data_10292 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the third homeobox domain of Zinc fingers and homeoboxes protein 2 ; _BMRB_accession_number 10292 _BMRB_flat_file_name bmr10292.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 Sasagawa A. . . 3 Saito K. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kigawa T. . . 7 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" 442 "13C chemical shifts" 354 "15N chemical shifts" 78 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-12-17 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the third homeobox domain of Zinc fingers and homeoboxes protein 2 ; _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 Sasagawa A. . . 3 Saito K. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kigawa T. . . 7 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 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label '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 'homeobox domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; GSSGSSGAYPDFAPQKFKEK TQGQVKILEDSFLKSSFPTQ AELDRLRVETKLSRREIDSW FSERRKLRDSMEQAVLDSMG SGKSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ALA 9 TYR 10 PRO 11 ASP 12 PHE 13 ALA 14 PRO 15 GLN 16 LYS 17 PHE 18 LYS 19 GLU 20 LYS 21 THR 22 GLN 23 GLY 24 GLN 25 VAL 26 LYS 27 ILE 28 LEU 29 GLU 30 ASP 31 SER 32 PHE 33 LEU 34 LYS 35 SER 36 SER 37 PHE 38 PRO 39 THR 40 GLN 41 ALA 42 GLU 43 LEU 44 ASP 45 ARG 46 LEU 47 ARG 48 VAL 49 GLU 50 THR 51 LYS 52 LEU 53 SER 54 ARG 55 ARG 56 GLU 57 ILE 58 ASP 59 SER 60 TRP 61 PHE 62 SER 63 GLU 64 ARG 65 ARG 66 LYS 67 LEU 68 ARG 69 ASP 70 SER 71 MET 72 GLU 73 GLN 74 ALA 75 VAL 76 LEU 77 ASP 78 SER 79 MET 80 GLY 81 SER 82 GLY 83 LYS 84 SER 85 GLY 86 PRO 87 SER 88 SER 89 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 2DMP "Solution Structure Of The Third Homeobox Domain Of Zinc Fingers And Homeoboxes Protein 2" 100.00 89 100.00 100.00 1.09e-54 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 P050404-24 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 0.965 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 '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 3.940 0.030 1 2 7 7 GLY HA3 H 3.940 0.030 1 3 7 7 GLY C C 173.532 0.300 1 4 7 7 GLY CA C 45.255 0.300 1 5 8 8 ALA H H 8.010 0.030 1 6 8 8 ALA HA H 4.259 0.030 1 7 8 8 ALA HB H 1.247 0.030 1 8 8 8 ALA C C 176.987 0.300 1 9 8 8 ALA CA C 52.334 0.300 1 10 8 8 ALA CB C 19.389 0.300 1 11 8 8 ALA N N 123.317 0.300 1 12 9 9 TYR H H 8.110 0.030 1 13 9 9 TYR HA H 4.832 0.030 1 14 9 9 TYR HB2 H 2.866 0.030 2 15 9 9 TYR HB3 H 3.098 0.030 2 16 9 9 TYR HD1 H 7.175 0.030 1 17 9 9 TYR HD2 H 7.175 0.030 1 18 9 9 TYR HE1 H 6.851 0.030 1 19 9 9 TYR HE2 H 6.851 0.030 1 20 9 9 TYR C C 174.112 0.300 1 21 9 9 TYR CA C 55.642 0.300 1 22 9 9 TYR CB C 38.292 0.300 1 23 9 9 TYR CD1 C 133.560 0.300 1 24 9 9 TYR CD2 C 133.560 0.300 1 25 9 9 TYR CE1 C 118.258 0.300 1 26 9 9 TYR CE2 C 118.258 0.300 1 27 9 9 TYR N N 120.065 0.300 1 28 10 10 PRO HA H 4.377 0.030 1 29 10 10 PRO HB2 H 2.187 0.030 2 30 10 10 PRO HB3 H 1.746 0.030 2 31 10 10 PRO HD2 H 3.537 0.030 2 32 10 10 PRO HD3 H 3.740 0.030 2 33 10 10 PRO HG2 H 1.955 0.030 2 34 10 10 PRO C C 176.388 0.300 1 35 10 10 PRO CA C 63.332 0.300 1 36 10 10 PRO CB C 31.985 0.300 1 37 10 10 PRO CD C 50.596 0.300 1 38 10 10 PRO CG C 27.343 0.300 1 39 11 11 ASP H H 8.249 0.030 1 40 11 11 ASP HA H 4.537 0.030 1 41 11 11 ASP HB2 H 2.557 0.030 2 42 11 11 ASP HB3 H 2.634 0.030 2 43 11 11 ASP C C 175.893 0.300 1 44 11 11 ASP CA C 54.410 0.300 1 45 11 11 ASP CB C 41.149 0.300 1 46 11 11 ASP N N 119.884 0.300 1 47 12 12 PHE H H 8.028 0.030 1 48 12 12 PHE HA H 4.616 0.030 1 49 12 12 PHE HB2 H 3.145 0.030 2 50 12 12 PHE HB3 H 3.055 0.030 2 51 12 12 PHE HD1 H 7.259 0.030 1 52 12 12 PHE HD2 H 7.259 0.030 1 53 12 12 PHE C C 175.001 0.300 1 54 12 12 PHE CA C 57.417 0.300 1 55 12 12 PHE CB C 39.577 0.300 1 56 12 12 PHE CD1 C 131.911 0.300 1 57 12 12 PHE CD2 C 131.911 0.300 1 58 