data_10193 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the Myb-like DNA-binding domain of human ZZZ3 protein ; _BMRB_accession_number 10193 _BMRB_flat_file_name bmr10193.str _Entry_type new _Submission_date 2008-02-19 _Accession_date 2008-02-19 _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 Abe H. . . 2 Tochio N. . . 3 Miyamoto K. . . 4 Saito K. . . 5 Koshiba S. . . 6 Inoue M. . . 7 Kigawa T. . . 8 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 423 "13C chemical shifts" 303 "15N chemical shifts" 70 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-27 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the Myb-like DNA-binding domain of human ZZZ3 protein' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Abe H. . . 2 Tochio N. . . 3 Miyamoto K. . . 4 Saito K. . . 5 Koshiba S. . . 6 Inoue M. . . 7 Kigawa T. . . 8 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Zinc finger ZZ-type-containing protein 3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Myb-like DNA-binding domain, UNP residues 652-713' $entity_1 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Myb-like DNA-binding domain, UNP residues 652-713' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 75 _Mol_residue_sequence ; GSSGSSGNQLWTVEEQKKLE QLLIKYPPEEVESRRWQKIA DELGNRTAKQVASQVQKYFI KLTKAGIPVSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASN 9 GLN 10 LEU 11 TRP 12 THR 13 VAL 14 GLU 15 GLU 16 GLN 17 LYS 18 LYS 19 LEU 20 GLU 21 GLN 22 LEU 23 LEU 24 ILE 25 LYS 26 TYR 27 PRO 28 PRO 29 GLU 30 GLU 31 VAL 32 GLU 33 SER 34 ARG 35 ARG 36 TRP 37 GLN 38 LYS 39 ILE 40 ALA 41 ASP 42 GLU 43 LEU 44 GLY 45 ASN 46 ARG 47 THR 48 ALA 49 LYS 50 GLN 51 VAL 52 ALA 53 SER 54 GLN 55 VAL 56 GLN 57 LYS 58 TYR 59 PHE 60 ILE 61 LYS 62 LEU 63 THR 64 LYS 65 ALA 66 GLY 67 ILE 68 PRO 69 VAL 70 SER 71 GLY 72 PRO 73 SER 74 SER 75 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 2YUM "Solution Structure Of The Myb-Like Dna-Binding Domain Of Human Zzz3 Protein" 100.00 75 100.00 100.00 9.99e-45 GB AAH35079 "ZZZ3 protein [Homo sapiens]" 85.33 409 98.44 98.44 5.10e-34 GB ADZ15730 "zinc finger, ZZ-type containing 3 [synthetic construct]" 85.33 409 98.44 98.44 5.10e-34 GB AIC62127 "ZZZ3, partial [synthetic construct]" 85.33 409 98.44 98.44 4.95e-34 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P050613-19 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 $entity_1 1.14 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMNMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.9747 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guentert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Myb-like DNA-binding domain, UNP residues 652-713' _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 9 9 GLN CA C 56.082 0.300 1 2 9 9 GLN HA H 4.326 0.030 1 3 9 9 GLN CB C 29.035 0.300 1 4 9 9 GLN HB2 H 1.976 0.030 2 5 9 9 GLN HB3 H 2.125 0.030 2 6 9 9 GLN CG C 33.646 0.300 1 7 9 9 GLN HG2 H 2.406 0.030 2 8 9 9 GLN HG3 H 2.349 0.030 2 9 9 9 GLN C C 176.519 0.300 1 10 10 10 LEU N N 124.239 0.300 1 11 10 10 LEU H H 8.287 0.030 1 12 10 10 LEU CA C 55.553 0.300 1 13 10 10 LEU HA H 4.390 0.030 1 14 10 10 LEU CB C 42.168 0.300 1 15 10 10 LEU HB2 H 1.662 0.030 2 16 10 10 LEU HB3 H 1.592 0.030 2 17 10 10 LEU CG C 26.976 0.300 1 18 10 10 LEU HG H 1.660 0.030 1 19 10 10 LEU CD1 C 24.866 0.300 2 20 10 10 LEU HD1 H 0.928 0.030 1 21 10 10 LEU CD2 C 23.748 0.300 2 22 10 10 LEU HD2 H 0.908 0.030 1 23 10 10 LEU C C 177.357 0.300 1 24 11 11 TRP N N 124.940 0.300 1 25 11 11 TRP H H 8.879 0.030 1 26 11 11 TRP CA C 56.849 0.300 1 27 11 11 TRP HA H 4.668 0.030 1 28 11 11 TRP CB C 28.603 0.300 1 29 11 11 TRP HB2 H 3.092 0.030 2 30 11 11 TRP HB3 H 2.971 0.030 2 31 11 11 TRP