data_16986 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; N-terminal domain of the DP1 subunit of an archaeal D-family DNA polymerase ; _BMRB_accession_number 16986 _BMRB_flat_file_name bmr16986.str _Entry_type original _Submission_date 2010-06-09 _Accession_date 2010-06-09 _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 Yamasaki Kazuhiko . . 2 Matsui Ikuo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 447 "13C chemical shifts" 183 "15N chemical shifts" 72 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-08-12 update BMRB 'Complete entry citation' 2010-07-26 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the N-terminal domain of the archaeal D-family DNA polymerase small subunit reveals evolutionary relationship to eukaryotic B-family polymerases.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20598295 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yamasaki Kazuhiko . . 2 Urushibata Yuji . . 3 Yamasaki Tomoko . . 4 Arisaka Fumio . . 5 Matsui Ikuo . . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_name_full 'FEBS letters' _Journal_volume 584 _Journal_issue 15 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3370 _Page_last 3375 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'DP1 subunit' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DP1 subunit' $DP1_subunit stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_DP1_subunit _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 8252.611 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 75 _Mol_residue_sequence ; GSHMDEFVKGLMKNGYLITP SAYYLLVGHFNEGKFSLIEL IKFAKSRETFIIDDEIANEF LKSIGAEVELPQEIK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 0 HIS 4 1 MET 5 2 ASP 6 3 GLU 7 4 PHE 8 5 VAL 9 6 LYS 10 7 GLY 11 8 LEU 12 9 MET 13 10 LYS 14 11 ASN 15 12 GLY 16 13 TYR 17 14 LEU 18 15 ILE 19 16 THR 20 17 PRO 21 18 SER 22 19 ALA 23 20 TYR 24 21 TYR 25 22 LEU 26 23 LEU 27 24 VAL 28 25 GLY 29 26 HIS 30 27 PHE 31 28 ASN 32 29 GLU 33 30 GLY 34 31 LYS 35 32 PHE 36 33 SER 37 34 LEU 38 35 ILE 39 36 GLU 40 37 LEU 41 38 ILE 42 39 LYS 43 40 PHE 44 41 ALA 45 42 LYS 46 43 SER 47 44 ARG 48 45 GLU 49 46 THR 50 47 PHE 51 48 ILE 52 49 ILE 53 50 ASP 54 51 ASP 55 52 GLU 56 53 ILE 57 54 ALA 58 55 ASN 59 56 GLU 60 57 PHE 61 58 LEU 62 59 LYS 63 60 SER 64 61 ILE 65 62 GLY 66 63 ALA 67 64 GLU 68 65 VAL 69 66 GLU 70 67 LEU 71 68 PRO 72 69 GLN 73 70 GLU 74 71 ILE 75 72 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 2KXE "N-Terminal Domain Of The Dp1 Subunit Of An Archaeal D-Family Dna Polymerase" 100.00 75 100.00 100.00 3.46e-45 DBJ BAA29192 "622aa long hypothetical protein [Pyrococcus horikoshii OT3]" 96.00 622 100.00 100.00 1.18e-38 REF WP_010884237 "DNA polymerase II small subunit [Pyrococcus horikoshii]" 96.00 622 100.00 100.00 1.18e-38 SP O57863 "RecName: Full=DNA polymerase II small subunit; Short=Pol II" 96.00 622 100.00 100.00 1.18e-38 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DP1_subunit 'Pyrococcus horikoshii' 53953 Archaea . Pyrococcus horikoshii 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 $DP1_subunit 'recombinant technology' . Escherichia coli BL21(DE3) pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling 'sodium phosphate' 150 mM . . 