LYS HB3 H 1.67 0.02 2 33 . 5 LYS CG C 25.7 0.30 1 34 . 5 LYS HG2 H 1.49 0.02 1 35 . 5 LYS HG3 H 1.49 0.02 1 36 . 5 LYS CD C 29.9 0.30 1 37 . 5 LYS HD2 H 1.64 0.02 1 38 . 5 LYS HD3 H 1.64 0.02 1 39 . 5 LYS CE C 42.0 0.30 1 40 . 5 LYS HE2 H 2.98 0.02 1 41 . 5 LYS HE3 H 2.98 0.02 1 42 . 5 LYS C C 177.3 0.30 1 43 . 6 THR N N 114.2 0.20 1 44 . 6 THR H H 8.65 0.02 1 45 . 6 THR CA C 61.2 0.30 1 46 . 6 THR HA H 4.47 0.02 1 47 . 6 THR CB C 70.9 0.30 1 48 . 6 THR HB H 4.65 0.02 1 49 . 6 THR HG2 H 1.38 0.02 1 50 . 6 THR CG2 C 22.1 0.30 1 51 . 6 THR C C 175.2 0.30 1 52 . 7 ASP N N 121.3 0.20 1 53 . 7 ASP H H 8.75 0.02 1 54 . 7 ASP CA C 57.4 0.30 1 55 . 7 ASP HA H 4.31 0.02 1 56 . 7 ASP CB C 39.7 0.30 1 57 . 7 ASP HB2 H 2.71 0.02 2 58 . 7 ASP HB3 H 2.58 0.02 2 59 . 7 ASP C C 178.7 0.30 1 60 . 8 SER N N 114.0 0.20 1 61 . 8 SER H H 8.30 0.02 1 62 . 8 SER CA C 61.5 0.30 1 63 . 8 SER HA H 4.41 0.02 1 64 . 8 SER CB C 64.0 0.30 1 65 . 8 SER HB2 H 3.86 0.02 1 66 . 8 SER HB3 H 3.86 0.02 1 67 . 8 SER C C 176.5 0.30 1 68 . 9 GLU N N 122.7 0.20 1 69 . 9 GLU H H 7.58 0.02 1 70 . 9 GLU CA C 59.6 0.30 1 71 . 9 GLU HA H 4.06 0.02 1 72 . 9 GLU CB C 30.1 0.30 1 73 . 9 GLU HB2 H 2.08 0.02 1 74 . 9 GLU HB3 H 2.08 0.02 1 75 . 9 GLU CG C 37.5 0.30 1 76 . 9 GLU HG2 H 2.47 0.02 2 77 . 9 GLU HG3 H 2.34 0.02 2 78 . 9 GLU C C 179.7 0.30 1 79 . 10 VAL N N 121.0 0.20 1 80 . 10 VAL H H 8.21 0.02 1 81 . 10 VAL CA C 66.8 0.30 1 82 . 10 VAL HA H 3.82 0.02 1 83 . 10 VAL CB C 31.8 0.30 1 84 . 10 VAL HB H 2.28 0.02 1 85 . 10 VAL HG1 H 1.12 0.02 1 86 . 10 VAL HG2 H 1.12 0.02 1 87 . 10 VAL CG1 C 23.1 0.30 1 88 . 10 VAL CG2 C 22.1 0.30 1 89 . 10 VAL C C 178.9 0.30 1 90 . 11 GLN N N 117.7 0.20 1 91 . 11 GLN H H 8.58 0.02 1 92 . 11 GLN CA C 60.2 0.30 1 93 . 11 GLN HA H 3.93 0.02 1 94 . 11 GLN CB C 28.8 0.30 1 95 . 11 GLN HB2 H 1.46 0.02 1 96 . 11 GLN HB3 H 1.46 0.02 1 97 . 11 GLN CG C 35.5 0.30 1 98 . 11 GLN HG2 H 2.54 0.02 1 99 . 11 GLN HG3 H 2.54 0.02 1 100 . 11 GLN CD C 176.9 0.30 1 101 . 11 GLN NE2 N 108.0 0.20 1 102 . 11 GLN HE21 H 6.69 0.02 2 103 . 11 GLN HE22 H 5.97 0.02 2 104 . 11 GLN C C 178.4 0.30 1 105 . 12 LEU N N 119.2 0.20 1 106 . 12 LEU H H 8.46 0.02 1 107 . 12 LEU CA C 58.4 0.30 1 108 . 12 LEU HA H 4.12 0.02 1 109 . 12 LEU CB C 41.7 0.30 1 110 . 12 LEU HB2 H 1.90 0.02 2 111 . 12 LEU HB3 H 1.82 0.02 2 112 . 