data_10248 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the HMG_box Domain of Murine Bobby Sox Homolog ; _BMRB_accession_number 10248 _BMRB_flat_file_name bmr10248.str _Entry_type new _Submission_date 2008-11-20 _Accession_date 2008-11-20 _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 Li H. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 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" 456 "13C chemical shifts" 334 "15N chemical shifts" 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-20 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of the HMG_box Domain of Murine Bobby Sox Homolog' _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 Li H. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 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 'HMG-BOX transcription factor BBX' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HMG_box 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 'HMG_box domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 82 _Mol_residue_sequence ; GSSGSSGARRPMNAFLLFCK RHRSLVRQEHPRLDNRGATK ILADWWAVLDPKEKQKYTDM AKEYKDAFMKANPGYRSGPS SG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ALA 9 ARG 10 ARG 11 PRO 12 MET 13 ASN 14 ALA 15 PHE 16 LEU 17 LEU 18 PHE 19 CYS 20 LYS 21 ARG 22 HIS 23 ARG 24 SER 25 LEU 26 VAL 27 ARG 28 GLN 29 GLU 30 HIS 31 PRO 32 ARG 33 LEU 34 ASP 35 ASN 36 ARG 37 GLY 38 ALA 39 THR 40 LYS 41 ILE 42 LEU 43 ALA 44 ASP 45 TRP 46 TRP 47 ALA 48 VAL 49 LEU 50 ASP 51 PRO 52 LYS 53 GLU 54 LYS 55 GLN 56 LYS 57 TYR 58 THR 59 ASP 60 MET 61 ALA 62 LYS 63 GLU 64 TYR 65 LYS 66 ASP 67 ALA 68 PHE 69 MET 70 LYS 71 ALA 72 ASN 73 PRO 74 GLY 75 TYR 76 ARG 77 SER 78 GLY 79 PRO 80 SER 81 SER 82 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-07 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1WZ6 "Solution Structure Of The Hmg_box Domain Of Murine Bobby Sox Homolog" 100.00 82 100.00 100.00 2.53e-53 GB ELK18141 "HMG box transcription factor BBX [Pteropus alecto]" 84.15 981 97.10 100.00 1.83e-40 GB ELV09777 "HMG box transcription factor BBX [Tupaia chinensis]" 69.51 778 98.25 98.25 5.06e-31 REF XP_006905507 "PREDICTED: LOW QUALITY PROTEIN: HMG box transcription factor BBX [Pteropus alecto]" 84.15 910 97.10 100.00 1.57e-40 REF XP_011383451 "PREDICTED: HMG box transcription factor BBX isoform X1 [Pteropus vampyrus]" 84.15 911 97.10 100.00 1.68e-40 REF XP_011383519 "PREDICTED: HMG box transcription factor BBX isoform X1 [Pteropus vampyrus]" 84.15 911 97.10 100.00 1.68e-40 REF XP_011383589 "PREDICTED: HMG box transcription factor BBX isoform X1 [Pteropus vampyrus]" 84.15 911 97.10 100.00 1.68e-40 REF XP_011383651 "PREDICTED: HMG box transcription factor BBX isoform X1 [Pteropus vampyrus]" 84.15 911 97.10 100.00 1.68e-40 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 mouse 10090 Eukaryota Metazoa Mus musculus 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 P040719-04 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 1.55 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 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name 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 0.913 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guentert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_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 'HMG_box 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 3.967 0.030 1 2 7 7 GLY HA3 H 3.967 0.030 1 3 7 7 GLY C C 173.907 0.300 1 4 7 7 GLY CA C 45.273 0.300 1 5 8 8 ALA H H 8.092 0.030 1 6 8 8 ALA HA H 4.335 0.030 1 7 8 8 ALA HB H 1.405 0.030 1 8 8 8 ALA C C 177.772 0.300 1 9 8 8 ALA CA C 52.468 0.300 1 10 8 8 ALA CB C 19.404 0.300 1 11 8 8 ALA N N 123.589 0.300 1 12 9 9 ARG H H 8.298 0.030 1 13 9 9 ARG HA H 4.348 0.030 1 14 9 9 ARG HB2 H 1.776 0.030 2 15 9 9 ARG HB3 H 1.866 0.030 2 16 9 9 ARG HD2 H 3.183 0.030 1 17 9 9 ARG HD3 H 3.183 0.030 1 18 9 9 ARG HG2 H 1.671 0.030 1 19 9 9 ARG HG3 H 1.671 0.030 1 20 9 9 ARG C C 175.894 0.300 1 21 9 9 ARG CA C 55.999 0.300 1 22 9 9 ARG CB C 30.813 0.300 1 23 9 9 ARG CD