data_10284 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the second homeobox domain of AT-binding transcription factor 1 (ATBF1) ; _BMRB_accession_number 10284 _BMRB_flat_file_name bmr10284.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 Tochio N. . . 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" 381 "13C chemical shifts" 285 "15N chemical shifts" 67 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 second 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 Tochio N. . . 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 second 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 second homeobox domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 70 _Mol_residue_sequence ; GSSGSSGRSSRTRFTDYQLR VLQDFFDANAYPKDDEFEQL SNLLNLPTRVIVVWFQNARQ KARKSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 SER 10 SER 11 ARG 12 THR 13 ARG 14 PHE 15 THR 16 ASP 17 TYR 18 GLN 19 LEU 20 ARG 21 VAL 22 LEU 23 GLN 24 ASP 25 PHE 26 PHE 27 ASP 28 ALA 29 ASN 30 ALA 31 TYR 32 PRO 33 LYS 34 ASP 35 ASP 36 GLU 37 PHE 38 GLU 39 GLN 40 LEU 41 SER 42 ASN 43 LEU 44 LEU 45 ASN 46 LEU 47 PRO 48 THR 49 ARG 50 VAL 51 ILE 52 VAL 53 VAL 54 TRP 55 PHE 56 GLN 57 ASN 58 ALA 59 ARG 60 GLN 61 LYS 62 ALA 63 ARG 64 LYS 65 SER 66 GLY 67 PRO 68 SER 69 SER 70 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 2DA2 "Solution Structure Of The Second Homeobox Domain Of At- Binding Transcription Factor 1 (Atbf1)" 100.00 70 100.00 100.00 4.35e-42 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 P050620-20 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 900 _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 296 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 second 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 10 10 SER HA H 4.461 0.030 1 2 10 10 SER HB2 H 3.861 0.030 1 3 10 10 SER HB3 H 3.861 0.030 1 4 10 10 SER C C 174.492 0.300 1 5 10 10 SER CA C 58.479 0.300 1 6 10 10 SER CB C 63.932 0.300 1 7 11 11 ARG H H 8.318 0.030 1 8 11 11 ARG HA H 4.391 0.030 1 9 11 11 ARG HB2 H 1.863 0.030 2 10 11 11 ARG HB3 H 1.764 0.030 2 11 11 11 ARG HD2 H 3.190 0.030 1 12 11 11 ARG HD3 H 3.190 0.030 1 13 11 11 ARG HG2 H 1.624 0.030 1 14 11 11 ARG HG3 H 1.624 0.030 1 15 11 11 ARG C C 176.264 0.300 1 16 11 11 ARG CA C 56.118 0.300 1 17 11 11 ARG CB C 30.849 0.300 1 18 11 11 ARG CD C 43.372 0.300 1 19 11 11 ARG CG C 26.973 0.300 1 20 11 11 ARG N N 122.795 0.300 1 21 12 12 THR H H 8.159 0.030 1 22 12 12 THR HA H 4.150 0.030 1 23 12 12 THR HB H 3.932 0.030 1 24 12 12 THR HG2 H 0.924 0.030 1 25 12 12 THR C C 173.740 0.300 1 26 12 12 THR CA C 62.463 0.300 1 27 12 12 THR CB C 69.770 0.300 1 28 12 12 THR CG2 C 21.548 0.300 1 29 12 12 THR N N 117.261 0.300 1 30 13 13 ARG H H 8.319 0.030 1 31 13 13 ARG HA H 4.332 0.030 1 32 13 13 ARG HB2 H 1.653 0.030 2 33 13 13 ARG HB3 H 1.709 0.030 2 34 13 13 ARG HD2 H 3.117 0.030 1 35 13 13 ARG HD3 H 3.117 0.030 1 36 13 13 ARG HG2 H 1.474 0.030 1 37 13 13 ARG HG3 H 1.474 0.030 1 38 13 13 ARG C C 175.560 0.300 1 39 13 13 ARG CA C 55.518 0.300 1 40 13 13 ARG CB C 30.763 0.300 1 41 13 13 ARG CD C 43.372 0.300 1 42 13 13 ARG CG C 26.830 0.300 1 43 13 13 ARG N N 125.163 0.300 1 44 14 14 PHE H H 8.195 0.030 1 45 14 14 PHE HA H 4.952 0.030 1 46 14 14 PHE HB2 H 2.760 0.030 2 47 14 14 PHE HB3 H 3.184 0.030 2 48 14 14 PHE HD1 H 7.105 0.030 1 