CD1 C 126.903 0.300 1 32 11 11 TRP HD1 H 7.243 0.030 1 33 11 11 TRP NE1 N 130.305 0.300 1 34 11 11 TRP HE1 H 10.122 0.030 1 35 11 11 TRP CE3 C 120.178 0.300 1 36 11 11 TRP HE3 H 7.191 0.030 1 37 11 11 TRP CZ2 C 112.535 0.300 1 38 11 11 TRP HZ2 H 6.916 0.030 1 39 11 11 TRP CZ3 C 121.491 0.300 1 40 11 11 TRP HZ3 H 6.866 0.030 1 41 11 11 TRP CH2 C 122.291 0.300 1 42 11 11 TRP HH2 H 6.705 0.030 1 43 11 11 TRP C C 177.416 0.300 1 44 12 12 THR N N 115.857 0.300 1 45 12 12 THR H H 8.760 0.030 1 46 12 12 THR CA C 60.885 0.300 1 47 12 12 THR HA H 4.509 0.030 1 48 12 12 THR CB C 71.142 0.300 1 49 12 12 THR HB H 4.838 0.030 1 50 12 12 THR CG2 C 21.908 0.300 1 51 12 12 THR HG2 H 1.346 0.030 1 52 12 12 THR C C 175.828 0.300 1 53 13 13 VAL N N 121.033 0.300 1 54 13 13 VAL H H 8.782 0.030 1 55 13 13 VAL CA C 66.558 0.300 1 56 13 13 VAL HA H 3.784 0.030 1 57 13 13 VAL CB C 31.659 0.300 1 58 13 13 VAL HB H 2.098 0.030 1 59 13 13 VAL CG1 C 22.184 0.300 2 60 13 13 VAL HG1 H 1.118 0.030 1 61 13 13 VAL CG2 C 21.057 0.300 2 62 13 13 VAL HG2 H 1.007 0.030 1 63 13 13 VAL C C 178.595 0.300 1 64 14 14 GLU N N 119.290 0.300 1 65 14 14 GLU H H 8.586 0.030 1 66 14 14 GLU CA C 60.285 0.300 1 67 14 14 GLU HA H 4.024 0.030 1 68 14 14 GLU CB C 29.039 0.300 1 69 14 14 GLU HB2 H 2.084 0.030 2 70 14 14 GLU HB3 H 1.964 0.030 2 71 14 14 GLU CG C 36.901 0.300 1 72 14 14 GLU HG2 H 2.313 0.030 2 73 14 14 GLU HG3 H 2.400 0.030 2 74 14 14 GLU C C 179.736 0.300 1 75 15 15 GLU N N 121.533 0.300 1 76 15 15 GLU H H 7.934 0.030 1 77 15 15 GLU CA C 59.834 0.300 1 78 15 15 GLU HA H 3.990 0.030 1 79 15 15 GLU CB C 31.315 0.300 1 80 15 15 GLU HB2 H 2.357 0.030 2 81 15 15 GLU HB3 H 2.184 0.030 2 82 15 15 GLU CG C 37.818 0.300 1 83 15 15 GLU HG2 H 2.179 0.030 2 84 15 15 GLU HG3 H 2.400 0.030 2 85 15 15 GLU C C 178.886 0.300 1 86 16 16 GLN N N 119.475 0.300 1 87 16 16 GLN H H 8.595 0.030 1 88 16 16 GLN CA C 59.369 0.300 1 89 16 16 GLN HA H 4.104 0.030 1 90 16 16 GLN CB C 28.376 0.300 1 91 16 16 GLN HB2 H 2.163 0.030 2 92 16 16 GLN HB3 H 2.282 0.030 2 93 16 16 GLN CG C 33.614 0.300 1 94 16 16 GLN HG2 H 2.203 0.030 2 95 16 16 GLN HG3 H 2.463 0.030 2 96 16 16 GLN NE2 N 109.685 0.300 1 97 16 16 GLN HE21 H 7.407 0.030 2 98 16 16 GLN HE22 H 5.641 0.030 2 99 16 16 GLN C C 178.548 0.300 1 100 17 17 LYS N N 119.404 0.300 1 101 17 17 LYS H H 8.241 0.030 1 102 17 17 LYS CA C 59.175 0.300 1 103 17 17 LYS HA H 4.103 0.030 1 104 17 17 LYS CB C 31.980 0.300 1 105 17 17 LYS HB2 H 1.959 0.030 2 106 17 17 LYS HB3 H 1.928 0.030 2 107 17 17 LYS CG C 25.140 0.300 1 108 17 17 LYS HG2 H 1.506 0.030 2 109 17 17 LYS HG3 H 1.628 0.030 2 110 17 17 LYS CD C 28.943 0.300 1 111 17 17 LYS HD2 H 1.693 0.030 1 112 17 17 LYS HD3 H 1.693 0.030 1 113 17 17 LYS CE C 42.136 0.300 1 114 17 17 LYS HE2 H 2.939 0.030 1 115 17 17 LYS HE3 H 2.939 0.030 1 116 17 17 LYS C C 179.663 0.300 1 117 18 18 LYS N N 120.546 0.300 1 118 18 18 LYS H H 7.852 0.030 1 119 18 18 LYS CA C 59.432 0.300 1 120 18 18 LYS HA H 4.157 0.030 1 121 18 18 LYS CB C 32.166 0.300 1 122 18 18 LYS HB2 H 1.969 0.030 1 123 18 18 LYS HB3 H 1.969 0.030 1 124 18 18 LYS CG C 25.416 0.300 1 125 18 18 LYS HG2 H 1.491 0.030 2 126 18 18 LYS HG3 H 1.622 0.030 2 127 18 18 LYS CD C 29.434 0.300 1 128 18 18 LYS HD2 H 1.770 0.030 1 129 18 18 LYS HD3 H 1.770 0.030 1 130 18 18 LYS CE C 42.190 0.300 1 131 18 18 LYS HE2 H 2.965 0.030 1 132 18 18 LYS HE3 H 2.965 0.030 1 133 18 18 LYS C C 179.003 0.300 1 134 19 19 LEU N N 120.782 0.300 1 135 19 19 LEU H H 8.639 0.030 1 136 19 19 LEU CA C 58.729 0.300 1 137 19 19 LEU HA H 4.042 0.030 1 138 19 19 LEU CB C 41.465 0.300 1 139 19 19 LEU HB2 H 1.710 0.030 2 140 19 19 LEU HB3 H 2.292 0.030 2 141 19 19 LEU CG C 27.125 0.300 1 142 19 19 LEU