C 43.279 0.300 1 24 9 9 ARG CG C 27.288 0.300 1 25 9 9 ARG N N 120.366 0.300 1 26 10 10 ARG H H 8.212 0.030 1 27 10 10 ARG HA H 4.468 0.030 1 28 10 10 ARG HB2 H 1.798 0.030 2 29 10 10 ARG HB3 H 1.674 0.030 2 30 10 10 ARG HD2 H 3.139 0.030 1 31 10 10 ARG HD3 H 3.139 0.030 1 32 10 10 ARG HG2 H 1.613 0.030 1 33 10 10 ARG HG3 H 1.613 0.030 1 34 10 10 ARG C C 173.810 0.300 1 35 10 10 ARG CA C 53.783 0.300 1 36 10 10 ARG CB C 30.384 0.300 1 37 10 10 ARG CD C 43.508 0.300 1 38 10 10 ARG CG C 26.807 0.300 1 39 10 10 ARG N N 122.690 0.300 1 40 11 11 PRO HA H 4.322 0.030 1 41 11 11 PRO HB2 H 2.131 0.030 2 42 11 11 PRO HB3 H 1.890 0.030 2 43 11 11 PRO HD2 H 3.353 0.030 2 44 11 11 PRO HD3 H 3.493 0.030 2 45 11 11 PRO HG2 H 1.808 0.030 2 46 11 11 PRO HG3 H 1.979 0.030 2 47 11 11 PRO C C 176.427 0.300 1 48 11 11 PRO CA C 62.905 0.300 1 49 11 11 PRO CB C 31.929 0.300 1 50 11 11 PRO CD C 50.206 0.300 1 51 11 11 PRO CG C 27.405 0.300 1 52 12 12 MET H H 8.237 0.030 1 53 12 12 MET HA H 4.441 0.030 1 54 12 12 MET HB2 H 1.904 0.030 1 55 12 12 MET HB3 H 1.904 0.030 1 56 12 12 MET HE H 1.897 0.030 1 57 12 12 MET HG2 H 2.420 0.030 1 58 12 12 MET HG3 H 2.420 0.030 1 59 12 12 MET C C 175.094 0.300 1 60 12 12 MET CA C 55.400 0.300 1 61 12 12 MET CB C 33.327 0.300 1 62 12 12 MET CE C 16.895 0.300 1 63 12 12 MET CG C 32.093 0.300 1 64 12 12 MET N N 120.543 0.300 1 65 13 13 ASN H H 7.399 0.030 1 66 13 13 ASN HA H 4.650 0.030 1 67 13 13 ASN HB2 H 3.184 0.030 2 68 13 13 ASN HB3 H 2.915 0.030 2 69 13 13 ASN HD21 H 7.615 0.030 2 70 13 13 ASN HD22 H 6.905 0.030 2 71 13 13 ASN C C 174.743 0.300 1 72 13 13 ASN CA C 52.456 0.300 1 73 13 13 ASN CB C 39.513 0.300 1 74 13 13 ASN N N 118.399 0.300 1 75 13 13 ASN ND2 N 112.424 0.300 1 76 14 14 ALA H H 8.681 0.030 1 77 14 14 ALA HA H 3.964 0.030 1 78 14 14 ALA HB H 1.671 0.030 1 79 14 14 ALA C C 177.736 0.300 1 80 14 14 ALA CA C 56.221 0.300 1 81 14 14 ALA CB C 19.568 0.300 1 82 14 14 ALA N N 122.169 0.300 1 83 15 15 PHE H H 8.002 0.030 1 84 15 15 PHE HA H 2.866 0.030 1 85 15 15 PHE HB2 H 2.524 0.030 2 86 15 15 PHE HB3 H 2.255 0.030 2 87 15 15 PHE HD1 H 6.375 0.030 1 88 15 15 PHE HD2 H 6.375 0.030 1 89 15 15 PHE HE1 H 7.084 0.030 1 90 15 15 PHE HE2 H 7.084 0.030 1 91 15 15 PHE HZ H 7.001 0.030 1 92 15 15 PHE C C 177.821 0.300 1 93 15 15 PHE CA C 59.132 0.300 1 94 15 15 PHE CB C 38.239 0.300 1 95 15 15 PHE CD1 C 131.948 0.300 1 96 15 15 PHE CD2 C 131.948 0.300 1 97 15 15 PHE CE1 C 131.064 0.300 1 98 15 15 PHE CE2 C 131.064 0.300 1 99 15 15 PHE CZ C 129.673 0.300 1 100 15 15 PHE N N 116.867 0.300 1 101 16 16 LEU H H 8.264 0.030 1 102 16 16 LEU HA H 3.642 0.030 1 103 16 16 LEU HB2 H 1.726 0.030 2 104 16 16 LEU HB3 H 1.458 0.030 2 105 16 16 LEU HD1 H 0.923 0.030 1 106 16 16 LEU HD2 H 0.827 0.030 1 107 16 16 LEU HG H 1.765 0.030 1 108 16 16 LEU C C 180.354 0.300 1 109 16 16 LEU CA C 58.236 0.300 1 110 16 16 LEU CB C 41.365 0.300 1 111 16 16 LEU CD1 C 25.266 0.300 2 112 16 16 LEU CD2 C 22.916 0.300 2 113 16 16 LEU CG C 27.158 0.300 1 114 16 16 LEU N N 120.647 0.300 1 115 17 17 LEU H H 7.977 0.030 1 116 17 17 LEU HA H 4.065 0.030 1 117 17 17 LEU HB2 H 2.051 0.030 2 118 17 17 LEU HB3 H 1.867 0.030 2 119 17 17 LEU HD1 H 0.938 0.030 1 120 17 17 LEU HD2 H 0.925 0.030 1 121 17 17 LEU HG H 1.763 0.030 1 122 17 17 LEU C C 178.984 0.300 1 123 17 17 LEU CA C 58.165 0.300 1 124 17 17 LEU CB C 41.693 0.300 1 125 17 17 LEU CD1 C 25.107 0.300 2 126 17 17 LEU CD2 C 24.446 0.300 2 127 17 17 LEU CG C 27.276 0.300 1 128 17 17 LEU N N 121.855 0.300 1 129 18 18 PHE H H 8.136 0.030 1 130 18 18 PHE HA H 3.769 0.030 1 131 18 18 PHE HB2 H 2.264 0.030 2 132 18 18 PHE HB3 H 2.870 0.030 2 133 18 18 PHE HD1 H 6.728 0.030 1 134 18 18 PHE HD2 H 6.728 0.030 1 135 18 18 PHE HZ H 6.695 0.030 1 136 18 18 PHE C C 179.020 0.300 1 137 18 18 PHE CA C 62.333 0.300 1 138 18 18 PHE CB C 39.122 0.300 1 139 18 18 PHE CD1 C 131.921 0.300 1 140 18 18 PHE CD2 C 131.921 0.300 1 141 18 18 PHE CZ C 128.875 0.300 1 142 18 18 PHE N N 122.907 0.300 1 143 19 19 CYS H H 8.520 0.030 1 144 19 19 CYS HA H 3.728 0.030 