data_4153 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; High-Resolution Solution Structure of the Retinoid X Receptor DNA-Binding Domain ; _BMRB_accession_number 4153 _BMRB_flat_file_name bmr4153.str _Entry_type original _Submission_date 1998-06-24 _Accession_date 1998-06-24 _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 Holmbeck Signe M.A. . 2 Foster M. P. . 3 Casimiro D. R. . 4 Sem D. . . 5 Dyson H. J. . 6 Wright Peter E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 469 "13C chemical shifts" 254 "15N chemical shifts" 84 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-06-30 original BMRB . stop_ _Original_release_date 1998-06-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; High-Resolution Solution Structure of the Retinoid X Receptor DNA-Binding Domain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 98365498 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Holmbeck Signe M.A. . 2 Foster M. P. . 3 Casimiro D. R. . 4 Sem D. S. . 5 Dyson H. J. . 6 Wright Peter E. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of Molecular Biology' _Journal_volume 281 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 271 _Page_last 284 _Year 1998 _Details . loop_ _Keyword 'nuclear horomone receptor' 'transcription factor' zinc-finger stop_ save_ ################################## # Molecular system description # ################################## save_system_RXR-DBD _Saveframe_category molecular_system _Mol_system_name 'Retinoid-X-Receptor -alpha DNA Binding domain' _Abbreviation_common RXR-DBD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RXR-DBD $RXR-DBD 'Zn 1' $ZN 'Zn 2' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all other bound' loop_ _Biological_function 'transcription factor' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RXR-DBD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RXR-alpha _Name_variant 'C 195 A' _Abbreviation_common RXR _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 83 _Mol_residue_sequence ; FTKHICAICGDRSSGKHYGV YSCEGCKGFFKRTVRKDLTY TCRDNKDCLIDKRQRNRCQY CRYQKALAMGMKREAVQEER QRX ; loop_ _Residue_seq_code _Residue_label 1 PHE 2 THR 3 LYS 4 HIS 5 ILE 6 CYS 7 ALA 8 ILE 9 CYS 10 GLY 11 ASP 12 ARG 13 SER 14 SER 15 GLY 16 LYS 17 HIS 18 TYR 19 GLY 20 VAL 21 TYR 22 SER 23 CYS 24 GLU 25 GLY 26 CYS 27 LYS 28 GLY 29 PHE 30 PHE 31 LYS 32 ARG 33 THR 34 VAL 35 ARG 36 LYS 37 ASP 38 LEU 39 THR 40 TYR 41 THR 42 CYS 43 ARG 44 ASP 45 ASN 46 LYS 47 ASP 48 CYS 49 LEU 50 ILE 51 ASP 52 LYS 53 ARG 54 GLN 55 ARG 56 ASN 57 ARG 58 CYS 59 GLN 60 TYR 61 CYS 62 ARG 63 TYR 64 GLN 65 LYS 66 ALA 67 LEU 68 ALA 69 MET 70 GLY 71 MET 72 LYS 73 ARG 74 GLU 75 ALA 76 VAL 77 GLN 78 GLU 79 GLU 80 ARG 81 GLN 82 ARG 83 NVA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_NVA _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common NORVALINE _BMRB_code . _PDB_code NVA _Standard_residue_derivative . _Molecular_mass 117.146 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 8 15:41:50 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? CD CD C . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HG2 HG2 H . 0 . ? HG3 HG3 H . 0 . ? HD1 HD1 H . 0 . ? HD2 HD2 H . 0 . ? HD3 HD3 H . 