data_10335 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 10th filamin domain from human Filamin-B ; _BMRB_accession_number 10335 _BMRB_flat_file_name bmr10335.str _Entry_type new _Submission_date 2009-04-14 _Accession_date 2009-04-14 _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 Tomizawa T. . . 2 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 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" 537 "13C chemical shifts" 427 "15N chemical shifts" 95 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-04-14 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the 10th filamin domain from human Filamin-B' _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 Tomizawa T. . . 2 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 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 Filamin-B _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Filamin 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 'Filamin domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; GSSGSSGPFDPSKVVASGPG LEHGKVGEAGLLSVDCSEAG PGALGLEAVSDSGTKAEVSI QNNKDGTYAVTYVPLTAGMY TLTMKYGGELVPHFPARVKV EPAVDTSSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 PHE 10 ASP 11 PRO 12 SER 13 LYS 14 VAL 15 VAL 16 ALA 17 SER 18 GLY 19 PRO 20 GLY 21 LEU 22 GLU 23 HIS 24 GLY 25 LYS 26 VAL 27 GLY 28 GLU 29 ALA 30 GLY 31 LEU 32 LEU 33 SER 34 VAL 35 ASP 36 CYS 37 SER 38 GLU 39 ALA 40 GLY 41 PRO 42 GLY 43 ALA 44 LEU 45 GLY 46 LEU 47 GLU 48 ALA 49 VAL 50 SER 51 ASP 52 SER 53 GLY 54 THR 55 LYS 56 ALA 57 GLU 58 VAL 59 SER 60 ILE 61 GLN 62 ASN 63 ASN 64 LYS 65 ASP 66 GLY 67 THR 68 TYR 69 ALA 70 VAL 71 THR 72 TYR 73 VAL 74 PRO 75 LEU 76 THR 77 ALA 78 GLY 79 MET 80 TYR 81 THR 82 LEU 83 THR 84 MET 85 LYS 86 TYR 87 GLY 88 GLY 89 GLU 90 LEU 91 VAL 92 PRO 93 HIS 94 PHE 95 PRO 96 ALA 97 ARG 98 VAL 99 LYS 100 VAL 101 GLU 102 PRO 103 ALA 104 VAL 105 ASP 106 THR 107 SER 108 SER 109 GLY 110 PRO 111 SER 112 SER 113 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 2DIA "Solution Structure Of The 10th Filamin Domain From Human Filamin-B" 100.00 113 100.00 100.00 1.18e-71 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 P051205-11 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 1.11 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 0.9742 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Filamin domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 8 8 PRO HA H 4.467 0.030 1 2 8 8 PRO HB2 H 2.233 0.030 2 3 8 8 PRO HB3 H 1.882 0.030 2 4 8 8 PRO HD2 H 3.598 0.030 1 5 8 8 PRO HD3 H 3.598 0.030 1 6 8 8 PRO HG2 H 1.964 0.030 1 7 8 8 PRO HG3 H 1.964 0.030 1 8 8 8 PRO C C 176.746 0.300 1 9 8 8 PRO CA C 62.209 0.300 1 10 8 8 PRO CB C 32.235 0.300 1 11 8 8 PRO CD C 49.533 0.300 1 12 8 8 PRO CG C 27.082 0.300 1 13 9 9 PHE H H 8.546 0.030 1 14 9 9 PHE HA H 4.990 0.030 1 15 9 9 PHE HB2 H 3.265 0.030 2 16 9 9 PHE HB3 H 2.837 0.030 2 17 9 9 PHE HD1 H 7.393 0.030 1 18 9 9 PHE HD2 H 7.393 0.030 1 19 9 9 PHE HE1 H 7.144 0.030 1 20 9 9 PHE HE2 H 7.144 0.030 1 21 9 9 PHE HZ H 7.469 0.030 1 22 9 9 PHE C C 176.180 0.300 1 23 9 9 PHE CA C 57.633 0.300 1 24 9 9 PHE CB C 39.337 0.300 1 25 9 9 PHE CD1 C 132.796 0.300 1 26 9 9 PHE CD2 C 132.796 0.300 1 27 9 9 PHE CE1 C 130.989 0.300 1 28 9 9 PHE CE2 C 130.989 0.300 1 29 9 9 PHE CZ C 130.809 0.300 1 30 9 9 PHE N N 120.834 0.300 1 31 10 10 ASP H H 8.388 0.030 1 32 10 10 ASP HA H 4.466 0.030 1 33 10 10 ASP HB2 H 2.718 0.030 2 34 10 10 ASP HB3 H 2.296 0.030 2 35 10 10 ASP C C 173.363 0.300 1 36 10 10 ASP CA C 51.122 0.300 1 37 10 10 ASP CB C 40.341 0.300 1 38 10 10 ASP N N 126.003 0.300 1 39 11 11 PRO HA H 4.085 0.030 1 40 11 11 PRO HB2 H 2.193 0.030 2 41 11 11 PRO HB3 H 1.996 0.030 2 42 11 11 PRO HD2 H 3.481 0.030 2 43 11 11 PRO HD3 H 1.856 0.030 2 44 11 11 PRO HG2 H 1.710 0.030 2 45 11 11 PRO HG3 H 1.937 0.030 2 46 11 11 PRO C C 176.257 0.300 1 47 11 11 PRO CA C 64.107 0.300 1 48 11 11 PRO CB C 31.695 0.300 1 49 11 11 PRO CD C 49.258 0.300 1 50 11 11 PRO CG C 27.475 0.300 1 51 12 12 SER H H 7.710 0.030 1 52 12 12 SER HA H 4.156 0.030 1 53 12 12 SER HB2 H 3.933 0.030 2 54 12 12 SER HB3 H 3.837 0.030 2 55 12 12 SER C C 175.376 0.300 1 56 12 12 SER CA C 60.666 0.300 1 57 12 12 SER CB C 62.798 0.300 1 58 12 12 SER N N 111.700 0.300 1 59 13 13 LYS H H 7.359 0.030 1 60 13 13 LYS HA H 4.219 0.030 1 61 13 13 LYS HB2 H 1.753 0.030 2 62 13 13 LYS HB3 H 1.397 0.030 2 63 13 13 LYS HD2 H 1.524 0.030 1 64 13 13 LYS HD3 H 1.524 0.030 1 65 13 13 LYS HE2 H 2.889 0.030 1 66 13 13 LYS HE3 H 2.889 0.030 1 67 13 13 LYS HG2 H 1.090 0.030 2 68 13 13 LYS HG3 H 1.355 0.030 2 69 13 13 LYS C C 176.424 0.300 1 70 13 13 LYS CA C 54.875 0.300 1 71 13 13 LYS CB C 32.647 0.300 1 72 13 13 LYS CD C 28.514 0.300 1 73 13 13 LYS CE C 42.392 0.300 1 74 13 13 LYS CG C 25.207 0.300 1 75 13 13 LYS N N 119.564 0.300 1 