49 14 14 PHE HD2 H 7.105 0.030 1 50 14 14 PHE HE1 H 7.140 0.030 1 51 14 14 PHE HE2 H 7.140 0.030 1 52 14 14 PHE HZ H 7.259 0.030 1 53 14 14 PHE C C 176.993 0.300 1 54 14 14 PHE CA C 56.859 0.300 1 55 14 14 PHE CB C 41.107 0.300 1 56 14 14 PHE CD1 C 131.235 0.300 1 57 14 14 PHE CD2 C 131.235 0.300 1 58 14 14 PHE CE1 C 131.180 0.300 1 59 14 14 PHE CE2 C 131.180 0.300 1 60 14 14 PHE CZ C 129.184 0.300 1 61 14 14 PHE N N 121.558 0.300 1 62 15 15 THR H H 8.999 0.030 1 63 15 15 THR HA H 4.491 0.030 1 64 15 15 THR HB H 4.808 0.030 1 65 15 15 THR HG2 H 1.358 0.030 1 66 15 15 THR C C 174.856 0.300 1 67 15 15 THR CA C 60.559 0.300 1 68 15 15 THR CB C 70.890 0.300 1 69 15 15 THR CG2 C 21.824 0.300 1 70 15 15 THR N N 113.369 0.300 1 71 16 16 ASP H H 8.906 0.030 1 72 16 16 ASP HA H 4.333 0.030 1 73 16 16 ASP HB2 H 2.696 0.030 1 74 16 16 ASP HB3 H 2.696 0.030 1 75 16 16 ASP C C 178.764 0.300 1 76 16 16 ASP CA C 57.911 0.300 1 77 16 16 ASP CB C 39.994 0.300 1 78 16 16 ASP N N 120.884 0.300 1 79 17 17 TYR H H 8.356 0.030 1 80 17 17 TYR HA H 4.211 0.030 1 81 17 17 TYR HB2 H 2.706 0.030 2 82 17 17 TYR HB3 H 3.267 0.030 2 83 17 17 TYR HD1 H 7.034 0.030 1 84 17 17 TYR HD2 H 7.034 0.030 1 85 17 17 TYR HE1 H 6.706 0.030 1 86 17 17 TYR HE2 H 6.706 0.030 1 87 17 17 TYR C C 176.264 0.300 1 88 17 17 TYR CA C 61.045 0.300 1 89 17 17 TYR CB C 38.666 0.300 1 90 17 17 TYR CD1 C 132.920 0.300 1 91 17 17 TYR CD2 C 132.920 0.300 1 92 17 17 TYR CE1 C 118.432 0.300 1 93 17 17 TYR CE2 C 118.432 0.300 1 94 17 17 TYR N N 119.909 0.300 1 95 18 18 GLN H H 7.582 0.030 1 96 18 18 GLN HA H 3.482 0.030 1 97 18 18 GLN HB2 H 1.517 0.030 2 98 18 18 GLN HB3 H 2.585 0.030 2 99 18 18 GLN HE21 H 7.631 0.030 2 100 18 18 GLN HE22 H 6.871 0.030 2 101 18 18 GLN HG2 H 2.769 0.030 2 102 18 18 GLN HG3 H 2.416 0.030 2 103 18 18 GLN C C 177.502 0.300 1 104 18 18 GLN CA C 58.726 0.300 1 105 18 18 GLN CB C 27.717 0.300 1 106 18 18 GLN CG C 34.969 0.300 1 107 18 18 GLN N N 116.647 0.300 1 108 18 18 GLN NE2 N 111.142 0.300 1 109 19 19 LEU H H 8.170 0.030 1 110 19 19 LEU HA H 3.508 0.030 1 111 19 19 LEU HB2 H 1.442 0.030 2 112 19 19 LEU HB3 H 1.711 0.030 2 113 19 19 LEU HD1 H 0.907 0.030 1 114 19 19 LEU HD2 H 0.717 0.030 1 115 19 19 LEU HG H 1.626 0.030 1 116 19 19 LEU C C 178.546 0.300 1 117 19 19 LEU CA C 57.625 0.300 1 118 19 19 LEU CB C 41.812 0.300 1 119 19 19 LEU CD1 C 25.123 0.300 2 120 19 19 LEU CD2 C 23.443 0.300 2 121 19 19 LEU CG C 26.795 0.300 1 122 19 19 LEU N N 115.406 0.300 1 123 20 20 ARG H H 7.792 0.030 1 124 20 20 ARG HA H 3.917 0.030 1 125 20 20 ARG HB2 H 1.850 0.030 2 126 20 20 ARG HB3 H 1.909 0.030 2 127 20 20 ARG HD2 H 3.187 0.030 2 128 20 20 ARG HG2 H 1.633 0.030 1 129 20 20 ARG HG3 H 1.633 0.030 1 130 20 20 ARG C C 178.036 0.300 1 131 20 20 ARG CA C 59.026 0.300 1 132 20 20 ARG CB C 29.861 0.300 1 133 20 20 ARG CD C 43.537 0.300 1 134 20 20 ARG CG C 26.812 0.300 1 135 20 20 ARG N N 120.360 0.300 1 136 21 21 VAL H H 7.601 0.030 1 137 21 21 VAL HA H 3.533 0.030 1 138 21 21 VAL HB H 1.679 0.030 1 139 21 21 VAL HG1 H 0.758 0.030 1 140 21 21 VAL HG2 H 0.484 0.030 1 141 21 21 VAL C C 179.541 0.300 1 142 21 21 VAL CA C 66.327 0.300 1 143 21 21 VAL CB C 31.509 0.300 1 144 21 21 VAL CG1 C 21.454 0.300 2 145 21 21 VAL CG2 C 22.115 0.300 2 146 21 21 VAL N N 119.151 0.300 1 147 22 22 LEU H H 7.898 0.030 1 148 