data_10287 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the second homeobox domain of Zinc fingers and homeoboxes protein 3 (Triple homeobox 1 protein) ; _BMRB_accession_number 10287 _BMRB_flat_file_name bmr10287.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 Saito K. . . 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" 420 "13C chemical shifts" 302 "15N chemical shifts" 69 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 Zinc fingers and homeoboxes protein 3 (Triple homeobox 1 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 Ohnishi S. . . 2 Kigawa T. . . 3 Saito K. . . 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 'Zinc fingers and homeoboxes protein 3' _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 75 _Mol_residue_sequence ; GSSGSSGPTKYKERAPEQLR ALESSFAQNPLPLDEELDRL RSETKMTRREIDSWFSERRK KVNAEETKKSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 THR 10 LYS 11 TYR 12 LYS 13 GLU 14 ARG 15 ALA 16 PRO 17 GLU 18 GLN 19 LEU 20 ARG 21 ALA 22 LEU 23 GLU 24 SER 25 SER 26 PHE 27 ALA 28 GLN 29 ASN 30 PRO 31 LEU 32 PRO 33 LEU 34 ASP 35 GLU 36 GLU 37 LEU 38 ASP 39 ARG 40 LEU 41 ARG 42 SER 43 GLU 44 THR 45 LYS 46 MET 47 THR 48 ARG 49 ARG 50 GLU 51 ILE 52 ASP 53 SER 54 TRP 55 PHE 56 SER 57 GLU 58 ARG 59 ARG 60 LYS 61 LYS 62 VAL 63 ASN 64 ALA 65 GLU 66 GLU 67 THR 68 LYS 69 LYS 70 SER 71 GLY 72 PRO 73 SER 74 SER 75 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 2DA5 "Solution Structure Of The Second Homeobox Domain Of Zinc Fingers And Homeoboxes Protein 3 (Triple Homeobox 1 Protein)" 100.00 75 100.00 100.00 3.74e-44 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 P050404-23 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 1.2 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 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 98K) 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 7 7 GLY HA2 H 4.146 0.030 2 2 7 7 GLY CA C 44.691 0.300 1 3 8 8 PRO HA H 4.512 0.030 1 4 8 8 PRO HB2 H 1.952 0.030 2 5 8 8 PRO HB3 H 2.319 0.030 2 6 8 8 PRO HD2 H 3.658 0.030 1 7 8 8 PRO HD3 H 3.658 0.030 1 8 8 8 PRO HG2 H 2.037 0.030 1 9 8 8 PRO HG3 H 2.037 0.030 1 10 8 8 PRO C C 177.365 0.300 1 11 8 8 PRO CA C 63.297 0.300 1 12 8 8 PRO CB C 32.239 0.300 1 13 8 8 PRO CD C 49.853 0.300 1 14 8 8 PRO CG C 27.198 0.300 1 15 9 9 THR H H 8.295 0.030 1 16 9 9 THR HA H 4.271 0.030 1 17 9 9 THR HB H 4.140 0.030 1 18 9 9 THR HG2 H 1.167 0.030 1 19 9 9 THR C C 174.452 0.300 1 20 9 9 THR CA C 62.276 0.300 1 21 9 9 THR CB C 69.790 0.300 1 22 9 9 THR CG2 C 21.721 0.300 1 23 9 9 THR N N 114.885 0.300 1 24 10 10 LYS H H 8.284 0.030 1 25 10 10 LYS HA H 4.281 0.030 1 26 10 10 LYS HB2 H 1.679 0.030 1 27 10 10 LYS HB3 H 1.679 0.030 1 28 10 10 LYS HD2 H 1.646 0.030 1 29 10 10 LYS HD3 H 1.646 0.030 1 30 10 10 LYS HE2 H 2.975 0.030 2 31 10 10 LYS HG2 H 1.295 0.030 1 32 10 10 LYS HG3 H 1.295 0.030 1 33 10 10 LYS C C 176.103 0.300 1 34 10 10 LYS CA C 56.316 0.300 1 35 10 10 LYS CB C 33.062 0.300 1 36 10 10 LYS CD C 29.069 0.300 1 37 10 10 LYS CE C 42.142 0.300 1 38 10 10 LYS CG C 24.625 0.300 1 39 10 10 LYS N N 123.812 0.300 1 40 11 11 TYR H H 8.198 0.030 1 41 11 11 TYR HA H 4.569 0.030 1 42 11 11 TYR HB2 H 2.957 0.030 2 43 11 11 TYR HB3 H 3.054 0.030 2 44 11 11 TYR HD1 H 7.140 0.030 1 45 11 11 TYR HD2 H 7.140 0.030 1 46 11 11 TYR HE1 H 6.845 0.030 1 47 11 11 TYR HE2 H 6.845 0.030 1 48 11 11 TYR C C 175.496 0.300 1 49 11 11 TYR CA C 58.044 0.300 1 50 11 11 TYR CB C 38.842 0.300 1 51 11 11 TYR CD1 C 133.239 0.300 1 52 11 11 TYR CD2 C 133.239 0.300 1 53 11 11 TYR CE1 C 118.228 0.300 