76 14 14 VAL H H 7.143 0.030 1 77 14 14 VAL HA H 3.921 0.030 1 78 14 14 VAL HB H 1.974 0.030 1 79 14 14 VAL HG1 H 0.510 0.030 1 80 14 14 VAL HG2 H 0.415 0.030 1 81 14 14 VAL C C 175.788 0.300 1 82 14 14 VAL CA C 63.710 0.300 1 83 14 14 VAL CB C 31.740 0.300 1 84 14 14 VAL CG1 C 22.576 0.300 2 85 14 14 VAL CG2 C 23.329 0.300 2 86 14 14 VAL N N 122.647 0.300 1 87 15 15 VAL H H 8.230 0.030 1 88 15 15 VAL HA H 4.270 0.030 1 89 15 15 VAL HB H 2.028 0.030 1 90 15 15 VAL HG1 H 0.907 0.030 1 91 15 15 VAL C C 174.728 0.300 1 92 15 15 VAL CA C 61.635 0.300 1 93 15 15 VAL CB C 34.533 0.300 1 94 15 15 VAL CG1 C 20.891 0.300 2 95 15 15 VAL N N 128.115 0.300 1 96 16 16 ALA H H 8.876 0.030 1 97 16 16 ALA HA H 5.529 0.030 1 98 16 16 ALA HB H 1.483 0.030 1 99 16 16 ALA C C 175.322 0.300 1 100 16 16 ALA CA C 50.173 0.300 1 101 16 16 ALA CB C 22.523 0.300 1 102 16 16 ALA N N 131.515 0.300 1 103 17 17 SER H H 9.048 0.030 1 104 17 17 SER HA H 4.659 0.030 1 105 17 17 SER HB2 H 3.869 0.030 2 106 17 17 SER HB3 H 3.787 0.030 2 107 17 17 SER C C 172.743 0.300 1 108 17 17 SER CA C 57.494 0.300 1 109 17 17 SER CB C 65.955 0.300 1 110 17 17 SER N N 115.405 0.300 1 111 18 18 GLY H H 8.396 0.030 1 112 18 18 GLY HA2 H 5.129 0.030 2 113 18 18 GLY HA3 H 3.984 0.030 2 114 18 18 GLY C C 173.703 0.300 1 115 18 18 GLY CA C 44.936 0.300 1 116 18 18 GLY N N 107.471 0.300 1 117 19 19 PRO HA H 4.415 0.030 1 118 19 19 PRO HB2 H 2.358 0.030 2 119 19 19 PRO HB3 H 2.175 0.030 2 120 19 19 PRO HD2 H 3.578 0.030 2 121 19 19 PRO HD3 H 3.763 0.030 2 122 19 19 PRO HG2 H 2.280 0.030 2 123 19 19 PRO HG3 H 2.136 0.030 2 124 19 19 PRO C C 179.601 0.300 1 125 19 19 PRO CA C 64.889 0.300 1 126 19 19 PRO CB C 31.168 0.300 1 127 19 19 PRO CD C 49.936 0.300 1 128 19 19 PRO CG C 27.592 0.300 1 129 20 20 GLY H H 9.365 0.030 1 130 20 20 GLY HA2 H 4.309 0.030 2 131 20 20 GLY HA3 H 3.216 0.030 2 132 20 20 GLY C C 174.220 0.300 1 133 20 20 GLY CA C 45.654 0.300 1 134 20 20 GLY N N 106.379 0.300 1 135 21 21 LEU H H 7.634 0.030 1 136 21 21 LEU HA H 4.171 0.030 1 137 21 21 LEU HB2 H 1.721 0.030 2 138 21 21 LEU HB3 H 1.562 0.030 2 139 21 21 LEU HD1 H 0.719 0.030 1 140 21 21 LEU HD2 H 0.634 0.030 1 141 21 21 LEU HG H 1.395 0.030 1 142 21 21 LEU C C 176.485 0.300 1 143 21 21 LEU CA C 55.179 0.300 1 144 21 21 LEU CB C 42.754 0.300 1 145 21 21 LEU CD1 C 24.765 0.300 2 146 21 21 LEU CD2 C 23.496 0.300 2 147 21 21 LEU CG C 27.251 0.300 1 148 21 21 LEU N N 117.627 0.300 1 149 22 22 GLU H H 7.692 0.030 1 150 22 22 GLU HA H 4.345 0.030 1 151 22 22 GLU HB2 H 2.030 0.030 1 152 22 22 GLU HB3 H 2.030 0.030 1 153 22 22 GLU HG2 H 2.241 0.030 2 154 22 22 GLU HG3 H 2.122 0.030 2 155 22 22 GLU C C 176.097 0.300 1 156 22 22 GLU CA C 57.219 0.300 1 157 22 22 GLU CB C 32.234 0.300 1 158 22 22 GLU CG C 36.128 0.300 1 159 22 22 GLU N N 117.358 0.300 1 160 23 23 HIS H H 7.831 0.030 1 161 23 23 HIS HA H 4.792 0.030 1 162 23 23 HIS HB2 H 3.375 0.030 2 163 23 23 HIS HB3 H 3.206 0.030 2 164 23 23 HIS HD2 H 7.113 0.030 1 165 23 23 HIS HE1 H 8.099 0.030 1 166 23 23 HIS C C 173.264 0.300 1 167 23 23 HIS CA C 55.573 0.300 1 168 23 23 HIS CB C 32.229 0.300 1 169 23 23 HIS CD2 C 120.831 0.300 1 170 23 23 HIS CE1 C 137.526 0.300 1 171 23 23 HIS N N 114.885 0.300 1 172 24 24 GLY H H 7.882 0.030 1 173 24 24 GLY HA2 H 4.519 0.030 2 174 24 24 GLY HA3 H 3.581 0.030 2 175 24 24 GLY C C 172.040 0.300 1 176 24 24 GLY CA C 45.217 0.300 1 177 24 24 GLY N N 106.390 0.300 1 178 25 25 LYS H H 9.144 0.030 1 179 25 25 LYS HA H 4.893 0.030 1 180 25 25 LYS HB2 H 1.513 0.030 2 181 25 25 LYS HB3 H 1.400 0.030 2 182 25 25 LYS HD2 H 1.593 0.030 2 183 25 25 LYS HD3 H 1.548 0.030 2 184 25 25 LYS HE2 H 2.911 0.030 1 185 25 25 LYS HE3 H 2.911 0.030 1 186 25 25 LYS HG2 H 1.297 0.030 2 187 25 25 LYS HG3 H 1.190 0.030 2 188 25 25 LYS C C 174.254 0.300 1 189 25 25 LYS CA C 55.509 0.300 1 190 25 25 LYS CB C 35.873 0.300 1 191 25 25 LYS CD C 29.427 0.300 1 192 25 25 LYS CE C 42.107 0.300 1 193 25 25 LYS CG C 24.589 0.300 1 194 25 25 LYS N N 124.268 0.300 1 195 26 26 VAL H H 7.899 0.030 1 196 26 26 VAL HA H 3.200 0.030 1 197 26 26 VAL HB H 1.756 0.030 1 198 26 26 VAL HG1 H 0.742 0.030 1 199 26 26 VAL HG2 H 0.762 0.030 1 200 26 26 VAL C C 176.425 0.300 1 201 26 26 VAL CA C 65.006 0.300 1 202 26 26 VAL CB C 31.798 0.300 1 203 26 26 VAL CG1 C 21.236 0.300 2 204 26 26 VAL CG2 C 23.414 0.300 2 205 26 26 VAL N N 123.953 0.300 1 206 27 27 GLY H H 8.560 0.030 1 207 27 27 GLY HA2 H 4.086 0.030 2 208 27 27 GLY HA3 H 3.351 0.030 2 209 27 27 GLY C C 173.281 0.300 1 210 27 27 GLY CA C 45.161 0.300 1 211 27 27 GLY N N 111.992 0.300 1 212 28 28 GLU H H 8.156 0.030 1 213 28 28 GLU HA H 4.499 0.030 1 214 28 28 GLU HB2 H 1.898 0.030 2 215 28 28 GLU HB3 H 1.719 0.030 2 216 28 28 GLU HG2 H 2.010 0.030 2 217 28 28 GLU HG3 H 2.046 0.030 2 218 28 28 GLU