12 LEU CG C 27.1 0.30 1 113 . 12 LEU HG H 1.78 0.02 1 114 . 12 LEU HD1 H 1.04 0.02 2 115 . 12 LEU HD2 H 1.01 0.02 2 116 . 12 LEU CD1 C 25.1 0.30 1 117 . 12 LEU CD2 C 23.6 0.30 1 118 . 12 LEU C C 179.9 0.30 1 119 . 13 GLU N N 122.2 0.20 1 120 . 13 GLU H H 8.36 0.02 1 121 . 13 GLU CA C 60.0 0.30 1 122 . 13 GLU HA H 4.13 0.02 1 123 . 13 GLU CB C 29.7 0.30 1 124 . 13 GLU HB2 H 2.37 0.02 1 125 . 13 GLU HB3 H 2.37 0.02 1 126 . 13 GLU CG C 36.4 0.30 1 127 . 13 GLU HG2 H 2.58 0.02 1 128 . 13 GLU HG3 H 2.58 0.02 1 129 . 13 GLU C C 180.2 0.30 1 130 . 14 MET N N 118.3 0.20 1 131 . 14 MET H H 8.67 0.02 1 132 . 14 MET CA C 57.5 0.30 1 133 . 14 MET HA H 4.66 0.02 1 134 . 14 MET CB C 33.8 0.30 1 135 . 14 MET HB2 H 3.11 0.02 1 136 . 14 MET HB3 H 3.11 0.02 1 137 . 14 MET CG C 34.0 0.30 1 138 . 14 MET HG2 H 3.23 0.02 1 139 . 14 MET HG3 H 3.23 0.02 1 140 . 14 MET HE H 2.26 0.02 1 141 . 14 MET CE C 19.9 0.30 1 142 . 14 MET C C 178.9 0.30 1 143 . 15 ILE N N 120.5 0.20 1 144 . 15 ILE H H 9.03 0.02 1 145 . 15 ILE CA C 64.5 0.30 1 146 . 15 ILE HA H 3.97 0.02 1 147 . 15 ILE CB C 37.1 0.30 1 148 . 15 ILE HB H 2.23 0.02 1 149 . 15 ILE HG2 H 1.04 0.02 1 150 . 15 ILE CG2 C 18.4 0.30 1 151 . 15 ILE CG1 C 29.2 0.30 1 152 . 15 ILE HG12 H 1.54 0.02 1 153 . 15 ILE HG13 H 1.54 0.02 1 154 . 15 ILE HD1 H 0.89 0.02 1 155 . 15 ILE CD1 C 13.8 0.30 1 156 . 15 ILE C C 177.8 0.30 1 157 . 16 THR N N 117.8 0.20 1 158 . 16 THR H H 8.54 0.02 1 159 . 16 THR CA C 67.4 0.30 1 160 . 16 THR HA H 3.94 0.02 1 161 . 16 THR CB C 68.7 0.30 1 162 . 16 THR HB H 4.45 0.02 1 163 . 16 THR HG2 H 1.33 0.02 1 164 . 16 THR CG2 C 21.3 0.30 1 165 . 16 THR C C 176.4 0.30 1 166 . 17 ALA N N 124.0 0.20 1 167 . 17 ALA H H 7.89 0.02 1 168 . 17 ALA CA C 55.4 0.30 1 169 . 17 ALA HA H 4.17 0.02 1 170 . 17 ALA HB H 1.56 0.02 1 171 . 17 ALA CB C 18.4 0.30 1 172 . 17 ALA C C 179.1 0.30 1 173 . 18 TRP N N 123.6 0.20 1 174 . 18 TRP H H 8.71 0.02 1 175 . 18 TRP CA C 58.8 0.30 1 176 . 18 TRP HA H 4.65 0.02 1 177 . 18 TRP CB C 29.8 0.30 1 178 . 18 TRP HB2 H 3.44 0.02 1 179 . 18 TRP HB3 H 3.44 0.02 1 180 . 18 TRP CD1 C 123.6 0.30 1 181 . 18 TRP CE3 C 119.4 0.30 1 182 . 18 TRP NE1 N 129.7 0.20 1 183 . 18 TRP HD1 H 7.47 0.02 1 184 . 18 TRP HE3 H 6.99 0.02 1 185 . 18 TRP CZ3 C 120.9 0.30 1 186 . 18 TRP CZ2 C 113.7 0.30 1 187 . 18 TRP HE1 H 10.12 0.02 1 188 . 