1 145 19 19 CYS HB2 H 2.834 0.030 2 146 19 19 CYS HB3 H 2.339 0.030 2 147 19 19 CYS C C 176.136 0.300 1 148 19 19 CYS CA C 64.313 0.300 1 149 19 19 CYS CB C 26.577 0.300 1 150 19 19 CYS N N 119.069 0.300 1 151 20 20 LYS H H 7.969 0.030 1 152 20 20 LYS HA H 3.953 0.030 1 153 20 20 LYS HB2 H 1.932 0.030 1 154 20 20 LYS HB3 H 1.932 0.030 1 155 20 20 LYS HD2 H 1.645 0.030 1 156 20 20 LYS HD3 H 1.645 0.030 1 157 20 20 LYS HE2 H 2.975 0.030 1 158 20 20 LYS HE3 H 2.975 0.030 1 159 20 20 LYS HG2 H 1.435 0.030 2 160 20 20 LYS HG3 H 1.535 0.030 2 161 20 20 LYS C C 179.133 0.300 1 162 20 20 LYS CA C 59.295 0.300 1 163 20 20 LYS CB C 32.111 0.300 1 164 20 20 LYS CD C 29.379 0.300 1 165 20 20 LYS CE C 42.173 0.300 1 166 20 20 LYS CG C 24.855 0.300 1 167 20 20 LYS N N 119.888 0.300 1 168 21 21 ARG H H 7.493 0.030 1 169 21 21 ARG HA H 4.166 0.030 1 170 21 21 ARG HB2 H 1.821 0.030 2 171 21 21 ARG HB3 H 1.645 0.030 2 172 21 21 ARG HD2 H 3.267 0.030 2 173 21 21 ARG HD3 H 3.212 0.030 2 174 21 21 ARG HG2 H 1.455 0.030 1 175 21 21 ARG HG3 H 1.455 0.030 1 176 21 21 ARG C C 177.239 0.300 1 177 21 21 ARG CA C 57.575 0.300 1 178 21 21 ARG CB C 30.137 0.300 1 179 21 21 ARG CD C 42.950 0.300 1 180 21 21 ARG CG C 27.144 0.300 1 181 21 21 ARG N N 116.105 0.300 1 182 22 22 HIS H H 7.354 0.030 1 183 22 22 HIS HA H 4.706 0.030 1 184 22 22 HIS HB2 H 3.264 0.030 2 185 22 22 HIS HB3 H 2.095 0.030 2 186 22 22 HIS HE1 H 7.728 0.030 1 187 22 22 HIS C C 175.627 0.300 1 188 22 22 HIS CA C 58.593 0.300 1 189 22 22 HIS CB C 30.754 0.300 1 190 22 22 HIS CE1 C 138.239 0.300 1 191 22 22 HIS N N 113.808 0.300 1 192 23 23 ARG H H 8.372 0.030 1 193 23 23 ARG HA H 3.793 0.030 1 194 23 23 ARG HB2 H 1.824 0.030 2 195 23 23 ARG HB3 H 2.033 0.030 2 196 23 23 ARG HD2 H 3.315 0.030 2 197 23 23 ARG HD3 H 3.045 0.030 2 198 23 23 ARG HG2 H 1.596 0.030 2 199 23 23 ARG HG3 H 1.443 0.030 2 200 23 23 ARG C C 177.930 0.300 1 201 23 23 ARG CA C 60.747 0.300 1 202 23 23 ARG CB C 29.251 0.300 1 203 23 23 ARG CD C 42.749 0.300 1 204 23 23 ARG CG C 27.060 0.300 1 205 23 23 ARG N N 123.560 0.300 1 206 24 24 SER HA H 4.163 0.030 1 207 24 24 SER HB2 H 3.917 0.030 1 208 24 24 SER HB3 H 3.917 0.030 1 209 24 24 SER CA C 61.523 0.300 1 210 24 24 SER CB C 62.116 0.300 1 211 25 25 LEU H H 7.504 0.030 1 212 25 25 LEU HA H 4.265 0.030 1 213 25 25 LEU HB2 H 2.044 0.030 1 214 25 25 LEU HB3 H 2.044 0.030 1 215 25 25 LEU HD1 H 1.036 0.030 1 216 25 25 LEU HD2 H 0.995 0.030 1 217 25 25 LEU HG H 1.785 0.030 1 218 25 25 LEU C C 179.336 0.300 1 219 25 25 LEU CA C 57.837 0.300 1 220 25 25 LEU CB C 41.470 0.300 1 221 25 25 LEU CD1 C 24.444 0.300 2 222 25 25 LEU CD2 C 24.674 0.300 2 223 25 25 LEU CG C 27.305 0.300 1 224 25 25 LEU N N 124.174 0.300 1 225 26 26 VAL H H 7.802 0.030 1 226 26 26 VAL HA H 3.833 0.030 1 227 26 26 VAL HB H 2.125 0.030 1 228 26 26 VAL HG1 H 0.965 0.030 1 229 26 26 VAL HG2 H 0.812 0.030 1 230 26 26 VAL C C 177.712 0.300 1 231 26 26 VAL CA C 66.662 0.300 1 232 26 26 VAL CB C 31.670 0.300 1 233 26 26 VAL CG1 C 21.954 0.300 2 234 26 26 VAL CG2 C 23.292 0.300 2 235 26 26 VAL N N 119.266 0.300 1 236 27 27 ARG H H 7.922 0.030 1 237 27 27 ARG HA H 4.043 0.030 1 238 27 27 ARG HB2 H 1.958 0.030 2 239 27 27 ARG HB3 H 1.864 0.030 2 240 27 27 ARG HD2 H 3.216 0.030 1 241 27 27 ARG HD3 H 3.216 0.030 1 242 27 27 ARG HG2 H 1.621 0.030 2 243 27 27 ARG HG3 H 1.855 0.030 2 244 27 27 ARG C C 177.785 0.300 1 245 27 27 ARG CA C 58.683 0.300 1 246 27 27 ARG CB C 29.720 0.300 1 247 27 27 ARG CD C 42.950 0.300 1 248 27 27 ARG CG C 27.487 0.300 1 249 27 27 ARG N N 118.035 0.300 1 250 28 28 GLN H H 7.707 0.030 1 251 28 28 GLN HA H 4.092 0.030 1 252 28 28 GLN HB2 H 2.266 0.030 1 253 28 28 GLN HB3 H 2.266 0.030 1 254 28 28 GLN HE21 H 6.836 0.030 2 255 28 28 GLN HE22 H 7.581 0.030 2 256 28 28 GLN HG2 H 2.496 0.030 2 257 28 28 GLN HG3 H 2.452 0.030 2 258 28 28 GLN C C 177.785 0.300 1 259 28 28 GLN CA C 58.233 0.300 1 260 28 28 GLN CB C 29.191 0.300 1 261 28 28 GLN CG C 34.067 0.300 1 262 28 28 GLN N N 116.893 0.300 1 263 28 28 GLN NE2 N 111.988 0.300 1 264 