0 . ? HXT HXT H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N H2 ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING CG CD ? ? SING CG HG2 ? ? SING CG HG3 ? ? SING CD HD1 ? ? SING CD HD2 ? ? SING CD HD3 ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _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 Wed Jun 8 15:46:38 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 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 _Organelle _Plasmid _Gene_mnemonic _Details $RXR-DBD human 9606 Eukaryota Metazoa Homo sapiens 'c-Myc and Max are nuclear proteins' pKM536 camB 'from P. putida camphor hydroxylase system' 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 $RXR-DBD 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RXR-DBD 1.7 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 500 _Details . save_ save_NMR_spectrometer_two _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_one save_ save_HBHA(CBCACO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCACO)NH _Sample_label $sample_one save_ save_CBCANH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label $sample_one save_ save_C(CO)NH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH-TOCSY _Sample_label $sample_one save_ save_HCCH-COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label $sample_one save_ save_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_one save_ save_13C-EDITED_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-EDITED NOESY' _Sample_label $sample_one save_ save_15N-EDITED_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-EDITED NOESY' _Sample_label $sample_one save_ save_15N-EDITED_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-EDITED TOCSY' _Sample_label $sample_one save_ save_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $sample_one save_ save_HNHB_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _Sample_label $sample_one save_ save_HACAHB-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name HACAHB-COSY _Sample_label $sample_one save_ save_13C-13CO_13 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-13CO _Sample_label $sample_one save_ save_13C-15N_SPIN_ECHO_DIFFERENCE_CT-HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-15N SPIN ECHO DIFFERENCE CT-HSQC' _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.12 . M pH 6.6 0.2 n/a temperature 300 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 . direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label CBCA(CO)NH stop_ loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name RXR-DBD _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 PHE CA C 55.82 . 1 2 . 1 PHE HA H 4.75 . 1 3 . 1 PHE CB C 37.62 . 1 4 . 1 PHE HB2 H 3.06 . 2 5 . 1 PHE HB3 H 3.14 . 2 6 . 2 THR CA C 59.64 . 1 7 . 2 THR N N 116.17 . 1 8 . 2 THR CB C 67.66 . 1 9 . 2 THR CG2 C 19.48 . 1 10 . 2 THR HA H 4.23 . 1 11 . 2 THR H H 8.32 . 1 12 . 2 THR HB H 4.05 . 1 13 . 2 THR HG2 H 1.03 . 1 14 . 3 LYS CA C 54.37 . 1 15 . 3 LYS N N 122.91 . 1 16 . 3 LYS CB C 30.35 . 1 17 . 3 LYS CG C 22.77 . 1 18 . 3 LYS CD C 27.31 . 1 19 . 3 LYS CE C 39.72 . 1 20 . 3 LYS HA H 3.88 . 1 21 . 3 LYS H H 8.03 . 1 22 . 3 LYS HB2 H 1.38 . 2 23 . 3 LYS HB3 H 1.49 . 2 24 . 3 LYS HG2 H 1.10 . 1 25 . 3 LYS HG3 H 1.10 . 1 26 . 3 LYS HD2 H 1.55 . 1 27 . 3 LYS HD3 H 1.55 . 1 28 . 3 LYS HE2 H 2.89 . 1 29 . 3 LYS HE3 H 2.89 . 1 30 . 4 HIS CA C 53.95 . 1 31 . 4 HIS N N 118.37 . 1 32 . 4 HIS CB C 29.26 . 1 33 . 4 HIS CD2 C 117.94 . 1 34 . 4 HIS HA H 4.48 . 1 35 . 4 HIS H H 8.11 . 1 36 . 4 HIS HB2 H 2.60 . 1 37 . 4 HIS HB3 H 2.60 . 1 38 . 4 HIS HD1 H 6.74 . 3 39 . 5 ILE CA C 57.42 . 1 40 . 5 ILE N N 119.55 . 1 41 . 5 ILE CB C 38.64 . 1 42 . 5 ILE CG2 C 15.91 . 1 43 . 5 ILE CG1 C 23.96 . 1 44 . 5 ILE CD1 C 10.97 . 1 45 . 5 ILE HA H 4.50 . 1 46 . 5 ILE H H 8.04 . 1 47 . 5 ILE HB H 1.68 . 1 48 . 