'natural abundance' H2O 95 % . . 'natural abundance' D2O 5 % . . 'natural abundance' $DP1_subunit . mM 0.7 3.3 '[U-99% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling 'sodium phosphate' 150 mM . . 'natural abundance' D2O 100 % . . 'natural abundance' $DP1_subunit . mM 0.7 3.3 '[U-99% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HMQC-NOESY-HMQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HMQC-NOESY-HMQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 5.5 . pH pressure 1 . atm temperature 318 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 5.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 carbons' ppm 0 external direct . . . 1.000000000 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 'ammonium hydroxide' N 15 nitrogen ppm 0 external direct . . . 1.000000000 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '2D DQF-COSY' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCA' '3D HN(CO)CA' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'DP1 subunit' _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 4 MET CA C 55.9 0.1 1 2 1 4 MET CB C 33.6 0.1 1 3 2 5 ASP H H 7.81 0.01 1 4 2 5 ASP HA H 4.67 0.01 1 5 2 5 ASP HB2 H 2.80 0.01 2 6 2 5 ASP HB3 H 3.13 0.01 2 7 2 5 ASP CA C 53.5 0.1 1 8 2 5 ASP CB C 42.4 0.1 1 9 2 5 ASP N N 119.5 0.1 1 10 3 6 GLU H H 8.56 0.01 1 11 3 6 GLU HA H 4.06 0.01 1 12 3 6 GLU HB2 H 2.22 0.01 1 13 3 6 GLU HB3 H 2.26 0.01 1 14 3 6 GLU HG2 H 2.50 0.01 2 15 3 6 GLU HG3 H 2.50 0.01 2 16 3 6 GLU CA C 59.3 0.1 1 17 3 6 GLU CB C 29.9 0.1 1 18 3 6 GLU N N 115.9 0.1 1 19 4 7 PHE H H 8.14 0.01 1 20 4 7 PHE HA H 4.07 0.01 1 21 4 7 PHE HB2 H 3.05 0.01 1 22 4 7 PHE HB3 H 3.32 0.01 1 23 4 7 PHE HD1 H 6.49 0.01 3 24 4 7 PHE HD2 H 6.49 0.01 3 25 4 7 PHE HE1 H 6.84 0.01 3 26 4 7 PHE HE2 H 6.84 0.01 3 27 4 7 PHE CA C 59.2 0.1 1 28 4 7 PHE CB C 39.6 0.1 1 29 4 7 PHE N N 118.3 0.1 1 30 5 8 VAL H H 8.12 0.01 1 31 5 8 VAL HA H 3.23 0.01 1 32 5 8 VAL HB H 1.98 0.01 1 33 5 8 VAL HG1 H 0.85 0.01 2 34 5 8 VAL HG2 H 0.93 0.01 2 35 5 8 VAL CA C 66.9 0.1 1 36 5 8 VAL CB C 32.1 0.1 1 37 5 8 VAL CG1 C 22.0 0.1 2 38 5 8 VAL CG2 C 24.8 0.1 2 39 5 8 VAL N N 114.4 0.1 1 40 6 9 LYS H H 8.50 0.01 1 41 6 9 LYS HA H 3.91 0.01 1 42 6 9 LYS HB2 H 1.78 0.01 2 43 6 9 LYS HB3 H 1.78 0.01 2 44 6 9 LYS HD2 H 1.64 0.01 2 45 6 9 LYS HD3 H 1.74 0.01 2 46 6 9 LYS HE2 H 2.88 0.01 2 47 6 9 LYS HE3 H 2.88 0.01 2 48 6 9 LYS HG2 H 1.35 0.01 2 49 6 9 LYS HG3 H 1.51 0.01 2 50 6 9 LYS CA C 60.1 0.1 1 51 6 9 LYS CB C 32.8 0.1 1 52 6 9 LYS N N 116.1 0.1 1 53 7 10 GLY H H 8.08 0.01 1 54 7 10 GLY HA2 H 3.75 0.01 2 55 7 10 GLY HA3 H 3.80 0.01 2 56 7 10 GLY CA C 47.1 0.1 1 57 7 10 GLY N N 103.7 0.1 1 58 8 11 LEU H H 7.66 0.01 1 59 8 11 LEU HA H 3.95 0.01 1 60 8 11 LEU HB2 H 1.73 0.01 1 61 8 11 LEU HB3 H 1.23 0.01 1 62 8 11 LEU HD1 H 0.13 0.01 1 63 8 11 LEU HD2 H 0.39 0.01 1 64 8 11 LEU HG H 1.40 0.01 1 65 8 11 LEU CA C 58.6 0.1 1 66 8 11 LEU CB C 41.3 0.1 1 67 8 11 LEU CD1 C 26.6 0.1 1 68 8 11 LEU CD2 C 23.0 0.1 1 69 8 11 LEU CG C 26.0 0.1 1 70 8 11 LEU N N 119.6 0.1 1 71 9 12 MET H H 8.48 0.01 1 72 9 12 MET HA H 4.36 0.01 1 73 9 12 MET HB2 H 2.18 0.01 2 74 9 12 MET HB3 H 2.18 0.01 2 75 9 12 MET HE H 2.03 0.01 1 76 9 12 MET HG2 H 2.59 0.01 2 77 9 12 MET HG3 H 2.69 0.01 2 