C C 175.530 0.300 1 219 28 28 GLU CA C 54.103 0.300 1 220 28 28 GLU CB C 31.490 0.300 1 221 28 28 GLU CG C 36.191 0.300 1 222 28 28 GLU N N 120.759 0.300 1 223 29 29 ALA H H 8.517 0.030 1 224 29 29 ALA HA H 4.080 0.030 1 225 29 29 ALA HB H 1.106 0.030 1 226 29 29 ALA C C 177.751 0.300 1 227 29 29 ALA CA C 52.408 0.300 1 228 29 29 ALA CB C 18.260 0.300 1 229 29 29 ALA N N 125.330 0.300 1 230 30 30 GLY H H 9.194 0.030 1 231 30 30 GLY HA2 H 4.102 0.030 2 232 30 30 GLY HA3 H 2.524 0.030 2 233 30 30 GLY C C 172.231 0.300 1 234 30 30 GLY CA C 45.103 0.300 1 235 30 30 GLY N N 115.069 0.300 1 236 31 31 LEU H H 8.042 0.030 1 237 31 31 LEU HA H 4.839 0.030 1 238 31 31 LEU HB2 H 1.599 0.030 2 239 31 31 LEU HB3 H 1.500 0.030 2 240 31 31 LEU HD1 H 0.826 0.030 1 241 31 31 LEU HD2 H 0.772 0.030 1 242 31 31 LEU HG H 1.502 0.030 1 243 31 31 LEU C C 176.594 0.300 1 244 31 31 LEU CA C 55.289 0.300 1 245 31 31 LEU CB C 43.681 0.300 1 246 31 31 LEU CD1 C 24.367 0.300 2 247 31 31 LEU CD2 C 24.636 0.300 2 248 31 31 LEU CG C 27.452 0.300 1 249 31 31 LEU N N 125.487 0.300 1 250 32 32 LEU H H 9.155 0.030 1 251 32 32 LEU HA H 5.215 0.030 1 252 32 32 LEU HB2 H 1.586 0.030 2 253 32 32 LEU HB3 H 1.332 0.030 2 254 32 32 LEU HD1 H 0.704 0.030 1 255 32 32 LEU HD2 H 0.713 0.030 1 256 32 32 LEU HG H 1.561 0.030 1 257 32 32 LEU C C 175.853 0.300 1 258 32 32 LEU CA C 54.258 0.300 1 259 32 32 LEU CB C 45.393 0.300 1 260 32 32 LEU CD1 C 25.613 0.300 2 261 32 32 LEU CD2 C 26.836 0.300 2 262 32 32 LEU CG C 28.322 0.300 1 263 32 32 LEU N N 122.094 0.300 1 264 33 33 SER H H 9.161 0.030 1 265 33 33 SER HA H 5.128 0.030 1 266 33 33 SER HB2 H 3.704 0.030 2 267 33 33 SER HB3 H 3.820 0.030 2 268 33 33 SER C C 174.235 0.300 1 269 33 33 SER CA C 57.169 0.300 1 270 33 33 SER CB C 64.258 0.300 1 271 33 33 SER N N 118.895 0.300 1 272 34 34 VAL H H 8.807 0.030 1 273 34 34 VAL HA H 4.894 0.030 1 274 34 34 VAL HB H 1.885 0.030 1 275 34 34 VAL HG1 H 0.722 0.030 1 276 34 34 VAL HG2 H 0.742 0.030 1 277 34 34 VAL C C 174.020 0.300 1 278 34 34 VAL CA C 61.267 0.300 1 279 34 34 VAL CB C 34.711 0.300 1 280 34 34 VAL CG1 C 23.136 0.300 2 281 34 34 VAL CG2 C 21.748 0.300 2 282 34 34 VAL N N 124.622 0.300 1 283 35 35 ASP H H 9.184 0.030 1 284 35 35 ASP HA H 4.906 0.030 1 285 35 35 ASP HB2 H 3.027 0.030 2 286 35 35 ASP HB3 H 2.581 0.030 2 287 35 35 ASP C C 176.392 0.300 1 288 35 35 ASP CA C 53.592 0.300 1 289 35 35 ASP CB C 41.796 0.300 1 290 35 35 ASP N N 127.576 0.300 1 291 36 36 CYS H H 8.889 0.030 1 292 36 36 CYS HA H 4.409 0.030 1 293 36 36 CYS HB2 H 2.934 0.030 1 294 36 36 CYS HB3 H 2.934 0.030 1 295 36 36 CYS C C 177.184 0.300 1 296 36 36 CYS CA C 57.801 0.300 1 297 36 36 CYS CB C 28.058 0.300 1 298 36 36 CYS N N 124.058 0.300 1 299 37 37 SER H H 9.041 0.030 1 300 37 37 SER HB2 H 4.013 0.030 2 301 37 37 SER HB3 H 3.956 0.030 2 302 37 37 SER C C 176.036 0.300 1 303 37 37 SER CA C 63.019 0.300 1 304 37 37 SER CB C 62.991 0.300 1 305 37 37 SER N N 121.859 0.300 1 306 38 38 GLU H H 8.640 0.030 1 307 38 38 GLU HA H 4.667 0.030 1 308 38 38 GLU HB2 H 2.351 0.030 2 309 38 38 GLU HB3 H 1.594 0.030 2 310 38 38 GLU HG2 H 2.138 0.030 2 311 38 38 GLU HG3 H 2.279 0.030 2 312 38 38 GLU C C 175.687 0.300 1 313 38 38 GLU CA C 55.284 0.300 1 314 38 38 GLU CB C 30.168 0.300 1 315 38 38 GLU CG C 36.273 0.300 1 316 38 38 GLU N N 120.283 0.300 1 317 39 39 ALA H H 7.356 0.030 1 318 39 39 ALA HA H 4.396 0.030 1 319 39 39 ALA HB H 0.990 0.030 1 320 39 39 ALA C C 176.114 0.300 1 321 39 39 ALA CA C 51.959 0.300 1 322 39 39 ALA CB C 23.070 0.300 1 323 39 39 ALA N N 121.674 0.300 1 324 40 40 GLY H H 7.984 0.030 1 325 40 40 GLY HA2 H 4.110 0.030 2 326 40 40 GLY HA3 H 3.566 0.030 2 327 40 40 GLY C C 171.638 0.300 1 328 40 40 GLY CA C 45.138 0.300 1 329 40 40 GLY N N 106.494 0.300 1 330 41 41 PRO HA H 4.672 0.030 1 331 41 41 PRO HB2 H 2.168 0.030 2 332 41 41 PRO HB3 H 1.827 0.030 2 333 41 41 PRO HD2 H 3.619 0.030 2 334 41 41 PRO HD3 H 3.701 0.030 2 335 41 41 PRO HG2 H 2.080 0.030 2 336 41 41 PRO HG3 H 2.023 0.030 2 337 41 41 PRO C C 175.384 0.300 1 338 41 41 PRO CA C 62.637 0.300 1 339 41 41 PRO CB C 32.481 0.300 1 340 41 41 PRO CD C 49.956 0.300 1 341 41 41 PRO CG C 26.794 0.300 1 342 42 42 GLY H H 7.512 0.030 1 343 42 42 GLY HA2 H 3.303 0.030 2 344 42 42 GLY HA3 H 2.835 0.030 2 345 42 42 GLY C C 170.430 0.300 1 346 42 42 GLY CA C 44.406 0.300 1 347 42 42 GLY N N 106.095 0.300 1 348 43 43 ALA H H 7.230 0.030 1 349 43 43 ALA HA H 4.718 0.030 1 350 43 43 ALA HB H 1.154 0.030 1 351 43 43 ALA C C 177.264 0.300 1 352 43 43 ALA CA C 50.055 0.300 1 353 43 43 ALA CB C 20.134 0.300 1 354 43 43 ALA N N 118.323 0.300 1 355 44 44 LEU H H 8.430 0.030 1 356 44 44 LEU HA H 5.044 0.030 1 357 44 44 LEU HB2 H 1.188 0.030 2 358 44 44 LEU HB3 H 0.786 0.030 2 359 44 44 LEU HD1 H 0.709 0.030 1 360 44 44 