HG H 1.338 0.030 1 143 19 19 LEU CD1 C 24.277 0.300 2 144 19 19 LEU HD1 H 0.924 0.030 1 145 19 19 LEU CD2 C 25.710 0.300 2 146 19 19 LEU HD2 H 0.547 0.030 1 147 19 19 LEU C C 177.410 0.300 1 148 20 20 GLU N N 116.982 0.300 1 149 20 20 GLU H H 7.981 0.030 1 150 20 20 GLU CA C 60.285 0.300 1 151 20 20 GLU HA H 3.647 0.030 1 152 20 20 GLU CB C 29.612 0.300 1 153 20 20 GLU HB2 H 2.152 0.030 2 154 20 20 GLU HB3 H 2.159 0.030 2 155 20 20 GLU CG C 36.592 0.300 1 156 20 20 GLU HG2 H 2.435 0.030 2 157 20 20 GLU HG3 H 2.022 0.030 2 158 20 20 GLU C C 179.066 0.300 1 159 21 21 GLN N N 115.877 0.300 1 160 21 21 GLN H H 7.518 0.030 1 161 21 21 GLN CA C 58.409 0.300 1 162 21 21 GLN HA H 4.112 0.030 1 163 21 21 GLN CB C 28.405 0.300 1 164 21 21 GLN HB2 H 2.350 0.030 2 165 21 21 GLN HB3 H 2.191 0.030 2 166 21 21 GLN CG C 33.921 0.300 1 167 21 21 GLN HG2 H 2.597 0.030 2 168 21 21 GLN HG3 H 2.477 0.030 2 169 21 21 GLN NE2 N 112.136 0.300 1 170 21 21 GLN HE21 H 7.532 0.030 2 171 21 21 GLN HE22 H 6.860 0.030 2 172 21 21 GLN C C 180.271 0.300 1 173 22 22 LEU N N 123.461 0.300 1 174 22 22 LEU H H 8.775 0.030 1 175 22 22 LEU CA C 57.782 0.300 1 176 22 22 LEU HA H 4.243 0.030 1 177 22 22 LEU CB C 42.687 0.300 1 178 22 22 LEU HB2 H 1.688 0.030 2 179 22 22 LEU HB3 H 2.256 0.030 2 180 22 22 LEU CG C 27.379 0.300 1 181 22 22 LEU HG H 2.089 0.030 1 182 22 22 LEU CD1 C 27.759 0.300 2 183 22 22 LEU HD1 H 1.048 0.030 1 184 22 22 LEU CD2 C 24.108 0.300 2 185 22 22 LEU HD2 H 1.058 0.030 1 186 22 22 LEU C C 178.112 0.300 1 187 23 23 LEU N N 119.576 0.300 1 188 23 23 LEU H H 8.260 0.030 1 189 23 23 LEU CA C 57.281 0.300 1 190 23 23 LEU HA H 4.174 0.030 1 191 23 23 LEU CB C 42.175 0.300 1 192 23 23 LEU HB2 H 1.432 0.030 2 193 23 23 LEU HB3 H 1.962 0.030 2 194 23 23 LEU CG C 26.842 0.300 1 195 23 23 LEU HG H 1.845 0.030 1 196 23 23 LEU CD1 C 26.712 0.300 2 197 23 23 LEU HD1 H 0.718 0.030 1 198 23 23 LEU CD2 C 23.496 0.300 2 199 23 23 LEU HD2 H 1.013 0.030 1 200 23 23 LEU C C 177.927 0.300 1 201 24 24 ILE N N 116.614 0.300 1 202 24 24 ILE H H 6.949 0.030 1 203 24 24 ILE CA C 62.755 0.300 1 204 24 24 ILE HA H 3.787 0.030 1 205 24 24 ILE CB C 38.208 0.300 1 206 24 24 ILE HB H 1.981 0.030 1 207 24 24 ILE CG1 C 28.292 0.300 1 208 24 24 ILE HG12 H 1.707 0.030 2 209 24 24 ILE HG13 H 1.180 0.030 2 210 24 24 ILE CG2 C 17.343 0.300 1 211 24 24 ILE HG2 H 0.889 0.030 1 212 24 24 ILE CD1 C 12.751 0.300 1 213 24 24 ILE HD1 H 0.877 0.030 1 214 24 24 ILE C C 177.066 0.300 1 215 25 25 LYS N N 121.060 0.300 1 216 25 25 LYS H H 7.421 0.030 1 217 25 25 LYS CA C 59.281 0.300 1 218 25 25 LYS HA H 3.726 0.030 1 219 25 25 LYS CB C 34.011 0.300 1 220 25 25 LYS HB2 H 1.689 0.030 2 221 25 25 LYS HB3 H 1.580 0.030 2 222 25 25 LYS CG C 24.951 0.300 1 223 25 25 LYS HG2 H 1.037 0.030 2 224 25 25 LYS HG3 H 0.183 0.030 2 225 25 25 LYS CD C 30.311 0.300 1 226 25 25 LYS HD2 H 1.379 0.030 2 227 25 25 LYS HD3 H 1.489 0.030 2 228 25 25 LYS CE C 42.195 0.300 1 229 25 25 LYS HE2 H 2.721 0.030 2 230 25 25 LYS HE3 H 2.789 0.030 2 231 25 25 LYS C C 175.900 0.300 1 232 26 26 TYR N N 117.015 0.300 1 233 26 26 TYR H H 8.124 0.030 1 234 26 26 TYR CA C 54.995 0.300 1 235 26 26 TYR HA H 4.988 0.030 1 236 26 26 TYR CB C 37.055 0.300 1 237 26 26 TYR HB2 H 2.974 0.030 2 238 26 26 TYR HB3 H 3.132 0.030 2 239 26 26 TYR CD1 C 133.777 0.300 1 240 26 26 TYR HD1 H 7.296 0.030 1 241 26 26 TYR CD2 C 133.777 0.300 1 242 26 26 TYR HD2 H 7.296 0.030 1 243 26 26 TYR CE1 C 117.361 0.300 1 244 26 26 TYR HE1 H 6.819 0.030 1 245 26 26 TYR CE2 C 117.361 0.300 1 246 26 26 TYR HE2 H 6.819 0.030 1 247 27 27 PRO CA C 62.102 0.300 1 248 27 27 PRO HA H 4.833 0.030 1 249 27 27 PRO CB C 30.960 0.300 1 250 27 27 PRO HB2 H 2.041 0.030 2 251 27 27 