29 29 GLU H H 7.864 0.030 1 265 29 29 GLU HA H 4.131 0.030 1 266 29 29 GLU HB2 H 2.007 0.030 2 267 29 29 GLU HB3 H 1.881 0.030 2 268 29 29 GLU HG2 H 2.367 0.030 2 269 29 29 GLU HG3 H 2.154 0.030 2 270 29 29 GLU C C 176.246 0.300 1 271 29 29 GLU CA C 57.808 0.300 1 272 29 29 GLU CB C 31.004 0.300 1 273 29 29 GLU CG C 36.652 0.300 1 274 29 29 GLU N N 116.949 0.300 1 275 30 30 HIS H H 8.058 0.030 1 276 30 30 HIS HA H 5.071 0.030 1 277 30 30 HIS HB2 H 2.998 0.030 2 278 30 30 HIS HB3 H 3.139 0.030 2 279 30 30 HIS HD2 H 7.072 0.030 1 280 30 30 HIS HE1 H 7.967 0.030 1 281 30 30 HIS C C 173.519 0.300 1 282 30 30 HIS CA C 53.347 0.300 1 283 30 30 HIS CB C 30.649 0.300 1 284 30 30 HIS CD2 C 120.782 0.300 1 285 30 30 HIS CE1 C 138.370 0.300 1 286 30 30 HIS N N 116.711 0.300 1 287 31 31 PRO HA H 4.648 0.030 1 288 31 31 PRO HB2 H 2.454 0.030 2 289 31 31 PRO HB3 H 1.991 0.030 2 290 31 31 PRO HD2 H 3.392 0.030 2 291 31 31 PRO HD3 H 3.634 0.030 2 292 31 31 PRO HG2 H 1.927 0.030 2 293 31 31 PRO HG3 H 2.065 0.030 2 294 31 31 PRO C C 178.197 0.300 1 295 31 31 PRO CA C 64.911 0.300 1 296 31 31 PRO CB C 32.458 0.300 1 297 31 31 PRO CD C 50.435 0.300 1 298 31 31 PRO CG C 27.240 0.300 1 299 32 32 ARG H H 8.617 0.030 1 300 32 32 ARG HA H 4.406 0.030 1 301 32 32 ARG HB2 H 2.064 0.030 2 302 32 32 ARG HB3 H 1.829 0.030 2 303 32 32 ARG HD2 H 3.235 0.030 1 304 32 32 ARG HD3 H 3.235 0.030 1 305 32 32 ARG HG2 H 1.675 0.030 2 306 32 32 ARG HG3 H 1.635 0.030 2 307 32 32 ARG C C 176.815 0.300 1 308 32 32 ARG CA C 55.959 0.300 1 309 32 32 ARG CB C 29.808 0.300 1 310 32 32 ARG CD C 43.115 0.300 1 311 32 32 ARG CG C 27.569 0.300 1 312 32 32 ARG N N 116.125 0.300 1 313 33 33 LEU H H 7.421 0.030 1 314 33 33 LEU HA H 4.409 0.030 1 315 33 33 LEU HB2 H 1.753 0.030 2 316 33 33 LEU HB3 H 1.674 0.030 2 317 33 33 LEU HD1 H 0.735 0.030 1 318 33 33 LEU HD2 H 0.764 0.030 1 319 33 33 LEU HG H 1.875 0.030 1 320 33 33 LEU C C 177.349 0.300 1 321 33 33 LEU CA C 55.140 0.300 1 322 33 33 LEU CB C 43.420 0.300 1 323 33 33 LEU CD1 C 23.950 0.300 2 324 33 33 LEU CD2 C 25.560 0.300 2 325 33 33 LEU CG C 26.444 0.300 1 326 33 33 LEU N N 120.576 0.300 1 327 34 34 ASP H H 8.168 0.030 1 328 34 34 ASP HA H 4.646 0.030 1 329 34 34 ASP HB2 H 3.213 0.030 2 330 34 34 ASP HB3 H 2.854 0.030 2 331 34 34 ASP C C 175.821 0.300 1 332 34 34 ASP CA C 52.415 0.300 1 333 34 34 ASP CB C 41.177 0.300 1 334 34 34 ASP N N 122.502 0.300 1 335 35 35 ASN HA H 4.395 0.030 1 336 35 35 ASN HB2 H 2.836 0.030 2 337 35 35 ASN HB3 H 2.795 0.030 2 338 35 35 ASN HD21 H 6.978 0.030 2 339 35 35 ASN HD22 H 7.681 0.030 2 340 35 35 ASN CA C 57.033 0.300 1 341 35 35 ASN CB C 38.344 0.300 1 342 35 35 ASN ND2 N 114.066 0.300 1 343 36 36 ARG HA H 4.096 0.030 1 344 36 36 ARG HB2 H 1.914 0.030 2 345 36 36 ARG HB3 H 1.957 0.030 2 346 36 36 ARG HD2 H 3.255 0.030 1 347 36 36 ARG HD3 H 3.255 0.030 1 348 36 36 ARG HG2 H 1.746 0.030 2 349 36 36 ARG HG3 H 1.625 0.030 2 350 36 36 ARG C C 179.554 0.300 1 351 36 36 ARG CA C 59.527 0.300 1 352 36 36 ARG CB C 29.626 0.300 1 353 36 36 ARG CD C 43.484 0.300 1 354 36 36 ARG CG C 27.284 0.300 1 355 37 37 GLY H H 8.618 0.030 1 356 37 37 GLY HA2 H 3.888 0.030 2 357 37 37 GLY HA3 H 3.754 0.030 2 358 37 37 GLY C C 176.597 0.300 1 359 37 37 GLY CA C 47.048 0.300 1 360 37 37 GLY N N 110.017 0.300 1 361 38 38 ALA H H 8.619 0.030 1 362 38 38 ALA HA H 3.945 0.030 1 363 38 38 ALA HB H 1.383 0.030 1 364 38 38 ALA C C 178.924 0.300 1 365 38 38 ALA CA C 55.123 0.300 1 366 38 38 ALA CB C 18.046 0.300 1 367 38 38 ALA N N 124.889 0.300 1 368 39 39 THR H H 8.239 0.030 1 369 39 39 THR HA H 3.895 0.030 1 370 39 39 THR HB H 4.364 0.030 1 371 39 39 THR HG2 H 1.365 0.030 1 372 39 39 THR C C 175.252 0.300 1 373 39 39 THR CA C 66.889 0.300 1 374 39 39 THR CB C 68.607 0.300 1 375 39 39 THR CG2 C 22.305 0.300 1 376 39 39 THR N N 114.810 0.300 1 377 40 40 LYS H H 7.518 0.030 1 378 40 40 LYS HA H 4.098 0.030 1 379 40 40 LYS HB2 H 1.935 0.030 2 380 40 40 LYS HB3 H 2.035 0.030 2 381 40 40 LYS HD2 H 1.736 0.030 2 382 40 40 LYS HD3 H 1.649 0.030 2 383 40 40 LYS