5 ILE HG2 H 0.78 . 1 49 . 5 ILE HG12 H 1.01 . 2 50 . 5 ILE HG13 H 1.17 . 2 51 . 5 ILE HD1 H 0.78 . 1 52 . 6 CYS CA C 57.45 . 1 53 . 6 CYS N N 124.13 . 1 54 . 6 CYS CB C 28.78 . 1 55 . 6 CYS HA H 4.06 . 1 56 . 6 CYS H H 9.53 . 1 57 . 6 CYS HB2 H 3.24 . 2 58 . 6 CYS HB3 H 2.56 . 2 59 . 7 ALA N N 110.46 . 1 60 . 7 ALA CA C 52.31 . 1 61 . 7 ALA CB C 17.44 . 1 62 . 7 ALA H H 9.02 . 1 63 . 7 ALA HA H 4.16 . 1 64 . 7 ALA HB H 1.58 . 1 65 . 8 ILE N N 117.41 . 1 66 . 8 ILE CA C 62.19 . 1 67 . 8 ILE CB C 35.86 . 1 68 . 8 ILE CG1 C 28.92 . 1 69 . 8 ILE CG2 C 18.98 . 1 70 . 8 ILE CD1 C 14.12 . 1 71 . 8 ILE H H 8.84 . 1 72 . 8 ILE HA H 3.86 . 1 73 . 8 ILE HB H 2.66 . 1 74 . 8 ILE HG2 H 0.87 . 1 75 . 8 ILE HG12 H 1.01 . 1 76 . 8 ILE HG13 H 1.36 . 1 77 . 8 ILE HD1 H 1.02 . 1 78 . 9 CYS N N 117.43 . 1 79 . 9 CYS CA C 56.79 . 1 80 . 9 CYS CB C 32.27 . 1 81 . 9 CYS H H 8.46 . 1 82 . 9 CYS HA H 4.93 . 1 83 . 9 CYS HB2 H 2.90 . 1 84 . 9 CYS HB3 H 2.15 . 1 85 . 10 GLY N N 110.46 . 1 86 . 10 GLY CA C 44.21 . 1 87 . 10 GLY H H 7.90 . 1 88 . 10 GLY HA2 H 4.33 . 2 89 . 10 GLY HA3 H 3.83 . 2 90 . 11 ASP N N 121.81 . 1 91 . 11 ASP CA C 51.38 . 1 92 . 11 ASP CB C 40.10 . 1 93 . 11 ASP H H 8.82 . 1 94 . 11 ASP HA H 4.75 . 1 95 . 11 ASP HB3 H 3.05 . 2 96 . 11 ASP HB2 H 2.64 . 2 97 . 12 ARG N N 120.65 . 1 98 . 12 ARG CA C 55.60 . 1 99 . 12 ARG CB C 28.57 . 1 100 . 12 ARG CG C 25.4 . 1 101 . 12 ARG CD C 41.15 . 1 102 . 12 ARG H H 8.86 . 1 103 . 12 ARG HA H 4.17 . 1 104 . 12 ARG HB2 H 1.81 . 1 105 . 12 ARG HB3 H 1.81 . 1 106 . 12 ARG HG2 H 1.76 . 1 107 . 12 ARG HG3 H 1.76 . 1 108 . 12 ARG HD2 H 3.25 . 1 109 . 12 ARG HD3 H 3.25 . 1 110 . 13 SER N N 116.95 . 1 111 . 13 SER CA C 55.35 . 1 112 . 13 SER CB C 62.14 . 1 113 . 13 SER H H 7.93 . 1 114 . 13 SER HA H 4.22 . 1 115 . 13 SER HB2 H 3.65 . 2 116 . 13 SER HB3 H 3.33 . 2 117 . 14 SER N N 118.93 . 1 118 . 14 SER CA C 55.34 . 1 119 . 14 SER CB C 62.27 . 1 120 . 14 SER H H 9.13 . 1 121 . 14 SER HA H 4.93 . 1 122 . 14 SER HB2 H 4.34 . 1 123 . 14 SER HB3 H 3.97 . 1 124 . 15 GLY N N 110.87 . 1 125 . 15 GLY CA C 42.14 . 1 126 . 15 GLY H H 8.13 . 1 127 . 15 GLY HA3 H 3.99 . 1 128 . 15 GLY HA2 H 3.70 . 1 129 . 16 LYS N N 119.84 . 1 130 . 16 LYS CA C 53.40 . 1 131 . 16 LYS CB C 30.13 . 1 132 . 16 LYS CG C 23.35 . 1 133 . 16 LYS CD C 27.39 . 1 134 . 16 LYS CE C 39.31 . 1 135 . 16 LYS H H 7.97 . 1 136 . 16 LYS HA H 3.75 . 1 137 . 16 LYS HB3 H 1.19 . 2 138 . 16 LYS HB2 H 0.77 . 2 139 . 16 LYS HG3 H 0.32 . 2 140 . 16 LYS HG2 H 0.13 . 2 141 . 16 LYS HD2 H 1.12 . 2 142 . 16 LYS HD3 H 1.18 . 2 143 . 16 LYS HE2 H 2.40 . 1 144 . 16 LYS HE3 H 2.40 . 1 145 . 17 HIS N N 123.73 . 1 146 . 17 HIS CA C 52.49 . 1 147 . 17 HIS CB C 29.72 . 1 148 . 17 HIS CD2 C 119.35 . 1 149 . 17 HIS H H 8.43 . 1 150 . 17 HIS HA H 4.48 . 1 151 . 17 HIS HB3 H 2.65 . 2 152 . 17 HIS HB2 H 1.95 . 2 153 . 17 HIS HD1 H 7.01 . 3 154 . 18 TYR N N 120.10 . 1 155 . 18 TYR CA C 54.38 . 1 156 . 18 TYR CB C 32.90 . 1 157 . 18 TYR CD1 C 131.27 . 3 158 . 18 TYR CE1 C 116.37 . 1 159 . 18 TYR H H 9.01 . 1 160 . 18 TYR HA H 4.18 . 1 161 . 18 TYR HB3 H 3.37 . 2 162 . 18 TYR HB2 H 3.12 . 2 163 . 18 TYR HD1 H 7.02 . 3 164 . 18 TYR HE1 H 7.03 . 3 165 . 19 GLY N N 129.71 . 1 166 . 19 GLY CA C 42.44 . 1 167 . 19 GLY H H 8.21 . 1 168 . 19 GLY HA3 H 4.52 . 2 169 . 19 GLY HA2 H 3.36 . 2 170 . 20 VAL N N 117.06 . 1 171 . 20 VAL CA C 58.02 . 1 172 . 20 VAL CB C 34.63 . 1 173 . 20 VAL CG2 C 19.84 . 2 174 . 20 VAL CG1 C 19.97 . 2 175 . 20 VAL H H 7.39 . 1 176 . 20 VAL HA H 4.34 . 1 177 . 20 VAL HB H 1.82 . 