data_10285 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the third homeobox domain of AT-binding transcription factor 1 (ATBF1) ; _BMRB_accession_number 10285 _BMRB_flat_file_name bmr10285.str _Entry_type new _Submission_date 2008-12-17 _Accession_date 2008-12-18 _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 Ohnishi S. . . 2 Kigawa T. . . 3 Tomizawa T. . . 4 Koshiba S. . . 5 Inoue M. . . 6 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" 457 "13C chemical shifts" 332 "15N chemical shifts" 76 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-12-17 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the third homeobox domain of AT-binding transcription factor 1 (ATBF1) ; _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 Ohnishi S. . . 2 Kigawa T. . . 3 Tomizawa T. . . 4 Koshiba S. . . 5 Inoue M. . . 6 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 'Alpha-fetoprotein enhancer binding protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'The third homeobox domain' $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 'The third homeobox domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 80 _Mol_residue_sequence ; GSSGSSGGTGGEEPQRDKRL RTTITPEQLEILYQKYLLDS NPTRKMLDHIAHEVGLKKRV VQVWFQNTRARERKSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLY 9 THR 10 GLY 11 GLY 12 GLU 13 GLU 14 PRO 15 GLN 16 ARG 17 ASP 18 LYS 19 ARG 20 LEU 21 ARG 22 THR 23 THR 24 ILE 25 THR 26 PRO 27 GLU 28 GLN 29 LEU 30 GLU 31 ILE 32 LEU 33 TYR 34 GLN 35 LYS 36 TYR 37 LEU 38 LEU 39 ASP 40 SER 41 ASN 42 PRO 43 THR 44 ARG 45 LYS 46 MET 47 LEU 48 ASP 49 HIS 50 ILE 51 ALA 52 HIS 53 GLU 54 VAL 55 GLY 56 LEU 57 LYS 58 LYS 59 ARG 60 VAL 61 VAL 62 GLN 63 VAL 64 TRP 65 PHE 66 GLN 67 ASN 68 THR 69 ARG 70 ALA 71 ARG 72 GLU 73 ARG 74 LYS 75 SER 76 GLY 77 PRO 78 SER 79 SER 80 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-23 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 2DA3 "Solution Structure Of The Third Homeobox Domain Of At- Binding Transcription Factor 1 (Atbf1)" 100.00 80 100.00 100.00 3.23e-50 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 P050322-09 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 1.1 mM '[U-13C; U-15N]' d-TrisHCl 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 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _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 0.932 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 'Guntert, 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_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-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 13C-separated NOESY' '3D 15N-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 'The third homeobox domain' _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 8 8 GLY HA2 H 4.031 0.030 1 2 8 8 GLY HA3 H 4.031 0.030 1 3 8 8 GLY C C 174.729 0.300 1 4 8 8 GLY CA C 45.278 0.300 1 5 9 9 THR H H 8.248 0.030 1 6 9 9 THR HA H 4.376 0.030 1 7 9 9 THR HB H 4.291 0.030 1 8 9 9 THR HG2 H 1.175 0.030 1 9 9 9 THR C C 175.485 0.300 1 10 9 9 THR CA C 61.837 0.300 1 11 9 9 THR CB C 69.737 0.300 1 12 9 9 THR CG2 C 21.645 0.300 1 13 9 9 THR N N 112.908 0.300 1 14 10 10 GLY H H 8.581 0.030 1 15 10 10 GLY HA2 H 3.985 0.030 1 16 10 10 GLY HA3 H 3.985 0.030 1 17 10 10 GLY C C 174.705 0.300 1 18 10 10 GLY CA C 45.455 0.300 1 19 10 10 GLY N N 111.487 0.300 1 20 11 11 GLY H H 8.286 0.030 1 21 11 11 GLY HA2 H 3.958 0.030 1 22 11 11 GLY HA3 H 3.958 0.030 1 23 11 11 GLY C C 174.071 0.300 1 24 11 11 GLY CA C 45.101 0.300 1 25 11 11 GLY N N 108.887 0.300 1 26 12 12 GLU H H 8.333 0.030 1 27 12 12 GLU HA H 4.271 0.030 1 28 12 12 GLU HB2 H 1.877 0.030 2 29 12 12 GLU HB3 H 1.995 0.030 2 30 12 12 GLU HG2 H 2.216 0.030 1 31 12 12 GLU HG3 H 2.216 0.030 1 32 12 12 GLU C C 176.435 0.300 1 33 12 12 GLU CA C 56.278 0.300 1 34 12 12 GLU CB C 30.358 0.300 1 35 12 12 GLU CG C 36.197 0.300 1 36 12 12 GLU N N 120.407 0.300 1 37 13 13 GLU H H 8.546 0.030 1 38 13 13 GLU HA H 4.521 0.030 1 39 13 13 GLU HB2 H 