PRO HB3 H 2.424 0.030 2 252 27 27 PRO CG C 26.588 0.300 1 253 27 27 PRO HG2 H 1.967 0.030 2 254 27 27 PRO HG3 H 1.863 0.030 2 255 27 27 PRO CD C 51.220 0.300 1 256 27 27 PRO HD2 H 3.838 0.030 2 257 27 27 PRO HD3 H 3.700 0.030 2 258 28 28 PRO CA C 64.218 0.300 1 259 28 28 PRO HA H 4.127 0.030 1 260 28 28 PRO CB C 31.726 0.300 1 261 28 28 PRO HB2 H 1.703 0.030 2 262 28 28 PRO HB3 H 2.288 0.030 2 263 28 28 PRO CG C 28.267 0.300 1 264 28 28 PRO HG2 H 1.891 0.030 2 265 28 28 PRO HG3 H 2.101 0.030 2 266 28 28 PRO CD C 50.724 0.300 1 267 28 28 PRO HD2 H 3.538 0.030 2 268 28 28 PRO HD3 H 3.809 0.030 2 269 28 28 PRO C C 175.552 0.300 1 270 29 29 GLU N N 120.378 0.300 1 271 29 29 GLU H H 8.473 0.030 1 272 29 29 GLU CA C 54.425 0.300 1 273 29 29 GLU HA H 4.734 0.030 1 274 29 29 GLU CB C 33.430 0.300 1 275 29 29 GLU HB2 H 2.070 0.030 2 276 29 29 GLU HB3 H 1.954 0.030 2 277 29 29 GLU CG C 35.888 0.300 1 278 29 29 GLU HG2 H 1.949 0.030 2 279 29 29 GLU HG3 H 1.885 0.030 2 280 29 29 GLU C C 175.244 0.300 1 281 30 30 GLU N N 120.351 0.300 1 282 30 30 GLU H H 8.502 0.030 1 283 30 30 GLU CA C 60.066 0.300 1 284 30 30 GLU HA H 3.898 0.030 1 285 30 30 GLU CB C 30.038 0.300 1 286 30 30 GLU HB2 H 2.059 0.030 2 287 30 30 GLU HB3 H 1.973 0.030 2 288 30 30 GLU CG C 36.318 0.300 1 289 30 30 GLU HG2 H 2.322 0.030 2 290 30 30 GLU HG3 H 2.257 0.030 2 291 30 30 GLU C C 177.211 0.300 1 292 31 31 VAL N N 119.224 0.300 1 293 31 31 VAL H H 8.363 0.030 1 294 31 31 VAL CA C 61.327 0.300 1 295 31 31 VAL HA H 4.154 0.030 1 296 31 31 VAL CB C 30.937 0.300 1 297 31 31 VAL HB H 2.019 0.030 1 298 31 31 VAL CG1 C 21.786 0.300 2 299 31 31 VAL HG1 H 0.965 0.030 1 300 31 31 VAL CG2 C 20.530 0.300 2 301 31 31 VAL HG2 H 0.887 0.030 1 302 31 31 VAL C C 176.298 0.300 1 303 32 32 GLU N N 128.219 0.300 1 304 32 32 GLU H H 8.453 0.030 1 305 32 32 GLU CA C 59.610 0.300 1 306 32 32 GLU HA H 3.729 0.030 1 307 32 32 GLU CB C 29.649 0.300 1 308 32 32 GLU HB2 H 1.870 0.030 2 309 32 32 GLU HB3 H 1.830 0.030 2 310 32 32 GLU CG C 36.690 0.300 1 311 32 32 GLU HG2 H 2.024 0.030 2 312 32 32 GLU C C 177.405 0.300 1 313 33 33 SER N N 111.772 0.300 1 314 33 33 SER H H 8.368 0.030 1 315 33 33 SER CA C 61.378 0.300 1 316 33 33 SER HA H 4.087 0.030 1 317 33 33 SER CB C 61.842 0.300 1 318 33 33 SER HB2 H 3.968 0.030 1 319 33 33 SER HB3 H 3.968 0.030 1 320 33 33 SER C C 177.086 0.300 1 321 34 34 ARG N N 121.109 0.300 1 322 34 34 ARG H H 7.445 0.030 1 323 34 34 ARG CA C 58.682 0.300 1 324 34 34 ARG HA H 4.067 0.030 1 325 34 34 ARG CB C 30.095 0.300 1 326 34 34 ARG HB2 H 1.913 0.030 2 327 34 34 ARG HB3 H 1.761 0.030 2 328 34 34 ARG CG C 27.713 0.300 1 329 34 34 ARG HG2 H 1.621 0.030 1 330 34 34 ARG HG3 H 1.621 0.030 1 331 34 34 ARG CD C 43.388 0.300 1 332 34 34 ARG HD2 H 3.254 0.030 2 333 34 34 ARG HD3 H 3.222 0.030 2 334 34 34 ARG C C 178.697 0.300 1 335 35 35 ARG N N 122.297 0.300 1 336 35 35 ARG H H 6.826 0.030 1 337 35 35 ARG CA C 59.479 0.300 1 338 35 35 ARG HA H 3.718 0.030 1 339 35 35 ARG CB C 30.578 0.300 1 340 35 35 ARG HB2 H 1.257 0.030 2 341 35 35 ARG HB3 H 1.487 0.030 2 342 35 35 ARG CG C 26.112 0.300 1 343 35 35 ARG HG2 H 1.496 0.030 2 344 35 35 ARG HG3 H 1.244 0.030 2 345 35 35 ARG CD C 44.114 0.300 1 346 35 35 ARG HD2 H 2.699 0.030 2 347 35 35 ARG HD3 H 2.282 0.030 2 348 35 35 ARG NE N 86.067 0.300 1 349 35 35 ARG HE H 7.897 0.030 1 350 35 35 ARG C C 178.318 0.300 1 351 36 36 TRP N N 115.557 0.300 1 352 36 36 TRP H H 7.702 0.030 1 353 36 36 TRP CA C 58.127 0.300 1 354 36 36 TRP HA H 4.929 0.030 1 355 36 36 TRP CB C 30.618 0.300 1 356 36 36 TRP HB2 H 3.279 0.030 2 357 36 36 TRP HB3 H 3.689 0.030 2 358 36 36 TRP CD1 C 128.755 0.300 1 359 36 36 TRP HD1 H 7.203 0.030 1 360 36 36 TRP NE1 N 130.791 