12 12 PHE N N 119.972 0.300 1 59 13 13 ALA H H 8.118 0.030 1 60 13 13 ALA HA H 4.570 0.030 1 61 13 13 ALA HB H 1.312 0.030 1 62 13 13 ALA C C 175.002 0.300 1 63 13 13 ALA CA C 50.500 0.300 1 64 13 13 ALA CB C 18.532 0.300 1 65 13 13 ALA N N 126.968 0.300 1 66 14 14 PRO HA H 4.349 0.030 1 67 14 14 PRO HB2 H 1.879 0.030 2 68 14 14 PRO HB3 H 2.287 0.030 2 69 14 14 PRO HD2 H 3.599 0.030 2 70 14 14 PRO HD3 H 3.643 0.030 2 71 14 14 PRO HG2 H 2.000 0.030 2 72 14 14 PRO C C 177.054 0.300 1 73 14 14 PRO CA C 63.380 0.300 1 74 14 14 PRO CB C 31.960 0.300 1 75 14 14 PRO CD C 50.471 0.300 1 76 14 14 PRO CG C 27.374 0.300 1 77 15 15 GLN H H 8.411 0.030 1 78 15 15 GLN HA H 4.221 0.030 1 79 15 15 GLN HB2 H 1.923 0.030 1 80 15 15 GLN HB3 H 1.923 0.030 1 81 15 15 GLN HE21 H 7.544 0.030 2 82 15 15 GLN HE22 H 6.881 0.030 2 83 15 15 GLN HG2 H 2.310 0.030 2 84 15 15 GLN C C 175.815 0.300 1 85 15 15 GLN CA C 55.929 0.300 1 86 15 15 GLN CB C 29.270 0.300 1 87 15 15 GLN CG C 33.846 0.300 1 88 15 15 GLN N N 120.172 0.300 1 89 15 15 GLN NE2 N 112.725 0.300 1 90 16 16 LYS H H 8.171 0.030 1 91 16 16 LYS HA H 4.234 0.030 1 92 16 16 LYS HB2 H 1.660 0.030 2 93 16 16 LYS HB3 H 1.694 0.030 2 94 16 16 LYS HD2 H 1.443 0.030 2 95 16 16 LYS HE2 H 2.956 0.030 2 96 16 16 LYS HG2 H 1.340 0.030 2 97 16 16 LYS HG3 H 1.287 0.030 2 98 16 16 LYS C C 176.196 0.300 1 99 16 16 LYS CA C 56.236 0.300 1 100 16 16 LYS CB C 33.171 0.300 1 101 16 16 LYS CD C 29.223 0.300 1 102 16 16 LYS CE C 42.132 0.300 1 103 16 16 LYS CG C 24.676 0.300 1 104 16 16 LYS N N 122.238 0.300 1 105 17 17 PHE H H 8.257 0.030 1 106 17 17 PHE HA H 4.715 0.030 1 107 17 17 PHE HB2 H 2.995 0.030 2 108 17 17 PHE HB3 H 3.268 0.030 2 109 17 17 PHE HD1 H 7.301 0.030 1 110 17 17 PHE HD2 H 7.301 0.030 1 111 17 17 PHE HE1 H 7.356 0.030 1 112 17 17 PHE HE2 H 7.356 0.030 1 113 17 17 PHE C C 175.737 0.300 1 114 17 17 PHE CA C 57.341 0.300 1 115 17 17 PHE CB C 39.776 0.300 1 116 17 17 PHE CD1 C 131.945 0.300 1 117 17 17 PHE CD2 C 131.945 0.300 1 118 17 17 PHE CE1 C 131.681 0.300 1 119 17 17 PHE CE2 C 131.681 0.300 1 120 17 17 PHE N N 121.572 0.300 1 121 18 18 LYS H H 8.411 0.030 1 122 18 18 LYS HA H 4.285 0.030 1 123 18 18 LYS HB2 H 1.795 0.030 2 124 18 18 LYS HB3 H 1.844 0.030 2 125 18 18 LYS HD2 H 1.735 0.030 2 126 18 18 LYS HE2 H 3.032 0.030 2 127 18 18 LYS HG2 H 1.458 0.030 2 128 18 18 LYS C C 176.317 0.300 1 129 18 18 LYS CA C 56.146 0.300 1 130 18 18 LYS CB C 33.269 0.300 1 131 18 18 LYS CD C 29.179 0.300 1 132 18 18 LYS CE C 42.211 0.300 1 133 18 18 LYS CG C 24.696 0.300 1 134 18 18 LYS N N 123.072 0.300 1 135 19 19 GLU H H 8.494 0.030 1 136 19 19 GLU HA H 4.243 0.030 1 137 19 19 GLU HB2 H 1.972 0.030 2 138 19 19 GLU HB3 H 2.070 0.030 2 139 19 19 GLU HG2 H 2.354 0.030 2 140 19 19 GLU C C 176.811 0.300 1 141 19 19 GLU CA C 56.916 0.300 1 142 19 19 GLU CB C 30.158 0.300 1 143 19 19 GLU CG C 36.306 0.300 1 144 19 19 GLU N N 123.032 0.300 1 145 20 20 LYS H H 8.530 0.030 1 146 20 20 LYS HA H 4.560 0.030 1 147 20 20 LYS HB2 H 1.855 0.030 2 148 20 20 LYS HB3 H 1.654 0.030 2 149 20 20 LYS HD2 H 1.592 0.030 2 150 20 20 LYS HD3 H 1.437 0.030 2 151 20 20 LYS HE2 H 2.772 0.030 2 152 20 20 LYS HE3 H 2.951 0.030 2 153 20 20 LYS HG2 H 1.370 0.030 2 154 20 20 LYS HG3 H 1.648 0.030 2 155 20 20 LYS C C 177.491 0.300 1 156 20 20 LYS CA C 56.105 0.300 1 157 20 20 LYS CB C 34.248 0.300 1 158 20 20 LYS CD C 29.259 0.300 1 159 20 20 LYS CE C 41.426 0.300 1 160 20 20 LYS CG C 25.333 0.300 1 161 20 20 LYS N N 123.545 0.300 1 162 21 21 THR H H 8.868 0.030 1 163 21 21 THR HA H 4.448 0.030 1 164 21 21 THR HB H 4.645 0.030 1 165 21 21 THR HG2 H 1.292 0.030 1 166 21 21 THR C C 175.491 0.300 1 167 21 21 THR CA C 60.686 0.300 1 168 21 21 THR CB C 70.760 0.300 1 169 21 21 THR CG2 C 22.036 0.300 1 170 21 21 THR N N 113.437 0.300 1 171 22 22 GLN H H 8.993 0.030 1 172 22 22 GLN HA H 4.055 0.030 1 173 22 22 GLN HB2 H 2.101 0.030 1 174 22 22 GLN HB3 H 2.101 0.030 1 175 22 22 GLN HG2 H 2.516 