1 178 . 20 VAL HG2 H 0.79 . 2 179 . 20 VAL HG1 H 0.64 . 2 180 . 21 TYR N N 127.17 . 1 181 . 21 TYR CA C 59.31 . 1 182 . 21 TYR CB C 35.18 . 1 183 . 21 TYR CD1 C 130.96 . 1 184 . 21 TYR CE1 C 116.06 . 1 185 . 21 TYR H H 8.79 . 1 186 . 21 TYR HA H 4.56 . 1 187 . 21 TYR HB2 H 2.85 . 1 188 . 21 TYR HB3 H 2.85 . 1 189 . 21 TYR HD1 H 6.95 . 1 190 . 21 TYR HE1 H 6.51 . 1 191 . 22 SER N N 116.62 . 1 192 . 22 SER CA C 54.19 . 1 193 . 22 SER CB C 65.07 . 1 194 . 22 SER H H 8.48 . 1 195 . 22 SER HA H 6.37 . 1 196 . 22 SER HB3 H 3.97 . 2 197 . 22 SER HB2 H 3.75 . 2 198 . 23 CYS N N 120.56 . 1 199 . 23 CYS CA C 55.92 . 1 200 . 23 CYS CB C 30.32 . 1 201 . 23 CYS H H 9.35 . 1 202 . 23 CYS HA H 5.24 . 1 203 . 23 CYS HB3 H 3.60 . 2 204 . 23 CYS HB2 H 2.93 . 2 205 . 24 GLU N N 120.20 . 1 206 . 24 GLU CA C 57.19 . 1 207 . 24 GLU CB C 28.16 . 1 208 . 24 GLU CG C 34.23 . 1 209 . 24 GLU H H 9.10 . 1 210 . 24 GLU HA H 3.82 . 1 211 . 24 GLU HB2 H 2.06 . 1 212 . 24 GLU HB3 H 2.06 . 1 213 . 24 GLU HG3 H 2.41 . 2 214 . 24 GLU HG2 H 2.34 . 2 215 . 25 GLY N N 111.71 . 1 216 . 25 GLY CA C 45.38 . 1 217 . 25 GLY H H 8.71 . 1 218 . 25 GLY HA2 H 3.97 . 1 219 . 25 GLY HA3 H 3.97 . 1 220 . 26 CYS N N 129.03 . 1 221 . 26 CYS CA C 63.24 . 1 222 . 26 CYS CB C 27.67 . 1 223 . 26 CYS H H 9.84 . 1 224 . 26 CYS HA H 4.13 . 1 225 . 26 CYS HB3 H 3.08 . 1 226 . 26 CYS HB2 H 3.00 . 1 227 . 27 LYS N N 120.83 . 1 228 . 27 LYS CA C 58.73 . 1 229 . 27 LYS CB C 29.80 . 1 230 . 27 LYS CG C 23.08 . 1 231 . 27 LYS CD C 27.13 . 1 232 . 27 LYS CE C 39.59 . 1 233 . 27 LYS H H 8.04 . 1 234 . 27 LYS HA H 3.95 . 1 235 . 27 LYS HB3 H 1.64 . 1 236 . 27 LYS HB2 H 1.56 . 1 237 . 27 LYS HG2 H 1.10 . 1 238 . 27 LYS HG3 H 1.10 . 1 239 . 27 LYS HD3 H 0.95 . 1 240 . 27 LYS HD2 H 0.43 . 1 241 . 27 LYS HE3 H 2.67 . 1 242 . 27 LYS HE2 H 2.57 . 1 243 . 28 GLY N N 129.41 . 1 244 . 28 GLY CA C 45.18 . 1 245 . 28 GLY H H 8.40 . 1 246 . 28 GLY HA3 H 4.06 . 1 247 . 28 GLY HA2 H 3.87 . 1 248 . 29 PHE N N 122.89 . 1 249 . 29 PHE CA C 58.76 . 1 250 . 29 PHE CB C 37.31 . 1 251 . 29 PHE CD1 C 128.29 . 3 252 . 29 PHE CE1 C 129.08 . 3 253 . 29 PHE CZ C 129.08 . 1 254 . 29 PHE H H 8.43 . 1 255 . 29 PHE HA H 4.38 . 1 256 . 29 PHE HB3 H 3.37 . 1 257 . 29 PHE HB2 H 3.17 . 1 258 . 29 PHE HD1 H 7.32 . 3 259 . 29 PHE HE1 H 7.07 . 3 260 . 29 PHE HZ H 7.66 . 1 261 . 30 PHE N N 126.80 . 1 262 . 30 PHE CA C 61.31 . 1 263 . 30 PHE CB C 38.96 . 1 264 . 30 PHE CE1 C 127.20 . 3 265 . 30 PHE H H 8.84 . 1 266 . 30 PHE HA H 3.68 . 1 267 . 30 PHE HB3 H 3.31 . 1 268 . 30 PHE HB2 H 3.24 . 1 269 . 30 PHE HD1 H 6.88 . 3 270 . 30 PHE HE1 H 6.80 . 3 271 . 30 PHE HZ H 6.88 . 1 272 . 31 LYS N N 117.67 . 1 273 . 31 LYS CA C 58.31 . 1 274 . 31 LYS CB C 30.38 . 1 275 . 31 LYS CG C 23.12 . 1 276 . 31 LYS CD C 28.12 . 1 277 . 31 LYS CE C 39.70 . 1 278 . 31 LYS H H 8.60 . 1 279 . 31 LYS HA H 3.70 . 1 280 . 31 LYS HB3 H 2.43 . 2 281 . 31 LYS HB2 H 1.97 . 2 282 . 31 LYS HG3 H 1.39 . 2 283 . 31 LYS HG2 H 1.27 . 2 284 . 31 LYS HD3 H 1.84 . 2 285 . 31 LYS HD2 H 1.76 . 2 286 . 31 LYS HE2 H 2.96 . 1 287 . 31 LYS HE3 H 2.96 . 1 288 . 32 ARG N N 117.16 . 1 289 . 32 ARG CA C 57.49 . 1 290 . 32 ARG CB C 28.34 . 1 291 . 32 ARG CG C 26.1 . 1 292 . 32 ARG CD C 41.56 . 1 293 . 32 ARG H H 8.19 . 1 294 . 32 ARG HA H 3.98 . 1 295 . 32 ARG HB3 H 1.85 . 2 296 . 32 ARG HB2 H 1.71 . 2 297 . 32 ARG HG2 H 1.54 . 1 298 . 32 ARG HG3 H 1.54 . 1 299 . 32 ARG HD2 H 3.22 . 1 300 . 32 ARG HD3 H 3.22 . 1 301 . 33 THR N N 114.39 . 1 302 . 33 THR CA C 65.35 . 1 303 . 33 THR CB C 66.92 . 