0.300 1 361 36 36 TRP HE1 H 10.499 0.030 1 362 36 36 TRP CE3 C 120.431 0.300 1 363 36 36 TRP HE3 H 7.268 0.030 1 364 36 36 TRP CZ2 C 115.122 0.300 1 365 36 36 TRP HZ2 H 7.531 0.030 1 366 36 36 TRP CZ3 C 120.674 0.300 1 367 36 36 TRP HZ3 H 6.722 0.030 1 368 36 36 TRP CH2 C 124.316 0.300 1 369 36 36 TRP HH2 H 7.140 0.030 1 370 36 36 TRP C C 178.742 0.300 1 371 37 37 GLN N N 117.116 0.300 1 372 37 37 GLN H H 7.923 0.030 1 373 37 37 GLN CA C 58.501 0.300 1 374 37 37 GLN HA H 3.950 0.030 1 375 37 37 GLN CB C 28.719 0.300 1 376 37 37 GLN HB2 H 2.263 0.030 2 377 37 37 GLN HB3 H 2.160 0.030 2 378 37 37 GLN CG C 33.532 0.300 1 379 37 37 GLN HG2 H 2.413 0.030 1 380 37 37 GLN HG3 H 2.413 0.030 1 381 37 37 GLN NE2 N 116.913 0.300 1 382 37 37 GLN HE21 H 7.970 0.030 2 383 37 37 GLN HE22 H 6.922 0.030 2 384 37 37 GLN C C 177.079 0.300 1 385 38 38 LYS N N 119.256 0.300 1 386 38 38 LYS H H 7.543 0.030 1 387 38 38 LYS CA C 59.855 0.300 1 388 38 38 LYS HA H 3.875 0.030 1 389 38 38 LYS CB C 31.717 0.300 1 390 38 38 LYS HB2 H 0.721 0.030 2 391 38 38 LYS HB3 H 1.329 0.030 2 392 38 38 LYS CG C 25.995 0.300 1 393 38 38 LYS HG2 H 1.509 0.030 2 394 38 38 LYS HG3 H 1.327 0.030 2 395 38 38 LYS CD C 30.116 0.300 1 396 38 38 LYS HD2 H 1.729 0.030 2 397 38 38 LYS HD3 H 1.492 0.030 2 398 38 38 LYS CE C 42.100 0.300 1 399 38 38 LYS HE2 H 2.757 0.030 2 400 38 38 LYS HE3 H 2.884 0.030 2 401 38 38 LYS C C 179.773 0.300 1 402 39 39 ILE N N 117.818 0.300 1 403 39 39 ILE H H 7.614 0.030 1 404 39 39 ILE CA C 66.296 0.300 1 405 39 39 ILE HA H 3.534 0.030 1 406 39 39 ILE CB C 38.526 0.300 1 407 39 39 ILE HB H 2.007 0.030 1 408 39 39 ILE CG1 C 30.825 0.300 1 409 39 39 ILE HG12 H 2.065 0.030 2 410 39 39 ILE HG13 H 1.075 0.030 2 411 39 39 ILE CG2 C 18.043 0.300 1 412 39 39 ILE HG2 H 0.998 0.030 1 413 39 39 ILE CD1 C 14.591 0.300 1 414 39 39 ILE HD1 H 1.074 0.030 1 415 39 39 ILE C C 177.376 0.300 1 416 40 40 ALA N N 122.394 0.300 1 417 40 40 ALA H H 8.680 0.030 1 418 40 40 ALA CA C 56.117 0.300 1 419 40 40 ALA HA H 3.732 0.030 1 420 40 40 ALA CB C 17.581 0.300 1 421 40 40 ALA HB H 1.425 0.030 1 422 40 40 ALA C C 180.101 0.300 1 423 41 41 ASP N N 117.487 0.300 1 424 41 41 ASP H H 8.516 0.030 1 425 41 41 ASP CA C 57.069 0.300 1 426 41 41 ASP HA H 4.425 0.030 1 427 41 41 ASP CB C 40.176 0.300 1 428 41 41 ASP HB2 H 2.798 0.030 2 429 41 41 ASP HB3 H 2.659 0.030 2 430 41 41 ASP C C 178.731 0.300 1 431 42 42 GLU N N 118.631 0.300 1 432 42 42 GLU H H 7.391 0.030 1 433 42 42 GLU CA C 59.678 0.300 1 434 42 42 GLU HA H 4.246 0.030 1 435 42 42 GLU CB C 29.612 0.300 1 436 42 42 GLU HB2 H 2.298 0.030 1 437 42 42 GLU HB3 H 2.298 0.030 1 438 42 42 GLU CG C 36.974 0.300 1 439 42 42 GLU HG2 H 2.622 0.030 2 440 42 42 GLU HG3 H 2.331 0.030 2 441 42 42 GLU C C 178.559 0.300 1 442 43 43 LEU N N 120.834 0.300 1 443 43 43 LEU H H 8.247 0.030 1 444 43 43 LEU CA C 57.274 0.300 1 445 43 43 LEU HA H 4.171 0.030 1 446 43 43 LEU CB C 42.237 0.300 1 447 43 43 LEU HB2 H 1.652 0.030 2 448 43 43 LEU HB3 H 1.847 0.030 2 449 43 43 LEU CG C 26.669 0.300 1 450 43 43 LEU HG H 1.845 0.030 1 451 43 43 LEU CD1 C 27.429 0.300 2 452 43 43 LEU HD1 H 0.963 0.030 1 453 43 43 LEU CD2 C 23.705 0.300 2 454 43 43 LEU HD2 H 0.941 0.030 1 455 43 43 LEU C C 179.282 0.300 1 456 44 44 GLY N N 106.089 0.300 1 457 44 44 GLY H H 8.218 0.030 1 458 44 44 GLY CA C 46.203 0.300 1 459 44 44 GLY HA2 H 3.738 0.030 2 460 44 44 GLY HA3 H 4.181 0.030 2 461 44 44 GLY C C 174.363 0.300 1 462 45 45 ASN N N 117.303 0.300 1 463 45 45 ASN H H 8.060 0.030 1 464 45 45 ASN CA C 52.872 0.300 1 465 45 45 ASN HA H 4.637 0.030 1 466 45 45 ASN CB C 38.017 0.300 1 467 45 45 ASN HB2 H 2.902 0.030 2 468 45 45 ASN HB3 H 2.723 0.030 2 469 45 45 ASN ND2 N 111.376 