0.030 2 176 22 22 GLN HG3 H 2.441 0.030 2 177 22 22 GLN C C 178.882 0.300 1 178 22 22 GLN CA C 58.899 0.300 1 179 22 22 GLN CB C 28.366 0.300 1 180 22 22 GLN CG C 34.077 0.300 1 181 22 22 GLN N N 120.458 0.300 1 182 23 23 GLY H H 8.580 0.030 1 183 23 23 GLY HA2 H 3.843 0.030 1 184 23 23 GLY HA3 H 3.843 0.030 1 185 23 23 GLY C C 176.518 0.300 1 186 23 23 GLY CA C 46.750 0.300 1 187 23 23 GLY N N 107.047 0.300 1 188 24 24 GLN H H 7.771 0.030 1 189 24 24 GLN HA H 3.844 0.030 1 190 24 24 GLN HB2 H 1.514 0.030 2 191 24 24 GLN HB3 H 2.509 0.030 2 192 24 24 GLN HE21 H 7.886 0.030 2 193 24 24 GLN HE22 H 6.728 0.030 2 194 24 24 GLN HG2 H 2.297 0.030 2 195 24 24 GLN HG3 H 2.634 0.030 2 196 24 24 GLN C C 177.564 0.300 1 197 24 24 GLN CA C 59.397 0.300 1 198 24 24 GLN CB C 29.250 0.300 1 199 24 24 GLN CG C 35.067 0.300 1 200 24 24 GLN N N 120.555 0.300 1 201 24 24 GLN NE2 N 111.603 0.300 1 202 25 25 VAL H H 8.029 0.030 1 203 25 25 VAL HA H 3.163 0.030 1 204 25 25 VAL HB H 2.030 0.030 1 205 25 25 VAL HG1 H 1.041 0.030 1 206 25 25 VAL HG2 H 0.992 0.030 1 207 25 25 VAL C C 176.630 0.300 1 208 25 25 VAL CA C 66.856 0.300 1 209 25 25 VAL CB C 31.543 0.300 1 210 25 25 VAL CG1 C 21.865 0.300 2 211 25 25 VAL CG2 C 23.606 0.300 2 212 25 25 VAL N N 117.187 0.300 1 213 26 26 LYS H H 7.924 0.030 1 214 26 26 LYS HA H 3.995 0.030 1 215 26 26 LYS HB2 H 1.892 0.030 1 216 26 26 LYS HB3 H 1.892 0.030 1 217 26 26 LYS HD2 H 1.635 0.030 2 218 26 26 LYS HE2 H 3.020 0.030 2 219 26 26 LYS HG2 H 1.480 0.030 2 220 26 26 LYS C C 178.199 0.300 1 221 26 26 LYS CA C 59.506 0.300 1 222 26 26 LYS CB C 32.209 0.300 1 223 26 26 LYS CD C 28.865 0.300 1 224 26 26 LYS CE C 42.368 0.300 1 225 26 26 LYS CG C 25.019 0.300 1 226 26 26 LYS N N 119.341 0.300 1 227 27 27 ILE H H 7.033 0.030 1 228 27 27 ILE HA H 3.706 0.030 1 229 27 27 ILE HB H 1.718 0.030 1 230 27 27 ILE HD1 H 0.786 0.030 1 231 27 27 ILE HG12 H 1.101 0.030 2 232 27 27 ILE HG13 H 1.730 0.030 2 233 27 27 ILE HG2 H 0.786 0.030 1 234 27 27 ILE C C 179.280 0.300 1 235 27 27 ILE CA C 64.803 0.300 1 236 27 27 ILE CB C 38.361 0.300 1 237 27 27 ILE CD1 C 13.908 0.300 1 238 27 27 ILE CG1 C 29.247 0.300 1 239 27 27 ILE CG2 C 17.814 0.300 1 240 27 27 ILE N N 117.901 0.300 1 241 28 28 LEU H H 7.400 0.030 1 242 28 28 LEU HA H 3.563 0.030 1 243 28 28 LEU HB2 H -0.812 0.030 2 244 28 28 LEU HB3 H 0.652 0.030 2 245 28 28 LEU HD1 H -0.366 0.030 1 246 28 28 LEU HD2 H 0.617 0.030 1 247 28 28 LEU HG H 1.329 0.030 1 248 28 28 LEU C C 177.369 0.300 1 249 28 28 LEU CA C 58.256 0.300 1 250 28 28 LEU CB C 37.957 0.300 1 251 28 28 LEU CD1 C 23.370 0.300 2 252 28 28 LEU CD2 C 23.354 0.300 2 253 28 28 LEU CG C 25.613 0.300 1 254 28 28 LEU N N 121.290 0.300 1 255 29 29 GLU H H 8.880 0.030 1 256 29 29 GLU HA H 4.327 0.030 1 257 29 29 GLU HB2 H 2.168 0.030 2 258 29 29 GLU HB3 H 2.010 0.030 2 259 29 29 GLU HG2 H 2.414 0.030 2 260 29 29 GLU C C 179.216 0.300 1 261 29 29 GLU CA C 59.430 0.300 1 262 29 29 GLU CB C 29.276 0.300 1 263 29 29 GLU CG C 34.951 0.300 1 264 29 29 GLU N N 120.487 0.300 1 265 30 30 ASP H H 8.313 0.030 1 266 30 30 ASP HA H 4.422 0.030 1 267 30 30 ASP HB2 H 2.576 0.030 2 268 30 30 ASP HB3 H 2.808 0.030 2 269 30 30 ASP C C 179.036 0.300 1 270 30 30 ASP CA C 57.388 0.300 1 271 30 30 ASP CB C 40.547 0.300 1 272 30 30 ASP N N 118.471 0.300 1 273 31 31 SER H H 7.406 0.030 1 274 31 31 SER HA H 4.290 0.030 1 275 31 31 SER HB2 H 4.047 0.030 2 276 31 31 SER HB3 H 4.402 0.030 2 277 31 31 SER C C 177.290 0.300 1 278 31 31 SER CA C 61.575 0.300 1 279 31 31 SER CB C 63.167 0.300 1 280 31 31 SER N N 113.187 0.300 1 281 32 32 PHE H H 9.117 0.030 1 282 32 32 PHE HA H 4.369 0.030 1 283 32 32 PHE HB2 H 3.208 0.030 2 284 32 32 PHE HB3 H 3.373 0.030 2 285 32 32 PHE HD1 H 7.171 0.030 1 286 32 32 PHE HD2 H 7.171 0.030 1 287 32 32 PHE HE1 H 7.205 0.030 1 288 32 32 PHE HE2 H 7.205 0.030 1 289 32 32 PHE HZ H 6.961 0.030 1 290 32 32 PHE C C 176.545 0.300 1 291 32 32 PHE CA C 61.569 0.300 1 292 32 32 PHE