LEU HD2 H 0.206 0.030 1 361 44 44 LEU HG H 1.143 0.030 1 362 44 44 LEU C C 175.671 0.300 1 363 44 44 LEU CA C 53.794 0.300 1 364 44 44 LEU CB C 44.389 0.300 1 365 44 44 LEU CD1 C 23.233 0.300 2 366 44 44 LEU CD2 C 25.936 0.300 2 367 44 44 LEU CG C 27.235 0.300 1 368 44 44 LEU N N 127.170 0.300 1 369 45 45 GLY H H 8.859 0.030 1 370 45 45 GLY HA2 H 4.323 0.030 2 371 45 45 GLY HA3 H 3.568 0.030 2 372 45 45 GLY C C 170.930 0.300 1 373 45 45 GLY CA C 44.578 0.300 1 374 45 45 GLY N N 112.622 0.300 1 375 46 46 LEU H H 8.230 0.030 1 376 46 46 LEU HA H 4.894 0.030 1 377 46 46 LEU HB2 H 1.532 0.030 2 378 46 46 LEU HB3 H 1.011 0.030 2 379 46 46 LEU HD1 H 0.500 0.030 1 380 46 46 LEU HD2 H 0.557 0.030 1 381 46 46 LEU HG H 1.126 0.030 1 382 46 46 LEU C C 173.459 0.300 1 383 46 46 LEU CA C 54.105 0.300 1 384 46 46 LEU CB C 45.508 0.300 1 385 46 46 LEU CD1 C 23.799 0.300 2 386 46 46 LEU CD2 C 26.318 0.300 2 387 46 46 LEU CG C 27.263 0.300 1 388 46 46 LEU N N 121.015 0.300 1 389 47 47 GLU H H 8.032 0.030 1 390 47 47 GLU HA H 4.485 0.030 1 391 47 47 GLU HB2 H 1.803 0.030 2 392 47 47 GLU HB3 H 1.922 0.030 2 393 47 47 GLU HG2 H 2.170 0.030 2 394 47 47 GLU HG3 H 2.091 0.030 2 395 47 47 GLU C C 174.233 0.300 1 396 47 47 GLU CA C 54.830 0.300 1 397 47 47 GLU CB C 32.976 0.300 1 398 47 47 GLU CG C 36.505 0.300 1 399 47 47 GLU N N 124.260 0.300 1 400 48 48 ALA H H 9.375 0.030 1 401 48 48 ALA HA H 5.201 0.030 1 402 48 48 ALA HB H 0.731 0.030 1 403 48 48 ALA C C 174.204 0.300 1 404 48 48 ALA CA C 50.665 0.300 1 405 48 48 ALA CB C 20.968 0.300 1 406 48 48 ALA N N 128.851 0.300 1 407 49 49 VAL H H 8.245 0.030 1 408 49 49 VAL HA H 4.952 0.030 1 409 49 49 VAL HB H 1.824 0.030 1 410 49 49 VAL HG1 H 0.871 0.030 1 411 49 49 VAL HG2 H 0.875 0.030 1 412 49 49 VAL C C 175.147 0.300 1 413 49 49 VAL CA C 59.686 0.300 1 414 49 49 VAL CB C 35.699 0.300 1 415 49 49 VAL CG1 C 20.077 0.300 2 416 49 49 VAL CG2 C 20.579 0.300 2 417 49 49 VAL N N 121.526 0.300 1 418 50 50 SER H H 9.048 0.030 1 419 50 50 SER HA H 4.037 0.030 1 420 50 50 SER HB2 H 3.685 0.030 2 421 50 50 SER HB3 H 3.038 0.030 2 422 50 50 SER C C 176.601 0.300 1 423 50 50 SER CA C 57.235 0.300 1 424 50 50 SER CB C 64.381 0.300 1 425 50 50 SER N N 128.525 0.300 1 426 51 51 ASP H H 8.355 0.030 1 427 51 51 ASP HA H 4.340 0.030 1 428 51 51 ASP HB2 H 2.724 0.030 1 429 51 51 ASP HB3 H 2.724 0.030 1 430 51 51 ASP C C 176.617 0.300 1 431 51 51 ASP CA C 56.846 0.300 1 432 51 51 ASP CB C 39.323 0.300 1 433 51 51 ASP N N 123.744 0.300 1 434 52 52 SER HA H 4.486 0.030 1 435 52 52 SER HB2 H 3.970 0.030 2 436 52 52 SER HB3 H 3.818 0.030 2 437 52 52 SER C C 174.732 0.300 1 438 52 52 SER CA C 58.226 0.300 1 439 52 52 SER CB C 63.475 0.300 1 440 53 53 GLY H H 7.904 0.030 1 441 53 53 GLY HA2 H 4.257 0.030 2 442 53 53 GLY HA3 H 3.467 0.030 2 443 53 53 GLY C C 174.372 0.300 1 444 53 53 GLY CA C 45.267 0.300 1 445 53 53 GLY N N 110.808 0.300 1 446 54 54 THR H H 7.802 0.030 1 447 54 54 THR HA H 4.268 0.030 1 448 54 54 THR HB H 3.883 0.030 1 449 54 54 THR HG2 H 1.226 0.030 1 450 54 54 THR C C 173.880 0.300 1 451 54 54 THR CA C 62.509 0.300 1 452 54 54 THR CB C 69.249 0.300 1 453 54 54 THR CG2 C 22.441 0.300 1 454 54 54 THR N N 117.129 0.300 1 455 55 55 LYS H H 8.987 0.030 1 456 55 55 LYS HA H 4.850 0.030 1 457 55 55 LYS HB2 H 1.955 0.030 2 458 55 55 LYS HB3 H 1.798 0.030 2 459 55 55 LYS HD2 H 1.717 0.030 1 460 55 55 LYS HD3 H 1.717 0.030 1 461 55 55 LYS HE2 H 2.967 0.030 1 462 55 55 LYS HE3 H 2.967 0.030 1 463 55 55 LYS HG2 H 1.371 0.030 2 464 55 55 LYS HG3 H 1.595 0.030 2 465 55 55 LYS C C 177.591 0.300 1 466 55 55 LYS CA C 56.599 0.300 1 467 55 55 LYS CB C 33.306 0.300 1 468 55 55 LYS CD C 29.484 0.300 1 469 55 55 LYS CE C 42.043 0.300 1 470 55 55 LYS CG C 25.843 0.300 1 471 55 55 LYS N N 127.375 0.300 1 472 56 56 ALA H H 8.866 0.030 1 473 56 56 ALA HA H 4.748 0.030 1 474 56 56 ALA HB H 1.323 0.030 1 475 56 56 ALA C C 176.990 0.300 1 476 56 56 ALA CA C 51.081 0.300 1 477 56 56 ALA CB C 20.655 0.300 1 478 56 56 ALA N N 126.424 0.300 1 479 57 57 GLU H H 8.451 0.030 1 480 57 57 GLU HA H 4.321 0.030 1 481 57 57 GLU HB2 H 1.984 0.030 1 482 57 57 GLU HB3 H 1.984 0.030 1 483 57 57 GLU HG2 H 2.328 0.030 2 484 57 57 GLU HG3 H 2.211 0.030 2 485 57 57 GLU C C 176.810 0.300 1 486 57 57 GLU CA C 57.005 0.300 1 487 57 57 GLU CB C 30.338 0.300 1 488 57 57 GLU CG C 36.164 0.300 1 489 57 57 GLU N N 122.123 0.300 1 490 58 58 VAL H H 8.701 0.030 1 491 58 58 VAL HA H 5.036 0.030 1 492 58 58 VAL HB H 1.971 0.030 1 493 58 58 VAL HG1 H 0.933 0.030 1 494 58 58 VAL HG2 H 0.933 0.030 1 495 58 58 VAL C C 175.790 0.300 1 496 58 58 VAL CA C 61.353 0.300 1 497 58 58 VAL CB C 35.433 0.300 1 498 58 58 VAL CG1 C 21.518 0.300 1 499 58 58 VAL CG2 C 21.518 0.300 1 500 58 58 VAL N N 126.612 0.300 1 501 59 59 SER H H 9.047 0.030 1 502 