1 304 . 33 THR CG2 C 19.41 . 1 305 . 33 THR H H 7.55 . 1 306 . 33 THR HA H 3.32 . 1 307 . 33 THR HB H 3.80 . 1 308 . 33 THR HG2 H 0.38 . 1 309 . 34 VAL N N 118.56 . 1 310 . 34 VAL CA C 63.64 . 1 311 . 34 VAL CB C 29.97 . 1 312 . 34 VAL CG2 C 19.01 . 2 313 . 34 VAL CG1 C 20.89 . 2 314 . 34 VAL H H 7.60 . 1 315 . 34 VAL HA H 3.42 . 1 316 . 34 VAL HB H 1.67 . 1 317 . 34 VAL HG2 H 0.73 . 2 318 . 34 VAL HG1 H 0.34 . 2 319 . 35 ARG N N 118.74 . 1 320 . 35 ARG CA C 57.70 . 1 321 . 35 ARG CB C 28.22 . 1 322 . 35 ARG CG C 26.39 . 1 323 . 35 ARG CD C 40.99 . 1 324 . 35 ARG H H 8.78 . 1 325 . 35 ARG HA H 3.89 . 1 326 . 35 ARG HB3 H 1.85 . 2 327 . 35 ARG HB2 H 1.74 . 2 328 . 35 ARG HG3 H 1.73 . 2 329 . 35 ARG HG2 H 1.48 . 2 330 . 35 ARG HD3 H 3.13 . 2 331 . 35 ARG HD2 H 3.09 . 2 332 . 36 LYS N N 114.04 . 1 333 . 36 LYS CA C 53.40 . 1 334 . 36 LYS CB C 29.26 . 1 335 . 36 LYS CG C 23.5 . 1 336 . 36 LYS CD C 26.74 . 1 337 . 36 LYS CE C 39.95 . 1 338 . 36 LYS H H 7.82 . 1 339 . 36 LYS HA H 4.28 . 1 340 . 36 LYS HB3 H 1.88 . 2 341 . 36 LYS HB2 H 1.66 . 2 342 . 36 LYS HG2 H 1.33 . 1 343 . 36 LYS HG3 H 1.33 . 1 344 . 36 LYS HD2 H 1.59 . 1 345 . 36 LYS HD3 H 1.59 . 1 346 . 36 LYS HE2 H 2.96 . 1 347 . 36 LYS HE3 H 2.96 . 1 348 . 37 ASP N N 120.74 . 1 349 . 37 ASP CA C 52.78 . 1 350 . 37 ASP CB C 37.16 . 1 351 . 37 ASP H H 7.44 . 1 352 . 37 ASP HA H 4.23 . 1 353 . 37 ASP HB3 H 2.99 . 2 354 . 37 ASP HB2 H 2.20 . 2 355 . 38 LEU N N 117.28 . 1 356 . 38 LEU CA C 52.88 . 1 357 . 38 LEU CB C 40.43 . 1 358 . 38 LEU CG C 24.9 . 1 359 . 38 LEU CD2 C 23.84 . 2 360 . 38 LEU CD1 C 20.51 . 2 361 . 38 LEU H H 7.81 . 1 362 . 38 LEU HA H 4.09 . 1 363 . 38 LEU HB3 H 1.25 . 2 364 . 38 LEU HB2 H 0.88 . 2 365 . 38 LEU HG H 1.38 . . 366 . 38 LEU HD2 H 0.81 . 2 367 . 38 LEU HD1 H 0.71 . 2 368 . 39 THR N N 114.69 . 1 369 . 39 THR CA C 58.86 . 1 370 . 39 THR CB C 68.78 . 1 371 . 39 THR CG2 C 19.49 . 1 372 . 39 THR H H 7.86 . 1 373 . 39 THR HA H 3.93 . 1 374 . 39 THR HB H 3.91 . 1 375 . 39 THR HG2 H 1.08 . 1 376 . 40 TYR N N 124.42 . 1 377 . 40 TYR CA C 53.32 . 1 378 . 40 TYR CB C 40.08 . 1 379 . 40 TYR CD1 C 131.27 . 3 380 . 40 TYR CE1 C 116.06 . 3 381 . 40 TYR H H 8.65 . 1 382 . 40 TYR HA H 5.28 . 1 383 . 40 TYR HB3 H 3.55 . 2 384 . 40 TYR HB2 H 2.60 . 2 385 . 40 TYR HD1 H 7.00 . 3 386 . 40 TYR HE1 H 6.51 . 3 387 . 41 THR N N 113.44 . 1 388 . 41 THR CA C 59.16 . 1 389 . 41 THR CB C 69.63 . 1 390 . 41 THR CG2 C 19.49 . 1 391 . 41 THR H H 8.64 . 1 392 . 41 THR HA H 4.47 . 1 393 . 41 THR HB H 3.90 . 1 394 . 41 THR HG2 H 1.08 . 1 395 . 42 CYS N N 130.01 . 1 396 . 42 CYS CA C 57.73 . 1 397 . 42 CYS CB C 28.33 . 1 398 . 42 CYS H H 8.74 . 1 399 . 42 CYS HA H 4.49 . 1 400 . 42 CYS HB3 H 2.62 . 1 401 . 42 CYS HB2 H 2.37 . 1 402 . 43 ARG N N 130.56 . 1 403 . 43 ARG CA C 55.33 . 1 404 . 43 ARG CB C 28.77 . 1 405 . 43 ARG CG C 25.61 . 1 406 . 43 ARG CD C 41.15 . 1 407 . 43 ARG H H 9.23 . 1 408 . 43 ARG HA H 4.28 . 1 409 . 43 ARG HB3 H 2.00 . 2 410 . 43 ARG HB2 H 1.80 . 2 411 . 43 ARG HG2 H 1.76 . 1 412 . 43 ARG HG3 H 1.76 . 1 413 . 43 ARG HD2 H 3.25 . 1 414 . 43 ARG HD3 H 3.25 . 1 415 . 44 ASP N N 126.39 . 1 416 . 44 ASP CA C 51.92 . 1 417 . 44 ASP CB C 40.49 . 1 418 . 44 ASP H H 9.45 . 1 419 . 44 ASP HA H 4.91 . 1 420 . 44 ASP HB3 H 2.76 . 2 421 . 44 ASP HB2 H 2.41 . 2 422 . 45 ASN N N 123.12 . 1 423 . 45 ASN CA C 50.93 . 1 424 . 45 ASN CB C 37.76 . 1 425 . 45 ASN H H 8.79 . 1 426 . 45 ASN HA H 5.07 . 2 427 . 45 ASN HB3 H 2.88 . 2 428 . 45 ASN HB2 H 2.44 . 1 429 . 45 ASN ND2 N 113.36 . 1 430 . 