1.881 0.030 2 40 13 13 GLU HB3 H 1.996 0.030 2 41 13 13 GLU HG2 H 2.259 0.030 1 42 13 13 GLU HG3 H 2.259 0.030 1 43 13 13 GLU C C 174.648 0.300 1 44 13 13 GLU CA C 54.687 0.300 1 45 13 13 GLU CB C 29.688 0.300 1 46 13 13 GLU CG C 35.933 0.300 1 47 13 13 GLU N N 123.832 0.300 1 48 14 14 PRO HA H 4.375 0.030 1 49 14 14 PRO HB2 H 1.847 0.030 2 50 14 14 PRO HB3 H 2.267 0.030 2 51 14 14 PRO HD2 H 3.790 0.030 2 52 14 14 PRO HD3 H 3.666 0.030 2 53 14 14 PRO HG2 H 1.990 0.030 1 54 14 14 PRO HG3 H 1.990 0.030 1 55 14 14 PRO C C 177.117 0.300 1 56 14 14 PRO CA C 63.379 0.300 1 57 14 14 PRO CB C 32.003 0.300 1 58 14 14 PRO CD C 50.694 0.300 1 59 14 14 PRO CG C 27.312 0.300 1 60 15 15 GLN H H 8.543 0.030 1 61 15 15 GLN HA H 4.230 0.030 1 62 15 15 GLN HB2 H 1.972 0.030 2 63 15 15 GLN HB3 H 2.081 0.030 2 64 15 15 GLN HE21 H 7.604 0.030 2 65 15 15 GLN HE22 H 6.893 0.030 2 66 15 15 GLN HG2 H 2.371 0.030 1 67 15 15 GLN HG3 H 2.371 0.030 1 68 15 15 GLN C C 176.459 0.300 1 69 15 15 GLN CA C 56.171 0.300 1 70 15 15 GLN CB C 28.935 0.300 1 71 15 15 GLN CG C 33.817 0.300 1 72 15 15 GLN N N 120.153 0.300 1 73 15 15 GLN NE2 N 112.997 0.300 1 74 16 16 ARG H H 8.337 0.030 1 75 16 16 ARG HA H 4.219 0.030 1 76 16 16 ARG HB2 H 1.767 0.030 1 77 16 16 ARG HB3 H 1.767 0.030 1 78 16 16 ARG HD2 H 3.192 0.030 1 79 16 16 ARG HD3 H 3.192 0.030 1 80 16 16 ARG HG2 H 1.604 0.030 1 81 16 16 ARG HG3 H 1.604 0.030 1 82 16 16 ARG C C 176.216 0.300 1 83 16 16 ARG CA C 56.809 0.300 1 84 16 16 ARG CB C 30.666 0.300 1 85 16 16 ARG CD C 43.353 0.300 1 86 16 16 ARG CG C 27.159 0.300 1 87 16 16 ARG N N 122.090 0.300 1 88 17 17 ASP H H 8.313 0.030 1 89 17 17 ASP HA H 4.523 0.030 1 90 17 17 ASP HB2 H 2.617 0.030 2 91 17 17 ASP HB3 H 2.713 0.030 2 92 17 17 ASP C C 176.727 0.300 1 93 17 17 ASP CA C 54.591 0.300 1 94 17 17 ASP CB C 41.097 0.300 1 95 17 17 ASP N N 120.664 0.300 1 96 18 18 LYS H H 8.276 0.030 1 97 18 18 LYS HA H 4.175 0.030 1 98 18 18 LYS HB2 H 1.858 0.030 2 99 18 18 LYS HB3 H 1.745 0.030 2 100 18 18 LYS HD2 H 1.650 0.030 1 101 18 18 LYS HD3 H 1.650 0.030 1 102 18 18 LYS HE2 H 2.969 0.030 1 103 18 18 LYS HE3 H 2.969 0.030 1 104 18 18 LYS HG2 H 1.375 0.030 2 105 18 18 LYS HG3 H 1.437 0.030 2 106 18 18 LYS C C 176.971 0.300 1 107 18 18 LYS CA C 56.971 0.300 1 108 18 18 LYS CB C 32.562 0.300 1 109 18 18 LYS CD C 29.129 0.300 1 110 18 18 LYS CE C 42.091 0.300 1 111 18 18 LYS CG C 24.830 0.300 1 112 18 18 LYS N N 122.504 0.300 1 113 19 19 ARG H H 8.240 0.030 1 114 19 19 ARG HA H 4.205 0.030 1 115 19 19 ARG HB2 H 1.807 0.030 1 116 19 19 ARG HB3 H 1.807 0.030 1 117 19 19 ARG HD2 H 3.157 0.030 1 118 19 19 ARG HD3 H 3.157 0.030 1 119 19 19 ARG HG2 H 1.607 0.030 1 120 19 19 ARG HG3 H 1.607 0.030 1 121 19 19 ARG C C 176.532 0.300 1 122 19 19 ARG CA C 56.632 0.300 1 123 19 19 ARG CB C 30.647 0.300 1 124 19 19 ARG CD C 43.360 0.300 1 125 19 19 ARG CG C 27.159 0.300 1 126 19 19 ARG N N 120.296 0.300 1 127 20 20 LEU H H 8.068 0.030 1 128 20 20 LEU HA H 4.262 0.030 1 129 20 20 LEU HB2 H 1.483 0.030 2 130 20 20 LEU HB3 H 1.674 0.030 2 131 20 20 LEU HD1 H 0.813 0.030 1 132 20 20 LEU HD2 H 0.905 0.030 1 133 20 20 LEU HG H 1.603 0.030 1 134 20 20 LEU C C 177.288 0.300 1 135 20 20 LEU CA C 55.110 0.300 1 136 20 20 LEU CB C 42.081 0.300 1 137 20 20 LEU CD1 C 23.339 0.300 2 138 20 20 LEU CD2 C 25.087 0.300 2 139 20 20 LEU CG C 26.985 0.300 1 140 20 20 LEU N N 121.867 0.300 1 141 21 21 ARG H H 8.226 0.030 1 142 21 21 ARG HA H 4.413 0.030 1 143 21 21 ARG HB2 H 1.928 0.030 2 144 21 21 ARG HB3 H 1.832 0.030 2 145 21 21 ARG HD2 H 3.193 0.030 1 146 21 21 ARG HD3 H 3.193 0.030 1 147 21 21 ARG HG2 H 1.678 0.030 2 148 21 21 ARG HG3 H 1.623 0.030 2 149 21 21 ARG C C 176.313 0.300 1 150 21 21 ARG CA C 56.194 0.300 1 151 21 21 ARG CB C 30.996 0.300 1 152 21 21 ARG CD C 43.352 0.300 1 153 21 21 ARG CG C 27.360 0.300 1 154 21 21 ARG N N 121.612 0.300 1 155 22 22 THR H H 8.215 0.030 1 156 22 22 THR HA H 4.405 0.030 1 157 22 22 THR HB H 4.209 0.030 1 158 22 22 THR HG2 H 1.185 0.030 1 159 22 22 THR C