18 TRP HZ3 H 6.34 0.02 1 189 . 18 TRP CH2 C 122.6 0.30 1 190 . 18 TRP HZ2 H 7.17 0.02 1 191 . 18 TRP HH2 H 6.80 0.02 1 192 . 18 TRP C C 180.0 0.30 1 193 . 19 LYS N N 118.6 0.20 1 194 . 19 LYS H H 9.01 0.02 1 195 . 19 LYS CA C 60.8 0.30 1 196 . 19 LYS HA H 3.99 0.02 1 197 . 19 LYS CB C 32.5 0.30 1 198 . 19 LYS HB2 H 2.01 0.02 1 199 . 19 LYS HB3 H 2.01 0.02 1 200 . 19 LYS CG C 25.9 0.30 1 201 . 19 LYS HG2 H 1.83 0.02 2 202 . 19 LYS HG3 H 1.50 0.02 2 203 . 19 LYS CD C 29.8 0.30 1 204 . 19 LYS HD2 H 1.67 0.02 1 205 . 19 LYS HD3 H 1.67 0.02 1 206 . 19 LYS CE C 41.6 0.30 1 207 . 19 LYS HE2 H 2.95 0.02 1 208 . 19 LYS HE3 H 2.95 0.02 1 209 . 19 LYS C C 179.6 0.30 1 210 . 20 LYS N N 119.6 0.20 1 211 . 20 LYS H H 8.07 0.02 1 212 . 20 LYS CA C 59.4 0.30 1 213 . 20 LYS HA H 4.16 0.02 1 214 . 20 LYS CB C 32.1 0.30 1 215 . 20 LYS HB2 H 2.00 0.02 1 216 . 20 LYS HB3 H 2.00 0.02 1 217 . 20 LYS CG C 25.2 0.30 1 218 . 20 LYS HG2 H 1.54 0.02 1 219 . 20 LYS HG3 H 1.54 0.02 1 220 . 20 LYS CD C 29.1 0.30 1 221 . 20 LYS HD2 H 1.78 0.02 2 222 . 20 LYS HD3 H 1.67 0.02 2 223 . 20 LYS CE C 42.2 0.30 1 224 . 20 LYS HE2 H 3.04 0.02 2 225 . 20 LYS HE3 H 3.00 0.02 2 226 . 20 LYS C C 178.4 0.30 1 227 . 21 PHE N N 120.5 0.20 1 228 . 21 PHE H H 8.32 0.02 1 229 . 21 PHE CA C 61.3 0.30 1 230 . 21 PHE HA H 4.35 0.02 1 231 . 21 PHE CB C 39.2 0.30 1 232 . 21 PHE HB2 H 3.61 0.02 2 233 . 21 PHE HB3 H 3.29 0.02 2 234 . 21 PHE HD1 H 7.12 0.02 1 235 . 21 PHE HD2 H 7.12 0.02 1 236 . 21 PHE HE1 H 7.24 0.02 1 237 . 21 PHE HE2 H 7.24 0.02 1 238 . 21 PHE CD1 C 132.0 0.30 1 239 . 21 PHE HZ H 7.35 0.02 1 240 . 21 PHE C C 177.8 0.30 1 241 . 22 VAL N N 117.7 0.20 1 242 . 22 VAL H H 8.07 0.02 1 243 . 22 VAL CA C 66.8 0.30 1 244 . 22 VAL HA H 3.37 0.02 1 245 . 22 VAL CB C 31.8 0.30 1 246 . 22 VAL HB H 2.44 0.02 1 247 . 22 VAL HG1 H 1.43 0.02 2 248 . 22 VAL HG2 H 1.01 0.02 2 249 . 22 VAL CG1 C 24.4 0.30 1 250 . 22 VAL CG2 C 21.8 0.30 1 251 . 22 VAL C C 177.5 0.30 1 252 . 23 GLU N N 119.2 0.20 1 253 . 23 GLU H H 8.14 0.02 1 254 . 23 GLU CA C 59.4 0.30 1 255 . 23 GLU HA H 3.92 0.02 1 256 . 23 GLU CB C 29.7 0.30 1 257 . 23 GLU HB2 H 2.22 0.02 1 258 . 23 GLU HB3 H 2.22 0.02 1 259 . 23 GLU CG C 36.2 0.30 1 260 . 23 GLU HG2 H 2.44 0.02 2 261 . 23 GLU HG3 H 2.31 0.02 2 262 . 23 GLU C C 179.5 0.30 1 263 . 24 GLU N N 117.6 0.20 1 264 . 