22 22 LEU HA H 3.513 0.030 1 149 22 22 LEU HB2 H -0.779 0.030 2 150 22 22 LEU HB3 H 0.560 0.030 2 151 22 22 LEU HD1 H -0.663 0.030 1 152 22 22 LEU HD2 H 0.445 0.030 1 153 22 22 LEU HG H 1.175 0.030 1 154 22 22 LEU C C 177.527 0.300 1 155 22 22 LEU CA C 58.181 0.300 1 156 22 22 LEU CB C 38.573 0.300 1 157 22 22 LEU CD1 C 23.842 0.300 2 158 22 22 LEU CD2 C 23.735 0.300 2 159 22 22 LEU CG C 25.712 0.300 1 160 22 22 LEU N N 119.825 0.300 1 161 23 23 GLN H H 8.171 0.030 1 162 23 23 GLN HA H 3.925 0.030 1 163 23 23 GLN HB2 H 2.249 0.030 2 164 23 23 GLN HB3 H 2.104 0.030 2 165 23 23 GLN HE21 H 8.062 0.030 2 166 23 23 GLN HE22 H 6.510 0.030 2 167 23 23 GLN HG2 H 2.551 0.030 2 168 23 23 GLN HG3 H 2.393 0.030 2 169 23 23 GLN C C 178.061 0.300 1 170 23 23 GLN CA C 58.832 0.300 1 171 23 23 GLN CB C 28.769 0.300 1 172 23 23 GLN CG C 34.145 0.300 1 173 23 23 GLN N N 118.186 0.300 1 174 23 23 GLN NE2 N 114.674 0.300 1 175 24 24 ASP H H 8.446 0.030 1 176 24 24 ASP HA H 4.373 0.030 1 177 24 24 ASP HB2 H 2.580 0.030 2 178 24 24 ASP HB3 H 2.853 0.030 2 179 24 24 ASP C C 179.347 0.300 1 180 24 24 ASP CA C 57.294 0.300 1 181 24 24 ASP CB C 40.035 0.300 1 182 24 24 ASP N N 118.634 0.300 1 183 25 25 PHE H H 8.224 0.030 1 184 25 25 PHE HA H 4.062 0.030 1 185 25 25 PHE HB2 H 3.182 0.030 2 186 25 25 PHE HB3 H 3.515 0.030 2 187 25 25 PHE HD1 H 7.395 0.030 1 188 25 25 PHE HD2 H 7.395 0.030 1 189 25 25 PHE HE1 H 7.139 0.030 1 190 25 25 PHE HE2 H 7.139 0.030 1 191 25 25 PHE HZ H 7.062 0.030 1 192 25 25 PHE C C 177.891 0.300 1 193 25 25 PHE CA C 61.546 0.300 1 194 25 25 PHE CB C 39.246 0.300 1 195 25 25 PHE CD1 C 132.601 0.300 1 196 25 25 PHE CD2 C 132.601 0.300 1 197 25 25 PHE CE1 C 131.294 0.300 1 198 25 25 PHE CE2 C 131.294 0.300 1 199 25 25 PHE CZ C 129.522 0.300 1 200 25 25 PHE N N 121.633 0.300 1 201 26 26 PHE H H 9.167 0.030 1 202 26 26 PHE HA H 4.302 0.030 1 203 26 26 PHE HB2 H 3.298 0.030 2 204 26 26 PHE HB3 H 3.148 0.030 2 205 26 26 PHE HD1 H 7.189 0.030 1 206 26 26 PHE HD2 H 7.189 0.030 1 207 26 26 PHE HE1 H 7.190 0.030 1 208 26 26 PHE HE2 H 7.190 0.030 1 209 26 26 PHE HZ H 6.853 0.030 1 210 26 26 PHE C C 176.531 0.300 1 211 26 26 PHE CA C 61.476 0.300 1 212 26 26 PHE CB C 39.471 0.300 1 213 26 26 PHE CD1 C 131.986 0.300 1 214 26 26 PHE CD2 C 131.986 0.300 1 215 26 26 PHE CE1 C 131.106 0.300 1 216 26 26 PHE CE2 C 131.106 0.300 1 217 26 26 PHE CZ C 128.523 0.300 1 218 26 26 PHE N N 121.265 0.300 1 219 27 27 ASP H H 8.654 0.030 1 220 27 27 ASP HA H 4.238 0.030 1 221 27 27 ASP HB2 H 2.769 0.030 2 222 27 27 ASP HB3 H 2.637 0.030 2 223 27 27 ASP C C 177.429 0.300 1 224 27 27 ASP CA C 56.717 0.300 1 225 27 27 ASP CB C 40.406 0.300 1 226 27 27 ASP N N 116.555 0.300 1 227 28 28 ALA H H 7.262 0.030 1 228 28 28 ALA HA H 4.316 0.030 1 229 28 28 ALA HB H 1.278 0.030 1 230 28 28 ALA C C 177.891 0.300 1 231 28 28 ALA CA C 52.839 0.300 1 232 28 28 ALA CB C 19.698 0.300 1 233 28 28 ALA N N 120.441 0.300 1 234 29 29 ASN H H 8.346 0.030 1 235 29 29 ASN HA H 4.432 0.030 1 236 29 29 ASN HB2 H 2.571 0.030 2 237 29 29 ASN HB3 H 2.500 0.030 2 238 29 29 ASN HD21 H 7.328 0.030 2 239 29 29 ASN HD22 H 6.667 0.030 2 240 29 29 ASN C C 172.259 0.300 1 241 29 29 ASN CA C 52.943 0.300 1 242 29 29 ASN CB C 38.435 0.300 1 243 29 29 ASN N N 118.701 0.300 1 244 29 29 ASN ND2 N 111.313 0.300 1 245 30 30 ALA H