CB C 39.362 0.300 1 293 32 32 PHE CD1 C 132.169 0.300 1 294 32 32 PHE CD2 C 132.169 0.300 1 295 32 32 PHE CE1 C 130.901 0.300 1 296 32 32 PHE CE2 C 130.901 0.300 1 297 32 32 PHE CZ C 128.882 0.300 1 298 32 32 PHE N N 121.840 0.300 1 299 33 33 LEU H H 8.235 0.030 1 300 33 33 LEU HA H 3.965 0.030 1 301 33 33 LEU HB2 H 1.591 0.030 2 302 33 33 LEU HB3 H 1.914 0.030 2 303 33 33 LEU HD1 H 1.049 0.030 1 304 33 33 LEU HD2 H 0.996 0.030 1 305 33 33 LEU HG H 2.075 0.030 1 306 33 33 LEU C C 179.575 0.300 1 307 33 33 LEU CA C 56.998 0.300 1 308 33 33 LEU CB C 42.053 0.300 1 309 33 33 LEU CD1 C 25.411 0.300 2 310 33 33 LEU CD2 C 22.952 0.300 2 311 33 33 LEU CG C 26.903 0.300 1 312 33 33 LEU N N 115.363 0.300 1 313 34 34 LYS H H 7.509 0.030 1 314 34 34 LYS HA H 4.174 0.030 1 315 34 34 LYS HB2 H 2.154 0.030 2 316 34 34 LYS HB3 H 2.013 0.030 2 317 34 34 LYS HD2 H 1.733 0.030 2 318 34 34 LYS HE2 H 3.032 0.030 2 319 34 34 LYS HG2 H 1.459 0.030 2 320 34 34 LYS HG3 H 1.681 0.030 2 321 34 34 LYS C C 178.190 0.300 1 322 34 34 LYS CA C 58.819 0.300 1 323 34 34 LYS CB C 32.352 0.300 1 324 34 34 LYS CD C 29.121 0.300 1 325 34 34 LYS CE C 42.289 0.300 1 326 34 34 LYS CG C 25.202 0.300 1 327 34 34 LYS N N 119.688 0.300 1 328 35 35 SER H H 8.130 0.030 1 329 35 35 SER HA H 4.379 0.030 1 330 35 35 SER HB2 H 4.005 0.030 2 331 35 35 SER HB3 H 3.476 0.030 2 332 35 35 SER C C 174.000 0.300 1 333 35 35 SER CA C 58.202 0.300 1 334 35 35 SER CB C 64.375 0.300 1 335 35 35 SER N N 112.275 0.300 1 336 36 36 SER H H 8.404 0.030 1 337 36 36 SER HA H 3.952 0.030 1 338 36 36 SER HB2 H 3.185 0.030 2 339 36 36 SER HB3 H 3.576 0.030 2 340 36 36 SER C C 172.467 0.300 1 341 36 36 SER CA C 59.127 0.300 1 342 36 36 SER CB C 63.788 0.300 1 343 36 36 SER N N 121.307 0.300 1 344 37 37 PHE H H 7.735 0.030 1 345 37 37 PHE HA H 4.859 0.030 1 346 37 37 PHE HB2 H 3.007 0.030 2 347 37 37 PHE HB3 H 2.695 0.030 2 348 37 37 PHE HD1 H 7.250 0.030 1 349 37 37 PHE HD2 H 7.250 0.030 1 350 37 37 PHE HE1 H 7.321 0.030 1 351 37 37 PHE HE2 H 7.321 0.030 1 352 37 37 PHE HZ H 7.282 0.030 1 353 37 37 PHE C C 172.549 0.300 1 354 37 37 PHE CA C 55.604 0.300 1 355 37 37 PHE CB C 39.842 0.300 1 356 37 37 PHE CD1 C 132.403 0.300 1 357 37 37 PHE CD2 C 132.403 0.300 1 358 37 37 PHE CE1 C 130.852 0.300 1 359 37 37 PHE CE2 C 130.852 0.300 1 360 37 37 PHE CZ C 129.497 0.300 1 361 37 37 PHE N N 118.373 0.300 1 362 38 38 PRO HA H 4.391 0.030 1 363 38 38 PRO HB2 H 1.551 0.030 2 364 38 38 PRO HB3 H 2.213 0.030 2 365 38 38 PRO HD2 H 3.326 0.030 2 366 38 38 PRO HD3 H 2.972 0.030 2 367 38 38 PRO HG2 H 0.514 0.030 2 368 38 38 PRO HG3 H 1.172 0.030 2 369 38 38 PRO C C 177.660 0.300 1 370 38 38 PRO CA C 62.193 0.300 1 371 38 38 PRO CB C 31.490 0.300 1 372 38 38 PRO CD C 51.170 0.300 1 373 38 38 PRO CG C 26.513 0.300 1 374 39 39 THR H H 7.809 0.030 1 375 39 39 THR HA H 4.322 0.030 1 376 39 39 THR HB H 4.767 0.030 1 377 39 39 THR HG2 H 1.433 0.030 1 378 39 39 THR C C 174.966 0.300 1 379 39 39 THR CA C 60.648 0.300 1 380 39 39 THR CB C 71.192 0.300 1 381 39 39 THR CG2 C 21.987 0.300 1 382 39 39 THR N N 111.373 0.300 1 383 40 40 GLN H H 8.880 0.030 1 384 40 40 GLN HA H 3.907 0.030 1 385 40 40 GLN HB2 H 2.186 0.030 2 386 40 40 GLN HB3 H 2.104 0.030 2 387 40 40 GLN HE21 H 7.760 0.030 2 388 40 40 GLN HE22 H 6.850 0.030 2 389 40 40 GLN HG2 H 2.446 0.030 2 390 40 40 GLN C C 177.855 0.300 1 391 40 40 GLN CA C 59.243 0.300 1 392 40 40 GLN CB C 28.107 0.300 1 393 40 40 GLN CG C 33.732 0.300 1 394 40 40 GLN N N 120.143 0.300 1 395 40 40 GLN NE2 N 115.187 0.300 1 396 41 41 ALA H H 8.286 0.030 1 397 41 41 ALA HA H 4.212 0.030 1 398 41 41 ALA HB H 1.450 0.030 1 399 41 41 ALA C C 180.741 0.300 1 400 41 41 ALA CA C 55.009 0.300 1 401 41 41 ALA CB C 18.111 0.300 1 402 41 41 ALA N N 119.773 0.300 1 403 42 42 GLU H H 7.772 0.030 1 404 42 42 GLU HA H 4.673 0.030 1 405 42 42 GLU HB2 H 2.072 0.030 2 406 42 42 GLU HB3 H 1.938 0.030 2 407 42 42 GLU HG2 H 2.583 0.030 2 408 42 42 GLU HG3 H 