1 54 11 11 TYR CE2 C 118.228 0.300 1 55 11 11 TYR N N 121.375 0.300 1 56 12 12 LYS H H 8.168 0.030 1 57 12 12 LYS HA H 4.255 0.030 1 58 12 12 LYS HB2 H 1.794 0.030 2 59 12 12 LYS HB3 H 1.721 0.030 2 60 12 12 LYS HD2 H 1.702 0.030 1 61 12 12 LYS HD3 H 1.702 0.030 1 62 12 12 LYS HE2 H 3.017 0.030 1 63 12 12 LYS HE3 H 3.017 0.030 1 64 12 12 LYS HG2 H 1.392 0.030 1 65 12 12 LYS HG3 H 1.392 0.030 1 66 12 12 LYS C C 175.861 0.300 1 67 12 12 LYS CA C 56.050 0.300 1 68 12 12 LYS CB C 33.145 0.300 1 69 12 12 LYS CD C 29.157 0.300 1 70 12 12 LYS CE C 42.164 0.300 1 71 12 12 LYS CG C 24.790 0.300 1 72 12 12 LYS N N 123.375 0.300 1 73 13 13 GLU H H 8.386 0.030 1 74 13 13 GLU HA H 4.285 0.030 1 75 13 13 GLU HB2 H 2.055 0.030 2 76 13 13 GLU HB3 H 1.957 0.030 2 77 13 13 GLU HG2 H 2.324 0.030 1 78 13 13 GLU HG3 H 2.324 0.030 1 79 13 13 GLU C C 176.419 0.300 1 80 13 13 GLU CA C 56.519 0.300 1 81 13 13 GLU CB C 30.261 0.300 1 82 13 13 GLU CG C 36.325 0.300 1 83 13 13 GLU N N 122.385 0.300 1 84 14 14 ARG H H 8.451 0.030 1 85 14 14 ARG HA H 4.424 0.030 1 86 14 14 ARG HB2 H 1.828 0.030 2 87 14 14 ARG HB3 H 1.796 0.030 2 88 14 14 ARG HD2 H 3.125 0.030 2 89 14 14 ARG HD3 H 3.160 0.030 2 90 14 14 ARG HG2 H 1.687 0.030 2 91 14 14 ARG HG3 H 1.744 0.030 2 92 14 14 ARG C C 175.230 0.300 1 93 14 14 ARG CA C 55.188 0.300 1 94 14 14 ARG CB C 31.003 0.300 1 95 14 14 ARG CD C 43.163 0.300 1 96 14 14 ARG CG C 27.015 0.300 1 97 14 14 ARG N N 121.822 0.300 1 98 15 15 ALA H H 8.444 0.030 1 99 15 15 ALA HA H 4.633 0.030 1 100 15 15 ALA HB H 1.497 0.030 1 101 15 15 ALA C C 176.808 0.300 1 102 15 15 ALA CA C 50.852 0.300 1 103 15 15 ALA CB C 17.938 0.300 1 104 15 15 ALA N N 125.225 0.300 1 105 16 16 PRO HA H 4.240 0.030 1 106 16 16 PRO HB2 H 1.965 0.030 2 107 16 16 PRO HB3 H 2.421 0.030 2 108 16 16 PRO HD2 H 3.931 0.030 2 109 16 16 PRO HD3 H 3.844 0.030 2 110 16 16 PRO HG2 H 2.116 0.030 2 111 16 16 PRO HG3 H 2.229 0.030 2 112 16 16 PRO C C 178.993 0.300 1 113 16 16 PRO CA C 65.731 0.300 1 114 16 16 PRO CB C 31.966 0.300 1 115 16 16 PRO CD C 50.498 0.300 1 116 16 16 PRO CG C 27.817 0.300 1 117 17 17 GLU H H 9.453 0.030 1 118 17 17 GLU HA H 4.051 0.030 1 119 17 17 GLU HB2 H 2.054 0.030 1 120 17 17 GLU HB3 H 2.054 0.030 1 121 17 17 GLU HG2 H 2.361 0.030 1 122 17 17 GLU HG3 H 2.361 0.030 1 123 17 17 GLU C C 179.550 0.300 1 124 17 17 GLU CA C 59.568 0.300 1 125 17 17 GLU CB C 28.613 0.300 1 126 17 17 GLU CG C 36.383 0.300 1 127 17 17 GLU N N 116.527 0.300 1 128 18 18 GLN H H 7.529 0.030 1 129 18 18 GLN HA H 4.036 0.030 1 130 18 18 GLN HB2 H 1.917 0.030 2 131 18 18 GLN HB3 H 2.460 0.030 2 132 18 18 GLN HE21 H 7.870 0.030 2 133 18 18 GLN HE22 H 7.078 0.030 2 134 18 18 GLN HG2 H 2.356 0.030 2 135 18 18 GLN HG3 H 2.508 0.030 2 136 18 18 GLN C C 176.977 0.300 1 137 18 18 GLN CA C 58.785 0.300 1 138 18 18 GLN CB C 28.860 0.300 1 139 18 18 GLN CG C 35.011 0.300 1 140 18 18 GLN N N 119.048 0.300 1 141 18 18 GLN NE2 N 112.892 0.300 1 142 19 19 LEU H H 7.664 0.030 1 143 19 19 LEU HA H 3.755 0.030 1 144 19 19 LEU HB2 H 1.659 0.030 1 145 19 19 LEU HB3 H 1.659 0.030 1 146 19 19 LEU HD1 H 0.993 0.030 1 147 19 19 LEU HD2 H 0.906 0.030 1 148 19 19 LEU HG H 1.594 0.030 1 149 19 19 LEU C C 178.410 0.300 1 150 19 19 LEU CA C 57.516 0.300 1 151 19 19 LEU CB C 41.276 0.300 1 152 19 19 LEU CD1 C 24.890 0.300 2 153 19 19 LEU CD2 C 23.471 0.300 2 154 19 19 LEU CG C 26.738 0.300 1 155 19 19 LEU N N 117.171 0.300 1 156 20 20 ARG H H 8.188 0.030 1 157 20 20 ARG HA H 3.998 0.030 1 158 20 20 ARG HB2 H 1.804 0.030 2 159 20 20 ARG HB3 H 1.857 0.030 2 160 20 20 ARG HD2 H 