H 8.177 0.030 1 246 30 30 ALA HA H 4.010 0.030 1 247 30 30 ALA HB H 0.836 0.030 1 248 30 30 ALA C C 176.798 0.300 1 249 30 30 ALA CA C 52.980 0.300 1 250 30 30 ALA CB C 19.233 0.300 1 251 30 30 ALA N N 124.112 0.300 1 252 31 31 TYR H H 7.984 0.030 1 253 31 31 TYR HA H 4.672 0.030 1 254 31 31 TYR HB2 H 2.994 0.030 2 255 31 31 TYR HB3 H 2.731 0.030 2 256 31 31 TYR HD1 H 7.125 0.030 1 257 31 31 TYR HD2 H 7.125 0.030 1 258 31 31 TYR HE1 H 6.810 0.030 1 259 31 31 TYR HE2 H 6.810 0.030 1 260 31 31 TYR C C 172.283 0.300 1 261 31 31 TYR CA C 55.483 0.300 1 262 31 31 TYR CB C 39.058 0.300 1 263 31 31 TYR CD1 C 133.708 0.300 1 264 31 31 TYR CD2 C 133.708 0.300 1 265 31 31 TYR CE1 C 117.919 0.300 1 266 31 31 TYR CE2 C 117.919 0.300 1 267 31 31 TYR N N 115.568 0.300 1 268 32 32 PRO HA H 4.249 0.030 1 269 32 32 PRO HB2 H -0.099 0.030 2 270 32 32 PRO HB3 H 1.272 0.030 2 271 32 32 PRO HD2 H 3.290 0.030 2 272 32 32 PRO HD3 H 2.708 0.030 2 273 32 32 PRO HG2 H 0.846 0.030 2 274 32 32 PRO HG3 H -0.039 0.030 2 275 32 32 PRO C C 176.871 0.300 1 276 32 32 PRO CA C 62.710 0.300 1 277 32 32 PRO CB C 29.959 0.300 1 278 32 32 PRO CD C 49.662 0.300 1 279 32 32 PRO CG C 27.472 0.300 1 280 33 33 LYS H H 9.168 0.030 1 281 33 33 LYS HA H 4.426 0.030 1 282 33 33 LYS HB2 H 1.727 0.030 2 283 33 33 LYS HB3 H 2.138 0.030 2 284 33 33 LYS HD2 H 1.773 0.030 2 285 33 33 LYS HD3 H 1.699 0.030 2 286 33 33 LYS HE2 H 3.041 0.030 1 287 33 33 LYS HE3 H 3.041 0.030 1 288 33 33 LYS HG2 H 1.647 0.030 2 289 33 33 LYS HG3 H 1.558 0.030 2 290 33 33 LYS C C 178.061 0.300 1 291 33 33 LYS CA C 55.236 0.300 1 292 33 33 LYS CB C 33.980 0.300 1 293 33 33 LYS CD C 28.901 0.300 1 294 33 33 LYS CE C 42.093 0.300 1 295 33 33 LYS CG C 25.412 0.300 1 296 33 33 LYS N N 121.451 0.300 1 297 34 34 ASP H H 9.017 0.030 1 298 34 34 ASP HA H 4.566 0.030 1 299 34 34 ASP HB2 H 2.719 0.030 2 300 34 34 ASP HB3 H 2.825 0.030 2 301 34 34 ASP C C 179.007 0.300 1 302 34 34 ASP CA C 58.973 0.300 1 303 34 34 ASP CB C 39.834 0.300 1 304 34 34 ASP N N 122.268 0.300 1 305 35 35 ASP H H 8.955 0.030 1 306 35 35 ASP HA H 4.408 0.030 1 307 35 35 ASP HB2 H 2.685 0.030 2 308 35 35 ASP HB3 H 2.610 0.030 2 309 35 35 ASP C C 178.837 0.300 1 310 35 35 ASP CA C 56.611 0.300 1 311 35 35 ASP CB C 39.609 0.300 1 312 35 35 ASP N N 116.861 0.300 1 313 36 36 GLU H H 7.208 0.030 1 314 36 36 GLU HA H 4.051 0.030 1 315 36 36 GLU HB2 H 1.734 0.030 2 316 36 36 GLU HB3 H 2.277 0.030 2 317 36 36 GLU HG2 H 2.305 0.030 2 318 36 36 GLU HG3 H 2.280 0.030 2 319 36 36 GLU C C 179.226 0.300 1 320 36 36 GLU CA C 58.761 0.300 1 321 36 36 GLU CB C 29.689 0.300 1 322 36 36 GLU CG C 37.808 0.300 1 323 36 36 GLU N N 121.585 0.300 1 324 37 37 PHE H H 7.997 0.030 1 325 37 37 PHE HA H 4.164 0.030 1 326 37 37 PHE HB2 H 2.872 0.030 2 327 37 37 PHE HB3 H 3.118 0.030 2 328 37 37 PHE HD1 H 6.924 0.030 1 329 37 37 PHE HD2 H 6.924 0.030 1 330 37 37 PHE HE1 H 6.907 0.030 1 331 37 37 PHE HE2 H 6.907 0.030 1 332 37 37 PHE HZ H 7.085 0.030 1 333 37 37 PHE C C 178.400 0.300 1 334 37 37 PHE CA C 61.915 0.300 1 335 37 37 PHE CB C 38.320 0.300 1 336 37 37 PHE CD1 C 130.513 0.300 1 337 37 37 PHE CD2 C 130.513 0.300 1 338 37 37 PHE CE1 C 131.913 0.300 1 339 37 37 PHE CE2 C 131.913 0.300 1 340 37 37 PHE CZ C 129.457 0.300 1 341 37 37 PHE N N 118.258 0.300 1 342 38 38 GLU H H 7.806 0.030 1 343 38 