78 9 12 MET CA C 59.4 0.1 1 79 9 12 MET CB C 32.5 0.1 1 80 9 12 MET N N 117.3 0.1 1 81 10 13 LYS H H 8.47 0.01 1 82 10 13 LYS HA H 4.11 0.01 1 83 10 13 LYS HB2 H 2.01 0.01 1 84 10 13 LYS HB3 H 1.90 0.01 1 85 10 13 LYS HE2 H 2.98 0.01 2 86 10 13 LYS HE3 H 2.98 0.01 2 87 10 13 LYS HG2 H 1.57 0.01 2 88 10 13 LYS HG3 H 1.57 0.01 2 89 10 13 LYS CA C 58.8 0.1 1 90 10 13 LYS CB C 32.5 0.1 1 91 10 13 LYS N N 117.1 0.1 1 92 11 14 ASN H H 7.36 0.01 1 93 11 14 ASN HA H 4.84 0.01 1 94 11 14 ASN HB2 H 2.77 0.01 1 95 11 14 ASN HB3 H 3.15 0.01 1 96 11 14 ASN HD21 H 7.23 0.01 2 97 11 14 ASN HD22 H 7.65 0.01 2 98 11 14 ASN CA C 54.1 0.1 1 99 11 14 ASN CB C 42.2 0.1 1 100 11 14 ASN N N 111.4 0.1 1 101 11 14 ASN ND2 N 111.6 0.1 1 102 12 15 GLY H H 7.98 0.01 1 103 12 15 GLY HA2 H 3.57 0.01 2 104 12 15 GLY HA3 H 4.05 0.01 2 105 12 15 GLY CA C 45.8 0.1 1 106 12 15 GLY N N 104.1 0.1 1 107 13 16 TYR H H 7.98 0.01 1 108 13 16 TYR HA H 4.94 0.01 1 109 13 16 TYR HB2 H 2.57 0.01 2 110 13 16 TYR HB3 H 2.57 0.01 2 111 13 16 TYR HD1 H 6.75 0.01 3 112 13 16 TYR HD2 H 6.75 0.01 3 113 13 16 TYR HE1 H 6.84 0.01 3 114 13 16 TYR HE2 H 6.84 0.01 3 115 13 16 TYR CA C 58.1 0.1 1 116 13 16 TYR CB C 41.8 0.1 1 117 13 16 TYR N N 115.5 0.1 1 118 14 17 LEU H H 8.40 0.01 1 119 14 17 LEU HA H 4.62 0.01 1 120 14 17 LEU HB2 H 1.52 0.01 1 121 14 17 LEU HB3 H 1.45 0.01 1 122 14 17 LEU HD1 H 0.71 0.01 2 123 14 17 LEU HD2 H 0.76 0.01 2 124 14 17 LEU HG H 1.55 0.01 1 125 14 17 LEU CA C 52.9 0.1 1 126 14 17 LEU CB C 45.3 0.1 1 127 14 17 LEU N N 116.7 0.1 1 128 15 18 ILE H H 8.00 0.01 1 129 15 18 ILE HA H 5.36 0.01 1 130 15 18 ILE HB H 1.44 0.01 1 131 15 18 ILE HD1 H 0.72 0.01 1 132 15 18 ILE HG12 H 1.54 0.01 2 133 15 18 ILE HG13 H 1.93 0.01 2 134 15 18 ILE HG2 H 0.82 0.01 1 135 15 18 ILE CA C 58.1 0.1 1 136 15 18 ILE CB C 42.5 0.1 1 137 15 18 ILE CD1 C 16.3 0.1 1 138 15 18 ILE CG2 C 15.7 0.1 1 139 15 18 ILE N N 116.2 0.1 1 140 16 19 THR H H 8.09 0.01 1 141 16 19 THR HA H 4.69 0.01 1 142 16 19 THR HB H 4.79 0.01 1 143 16 19 THR HG2 H 1.29 0.01 1 144 16 19 THR CA C 59.8 0.1 1 145 16 19 THR CB C 68.1 0.1 1 146 16 19 THR CG2 C 22.6 0.1 1 147 16 19 THR N N 114.3 0.1 1 148 17 20 PRO HA H 4.16 0.01 1 149 17 20 PRO HB2 H 2.12 0.01 2 150 17 20 PRO HB3 H 2.37 0.01 2 151 17 20 PRO HD2 H 3.86 0.01 2 152 17 20 PRO HD3 H 3.99 0.01 2 153 17 20 PRO HG2 H 2.19 0.01 2 154 17 20 PRO HG3 H 2.19 0.01 2 155 17 20 PRO CA C 66.1 0.1 1 156 18 21 SER H H 8.12 0.01 1 157 18 21 SER HA H 4.33 0.01 1 158 18 21 SER HB2 H 3.93 0.01 2 159 18 21 SER HB3 H 3.93 0.01 2 160 18 21 SER CA C 61.3 0.1 1 161 18 21 SER N N 105.8 0.1 1 162 19 22 ALA H H 7.41 0.01 1 163 19 22 ALA HA H 3.95 0.01 1 164 19 22 ALA HB H 1.29 0.01 1 165 19 22 ALA CA C 55.1 0.1 1 166 19 22 ALA CB C 19.3 0.1 1 167 19 22 ALA N N 122.5 0.1 1 168 20 23 TYR H H 8.55 0.01 1 169 20 23 TYR HA H 4.00 0.01 1 170 20 23 TYR HB2 H 2.76 0.01 1 171 20 23 TYR HB3 H 3.30 0.01 1 172 20 23 TYR HD1 H 6.46 0.01 3 173 20 23 TYR HD2 H 6.46 0.01 3 174 20 23 TYR HE1 H 6.89 0.01 3 175 20 23 TYR HE2 H 6.89 0.01 3 176 20 23 TYR CA C 62.5 0.1 1 177 20 23 TYR CB C 38.1 0.1 1 178 20 23 TYR N N 116.2 0.1 1 179 21 24 TYR H H 7.97 0.01 1 180 21 24 TYR HA H 4.08 0.01 1 181 21 24 TYR HB2 H 2.99 0.01 1 182 21 24 TYR HB3 H 3.20 