C 174.169 0.300 1 160 22 22 THR CA C 61.963 0.300 1 161 22 22 THR CB C 69.779 0.300 1 162 22 22 THR CG2 C 21.674 0.300 1 163 22 22 THR N N 114.661 0.300 1 164 23 23 THR H H 8.087 0.030 1 165 23 23 THR HA H 4.308 0.030 1 166 23 23 THR HB H 4.114 0.030 1 167 23 23 THR HG2 H 1.173 0.030 1 168 23 23 THR C C 173.413 0.300 1 169 23 23 THR CA C 62.158 0.300 1 170 23 23 THR CB C 69.916 0.300 1 171 23 23 THR CG2 C 21.599 0.300 1 172 23 23 THR N N 118.008 0.300 1 173 24 24 ILE H H 8.110 0.030 1 174 24 24 ILE HA H 4.200 0.030 1 175 24 24 ILE HB H 1.607 0.030 1 176 24 24 ILE HD1 H 0.631 0.030 1 177 24 24 ILE HG12 H 0.719 0.030 2 178 24 24 ILE HG13 H 1.566 0.030 2 179 24 24 ILE HG2 H 0.735 0.030 1 180 24 24 ILE C C 176.654 0.300 1 181 24 24 ILE CA C 61.690 0.300 1 182 24 24 ILE CB C 39.487 0.300 1 183 24 24 ILE CD1 C 13.198 0.300 1 184 24 24 ILE CG1 C 27.535 0.300 1 185 24 24 ILE CG2 C 18.436 0.300 1 186 24 24 ILE N N 124.852 0.300 1 187 25 25 THR H H 9.023 0.030 1 188 25 25 THR HA H 4.564 0.030 1 189 25 25 THR HB H 4.766 0.030 1 190 25 25 THR HG2 H 1.280 0.030 1 191 25 25 THR C C 173.433 0.300 1 192 25 25 THR CA C 60.759 0.300 1 193 25 25 THR CB C 68.089 0.300 1 194 25 25 THR CG2 C 21.713 0.300 1 195 25 25 THR N N 120.568 0.300 1 196 26 26 PRO HA H 4.172 0.030 1 197 26 26 PRO HB2 H 1.890 0.030 2 198 26 26 PRO HB3 H 2.372 0.030 2 199 26 26 PRO HD2 H 3.897 0.030 2 200 26 26 PRO HD3 H 3.897 0.030 2 201 26 26 PRO HG2 H 2.223 0.030 2 202 26 26 PRO HG3 H 2.001 0.030 2 203 26 26 PRO C C 179.237 0.300 1 204 26 26 PRO CA C 65.917 0.300 1 205 26 26 PRO CB C 31.725 0.300 1 206 26 26 PRO CD C 50.285 0.300 1 207 26 26 PRO CG C 28.215 0.300 1 208 27 27 GLU H H 8.722 0.030 1 209 27 27 GLU HA H 4.006 0.030 1 210 27 27 GLU HB2 H 1.888 0.030 2 211 27 27 GLU HB3 H 2.028 0.030 2 212 27 27 GLU HG2 H 2.404 0.030 2 213 27 27 GLU HG3 H 2.231 0.030 2 214 27 27 GLU C C 179.749 0.300 1 215 27 27 GLU CA C 60.353 0.300 1 216 27 27 GLU CB C 28.851 0.300 1 217 27 27 GLU CG C 37.172 0.300 1 218 27 27 GLU N N 117.087 0.300 1 219 28 28 GLN H H 7.666 0.030 1 220 28 28 GLN HA H 3.767 0.030 1 221 28 28 GLN HB2 H 1.295 0.030 2 222 28 28 GLN HB3 H 2.483 0.030 2 223 28 28 GLN HE21 H 7.477 0.030 2 224 28 28 GLN HE22 H 6.085 0.030 2 225 28 28 GLN HG2 H 2.469 0.030 2 226 28 28 GLN HG3 H 2.375 0.030 2 227 28 28 GLN C C 177.872 0.300 1 228 28 28 GLN CA C 58.821 0.300 1 229 28 28 GLN CB C 29.401 0.300 1 230 28 28 GLN CG C 34.732 0.300 1 231 28 28 GLN N N 119.298 0.300 1 232 28 28 GLN NE2 N 110.170 0.300 1 233 29 29 LEU H H 8.453 0.030 1 234 29 29 LEU HA H 3.484 0.030 1 235 29 29 LEU HB2 H 1.668 0.030 2 236 29 29 LEU HB3 H 1.587 0.030 2 237 29 29 LEU HD1 H 0.873 0.030 1 238 29 29 LEU HD2 H 0.857 0.030 1 239 29 29 LEU HG H 1.575 0.030 1 240 29 29 LEU C C 178.092 0.300 1 241 29 29 LEU CA C 57.737 0.300 1 242 29 29 LEU CB C 41.578 0.300 1 243 29 29 LEU CD1 C 24.813 0.300 2 244 29 29 LEU CD2 C 24.681 0.300 2 245 29 29 LEU CG C 26.497 0.300 1 246 29 29 LEU N N 120.145 0.300 1 247 30 30 GLU H H 7.607 0.030 1 248 30 30 GLU HA H 4.069 0.030 1 249 30 30 GLU HB2 H 2.097 0.030 2 250 30 30 GLU HB3 H 2.036 0.030 2 251 30 30 GLU HG2 H 2.366 0.030 2 252 30 30 GLU HG3 H 2.270 0.030 2 253 30 30 GLU C C 179.140 0.300 1 254 30 30 GLU CA C 59.334 0.300 1 255 30 30 GLU CB C 29.512 0.300 1 256 30 30 GLU CG C 35.988 0.300 1 257 30 30 GLU N N 116.903 0.300 1 258 31 31 ILE H H 7.070 0.030 1 259 31 31 ILE HA H 3.692 0.030 1 260 31 31 ILE HB H 1.810 0.030 1 261 31 31 ILE HD1 H 0.809 0.030 1 262 31 31 ILE HG12 H 1.126 0.030 2 263 31 31 ILE HG13 H 1.698 0.030 2 264 31 31 ILE HG2 H 0.768 0.030 1 265 31 31 ILE C C 178.287 0.300 1 266 31 31 ILE CA C 64.416 0.300 1 267 31 31 ILE CB C 37.777 0.300 1 268 31 31 ILE CD1 C 12.797 0.300 1 269 31 31 ILE CG1 C 28.431 0.300 1 270 31 31 ILE CG2 C 17.994 0.300 1 271 31 31 ILE N N 118.947 0.300 1 272 32 32 LEU H H 8.126 0.030 1 273 32 32 LEU HA H 3.418 0.030 1 274 32 32 LEU HB2 H -0.746 0.030 2 275 32 32 LEU HB3 H 0.735 0.030 2 276 32 32 LEU HD1 H -0.316 0.030 1 277 32 