2.085 0.030 2 409 42 42 GLU C C 178.478 0.300 1 410 42 42 GLU CA C 57.730 0.300 1 411 42 42 GLU CB C 28.610 0.300 1 412 42 42 GLU CG C 33.261 0.300 1 413 42 42 GLU N N 122.141 0.300 1 414 43 43 LEU H H 8.472 0.030 1 415 43 43 LEU HA H 3.924 0.030 1 416 43 43 LEU HB2 H 1.350 0.030 2 417 43 43 LEU HB3 H 1.981 0.030 2 418 43 43 LEU HD1 H 0.771 0.030 1 419 43 43 LEU HD2 H 0.676 0.030 1 420 43 43 LEU HG H 1.489 0.030 1 421 43 43 LEU C C 179.842 0.300 1 422 43 43 LEU CA C 58.828 0.300 1 423 43 43 LEU CB C 41.540 0.300 1 424 43 43 LEU CD1 C 25.490 0.300 2 425 43 43 LEU CD2 C 23.449 0.300 2 426 43 43 LEU CG C 27.008 0.300 1 427 43 43 LEU N N 121.542 0.300 1 428 44 44 ASP H H 8.384 0.030 1 429 44 44 ASP HA H 4.447 0.030 1 430 44 44 ASP HB2 H 2.703 0.030 2 431 44 44 ASP HB3 H 2.828 0.030 2 432 44 44 ASP C C 178.428 0.300 1 433 44 44 ASP CA C 57.812 0.300 1 434 44 44 ASP CB C 40.226 0.300 1 435 44 44 ASP N N 119.756 0.300 1 436 45 45 ARG H H 7.979 0.030 1 437 45 45 ARG HA H 4.058 0.030 1 438 45 45 ARG HB2 H 1.913 0.030 2 439 45 45 ARG HB3 H 2.151 0.030 2 440 45 45 ARG HD2 H 2.970 0.030 2 441 45 45 ARG HD3 H 3.447 0.030 2 442 45 45 ARG HE H 8.474 0.030 1 443 45 45 ARG HG2 H 1.412 0.030 2 444 45 45 ARG HG3 H 1.769 0.030 2 445 45 45 ARG C C 179.249 0.300 1 446 45 45 ARG CA C 59.629 0.300 1 447 45 45 ARG CB C 30.553 0.300 1 448 45 45 ARG CD C 42.861 0.300 1 449 45 45 ARG CG C 27.891 0.300 1 450 45 45 ARG N N 123.029 0.300 1 451 45 45 ARG NE N 83.264 0.300 1 452 46 46 LEU H H 8.943 0.030 1 453 46 46 LEU HA H 3.922 0.030 1 454 46 46 LEU HB2 H 1.166 0.030 2 455 46 46 LEU HB3 H 2.265 0.030 2 456 46 46 LEU HD1 H 1.184 0.030 1 457 46 46 LEU HD2 H 0.829 0.030 1 458 46 46 LEU HG H 2.039 0.030 1 459 46 46 LEU C C 180.973 0.300 1 460 46 46 LEU CA C 57.885 0.300 1 461 46 46 LEU CB C 42.943 0.300 1 462 46 46 LEU CD1 C 26.363 0.300 2 463 46 46 LEU CD2 C 23.811 0.300 2 464 46 46 LEU CG C 26.432 0.300 1 465 46 46 LEU N N 118.282 0.300 1 466 47 47 ARG H H 8.421 0.030 1 467 47 47 ARG HA H 4.050 0.030 1 468 47 47 ARG HB2 H 1.922 0.030 2 469 47 47 ARG HB3 H 2.185 0.030 2 470 47 47 ARG HD2 H 3.137 0.030 2 471 47 47 ARG HD3 H 3.392 0.030 2 472 47 47 ARG HG2 H 1.618 0.030 2 473 47 47 ARG HG3 H 2.002 0.030 2 474 47 47 ARG C C 178.760 0.300 1 475 47 47 ARG CA C 60.366 0.300 1 476 47 47 ARG CB C 29.957 0.300 1 477 47 47 ARG CD C 43.859 0.300 1 478 47 47 ARG CG C 26.903 0.300 1 479 47 47 ARG N N 125.416 0.300 1 480 48 48 VAL H H 7.626 0.030 1 481 48 48 VAL HA H 3.700 0.030 1 482 48 48 VAL HB H 2.308 0.030 1 483 48 48 VAL HG1 H 1.119 0.030 1 484 48 48 VAL HG2 H 0.976 0.030 1 485 48 48 VAL C C 178.628 0.300 1 486 48 48 VAL CA C 66.325 0.300 1 487 48 48 VAL CB C 31.902 0.300 1 488 48 48 VAL CG1 C 22.585 0.300 2 489 48 48 VAL CG2 C 21.215 0.300 2 490 48 48 VAL N N 119.769 0.300 1 491 49 49 GLU H H 8.419 0.030 1 492 49 49 GLU HA H 4.202 0.030 1 493 49 49 GLU HB2 H 1.897 0.030 2 494 49 49 GLU HB3 H 2.235 0.030 2 495 49 49 GLU HG2 H 2.396 0.030 2 496 49 49 GLU C C 178.866 0.300 1 497 49 49 GLU CA C 59.062 0.300 1 498 49 49 GLU CB C 30.950 0.300 1 499 49 49 GLU CG C 36.323 0.300 1 500 49 49 GLU N N 116.074 0.300 1 501 50 50 THR H H 8.436 0.030 1 502 50 50 THR HA H 4.335 0.030 1 503 50 50 THR HB H 4.032 0.030 1 504 50 50 THR HG2 H 1.275 0.030 1 505 50 50 THR C C 175.412 0.300 1 506 50 50 THR CA C 63.447 0.300 1 507 50 50 THR CB C 71.702 0.300 1 508 50 50 THR CG2 C 21.815 0.300 1 509 50 50 THR N N 105.198 0.300 1 510 51 51 LYS H H 7.745 0.030 1 511 51 51 LYS HA H 4.032 0.030 1 512 51 51 LYS HB2 H 2.085 0.030 2 513 51 51 LYS HB3 H 2.242 0.030 2 514 51 51 LYS HD2 H 1.732 0.030 2 515 51 51 LYS HD3 H 1.675 0.030 2 516 51 51 LYS HE2 H 3.045 0.030 2 517 51 51 LYS HE3 H 3.086 0.030 2 518 51 51 LYS HG2 H 1.383 0.030 2 519 51 51 LYS C C 175.949 0.300 1 520 51 51 LYS CA C 58.428 0.300 1 521 51 51 LYS CB C 29.225 0.300 1 522 51 51 LYS CD C 29.022 0.300 1 523 51 51 LYS CE C 42.600 0.300 1 524 51 51 LYS CG C 25.333 0.300 1 525 51 51 LYS