0.01 1 183 21 24 TYR HD1 H 7.27 0.01 3 184 21 24 TYR HD2 H 7.27 0.01 3 185 21 24 TYR HE1 H 6.91 0.01 3 186 21 24 TYR HE2 H 6.91 0.01 3 187 21 24 TYR CA C 61.8 0.1 1 188 21 24 TYR CB C 38.2 0.1 1 189 21 24 TYR N N 113.5 0.1 1 190 22 25 LEU H H 7.61 0.01 1 191 22 25 LEU HA H 4.25 0.01 1 192 22 25 LEU HB2 H 1.99 0.01 1 193 22 25 LEU HB3 H 1.46 0.01 1 194 22 25 LEU HD1 H 0.92 0.01 2 195 22 25 LEU HD2 H 0.93 0.01 2 196 22 25 LEU HG H 1.88 0.01 1 197 22 25 LEU CA C 57.3 0.1 1 198 22 25 LEU CB C 43.5 0.1 1 199 22 25 LEU CD1 C 24.1 0.1 2 200 22 25 LEU CD2 C 25.4 0.1 2 201 22 25 LEU N N 115.0 0.1 1 202 23 26 LEU H H 7.67 0.01 1 203 23 26 LEU HA H 4.59 0.01 1 204 23 26 LEU HB2 H 1.60 0.01 2 205 23 26 LEU HB3 H 2.01 0.01 2 206 23 26 LEU HD1 H 0.84 0.01 1 207 23 26 LEU HD2 H 0.93 0.01 1 208 23 26 LEU HG H 1.56 0.01 1 209 23 26 LEU CA C 56.7 0.1 1 210 23 26 LEU CB C 45.9 0.1 1 211 23 26 LEU N N 111.8 0.1 1 212 24 27 VAL H H 8.67 0.01 1 213 24 27 VAL HA H 3.18 0.01 1 214 24 27 VAL HB H 1.32 0.01 1 215 24 27 VAL HG1 H 0.55 0.01 1 216 24 27 VAL HG2 H 0.88 0.01 1 217 24 27 VAL CA C 66.2 0.1 1 218 24 27 VAL CB C 30.7 0.1 1 219 24 27 VAL CG1 C 19.1 0.1 1 220 24 27 VAL CG2 C 22.2 0.1 1 221 24 27 VAL N N 117.4 0.1 1 222 25 28 GLY H H 8.30 0.01 1 223 25 28 GLY HA2 H 3.64 0.01 2 224 25 28 GLY HA3 H 3.77 0.01 2 225 25 28 GLY CA C 46.9 0.1 1 226 25 28 GLY N N 108.3 0.1 1 227 26 29 HIS H H 7.11 0.01 1 228 26 29 HIS HA H 4.40 0.01 1 229 26 29 HIS HB2 H 3.00 0.01 1 230 26 29 HIS HB3 H 3.34 0.01 1 231 26 29 HIS HD2 H 7.43 0.01 1 232 26 29 HIS HE1 H 7.97 0.01 1 233 26 29 HIS CA C 58.4 0.1 1 234 26 29 HIS CB C 30.9 0.1 1 235 26 29 HIS N N 115.7 0.1 1 236 27 30 PHE H H 8.06 0.01 1 237 27 30 PHE HA H 3.22 0.01 1 238 27 30 PHE HB2 H 2.26 0.01 1 239 27 30 PHE HB3 H 2.52 0.01 1 240 27 30 PHE HD1 H 6.63 0.01 3 241 27 30 PHE HD2 H 6.63 0.01 3 242 27 30 PHE HE1 H 7.27 0.01 3 243 27 30 PHE HE2 H 7.27 0.01 3 244 27 30 PHE HZ H 7.37 0.01 1 245 27 30 PHE CA C 61.2 0.1 1 246 27 30 PHE CB C 38.4 0.1 1 247 27 30 PHE N N 118.6 0.1 1 248 28 31 ASN H H 8.80 0.01 1 249 28 31 ASN HA H 4.23 0.01 1 250 28 31 ASN HB2 H 2.83 0.01 2 251 28 31 ASN HB3 H 2.92 0.01 2 252 28 31 ASN HD21 H 6.93 0.01 2 253 28 31 ASN HD22 H 7.45 0.01 2 254 28 31 ASN CA C 55.4 0.1 1 255 28 31 ASN CB C 37.8 0.1 1 256 28 31 ASN N N 117.4 0.1 1 257 28 31 ASN ND2 N 106.9 0.1 1 258 29 32 GLU H H 7.38 0.01 1 259 29 32 GLU HA H 4.27 0.01 1 260 29 32 GLU HB2 H 2.01 0.01 2 261 29 32 GLU HB3 H 2.23 0.01 2 262 29 32 GLU HG2 H 2.33 0.01 2 263 29 32 GLU HG3 H 2.44 0.01 2 264 29 32 GLU CA C 56.1 0.1 1 265 29 32 GLU CB C 30.4 0.1 1 266 29 32 GLU N N 113.7 0.1 1 267 30 33 GLY H H 7.71 0.01 1 268 30 33 GLY HA2 H 3.72 0.01 2 269 30 33 GLY HA3 H 3.93 0.01 2 270 30 33 GLY CA C 45.7 0.1 1 271 30 33 GLY N N 104.3 0.1 1 272 31 34 LYS H H 7.87 0.01 1 273 31 34 LYS HA H 4.12 0.01 1 274 31 34 LYS HB2 H 1.83 0.01 2 275 31 34 LYS HB3 H 1.95 0.01 2 276 31 34 LYS HD2 H 1.74 0.01 2 277 31 34 LYS HD3 H 1.74 0.01 2 278 31 34 LYS HE2 H 3.00 0.01 2 279 31 34 LYS HE3 H 3.00 0.01 2 280 31 34 LYS HG2 H 1.51 0.01 2 281 31 34 LYS HG3 H 1.65 0.01 2 282 31 34 LYS CA C 57.2 0.1 1 283 31 34 LYS CB C 33.2 0.1 1 284 31 34 LYS N N 113.4 0.1 1 285 32 35 PHE H H 6.93 0.01 1 286 32 35 PHE HA H 5.05 0.01 