24 GLU H H 8.28 0.02 1 265 . 24 GLU CA C 58.6 0.30 1 266 . 24 GLU HA H 4.03 0.02 1 267 . 24 GLU CB C 29.5 0.30 1 268 . 24 GLU HB2 H 2.10 0.02 2 269 . 24 GLU HB3 H 2.05 0.02 2 270 . 24 GLU CG C 36.6 0.30 1 271 . 24 GLU HG2 H 2.43 0.02 2 272 . 24 GLU HG3 H 2.31 0.02 2 273 . 24 GLU C C 178.6 0.30 1 274 . 25 LYS N N 119.0 0.20 1 275 . 25 LYS H H 7.70 0.02 1 276 . 25 LYS CA C 57.7 0.30 1 277 . 25 LYS HA H 3.97 0.02 1 278 . 25 LYS CB C 32.0 0.30 1 279 . 25 LYS HB2 H 1.68 0.02 1 280 . 25 LYS HB3 H 1.68 0.02 1 281 . 25 LYS CG C 24.4 0.30 1 282 . 25 LYS HG2 H 1.24 0.02 1 283 . 25 LYS HG3 H 1.24 0.02 1 284 . 25 LYS CD C 28.8 0.30 1 285 . 25 LYS HD2 H 1.46 0.02 1 286 . 25 LYS HD3 H 1.46 0.02 1 287 . 25 LYS CE C 42.1 0.30 1 288 . 25 LYS HE2 H 2.95 0.02 2 289 . 25 LYS HE3 H 2.87 0.02 2 290 . 25 LYS C C 178.3 0.30 1 291 . 26 LYS N N 117.4 0.20 1 292 . 26 LYS H H 7.60 0.02 1 293 . 26 LYS CA C 57.0 0.30 1 294 . 26 LYS HA H 4.17 0.02 1 295 . 26 LYS CB C 32.8 0.30 1 296 . 26 LYS HB2 H 1.92 0.02 2 297 . 26 LYS HB3 H 1.83 0.02 2 298 . 26 LYS CG C 24.9 0.30 1 299 . 26 LYS HG2 H 1.48 0.02 1 300 . 26 LYS HG3 H 1.48 0.02 1 301 . 26 LYS CD C 29.3 0.30 1 302 . 26 LYS HD2 H 1.63 0.02 1 303 . 26 LYS HD3 H 1.63 0.02 1 304 . 26 LYS CE C 41.9 0.30 1 305 . 26 LYS HE2 H 2.94 0.02 1 306 . 26 LYS HE3 H 2.94 0.02 1 307 . 26 LYS C C 176.9 0.30 1 308 . 27 LYS N N 120.4 0.20 1 309 . 27 LYS H H 7.55 0.02 1 310 . 27 LYS CA C 56.8 0.30 1 311 . 27 LYS HA H 4.27 0.02 1 312 . 27 LYS CB C 32.6 0.30 1 313 . 27 LYS HB2 H 1.90 0.02 2 314 . 27 LYS HB3 H 1.84 0.02 2 315 . 27 LYS CG C 24.9 0.30 1 316 . 27 LYS HG2 H 1.56 0.02 2 317 . 27 LYS HG3 H 1.46 0.02 2 318 . 27 LYS CD C 29.2 0.30 1 319 . 27 LYS HD2 H 1.71 0.02 1 320 . 27 LYS HD3 H 1.71 0.02 1 321 . 27 LYS CE C 42.2 0.30 1 322 . 27 LYS HE2 H 3.02 0.02 1 323 . 27 LYS HE3 H 3.02 0.02 1 324 . 28 LYS N N 127.3 0.20 1 325 . 28 LYS H H 7.67 0.02 1 326 . 28 LYS CA C 57.8 0.30 1 327 . 28 LYS HA H 4.16 0.02 1 328 . 28 LYS CB C 33.7 0.30 1 329 . 28 LYS HB2 H 1.85 0.02 2 330 . 28 LYS HB3 H 1.71 0.02 2 331 . 28 LYS CG C 25.2 0.30 1 332 . 28 LYS HG2 H 1.46 0.02 1 333 . 28 LYS HG3 H 1.46 0.02 1 334 . 28 LYS CD C 29.2 0.30 1 335 . 28 LYS HD2 H 1.71 0.02 1 336 . 28 LYS HD3 H 1.71 0.02 1 337 . 28 LYS CE C 42.4 0.30 1 338 . 28 LYS HE2 H 3.04 0.02 1 339 . 28 LYS HE3 H 3.04 0.02 1 stop_ save_