45 ASN HD21 H 7.66 . 2 431 . 45 ASN HD22 H 6.79 . 2 432 . 46 LYS N N 119.38 . 1 433 . 46 LYS CA C 55.83 . 1 434 . 46 LYS CB C 27.33 . 1 435 . 46 LYS H H 9.43 . 1 436 . 46 LYS HA H 4.06 . 1 437 . 46 LYS HB3 H 2.18 . 2 438 . 46 LYS HB2 H 2.12 . 2 439 . 47 ASP N N 119.81 . 1 440 . 47 ASP CA C 50.96 . 1 441 . 47 ASP CB C 38.60 . 1 442 . 47 ASP H H 8.34 . 1 443 . 47 ASP HA H 4.91 . 1 444 . 47 ASP HB2 H 2.43 . 2 445 . 47 ASP HB3 H 2.64 . 2 446 . 48 CYS N N 124.66 . 1 447 . 48 CYS CA C 59.76 . 1 448 . 48 CYS CB C 28.37 . 1 449 . 48 CYS H H 9.41 . 1 450 . 48 CYS HA H 3.90 . 1 451 . 48 CYS HB3 H 2.95 . 2 452 . 48 CYS HB2 H 2.63 . 2 453 . 49 LEU N N 123.16 . 1 454 . 49 LEU CA C 53.31 . 1 455 . 49 LEU CB C 39.76 . 1 456 . 49 LEU CG C 25.48 . 1 457 . 49 LEU CD2 C 22.39 . 1 458 . 49 LEU CD1 C 22.39 . 1 459 . 49 LEU H H 8.31 . 1 460 . 49 LEU HA H 4.20 . 1 461 . 49 LEU HB2 H 1.53 . 2 462 . 49 LEU HB3 H 1.55 . 2 463 . 49 LEU HG H 1.49 . 1 464 . 49 LEU HD2 H 0.88 . 2 465 . 49 LEU HD1 H 0.83 . 2 466 . 50 ILE N N 125.15 . 1 467 . 50 ILE CA C 56.79 . 1 468 . 50 ILE CB C 33.89 . 1 469 . 50 ILE CG1 C 24.37 . 1 470 . 50 ILE CG2 C 16.15 . 1 471 . 50 ILE CD1 C 8.65 . 1 472 . 50 ILE H H 8.50 . 1 473 . 50 ILE HA H 4.17 . 1 474 . 50 ILE HB H 2.06 . 1 475 . 50 ILE HG2 H 0.66 . 1 476 . 50 ILE HG12 H 0.97 . 2 477 . 50 ILE HG13 H 1.56 . 2 478 . 50 ILE HD1 H 0.59 . 1 479 . 51 ASP N N 124.66 . 1 480 . 51 ASP CA C 50.82 . 1 481 . 51 ASP CB C 41.23 . 1 482 . 51 ASP H H 7.68 . 1 483 . 51 ASP HA H 4.88 . 1 484 . 51 ASP HB3 H 2.87 . 2 485 . 51 ASP HB2 H 2.53 . 2 486 . 52 LYS N N 119.35 . 1 487 . 52 LYS CA C 56.99 . 1 488 . 52 LYS CB C 30.23 . 1 489 . 52 LYS CG C 22.33 . 1 490 . 52 LYS CD C 27.95 . 1 491 . 52 LYS CE C 39.68 . 1 492 . 52 LYS H H 8.17 . 1 493 . 52 LYS HA H 4.03 . 1 494 . 52 LYS HB2 H 1.85 . 1 495 . 52 LYS HB3 H 1.85 . 1 496 . 52 LYS HG3 H 1.46 . 2 497 . 52 LYS HG2 H 1.27 . 2 498 . 52 LYS HD2 H 1.57 . 1 499 . 52 LYS HD3 H 1.57 . 1 500 . 52 LYS HE2 H 2.97 . 1 501 . 52 LYS HE3 H 2.97 . 1 502 . 53 ARG N N 119.41 . 1 503 . 53 ARG CA C 55.68 . 1 504 . 53 ARG CB C 28.62 . 1 505 . 53 ARG CG C 25.73 . 1 506 . 53 ARG CD C 41.32 . 1 507 . 53 ARG H H 8.27 . 1 508 . 53 ARG HA H 4.19 . 1 509 . 53 ARG HB2 H 1.88 . 1 510 . 53 ARG HB3 H 1.88 . 1 511 . 53 ARG HG2 H 1.64 . 1 512 . 53 ARG HG3 H 1.64 . 1 513 . 53 ARG HD2 H 3.20 . 1 514 . 53 ARG HD3 H 3.20 . 1 515 . 54 GLN N N 118.18 . 1 516 . 54 GLN CA C 53.27 . 1 517 . 54 GLN CB C 27.28 . 1 518 . 54 GLN CG C 31.38 . 1 519 . 54 GLN H H 8.03 . 1 520 . 54 GLN HA H 4.46 . 1 521 . 54 GLN HB3 H 2.19 . 2 522 . 54 GLN HB2 H 1.90 . 2 523 . 54 GLN HG3 H 2.35 . 2 524 . 54 GLN HG2 H 2.30 . 2 525 . 54 GLN NE2 N 112.45 . . 526 . 54 GLN HE21 H 7.70 . 2 527 . 54 GLN HE22 H 6.83 . 2 528 . 56 ASN CA C 50.49 . 1 529 . 56 ASN CB C 36.65 . 1 530 . 56 ASN HA H 4.62 . 1 531 . 56 ASN HB3 H 2.75 . 2 532 . 56 ASN HB2 H 2.61 . 2 533 . 56 ASN ND2 N 113.19 . 1 534 . 56 ASN HD21 H 7.57 . 2 535 . 56 ASN HD22 H 6.88 . 2 536 . 58 CYS N N 121.9 . 1 537 . 58 CYS CA C 57.59 . 1 538 . 58 CYS CB C 29.26 . 1 539 . 58 CYS H H 7.92 . 1 540 . 58 CYS HA H 4.43 . 1 541 . 58 CYS HB3 H 3.02 . 2 542 . 58 CYS HB2 H 2.72 . 2 543 . 59 GLN N N 129.71 . 1 544 . 59 GLN CA C 57.67 . 1 545 . 59 GLN CB C 25.91 . 1 546 . 59 GLN CG C 32.62 . 1 547 . 59 GLN H H 8.69 . 1 548 . 59 GLN HA H 3.69 . 1 549 . 59 GLN HB3 H 1.48 . 2 550 . 59 GLN HB2 H 0.56 . 2 551 . 59 GLN HG3 H 2.35 . 2 552 . 59 GLN HG2 H 2.12 . 2 553 . 59 GLN NE2 N 112.14 . 1 554 . 59 GLN HE21 H 7.40 . 2 555 . 59 GLN HE22 H 6.78 . 