HE2 H 2.995 0.030 1 384 40 40 LYS HE3 H 2.995 0.030 1 385 40 40 LYS HG2 H 1.534 0.030 2 386 40 40 LYS HG3 H 1.455 0.030 2 387 40 40 LYS C C 178.330 0.300 1 388 40 40 LYS CA C 59.746 0.300 1 389 40 40 LYS CB C 32.106 0.300 1 390 40 40 LYS CD C 28.803 0.300 1 391 40 40 LYS CE C 42.374 0.300 1 392 40 40 LYS CG C 25.066 0.300 1 393 40 40 LYS N N 122.046 0.300 1 394 41 41 ILE H H 7.218 0.030 1 395 41 41 ILE HA H 3.722 0.030 1 396 41 41 ILE HB H 1.728 0.030 1 397 41 41 ILE HD1 H 0.405 0.030 1 398 41 41 ILE HG12 H 1.102 0.030 2 399 41 41 ILE HG13 H 1.183 0.030 2 400 41 41 ILE HG2 H 0.295 0.030 1 401 41 41 ILE C C 178.197 0.300 1 402 41 41 ILE CA C 64.055 0.300 1 403 41 41 ILE CB C 36.482 0.300 1 404 41 41 ILE CD1 C 11.448 0.300 1 405 41 41 ILE CG1 C 28.392 0.300 1 406 41 41 ILE CG2 C 17.206 0.300 1 407 41 41 ILE N N 119.019 0.300 1 408 42 42 LEU H H 7.940 0.030 1 409 42 42 LEU HA H 3.988 0.030 1 410 42 42 LEU HB2 H 2.236 0.030 2 411 42 42 LEU HB3 H 1.835 0.030 2 412 42 42 LEU HD1 H 0.751 0.030 1 413 42 42 LEU HD2 H 0.736 0.030 1 414 42 42 LEU HG H 1.665 0.030 1 415 42 42 LEU C C 179.251 0.300 1 416 42 42 LEU CA C 58.605 0.300 1 417 42 42 LEU CB C 41.694 0.300 1 418 42 42 LEU CD1 C 25.513 0.300 2 419 42 42 LEU CD2 C 25.322 0.300 2 420 42 42 LEU CG C 27.569 0.300 1 421 42 42 LEU N N 119.163 0.300 1 422 43 43 ALA H H 8.732 0.030 1 423 43 43 ALA HA H 4.222 0.030 1 424 43 43 ALA HB H 1.535 0.030 1 425 43 43 ALA C C 180.899 0.300 1 426 43 43 ALA CA C 55.699 0.300 1 427 43 43 ALA CB C 17.859 0.300 1 428 43 43 ALA N N 122.225 0.300 1 429 44 44 ASP H H 8.350 0.030 1 430 44 44 ASP HA H 4.545 0.030 1 431 44 44 ASP HB2 H 3.115 0.030 2 432 44 44 ASP HB3 H 2.815 0.030 2 433 44 44 ASP C C 179.227 0.300 1 434 44 44 ASP CA C 57.507 0.300 1 435 44 44 ASP CB C 39.719 0.300 1 436 44 44 ASP N N 122.950 0.300 1 437 45 45 TRP H H 8.831 0.030 1 438 45 45 TRP HA H 4.692 0.030 1 439 45 45 TRP HB2 H 3.763 0.030 2 440 45 45 TRP HB3 H 3.569 0.030 2 441 45 45 TRP HD1 H 7.225 0.030 1 442 45 45 TRP HE1 H 10.190 0.030 1 443 45 45 TRP HE3 H 7.325 0.030 1 444 45 45 TRP HH2 H 6.995 0.030 1 445 45 45 TRP HZ2 H 7.553 0.030 1 446 45 45 TRP HZ3 H 6.899 0.030 1 447 45 45 TRP C C 179.057 0.300 1 448 45 45 TRP CA C 58.008 0.300 1 449 45 45 TRP CB C 29.520 0.300 1 450 45 45 TRP CD1 C 124.685 0.300 1 451 45 45 TRP CE3 C 119.604 0.300 1 452 45 45 TRP CH2 C 124.341 0.300 1 453 45 45 TRP CZ2 C 114.626 0.300 1 454 45 45 TRP CZ3 C 121.023 0.300 1 455 45 45 TRP N N 122.321 0.300 1 456 45 45 TRP NE1 N 128.312 0.300 1 457 46 46 TRP H H 8.921 0.030 1 458 46 46 TRP HA H 3.733 0.030 1 459 46 46 TRP HB2 H 3.259 0.030 2 460 46 46 TRP HB3 H 3.185 0.030 2 461 46 46 TRP HD1 H 6.964 0.030 1 462 46 46 TRP HE1 H 10.009 0.030 1 463 46 46 TRP HE3 H 5.864 0.030 1 464 46 46 TRP HH2 H 7.135 0.030 1 465 46 46 TRP HZ2 H 7.425 0.030 1 466 46 46 TRP HZ3 H 6.445 0.030 1 467 46 46 TRP C C 177.664 0.300 1 468 46 46 TRP CA C 59.279 0.300 1 469 46 46 TRP CB C 30.508 0.300 1 470 46 46 TRP CD1 C 127.417 0.300 1 471 46 46 TRP CE3 C 120.933 0.300 1 472 46 46 TRP CH2 C 124.366 0.300 1 473 46 46 TRP CZ2 C 113.529 0.300 1 474 46 46 TRP CZ3 C 121.617 0.300 1 475 46 46 TRP N N 120.243 0.300 1 476 46 46 TRP NE1 N 128.030 0.300 1 477 47 47 ALA H H 7.918 0.030 1 478 47 47 ALA HA H 3.918 0.030 1 479 47 47 ALA HB H 1.605 0.030 1 480 47 47 ALA C C 179.978 0.300 1 481 47 47 ALA CA C 55.011 0.300 1 482 47 47 ALA CB C 18.581 0.300 1 483 47 47 ALA N N 117.935 0.300 1 484 48 48 VAL H H 7.106 0.030 1 485 48 48 VAL HA H 4.378 0.030 1 486 48 48 VAL HB H 2.453 0.030 1 487 48 48 VAL HG1 H 0.986 0.030 1 488 48 48 VAL HG2 H 1.047 0.030 1 489 48 48 VAL C C 175.627 0.300 1 490 48 48 VAL CA C 60.641 0.300 1 491 48 48 VAL CB C 31.865 0.300 1 492 48 48 VAL CG1 C 21.278 0.300 2 493 48 48 VAL CG2 C 18.933 0.300 2 494 48 48 VAL N N 107.757 0.300 1 495 49 49 LEU H H 7.008 0.030 1 496 49 49 LEU HA H 3.948 0.030 1 497 49 49 LEU HB2 H 1.327 0.030 2 498 49 49 LEU HB3 H 1.189 0.030 2 499 49 49 LEU HD1 H 0.871 0.030 1 500 49 49 LEU HD2 H 0.709 0.030 1 501 49 49 LEU HG H 1.765 0.030 1 