N N 114.904 0.300 1 526 52 52 LEU H H 7.679 0.030 1 527 52 52 LEU HA H 4.519 0.030 1 528 52 52 LEU HB2 H 1.354 0.030 2 529 52 52 LEU HB3 H 1.736 0.030 2 530 52 52 LEU HD1 H 0.619 0.030 1 531 52 52 LEU HD2 H 0.864 0.030 1 532 52 52 LEU HG H 1.468 0.030 1 533 52 52 LEU C C 176.301 0.300 1 534 52 52 LEU CA C 53.820 0.300 1 535 52 52 LEU CB C 43.987 0.300 1 536 52 52 LEU CD1 C 26.337 0.300 2 537 52 52 LEU CD2 C 23.472 0.300 2 538 52 52 LEU CG C 26.896 0.300 1 539 52 52 LEU N N 120.156 0.300 1 540 53 53 SER H H 8.599 0.030 1 541 53 53 SER HA H 4.454 0.030 1 542 53 53 SER HB2 H 4.108 0.030 2 543 53 53 SER HB3 H 4.413 0.030 2 544 53 53 SER C C 175.265 0.300 1 545 53 53 SER CA C 57.586 0.300 1 546 53 53 SER CB C 65.402 0.300 1 547 53 53 SER N N 114.483 0.300 1 548 54 54 ARG H H 9.030 0.030 1 549 54 54 ARG HA H 3.925 0.030 1 550 54 54 ARG HB2 H 1.932 0.030 1 551 54 54 ARG HB3 H 1.932 0.030 1 552 54 54 ARG HD2 H 3.245 0.030 2 553 54 54 ARG HG2 H 1.769 0.030 2 554 54 54 ARG HG3 H 1.708 0.030 2 555 54 54 ARG C C 178.621 0.300 1 556 54 54 ARG CA C 59.660 0.300 1 557 54 54 ARG CB C 29.594 0.300 1 558 54 54 ARG CD C 42.672 0.300 1 559 54 54 ARG CG C 27.905 0.300 1 560 54 54 ARG N N 121.039 0.300 1 561 55 55 ARG H H 8.472 0.030 1 562 55 55 ARG HA H 4.253 0.030 1 563 55 55 ARG HB2 H 1.863 0.030 2 564 55 55 ARG HB3 H 1.974 0.030 2 565 55 55 ARG HD2 H 3.306 0.030 2 566 55 55 ARG HG2 H 1.775 0.030 2 567 55 55 ARG C C 179.367 0.300 1 568 55 55 ARG CA C 59.387 0.300 1 569 55 55 ARG CB C 30.068 0.300 1 570 55 55 ARG CD C 43.467 0.300 1 571 55 55 ARG CG C 27.217 0.300 1 572 55 55 ARG N N 117.655 0.300 1 573 56 56 GLU H H 7.849 0.030 1 574 56 56 GLU HA H 3.909 0.030 1 575 56 56 GLU HB2 H 2.340 0.030 2 576 56 56 GLU HB3 H 1.847 0.030 2 577 56 56 GLU HG2 H 2.088 0.030 2 578 56 56 GLU C C 179.885 0.300 1 579 56 56 GLU CA C 59.421 0.300 1 580 56 56 GLU CB C 30.907 0.300 1 581 56 56 GLU CG C 37.904 0.300 1 582 56 56 GLU N N 119.916 0.300 1 583 57 57 ILE H H 8.254 0.030 1 584 57 57 ILE HA H 3.732 0.030 1 585 57 57 ILE HB H 1.936 0.030 1 586 57 57 ILE HD1 H 0.710 0.030 1 587 57 57 ILE HG12 H 1.853 0.030 2 588 57 57 ILE HG13 H 0.727 0.030 2 589 57 57 ILE HG2 H 1.146 0.030 1 590 57 57 ILE C C 177.586 0.300 1 591 57 57 ILE CA C 66.553 0.300 1 592 57 57 ILE CB C 38.596 0.300 1 593 57 57 ILE CD1 C 13.654 0.300 1 594 57 57 ILE CG1 C 30.278 0.300 1 595 57 57 ILE CG2 C 19.238 0.300 1 596 57 57 ILE N N 122.354 0.300 1 597 58 58 ASP H H 8.899 0.030 1 598 58 58 ASP HA H 4.621 0.030 1 599 58 58 ASP HB2 H 2.784 0.030 2 600 58 58 ASP HB3 H 2.863 0.030 2 601 58 58 ASP C C 180.161 0.300 1 602 58 58 ASP CA C 58.114 0.300 1 603 58 58 ASP CB C 40.817 0.300 1 604 58 58 ASP N N 121.029 0.300 1 605 59 59 SER H H 8.321 0.030 1 606 59 59 SER HA H 4.371 0.030 1 607 59 59 SER HB2 H 4.100 0.030 2 608 59 59 SER C C 176.017 0.300 1 609 59 59 SER CA C 61.870 0.300 1 610 59 59 SER CB C 63.076 0.300 1 611 59 59 SER N N 114.708 0.300 1 612 60 60 TRP H H 8.209 0.030 1 613 60 60 TRP HA H 4.019 0.030 1 614 60 60 TRP HB2 H 3.276 0.030 2 615 60 60 TRP HB3 H 3.660 0.030 2 616 60 60 TRP HD1 H 7.090 0.030 1 617 60 60 TRP HE1 H 9.967 0.030 1 618 60 60 TRP HE3 H 6.752 0.030 1 619 60 60 TRP HH2 H 6.588 0.030 1 620 60 60 TRP HZ2 H 7.271 0.030 1 621 60 60 TRP HZ3 H 5.713 0.030 1 622 60 60 TRP C C 179.214 0.300 1 623 60 60 TRP CA C 62.981 0.300 1 624 60 60 TRP CB C 28.693 0.300 1 625 60 60 TRP CD1 C 126.021 0.300 1 626 60 60 TRP CE3 C 121.069 0.300 1 627 60 60 TRP CH2 C 124.200 0.300 1 628 60 60 TRP CZ2 C 114.041 0.300 1 629 60 60 TRP CZ3 C 121.197 0.300 1 630 60 60 TRP N N 123.289 0.300 1 631 60 60 TRP NE1 N 128.317 0.300 1 632 61 61 PHE H H 8.941 0.030 1 633 61 61 PHE HA H 3.798 0.030 1 634 61 61 PHE HB2 H 3.226 0.030 2 635 61 61 PHE HB3 H 3.457 0.030 2 636 61 61 PHE HD1 H 7.807 0.030 1 637 61 61 PHE HD2 H 7.807 0.030 1 638 61 61 PHE HE1 H 7.488 0.030 1 639 61 61 PHE HE2 H 7.488 0.030 1 640 61 61 PHE HZ H 7.588 0.030 1 641 61 61 PHE C C 178.097 