0.300 1 470 45 45 ASN HD21 H 7.401 0.030 2 471 45 45 ASN HD22 H 6.690 0.030 2 472 45 45 ASN C C 174.403 0.300 1 473 46 46 ARG N N 115.501 0.300 1 474 46 46 ARG H H 7.091 0.030 1 475 46 46 ARG CA C 52.521 0.300 1 476 46 46 ARG HA H 4.948 0.030 1 477 46 46 ARG CB C 35.298 0.300 1 478 46 46 ARG HB2 H 1.685 0.030 2 479 46 46 ARG HB3 H 1.524 0.030 2 480 46 46 ARG CG C 24.937 0.300 1 481 46 46 ARG HG2 H 1.341 0.030 2 482 46 46 ARG HG3 H 1.036 0.030 2 483 46 46 ARG CD C 43.008 0.300 1 484 46 46 ARG HD2 H 2.250 0.030 2 485 46 46 ARG HD3 H 3.050 0.030 2 486 46 46 ARG NE N 83.827 0.300 1 487 46 46 ARG HE H 6.673 0.030 1 488 46 46 ARG C C 175.373 0.300 1 489 47 47 THR N N 110.043 0.300 1 490 47 47 THR H H 8.411 0.030 1 491 47 47 THR CA C 59.643 0.300 1 492 47 47 THR HA H 4.602 0.030 1 493 47 47 THR CB C 71.307 0.300 1 494 47 47 THR HB H 4.775 0.030 1 495 47 47 THR CG2 C 21.641 0.300 1 496 47 47 THR HG2 H 1.259 0.030 1 497 47 47 THR C C 175.891 0.300 1 498 48 48 ALA N N 123.448 0.300 1 499 48 48 ALA H H 9.205 0.030 1 500 48 48 ALA CA C 55.820 0.300 1 501 48 48 ALA HA H 3.869 0.030 1 502 48 48 ALA CB C 17.997 0.300 1 503 48 48 ALA HB H 1.467 0.030 1 504 48 48 ALA C C 179.731 0.300 1 505 49 49 LYS N N 117.235 0.300 1 506 49 49 LYS H H 8.127 0.030 1 507 49 49 LYS CA C 59.436 0.300 1 508 49 49 LYS HA H 4.008 0.030 1 509 49 49 LYS CB C 32.661 0.300 1 510 49 49 LYS HB2 H 1.839 0.030 2 511 49 49 LYS HB3 H 1.791 0.030 2 512 49 49 LYS CG C 25.357 0.300 1 513 49 49 LYS HG2 H 1.442 0.030 2 514 49 49 LYS HG3 H 1.558 0.030 2 515 49 49 LYS CD C 29.246 0.300 1 516 49 49 LYS HD2 H 1.698 0.030 1 517 49 49 LYS HD3 H 1.698 0.030 1 518 49 49 LYS CE C 42.136 0.300 1 519 49 49 LYS HE2 H 3.010 0.030 1 520 49 49 LYS HE3 H 3.010 0.030 1 521 49 49 LYS C C 179.567 0.300 1 522 50 50 GLN N N 119.324 0.300 1 523 50 50 GLN H H 7.753 0.030 1 524 50 50 GLN CA C 58.938 0.300 1 525 50 50 GLN HA H 4.191 0.030 1 526 50 50 GLN CB C 29.389 0.300 1 527 50 50 GLN HB2 H 2.197 0.030 2 528 50 50 GLN HB3 H 2.602 0.030 2 529 50 50 GLN CG C 35.055 0.300 1 530 50 50 GLN HG2 H 2.588 0.030 1 531 50 50 GLN HG3 H 2.588 0.030 1 532 50 50 GLN NE2 N 111.392 0.300 1 533 50 50 GLN HE21 H 7.562 0.030 2 534 50 50 GLN HE22 H 7.099 0.030 2 535 50 50 GLN C C 180.097 0.300 1 536 51 51 VAL N N 120.881 0.300 1 537 51 51 VAL H H 8.397 0.030 1 538 51 51 VAL CA C 67.510 0.300 1 539 51 51 VAL HA H 3.491 0.030 1 540 51 51 VAL CB C 31.871 0.300 1 541 51 51 VAL HB H 2.358 0.030 1 542 51 51 VAL CG1 C 21.834 0.300 2 543 51 51 VAL HG1 H 0.940 0.030 1 544 51 51 VAL CG2 C 23.989 0.300 2 545 51 51 VAL HG2 H 1.113 0.030 1 546 51 51 VAL C C 176.150 0.300 1 547 52 52 ALA N N 120.695 0.300 1 548 52 52 ALA H H 8.057 0.030 1 549 52 52 ALA CA C 55.307 0.300 1 550 52 52 ALA HA H 2.379 0.030 1 551 52 52 ALA CB C 17.410 0.300 1 552 52 52 ALA HB H 0.895 0.030 1 553 52 52 ALA C C 180.088 0.300 1 554 53 53 SER N N 110.953 0.300 1 555 53 53 SER H H 7.653 0.030 1 556 53 53 SER CA C 61.291 0.300 1 557 53 53 SER HA H 4.049 0.030 1 558 53 53 SER CB C 63.032 0.300 1 559 53 53 SER HB2 H 3.901 0.030 2 560 53 53 SER C C 180.076 0.300 1 561 54 54 GLN N N 123.306 0.300 1 562 54 54 GLN H H 7.615 0.030 1 563 54 54 GLN CA C 57.843 0.300 1 564 54 54 GLN HA H 3.844 0.030 1 565 54 54 GLN CB C 27.422 0.300 1 566 54 54 GLN HB2 H 1.382 0.030 2 567 54 54 GLN HB3 H 1.201 0.030 2 568 54 54 GLN CG C 30.022 0.300 1 569 54 54 GLN HG2 H 0.193 0.030 2 570 54 54 GLN HG3 H 1.233 0.030 2 571 54 54 GLN NE2 N 108.170 0.300 1 572 54 54 GLN HE21 H 6.739 0.030 2 573 54 54 GLN HE22 H 6.252 0.030 2 574 55 55 VAL N N 119.150 0.300 1 575 55 55 VAL H H 8.266 0.030 1 576 55 55 VAL CA C 66.491 0.300 1 577 55 55 VAL HA H 3.417 0.030 1 578 55 55 VAL CB C 31.306 0.300 1 579 55 