32 LEU HD2 H 0.425 0.030 1 278 32 32 LEU HG H 1.215 0.030 1 279 32 32 LEU C C 178.311 0.300 1 280 32 32 LEU CA C 58.497 0.300 1 281 32 32 LEU CB C 38.146 0.300 1 282 32 32 LEU CD1 C 24.118 0.300 2 283 32 32 LEU CD2 C 22.810 0.300 2 284 32 32 LEU CG C 25.866 0.300 1 285 32 32 LEU N N 120.437 0.300 1 286 33 33 TYR H H 8.312 0.030 1 287 33 33 TYR HA H 4.358 0.030 1 288 33 33 TYR HB2 H 3.024 0.030 1 289 33 33 TYR HB3 H 3.024 0.030 1 290 33 33 TYR HD1 H 7.116 0.030 1 291 33 33 TYR HD2 H 7.116 0.030 1 292 33 33 TYR HE1 H 6.701 0.030 1 293 33 33 TYR HE2 H 6.701 0.030 1 294 33 33 TYR C C 178.214 0.300 1 295 33 33 TYR CA C 62.645 0.300 1 296 33 33 TYR CB C 37.807 0.300 1 297 33 33 TYR CD1 C 132.780 0.300 1 298 33 33 TYR CD2 C 132.780 0.300 1 299 33 33 TYR CE1 C 118.201 0.300 1 300 33 33 TYR CE2 C 118.201 0.300 1 301 33 33 TYR N N 117.248 0.300 1 302 34 34 GLN H H 7.750 0.030 1 303 34 34 GLN HA H 3.967 0.030 1 304 34 34 GLN HB2 H 2.176 0.030 2 305 34 34 GLN HB3 H 2.362 0.030 2 306 34 34 GLN HE21 H 7.631 0.030 2 307 34 34 GLN HE22 H 6.815 0.030 2 308 34 34 GLN HG2 H 2.642 0.030 2 309 34 34 GLN HG3 H 2.514 0.030 2 310 34 34 GLN C C 180.065 0.300 1 311 34 34 GLN CA C 59.143 0.300 1 312 34 34 GLN CB C 27.781 0.300 1 313 34 34 GLN CG C 33.770 0.300 1 314 34 34 GLN N N 117.509 0.300 1 315 34 34 GLN NE2 N 112.016 0.300 1 316 35 35 LYS H H 8.381 0.030 1 317 35 35 LYS HA H 4.132 0.030 1 318 35 35 LYS HB2 H 2.043 0.030 2 319 35 35 LYS HB3 H 2.444 0.030 2 320 35 35 LYS HD2 H 1.517 0.030 2 321 35 35 LYS HD3 H 1.716 0.030 2 322 35 35 LYS HE2 H 2.738 0.030 1 323 35 35 LYS HE3 H 2.738 0.030 1 324 35 35 LYS HG2 H 1.929 0.030 2 325 35 35 LYS HG3 H 1.348 0.030 2 326 35 35 LYS C C 179.456 0.300 1 327 35 35 LYS CA C 57.839 0.300 1 328 35 35 LYS CB C 31.487 0.300 1 329 35 35 LYS CD C 28.003 0.300 1 330 35 35 LYS CE C 42.355 0.300 1 331 35 35 LYS CG C 24.931 0.300 1 332 35 35 LYS N N 117.671 0.300 1 333 36 36 TYR H H 9.036 0.030 1 334 36 36 TYR HA H 4.164 0.030 1 335 36 36 TYR HB2 H 3.030 0.030 2 336 36 36 TYR HB3 H 3.293 0.030 2 337 36 36 TYR HD1 H 6.783 0.030 1 338 36 36 TYR HD2 H 6.783 0.030 1 339 36 36 TYR HE1 H 6.706 0.030 1 340 36 36 TYR HE2 H 6.706 0.030 1 341 36 36 TYR C C 176.630 0.300 1 342 36 36 TYR CA C 61.726 0.300 1 343 36 36 TYR CB C 38.579 0.300 1 344 36 36 TYR CD1 C 132.857 0.300 1 345 36 36 TYR CD2 C 132.857 0.300 1 346 36 36 TYR CE1 C 118.027 0.300 1 347 36 36 TYR CE2 C 118.027 0.300 1 348 36 36 TYR N N 124.434 0.300 1 349 37 37 LEU H H 7.848 0.030 1 350 37 37 LEU HA H 3.918 0.030 1 351 37 37 LEU HB2 H 1.460 0.030 2 352 37 37 LEU HB3 H 1.825 0.030 2 353 37 37 LEU HD1 H 0.865 0.030 1 354 37 37 LEU HD2 H 0.885 0.030 1 355 37 37 LEU HG H 1.717 0.030 1 356 37 37 LEU C C 179.334 0.300 1 357 37 37 LEU CA C 56.827 0.300 1 358 37 37 LEU CB C 42.069 0.300 1 359 37 37 LEU CD1 C 25.304 0.300 2 360 37 37 LEU CD2 C 22.837 0.300 2 361 37 37 LEU CG C 26.572 0.300 1 362 37 37 LEU N N 116.192 0.300 1 363 38 38 LEU H H 7.230 0.030 1 364 38 38 LEU HA H 4.150 0.030 1 365 38 38 LEU HB2 H 1.584 0.030 2 366 38 38 LEU HB3 H 1.951 0.030 2 367 38 38 LEU HD1 H 0.937 0.030 1 368 38 38 LEU HD2 H 0.865 0.030 1 369 38 38 LEU HG H 1.827 0.030 1 370 38 38 LEU C C 178.116 0.300 1 371 38 38 LEU CA C 56.915 0.300 1 372 38 38 LEU CB C 42.336 0.300 1 373 38 38 LEU CD1 C 25.319 0.300 2 374 38 38 LEU CD2 C 22.899 0.300 2 375 38 38 LEU CG C 26.456 0.300 1 376 38 38 LEU N N 118.422 0.300 1 377 39 39 ASP H H 7.543 0.030 1 378 39 39 ASP HA H 4.364 0.030 1 379 39 39 ASP HB2 H 2.629 0.030 1 380 39 39 ASP HB3 H 2.629 0.030 1 381 39 39 ASP C C 174.778 0.300 1 382 39 39 ASP CA C 54.731 0.300 1 383 39 39 ASP CB C 41.134 0.300 1 384 39 39 ASP N N 117.417 0.300 1 385 40 40 SER H H 8.240 0.030 1 386 40 40 SER HA H 3.984 0.030 1 387 40 40 SER HB2 H 3.221 0.030 1 388 40 40 SER HB3 H 3.221 0.030 1 389 40 40 SER C C 174.169 0.300 1 390 40 40 SER CA C 58.825 0.300 1 391 40 40 SER CB C 63.964 0.300 1 392 40 40 SER N N 119.077 0.300 1 393 41 41 ASN H H 8.711 0.030 1 394 41 41 ASN HA H 5.007 