502 49 49 LEU C C 176.258 0.300 1 503 49 49 LEU CA C 55.032 0.300 1 504 49 49 LEU CB C 42.822 0.300 1 505 49 49 LEU CD1 C 24.529 0.300 2 506 49 49 LEU CD2 C 25.982 0.300 2 507 49 49 LEU CG C 26.432 0.300 1 508 49 49 LEU N N 125.594 0.300 1 509 50 50 ASP H H 8.485 0.030 1 510 50 50 ASP HA H 4.643 0.030 1 511 50 50 ASP HB2 H 2.895 0.030 2 512 50 50 ASP HB3 H 2.627 0.030 2 513 50 50 ASP CA C 52.855 0.300 1 514 50 50 ASP CB C 42.605 0.300 1 515 51 51 PRO HA H 4.025 0.030 1 516 51 51 PRO HB2 H 2.413 0.030 2 517 51 51 PRO HB3 H 1.995 0.030 2 518 51 51 PRO HD2 H 3.902 0.030 2 519 51 51 PRO HD3 H 3.855 0.030 2 520 51 51 PRO HG2 H 2.150 0.030 2 521 51 51 PRO HG3 H 2.028 0.030 2 522 51 51 PRO C C 179.166 0.300 1 523 51 51 PRO CA C 65.861 0.300 1 524 51 51 PRO CB C 32.458 0.300 1 525 51 51 PRO CD C 51.266 0.300 1 526 51 51 PRO CG C 27.652 0.300 1 527 52 52 LYS H H 8.866 0.030 1 528 52 52 LYS HA H 4.165 0.030 1 529 52 52 LYS HB2 H 1.956 0.030 2 530 52 52 LYS HB3 H 1.856 0.030 2 531 52 52 LYS HD2 H 1.755 0.030 1 532 52 52 LYS HD3 H 1.755 0.030 1 533 52 52 LYS HG2 H 1.570 0.030 2 534 52 52 LYS HG3 H 1.484 0.030 2 535 52 52 LYS C C 179.542 0.300 1 536 52 52 LYS CA C 59.484 0.300 1 537 52 52 LYS CB C 31.906 0.300 1 538 52 52 LYS CD C 28.885 0.300 1 539 52 52 LYS CE C 41.881 0.300 1 540 52 52 LYS CG C 25.102 0.300 1 541 52 52 LYS N N 118.625 0.300 1 542 53 53 GLU H H 7.727 0.030 1 543 53 53 GLU HA H 4.343 0.030 1 544 53 53 GLU HB2 H 2.276 0.030 1 545 53 53 GLU HB3 H 2.276 0.030 1 546 53 53 GLU HG2 H 2.485 0.030 2 547 53 53 GLU HG3 H 2.583 0.030 2 548 53 53 GLU C C 179.335 0.300 1 549 53 53 GLU CA C 58.355 0.300 1 550 53 53 GLU CB C 29.726 0.300 1 551 53 53 GLU CG C 36.041 0.300 1 552 53 53 GLU N N 120.460 0.300 1 553 54 54 LYS H H 8.194 0.030 1 554 54 54 LYS HA H 3.949 0.030 1 555 54 54 LYS HB2 H 1.615 0.030 2 556 54 54 LYS HB3 H 1.526 0.030 2 557 54 54 LYS HD2 H 1.042 0.030 1 558 54 54 LYS HD3 H 1.042 0.030 1 559 54 54 LYS HE2 H 1.725 0.030 2 560 54 54 LYS HE3 H 1.665 0.030 2 561 54 54 LYS HG2 H 0.794 0.030 2 562 54 54 LYS HG3 H 0.083 0.030 2 563 54 54 LYS C C 179.566 0.300 1 564 54 54 LYS CA C 60.920 0.300 1 565 54 54 LYS CB C 32.481 0.300 1 566 54 54 LYS CD C 29.084 0.300 1 567 54 54 LYS CE C 42.045 0.300 1 568 54 54 LYS CG C 25.879 0.300 1 569 54 54 LYS N N 118.859 0.300 1 570 55 55 GLN H H 7.965 0.030 1 571 55 55 GLN HA H 4.025 0.030 1 572 55 55 GLN HB2 H 2.314 0.030 2 573 55 55 GLN HB3 H 2.112 0.030 2 574 55 55 GLN HE21 H 6.906 0.030 2 575 55 55 GLN HE22 H 7.924 0.030 2 576 55 55 GLN HG2 H 2.472 0.030 1 577 55 55 GLN HG3 H 2.472 0.030 1 578 55 55 GLN C C 177.154 0.300 1 579 55 55 GLN CA C 58.064 0.300 1 580 55 55 GLN CB C 28.163 0.300 1 581 55 55 GLN CG C 33.327 0.300 1 582 55 55 GLN N N 117.922 0.300 1 583 55 55 GLN NE2 N 114.973 0.300 1 584 56 56 LYS H H 7.483 0.030 1 585 56 56 LYS HA H 4.205 0.030 1 586 56 56 LYS HB2 H 1.846 0.030 2 587 56 56 LYS HB3 H 1.944 0.030 2 588 56 56 LYS HD2 H 1.680 0.030 1 589 56 56 LYS HD3 H 1.680 0.030 1 590 56 56 LYS HE2 H 2.954 0.030 2 591 56 56 LYS HE3 H 2.866 0.030 2 592 56 56 LYS HG2 H 1.284 0.030 2 593 56 56 LYS HG3 H 1.535 0.030 2 594 56 56 LYS C C 179.772 0.300 1 595 56 56 LYS CA C 59.671 0.300 1 596 56 56 LYS CB C 31.700 0.300 1 597 56 56 LYS CD C 29.461 0.300 1 598 56 56 LYS CE C 42.145 0.300 1 599 56 56 LYS CG C 24.855 0.300 1 600 56 56 LYS N N 118.491 0.300 1 601 57 57 TYR H H 7.707 0.030 1 602 57 57 TYR HA H 4.344 0.030 1 603 57 57 TYR HB2 H 3.605 0.030 2 604 57 57 TYR HB3 H 3.505 0.030 2 605 57 57 TYR HD1 H 7.525 0.030 1 606 57 57 TYR HD2 H 7.525 0.030 1 607 57 57 TYR HE1 H 7.039 0.030 1 608 57 57 TYR HE2 H 7.039 0.030 1 609 57 57 TYR C C 177.966 0.300 1 610 57 57 TYR CA C 62.784 0.300 1 611 57 57 TYR CB C 38.973 0.300 1 612 57 57 TYR CD1 C 133.668 0.300 1 613 57 57 TYR CD2 C 133.668 0.300 1 614 57 57 TYR CE1 C 118.266 0.300 1 615 57 57 TYR CE2 C 118.266 0.300 1 616 57 57 TYR N N 117.968 0.300 1 617 58 58 THR H H 8.458 0.030 1 618 58 58 THR HA H 4.074 0.030 1 619 58 58 THR HB H 4.506 0.030 1 620 58 58 THR HG2 H 1.392 0.030 1 621 