55 VAL HB H 1.528 0.030 1 580 55 55 VAL CG1 C 21.809 0.300 2 581 55 55 VAL HG1 H 0.840 0.030 1 582 55 55 VAL CG2 C 24.356 0.300 2 583 55 55 VAL HG2 H 0.708 0.030 1 584 55 55 VAL C C 177.640 0.300 1 585 56 56 GLN N N 116.992 0.300 1 586 56 56 GLN H H 7.578 0.030 1 587 56 56 GLN CA C 58.616 0.300 1 588 56 56 GLN HA H 3.964 0.030 1 589 56 56 GLN CB C 28.115 0.300 1 590 56 56 GLN HB2 H 2.080 0.030 1 591 56 56 GLN HB3 H 2.080 0.030 1 592 56 56 GLN CG C 33.864 0.300 1 593 56 56 GLN HG2 H 2.378 0.030 2 594 56 56 GLN HG3 H 2.440 0.030 2 595 56 56 GLN NE2 N 111.328 0.300 1 596 56 56 GLN HE21 H 7.362 0.030 2 597 56 56 GLN HE22 H 6.848 0.030 2 598 56 56 GLN C C 177.976 0.300 1 599 57 57 LYS N N 117.073 0.300 1 600 57 57 LYS H H 7.378 0.030 1 601 57 57 LYS CA C 58.958 0.300 1 602 57 57 LYS HA H 3.897 0.030 1 603 57 57 LYS CB C 32.837 0.300 1 604 57 57 LYS HB2 H 1.620 0.030 2 605 57 57 LYS HB3 H 1.471 0.030 2 606 57 57 LYS CG C 25.099 0.300 1 607 57 57 LYS HG2 H 0.936 0.030 2 608 57 57 LYS HG3 H 1.268 0.030 2 609 57 57 LYS CD C 29.354 0.300 1 610 57 57 LYS HD2 H 1.463 0.030 1 611 57 57 LYS HD3 H 1.463 0.030 1 612 57 57 LYS CE C 42.180 0.300 1 613 57 57 LYS HE2 H 2.836 0.030 1 614 57 57 LYS HE3 H 2.836 0.030 1 615 57 57 LYS C C 178.237 0.300 1 616 58 58 TYR N N 117.398 0.300 1 617 58 58 TYR H H 7.722 0.030 1 618 58 58 TYR CA C 59.231 0.300 1 619 58 58 TYR HA H 4.422 0.030 1 620 58 58 TYR CB C 38.850 0.300 1 621 58 58 TYR HB2 H 2.634 0.030 2 622 58 58 TYR HB3 H 2.837 0.030 2 623 58 58 TYR CD1 C 132.852 0.300 1 624 58 58 TYR HD1 H 6.854 0.030 1 625 58 58 TYR CD2 C 132.852 0.300 1 626 58 58 TYR HD2 H 6.854 0.030 1 627 58 58 TYR CE1 C 118.076 0.300 1 628 58 58 TYR HE1 H 6.637 0.030 1 629 58 58 TYR CE2 C 118.076 0.300 1 630 58 58 TYR HE2 H 6.637 0.030 1 631 58 58 TYR C C 176.329 0.300 1 632 59 59 PHE N N 118.720 0.300 1 633 59 59 PHE H H 8.197 0.030 1 634 59 59 PHE CA C 59.396 0.300 1 635 59 59 PHE HA H 4.487 0.030 1 636 59 59 PHE CB C 39.309 0.300 1 637 59 59 PHE HB2 H 3.258 0.030 2 638 59 59 PHE HB3 H 3.097 0.030 2 639 59 59 PHE CD1 C 131.506 0.300 1 640 59 59 PHE HD1 H 7.232 0.030 1 641 59 59 PHE CD2 C 131.506 0.300 1 642 59 59 PHE HD2 H 7.232 0.030 1 643 59 59 PHE CE1 C 131.431 0.300 1 644 59 59 PHE HE1 H 7.323 0.030 1 645 59 59 PHE CE2 C 131.431 0.300 1 646 59 59 PHE HE2 H 7.323 0.030 1 647 59 59 PHE CZ C 129.777 0.300 1 648 59 59 PHE HZ H 7.318 0.030 1 649 59 59 PHE C C 177.355 0.300 1 650 60 60 ILE N N 120.989 0.300 1 651 60 60 ILE H H 7.940 0.030 1 652 60 60 ILE CA C 63.239 0.300 1 653 60 60 ILE HA H 3.937 0.030 1 654 60 60 ILE CB C 38.017 0.300 1 655 60 60 ILE HB H 1.933 0.030 1 656 60 60 ILE CG1 C 28.404 0.300 1 657 60 60 ILE HG12 H 1.589 0.030 2 658 60 60 ILE HG13 H 1.244 0.030 2 659 60 60 ILE CG2 C 17.401 0.300 1 660 60 60 ILE HG2 H 0.902 0.030 1 661 60 60 ILE CD1 C 12.833 0.300 1 662 60 60 ILE HD1 H 0.879 0.030 1 663 60 60 ILE C C 177.197 0.300 1 664 61 61 LYS N N 122.558 0.300 1 665 61 61 LYS H H 8.056 0.030 1 666 61 61 LYS CA C 57.840 0.300 1 667 61 61 LYS HA H 4.158 0.030 1 668 61 61 LYS CB C 32.480 0.300 1 669 61 61 LYS HB2 H 1.893 0.030 2 670 61 61 LYS HB3 H 1.860 0.030 2 671 61 61 LYS CG C 25.037 0.300 1 672 61 61 LYS HG2 H 1.378 0.030 1 673 61 61 LYS HG3 H 1.378 0.030 1 674 61 61 LYS CD C 29.201 0.300 1 675 61 61 LYS HD2 H 1.670 0.030 2 676 61 61 LYS HD3 H 1.694 0.030 2 677 61 61 LYS CE C 42.175 0.300 1 678 61 61 LYS HE2 H 2.963 0.030 1 679 61 61 LYS HE3 H 2.963 0.030 1 680 61 61 LYS C C 177.737 0.300 1 681 62 62 LEU N N 120.763 0.300 1 682 62 62 LEU H H 8.145 0.030 1 683 62 62 LEU CA C 55.989 0.300 1 684 62 62 LEU HA H 4.302 0.030 1 685 62 62 LEU CB C 42.379 0.300 1 686 62 62 LEU HB2 H 1.696 0.030 2 687 62 62 LEU HB3 H 1.507 0.030 