0.030 1 395 41 41 ASN HB2 H 2.376 0.030 2 396 41 41 ASN HB3 H 2.804 0.030 2 397 41 41 ASN HD21 H 7.626 0.030 2 398 41 41 ASN HD22 H 6.690 0.030 2 399 41 41 ASN C C 171.078 0.300 1 400 41 41 ASN CA C 51.291 0.300 1 401 41 41 ASN CB C 39.815 0.300 1 402 41 41 ASN N N 119.546 0.300 1 403 41 41 ASN ND2 N 112.754 0.300 1 404 42 42 PRO HA H 4.408 0.030 1 405 42 42 PRO HB2 H 1.568 0.030 2 406 42 42 PRO HB3 H 1.841 0.030 2 407 42 42 PRO HD2 H 3.282 0.030 2 408 42 42 PRO HD3 H 3.051 0.030 2 409 42 42 PRO HG2 H 1.077 0.030 2 410 42 42 PRO HG3 H 0.648 0.030 2 411 42 42 PRO C C 177.028 0.300 1 412 42 42 PRO CA C 62.678 0.300 1 413 42 42 PRO CB C 31.869 0.300 1 414 42 42 PRO CD C 50.748 0.300 1 415 42 42 PRO CG C 26.584 0.300 1 416 43 43 THR H H 7.797 0.030 1 417 43 43 THR HA H 4.205 0.030 1 418 43 43 THR HB H 4.725 0.030 1 419 43 43 THR HG2 H 1.369 0.030 1 420 43 43 THR C C 174.729 0.300 1 421 43 43 THR CA C 60.690 0.300 1 422 43 43 THR CB C 71.138 0.300 1 423 43 43 THR CG2 C 21.887 0.300 1 424 43 43 THR N N 111.399 0.300 1 425 44 44 ARG H H 8.718 0.030 1 426 44 44 ARG HA H 3.863 0.030 1 427 44 44 ARG HB2 H 1.894 0.030 2 428 44 44 ARG HB3 H 1.845 0.030 2 429 44 44 ARG HD2 H 3.186 0.030 1 430 44 44 ARG HD3 H 3.186 0.030 1 431 44 44 ARG HG2 H 1.697 0.030 2 432 44 44 ARG HG3 H 1.637 0.030 2 433 44 44 ARG C C 178.384 0.300 1 434 44 44 ARG CA C 60.014 0.300 1 435 44 44 ARG CB C 29.512 0.300 1 436 44 44 ARG CD C 43.361 0.300 1 437 44 44 ARG CG C 27.204 0.300 1 438 44 44 ARG N N 120.640 0.300 1 439 45 45 LYS H H 8.142 0.030 1 440 45 45 LYS HA H 4.070 0.030 1 441 45 45 LYS HB2 H 1.780 0.030 2 442 45 45 LYS HB3 H 1.668 0.030 2 443 45 45 LYS HD2 H 1.658 0.030 1 444 45 45 LYS HD3 H 1.658 0.030 1 445 45 45 LYS HE2 H 2.963 0.030 1 446 45 45 LYS HE3 H 2.963 0.030 1 447 45 45 LYS HG2 H 1.342 0.030 2 448 45 45 LYS HG3 H 1.465 0.030 2 449 45 45 LYS C C 179.334 0.300 1 450 45 45 LYS CA C 59.170 0.300 1 451 45 45 LYS CB C 32.457 0.300 1 452 45 45 LYS CD C 29.221 0.300 1 453 45 45 LYS CE C 42.231 0.300 1 454 45 45 LYS CG C 24.915 0.300 1 455 45 45 LYS N N 117.851 0.300 1 456 46 46 MET H H 7.560 0.030 1 457 46 46 MET HA H 4.329 0.030 1 458 46 46 MET HB2 H 2.606 0.030 2 459 46 46 MET HB3 H 2.551 0.030 2 460 46 46 MET HE H 2.089 0.030 1 461 46 46 MET HG2 H 2.063 0.030 1 462 46 46 MET HG3 H 2.063 0.030 1 463 46 46 MET C C 178.774 0.300 1 464 46 46 MET CA C 57.799 0.300 1 465 46 46 MET CB C 32.210 0.300 1 466 46 46 MET CE C 16.838 0.300 1 467 46 46 MET CG C 32.215 0.300 1 468 46 46 MET N N 119.433 0.300 1 469 47 47 LEU H H 8.624 0.030 1 470 47 47 LEU HA H 3.758 0.030 1 471 47 47 LEU HB2 H 1.247 0.030 2 472 47 47 LEU HB3 H 1.958 0.030 2 473 47 47 LEU HD1 H 0.710 0.030 1 474 47 47 LEU HD2 H 0.425 0.030 1 475 47 47 LEU HG H 1.356 0.030 1 476 47 47 LEU C C 178.701 0.300 1 477 47 47 LEU CA C 58.648 0.300 1 478 47 47 LEU CB C 42.248 0.300 1 479 47 47 LEU CD1 C 26.017 0.300 2 480 47 47 LEU CD2 C 24.656 0.300 2 481 47 47 LEU CG C 26.984 0.300 1 482 47 47 LEU N N 120.980 0.300 1 483 48 48 ASP H H 7.891 0.030 1 484 48 48 ASP HA H 4.275 0.030 1 485 48 48 ASP HB2 H 2.633 0.030 2 486 48 48 ASP HB3 H 2.824 0.030 2 487 48 48 ASP C C 178.798 0.300 1 488 48 48 ASP CA C 57.662 0.300 1 489 48 48 ASP CB C 40.347 0.300 1 490 48 48 ASP N N 119.025 0.300 1 491 49 49 HIS H H 7.760 0.030 1 492 49 49 HIS HA H 4.390 0.030 1 493 49 49 HIS HB2 H 3.400 0.030 2 494 49 49 HIS HB3 H 3.261 0.030 2 495 49 49 HIS HD2 H 6.968 0.030 1 496 49 49 HIS C C 178.287 0.300 1 497 49 49 HIS CA C 59.930 0.300 1 498 49 49 HIS CB C 30.348 0.300 1 499 49 49 HIS CD2 C 119.989 0.300 1 500 49 49 HIS N N 120.629 0.300 1 501 50 50 ILE H H 8.934 0.030 1 502 50 50 ILE HA H 3.619 0.030 1 503 50 50 ILE HB H 1.871 0.030 1 504 50 50 ILE HD1 H 0.830 0.030 1 505 50 50 ILE HG12 H 0.819 0.030 2 506 50 50 ILE HG13 H 2.136 0.030 2 507 50 50 ILE HG2 H 0.873 0.030 1 508 50 50 ILE C C 177.410 0.300 1 509 50 50 ILE CA C 65.779 0.300 1 510 50 50 ILE CB C 38.622 0.300 1 511 50 50 ILE CD1 C 14.297 0.300 1 512 50 50 ILE CG1 C 29.917 