59 59 SER HA H 4.811 0.030 1 503 59 59 SER HB2 H 3.748 0.030 2 504 59 59 SER HB3 H 3.683 0.030 2 505 59 59 SER C C 172.745 0.300 1 506 59 59 SER CA C 57.147 0.300 1 507 59 59 SER CB C 64.999 0.300 1 508 59 59 SER N N 122.417 0.300 1 509 60 60 ILE H H 8.805 0.030 1 510 60 60 ILE HA H 4.533 0.030 1 511 60 60 ILE HB H 1.844 0.030 1 512 60 60 ILE HD1 H 0.728 0.030 1 513 60 60 ILE HG12 H 1.615 0.030 2 514 60 60 ILE HG13 H 0.920 0.030 2 515 60 60 ILE HG2 H 0.862 0.030 1 516 60 60 ILE C C 174.752 0.300 1 517 60 60 ILE CA C 61.582 0.300 1 518 60 60 ILE CB C 40.229 0.300 1 519 60 60 ILE CD1 C 13.262 0.300 1 520 60 60 ILE CG1 C 27.983 0.300 1 521 60 60 ILE CG2 C 18.563 0.300 1 522 60 60 ILE N N 125.444 0.300 1 523 61 61 GLN H H 9.135 0.030 1 524 61 61 GLN HA H 4.779 0.030 1 525 61 61 GLN HB2 H 2.060 0.030 2 526 61 61 GLN HB3 H 2.200 0.030 2 527 61 61 GLN HE21 H 7.591 0.030 2 528 61 61 GLN HE22 H 6.830 0.030 2 529 61 61 GLN HG2 H 2.182 0.030 1 530 61 61 GLN HG3 H 2.182 0.030 1 531 61 61 GLN C C 173.994 0.300 1 532 61 61 GLN CA C 54.193 0.300 1 533 61 61 GLN CB C 31.222 0.300 1 534 61 61 GLN CG C 33.528 0.300 1 535 61 61 GLN N N 128.679 0.300 1 536 61 61 GLN NE2 N 112.717 0.300 1 537 62 62 ASN H H 9.084 0.030 1 538 62 62 ASN HA H 4.335 0.030 1 539 62 62 ASN HB2 H 3.077 0.030 2 540 62 62 ASN HB3 H 2.815 0.030 2 541 62 62 ASN HD21 H 7.113 0.030 2 542 62 62 ASN HD22 H 7.773 0.030 2 543 62 62 ASN C C 175.730 0.300 1 544 62 62 ASN CA C 52.472 0.300 1 545 62 62 ASN CB C 38.663 0.300 1 546 62 62 ASN N N 125.535 0.300 1 547 62 62 ASN ND2 N 112.079 0.300 1 548 63 63 ASN H H 8.181 0.030 1 549 63 63 ASN HA H 4.628 0.030 1 550 63 63 ASN HB2 H 2.895 0.030 2 551 63 63 ASN HB3 H 2.671 0.030 2 552 63 63 ASN HD21 H 6.220 0.030 2 553 63 63 ASN HD22 H 7.557 0.030 2 554 63 63 ASN C C 175.511 0.300 1 555 63 63 ASN CA C 54.169 0.300 1 556 63 63 ASN CB C 37.958 0.300 1 557 63 63 ASN N N 124.444 0.300 1 558 63 63 ASN ND2 N 112.401 0.300 1 559 64 64 LYS H H 8.794 0.030 1 560 64 64 LYS HA H 3.818 0.030 1 561 64 64 LYS HB2 H 2.058 0.030 2 562 64 64 LYS HB3 H 1.911 0.030 2 563 64 64 LYS HD2 H 1.608 0.030 2 564 64 64 LYS HD3 H 1.552 0.030 2 565 64 64 LYS HE2 H 2.955 0.030 1 566 64 64 LYS HE3 H 2.955 0.030 1 567 64 64 LYS HG2 H 1.243 0.030 2 568 64 64 LYS HG3 H 1.174 0.030 2 569 64 64 LYS C C 174.937 0.300 1 570 64 64 LYS CA C 58.244 0.300 1 571 64 64 LYS CB C 28.856 0.300 1 572 64 64 LYS CD C 28.772 0.300 1 573 64 64 LYS CE C 42.094 0.300 1 574 64 64 LYS CG C 24.980 0.300 1 575 64 64 LYS N N 113.751 0.300 1 576 65 65 ASP H H 7.770 0.030 1 577 65 65 ASP HA H 4.654 0.030 1 578 65 65 ASP HB2 H 3.014 0.030 2 579 65 65 ASP HB3 H 2.380 0.030 2 580 65 65 ASP C C 176.689 0.300 1 581 65 65 ASP CA C 52.331 0.300 1 582 65 65 ASP CB C 40.858 0.300 1 583 65 65 ASP N N 117.510 0.300 1 584 66 66 GLY H H 8.401 0.030 1 585 66 66 GLY HA2 H 4.263 0.030 2 586 66 66 GLY HA3 H 3.544 0.030 2 587 66 66 GLY C C 172.739 0.300 1 588 66 66 GLY CA C 45.098 0.300 1 589 66 66 GLY N N 109.373 0.300 1 590 67 67 THR H H 8.113 0.030 1 591 67 67 THR HA H 5.573 0.030 1 592 67 67 THR HB H 4.309 0.030 1 593 67 67 THR HG2 H 1.060 0.030 1 594 67 67 THR C C 173.958 0.300 1 595 67 67 THR CA C 60.143 0.300 1 596 67 67 THR CB C 72.956 0.300 1 597 67 67 THR CG2 C 21.057 0.300 1 598 67 67 THR N N 109.960 0.300 1 599 68 68 TYR H H 9.253 0.030 1 600 68 68 TYR HA H 5.274 0.030 1 601 68 68 TYR HB2 H 2.598 0.030 2 602 68 68 TYR HB3 H 2.462 0.030 2 603 68 68 TYR HD1 H 6.820 0.030 1 604 68 68 TYR HD2 H 6.820 0.030 1 605 68 68 TYR HE1 H 6.817 0.030 1 606 68 68 TYR HE2 H 6.817 0.030 1 607 68 68 TYR C C 175.442 0.300 1 608 68 68 TYR CA C 56.782 0.300 1 609 68 68 TYR CB C 43.175 0.300 1 610 68 68 TYR CD1 C 133.300 0.300 1 611 68 68 TYR CD2 C 133.300 0.300 1 612 68 68 TYR CE1 C 117.675 0.300 1 613 68 68 TYR CE2 C 117.675 0.300 1 614 68 68 TYR N N 116.897 0.300 1 615 69 69 ALA H H 9.085 0.030 1 616 69 69 ALA HA H 5.118 0.030 1 617 69 69 ALA HB H 1.454 0.030 1 618 69 69 ALA C C 176.403 0.300 1 619 69 69 ALA CA C 51.325 0.300 1 620 69 69 ALA CB C 20.426 0.300 1 621 69 69 ALA N N 126.041 0.300 1 622 70 70 VAL H H 9.094 0.030 1 623 70 70 VAL HA H 4.986 0.030 1 624 70 70 VAL HB H 1.966 0.030 1 625 70 70 VAL HG1 H 0.834 0.030 1 626 70 70 VAL HG2 H 0.814 0.030 1 627 70 70 VAL C C 174.015 0.300 1 628 70 70 VAL CA C 60.819 0.300 1 629 70 70 VAL CB C 34.482 0.300 1 630 70 70 VAL CG1 C 22.624 0.300 2 631 70 70 VAL CG2 C 22.506 0.300 2 632 70 70 VAL N N 127.071 0.300 1 633 71 71 THR H H 9.084 0.030 1 634 71 71 THR HA H 5.671 0.030 1 635 71 71 THR HB H 3.822 0.030 1 636 71 71 THR HG2 H 1.004 0.030 1 637 71 71 THR C C 173.898 0.300 1 638 71 71 THR CA C 59.578 0.300 1 639 71 71 THR CB C 72.303 0.300 1 640 71 71 THR CG2 C 22.203 0.300 1 641 71 71 THR N N 119.317 0.300 1 642 72 72 TYR H H 8.430 0.030 1 643 72 72 