2 556 . 60 TYR N N 120.27 . 1 557 . 60 TYR CA C 60.74 . 1 558 . 60 TYR CB C 37.33 . 1 559 . 60 TYR CD1 C 133.31 . 3 560 . 60 TYR CE1 C 116.37 . 3 561 . 60 TYR H H 8.46 . 1 562 . 60 TYR HA H 4.16 . 1 563 . 60 TYR HB3 H 2.95 . 2 564 . 60 TYR HB2 H 2.73 . 2 565 . 60 TYR HD1 H 7.72 . 3 566 . 60 TYR HE1 H 6.94 . 3 567 . 61 CYS N N 123.88 . 1 568 . 61 CYS CA C 62.89 . 1 569 . 61 CYS CB C 28.38 . 1 570 . 61 CYS H H 9.65 . 1 571 . 61 CYS HA H 4.06 . 1 572 . 61 CYS HB3 H 3.07 . 2 573 . 61 CYS HB2 H 2.67 . 2 574 . 62 ARG N N 123.22 . 1 575 . 62 ARG CA C 58.31 . 1 576 . 62 ARG CB C 29.26 . 1 577 . 62 ARG CG C 24.76 . 1 578 . 62 ARG CD C 41.64 . 1 579 . 62 ARG H H 8.23 . 1 580 . 62 ARG HA H 3.76 . 1 581 . 62 ARG HB2 H 1.58 . 2 582 . 62 ARG HB3 H 1.66 . 2 583 . 63 TYR N N 119.69 . 1 584 . 63 TYR CA C 60.30 . 1 585 . 63 TYR CB C 36.09 . 1 586 . 63 TYR CD1 C 130.65 . 3 587 . 63 TYR CE1 C 117.16 . 3 588 . 63 TYR H H 8.54 . 1 589 . 63 TYR HA H 4.58 . 1 590 . 63 TYR HB2 H 3.56 . 1 591 . 63 TYR HB3 H 3.56 . 1 592 . 63 TYR HD1 H 7.15 . 3 593 . 63 TYR HE1 H 6.57 . 3 594 . 64 GLN N N 115.84 . 1 595 . 64 GLN CA C 56.32 . 1 596 . 64 GLN CB C 26.37 . 1 597 . 64 GLN CG C 31.45 . 1 598 . 64 GLN H H 8.53 . 1 599 . 64 GLN HA H 3.73 . 1 600 . 64 GLN HB3 H 2.12 . 2 601 . 64 GLN HB2 H 1.89 . 2 602 . 64 GLN HG3 H 2.19 . 2 603 . 64 GLN HG2 H 2.03 . 2 604 . 64 GLN NE2 N 112.29 . 1 605 . 64 GLN HE22 H 7.05 . 1 606 . 64 GLN HE21 H 7.05 . 1 607 . 65 LYS N N 121.26 . 1 608 . 65 LYS CA C 57.32 . 1 609 . 65 LYS CB C 30.24 . 1 610 . 65 LYS CG C 24.59 . 1 611 . 65 LYS CD C 28.16 . 1 612 . 65 LYS H H 8.16 . 1 613 . 65 LYS HA H 4.24 . 1 614 . 65 LYS HB3 H 2.04 . 2 615 . 65 LYS HB2 H 1.95 . 2 616 . 65 LYS HG3 H 1.50 . 2 617 . 65 LYS HG2 H 1.46 . 2 618 . 65 LYS HD2 H 1.84 . 1 619 . 65 LYS HD3 H 1.84 . 1 620 . 65 LYS HE2 H 3.19 . 1 621 . 65 LYS HE3 H 3.19 . 1 622 . 66 ALA N N 122.47 . 1 623 . 66 ALA CA C 54.26 . 1 624 . 66 ALA CB C 16.08 . 1 625 . 66 ALA H H 8.18 . 1 626 . 66 ALA HA H 3.77 . 1 627 . 66 ALA HB H 1.67 . 1 628 . 67 LEU N N 115.99 . 1 629 . 67 LEU CA C 55.35 . 1 630 . 67 LEU CB C 39.92 . 1 631 . 67 LEU CG C 24.49 . 1 632 . 67 LEU CD2 C 20.43 . 2 633 . 67 LEU CD1 C 23.99 . 2 634 . 67 LEU H H 7.90 . 1 635 . 67 LEU HA H 4.22 . 1 636 . 67 LEU HB3 H 1.79 . 2 637 . 67 LEU HB2 H 1.37 . 2 638 . 67 LEU HG H 1.33 . 1 639 . 67 LEU HD2 H 0.92 . 2 640 . 67 LEU HD1 H 0.66 . 2 641 . 68 ALA N N 124.46 . 1 642 . 68 ALA CA C 53.16 . 1 643 . 68 ALA CB C 16.07 . 1 644 . 68 ALA H H 8.46 . 1 645 . 68 ALA HA H 4.08 . 1 646 . 68 ALA HB H 1.56 . 1 647 . 69 MET N N 113.70 . 1 648 . 69 MET CA C 52.30 . 1 649 . 69 MET CB C 30.12 . 1 650 . 69 MET CG C 30.23 . 1 651 . 69 MET CE C 48.07 . 1 652 . 69 MET H H 8.28 . 1 653 . 69 MET HA H 4.66 . 1 654 . 69 MET HB2 H 2.01 . 1 655 . 69 MET HB3 H 2.01 . 1 656 . 69 MET HG3 H 2.85 . 2 657 . 69 MET HG2 H 2.63 . 2 658 . 69 MET HE H 2.15 . 1 659 . 70 GLY N N 128.52 . 1 660 . 70 GLY CA C 42.63 . 1 661 . 70 GLY H H 7.55 . 1 662 . 70 GLY HA3 H 4.35 . 2 663 . 70 GLY HA2 H 3.59 . 2 664 . 71 MET N N 122.22 . 1 665 . 71 MET CA C 56.71 . 1 666 . 71 MET CB C 30.20 . 1 667 . 71 MET CG C 33.10 . 1 668 . 71 MET CE C 48.46 . 1 669 . 71 MET H H 8.11 . 1 670 . 71 MET HA H 4.32 . 1 671 . 71 MET HB3 H 0.91 . 2 672 . 71 MET HB2 H 0.63 . 2 673 . 71 MET HG3 H 2.27 . 2 674 . 71 MET HG2 H 1.87 . 2 675 . 71 MET HE H 2.01 . 1 676 . 72 LYS N N 122.16 . 1 677 . 72 LYS CA C 52.41 . 1 678 . 72 LYS CB C 31.55 . 1 679 . 72 LYS CD C 27.55 . 1 680 . 72 LYS H H 8.01 . 1 681 . 72 LYS HA H 4.71 . 