1 287 32 35 PHE HB2 H 3.21 0.01 2 288 32 35 PHE HB3 H 3.35 0.01 2 289 32 35 PHE HD1 H 7.23 0.01 3 290 32 35 PHE HD2 H 7.23 0.01 3 291 32 35 PHE HE1 H 7.27 0.01 3 292 32 35 PHE HE2 H 7.27 0.01 3 293 32 35 PHE HZ H 7.16 0.01 1 294 32 35 PHE CA C 55.7 0.1 1 295 32 35 PHE CB C 41.4 0.1 1 296 32 35 PHE N N 105.7 0.1 1 297 33 36 SER H H 9.06 0.01 1 298 33 36 SER HA H 4.92 0.01 1 299 33 36 SER HB2 H 4.02 0.01 2 300 33 36 SER HB3 H 4.33 0.01 2 301 33 36 SER CA C 55.9 0.1 1 302 33 36 SER CB C 66.4 0.1 1 303 33 36 SER N N 112.9 0.1 1 304 34 37 LEU H H 9.33 0.01 1 305 34 37 LEU HA H 4.10 0.01 1 306 34 37 LEU HB2 H 1.74 0.01 1 307 34 37 LEU HB3 H 1.89 0.01 1 308 34 37 LEU HD1 H 0.80 0.01 1 309 34 37 LEU HD2 H 0.88 0.01 1 310 34 37 LEU HG H 1.74 0.01 1 311 34 37 LEU CA C 59.0 0.1 1 312 34 37 LEU CB C 42.5 0.1 1 313 34 37 LEU CG C 27.0 0.1 1 314 34 37 LEU N N 121.1 0.1 1 315 35 38 ILE H H 8.04 0.01 1 316 35 38 ILE HA H 3.90 0.01 1 317 35 38 ILE HB H 1.93 0.01 1 318 35 38 ILE HD1 H 0.94 0.01 1 319 35 38 ILE HG12 H 1.43 0.01 2 320 35 38 ILE HG13 H 1.52 0.01 2 321 35 38 ILE HG2 H 1.00 0.01 1 322 35 38 ILE CA C 62.9 0.1 1 323 35 38 ILE CB C 38.0 0.1 1 324 35 38 ILE CD1 C 13.5 0.1 1 325 35 38 ILE CG1 C 28.6 0.1 1 326 35 38 ILE CG2 C 18.4 0.1 1 327 35 38 ILE N N 111.6 0.1 1 328 36 39 GLU H H 7.66 0.01 1 329 36 39 GLU HA H 4.08 0.01 1 330 36 39 GLU HB2 H 2.67 0.01 1 331 36 39 GLU HB3 H 2.36 0.01 1 332 36 39 GLU HG2 H 2.51 0.01 2 333 36 39 GLU HG3 H 2.51 0.01 2 334 36 39 GLU CA C 59.8 0.1 1 335 36 39 GLU CB C 30.3 0.1 1 336 36 39 GLU N N 117.6 0.1 1 337 37 40 LEU H H 7.27 0.01 1 338 37 40 LEU HA H 3.34 0.01 1 339 37 40 LEU HB2 H 0.87 0.01 2 340 37 40 LEU HB3 H 1.81 0.01 2 341 37 40 LEU HD1 H -0.10 0.01 1 342 37 40 LEU HD2 H 0.81 0.01 1 343 37 40 LEU HG H 1.02 0.01 1 344 37 40 LEU CA C 57.1 0.1 1 345 37 40 LEU CB C 41.3 0.1 1 346 37 40 LEU CD1 C 20.8 0.1 1 347 37 40 LEU CD2 C 28.5 0.1 1 348 37 40 LEU CG C 27.1 0.1 1 349 37 40 LEU N N 117.8 0.1 1 350 38 41 ILE H H 8.04 0.01 1 351 38 41 ILE HA H 2.94 0.01 1 352 38 41 ILE HB H 1.66 0.01 1 353 38 41 ILE HD1 H 0.61 0.01 1 354 38 41 ILE HG12 H 0.35 0.01 2 355 38 41 ILE HG13 H 1.28 0.01 2 356 38 41 ILE HG2 H 0.69 0.01 1 357 38 41 ILE CA C 65.5 0.1 1 358 38 41 ILE CB C 37.5 0.1 1 359 38 41 ILE CG2 C 16.6 0.1 1 360 38 41 ILE N N 116.5 0.1 1 361 39 42 LYS H H 8.40 0.01 1 362 39 42 LYS HA H 3.86 0.01 1 363 39 42 LYS HB2 H 1.91 0.01 2 364 39 42 LYS HB3 H 1.91 0.01 2 365 39 42 LYS HD2 H 1.70 0.01 2 366 39 42 LYS HD3 H 1.70 0.01 2 367 39 42 LYS HE2 H 2.99 0.01 2 368 39 42 LYS HE3 H 2.99 0.01 2 369 39 42 LYS CA C 60.1 0.1 1 370 39 42 LYS CB C 32.7 0.1 1 371 39 42 LYS N N 115.1 0.1 1 372 40 43 PHE H H 7.74 0.01 1 373 40 43 PHE HA H 4.16 0.01 1 374 40 43 PHE HB2 H 3.38 0.01 1 375 40 43 PHE HB3 H 3.11 0.01 1 376 40 43 PHE HD1 H 7.13 0.01 3 377 40 43 PHE HD2 H 7.13 0.01 3 378 40 43 PHE HE1 H 7.41 0.01 3 379 40 43 PHE HE2 H 7.41 0.01 3 380 40 43 PHE HZ H 7.18 0.01 1 381 40 43 PHE CA C 61.8 0.1 1 382 40 43 PHE CB C 40.3 0.1 1 383 40 43 PHE N N 118.0 0.1 1 384 41 44 ALA H H 8.50 0.01 1 385 41 44 ALA HA H 3.70 0.01 1 386 41 44 ALA HB H 1.33 0.01 1 387 41 44 ALA CA C 56.0 0.1 1 388 41 44 ALA CB C 17.6 0.1 1 389 41 44 ALA N N 120.8 0.1 1 390 42 45 LYS H H 8.83 0.01 1 