0.300 1 642 61 61 PHE CA C 63.866 0.300 1 643 61 61 PHE CB C 39.642 0.300 1 644 61 61 PHE CD1 C 131.945 0.300 1 645 61 61 PHE CD2 C 131.945 0.300 1 646 61 61 PHE CE1 C 131.886 0.300 1 647 61 61 PHE CE2 C 131.886 0.300 1 648 61 61 PHE CZ C 130.384 0.300 1 649 61 61 PHE N N 118.838 0.300 1 650 62 62 SER H H 8.179 0.030 1 651 62 62 SER HA H 4.134 0.030 1 652 62 62 SER HB2 H 4.085 0.030 1 653 62 62 SER HB3 H 4.085 0.030 1 654 62 62 SER C C 177.996 0.300 1 655 62 62 SER CA C 62.064 0.300 1 656 62 62 SER CB C 62.890 0.300 1 657 62 62 SER N N 113.145 0.300 1 658 63 63 GLU H H 8.027 0.030 1 659 63 63 GLU HA H 3.910 0.030 1 660 63 63 GLU HB2 H 1.855 0.030 1 661 63 63 GLU HB3 H 1.855 0.030 1 662 63 63 GLU HG2 H 2.248 0.030 2 663 63 63 GLU C C 178.729 0.300 1 664 63 63 GLU CA C 58.637 0.300 1 665 63 63 GLU CB C 29.188 0.300 1 666 63 63 GLU CG C 36.088 0.300 1 667 63 63 GLU N N 120.533 0.300 1 668 64 64 ARG H H 8.166 0.030 1 669 64 64 ARG HA H 3.498 0.030 1 670 64 64 ARG HB2 H -0.232 0.030 2 671 64 64 ARG HB3 H 0.708 0.030 2 672 64 64 ARG HD2 H 2.038 0.030 2 673 64 64 ARG HD3 H 2.440 0.030 2 674 64 64 ARG HE H 9.300 0.030 1 675 64 64 ARG HG2 H -0.566 0.030 2 676 64 64 ARG HG3 H -0.178 0.030 2 677 64 64 ARG C C 179.466 0.300 1 678 64 64 ARG CA C 56.502 0.300 1 679 64 64 ARG CB C 28.148 0.300 1 680 64 64 ARG CD C 40.540 0.300 1 681 64 64 ARG CG C 24.077 0.300 1 682 64 64 ARG N N 122.505 0.300 1 683 64 64 ARG NE N 88.197 0.300 1 684 65 65 ARG H H 8.002 0.030 1 685 65 65 ARG HA H 4.086 0.030 1 686 65 65 ARG HB2 H 2.097 0.030 2 687 65 65 ARG HB3 H 1.916 0.030 2 688 65 65 ARG HD2 H 2.939 0.030 2 689 65 65 ARG HD3 H 2.706 0.030 2 690 65 65 ARG HG2 H 1.588 0.030 2 691 65 65 ARG HG3 H 2.294 0.030 2 692 65 65 ARG C C 177.832 0.300 1 693 65 65 ARG CA C 60.054 0.300 1 694 65 65 ARG CB C 31.425 0.300 1 695 65 65 ARG CD C 43.985 0.300 1 696 65 65 ARG CG C 30.707 0.300 1 697 65 65 ARG N N 117.887 0.300 1 698 66 66 LYS H H 7.356 0.030 1 699 66 66 LYS HA H 4.141 0.030 1 700 66 66 LYS HB2 H 1.894 0.030 1 701 66 66 LYS HB3 H 1.894 0.030 1 702 66 66 LYS HD2 H 1.691 0.030 2 703 66 66 LYS HE2 H 2.947 0.030 2 704 66 66 LYS HG2 H 1.422 0.030 2 705 66 66 LYS C C 178.353 0.300 1 706 66 66 LYS CA C 58.444 0.300 1 707 66 66 LYS CB C 32.288 0.300 1 708 66 66 LYS CD C 29.528 0.300 1 709 66 66 LYS CE C 42.082 0.300 1 710 66 66 LYS CG C 25.176 0.300 1 711 66 66 LYS N N 118.479 0.300 1 712 67 67 LEU H H 7.604 0.030 1 713 67 67 LEU HA H 4.143 0.030 1 714 67 67 LEU HB2 H 1.592 0.030 1 715 67 67 LEU HB3 H 1.592 0.030 1 716 67 67 LEU HD1 H 0.788 0.030 1 717 67 67 LEU HD2 H 0.822 0.030 1 718 67 67 LEU HG H 1.584 0.030 1 719 67 67 LEU C C 178.510 0.300 1 720 67 67 LEU CA C 56.712 0.300 1 721 67 67 LEU CB C 41.857 0.300 1 722 67 67 LEU CD1 C 23.998 0.300 2 723 67 67 LEU CD2 C 24.420 0.300 2 724 67 67 LEU CG C 26.706 0.300 1 725 67 67 LEU N N 120.424 0.300 1 726 68 68 ARG H H 7.914 0.030 1 727 68 68 ARG HA H 4.262 0.030 1 728 68 68 ARG HB2 H 1.857 0.030 2 729 68 68 ARG HB3 H 2.121 0.030 2 730 68 68 ARG HD2 H 3.284 0.030 2 731 68 68 ARG HD3 H 3.312 0.030 2 732 68 68 ARG HG2 H 1.726 0.030 2 733 68 68 ARG HG3 H 1.869 0.030 2 734 68 68 ARG C C 177.396 0.300 1 735 68 68 ARG CA C 57.589 0.300 1 736 68 68 ARG CB C 30.211 0.300 1 737 68 68 ARG CD C 43.459 0.300 1 738 68 68 ARG CG C 26.541 0.300 1 739 68 68 ARG N N 120.638 0.300 1 740 69 69 ASP H H 8.337 0.030 1 741 69 69 ASP HA H 4.592 0.030 1 742 69 69 ASP HB2 H 2.784 0.030 2 743 69 69 ASP HB3 H 2.724 0.030 2 744 69 69 ASP C C 176.826 0.300 1 745 69 69 ASP CA C 55.527 0.300 1 746 69 69 ASP CB C 40.833 0.300 1 747 69 69 ASP N N 119.845 0.300 1 748 70 70 SER H H 8.002 0.030 1 749 70 70 SER HA H 4.473 0.030 1 750 70 70 SER HB2 H 3.967 0.030 1 751 70 70 SER HB3 H 3.967 0.030 1 752 70 70 SER C C 174.524 0.300 1 753 70 70 SER CA C 59.070 0.300 1 754 70 70 SER CB C 63.887 0.300 1 755 70 70 SER N N 114.740 0.300 1 756 71 71 MET H H 8.117 0.030 1 757 71 71 MET HA H 4.559 0.030 1 758 71 71 MET