1 682 . 72 LYS HB3 H 1.84 . 2 683 . 72 LYS HB2 H 1.75 . 2 684 . 72 LYS HG3 H 1.61 . 2 685 . 72 LYS HG2 H 1.56 . 2 686 . 72 LYS HD2 H 1.64 . 1 687 . 72 LYS HD3 H 1.64 . 1 688 . 72 LYS HE3 H 2.35 . 1 689 . 72 LYS HE2 H 2.35 . 1 690 . 73 ARG N N 126.48 . 1 691 . 73 ARG CA C 58.21 . 1 692 . 73 ARG CB C 28.71 . 1 693 . 73 ARG CG C 26.34 . 1 694 . 73 ARG CD C 41.12 . 1 695 . 73 ARG H H 9.31 . 1 696 . 73 ARG HA H 3.93 . 1 697 . 73 ARG HB3 H 1.84 . 2 698 . 73 ARG HB2 H 1.76 . 2 699 . 73 ARG HG3 H 1.84 . 2 700 . 73 ARG HG2 H 1.52 . 2 701 . 73 ARG HD3 H 3.40 . 2 702 . 73 ARG HD2 H 3.24 . 2 703 . 74 GLU N N 117.30 . 1 704 . 74 GLU CA C 57.34 . 1 705 . 74 GLU CB C 26.67 . 1 706 . 74 GLU CG C 34.23 . 1 707 . 74 GLU H H 9.97 . 1 708 . 74 GLU HA H 4.06 . 1 709 . 74 GLU HB2 H 2.03 . 1 710 . 74 GLU HB3 H 2.03 . 1 711 . 74 GLU HG2 H 2.40 . 2 712 . 74 GLU HG3 H 2.34 . 2 713 . 75 ALA N N 120.33 . 1 714 . 75 ALA CA C 51.52 . 1 715 . 75 ALA CB C 17.4 . 1 716 . 75 ALA H H 7.32 . 1 717 . 75 ALA HA H 4.39 . 1 718 . 75 ALA HB H 1.73 . 1 719 . 76 VAL N N 118.93 . 1 720 . 76 VAL CA C 62.22 . 1 721 . 76 VAL CB C 29.26 . 1 722 . 76 VAL CG2 C 20.42 . 2 723 . 76 VAL CG1 C 19.51 . 2 724 . 76 VAL H H 7.22 . 1 725 . 76 VAL HA H 3.65 . 1 726 . 76 VAL HB H 2.08 . 1 727 . 76 VAL HG2 H 0.85 . 2 728 . 76 VAL HG1 H 0.36 . 2 729 . 77 GLN N N 120.11 . 1 730 . 77 GLN CA C 54.96 . 1 731 . 77 GLN CB C 27.38 . 1 732 . 77 GLN CG C 31.11 . 1 733 . 77 GLN H H 7.62 . 1 734 . 77 GLN HA H 4.29 . 1 735 . 77 GLN HB3 H 2.12 . 2 736 . 77 GLN HB2 H 2.05 . 2 737 . 77 GLN HG2 H 2.34 . 1 738 . 77 GLN HG3 H 2.34 . 1 739 . 78 GLU N N 119.64 . 1 740 . 78 GLU CA C 55.51 . 1 741 . 78 GLU CB C 28.38 . 1 742 . 78 GLU CG C 34.27 . 1 743 . 78 GLU H H 8.07 . 1 744 . 78 GLU HA H 4.19 . 1 745 . 78 GLU HB3 H 2.09 . 2 746 . 78 GLU HB2 H 2.01 . 2 747 . 78 GLU HG2 H 2.36 . 1 748 . 78 GLU HG3 H 2.36 . 1 749 . 79 GLU N N 120.87 . 1 750 . 79 GLU CA C 55.53 . 1 751 . 79 GLU CB C 28.58 . 1 752 . 79 GLU CG C 34.41 . 1 753 . 79 GLU H H 7.88 . 1 754 . 79 GLU HA H 4.22 . 1 755 . 79 GLU HB2 H 2.17 . 1 756 . 79 GLU HB3 H 2.17 . 1 757 . 79 GLU HG3 H 2.37 . 1 758 . 79 GLU HG2 H 2.29 . 1 759 . 80 ARG N N 121.91 . 1 760 . 80 ARG CA C 54.77 . 1 761 . 80 ARG CB C 28.88 . 1 762 . 80 ARG CG C 25.37 . 1 763 . 80 ARG CD C 41.32 . 1 764 . 80 ARG H H 8.17 . 1 765 . 80 ARG HA H 4.30 . 1 766 . 80 ARG HB3 H 1.92 . 2 767 . 80 ARG HB2 H 1.80 . 2 768 . 80 ARG HG2 H 1.66 . 1 769 . 80 ARG HG3 H 1.66 . 1 770 . 80 ARG HD2 H 3.20 . 1 771 . 80 ARG HD3 H 3.20 . 1 772 . 81 GLN N N 120.75 . 1 773 . 81 GLN CA C 54.49 . 1 774 . 81 GLN CB C 27.37 . 1 775 . 81 GLN CG C 31.69 . 1 776 . 81 GLN H H 8.32 . 1 777 . 81 GLN HA H 4.29 . 1 778 . 81 GLN HB3 H 2.14 . 2 779 . 81 GLN HB2 H 2.04 . 2 780 . 81 GLN HG2 H 2.40 . 1 781 . 81 GLN HG3 H 2.40 . 1 782 . 82 ARG N N 121.79 . 1 783 . 82 ARG CA C 54.41 . 1 784 . 82 ARG CB C 29.26 . 1 785 . 82 ARG CG C 25.36 . 1 786 . 82 ARG CD C 41.32 . 1 787 . 82 ARG H H 8.26 . 1 788 . 82 ARG HA H 4.36 . 1 789 . 82 ARG HB3 H 1.92 . 2 790 . 82 ARG HB2 H 1.81 . 2 791 . 82 ARG HG2 H 1.66 . 1 792 . 82 ARG HG3 H 1.66 . 1 793 . 82 ARG HD2 H 3.20 . 1 794 . 82 ARG HD3 H 3.20 . 1 795 . 83 NVA N N 115.86 . 1 796 . 83 NVA CA C 36.96 . 1 797 . 83 NVA H H 7.97 . 1 798 . 83 NVA CB C 42.05 . 1 799 . 83 NVA CG C 55.33 . 1 800 . 83 NVA CD C 59.26 . 1 801 . 83 NVA HB3 H 3.28 . 2 802 . 83 NVA HB2 H 3.07 . 2 803 . 83 NVA HG3 H 1.56 . 2 804 . 83 NVA HG2 H 1.47 . 2 805 . 83 NVA HD1 H 1.81 . 1 806 . 83 NVA HD2 H 1.81 . 1 807 . 83 NVA HD3 H 1.81 . 1 stop_ save_