38 GLU HA H 4.027 0.030 1 344 38 38 GLU HB2 H 2.132 0.030 1 345 38 38 GLU HB3 H 2.132 0.030 1 346 38 38 GLU HG2 H 2.376 0.030 2 347 38 38 GLU HG3 H 2.323 0.030 2 348 38 38 GLU C C 178.764 0.300 1 349 38 38 GLU CA C 59.325 0.300 1 350 38 38 GLU CB C 29.083 0.300 1 351 38 38 GLU CG C 35.786 0.300 1 352 38 38 GLU N N 118.433 0.300 1 353 39 39 GLN H H 7.845 0.030 1 354 39 39 GLN HA H 4.149 0.030 1 355 39 39 GLN HB2 H 2.246 0.030 2 356 39 39 GLN HB3 H 2.207 0.030 2 357 39 39 GLN HE21 H 7.429 0.030 2 358 39 39 GLN HE22 H 6.832 0.030 2 359 39 39 GLN HG2 H 2.568 0.030 2 360 39 39 GLN HG3 H 2.423 0.030 2 361 39 39 GLN C C 179.541 0.300 1 362 39 39 GLN CA C 59.184 0.300 1 363 39 39 GLN CB C 28.097 0.300 1 364 39 39 GLN CG C 33.782 0.300 1 365 39 39 GLN N N 119.859 0.300 1 366 39 39 GLN NE2 N 111.090 0.300 1 367 40 40 LEU H H 8.130 0.030 1 368 40 40 LEU HA H 3.938 0.030 1 369 40 40 LEU HB2 H 1.139 0.030 2 370 40 40 LEU HB3 H 1.929 0.030 2 371 40 40 LEU HD1 H 0.116 0.030 1 372 40 40 LEU HD2 H 0.508 0.030 1 373 40 40 LEU HG H 1.363 0.030 1 374 40 40 LEU C C 178.158 0.300 1 375 40 40 LEU CA C 58.092 0.300 1 376 40 40 LEU CB C 43.194 0.300 1 377 40 40 LEU CD1 C 24.423 0.300 2 378 40 40 LEU CD2 C 22.623 0.300 2 379 40 40 LEU CG C 26.758 0.300 1 380 40 40 LEU N N 120.785 0.300 1 381 41 41 SER H H 8.241 0.030 1 382 41 41 SER HA H 4.251 0.030 1 383 41 41 SER HB2 H 4.068 0.030 2 384 41 41 SER HB3 H 4.050 0.030 2 385 41 41 SER C C 177.891 0.300 1 386 41 41 SER CA C 61.194 0.300 1 387 41 41 SER CB C 63.501 0.300 1 388 41 41 SER N N 114.804 0.300 1 389 42 42 ASN H H 7.969 0.030 1 390 42 42 ASN HA H 4.515 0.030 1 391 42 42 ASN HB2 H 2.901 0.030 2 392 42 42 ASN HB3 H 2.841 0.030 2 393 42 42 ASN HD21 H 7.096 0.030 2 394 42 42 ASN HD22 H 7.588 0.030 2 395 42 42 ASN C C 177.381 0.300 1 396 42 42 ASN CA C 55.871 0.300 1 397 42 42 ASN CB C 38.920 0.300 1 398 42 42 ASN N N 118.051 0.300 1 399 42 42 ASN ND2 N 113.360 0.300 1 400 43 43 LEU H H 8.169 0.030 1 401 43 43 LEU HA H 4.189 0.030 1 402 43 43 LEU HB2 H 1.787 0.030 1 403 43 43 LEU HB3 H 1.787 0.030 1 404 43 43 LEU HD1 H 0.978 0.030 1 405 43 43 LEU HD2 H 0.942 0.030 1 406 43 43 LEU HG H 1.655 0.030 1 407 43 43 LEU C C 178.837 0.300 1 408 43 43 LEU CA C 57.845 0.300 1 409 43 43 LEU CB C 43.382 0.300 1 410 43 43 LEU CD1 C 23.691 0.300 2 411 43 43 LEU CD2 C 25.525 0.300 2 412 43 43 LEU CG C 26.954 0.300 1 413 43 43 LEU N N 120.419 0.300 1 414 44 44 LEU H H 8.185 0.030 1 415 44 44 LEU HA H 4.445 0.030 1 416 44 44 LEU HB2 H 1.445 0.030 2 417 44 44 LEU HB3 H 1.766 0.030 2 418 44 44 LEU HD1 H 0.664 0.030 1 419 44 44 LEU HD2 H 0.759 0.030 1 420 44 44 LEU HG H 1.853 0.030 1 421 44 44 LEU C C 176.677 0.300 1 422 44 44 LEU CA C 54.397 0.300 1 423 44 44 LEU CB C 43.111 0.300 1 424 44 44 LEU CD1 C 25.882 0.300 2 425 44 44 LEU CD2 C 22.611 0.300 2 426 44 44 LEU CG C 26.667 0.300 1 427 44 44 LEU N N 113.030 0.300 1 428 45 45 ASN H H 8.100 0.030 1 429 45 45 ASN HA H 4.440 0.030 1 430 45 45 ASN HB2 H 2.741 0.030 2 431 45 45 ASN HB3 H 3.243 0.030 2 432 45 45 ASN HD21 H 7.482 0.030 2 433 45 45 ASN HD22 H 6.794 0.030 2 434 45 45 ASN C C 174.395 0.300 1 435 45 45 ASN CA C 54.073 0.300 1 436 45 45 ASN CB C 36.970 0.300 1 437 45 45 ASN N N 117.438 0.300 1 438 45 45 ASN ND2 N 111.417 0.300 1 439 46 46 LEU H H 7.476 0.030 1 440 46 46 LEU HA H 4.980 0.030 1 