0.300 1 513 50 50 ILE CG2 C 18.361 0.300 1 514 50 50 ILE N N 120.913 0.300 1 515 51 51 ALA H H 8.423 0.030 1 516 51 51 ALA HA H 3.859 0.030 1 517 51 51 ALA HB H 1.545 0.030 1 518 51 51 ALA C C 179.213 0.300 1 519 51 51 ALA CA C 56.348 0.300 1 520 51 51 ALA CB C 17.292 0.300 1 521 51 51 ALA N N 120.695 0.300 1 522 52 52 HIS H H 7.735 0.030 1 523 52 52 HIS HA H 4.273 0.030 1 524 52 52 HIS HB2 H 3.243 0.030 1 525 52 52 HIS HB3 H 3.243 0.030 1 526 52 52 HIS HD2 H 7.032 0.030 1 527 52 52 HIS C C 177.799 0.300 1 528 52 52 HIS CA C 59.406 0.300 1 529 52 52 HIS CB C 29.842 0.300 1 530 52 52 HIS CD2 C 120.206 0.300 1 531 52 52 HIS N N 115.822 0.300 1 532 53 53 GLU H H 8.299 0.030 1 533 53 53 GLU HA H 3.842 0.030 1 534 53 53 GLU HB2 H 2.062 0.030 2 535 53 53 GLU HB3 H 1.995 0.030 2 536 53 53 GLU HG2 H 1.992 0.030 2 537 53 53 GLU HG3 H 2.218 0.030 2 538 53 53 GLU C C 178.652 0.300 1 539 53 53 GLU CA C 59.434 0.300 1 540 53 53 GLU CB C 30.204 0.300 1 541 53 53 GLU CG C 36.201 0.300 1 542 53 53 GLU N N 120.073 0.300 1 543 54 54 VAL H H 8.446 0.030 1 544 54 54 VAL HA H 4.150 0.030 1 545 54 54 VAL HB H 2.037 0.030 1 546 54 54 VAL HG1 H 0.915 0.030 1 547 54 54 VAL HG2 H 0.939 0.030 1 548 54 54 VAL C C 175.899 0.300 1 549 54 54 VAL CA C 62.001 0.300 1 550 54 54 VAL CB C 33.000 0.300 1 551 54 54 VAL CG1 C 22.069 0.300 2 552 54 54 VAL CG2 C 22.038 0.300 2 553 54 54 VAL N N 112.194 0.300 1 554 55 55 GLY H H 7.879 0.030 1 555 55 55 GLY HA2 H 3.975 0.030 2 556 55 55 GLY HA3 H 3.814 0.030 2 557 55 55 GLY C C 174.461 0.300 1 558 55 55 GLY CA C 46.551 0.300 1 559 55 55 GLY N N 111.306 0.300 1 560 56 56 LEU H H 7.766 0.030 1 561 56 56 LEU HA H 4.825 0.030 1 562 56 56 LEU HB2 H 1.155 0.030 2 563 56 56 LEU HB3 H 1.319 0.030 2 564 56 56 LEU HD1 H 0.949 0.030 1 565 56 56 LEU HD2 H 0.573 0.030 1 566 56 56 LEU HG H 1.334 0.030 1 567 56 56 LEU C C 175.704 0.300 1 568 56 56 LEU CA C 52.223 0.300 1 569 56 56 LEU CB C 47.913 0.300 1 570 56 56 LEU CD1 C 23.722 0.300 2 571 56 56 LEU CD2 C 26.899 0.300 2 572 56 56 LEU CG C 26.802 0.300 1 573 56 56 LEU N N 119.685 0.300 1 574 57 57 LYS H H 8.268 0.030 1 575 57 57 LYS HA H 4.212 0.030 1 576 57 57 LYS HB2 H 1.680 0.030 2 577 57 57 LYS HB3 H 2.080 0.030 2 578 57 57 LYS HD2 H 1.747 0.030 2 579 57 57 LYS HD3 H 1.696 0.030 2 580 57 57 LYS HE2 H 3.016 0.030 1 581 57 57 LYS HE3 H 3.016 0.030 1 582 57 57 LYS HG2 H 1.525 0.030 2 583 57 57 LYS HG3 H 1.622 0.030 2 584 57 57 LYS C C 178.555 0.300 1 585 57 57 LYS CA C 56.375 0.300 1 586 57 57 LYS CB C 32.750 0.300 1 587 57 57 LYS CD C 29.035 0.300 1 588 57 57 LYS CE C 42.221 0.300 1 589 57 57 LYS CG C 25.770 0.300 1 590 57 57 LYS N N 118.380 0.300 1 591 58 58 LYS H H 8.853 0.030 1 592 58 58 LYS HA H 3.670 0.030 1 593 58 58 LYS HB2 H 1.837 0.030 1 594 58 58 LYS HB3 H 1.837 0.030 1 595 58 58 LYS HD2 H 1.700 0.030 1 596 58 58 LYS HD3 H 1.700 0.030 1 597 58 58 LYS HE2 H 2.915 0.030 1 598 58 58 LYS HE3 H 2.915 0.030 1 599 58 58 LYS HG2 H 1.502 0.030 2 600 58 58 LYS HG3 H 1.375 0.030 2 601 58 58 LYS C C 178.652 0.300 1 602 58 58 LYS CA C 61.026 0.300 1 603 58 58 LYS CB C 31.655 0.300 1 604 58 58 LYS CD C 29.429 0.300 1 605 58 58 LYS CE C 41.974 0.300 1 606 58 58 LYS CG C 25.110 0.300 1 607 58 58 LYS N N 123.883 0.300 1 608 59 59 ARG H H 8.834 0.030 1 609 59 59 ARG HA H 4.120 0.030 1 610 59 59 ARG HB2 H 1.941 0.030 2 611 59 59 ARG HB3 H 1.760 0.030 2 612 59 59 ARG HD2 H 3.275 0.030 2 613 59 59 ARG HD3 H 3.166 0.030 2 614 59 59 ARG HG2 H 1.699 0.030 1 615 59 59 ARG HG3 H 1.699 0.030 1 616 59 59 ARG C C 177.872 0.300 1 617 59 59 ARG CA C 58.851 0.300 1 618 59 59 ARG CB C 29.832 0.300 1 619 59 59 ARG CD C 43.011 0.300 1 620 59 59 ARG CG C 26.934 0.300 1 621 59 59 ARG N N 117.315 0.300 1 622 60 60 VAL H H 6.892 0.030 1 623 60 60 VAL HA H 3.677 0.030 1 624 60 60 VAL HB H 2.335 0.030 1 625 60 60 VAL HG1 H 0.981 0.030 1 626 60 60 VAL HG2 H 1.112 0.030 1 627 60 60 VAL C C 178.701 0.300 1 628 60 60 VAL CA C 65.741 0.300 1 629 60 60 VAL CB C 31.520 0.300 1 630 60 60 VAL CG1 C 21.511 