2 688 62 62 LEU CG C 26.947 0.300 1 689 62 62 LEU HG H 1.577 0.030 1 690 62 62 LEU CD1 C 25.441 0.300 2 691 62 62 LEU HD1 H 0.788 0.030 1 692 62 62 LEU CD2 C 23.204 0.300 2 693 62 62 LEU HD2 H 0.783 0.030 1 694 62 62 LEU C C 178.178 0.300 1 695 63 63 THR N N 113.377 0.300 1 696 63 63 THR H H 8.043 0.030 1 697 63 63 THR CA C 63.007 0.300 1 698 63 63 THR HA H 4.285 0.030 1 699 63 63 THR CB C 70.153 0.300 1 700 63 63 THR HB H 4.297 0.030 1 701 63 63 THR CG2 C 21.709 0.300 1 702 63 63 THR HG2 H 1.217 0.030 1 703 63 63 THR C C 175.775 0.300 1 704 64 64 LYS N N 122.961 0.300 1 705 64 64 LYS H H 8.333 0.030 1 706 64 64 LYS CA C 57.298 0.300 1 707 64 64 LYS HA H 4.218 0.030 1 708 64 64 LYS CB C 32.578 0.300 1 709 64 64 LYS HB2 H 1.873 0.030 2 710 64 64 LYS HB3 H 1.832 0.030 2 711 64 64 LYS CG C 25.009 0.300 1 712 64 64 LYS HG2 H 1.498 0.030 2 713 64 64 LYS HG3 H 1.444 0.030 2 714 64 64 LYS CD C 29.025 0.300 1 715 64 64 LYS HD2 H 1.676 0.030 1 716 64 64 LYS HD3 H 1.676 0.030 1 717 64 64 LYS CE C 42.300 0.300 1 718 64 64 LYS HE2 H 2.969 0.030 1 719 64 64 LYS HE3 H 2.969 0.030 1 720 64 64 LYS C C 176.684 0.300 1 721 65 65 ALA N N 123.107 0.300 1 722 65 65 ALA H H 8.024 0.030 1 723 65 65 ALA CA C 52.597 0.300 1 724 65 65 ALA HA H 4.323 0.030 1 725 65 65 ALA CB C 19.229 0.300 1 726 65 65 ALA HB H 1.427 0.030 1 727 65 65 ALA C C 178.017 0.300 1 728 66 66 GLY N N 107.464 0.300 1 729 66 66 GLY H H 8.165 0.030 1 730 66 66 GLY CA C 45.223 0.300 1 731 66 66 GLY HA2 H 3.955 0.030 2 732 66 66 GLY HA3 H 3.888 0.030 2 733 66 66 GLY C C 173.809 0.300 1 734 67 67 ILE N N 121.784 0.300 1 735 67 67 ILE H H 7.825 0.030 1 736 67 67 ILE CA C 58.397 0.300 1 737 67 67 ILE HA H 4.457 0.030 1 738 67 67 ILE CB C 38.622 0.300 1 739 67 67 ILE HB H 1.854 0.030 1 740 67 67 ILE CG1 C 27.107 0.300 1 741 67 67 ILE HG12 H 1.481 0.030 2 742 67 67 ILE HG13 H 1.154 0.030 2 743 67 67 ILE CG2 C 17.241 0.300 1 744 67 67 ILE HG2 H 0.941 0.030 1 745 67 67 ILE CD1 C 12.654 0.300 1 746 67 67 ILE HD1 H 0.851 0.030 1 747 67 67 ILE C C 174.638 0.300 1 748 68 68 PRO CA C 63.157 0.300 1 749 68 68 PRO HA H 4.499 0.030 1 750 68 68 PRO CB C 31.946 0.300 1 751 68 68 PRO HB2 H 1.909 0.030 2 752 68 68 PRO HB3 H 2.259 0.030 2 753 68 68 PRO CG C 27.604 0.300 1 754 68 68 PRO HG2 H 2.063 0.030 2 755 68 68 PRO HG3 H 1.978 0.030 2 756 68 68 PRO CD C 51.069 0.300 1 757 68 68 PRO HD2 H 3.906 0.030 2 758 68 68 PRO HD3 H 3.649 0.030 2 759 68 68 PRO C C 176.866 0.300 1 760 69 69 VAL N N 120.953 0.300 1 761 69 69 VAL H H 8.269 0.030 1 762 69 69 VAL CA C 62.460 0.300 1 763 69 69 VAL HA H 4.112 0.030 1 764 69 69 VAL CB C 32.882 0.300 1 765 69 69 VAL HB H 2.061 0.030 1 766 69 69 VAL CG1 C 21.523 0.300 2 767 69 69 VAL HG1 H 0.929 0.030 1 768 69 69 VAL CG2 C 20.587 0.300 2 769 69 69 VAL HG2 H 0.922 0.030 1 770 69 69 VAL C C 176.217 0.300 1 771 70 70 SER N N 118.672 0.300 1 772 70 70 SER H H 8.321 0.030 1 773 70 70 SER CA C 58.127 0.300 1 774 70 70 SER HA H 4.536 0.030 1 775 70 70 SER CB C 64.051 0.300 1 776 70 70 SER HB2 H 3.871 0.030 1 777 70 70 SER HB3 H 3.871 0.030 1 778 70 70 SER C C 174.419 0.300 1 779 72 72 PRO CA C 63.221 0.300 1 780 72 72 PRO HA H 4.480 0.030 1 781 72 72 PRO CB C 32.287 0.300 1 782 72 72 PRO HB2 H 2.301 0.030 2 783 72 72 PRO HB3 H 1.985 0.030 2 784 72 72 PRO CG C 27.193 0.300 1 785 72 72 PRO HG2 H 2.016 0.030 1 786 72 72 PRO HG3 H 2.016 0.030 1 787 72 72 PRO CD C 49.803 0.300 1 788 72 72 PRO HD2 H 3.619 0.030 1 789 72 72 PRO HD3 H 3.619 0.030 1 790 73 73 SER N N 116.355 0.300 1 791 73 73 SER H H 8.521 0.030 1 792 73 73 SER CA C 58.407 0.300 1 793 73 73 SER HA H 4.580 0.030 1 794 73 73 SER CB C 63.942 0.300 1 795 73 73 SER HB2 H 3.899 0.030 1 796 73 73 SER HB3 H 3.899 0.030 1 stop_ save_