441 46 46 LEU HB2 H 1.175 0.030 2 442 46 46 LEU HB3 H 1.300 0.030 2 443 46 46 LEU HD1 H 0.636 0.030 1 444 46 46 LEU HD2 H 0.969 0.030 1 445 46 46 LEU HG H 1.554 0.030 1 446 46 46 LEU C C 173.691 0.300 1 447 46 46 LEU CA C 51.032 0.300 1 448 46 46 LEU CB C 46.668 0.300 1 449 46 46 LEU CD1 C 25.843 0.300 2 450 46 46 LEU CD2 C 23.438 0.300 2 451 46 46 LEU CG C 25.817 0.300 1 452 46 46 LEU N N 117.604 0.300 1 453 47 47 PRO HA H 4.515 0.030 1 454 47 47 PRO HB2 H 1.840 0.030 2 455 47 47 PRO HB3 H 2.538 0.030 2 456 47 47 PRO HD2 H 3.987 0.030 2 457 47 47 PRO HD3 H 3.416 0.030 2 458 47 47 PRO HG2 H 2.146 0.030 2 459 47 47 PRO HG3 H 2.082 0.030 2 460 47 47 PRO C C 177.915 0.300 1 461 47 47 PRO CA C 62.392 0.300 1 462 47 47 PRO CB C 32.592 0.300 1 463 47 47 PRO CD C 50.668 0.300 1 464 47 47 PRO CG C 27.767 0.300 1 465 48 48 THR H H 8.818 0.030 1 466 48 48 THR HA H 3.590 0.030 1 467 48 48 THR HB H 3.977 0.030 1 468 48 48 THR HG2 H 1.126 0.030 1 469 48 48 THR C C 176.628 0.300 1 470 48 48 THR CA C 67.384 0.300 1 471 48 48 THR CB C 67.996 0.300 1 472 48 48 THR CG2 C 23.107 0.300 1 473 48 48 THR N N 120.240 0.300 1 474 49 49 ARG H H 8.750 0.030 1 475 49 49 ARG HA H 3.899 0.030 1 476 49 49 ARG HB2 H 1.871 0.030 2 477 49 49 ARG HB3 H 1.734 0.030 2 478 49 49 ARG HD2 H 3.181 0.030 2 479 49 49 ARG HD3 H 3.129 0.030 2 480 49 49 ARG HG2 H 1.634 0.030 1 481 49 49 ARG HG3 H 1.634 0.030 1 482 49 49 ARG C C 178.012 0.300 1 483 49 49 ARG CA C 59.079 0.300 1 484 49 49 ARG CB C 29.474 0.300 1 485 49 49 ARG CD C 42.968 0.300 1 486 49 49 ARG CG C 26.660 0.300 1 487 49 49 ARG N N 117.541 0.300 1 488 50 50 VAL H H 6.994 0.030 1 489 50 50 VAL HA H 3.885 0.030 1 490 50 50 VAL HB H 2.374 0.030 1 491 50 50 VAL HG1 H 1.138 0.030 1 492 50 50 VAL HG2 H 1.143 0.030 1 493 50 50 VAL C C 178.400 0.300 1 494 50 50 VAL CA C 65.099 0.300 1 495 50 50 VAL CB C 31.909 0.300 1 496 50 50 VAL CG1 C 21.844 0.300 2 497 50 50 VAL CG2 C 22.507 0.300 2 498 50 50 VAL N N 115.765 0.300 1 499 51 51 ILE H H 7.358 0.030 1 500 51 51 ILE HA H 3.814 0.030 1 501 51 51 ILE HB H 2.106 0.030 1 502 51 51 ILE HD1 H 0.808 0.030 1 503 51 51 ILE HG12 H 1.723 0.030 2 504 51 51 ILE HG13 H 0.878 0.030 2 505 51 51 ILE HG2 H 1.247 0.030 1 506 51 51 ILE C C 177.648 0.300 1 507 51 51 ILE CA C 65.318 0.300 1 508 51 51 ILE CB C 38.017 0.300 1 509 51 51 ILE CD1 C 13.799 0.300 1 510 51 51 ILE CG1 C 28.642 0.300 1 511 51 51 ILE CG2 C 19.256 0.300 1 512 51 51 ILE N N 122.170 0.300 1 513 52 52 VAL H H 8.401 0.030 1 514 52 52 VAL HA H 3.290 0.030 1 515 52 52 VAL HB H 1.854 0.030 1 516 52 52 VAL HG1 H 0.689 0.030 1 517 52 52 VAL HG2 H -0.003 0.030 1 518 52 52 VAL C C 179.177 0.300 1 519 52 52 VAL CA C 67.021 0.300 1 520 52 52 VAL CB C 31.583 0.300 1 521 52 52 VAL CG1 C 20.656 0.300 2 522 52 52 VAL CG2 C 20.706 0.300 2 523 52 52 VAL N N 121.321 0.300 1 524 53 53 VAL H H 7.691 0.030 1 525 53 53 VAL HA H 3.711 0.030 1 526 53 53 VAL HB H 2.153 0.030 1 527 53 53 VAL HG1 H 1.002 0.030 1 528 53 53 VAL HG2 H 1.096 0.030 1 529 53 53 VAL C C 177.648 0.300 1 530 53 53 VAL CA C 66.531 0.300 1 531 53 53 VAL CB C 31.936 0.300 1 532 53 53 VAL CG1 C 21.510 0.300 2 533 53 53 VAL CG2 C 23.352 0.300 2 534 53 53 VAL N N 119.305 0.300 1 535 54 54 TRP H H 8.127 0.030 1 536 54 54 TRP HA H 4.016 0.030 1 537 54 54 TRP HB2 H 3.717 0.030 2 538 54 54 TRP HB3 H 3.290 0.030 