0.300 2 631 60 60 VAL CG2 C 23.023 0.300 2 632 60 60 VAL N N 117.560 0.300 1 633 61 61 VAL H H 7.394 0.030 1 634 61 61 VAL HA H 3.647 0.030 1 635 61 61 VAL HB H 2.255 0.030 1 636 61 61 VAL HG1 H 1.160 0.030 1 637 61 61 VAL HG2 H 0.899 0.030 1 638 61 61 VAL C C 177.385 0.300 1 639 61 61 VAL CA C 67.232 0.300 1 640 61 61 VAL CB C 32.125 0.300 1 641 61 61 VAL CG1 C 22.824 0.300 2 642 61 61 VAL CG2 C 24.539 0.300 2 643 61 61 VAL N N 119.625 0.300 1 644 62 62 GLN H H 8.681 0.030 1 645 62 62 GLN HA H 4.047 0.030 1 646 62 62 GLN HB2 H 2.166 0.030 2 647 62 62 GLN HB3 H 2.290 0.030 2 648 62 62 GLN HE21 H 6.819 0.030 2 649 62 62 GLN HE22 H 7.519 0.030 2 650 62 62 GLN HG2 H 2.439 0.030 2 651 62 62 GLN HG3 H 2.317 0.030 2 652 62 62 GLN C C 178.798 0.300 1 653 62 62 GLN CA C 60.169 0.300 1 654 62 62 GLN CB C 28.935 0.300 1 655 62 62 GLN CG C 33.687 0.300 1 656 62 62 GLN N N 119.803 0.300 1 657 62 62 GLN NE2 N 111.481 0.300 1 658 63 63 VAL H H 8.279 0.030 1 659 63 63 VAL HA H 3.703 0.030 1 660 63 63 VAL HB H 2.155 0.030 1 661 63 63 VAL HG1 H 0.974 0.030 1 662 63 63 VAL HG2 H 1.096 0.030 1 663 63 63 VAL C C 177.263 0.300 1 664 63 63 VAL CA C 66.384 0.300 1 665 63 63 VAL CB C 31.983 0.300 1 666 63 63 VAL CG1 C 21.488 0.300 2 667 63 63 VAL CG2 C 23.303 0.300 2 668 63 63 VAL N N 120.104 0.300 1 669 64 64 TRP H H 8.376 0.030 1 670 64 64 TRP HA H 4.015 0.030 1 671 64 64 TRP HB2 H 3.524 0.030 2 672 64 64 TRP HB3 H 3.179 0.030 2 673 64 64 TRP HD1 H 7.013 0.030 1 674 64 64 TRP HE1 H 9.260 0.030 1 675 64 64 TRP HE3 H 6.871 0.030 1 676 64 64 TRP HH2 H 6.149 0.030 1 677 64 64 TRP HZ2 H 6.512 0.030 1 678 64 64 TRP HZ3 H 5.571 0.030 1 679 64 64 TRP C C 180.309 0.300 1 680 64 64 TRP CA C 63.421 0.300 1 681 64 64 TRP CB C 28.382 0.300 1 682 64 64 TRP CD1 C 126.395 0.300 1 683 64 64 TRP CE3 C 120.223 0.300 1 684 64 64 TRP CH2 C 123.102 0.300 1 685 64 64 TRP CZ2 C 114.490 0.300 1 686 64 64 TRP CZ3 C 120.502 0.300 1 687 64 64 TRP N N 122.121 0.300 1 688 64 64 TRP NE1 N 128.540 0.300 1 689 65 65 PHE H H 9.032 0.030 1 690 65 65 PHE HA H 3.662 0.030 1 691 65 65 PHE HB2 H 3.428 0.030 2 692 65 65 PHE HB3 H 3.257 0.030 2 693 65 65 PHE HD1 H 7.776 0.030 1 694 65 65 PHE HD2 H 7.776 0.030 1 695 65 65 PHE HE1 H 7.494 0.030 1 696 65 65 PHE HE2 H 7.494 0.030 1 697 65 65 PHE HZ H 7.256 0.030 1 698 65 65 PHE C C 178.214 0.300 1 699 65 65 PHE CA C 63.919 0.300 1 700 65 65 PHE CB C 39.512 0.300 1 701 65 65 PHE CD1 C 132.364 0.300 1 702 65 65 PHE CD2 C 132.364 0.300 1 703 65 65 PHE CE1 C 131.638 0.300 1 704 65 65 PHE CE2 C 131.638 0.300 1 705 65 65 PHE CZ C 129.614 0.300 1 706 65 65 PHE N N 120.975 0.300 1 707 66 66 GLN H H 8.021 0.030 1 708 66 66 GLN HA H 3.957 0.030 1 709 66 66 GLN HB2 H 2.164 0.030 2 710 66 66 GLN HB3 H 2.288 0.030 2 711 66 66 GLN HE21 H 6.885 0.030 2 712 66 66 GLN HE22 H 7.512 0.030 2 713 66 66 GLN HG2 H 2.563 0.030 2 714 66 66 GLN HG3 H 2.446 0.030 2 715 66 66 GLN C C 179.066 0.300 1 716 66 66 GLN CA C 59.426 0.300 1 717 66 66 GLN CB C 28.536 0.300 1 718 66 66 GLN CG C 33.815 0.300 1 719 66 66 GLN N N 117.887 0.300 1 720 66 66 GLN NE2 N 111.200 0.300 1 721 67 67 ASN H H 8.807 0.030 1 722 67 67 ASN HA H 4.331 0.030 1 723 67 67 ASN HB2 H 2.517 0.030 2 724 67 67 ASN HB3 H 2.714 0.030 2 725 67 67 ASN HD21 H 7.545 0.030 2 726 67 67 ASN HD22 H 6.889 0.030 2 727 67 67 ASN C C 177.775 0.300 1 728 67 67 ASN CA C 55.461 0.300 1 729 67 67 ASN CB C 37.718 0.300 1 730 67 67 ASN N N 119.312 0.300 1 731 67 67 ASN ND2 N 112.288 0.300 1 732 68 68 THR H H 8.092 0.030 1 733 68 68 THR HA H 3.262 0.030 1 734 68 68 THR HB H 2.897 0.030 1 735 68 68 THR HG2 H -0.108 0.030 1 736 68 68 THR C C 175.972 0.300 1 737 68 68 THR CA C 66.903 0.300 1 738 68 68 THR CB C 67.800 0.300 1 739 68 68 THR CG2 C 19.522 0.300 1 740 68 68 THR N N 120.500 0.300 1 741 69 69 ARG H H 8.154 0.030 1 742 69 69 ARG HA H 4.362 0.030 1 743 69 69 ARG HB2 H 1.827 0.030 2 744 69 69 ARG HB3 H 2.120 0.030 2 745 69 69 ARG HD2 H 3.548 0.030 2 746 69 69 ARG HD3 H 3.239 0.030 2 747 69 69 ARG HG2 H 1.839 0.030 2 