TYR HA H 5.806 0.030 1 644 72 72 TYR HB2 H 2.580 0.030 2 645 72 72 TYR HB3 H 2.431 0.030 2 646 72 72 TYR HD1 H 6.339 0.030 1 647 72 72 TYR HD2 H 6.339 0.030 1 648 72 72 TYR HE1 H 6.039 0.030 1 649 72 72 TYR HE2 H 6.039 0.030 1 650 72 72 TYR C C 173.503 0.300 1 651 72 72 TYR CA C 54.950 0.300 1 652 72 72 TYR CB C 41.968 0.300 1 653 72 72 TYR CD1 C 132.375 0.300 1 654 72 72 TYR CD2 C 132.375 0.300 1 655 72 72 TYR CE1 C 116.436 0.300 1 656 72 72 TYR CE2 C 116.436 0.300 1 657 72 72 TYR N N 118.428 0.300 1 658 73 73 VAL H H 8.354 0.030 1 659 73 73 VAL HA H 4.621 0.030 1 660 73 73 VAL HB H 1.962 0.030 1 661 73 73 VAL HG1 H 0.543 0.030 1 662 73 73 VAL HG2 H 0.656 0.030 1 663 73 73 VAL C C 173.533 0.300 1 664 73 73 VAL CA C 58.567 0.300 1 665 73 73 VAL CB C 33.563 0.300 1 666 73 73 VAL CG1 C 20.516 0.300 2 667 73 73 VAL CG2 C 20.190 0.300 2 668 73 73 VAL N N 121.711 0.300 1 669 74 74 PRO HA H 4.598 0.030 1 670 74 74 PRO HB2 H 1.723 0.030 2 671 74 74 PRO HB3 H 1.272 0.030 2 672 74 74 PRO HD2 H 3.454 0.030 2 673 74 74 PRO HD3 H 4.118 0.030 2 674 74 74 PRO HG2 H 2.027 0.030 2 675 74 74 PRO HG3 H 1.445 0.030 2 676 74 74 PRO C C 176.992 0.300 1 677 74 74 PRO CA C 61.551 0.300 1 678 74 74 PRO CB C 32.729 0.300 1 679 74 74 PRO CD C 50.692 0.300 1 680 74 74 PRO CG C 27.536 0.300 1 681 75 75 LEU H H 9.288 0.030 1 682 75 75 LEU HA H 4.517 0.030 1 683 75 75 LEU HB2 H 1.721 0.030 1 684 75 75 LEU HB3 H 1.721 0.030 1 685 75 75 LEU HD1 H 0.969 0.030 1 686 75 75 LEU HD2 H 0.791 0.030 1 687 75 75 LEU HG H 1.760 0.030 1 688 75 75 LEU C C 177.045 0.300 1 689 75 75 LEU CA C 54.865 0.300 1 690 75 75 LEU CB C 43.032 0.300 1 691 75 75 LEU CD1 C 25.295 0.300 2 692 75 75 LEU CD2 C 22.529 0.300 2 693 75 75 LEU CG C 27.102 0.300 1 694 75 75 LEU N N 121.837 0.300 1 695 76 76 THR H H 7.307 0.030 1 696 76 76 THR HA H 4.554 0.030 1 697 76 76 THR HB H 4.202 0.030 1 698 76 76 THR HG2 H 1.156 0.030 1 699 76 76 THR C C 172.573 0.300 1 700 76 76 THR CA C 59.380 0.300 1 701 76 76 THR CB C 71.587 0.300 1 702 76 76 THR CG2 C 21.791 0.300 1 703 76 76 THR N N 109.385 0.300 1 704 77 77 ALA H H 8.626 0.030 1 705 77 77 ALA HA H 4.096 0.030 1 706 77 77 ALA HB H 1.302 0.030 1 707 77 77 ALA C C 176.961 0.300 1 708 77 77 ALA CA C 51.588 0.300 1 709 77 77 ALA CB C 19.627 0.300 1 710 77 77 ALA N N 125.242 0.300 1 711 78 78 GLY H H 8.776 0.030 1 712 78 78 GLY HA2 H 4.576 0.030 2 713 78 78 GLY HA3 H 3.815 0.030 2 714 78 78 GLY C C 172.842 0.300 1 715 78 78 GLY CA C 43.973 0.300 1 716 78 78 GLY N N 108.697 0.300 1 717 79 79 MET H H 8.631 0.030 1 718 79 79 MET HA H 5.246 0.030 1 719 79 79 MET HB2 H 2.035 0.030 2 720 79 79 MET HB3 H 1.655 0.030 2 721 79 79 MET HE H 1.846 0.030 1 722 79 79 MET HG2 H 2.509 0.030 2 723 79 79 MET HG3 H 2.651 0.030 2 724 79 79 MET C C 176.536 0.300 1 725 79 79 MET CA C 53.433 0.300 1 726 79 79 MET CB C 30.297 0.300 1 727 79 79 MET CE C 14.296 0.300 1 728 79 79 MET CG C 30.822 0.300 1 729 79 79 MET N N 118.743 0.300 1 730 80 80 TYR H H 9.401 0.030 1 731 80 80 TYR HA H 4.776 0.030 1 732 80 80 TYR HB2 H 2.872 0.030 2 733 80 80 TYR HB3 H 2.036 0.030 2 734 80 80 TYR HD1 H 6.753 0.030 1 735 80 80 TYR HD2 H 6.753 0.030 1 736 80 80 TYR HE1 H 6.673 0.030 1 737 80 80 TYR HE2 H 6.673 0.030 1 738 80 80 TYR C C 175.370 0.300 1 739 80 80 TYR CA C 56.846 0.300 1 740 80 80 TYR CB C 41.692 0.300 1 741 80 80 TYR CD1 C 132.156 0.300 1 742 80 80 TYR CD2 C 132.156 0.300 1 743 80 80 TYR CE1 C 117.784 0.300 1 744 80 80 TYR CE2 C 117.784 0.300 1 745 80 80 TYR N N 122.210 0.300 1 746 81 81 THR H H 8.618 0.030 1 747 81 81 THR HA H 4.869 0.030 1 748 81 81 THR HB H 3.828 0.030 1 749 81 81 THR HG2 H 1.033 0.030 1 750 81 81 THR C C 174.682 0.300 1 751 81 81 THR CA C 61.993 0.300 1 752 81 81 THR CB C 69.163 0.300 1 753 81 81 THR CG2 C 21.965 0.300 1 754 81 81 THR N N 115.882 0.300 1 755 82 82 LEU H H 9.877 0.030 1 756 82 82 LEU HA H 5.221 0.030 1 757 82 82 LEU HB2 H 1.898 0.030 2 758 82 82 LEU HB3 H 1.334 0.030 2 759 82 82 LEU HD1 H 0.572 0.030 1 760 82 82 LEU HD2 H 0.228 0.030 1 761 82 82 LEU HG H 1.347 0.030 1 762 82 82 LEU C C 176.180 0.300 1 763 82 82 LEU CA C 53.448 0.300 1 764 82 82 LEU CB C 43.917 0.300 1 765 82 82 LEU CD1 C 24.407 0.300 2 766 82 82 LEU CD2 C 23.608 0.300 2 767 82 82 LEU CG C 28.759 0.300 1 768 82 82 LEU N N 130.683 0.300 1 769 83 83 THR H H 9.263 0.030 1 770 83 83 THR HA H 4.133 0.030 1 771 83 83 THR HB H 3.911 0.030 1 772 83 83 THR HG2 H 0.976 0.030 1 773 83 83 THR C C 172.105 0.300 1 774 83 83 THR CA C 63.916 0.300 1 775 83 83 THR CB C 69.082 0.300 1 776 83 83 THR CG2 C 22.188 0.300 1 777 83 83 THR N N 119.498 0.300 1 778 84 84 MET H H 5.865 0.030 1 779 84 84 MET HA H 4.897 0.030 1 780 84 84 MET HB2 H 0.459 0.030 2 781 84 84 MET HB3 H 0.267 0.030 2 782 84 84 MET HE H 1.501 0.030 1 783 84 84 MET HG2 H 1.717 0.030 2 784 84 84 MET HG3 