3.223 0.030 1 161 20 20 ARG HD3 H 3.223 0.030 1 162 20 20 ARG HG2 H 1.608 0.030 2 163 20 20 ARG HG3 H 1.742 0.030 2 164 20 20 ARG C C 178.993 0.300 1 165 20 20 ARG CA C 59.333 0.300 1 166 20 20 ARG CB C 30.096 0.300 1 167 20 20 ARG CD C 43.413 0.300 1 168 20 20 ARG CG C 27.262 0.300 1 169 20 20 ARG N N 117.090 0.300 1 170 21 21 ALA H H 7.176 0.030 1 171 21 21 ALA HA H 4.092 0.030 1 172 21 21 ALA HB H 1.354 0.030 1 173 21 21 ALA C C 180.571 0.300 1 174 21 21 ALA CA C 54.941 0.300 1 175 21 21 ALA CB C 17.858 0.300 1 176 21 21 ALA N N 121.201 0.300 1 177 22 22 LEU H H 7.528 0.030 1 178 22 22 LEU HA H 3.576 0.030 1 179 22 22 LEU HB2 H -0.842 0.030 2 180 22 22 LEU HB3 H 0.678 0.030 2 181 22 22 LEU HD1 H -0.282 0.030 1 182 22 22 LEU HD2 H 0.585 0.030 1 183 22 22 LEU HG H 1.361 0.030 1 184 22 22 LEU C C 177.779 0.300 1 185 22 22 LEU CA C 58.185 0.300 1 186 22 22 LEU CB C 38.666 0.300 1 187 22 22 LEU CD1 C 23.762 0.300 2 188 22 22 LEU CD2 C 22.678 0.300 2 189 22 22 LEU CG C 25.886 0.300 1 190 22 22 LEU N N 119.669 0.300 1 191 23 23 GLU H H 8.516 0.030 1 192 23 23 GLU HA H 4.221 0.030 1 193 23 23 GLU HB2 H 2.088 0.030 1 194 23 23 GLU HB3 H 2.088 0.030 1 195 23 23 GLU HG2 H 2.454 0.030 1 196 23 23 GLU HG3 H 2.454 0.030 1 197 23 23 GLU C C 180.352 0.300 1 198 23 23 GLU CA C 59.489 0.300 1 199 23 23 GLU CB C 29.317 0.300 1 200 23 23 GLU CG C 35.831 0.300 1 201 23 23 GLU N N 117.420 0.300 1 202 24 24 SER H H 8.209 0.030 1 203 24 24 SER HA H 4.303 0.030 1 204 24 24 SER HB2 H 3.994 0.030 2 205 24 24 SER HB3 H 3.948 0.030 2 206 24 24 SER C C 176.710 0.300 1 207 24 24 SER CA C 61.852 0.300 1 208 24 24 SER CB C 62.767 0.300 1 209 24 24 SER N N 114.551 0.300 1 210 25 25 SER H H 7.396 0.030 1 211 25 25 SER HA H 4.388 0.030 1 212 25 25 SER HB2 H 4.046 0.030 2 213 25 25 SER HB3 H 4.297 0.030 2 214 25 25 SER C C 177.415 0.300 1 215 25 25 SER CA C 61.428 0.300 1 216 25 25 SER CB C 63.319 0.300 1 217 25 25 SER N N 115.081 0.300 1 218 26 26 PHE H H 9.019 0.030 1 219 26 26 PHE HA H 4.201 0.030 1 220 26 26 PHE HB2 H 3.216 0.030 2 221 26 26 PHE HB3 H 3.253 0.030 2 222 26 26 PHE HD1 H 7.283 0.030 1 223 26 26 PHE HD2 H 7.283 0.030 1 224 26 26 PHE HE1 H 7.350 0.030 1 225 26 26 PHE HE2 H 7.350 0.030 1 226 26 26 PHE HZ H 7.137 0.030 1 227 26 26 PHE C C 176.419 0.300 1 228 26 26 PHE CA C 62.239 0.300 1 229 26 26 PHE CB C 39.437 0.300 1 230 26 26 PHE CD1 C 131.995 0.300 1 231 26 26 PHE CD2 C 131.995 0.300 1 232 26 26 PHE CE1 C 131.399 0.300 1 233 26 26 PHE CE2 C 131.399 0.300 1 234 26 26 PHE CZ C 129.615 0.300 1 235 26 26 PHE N N 120.609 0.300 1 236 27 27 ALA H H 8.045 0.030 1 237 27 27 ALA HA H 4.062 0.030 1 238 27 27 ALA HB H 1.585 0.030 1 239 27 27 ALA C C 179.478 0.300 1 240 27 27 ALA CA C 53.940 0.300 1 241 27 27 ALA CB C 18.395 0.300 1 242 27 27 ALA N N 116.245 0.300 1 243 28 28 GLN H H 7.416 0.030 1 244 28 28 GLN HA H 4.198 0.030 1 245 28 28 GLN HB2 H 2.350 0.030 2 246 28 28 GLN HB3 H 2.278 0.030 2 247 28 28 GLN HE21 H 7.454 0.030 2 248 28 28 GLN HE22 H 6.877 0.030 2 249 28 28 GLN HG2 H 2.571 0.030 2 250 28 28 GLN HG3 H 2.456 0.030 2 251 28 28 GLN C C 177.124 0.300 1 252 28 28 GLN CA C 57.586 0.300 1 253 28 28 GLN CB C 29.250 0.300 1 254 28 28 GLN CG C 34.023 0.300 1 255 28 28 GLN N N 115.857 0.300 1 256 28 28 GLN NE2 N 112.141 0.300 1 257 29 29 ASN H H 8.006 0.030 1 258 29 29 ASN HA H 4.780 0.030 1 259 29 29 ASN HB2 H 3.012 0.030 2 260 29 29 ASN HB3 H 2.786 0.030 2 261 29 29 ASN HD21 H 7.527 0.030 2 262 29 29 ASN HD22 H 6.432 0.030 2 263 29 29 ASN C C 172.728 0.300 1 264 29 29 ASN CA C 51.028 0.300 1 265 29 29 ASN CB C 39.656 