748 69 69 ARG HG3 H 2.177 0.030 2 749 69 69 ARG C C 179.432 0.300 1 750 69 69 ARG CA C 59.805 0.300 1 751 69 69 ARG CB C 31.490 0.300 1 752 69 69 ARG CD C 44.131 0.300 1 753 69 69 ARG CG C 29.168 0.300 1 754 69 69 ARG N N 121.451 0.300 1 755 70 70 ALA H H 7.686 0.030 1 756 70 70 ALA HA H 4.107 0.030 1 757 70 70 ALA HB H 1.464 0.030 1 758 70 70 ALA C C 179.724 0.300 1 759 70 70 ALA CA C 54.512 0.300 1 760 70 70 ALA CB C 18.187 0.300 1 761 70 70 ALA N N 119.887 0.300 1 762 71 71 ARG H H 7.588 0.030 1 763 71 71 ARG HA H 4.073 0.030 1 764 71 71 ARG HB2 H 1.842 0.030 2 765 71 71 ARG HB3 H 1.775 0.030 2 766 71 71 ARG HD2 H 3.085 0.030 1 767 71 71 ARG HD3 H 3.085 0.030 1 768 71 71 ARG HG2 H 1.680 0.030 2 769 71 71 ARG HG3 H 1.565 0.030 2 770 71 71 ARG C C 177.775 0.300 1 771 71 71 ARG CA C 57.849 0.300 1 772 71 71 ARG CB C 30.419 0.300 1 773 71 71 ARG CD C 43.362 0.300 1 774 71 71 ARG CG C 27.408 0.300 1 775 71 71 ARG N N 117.554 0.300 1 776 72 72 GLU H H 7.776 0.030 1 777 72 72 GLU HA H 4.129 0.030 1 778 72 72 GLU HB2 H 2.142 0.030 2 779 72 72 GLU HB3 H 2.021 0.030 2 780 72 72 GLU HG2 H 2.392 0.030 2 781 72 72 GLU HG3 H 2.241 0.030 2 782 72 72 GLU C C 177.190 0.300 1 783 72 72 GLU CA C 57.625 0.300 1 784 72 72 GLU CB C 29.815 0.300 1 785 72 72 GLU CG C 36.536 0.300 1 786 72 72 GLU N N 119.019 0.300 1 787 73 73 ARG H H 7.956 0.030 1 788 73 73 ARG HA H 4.228 0.030 1 789 73 73 ARG HB2 H 1.874 0.030 2 790 73 73 ARG HB3 H 1.837 0.030 2 791 73 73 ARG HD2 H 3.187 0.030 1 792 73 73 ARG HD3 H 3.187 0.030 1 793 73 73 ARG HG2 H 1.690 0.030 2 794 73 73 ARG HG3 H 1.631 0.030 2 795 73 73 ARG C C 176.581 0.300 1 796 73 73 ARG CA C 56.773 0.300 1 797 73 73 ARG CB C 30.254 0.300 1 798 73 73 ARG CD C 43.385 0.300 1 799 73 73 ARG CG C 27.262 0.300 1 800 73 73 ARG N N 119.948 0.300 1 801 74 74 LYS H H 8.155 0.030 1 802 74 74 LYS HA H 4.329 0.030 1 803 74 74 LYS HB2 H 1.779 0.030 2 804 74 74 LYS HB3 H 1.875 0.030 2 805 74 74 LYS HD2 H 1.663 0.030 1 806 74 74 LYS HD3 H 1.663 0.030 1 807 74 74 LYS HE2 H 2.950 0.030 1 808 74 74 LYS HE3 H 2.950 0.030 1 809 74 74 LYS HG2 H 1.428 0.030 2 810 74 74 LYS HG3 H 1.469 0.030 2 811 74 74 LYS C C 176.703 0.300 1 812 74 74 LYS CA C 56.458 0.300 1 813 74 74 LYS CB C 32.825 0.300 1 814 74 74 LYS CD C 29.294 0.300 1 815 74 74 LYS CE C 42.007 0.300 1 816 74 74 LYS CG C 24.876 0.300 1 817 74 74 LYS N N 121.577 0.300 1 818 75 75 SER H H 8.246 0.030 1 819 75 75 SER HA H 4.474 0.030 1 820 75 75 SER HB2 H 3.866 0.030 1 821 75 75 SER HB3 H 3.866 0.030 1 822 75 75 SER C C 174.486 0.300 1 823 75 75 SER CA C 58.365 0.300 1 824 75 75 SER CB C 63.967 0.300 1 825 75 75 SER N N 116.340 0.300 1 826 76 76 GLY H H 8.205 0.030 1 827 76 76 GLY HA2 H 4.118 0.030 1 828 76 76 GLY HA3 H 4.118 0.030 1 829 76 76 GLY C C 171.758 0.300 1 830 76 76 GLY CA C 44.661 0.300 1 831 76 76 GLY N N 110.555 0.300 1 832 77 77 PRO HA H 4.450 0.030 1 833 77 77 PRO HB2 H 1.956 0.030 2 834 77 77 PRO HB3 H 2.267 0.030 2 835 77 77 PRO HD2 H 3.602 0.030 1 836 77 77 PRO HD3 H 3.602 0.030 1 837 77 77 PRO HG2 H 1.989 0.030 1 838 77 77 PRO HG3 H 1.989 0.030 1 839 77 77 PRO C C 177.458 0.300 1 840 77 77 PRO CA C 63.249 0.300 1 841 77 77 PRO CB C 32.180 0.300 1 842 77 77 PRO CD C 49.749 0.300 1 843 77 77 PRO CG C 27.057 0.300 1 844 78 78 SER H H 8.525 0.030 1 845 78 78 SER HA H 4.471 0.030 1 846 78 78 SER HB2 H 3.855 0.030 1 847 78 78 SER HB3 H 3.855 0.030 1 848 78 78 SER C C 174.648 0.300 1 849 78 78 SER CA C 58.460 0.300 1 850 78 78 SER CB C 63.885 0.300 1 851 78 78 SER N N 116.381 0.300 1 852 79 79 SER H H 8.309 0.030 1 853 79 79 SER HA H 4.457 0.030 1 854 79 79 SER HB2 H 3.861 0.030 1 855 79 79 SER HB3 H 3.861 0.030 1 856 79 79 SER C C 173.925 0.300 1 857 79 79 SER CA C 58.401 0.300 1 858 79 79 SER CB C 64.132 0.300 1 859 79 79 SER N N 117.741 0.300 1 860 80 80 GLY H H 8.032 0.030 1 861 80 80 GLY HA2 H 3.738 0.030 1 862 80 80 GLY HA3 H 3.738 0.030 1 863 80 80 GLY C C 178.971 0.300 1 864 80 80 GLY CA C 46.197 0.300 1 865 80 80 GLY N N 116.808 0.300 1 stop_ save_