58 58 THR C C 177.203 0.300 1 622 58 58 THR CA C 67.168 0.300 1 623 58 58 THR CB C 68.401 0.300 1 624 58 58 THR CG2 C 22.059 0.300 1 625 58 58 THR N N 118.700 0.300 1 626 59 59 ASP H H 8.807 0.030 1 627 59 59 ASP HA H 4.514 0.030 1 628 59 59 ASP HB2 H 2.842 0.030 2 629 59 59 ASP HB3 H 2.732 0.030 2 630 59 59 ASP C C 179.154 0.300 1 631 59 59 ASP CA C 57.754 0.300 1 632 59 59 ASP CB C 39.801 0.300 1 633 59 59 ASP N N 123.812 0.300 1 634 60 60 MET H H 8.085 0.030 1 635 60 60 MET HA H 4.161 0.030 1 636 60 60 MET HB2 H 2.270 0.030 2 637 60 60 MET HB3 H 2.091 0.030 2 638 60 60 MET HE H 1.916 0.030 1 639 60 60 MET HG2 H 2.515 0.030 2 640 60 60 MET HG3 H 2.773 0.030 2 641 60 60 MET C C 178.378 0.300 1 642 60 60 MET CA C 58.980 0.300 1 643 60 60 MET CB C 34.227 0.300 1 644 60 60 MET CE C 16.550 0.300 1 645 60 60 MET CG C 31.929 0.300 1 646 60 60 MET N N 120.481 0.300 1 647 61 61 ALA H H 8.296 0.030 1 648 61 61 ALA HA H 4.114 0.030 1 649 61 61 ALA HB H 1.515 0.030 1 650 61 61 ALA C C 179.408 0.300 1 651 61 61 ALA CA C 54.935 0.300 1 652 61 61 ALA CB C 17.759 0.300 1 653 61 61 ALA N N 121.147 0.300 1 654 62 62 LYS H H 7.812 0.030 1 655 62 62 LYS HA H 4.177 0.030 1 656 62 62 LYS HB2 H 2.054 0.030 1 657 62 62 LYS HB3 H 2.054 0.030 1 658 62 62 LYS HD2 H 1.765 0.030 2 659 62 62 LYS HD3 H 1.806 0.030 2 660 62 62 LYS HE2 H 3.061 0.030 1 661 62 62 LYS HE3 H 3.061 0.030 1 662 62 62 LYS HG2 H 1.678 0.030 2 663 62 62 LYS HG3 H 1.535 0.030 2 664 62 62 LYS C C 177.979 0.300 1 665 62 62 LYS CA C 59.289 0.300 1 666 62 62 LYS CB C 32.539 0.300 1 667 62 62 LYS CD C 29.379 0.300 1 668 62 62 LYS CE C 42.210 0.300 1 669 62 62 LYS CG C 25.184 0.300 1 670 62 62 LYS N N 119.686 0.300 1 671 63 63 GLU H H 7.810 0.030 1 672 63 63 GLU HA H 4.216 0.030 1 673 63 63 GLU HB2 H 2.104 0.030 1 674 63 63 GLU HB3 H 2.104 0.030 1 675 63 63 GLU HG2 H 2.254 0.030 2 676 63 63 GLU HG3 H 2.390 0.030 2 677 63 63 GLU C C 178.597 0.300 1 678 63 63 GLU CA C 58.386 0.300 1 679 63 63 GLU CB C 29.644 0.300 1 680 63 63 GLU CG C 36.288 0.300 1 681 63 63 GLU N N 118.765 0.300 1 682 64 64 TYR H H 8.098 0.030 1 683 64 64 TYR HA H 4.395 0.030 1 684 64 64 TYR HB2 H 3.141 0.030 1 685 64 64 TYR HB3 H 3.141 0.030 1 686 64 64 TYR HD1 H 7.173 0.030 1 687 64 64 TYR HD2 H 7.173 0.030 1 688 64 64 TYR HE1 H 6.818 0.030 1 689 64 64 TYR HE2 H 6.818 0.030 1 690 64 64 TYR C C 177.639 0.300 1 691 64 64 TYR CA C 60.006 0.300 1 692 64 64 TYR CB C 38.198 0.300 1 693 64 64 TYR CD1 C 132.938 0.300 1 694 64 64 TYR CD2 C 132.938 0.300 1 695 64 64 TYR CE1 C 118.266 0.300 1 696 64 64 TYR CE2 C 118.266 0.300 1 697 64 64 TYR N N 119.914 0.300 1 698 65 65 LYS H H 8.225 0.030 1 699 65 65 LYS HA H 4.146 0.030 1 700 65 65 LYS HB2 H 2.015 0.030 2 701 65 65 LYS HB3 H 1.952 0.030 2 702 65 65 LYS HD2 H 1.765 0.030 1 703 65 65 LYS HD3 H 1.765 0.030 1 704 65 65 LYS HE2 H 3.055 0.030 1 705 65 65 LYS HE3 H 3.055 0.030 1 706 65 65 LYS HG2 H 1.524 0.030 1 707 65 65 LYS HG3 H 1.524 0.030 1 708 65 65 LYS C C 177.481 0.300 1 709 65 65 LYS CA C 58.793 0.300 1 710 65 65 LYS CB C 32.523 0.300 1 711 65 65 LYS CD C 29.261 0.300 1 712 65 65 LYS CE C 42.292 0.300 1 713 65 65 LYS CG C 25.137 0.300 1 714 65 65 LYS N N 122.842 0.300 1 715 66 66 ASP H H 8.402 0.030 1 716 66 66 ASP HA H 4.485 0.030 1 717 66 66 ASP HB2 H 2.747 0.030 2 718 66 66 ASP HB3 H 2.692 0.030 2 719 66 66 ASP C C 177.930 0.300 1 720 66 66 ASP CA C 56.423 0.300 1 721 66 66 ASP CB C 40.829 0.300 1 722 66 66 ASP N N 120.424 0.300 1 723 67 67 ALA H H 7.989 0.030 1 724 67 67 ALA HA H 4.151 0.030 1 725 67 67 ALA HB H 1.412 0.030 1 726 67 67 ALA C C 179.457 0.300 1 727 67 67 ALA CA C 54.274 0.300 1 728 67 67 ALA CB C 18.499 0.300 1 729 67 67 ALA N N 122.273 0.300 1 730 68 68 PHE H H 8.235 0.030 1 731 68 68 PHE HA H 4.314 0.030 1 732 68 68 PHE HB2 H 3.210 0.030 2 733 68 68 PHE HB3 H 3.090 0.030 2 734 68 68 PHE HD1 H 7.137 0.030 1 735 68 68 PHE HD2 H 7.137 0.030 1 736 68 68 PHE HE1 H 7.082 0.030 1 737 68 68 PHE HE2 H 7.082 0.030 1 738 68 68 PHE C C 177.421 0.300 1 739 68 68 PHE CA C 60.193 0.300 1 740 68 68 PHE CB