0.300 1 266 29 29 ASN N N 114.892 0.300 1 267 29 29 ASN ND2 N 111.209 0.300 1 268 30 30 PRO HA H 4.218 0.030 1 269 30 30 PRO HB2 H 1.446 0.030 2 270 30 30 PRO HB3 H 1.845 0.030 2 271 30 30 PRO HD2 H 3.872 0.030 2 272 30 30 PRO HD3 H 3.442 0.030 2 273 30 30 PRO HG2 H 1.753 0.030 1 274 30 30 PRO HG3 H 1.753 0.030 1 275 30 30 PRO C C 174.525 0.300 1 276 30 30 PRO CA C 63.827 0.300 1 277 30 30 PRO CB C 33.212 0.300 1 278 30 30 PRO CD C 50.639 0.300 1 279 30 30 PRO CG C 26.355 0.300 1 280 31 31 LEU H H 7.568 0.030 1 281 31 31 LEU HA H 4.709 0.030 1 282 31 31 LEU HB2 H 1.566 0.030 2 283 31 31 LEU HB3 H 1.455 0.030 2 284 31 31 LEU HD1 H 0.871 0.030 1 285 31 31 LEU HD2 H 0.915 0.030 1 286 31 31 LEU HG H 1.428 0.030 1 287 31 31 LEU C C 172.607 0.300 1 288 31 31 LEU CA C 51.944 0.300 1 289 31 31 LEU CB C 42.822 0.300 1 290 31 31 LEU CD1 C 23.794 0.300 2 291 31 31 LEU CD2 C 25.462 0.300 2 292 31 31 LEU CG C 26.608 0.300 1 293 31 31 LEU N N 120.819 0.300 1 294 32 32 PRO HA H 4.073 0.030 1 295 32 32 PRO HB2 H 1.506 0.030 2 296 32 32 PRO HB3 H 2.348 0.030 2 297 32 32 PRO HD2 H 3.196 0.030 2 298 32 32 PRO HD3 H 3.253 0.030 2 299 32 32 PRO HG2 H 0.532 0.030 2 300 32 32 PRO HG3 H 1.198 0.030 2 301 32 32 PRO C C 177.293 0.300 1 302 32 32 PRO CA C 62.627 0.300 1 303 32 32 PRO CB C 31.663 0.300 1 304 32 32 PRO CD C 51.240 0.300 1 305 32 32 PRO CG C 26.520 0.300 1 306 33 33 LEU H H 8.254 0.030 1 307 33 33 LEU HA H 4.410 0.030 1 308 33 33 LEU HB2 H 1.879 0.030 2 309 33 33 LEU HB3 H 1.720 0.030 2 310 33 33 LEU HD1 H 0.981 0.030 1 311 33 33 LEU HD2 H 0.930 0.030 1 312 33 33 LEU HG H 1.780 0.030 1 313 33 33 LEU C C 178.312 0.300 1 314 33 33 LEU CA C 53.742 0.300 1 315 33 33 LEU CB C 42.620 0.300 1 316 33 33 LEU CD1 C 25.340 0.300 2 317 33 33 LEU CD2 C 22.448 0.300 2 318 33 33 LEU CG C 27.340 0.300 1 319 33 33 LEU N N 119.030 0.300 1 320 34 34 ASP H H 8.532 0.030 1 321 34 34 ASP HA H 4.187 0.030 1 322 34 34 ASP HB2 H 2.680 0.030 2 323 34 34 ASP HB3 H 2.608 0.030 2 324 34 34 ASP C C 177.731 0.300 1 325 34 34 ASP CA C 58.678 0.300 1 326 34 34 ASP CB C 40.871 0.300 1 327 34 34 ASP N N 120.283 0.300 1 328 35 35 GLU H H 8.841 0.030 1 329 35 35 GLU HA H 4.135 0.030 1 330 35 35 GLU HB2 H 2.097 0.030 2 331 35 35 GLU HB3 H 2.023 0.030 2 332 35 35 GLU HG2 H 2.352 0.030 1 333 35 35 GLU HG3 H 2.352 0.030 1 334 35 35 GLU C C 178.919 0.300 1 335 35 35 GLU CA C 59.801 0.300 1 336 35 35 GLU CB C 28.860 0.300 1 337 35 35 GLU CG C 36.408 0.300 1 338 35 35 GLU N N 116.076 0.300 1 339 36 36 GLU H H 7.242 0.030 1 340 36 36 GLU HA H 4.762 0.030 1 341 36 36 GLU HB2 H 2.120 0.030 2 342 36 36 GLU HB3 H 1.919 0.030 2 343 36 36 GLU HG2 H 2.643 0.030 2 344 36 36 GLU HG3 H 2.054 0.030 2 345 36 36 GLU C C 178.264 0.300 1 346 36 36 GLU CA C 57.303 0.300 1 347 36 36 GLU CB C 28.799 0.300 1 348 36 36 GLU CG C 33.303 0.300 1 349 36 36 GLU N N 121.997 0.300 1 350 37 37 LEU H H 7.778 0.030 1 351 37 37 LEU HA H 3.956 0.030 1 352 37 37 LEU HB2 H 1.950 0.030 2 353 37 37 LEU HB3 H 1.235 0.030 2 354 37 37 LEU HD1 H 0.753 0.030 1 355 37 37 LEU HD2 H 0.533 0.030 1 356 37 37 LEU HG H 1.369 0.030 1 357 37 37 LEU C C 179.381 0.300 1 358 37 37 LEU CA C 58.608 0.300 1 359 37 37 LEU CB C 41.227 0.300 1 360 37 37 LEU CD1 C 25.733 0.300 2 361 37 37 LEU CD2 C 23.494 0.300 2 362 37 37 LEU CG C 27.000 0.300 1 363 37 37 LEU N N 120.816 0.300 1 364 38 38 ASP H H 8.446 0.030 1 365 38 38 ASP HA H 4.455 0.030 1 366 38 38 ASP HB2 H 2.751 0.030 2 367 38 38 ASP HB3 H 2.676 0.030 2 368 38 38 ASP C C 179.162 0.300 1 369 38 38 ASP CA C 57.550 0.300 1 370 38 38 ASP CB C 40.313 0.300 1 