2 539 54 54 TRP HD1 H 6.774 0.030 1 540 54 54 TRP HE1 H 9.156 0.030 1 541 54 54 TRP HE3 H 6.765 0.030 1 542 54 54 TRP HH2 H 6.202 0.030 1 543 54 54 TRP HZ2 H 6.979 0.030 1 544 54 54 TRP HZ3 H 5.620 0.030 1 545 54 54 TRP C C 180.100 0.300 1 546 54 54 TRP CA C 63.534 0.300 1 547 54 54 TRP CB C 28.747 0.300 1 548 54 54 TRP CD1 C 126.824 0.300 1 549 54 54 TRP CE3 C 120.802 0.300 1 550 54 54 TRP CH2 C 123.081 0.300 1 551 54 54 TRP CZ2 C 113.619 0.300 1 552 54 54 TRP CZ3 C 120.975 0.300 1 553 54 54 TRP N N 122.197 0.300 1 554 54 54 TRP NE1 N 127.494 0.300 1 555 55 55 PHE H H 8.964 0.030 1 556 55 55 PHE HA H 3.843 0.030 1 557 55 55 PHE HB2 H 3.212 0.030 2 558 55 55 PHE HB3 H 3.697 0.030 2 559 55 55 PHE HD1 H 7.967 0.030 1 560 55 55 PHE HD2 H 7.967 0.030 1 561 55 55 PHE HE1 H 7.546 0.030 1 562 55 55 PHE HE2 H 7.546 0.030 1 563 55 55 PHE HZ H 7.293 0.030 1 564 55 55 PHE C C 178.158 0.300 1 565 55 55 PHE CA C 63.309 0.300 1 566 55 55 PHE CB C 39.818 0.300 1 567 55 55 PHE CD1 C 132.257 0.300 1 568 55 55 PHE CD2 C 132.257 0.300 1 569 55 55 PHE CE1 C 132.063 0.300 1 570 55 55 PHE CE2 C 132.063 0.300 1 571 55 55 PHE CZ C 130.209 0.300 1 572 55 55 PHE N N 119.663 0.300 1 573 56 56 GLN H H 8.412 0.030 1 574 56 56 GLN HA H 3.984 0.030 1 575 56 56 GLN HB2 H 2.103 0.030 2 576 56 56 GLN HB3 H 2.379 0.030 2 577 56 56 GLN HE21 H 7.434 0.030 2 578 56 56 GLN HE22 H 6.779 0.030 2 579 56 56 GLN HG2 H 2.680 0.030 2 580 56 56 GLN HG3 H 2.428 0.030 2 581 56 56 GLN C C 179.420 0.300 1 582 56 56 GLN CA C 59.678 0.300 1 583 56 56 GLN CB C 27.981 0.300 1 584 56 56 GLN CG C 33.963 0.300 1 585 56 56 GLN N N 118.932 0.300 1 586 56 56 GLN NE2 N 110.645 0.300 1 587 57 57 ASN H H 8.358 0.030 1 588 57 57 ASN HA H 4.302 0.030 1 589 57 57 ASN HB2 H 2.462 0.030 2 590 57 57 ASN HB3 H 2.634 0.030 2 591 57 57 ASN HD21 H 6.887 0.030 2 592 57 57 ASN HD22 H 7.466 0.030 2 593 57 57 ASN C C 177.308 0.300 1 594 57 57 ASN CA C 55.836 0.300 1 595 57 57 ASN CB C 38.123 0.300 1 596 57 57 ASN N N 118.552 0.300 1 597 57 57 ASN ND2 N 113.194 0.300 1 598 58 58 ALA H H 8.097 0.030 1 599 58 58 ALA HA H 3.280 0.030 1 600 58 58 ALA HB H -0.379 0.030 1 601 58 58 ALA C C 180.512 0.300 1 602 58 58 ALA CA C 54.711 0.300 1 603 58 58 ALA CB C 16.685 0.300 1 604 58 58 ALA N N 125.426 0.300 1 605 59 59 ARG H H 8.104 0.030 1 606 59 59 ARG HA H 4.159 0.030 1 607 59 59 ARG HB2 H 2.087 0.030 2 608 59 59 ARG HB3 H 1.921 0.030 2 609 59 59 ARG HD2 H 2.953 0.030 1 610 59 59 ARG HD3 H 2.953 0.030 1 611 59 59 ARG HG2 H 2.325 0.030 2 612 59 59 ARG HG3 H 1.633 0.030 2 613 59 59 ARG C C 178.570 0.300 1 614 59 59 ARG CA C 59.916 0.300 1 615 59 59 ARG CB C 31.344 0.300 1 616 59 59 ARG CD C 44.196 0.300 1 617 59 59 ARG CG C 29.568 0.300 1 618 59 59 ARG N N 117.308 0.300 1 619 60 60 GLN H H 7.532 0.030 1 620 60 60 GLN HA H 4.118 0.030 1 621 60 60 GLN HB2 H 2.149 0.030 1 622 60 60 GLN HB3 H 2.149 0.030 1 623 60 60 GLN HE21 H 6.865 0.030 2 624 60 60 GLN HE22 H 7.429 0.030 2 625 60 60 GLN HG2 H 2.502 0.030 2 626 60 60 GLN HG3 H 2.412 0.030 2 627 60 60 GLN C C 178.036 0.300 1 628 60 60 GLN CA C 58.021 0.300 1 629 60 60 GLN CB C 28.460 0.300 1 630 60 60 GLN CG C 33.776 0.300 1 631 60 60 GLN N N 118.195 0.300 1 632 60 60 GLN NE2 N 111.883 0.300 1 633 61 61 LYS H H 7.738 0.030 1 634 61 61 LYS HA H 4.038 0.030 1 635 61 61 LYS HB2 H 1.751 0.030 2 636 