C 39.390 0.300 1 741 68 68 PHE CD1 C 131.626 0.300 1 742 68 68 PHE CD2 C 131.626 0.300 1 743 68 68 PHE CE1 C 129.745 0.300 1 744 68 68 PHE CE2 C 129.745 0.300 1 745 68 68 PHE N N 119.632 0.300 1 746 69 69 MET H H 8.325 0.030 1 747 69 69 MET HA H 4.296 0.030 1 748 69 69 MET HB2 H 2.152 0.030 1 749 69 69 MET HB3 H 2.152 0.030 1 750 69 69 MET HE H 2.193 0.030 1 751 69 69 MET HG2 H 2.787 0.030 2 752 69 69 MET HG3 H 2.684 0.030 2 753 69 69 MET C C 177.651 0.300 1 754 69 69 MET CA C 56.645 0.300 1 755 69 69 MET CB C 32.108 0.300 1 756 69 69 MET CE C 16.846 0.300 1 757 69 69 MET CG C 32.093 0.300 1 758 69 69 MET N N 119.223 0.300 1 759 70 70 LYS H H 7.864 0.030 1 760 70 70 LYS HA H 4.092 0.030 1 761 70 70 LYS HB2 H 1.850 0.030 2 762 70 70 LYS HB3 H 1.821 0.030 2 763 70 70 LYS HD2 H 1.670 0.030 1 764 70 70 LYS HD3 H 1.670 0.030 1 765 70 70 LYS HE2 H 2.995 0.030 1 766 70 70 LYS HE3 H 2.995 0.030 1 767 70 70 LYS HG2 H 1.523 0.030 2 768 70 70 LYS HG3 H 1.435 0.030 2 769 70 70 LYS C C 177.009 0.300 1 770 70 70 LYS CA C 57.769 0.300 1 771 70 70 LYS CB C 32.687 0.300 1 772 70 70 LYS CD C 29.297 0.300 1 773 70 70 LYS CE C 42.172 0.300 1 774 70 70 LYS CG C 25.184 0.300 1 775 70 70 LYS N N 120.004 0.300 1 776 71 71 ALA H H 7.670 0.030 1 777 71 71 ALA HA H 4.264 0.030 1 778 71 71 ALA HB H 1.347 0.030 1 779 71 71 ALA C C 177.009 0.300 1 780 71 71 ALA CA C 52.603 0.300 1 781 71 71 ALA CB C 19.321 0.300 1 782 71 71 ALA N N 121.270 0.300 1 783 72 72 ASN H H 7.846 0.030 1 784 72 72 ASN HA H 4.972 0.030 1 785 72 72 ASN HB2 H 2.543 0.030 2 786 72 72 ASN HB3 H 2.424 0.030 2 787 72 72 ASN HD21 H 7.022 0.030 2 788 72 72 ASN HD22 H 6.805 0.030 2 789 72 72 ASN C C 172.453 0.300 1 790 72 72 ASN CA C 51.185 0.300 1 791 72 72 ASN CB C 39.350 0.300 1 792 72 72 ASN N N 117.432 0.300 1 793 72 72 ASN ND2 N 115.229 0.300 1 794 73 73 PRO HA H 4.465 0.030 1 795 73 73 PRO HB2 H 2.305 0.030 2 796 73 73 PRO HB3 H 1.949 0.030 2 797 73 73 PRO HD2 H 3.599 0.030 2 798 73 73 PRO HD3 H 3.667 0.030 2 799 73 73 PRO HG2 H 2.013 0.030 1 800 73 73 PRO HG3 H 2.013 0.030 1 801 73 73 PRO C C 177.857 0.300 1 802 73 73 PRO CA C 63.972 0.300 1 803 73 73 PRO CB C 31.884 0.300 1 804 73 73 PRO CD C 50.482 0.300 1 805 73 73 PRO CG C 27.276 0.300 1 806 74 74 GLY H H 8.538 0.030 1 807 74 74 GLY HA2 H 3.881 0.030 2 808 74 74 GLY HA3 H 3.957 0.030 2 809 74 74 GLY C C 174.210 0.300 1 810 74 74 GLY CA C 45.216 0.300 1 811 74 74 GLY N N 108.444 0.300 1 812 75 75 TYR H H 7.878 0.030 1 813 75 75 TYR HA H 4.449 0.030 1 814 75 75 TYR HB2 H 3.056 0.030 2 815 75 75 TYR HB3 H 3.122 0.030 2 816 75 75 TYR HD1 H 7.151 0.030 1 817 75 75 TYR HD2 H 7.151 0.030 1 818 75 75 TYR HE1 H 6.845 0.030 1 819 75 75 TYR HE2 H 6.845 0.030 1 820 75 75 TYR C C 175.640 0.300 1 821 75 75 TYR CA C 58.778 0.300 1 822 75 75 TYR CB C 38.856 0.300 1 823 75 75 TYR CD1 C 133.206 0.300 1 824 75 75 TYR CD2 C 133.206 0.300 1 825 75 75 TYR CE1 C 118.320 0.300 1 826 75 75 TYR CE2 C 118.320 0.300 1 827 75 75 TYR N N 120.970 0.300 1 828 76 76 ARG H H 8.039 0.030 1 829 76 76 ARG HA H 4.346 0.030 1 830 76 76 ARG HB2 H 1.815 0.030 2 831 76 76 ARG HB3 H 1.686 0.030 2 832 76 76 ARG HD2 H 3.183 0.030 1 833 76 76 ARG HD3 H 3.183 0.030 1 834 76 76 ARG HG2 H 1.564 0.030 1 835 76 76 ARG HG3 H 1.564 0.030 1 836 76 76 ARG C C 175.482 0.300 1 837 76 76 ARG CA C 55.510 0.300 1 838 76 76 ARG CB C 31.307 0.300 1 839 76 76 ARG CD C 43.423 0.300 1 840 76 76 ARG CG C 26.860 0.300 1 841 76 76 ARG N N 124.540 0.300 1 842 77 77 SER HA H 4.430 0.030 1 843 77 77 SER HB2 H 3.906 0.030 1 844 77 77 SER HB3 H 3.906 0.030 1 845 77 77 SER CA C 58.319 0.300 1 846 77 77 SER CB C 63.982 0.300 1 847 78 78 GLY HA2 H 4.154 0.030 1 848 78 78 GLY HA3 H 4.154 0.030 1 849 78 78 GLY CA C 44.731 0.300 1 850 79 79 PRO HA H 4.495 0.030 1 851 79 79 PRO HB2 H 2.315 0.030 2 852 79 79 PRO HB3 H 2.012 0.030 2 853 79 79 PRO HD2 H 3.635 0.030 2 854 79 79 PRO HD3 H 3.665 0.030 2 855 79 79 PRO CA C 63.366 0.300 1 856 79 79 PRO CB C 32.289 0.300 1 857 79 79 PRO CD C 49.844 0.300 1 858 79 79 PRO CG C 27.228 0.300 1 stop_ save_