371 38 38 ASP N N 118.274 0.300 1 372 39 39 ARG H H 7.964 0.030 1 373 39 39 ARG HA H 4.066 0.030 1 374 39 39 ARG HB2 H 2.126 0.030 2 375 39 39 ARG HB3 H 2.013 0.030 2 376 39 39 ARG HD2 H 3.025 0.030 2 377 39 39 ARG HD3 H 3.436 0.030 2 378 39 39 ARG HE H 8.588 0.030 1 379 39 39 ARG HG2 H 1.731 0.030 2 380 39 39 ARG HG3 H 1.525 0.030 2 381 39 39 ARG C C 179.867 0.300 1 382 39 39 ARG CA C 59.801 0.300 1 383 39 39 ARG CB C 29.849 0.300 1 384 39 39 ARG CD C 42.490 0.300 1 385 39 39 ARG CG C 26.939 0.300 1 386 39 39 ARG N N 123.855 0.300 1 387 39 39 ARG NE N 96.363 0.300 1 388 40 40 LEU H H 8.686 0.030 1 389 40 40 LEU HA H 4.045 0.030 1 390 40 40 LEU HB2 H 1.282 0.030 2 391 40 40 LEU HB3 H 2.240 0.030 2 392 40 40 LEU HD1 H 1.182 0.030 1 393 40 40 LEU HD2 H 0.860 0.030 1 394 40 40 LEU HG H 1.862 0.030 1 395 40 40 LEU C C 180.716 0.300 1 396 40 40 LEU CA C 57.782 0.300 1 397 40 40 LEU CB C 43.153 0.300 1 398 40 40 LEU CD1 C 26.355 0.300 2 399 40 40 LEU CD2 C 23.477 0.300 2 400 40 40 LEU CG C 27.206 0.300 1 401 40 40 LEU N N 118.936 0.300 1 402 41 41 ARG H H 8.500 0.030 1 403 41 41 ARG HA H 4.078 0.030 1 404 41 41 ARG HB2 H 1.862 0.030 2 405 41 41 ARG HB3 H 2.205 0.030 2 406 41 41 ARG HD2 H 3.175 0.030 2 407 41 41 ARG HD3 H 3.322 0.030 2 408 41 41 ARG HG2 H 2.057 0.030 2 409 41 41 ARG HG3 H 1.680 0.030 2 410 41 41 ARG C C 178.702 0.300 1 411 41 41 ARG CA C 60.336 0.300 1 412 41 41 ARG CB C 29.767 0.300 1 413 41 41 ARG CD C 44.014 0.300 1 414 41 41 ARG CG C 26.355 0.300 1 415 41 41 ARG N N 125.386 0.300 1 416 42 42 SER H H 7.762 0.030 1 417 42 42 SER HA H 4.238 0.030 1 418 42 42 SER HB2 H 4.071 0.030 1 419 42 42 SER HB3 H 4.071 0.030 1 420 42 42 SER C C 176.030 0.300 1 421 42 42 SER CA C 61.535 0.300 1 422 42 42 SER CB C 62.892 0.300 1 423 42 42 SER N N 114.493 0.300 1 424 43 43 GLU H H 8.031 0.030 1 425 43 43 GLU HA H 4.220 0.030 1 426 43 43 GLU HB2 H 2.065 0.030 2 427 43 43 GLU HB3 H 2.038 0.030 2 428 43 43 GLU HG2 H 2.302 0.030 2 429 43 43 GLU HG3 H 2.247 0.030 2 430 43 43 GLU C C 178.264 0.300 1 431 43 43 GLU CA C 58.855 0.300 1 432 43 43 GLU CB C 30.959 0.300 1 433 43 43 GLU CG C 35.920 0.300 1 434 43 43 GLU N N 118.451 0.300 1 435 44 44 THR H H 8.387 0.030 1 436 44 44 THR HA H 4.333 0.030 1 437 44 44 THR HB H 4.071 0.030 1 438 44 44 THR HG2 H 1.283 0.030 1 439 44 44 THR C C 175.787 0.300 1 440 44 44 THR CA C 63.333 0.300 1 441 44 44 THR CB C 72.112 0.300 1 442 44 44 THR CG2 C 21.328 0.300 1 443 44 44 THR N N 105.689 0.300 1 444 45 45 LYS H H 7.962 0.030 1 445 45 45 LYS HA H 4.042 0.030 1 446 45 45 LYS HB2 H 2.078 0.030 2 447 45 45 LYS HB3 H 2.228 0.030 2 448 45 45 LYS HD2 H 1.653 0.030 2 449 45 45 LYS HD3 H 1.710 0.030 2 450 45 45 LYS HE2 H 3.027 0.030 2 451 45 45 LYS HE3 H 3.070 0.030 2 452 45 45 LYS HG2 H 1.364 0.030 2 453 45 45 LYS HG3 H 1.424 0.030 2 454 45 45 LYS C C 176.298 0.300 1 455 45 45 LYS CA C 57.934 0.300 1 456 45 45 LYS CB C 29.024 0.300 1 457 45 45 LYS CD C 28.848 0.300 1 458 45 45 LYS CE C 42.670 0.300 1 459 45 45 LYS CG C 25.201 0.300 1 460 45 45 LYS N N 115.260 0.300 1 461 46 46 MET H H 7.750 0.030 1 462 46 46 MET HA H 4.498 0.030 1 463 46 46 MET HB2 H 1.795 0.030 2 464 46 46 MET HB3 H 2.323 0.030 2 465 46 46 MET HE H 1.810 0.030 1 466 46 46 MET HG2 H 2.512 0.030 2 467 46 46 MET HG3 H 2.258 0.030 2 468 46 46 MET C C 176.127 0.300 1 469 46 46 MET CA C 55.788 0.300 1 470 46 46 MET CB C 36.233 0.300 1 471 46 46 MET CE C 16.052 0.300 1 472 46 46 MET CG C 32.426 0.300 1 473 46 46 MET N N 119.026 0.300 1 474 47 47 THR H H 8.712 0.030 1 475 47 47 THR HA H 4.376 0.030 1 476 47 47 THR HB H 4.737 