391 42 45 LYS HA H 4.29 0.01 1 392 42 45 LYS HB2 H 1.88 0.01 2 393 42 45 LYS HB3 H 2.05 0.01 2 394 42 45 LYS HD2 H 1.72 0.01 2 395 42 45 LYS HD3 H 1.72 0.01 2 396 42 45 LYS HE2 H 3.02 0.01 2 397 42 45 LYS HE3 H 3.02 0.01 2 398 42 45 LYS HG2 H 1.47 0.01 2 399 42 45 LYS HG3 H 1.59 0.01 2 400 42 45 LYS CA C 59.4 0.1 1 401 42 45 LYS CB C 32.4 0.1 1 402 42 45 LYS CE C 42.6 0.1 1 403 42 45 LYS N N 115.6 0.1 1 404 43 46 SER H H 7.91 0.01 1 405 43 46 SER HA H 4.31 0.01 1 406 43 46 SER HB2 H 3.96 0.01 2 407 43 46 SER HB3 H 3.96 0.01 2 408 43 46 SER CA C 61.2 0.1 1 409 43 46 SER CB C 63.2 0.1 1 410 43 46 SER N N 113.8 0.1 1 411 44 47 ARG H H 7.29 0.01 1 412 44 47 ARG HA H 4.32 0.01 1 413 44 47 ARG HB2 H 1.51 0.01 2 414 44 47 ARG HB3 H 2.08 0.01 2 415 44 47 ARG HD2 H 2.80 0.01 2 416 44 47 ARG HD3 H 2.80 0.01 2 417 44 47 ARG HE H 7.18 0.01 1 418 44 47 ARG HG2 H 1.30 0.01 2 419 44 47 ARG HG3 H 1.30 0.01 2 420 44 47 ARG CA C 54.5 0.1 1 421 44 47 ARG CB C 29.8 0.1 1 422 44 47 ARG N N 117.8 0.1 1 423 45 48 GLU H H 7.98 0.01 1 424 45 48 GLU HA H 3.82 0.01 1 425 45 48 GLU HB2 H 2.09 0.01 2 426 45 48 GLU HB3 H 2.18 0.01 2 427 45 48 GLU HG2 H 2.17 0.01 2 428 45 48 GLU HG3 H 2.17 0.01 2 429 45 48 GLU CA C 56.6 0.1 1 430 45 48 GLU CB C 27.1 0.1 1 431 45 48 GLU N N 112.9 0.1 1 432 46 49 THR H H 7.30 0.01 1 433 46 49 THR HA H 4.85 0.01 1 434 46 49 THR HB H 3.93 0.01 1 435 46 49 THR HG2 H 1.09 0.01 1 436 46 49 THR CA C 59.0 0.1 1 437 46 49 THR CB C 71.1 0.1 1 438 46 49 THR CG2 C 19.6 0.1 1 439 46 49 THR N N 107.5 0.1 1 440 47 50 PHE H H 8.06 0.01 1 441 47 50 PHE HA H 4.91 0.01 1 442 47 50 PHE HB2 H 2.76 0.01 2 443 47 50 PHE HB3 H 3.01 0.01 2 444 47 50 PHE HD1 H 6.75 0.01 3 445 47 50 PHE HD2 H 6.75 0.01 3 446 47 50 PHE HE1 H 7.10 0.01 3 447 47 50 PHE HE2 H 7.10 0.01 3 448 47 50 PHE HZ H 7.11 0.01 1 449 47 50 PHE CA C 57.1 0.1 1 450 47 50 PHE CB C 39.7 0.1 1 451 48 51 ILE H H 8.13 0.01 1 452 48 51 ILE HA H 4.44 0.01 1 453 48 51 ILE HB H 1.63 0.01 1 454 48 51 ILE HD1 H 0.69 0.01 1 455 48 51 ILE HG12 H 0.77 0.01 2 456 48 51 ILE HG13 H 1.16 0.01 2 457 48 51 ILE HG2 H 0.68 0.01 1 458 48 51 ILE CA C 59.9 0.1 1 459 48 51 ILE CB C 39.8 0.1 1 460 48 51 ILE N N 117.8 0.1 1 461 49 52 ILE H H 9.08 0.01 1 462 49 52 ILE HA H 3.84 0.01 1 463 49 52 ILE HB H 2.01 0.01 1 464 49 52 ILE HD1 H 0.58 0.01 1 465 49 52 ILE HG12 H 1.07 0.01 2 466 49 52 ILE HG13 H 1.44 0.01 2 467 49 52 ILE HG2 H 0.76 0.01 1 468 49 52 ILE CA C 61.1 0.1 1 469 49 52 ILE CB C 36.7 0.1 1 470 49 52 ILE CD1 C 13.6 0.1 1 471 49 52 ILE CG1 C 27.8 0.1 1 472 49 52 ILE CG2 C 17.8 0.1 1 473 49 52 ILE N N 124.7 0.1 1 474 50 53 ASP H H 6.97 0.01 1 475 50 53 ASP HA H 5.23 0.01 1 476 50 53 ASP HB2 H 2.56 0.01 2 477 50 53 ASP HB3 H 3.27 0.01 2 478 50 53 ASP CA C 51.4 0.1 1 479 50 53 ASP CB C 42.9 0.1 1 480 50 53 ASP N N 122.9 0.1 1 481 51 54 ASP H H 8.32 0.01 1 482 51 54 ASP HA H 3.99 0.01 1 483 51 54 ASP HB2 H 2.56 0.01 1 484 51 54 ASP HB3 H 2.66 0.01 1 485 51 54 ASP CA C 58.1 0.1 1 486 51 54 ASP CB C 40.2 0.1 1 487 51 54 ASP N N 114.5 0.1 1 488 52 55 GLU H H 7.77 0.01 1 489 52 55 GLU HA H 4.19 0.01 1 490 52 55 GLU HB2 H 2.20 0.01 2 491 52 55 GLU HB3 H 2.20 0.01 2 492 52 55 GLU HG2 H 2.30 0.01 2 493 52 55 GLU HG3 H 2.39 0.01 2 494 52 55 GLU CA C 59.8 0.1 1 