H 2.119 0.030 2 785 84 84 MET C C 172.532 0.300 1 786 84 84 MET CA C 53.362 0.300 1 787 84 84 MET CB C 33.154 0.300 1 788 84 84 MET CE C 18.126 0.300 1 789 84 84 MET CG C 31.492 0.300 1 790 84 84 MET N N 130.379 0.300 1 791 85 85 LYS H H 8.441 0.030 1 792 85 85 LYS HA H 5.090 0.030 1 793 85 85 LYS HB2 H 1.355 0.030 2 794 85 85 LYS HB3 H 1.134 0.030 2 795 85 85 LYS HD2 H 1.185 0.030 2 796 85 85 LYS HD3 H 1.318 0.030 2 797 85 85 LYS HE2 H 2.593 0.030 1 798 85 85 LYS HE3 H 2.593 0.030 1 799 85 85 LYS HG2 H 0.723 0.030 2 800 85 85 LYS HG3 H 1.077 0.030 2 801 85 85 LYS C C 174.192 0.300 1 802 85 85 LYS CA C 54.274 0.300 1 803 85 85 LYS CB C 38.457 0.300 1 804 85 85 LYS CD C 29.661 0.300 1 805 85 85 LYS CE C 42.125 0.300 1 806 85 85 LYS CG C 26.290 0.300 1 807 85 85 LYS N N 124.463 0.300 1 808 86 86 TYR H H 9.367 0.030 1 809 86 86 TYR HA H 5.236 0.030 1 810 86 86 TYR HB2 H 2.621 0.030 2 811 86 86 TYR HB3 H 2.451 0.030 2 812 86 86 TYR HD1 H 6.567 0.030 1 813 86 86 TYR HD2 H 6.567 0.030 1 814 86 86 TYR HE1 H 6.563 0.030 1 815 86 86 TYR HE2 H 6.563 0.030 1 816 86 86 TYR C C 176.835 0.300 1 817 86 86 TYR CA C 56.634 0.300 1 818 86 86 TYR CB C 42.661 0.300 1 819 86 86 TYR CD1 C 131.652 0.300 1 820 86 86 TYR CD2 C 131.652 0.300 1 821 86 86 TYR CE1 C 118.839 0.300 1 822 86 86 TYR CE2 C 118.839 0.300 1 823 86 86 TYR N N 121.176 0.300 1 824 87 87 GLY H H 8.761 0.030 1 825 87 87 GLY HA2 H 3.836 0.030 2 826 87 87 GLY HA3 H 3.653 0.030 2 827 87 87 GLY C C 175.243 0.300 1 828 87 87 GLY CA C 46.577 0.300 1 829 87 87 GLY N N 114.842 0.300 1 830 88 88 GLY H H 8.728 0.030 1 831 88 88 GLY HA2 H 4.189 0.030 2 832 88 88 GLY HA3 H 3.395 0.030 2 833 88 88 GLY C C 173.167 0.300 1 834 88 88 GLY CA C 44.782 0.300 1 835 88 88 GLY N N 103.487 0.300 1 836 89 89 GLU H H 7.545 0.030 1 837 89 89 GLU HA H 4.662 0.030 1 838 89 89 GLU HB2 H 2.178 0.030 2 839 89 89 GLU HB3 H 2.006 0.030 2 840 89 89 GLU HG2 H 2.326 0.030 2 841 89 89 GLU HG3 H 2.550 0.030 2 842 89 89 GLU C C 175.379 0.300 1 843 89 89 GLU CA C 53.925 0.300 1 844 89 89 GLU CB C 32.151 0.300 1 845 89 89 GLU CG C 35.260 0.300 1 846 89 89 GLU N N 119.559 0.300 1 847 90 90 LEU H H 8.718 0.030 1 848 90 90 LEU HA H 4.165 0.030 1 849 90 90 LEU HB2 H 1.584 0.030 2 850 90 90 LEU HB3 H 1.529 0.030 2 851 90 90 LEU HD1 H 0.932 0.030 1 852 90 90 LEU HD2 H 0.828 0.030 1 853 90 90 LEU HG H 1.660 0.030 1 854 90 90 LEU C C 176.593 0.300 1 855 90 90 LEU CA C 56.229 0.300 1 856 90 90 LEU CB C 42.867 0.300 1 857 90 90 LEU CD1 C 25.003 0.300 2 858 90 90 LEU CD2 C 24.636 0.300 2 859 90 90 LEU CG C 27.230 0.300 1 860 90 90 LEU N N 122.396 0.300 1 861 91 91 VAL H H 7.331 0.030 1 862 91 91 VAL HA H 4.282 0.030 1 863 91 91 VAL HB H 1.769 0.030 1 864 91 91 VAL HG1 H 0.663 0.030 1 865 91 91 VAL HG2 H 1.061 0.030 1 866 91 91 VAL C C 173.387 0.300 1 867 91 91 VAL CA C 59.381 0.300 1 868 91 91 VAL CB C 32.729 0.300 1 869 91 91 VAL CG1 C 22.429 0.300 2 870 91 91 VAL CG2 C 21.040 0.300 2 871 91 91 VAL N N 123.008 0.300 1 872 92 92 PRO HA H 4.246 0.030 1 873 92 92 PRO HB2 H 2.048 0.030 2 874 92 92 PRO HB3 H 1.654 0.030 2 875 92 92 PRO HD2 H 3.624 0.030 2 876 92 92 PRO HD3 H 3.997 0.030 2 877 92 92 PRO HG2 H 1.899 0.030 2 878 92 92 PRO HG3 H 2.194 0.030 2 879 92 92 PRO C C 176.742 0.300 1 880 92 92 PRO CA C 64.591 0.300 1 881 92 92 PRO CB C 31.696 0.300 1 882 92 92 PRO CD C 51.643 0.300 1 883 92 92 PRO CG C 28.192 0.300 1 884 93 93 HIS H H 8.457 0.030 1 885 93 93 HIS HA H 4.014 0.030 1 886 93 93 HIS HB2 H 3.595 0.030 2 887 93 93 HIS HB3 H 3.026 0.030 2 888 93 93 HIS HD2 H 7.078 0.030 1 889 93 93 HIS HE1 H 8.149 0.030 1 890 93 93 HIS C C 173.420 0.300 1 891 93 93 HIS CA C 57.943 0.300 1 892 93 93 HIS CB C 26.704 0.300 1 893 93 93 HIS CD2 C 119.900 0.300 1 894 93 93 HIS CE1 C 137.321 0.300 1 895 93 93 HIS N N 111.320 0.300 1 896 94 94 PHE H H 8.018 0.030 1 897 94 94 PHE HA H 4.516 0.030 1 898 94 94 PHE HB2 H 3.391 0.030 2 899 94 94 PHE HB3 H 2.768 0.030 2 900 94 94 PHE HD1 H 7.394 0.030 1 901 94 94 PHE HD2 H 7.394 0.030 1 902 94 94 PHE HE1 H 6.989 0.030 1 903 94 94 PHE HE2 H 6.989 0.030 1 904 94 94 PHE HZ H 6.793 0.030 1 905 94 94 PHE C C 173.047 0.300 1 906 94 94 PHE CA C 56.150 0.300 1 907 94 94 PHE CB C 39.806 0.300 1 908 94 94 PHE CD1 C 133.134 0.300 1 909 94 94 PHE CD2 C 133.134 0.300 1 910 94 94 PHE CE1 C 130.594 0.300 1 911 94 94 PHE CE2 C 130.594 0.300 1 912 94 94 PHE CZ C 129.400 0.300 1 913 94 94 PHE N N 116.027 0.300 1 914 95 95 PRO HA H 5.241 0.030 1 915 95 95 PRO HB2 H 2.373 0.030 2 916 95 95 PRO HB3 H 1.846 0.030 2 917 95 95 PRO HD2 H 3.576 0.030 2 918 95 95 PRO HD3 H 3.721 0.030 2 919 95 95 PRO HG2 H 1.922 0.030 2 920 95 95 PRO HG3 H 1.773 0.030 2 921 95 95 PRO C C 175.153 0.300 1 922 95 95 PRO CA C 62.136 0.300 1 923 95 95 PRO CB C 34.882 0.300 1 924 95 95 PRO CD C 51.148 0.300 1 925 95 95 