0.030 1 477 47 47 THR HG2 H 1.381 0.030 1 478 47 47 THR C C 175.812 0.300 1 479 47 47 THR CA C 61.011 0.300 1 480 47 47 THR CB C 70.885 0.300 1 481 47 47 THR CG2 C 22.026 0.300 1 482 47 47 THR N N 109.504 0.300 1 483 48 48 ARG H H 9.074 0.030 1 484 48 48 ARG HA H 3.910 0.030 1 485 48 48 ARG HB2 H 1.925 0.030 1 486 48 48 ARG HB3 H 1.925 0.030 1 487 48 48 ARG HD2 H 3.192 0.030 1 488 48 48 ARG HD3 H 3.192 0.030 1 489 48 48 ARG HE H 8.081 0.030 1 490 48 48 ARG HG2 H 1.676 0.030 1 491 48 48 ARG HG3 H 1.676 0.030 1 492 48 48 ARG C C 178.119 0.300 1 493 48 48 ARG CA C 59.242 0.300 1 494 48 48 ARG CB C 29.189 0.300 1 495 48 48 ARG CD C 41.846 0.300 1 496 48 48 ARG CG C 27.951 0.300 1 497 48 48 ARG N N 120.559 0.300 1 498 48 48 ARG NE N 84.849 0.300 1 499 49 49 ARG H H 8.384 0.030 1 500 49 49 ARG HA H 4.237 0.030 1 501 49 49 ARG HB2 H 1.837 0.030 2 502 49 49 ARG HB3 H 1.926 0.030 2 503 49 49 ARG HD2 H 3.278 0.030 1 504 49 49 ARG HD3 H 3.278 0.030 1 505 49 49 ARG HG2 H 1.779 0.030 2 506 49 49 ARG HG3 H 1.729 0.030 2 507 49 49 ARG C C 179.478 0.300 1 508 49 49 ARG CA C 59.419 0.300 1 509 49 49 ARG CB C 30.014 0.300 1 510 49 49 ARG CD C 43.330 0.300 1 511 49 49 ARG CG C 27.096 0.300 1 512 49 49 ARG N N 117.267 0.300 1 513 50 50 GLU H H 7.869 0.030 1 514 50 50 GLU HA H 4.073 0.030 1 515 50 50 GLU HB2 H 1.972 0.030 2 516 50 50 GLU HB3 H 2.474 0.030 2 517 50 50 GLU HG2 H 2.301 0.030 2 518 50 50 GLU HG3 H 2.443 0.030 2 519 50 50 GLU C C 180.036 0.300 1 520 50 50 GLU CA C 59.419 0.300 1 521 50 50 GLU CB C 30.672 0.300 1 522 50 50 GLU CG C 37.758 0.300 1 523 50 50 GLU N N 119.568 0.300 1 524 51 51 ILE H H 8.451 0.030 1 525 51 51 ILE HA H 3.795 0.030 1 526 51 51 ILE HB H 1.940 0.030 1 527 51 51 ILE HD1 H 0.736 0.030 1 528 51 51 ILE HG12 H 0.900 0.030 2 529 51 51 ILE HG13 H 1.903 0.030 2 530 51 51 ILE HG2 H 1.196 0.030 1 531 51 51 ILE C C 177.706 0.300 1 532 51 51 ILE CA C 66.329 0.300 1 533 51 51 ILE CB C 38.715 0.300 1 534 51 51 ILE CD1 C 13.976 0.300 1 535 51 51 ILE CG1 C 30.230 0.300 1 536 51 51 ILE CG2 C 19.680 0.300 1 537 51 51 ILE N N 122.516 0.300 1 538 52 52 ASP H H 9.078 0.030 1 539 52 52 ASP HA H 4.561 0.030 1 540 52 52 ASP HB2 H 2.772 0.030 2 541 52 52 ASP HB3 H 2.877 0.030 2 542 52 52 ASP C C 180.085 0.300 1 543 52 52 ASP CA C 58.249 0.300 1 544 52 52 ASP CB C 40.908 0.300 1 545 52 52 ASP N N 121.201 0.300 1 546 53 53 SER H H 8.298 0.030 1 547 53 53 SER HA H 4.362 0.030 1 548 53 53 SER HB2 H 4.050 0.030 2 549 53 53 SER HB3 H 4.308 0.030 2 550 53 53 SER C C 175.934 0.300 1 551 53 53 SER CA C 61.928 0.300 1 552 53 53 SER CB C 62.974 0.300 1 553 53 53 SER N N 114.616 0.300 1 554 54 54 TRP H H 8.315 0.030 1 555 54 54 TRP HA H 3.993 0.030 1 556 54 54 TRP HB2 H 3.268 0.030 2 557 54 54 TRP HB3 H 3.687 0.030 2 558 54 54 TRP HD1 H 7.163 0.030 1 559 54 54 TRP HE1 H 9.674 0.030 1 560 54 54 TRP HE3 H 6.862 0.030 1 561 54 54 TRP HH2 H 6.391 0.030 1 562 54 54 TRP HZ2 H 7.241 0.030 1 563 54 54 TRP HZ3 H 5.723 0.030 1 564 54 54 TRP C C 179.453 0.300 1 565 54 54 TRP CA C 63.191 0.300 1 566 54 54 TRP CB C 28.777 0.300 1 567 54 54 TRP CD1 C 126.644 0.300 1 568 54 54 TRP CE3 C 121.311 0.300 1 569 54 54 TRP CH2 C 123.430 0.300 1 570 54 54 TRP CZ2 C 114.059 0.300 1 571 54 54 TRP CZ3 C 121.135 0.300 1 572 54 54 TRP N N 123.444 0.300 1 573 54 54 TRP NE1 N 128.228 0.300 1 574 55 55 PHE H H 9.110 0.030 1 575 55 55 PHE HA H 3.880 0.030 1 576 55 55 PHE HB2 H 3.345 0.030 2 577 55 55 PHE HB3 H 3.528 0.030 2 578 55 55 PHE HD1 H 7.901 0.030 1 579 55 55 PHE HD2 H 7.901 0.030 1 580 55 55 PHE HE1 H 7.447 0.030 1 581 55 55 PHE HE2 H 7.447 