61 61 LYS HB3 H 1.678 0.030 2 637 61 61 LYS HD2 H 1.509 0.030 1 638 61 61 LYS HD3 H 1.509 0.030 1 639 61 61 LYS HE2 H 2.820 0.030 1 640 61 61 LYS HE3 H 2.820 0.030 1 641 61 61 LYS HG2 H 1.336 0.030 2 642 61 61 LYS HG3 H 1.414 0.030 2 643 61 61 LYS C C 177.454 0.300 1 644 61 61 LYS CA C 57.938 0.300 1 645 61 61 LYS CB C 32.497 0.300 1 646 61 61 LYS CD C 29.099 0.300 1 647 61 61 LYS CE C 41.966 0.300 1 648 61 61 LYS CG C 24.859 0.300 1 649 61 61 LYS N N 119.476 0.300 1 650 62 62 ALA H H 7.699 0.030 1 651 62 62 ALA HA H 4.265 0.030 1 652 62 62 ALA HB H 1.517 0.030 1 653 62 62 ALA C C 177.818 0.300 1 654 62 62 ALA CA C 52.945 0.300 1 655 62 62 ALA CB C 18.904 0.300 1 656 62 62 ALA N N 121.322 0.300 1 657 63 63 ARG H H 7.831 0.030 1 658 63 63 ARG HA H 4.237 0.030 1 659 63 63 ARG HB2 H 1.897 0.030 1 660 63 63 ARG HB3 H 1.897 0.030 1 661 63 63 ARG HD2 H 3.229 0.030 2 662 63 63 ARG HG2 H 1.724 0.030 2 663 63 63 ARG HG3 H 1.663 0.030 2 664 63 63 ARG C C 176.580 0.300 1 665 63 63 ARG CA C 56.717 0.300 1 666 63 63 ARG CB C 30.124 0.300 1 667 63 63 ARG CD C 43.503 0.300 1 668 63 63 ARG CG C 27.282 0.300 1 669 63 63 ARG N N 118.592 0.300 1 670 64 64 LYS H H 8.213 0.030 1 671 64 64 LYS HA H 4.365 0.030 1 672 64 64 LYS HB2 H 1.914 0.030 2 673 64 64 LYS HB3 H 1.778 0.030 2 674 64 64 LYS HD2 H 1.671 0.030 1 675 64 64 LYS HD3 H 1.671 0.030 1 676 64 64 LYS HE2 H 2.981 0.030 1 677 64 64 LYS HE3 H 2.981 0.030 1 678 64 64 LYS HG2 H 1.474 0.030 1 679 64 64 LYS HG3 H 1.474 0.030 1 680 64 64 LYS C C 176.677 0.300 1 681 64 64 LYS CA C 56.329 0.300 1 682 64 64 LYS CB C 32.906 0.300 1 683 64 64 LYS CD C 29.037 0.300 1 684 64 64 LYS CE C 42.164 0.300 1 685 64 64 LYS CG C 24.853 0.300 1 686 64 64 LYS N N 121.456 0.300 1 687 65 65 SER H H 8.289 0.030 1 688 65 65 SER HA H 4.510 0.030 1 689 65 65 SER HB2 H 3.883 0.030 1 690 65 65 SER HB3 H 3.883 0.030 1 691 65 65 SER C C 174.492 0.300 1 692 65 65 SER CA C 58.303 0.300 1 693 65 65 SER CB C 64.052 0.300 1 694 65 65 SER N N 116.719 0.300 1 695 66 66 GLY H H 8.242 0.030 1 696 66 66 GLY HA2 H 4.120 0.030 2 697 66 66 GLY HA3 H 4.148 0.030 2 698 66 66 GLY C C 171.798 0.300 1 699 66 66 GLY CA C 44.687 0.300 1 700 66 66 GLY N N 110.632 0.300 1 701 67 67 PRO HA H 4.458 0.030 1 702 67 67 PRO HB2 H 1.972 0.030 2 703 67 67 PRO HB3 H 2.274 0.030 2 704 67 67 PRO HD2 H 3.589 0.030 2 705 67 67 PRO HD3 H 3.624 0.030 2 706 67 67 PRO HG2 H 2.003 0.030 1 707 67 67 PRO HG3 H 2.003 0.030 1 708 67 67 PRO C C 177.429 0.300 1 709 67 67 PRO CA C 63.309 0.300 1 710 67 67 PRO CB C 32.200 0.300 1 711 67 67 PRO CD C 49.781 0.300 1 712 67 67 PRO CG C 27.142 0.300 1 713 68 68 SER H H 8.535 0.030 1 714 68 68 SER HA H 4.482 0.030 1 715 68 68 SER HB2 H 3.896 0.030 1 716 68 68 SER HB3 H 3.896 0.030 1 717 68 68 SER C C 174.638 0.300 1 718 68 68 SER CA C 58.444 0.300 1 719 68 68 SER CB C 63.838 0.300 1 720 68 68 SER N N 116.359 0.300 1 721 69 69 SER H H 8.300 0.030 1 722 69 69 SER HA H 4.477 0.030 1 723 69 69 SER HB2 H 3.878 0.030 1 724 69 69 SER HB3 H 3.878 0.030 1 725 69 69 SER C C 173.934 0.300 1 726 69 69 SER CA C 58.374 0.300 1 727 69 69 SER CB C 64.134 0.300 1 728 69 69 SER N N 117.715 0.300 1 729 70 70 GLY H H 8.049 0.030 1 730 70 70 GLY HA2 H 4.479 0.030 2 731 70 70 GLY C C 179.007 0.300 1 732 70 70 GLY CA C 46.177 0.300 1 733 70 70 GLY N N 116.845 0.300 1 stop_ save_