495 52 55 GLU CB C 29.4 0.1 1 496 52 55 GLU N N 116.8 0.1 1 497 53 56 ILE H H 8.11 0.01 1 498 53 56 ILE HA H 3.98 0.01 1 499 53 56 ILE HB H 2.27 0.01 1 500 53 56 ILE HD1 H 0.86 0.01 1 501 53 56 ILE HG12 H 1.77 0.01 2 502 53 56 ILE HG13 H 1.94 0.01 2 503 53 56 ILE HG2 H 0.99 0.01 1 504 53 56 ILE CA C 62.5 0.1 1 505 53 56 ILE CB C 36.2 0.1 1 506 53 56 ILE CD1 C 10.2 0.1 1 507 53 56 ILE CG2 C 17.9 0.1 1 508 53 56 ILE N N 116.1 0.1 1 509 54 57 ALA H H 8.78 0.01 1 510 54 57 ALA HA H 3.84 0.01 1 511 54 57 ALA HB H 1.44 0.01 1 512 54 57 ALA CA C 56.0 0.1 1 513 54 57 ALA CB C 19.1 0.1 1 514 54 57 ALA N N 117.6 0.1 1 515 55 58 ASN H H 8.45 0.01 1 516 55 58 ASN HA H 4.38 0.01 1 517 55 58 ASN HB2 H 2.70 0.01 1 518 55 58 ASN HB3 H 2.93 0.01 1 519 55 58 ASN HD21 H 6.71 0.01 2 520 55 58 ASN HD22 H 7.32 0.01 2 521 55 58 ASN CA C 56.8 0.1 1 522 55 58 ASN CB C 39.3 0.1 1 523 55 58 ASN N N 112.0 0.1 1 524 55 58 ASN ND2 N 108.5 0.1 1 525 56 59 GLU H H 8.17 0.01 1 526 56 59 GLU HA H 4.01 0.01 1 527 56 59 GLU HB2 H 2.36 0.01 2 528 56 59 GLU HB3 H 2.36 0.01 2 529 56 59 GLU HG2 H 2.51 0.01 2 530 56 59 GLU HG3 H 2.65 0.01 2 531 56 59 GLU CA C 59.4 0.1 1 532 56 59 GLU CB C 29.4 0.1 1 533 56 59 GLU CG C 36.9 0.1 1 534 56 59 GLU N N 116.2 0.1 1 535 57 60 PHE H H 8.80 0.01 1 536 57 60 PHE HA H 2.94 0.01 1 537 57 60 PHE HB2 H 2.43 0.01 1 538 57 60 PHE HB3 H 2.64 0.01 1 539 57 60 PHE HD1 H 6.19 0.01 3 540 57 60 PHE HD2 H 6.19 0.01 3 541 57 60 PHE HE1 H 5.91 0.01 3 542 57 60 PHE HE2 H 5.91 0.01 3 543 57 60 PHE HZ H 6.51 0.01 1 544 57 60 PHE CA C 60.3 0.1 1 545 57 60 PHE CB C 38.5 0.1 1 546 57 60 PHE N N 119.4 0.1 1 547 58 61 LEU H H 8.18 0.01 1 548 58 61 LEU HA H 3.40 0.01 1 549 58 61 LEU HB2 H 1.84 0.01 1 550 58 61 LEU HB3 H 1.09 0.01 1 551 58 61 LEU HD1 H 0.79 0.01 1 552 58 61 LEU HD2 H 0.41 0.01 1 553 58 61 LEU HG H 1.75 0.01 1 554 58 61 LEU CA C 57.5 0.1 1 555 58 61 LEU CB C 40.9 0.1 1 556 58 61 LEU CD1 C 25.9 0.1 1 557 58 61 LEU CD2 C 22.3 0.1 1 558 58 61 LEU CG C 26.9 0.1 1 559 58 61 LEU N N 116.4 0.1 1 560 59 62 LYS H H 7.59 0.01 1 561 59 62 LYS HA H 4.02 0.01 1 562 59 62 LYS HB2 H 1.85 0.01 2 563 59 62 LYS HB3 H 1.85 0.01 2 564 59 62 LYS HD2 H 1.67 0.01 2 565 59 62 LYS HD3 H 1.67 0.01 2 566 59 62 LYS HE2 H 2.94 0.01 2 567 59 62 LYS HE3 H 2.94 0.01 2 568 59 62 LYS HG2 H 1.39 0.01 2 569 59 62 LYS HG3 H 1.39 0.01 2 570 59 62 LYS CA C 59.2 0.1 1 571 59 62 LYS CB C 32.5 0.1 1 572 59 62 LYS N N 114.7 0.1 1 573 60 63 SER H H 7.70 0.01 1 574 60 63 SER HA H 4.21 0.01 1 575 60 63 SER HB2 H 3.88 0.01 2 576 60 63 SER HB3 H 3.92 0.01 2 577 60 63 SER CA C 61.4 0.1 1 578 60 63 SER CB C 63.3 0.1 1 579 60 63 SER N N 113.8 0.1 1 580 61 64 ILE H H 6.91 0.01 1 581 61 64 ILE HA H 4.38 0.01 1 582 61 64 ILE HB H 1.99 0.01 1 583 61 64 ILE HD1 H 0.42 0.01 1 584 61 64 ILE HG12 H 0.72 0.01 2 585 61 64 ILE HG13 H 0.92 0.01 2 586 61 64 ILE HG2 H 0.30 0.01 1 587 61 64 ILE CA C 61.2 0.1 1 588 61 64 ILE CB C 38.1 0.1 1 589 61 64 ILE CD1 C 14.7 0.1 1 590 61 64 ILE CG2 C 17.6 0.1 1 591 61 64 ILE N N 110.3 0.1 1 592 62 65 GLY H H 7.58 0.01 1 593 62 65 GLY HA2 H 3.83 0.01 2 594 62 65 GLY HA3 H 3.96 0.01 2 595 62 65 GLY CA C 46.3 0.1 1 596 62 65 GLY N N 107.2 0.1 1 597 63 66 ALA H H 7.76 0.01 1 598 63 66 ALA HA H 4.35 0.01 1 599 63 