0.030 1 582 55 55 PHE HZ H 7.553 0.030 1 583 55 55 PHE C C 178.119 0.300 1 584 55 55 PHE CA C 63.563 0.300 1 585 55 55 PHE CB C 39.721 0.300 1 586 55 55 PHE CD1 C 132.173 0.300 1 587 55 55 PHE CD2 C 132.173 0.300 1 588 55 55 PHE CE1 C 131.865 0.300 1 589 55 55 PHE CE2 C 131.865 0.300 1 590 55 55 PHE CZ C 130.210 0.300 1 591 55 55 PHE N N 119.065 0.300 1 592 56 56 SER H H 8.330 0.030 1 593 56 56 SER HA H 4.173 0.030 1 594 56 56 SER HB2 H 4.093 0.030 1 595 56 56 SER HB3 H 4.093 0.030 1 596 56 56 SER C C 177.851 0.300 1 597 56 56 SER CA C 61.958 0.300 1 598 56 56 SER CB C 62.727 0.300 1 599 56 56 SER N N 113.028 0.300 1 600 57 57 GLU H H 8.070 0.030 1 601 57 57 GLU HA H 3.922 0.030 1 602 57 57 GLU HB2 H 1.892 0.030 2 603 57 57 GLU HB3 H 1.838 0.030 2 604 57 57 GLU HG2 H 2.241 0.030 1 605 57 57 GLU HG3 H 2.241 0.030 1 606 57 57 GLU C C 178.895 0.300 1 607 57 57 GLU CA C 58.629 0.300 1 608 57 57 GLU CB C 29.107 0.300 1 609 57 57 GLU CG C 36.161 0.300 1 610 57 57 GLU N N 119.996 0.300 1 611 58 58 ARG H H 8.048 0.030 1 612 58 58 ARG HA H 3.489 0.030 1 613 58 58 ARG HB2 H 0.835 0.030 2 614 58 58 ARG HB3 H -0.140 0.030 2 615 58 58 ARG HD2 H 2.053 0.030 2 616 58 58 ARG HD3 H 2.464 0.030 2 617 58 58 ARG HE H 8.427 0.030 1 618 58 58 ARG HG2 H -0.179 0.030 2 619 58 58 ARG HG3 H -0.280 0.030 2 620 58 58 ARG C C 179.186 0.300 1 621 58 58 ARG CA C 56.770 0.300 1 622 58 58 ARG CB C 28.145 0.300 1 623 58 58 ARG CD C 41.023 0.300 1 624 58 58 ARG CG C 24.131 0.300 1 625 58 58 ARG N N 122.160 0.300 1 626 58 58 ARG NE N 86.529 0.300 1 627 59 59 ARG H H 8.093 0.030 1 628 59 59 ARG HA H 4.212 0.030 1 629 59 59 ARG HB2 H 1.952 0.030 2 630 59 59 ARG HB3 H 2.182 0.030 2 631 59 59 ARG HD2 H 3.287 0.030 2 632 59 59 ARG HD3 H 3.623 0.030 2 633 59 59 ARG HG2 H 1.910 0.030 2 634 59 59 ARG HG3 H 2.507 0.030 2 635 59 59 ARG C C 178.458 0.300 1 636 59 59 ARG CA C 60.019 0.300 1 637 59 59 ARG CB C 31.689 0.300 1 638 59 59 ARG CD C 43.855 0.300 1 639 59 59 ARG CG C 30.392 0.300 1 640 59 59 ARG N N 116.818 0.300 1 641 60 60 LYS H H 7.418 0.030 1 642 60 60 LYS HA H 4.154 0.030 1 643 60 60 LYS HB2 H 1.935 0.030 2 644 60 60 LYS HB3 H 1.886 0.030 2 645 60 60 LYS HD2 H 1.680 0.030 1 646 60 60 LYS HD3 H 1.680 0.030 1 647 60 60 LYS HE2 H 2.947 0.030 1 648 60 60 LYS HE3 H 2.947 0.030 1 649 60 60 LYS HG2 H 1.666 0.030 2 650 60 60 LYS HG3 H 1.434 0.030 2 651 60 60 LYS C C 177.803 0.300 1 652 60 60 LYS CA C 58.327 0.300 1 653 60 60 LYS CB C 32.651 0.300 1 654 60 60 LYS CD C 29.569 0.300 1 655 60 60 LYS CE C 42.176 0.300 1 656 60 60 LYS CG C 25.366 0.300 1 657 60 60 LYS N N 117.893 0.300 1 658 61 61 LYS H H 7.510 0.030 1 659 61 61 LYS HA H 4.177 0.030 1 660 61 61 LYS HB2 H 1.750 0.030 2 661 61 61 LYS HB3 H 1.850 0.030 2 662 61 61 LYS HD2 H 1.548 0.030 1 663 61 61 LYS HD3 H 1.548 0.030 1 664 61 61 LYS HE2 H 2.884 0.030 1 665 61 61 LYS HE3 H 2.884 0.030 1 666 61 61 LYS HG2 H 1.354 0.030 2 667 61 61 LYS HG3 H 1.448 0.030 2 668 61 61 LYS C C 177.317 0.300 1 669 61 61 LYS CA C 57.516 0.300 1 670 61 61 LYS CB C 32.809 0.300 1 671 61 61 LYS CD C 29.198 0.300 1 672 61 61 LYS CE C 42.093 0.300 1 673 61 61 LYS CG C 24.790 0.300 1 674 61 61 LYS N N 119.359 0.300 1 675 62 62 VAL H H 7.805 0.030 1 676 62 62 VAL HA H 4.013 0.030 1 677 62 62 VAL HB H 2.199 0.030 1 678 62 62 VAL HG1 H 1.018 0.030 1 679 62 62 VAL HG2 H 1.129 0.030 1 680 62 62 VAL C C 176.784 0.300 1 681 62 62 VAL CA C 63.755 0.300 1 682 62 62 VAL CB C 32.365 0.300 1 683 62 62 VAL CG1 C 21.203 0.300 2 684 62 62 VAL CG2 C 21.407 0.300 2 685 62 62 VAL N N 119.337 0.300 1 686 63 63 ASN H H 8.282 