PRO CG C 25.805 0.300 1 926 96 96 ALA H H 9.191 0.030 1 927 96 96 ALA HA H 4.821 0.030 1 928 96 96 ALA HB H 1.171 0.030 1 929 96 96 ALA C C 175.916 0.300 1 930 96 96 ALA CA C 50.444 0.300 1 931 96 96 ALA CB C 22.446 0.300 1 932 96 96 ALA N N 127.396 0.300 1 933 97 97 ARG H H 8.656 0.030 1 934 97 97 ARG HA H 5.387 0.030 1 935 97 97 ARG HB2 H 1.642 0.030 2 936 97 97 ARG HB3 H 1.527 0.030 2 937 97 97 ARG HD2 H 3.103 0.030 2 938 97 97 ARG HD3 H 3.053 0.030 2 939 97 97 ARG HG2 H 1.590 0.030 2 940 97 97 ARG HG3 H 1.645 0.030 2 941 97 97 ARG C C 176.100 0.300 1 942 97 97 ARG CA C 53.734 0.300 1 943 97 97 ARG CB C 31.368 0.300 1 944 97 97 ARG CD C 42.370 0.300 1 945 97 97 ARG CG C 26.011 0.300 1 946 97 97 ARG N N 121.386 0.300 1 947 98 98 VAL H H 8.877 0.030 1 948 98 98 VAL HA H 4.164 0.030 1 949 98 98 VAL HB H 1.565 0.030 1 950 98 98 VAL HG1 H 0.570 0.030 1 951 98 98 VAL HG2 H 0.679 0.030 1 952 98 98 VAL C C 172.853 0.300 1 953 98 98 VAL CA C 60.932 0.300 1 954 98 98 VAL CB C 36.454 0.300 1 955 98 98 VAL CG1 C 19.778 0.300 2 956 98 98 VAL CG2 C 20.612 0.300 2 957 98 98 VAL N N 123.181 0.300 1 958 99 99 LYS H H 8.822 0.030 1 959 99 99 LYS HA H 4.690 0.030 1 960 99 99 LYS HB2 H 1.962 0.030 2 961 99 99 LYS HB3 H 1.572 0.030 2 962 99 99 LYS HD2 H 1.672 0.030 1 963 99 99 LYS HD3 H 1.672 0.030 1 964 99 99 LYS HE2 H 2.984 0.030 2 965 99 99 LYS HE3 H 2.945 0.030 2 966 99 99 LYS HG2 H 1.117 0.030 2 967 99 99 LYS HG3 H 1.232 0.030 2 968 99 99 LYS C C 175.241 0.300 1 969 99 99 LYS CA C 56.511 0.300 1 970 99 99 LYS CB C 33.594 0.300 1 971 99 99 LYS CD C 29.506 0.300 1 972 99 99 LYS CE C 42.125 0.300 1 973 99 99 LYS CG C 25.310 0.300 1 974 99 99 LYS N N 129.163 0.300 1 975 100 100 VAL H H 8.997 0.030 1 976 100 100 VAL HA H 3.958 0.030 1 977 100 100 VAL HB H 2.431 0.030 1 978 100 100 VAL HG1 H 0.650 0.030 1 979 100 100 VAL HG2 H 0.461 0.030 1 980 100 100 VAL C C 176.834 0.300 1 981 100 100 VAL CA C 61.693 0.300 1 982 100 100 VAL CB C 31.476 0.300 1 983 100 100 VAL CG1 C 21.742 0.300 2 984 100 100 VAL CG2 C 22.131 0.300 2 985 100 100 VAL N N 129.384 0.300 1 986 101 101 GLU H H 8.435 0.030 1 987 101 101 GLU HA H 4.642 0.030 1 988 101 101 GLU HB2 H 1.840 0.030 2 989 101 101 GLU HB3 H 2.301 0.030 2 990 101 101 GLU HG2 H 2.439 0.030 2 991 101 101 GLU HG3 H 2.482 0.030 2 992 101 101 GLU C C 173.338 0.300 1 993 101 101 GLU CA C 54.414 0.300 1 994 101 101 GLU CB C 29.984 0.300 1 995 101 101 GLU CG C 35.793 0.300 1 996 101 101 GLU N N 130.188 0.300 1 997 102 102 PRO HA H 4.356 0.030 1 998 102 102 PRO HB2 H 2.243 0.030 2 999 102 102 PRO HB3 H 1.948 0.030 2 1000 102 102 PRO HD2 H 3.843 0.030 2 1001 102 102 PRO HD3 H 3.695 0.030 2 1002 102 102 PRO HG2 H 1.979 0.030 2 1003 102 102 PRO HG3 H 1.941 0.030 2 1004 102 102 PRO C C 175.362 0.300 1 1005 102 102 PRO CA C 62.514 0.300 1 1006 102 102 PRO CB C 32.481 0.300 1 1007 102 102 PRO CD C 50.391 0.300 1 1008 102 102 PRO CG C 27.288 0.300 1 1009 103 103 ALA H H 8.408 0.030 1 1010 103 103 ALA HA H 4.183 0.030 1 1011 103 103 ALA HB H 1.306 0.030 1 1012 103 103 ALA C C 177.668 0.300 1 1013 103 103 ALA CA C 52.472 0.300 1 1014 103 103 ALA CB C 19.151 0.300 1 1015 103 103 ALA N N 122.238 0.300 1 1016 104 104 VAL H H 8.003 0.030 1 1017 104 104 VAL HA H 4.050 0.030 1 1018 104 104 VAL HB H 1.962 0.030 1 1019 104 104 VAL HG1 H 0.866 0.030 1 1020 104 104 VAL HG2 H 0.866 0.030 1 1021 104 104 VAL C C 175.438 0.300 1 1022 104 104 VAL CA C 61.833 0.300 1 1023 104 104 VAL CB C 33.293 0.300 1 1024 104 104 VAL CG1 C 20.658 0.300 1 1025 104 104 VAL CG2 C 20.658 0.300 1 1026 104 104 VAL N N 118.318 0.300 1 1027 105 105 ASP H H 8.502 0.030 1 1028 105 105 ASP HA H 4.660 0.030 1 1029 105 105 ASP HB2 H 2.596 0.030 2 1030 105 105 ASP HB3 H 2.725 0.030 2 1031 105 105 ASP C C 176.744 0.300 1 1032 105 105 ASP CA C 54.017 0.300 1 1033 105 105 ASP CB C 41.205 0.300 1 1034 105 105 ASP N N 124.827 0.300 1 1035 106 106 THR H H 8.305 0.030 1 1036 106 106 THR HA H 4.344 0.030 1 1037 106 106 THR HB H 4.338 0.030 1 1038 106 106 THR HG2 H 1.157 0.030 1 1039 106 106 THR C C 175.110 0.300 1 1040 106 106 THR CA C 61.724 0.300 1 1041 106 106 THR CB C 69.312 0.300 1 1042 106 106 THR CG2 C 21.529 0.300 1 1043 106 106 THR N N 115.684 0.300 1 1044 107 107 SER H H 8.462 0.030 1 1045 107 107 SER C C 174.771 0.300 1 1046 107 107 SER CA C 59.251 0.300 1 1047 107 107 SER CB C 63.887 0.300 1 1048 107 107 SER N N 118.605 0.300 1 1049 112 112 SER HA H 4.467 0.030 1 1050 112 112 SER HB2 H 3.874 0.030 2 1051 112 112 SER C C 173.951 0.300 1 1052 112 112 SER CA C 58.403 0.300 1 1053 112 112 SER CB C 64.134 0.300 1 1054 113 113 GLY H H 8.036 0.030 1 1055 113 113 GLY HA2 H 3.752 0.030 2 1056 113 113 GLY HA3 H 3.706 0.030 2 1057 113 113 GLY C C 179.021 0.300 1 1058 113 113 GLY CA C 46.140 0.300 1 1059 113 113 GLY N N 116.884 0.300 1 stop_ save_