66 ALA HB H 1.01 0.01 1 600 63 66 ALA CA C 51.7 0.1 1 601 63 66 ALA CB C 20.0 0.1 1 602 63 66 ALA N N 119.2 0.1 1 603 64 67 GLU H H 8.07 0.01 1 604 64 67 GLU HA H 4.30 0.01 1 605 64 67 GLU HB2 H 1.88 0.01 2 606 64 67 GLU HB3 H 1.88 0.01 2 607 64 67 GLU HG2 H 2.26 0.01 2 608 64 67 GLU HG3 H 2.26 0.01 2 609 64 67 GLU CA C 56.1 0.1 1 610 64 67 GLU CB C 30.5 0.1 1 611 64 67 GLU N N 116.2 0.1 1 612 65 68 VAL H H 7.99 0.01 1 613 65 68 VAL HA H 4.18 0.01 1 614 65 68 VAL HB H 2.05 0.01 1 615 65 68 VAL HG1 H 0.90 0.01 2 616 65 68 VAL HG2 H 0.90 0.01 2 617 65 68 VAL CA C 61.8 0.1 1 618 65 68 VAL CB C 33.4 0.1 1 619 65 68 VAL CG1 C 21.4 0.1 2 620 65 68 VAL CG2 C 21.4 0.1 2 621 65 68 VAL N N 117.4 0.1 1 622 66 69 GLU H H 8.26 0.01 1 623 66 69 GLU HA H 4.36 0.01 1 624 66 69 GLU HB2 H 2.00 0.01 2 625 66 69 GLU HB3 H 2.00 0.01 2 626 66 69 GLU CA C 55.9 0.1 1 627 66 69 GLU CB C 30.7 0.1 1 628 66 69 GLU N N 121.4 0.1 1 629 67 70 LEU H H 8.19 0.01 1 630 67 70 LEU HA H 4.62 0.01 1 631 67 70 LEU HB2 H 1.55 0.01 2 632 67 70 LEU HB3 H 1.55 0.01 2 633 67 70 LEU HD1 H 0.89 0.01 2 634 67 70 LEU HD2 H 0.91 0.01 2 635 67 70 LEU HG H 1.64 0.01 1 636 67 70 LEU CA C 52.8 0.1 1 637 67 70 LEU CB C 42.2 0.1 1 638 67 70 LEU CD1 C 23.8 0.1 2 639 67 70 LEU CD2 C 25.5 0.1 2 640 67 70 LEU CG C 27.6 0.1 1 641 67 70 LEU N N 122.1 0.1 1 642 68 71 PRO HA H 4.42 0.01 1 643 68 71 PRO HB2 H 1.91 0.01 2 644 68 71 PRO HB3 H 2.28 0.01 2 645 68 71 PRO HD2 H 3.63 0.01 2 646 68 71 PRO HD3 H 3.83 0.01 2 647 68 71 PRO HG2 H 2.01 0.01 2 648 68 71 PRO HG3 H 2.27 0.01 2 649 68 71 PRO CA C 63.1 0.1 1 650 68 71 PRO CB C 32.1 0.1 1 651 68 71 PRO CD C 51.0 0.1 1 652 68 71 PRO CG C 28.1 0.1 1 653 69 72 GLN H H 8.27 0.01 1 654 69 72 GLN HA H 4.29 0.01 1 655 69 72 GLN HB2 H 1.97 0.01 2 656 69 72 GLN HB3 H 1.97 0.01 2 657 69 72 GLN HE21 H 6.74 0.01 2 658 69 72 GLN HE22 H 7.44 0.01 2 659 69 72 GLN HG2 H 2.38 0.01 2 660 69 72 GLN HG3 H 2.38 0.01 2 661 69 72 GLN CA C 55.8 0.1 1 662 69 72 GLN CB C 29.9 0.1 1 663 69 72 GLN N N 117.0 0.1 1 664 69 72 GLN NE2 N 108.9 0.1 1 665 70 73 GLU H H 8.31 0.01 1 666 70 73 GLU HA H 4.32 0.01 1 667 70 73 GLU HB2 H 1.95 0.01 2 668 70 73 GLU HB3 H 1.95 0.01 2 669 70 73 GLU HG2 H 2.26 0.01 2 670 70 73 GLU HG3 H 2.26 0.01 2 671 70 73 GLU CA C 56.4 0.1 1 672 70 73 GLU CB C 30.6 0.1 1 673 70 73 GLU N N 118.5 0.1 1 674 71 74 ILE H H 8.04 0.01 1 675 71 74 ILE HA H 4.17 0.01 1 676 71 74 ILE HB H 1.86 0.01 1 677 71 74 ILE HD1 H 0.83 0.01 1 678 71 74 ILE HG12 H 1.17 0.01 2 679 71 74 ILE HG13 H 1.46 0.01 2 680 71 74 ILE HG2 H 0.89 0.01 1 681 71 74 ILE CA C 61.1 0.1 1 682 71 74 ILE CB C 38.7 0.1 1 683 71 74 ILE CD1 C 13.4 0.1 1 684 71 74 ILE CG1 C 27.6 0.1 1 685 71 74 ILE CG2 C 18.0 0.1 1 686 71 74 ILE N N 119.6 0.1 1 687 72 75 LYS H H 7.77 0.01 1 688 72 75 LYS HA H 4.19 0.01 1 689 72 75 LYS HB2 H 1.75 0.01 2 690 72 75 LYS HB3 H 1.85 0.01 2 691 72 75 LYS HD2 H 1.71 0.01 2 692 72 75 LYS HD3 H 1.71 0.01 2 693 72 75 LYS HE2 H 3.02 0.01 2 694 72 75 LYS HE3 H 3.02 0.01 2 695 72 75 LYS HG2 H 1.40 0.01 2 696 72 75 LYS HG3 H 1.40 0.01 2 697 72 75 LYS CA C 57.5 0.1 1 698 72 75 LYS CB C 34.1 0.1 1 699 72 75 LYS CD C 29.6 0.1 1 700 72 75 LYS CE C 42.6 0.1 1 701 72 75 LYS CG C 25.1 0.1 1 702 72 75 LYS N N 127.6 0.1 1 stop_ save_