0.030 1 687 63 63 ASN HA H 4.700 0.030 1 688 63 63 ASN HB2 H 2.814 0.030 2 689 63 63 ASN HB3 H 2.900 0.030 2 690 63 63 ASN HD21 H 7.658 0.030 2 691 63 63 ASN HD22 H 6.960 0.030 2 692 63 63 ASN C C 175.594 0.300 1 693 63 63 ASN CA C 53.962 0.300 1 694 63 63 ASN CB C 38.913 0.300 1 695 63 63 ASN N N 120.443 0.300 1 696 63 63 ASN ND2 N 112.423 0.300 1 697 64 64 ALA H H 8.225 0.030 1 698 64 64 ALA HA H 4.290 0.030 1 699 64 64 ALA HB H 1.456 0.030 1 700 64 64 ALA C C 178.312 0.300 1 701 64 64 ALA CA C 53.319 0.300 1 702 64 64 ALA CB C 19.055 0.300 1 703 64 64 ALA N N 123.747 0.300 1 704 65 65 GLU H H 8.262 0.030 1 705 65 65 GLU HA H 4.233 0.030 1 706 65 65 GLU HB2 H 2.044 0.030 2 707 65 65 GLU HB3 H 2.088 0.030 2 708 65 65 GLU HG2 H 2.297 0.030 2 709 65 65 GLU HG3 H 2.359 0.030 2 710 65 65 GLU C C 177.244 0.300 1 711 65 65 GLU CA C 57.269 0.300 1 712 65 65 GLU CB C 30.114 0.300 1 713 65 65 GLU CG C 36.408 0.300 1 714 65 65 GLU N N 118.780 0.300 1 715 66 66 GLU H H 8.327 0.030 1 716 66 66 GLU HA H 4.301 0.030 1 717 66 66 GLU HB2 H 2.049 0.030 2 718 66 66 GLU HB3 H 2.095 0.030 2 719 66 66 GLU HG2 H 2.323 0.030 1 720 66 66 GLU HG3 H 2.323 0.030 1 721 66 66 GLU C C 177.244 0.300 1 722 66 66 GLU CA C 57.197 0.300 1 723 66 66 GLU CB C 30.227 0.300 1 724 66 66 GLU CG C 36.408 0.300 1 725 66 66 GLU N N 120.955 0.300 1 726 67 67 THR H H 8.135 0.030 1 727 67 67 THR HA H 4.280 0.030 1 728 67 67 THR HB H 4.233 0.030 1 729 67 67 THR HG2 H 1.248 0.030 1 730 67 67 THR C C 174.816 0.300 1 731 67 67 THR CA C 62.615 0.300 1 732 67 67 THR CB C 69.648 0.300 1 733 67 67 THR CG2 C 21.759 0.300 1 734 67 67 THR N N 114.856 0.300 1 735 68 68 LYS H H 8.202 0.030 1 736 68 68 LYS HA H 4.327 0.030 1 737 68 68 LYS HB2 H 1.873 0.030 2 738 68 68 LYS HB3 H 1.803 0.030 2 739 68 68 LYS HD2 H 1.703 0.030 1 740 68 68 LYS HD3 H 1.703 0.030 1 741 68 68 LYS HE2 H 3.018 0.030 1 742 68 68 LYS HE3 H 3.018 0.030 1 743 68 68 LYS HG2 H 1.439 0.030 2 744 68 68 LYS HG3 H 1.484 0.030 2 745 68 68 LYS C C 176.637 0.300 1 746 68 68 LYS CA C 56.599 0.300 1 747 68 68 LYS CB C 32.898 0.300 1 748 68 68 LYS CD C 29.075 0.300 1 749 68 68 LYS CE C 42.258 0.300 1 750 68 68 LYS CG C 24.771 0.300 1 751 68 68 LYS N N 123.462 0.300 1 752 69 69 LYS H H 8.300 0.030 1 753 69 69 LYS HA H 4.375 0.030 1 754 69 69 LYS HB2 H 1.842 0.030 1 755 69 69 LYS HB3 H 1.842 0.030 1 756 69 69 LYS HD2 H 1.703 0.030 1 757 69 69 LYS HD3 H 1.703 0.030 1 758 69 69 LYS HE2 H 3.017 0.030 1 759 69 69 LYS HE3 H 3.017 0.030 1 760 69 69 LYS HG2 H 1.447 0.030 2 761 69 69 LYS HG3 H 1.498 0.030 2 762 69 69 LYS C C 176.661 0.300 1 763 69 69 LYS CA C 56.458 0.300 1 764 69 69 LYS CB C 33.145 0.300 1 765 69 69 LYS CD C 29.075 0.300 1 766 69 69 LYS CE C 42.258 0.300 1 767 69 69 LYS CG C 24.790 0.300 1 768 69 69 LYS N N 122.321 0.300 1 769 70 70 SER H H 8.330 0.030 1 770 70 70 SER HA H 4.536 0.030 1 771 70 70 SER HB2 H 3.904 0.030 1 772 70 70 SER HB3 H 3.904 0.030 1 773 70 70 SER C C 174.525 0.300 1 774 70 70 SER CA C 58.361 0.300 1 775 70 70 SER CB C 64.022 0.300 1 776 70 70 SER N N 116.687 0.300 1 777 71 71 GLY H H 8.250 0.030 1 778 71 71 GLY C C 171.782 0.300 1 779 71 71 GLY CA C 44.717 0.300 1 780 71 71 GLY N N 110.366 0.300 1 781 72 72 PRO HA H 4.141 0.030 1 782 74 74 SER HA H 4.526 0.030 1 783 74 74 SER HB2 H 3.930 0.030 1 784 74 74 SER HB3 H 3.930 0.030 1 785 74 74 SER C C 173.918 0.300 1 786 74 74 SER CA C 58.528 0.300 1 787 74 74 SER CB C 63.972 0.300 1 788 75 75 GLY H H 8.058 0.030 1 789 75 75 GLY C C 179.042 0.300 1 790 75 75 GLY CA C 46.233 0.300 1 791 75 75 GLY N N 116.568 0.300 1 stop_ save_