HB2 H 2.073 0.030 2 759 71 71 MET HB3 H 2.219 0.030 2 760 71 71 MET HE H 2.123 0.030 1 761 71 71 MET HG2 H 2.600 0.030 2 762 71 71 MET HG3 H 2.688 0.030 2 763 71 71 MET C C 175.392 0.300 1 764 71 71 MET CA C 55.711 0.300 1 765 71 71 MET CB C 33.246 0.300 1 766 71 71 MET CE C 16.953 0.300 1 767 71 71 MET CG C 32.158 0.300 1 768 71 71 MET N N 121.694 0.300 1 769 72 72 GLU HA H 4.245 0.030 1 770 72 72 GLU HB2 H 2.085 0.030 1 771 72 72 GLU HB3 H 2.085 0.030 1 772 72 72 GLU HG2 H 2.384 0.030 2 773 72 72 GLU C C 177.767 0.300 1 774 72 72 GLU CA C 57.871 0.300 1 775 72 72 GLU CB C 29.798 0.300 1 776 72 72 GLU CG C 36.637 0.300 1 777 73 73 GLN H H 8.210 0.030 1 778 73 73 GLN HA H 4.177 0.030 1 779 73 73 GLN HB2 H 2.134 0.030 1 780 73 73 GLN HB3 H 2.134 0.030 1 781 73 73 GLN HG2 H 2.446 0.030 2 782 73 73 GLN C C 176.422 0.300 1 783 73 73 GLN CA C 56.899 0.300 1 784 73 73 GLN CB C 28.852 0.300 1 785 73 73 GLN CG C 33.811 0.300 1 786 73 73 GLN N N 120.076 0.300 1 787 74 74 ALA H H 8.099 0.030 1 788 74 74 ALA HA H 4.239 0.030 1 789 74 74 ALA HB H 1.472 0.030 1 790 74 74 ALA C C 178.960 0.300 1 791 74 74 ALA CA C 53.837 0.300 1 792 74 74 ALA CB C 18.794 0.300 1 793 74 74 ALA N N 123.168 0.300 1 794 75 75 VAL H H 7.886 0.030 1 795 75 75 VAL HA H 3.985 0.030 1 796 75 75 VAL HB H 2.156 0.030 1 797 75 75 VAL HG1 H 1.033 0.030 1 798 75 75 VAL HG2 H 1.043 0.030 1 799 75 75 VAL C C 177.376 0.300 1 800 75 75 VAL CA C 63.895 0.300 1 801 75 75 VAL CB C 32.450 0.300 1 802 75 75 VAL CG1 C 21.247 0.300 2 803 75 75 VAL CG2 C 20.657 0.300 2 804 75 75 VAL N N 119.018 0.300 1 805 76 76 LEU H H 8.074 0.030 1 806 76 76 LEU HA H 4.291 0.030 1 807 76 76 LEU HB2 H 1.739 0.030 2 808 76 76 LEU HB3 H 1.621 0.030 2 809 76 76 LEU HD1 H 0.944 0.030 1 810 76 76 LEU HD2 H 0.888 0.030 1 811 76 76 LEU HG H 1.746 0.030 1 812 76 76 LEU C C 178.363 0.300 1 813 76 76 LEU CA C 56.247 0.300 1 814 76 76 LEU CB C 42.342 0.300 1 815 76 76 LEU CD1 C 24.904 0.300 2 816 76 76 LEU CD2 C 23.449 0.300 2 817 76 76 LEU CG C 27.111 0.300 1 818 76 76 LEU N N 124.324 0.300 1 819 77 77 ASP H H 8.443 0.030 1 820 77 77 ASP HA H 4.593 0.030 1 821 77 77 ASP HB2 H 2.705 0.030 1 822 77 77 ASP HB3 H 2.705 0.030 1 823 77 77 ASP C C 177.224 0.300 1 824 77 77 ASP CA C 55.364 0.300 1 825 77 77 ASP CB C 40.970 0.300 1 826 77 77 ASP N N 120.595 0.300 1 827 78 78 SER H H 8.121 0.030 1 828 78 78 SER HA H 4.421 0.030 1 829 78 78 SER HB2 H 3.961 0.030 2 830 78 78 SER C C 175.244 0.300 1 831 78 78 SER CA C 58.809 0.300 1 832 78 78 SER CB C 63.674 0.300 1 833 78 78 SER N N 115.700 0.300 1 834 79 79 MET H H 8.202 0.030 1 835 79 79 MET HA H 4.525 0.030 1 836 79 79 MET HB2 H 2.169 0.030 1 837 79 79 MET HB3 H 2.169 0.030 1 838 79 79 MET HG2 H 2.658 0.030 2 839 79 79 MET C C 177.199 0.300 1 840 79 79 MET CA C 56.010 0.300 1 841 79 79 MET CB C 32.610 0.300 1 842 79 79 MET CG C 32.162 0.300 1 843 79 79 MET N N 121.204 0.300 1 844 80 80 GLY H H 8.268 0.030 1 845 80 80 GLY C C 174.529 0.300 1 846 80 80 GLY CA C 45.637 0.300 1 847 80 80 GLY N N 109.108 0.300 1 848 81 81 SER HA H 4.478 0.030 1 849 81 81 SER HB2 H 3.928 0.030 1 850 81 81 SER HB3 H 3.928 0.030 1 851 81 81 SER C C 175.336 0.300 1 852 81 81 SER CA C 58.701 0.300 1 853 81 81 SER CB C 63.977 0.300 1 854 82 82 GLY H H 8.526 0.030 1 855 82 82 GLY HA2 H 4.018 0.030 1 856 82 82 GLY HA3 H 4.018 0.030 1 857 82 82 GLY C C 174.290 0.300 1 858 82 82 GLY CA C 45.485 0.300 1 859 82 82 GLY N N 110.928 0.300 1 860 83 83 LYS H H 8.159 0.030 1 861 83 83 LYS C C 176.692 0.300 1 862 83 83 LYS CA C 56.216 0.300 1 863 83 83 LYS CB C 33.201 0.300 1 864 83 83 LYS N N 120.759 0.300 1 865 88 88 SER HA H 4.509 0.030 1 866 88 88 SER HB2 H 3.905 0.030 1 867 88 88 SER HB3 H 3.905 0.030 1 868 88 88 SER C C 173.946 0.300 1 869 88 88 SER CA C 58.432 0.300 1 870 88 88 SER CB C 64.208 0.300 1 871 89 89 GLY H H 8.058 0.030 1 872 89 89 GLY C C 179.044 0.300 1 873 89 89 GLY CA C 46.233 0.300 1 874 89 89 GLY N N 116.885 0.300 1 stop_ save_