data_25849 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of the homeodomain transcription factor Gbx1[E17R,R52E} from Homo sapiens ; _BMRB_accession_number 25849 _BMRB_flat_file_name bmr25849.str _Entry_type original _Submission_date 2015-10-15 _Accession_date 2015-10-15 _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 Proudfoot Andrew K. . 2 Serrano Pedro . . 3 Geralt Michael . . 4 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 394 "13C chemical shifts" 298 "15N chemical shifts" 76 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-20 update BMRB 'update entry citation' 2015-10-26 original author 'original release' stop_ _Original_release_date 2015-10-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Dynamic Local Polymorphisms in the Gbx1 Homeodomain Induced by DNA Binding ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27396829 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Proudfoot Andrew K. . 2 Geralt Michael . . 3 Elsliger Marc-Andre . . 4 Wilson Ian A. . 5 Wuthrich Kurt . . 6 Serrano Pedro . . stop_ _Journal_abbreviation Structure _Journal_volume 24 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1372 _Page_last 1379 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Gbx1[E17R,R52E] _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 8316.757 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 71 _Mol_residue_sequence ; GAPGGKSRRRRTAFTSEQLL ELRKEFHCKKYLSLTERSQI AHALKLSEVQVKIWFQNERA KWKRIKAGNVS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 ALA 3 3 PRO 4 4 GLY 5 5 GLY 6 6 LYS 7 7 SER 8 8 ARG 9 9 ARG 10 10 ARG 11 11 ARG 12 12 THR 13 13 ALA 14 14 PHE 15 15 THR 16 16 SER 17 17 GLU 18 18 GLN 19 19 LEU 20 20 LEU 21 21 GLU 22 22 LEU 23 23 ARG 24 24 LYS 25 25 GLU 26 26 PHE 27 27 HIS 28 28 CYS 29 29 LYS 30 30 LYS 31 31 TYR 32 32 LEU 33 33 SER 34 34 LEU 35 35 THR 36 36 GLU 37 37 ARG 38 38 SER 39 39 GLN 40 40 ILE 41 41 ALA 42 42 HIS 43 43 ALA 44 44 LEU 45 45 LYS 46 46 LEU 47 47 SER 48 48 GLU 49 49 VAL 50 50 GLN 51 51 VAL 52 52 LYS 53 53 ILE 54 54 TRP 55 55 PHE 56 56 GLN 57 57 ASN 58 58 GLU 59 59 ARG 60 60 ALA 61 61 LYS 62 62 TRP 63 63 LYS 64 64 ARG 65 65 ILE 66 66 LYS 67 67 ALA 68 68 GLY 69 69 ASN 70 70 VAL 71 71 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity humans 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 _Variant _Vector_name $entity 'recombinant technology' . Escherichia coli BL21 DE3 pET28b 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 1.2 mM '[U-99% 13C; U-98% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 5 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_DYANA _Saveframe_category software _Name DYANA _Version . loop_ _Vendor _Address _Electronic_address 'G??ntert P.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.0798 . M pH 6.0 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . 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 C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 3 3 PRO HA H 4.365 0.008 . 2 3 3 PRO C C 177.410 0.179 . 3 3 3 PRO CA C 63.261 0.179 . 4 3 3 PRO CB C 31.782 0.179 . 5 4 4 GLY H H 8.463 0.008 . 6 4 4 GLY C C 173.688 0.179 . 7 4 4 GLY CA C 45.075 0.179 . 8 4 4 GLY N N 109.481 0.132 . 9 5 5 GLY H H 8.226 0.008 . 10 5 5 GLY HA2 H 3.906 0.008 . 11 5 5 GLY HA3 H 3.906 0.008 . 12 5 5 GLY C C 174.231 0.179 . 13 5 5 GLY CA C 45.382 0.179 . 14 5 5 GLY N N 108.665 0.132 . 15 6 6 LYS H H 8.238 0.008 . 16 6 6 LYS HA H 4.256 0.008 . 17 6 6 LYS C C 176.715 0.179 . 18 6 6 LYS CA C 56.292 0.179 . 19 6 6 LYS CB C 32.806 0.179 . 20 6 6 LYS N N 120.860 0.132 . 21 7 7 SER H H 8.274 0.008 . 22 7 7 SER HA H 4.344 0.008 . 23 7 7 SER C C 174.437 0.179 . 24 7 7 SER CA C 58.373 0.179 . 25 7 7 SER CB C 63.557 0.179 . 26 7 7 SER N N 116.762 0.132 . 27 8 8 ARG H H 8.343 0.008 . 28 8 8 ARG HA H 4.263 0.008 . 29 8 8 ARG C C 176.017 0.179 . 30 8 8 ARG CA C 55.951 0.179 . 31 8 8 ARG CB C 30.533 0.179 . 32 8 8 ARG N N 123.315 0.132 . 33 9 9 ARG H H 8.270 0.008 . 34 9 9 ARG HA H 4.228 0.008 . 35 9 9 ARG C C 176.001 0.179 . 36 9 9 ARG CA C 55.936 0.179 . 37 9 9 ARG CB C 30.625 0.179 . 38 9 9 ARG N N 122.423 0.132 . 39 10 10 ARG H H 8.382 0.008 . 40 10 10 ARG HA H 4.249 0.008 . 41 10 10 ARG C C 176.008 0.179 . 42 10 10 ARG CA C 55.866 0.179 . 43 10 10 ARG CB C 30.716 0.179 . 44 10 10 ARG N N 123.297 0.132 . 45 11 11 ARG H H 8.463 0.008 . 46 11 11 ARG HA H 4.312 0.008 . 47 11 11 ARG C C 176.115 0.179 . 48 11 11 ARG CA C 56.079 0.179 . 49 11 11 ARG CB C 30.783 0.179 . 50 11 11 ARG N N 123.308 0.132 . 51 12 12 THR H H 8.176 0.008 . 52 12 12 THR HA H 4.193 0.008 . 53 12 12 THR HB H 4.049 0.008 . 54 12 12 THR HG2 H 1.043 0.008 . 55 12 12 THR C C 173.498 0.179 . 56 12 12 THR CA C 61.491 0.179 . 57 12 12 THR CB C 69.706 0.179 . 58 12 12 THR N N 116.294 0.132 . 59 13 13 ALA H H 8.184 0.008 . 60 13 13 ALA HA H 4.221 0.008 . 61 13 13 ALA HB H 1.195 0.008 . 62 13 13 ALA C C 176.874 0.179 . 63 13 13 ALA CA C 52.023 0.179 . 64 13 13 ALA CB C 19.632 0.179 . 65 13 13 ALA N N 127.117 0.132 . 66 14 14 PHE H H 7.979 0.008 . 67 14 14 PHE HA H 4.892 0.008 . 68 14 14 PHE HB2 H 3.139 0.008 . 69 14 14 PHE HB3 H 2.723 0.008 . 70 14 14 PHE HD1 H 7.041 0.008 . 71 14 14 PHE HD2 H 7.178 0.008 . 72 14 14 PHE HE1 H 7.321 0.008 . 73 14 14 PHE HE2 H 7.321 0.008 . 74 14 14 PHE C C 176.653 0.179 . 75 14 14 PHE CA C 56.134 0.179 . 76 14 14 PHE CB C 40.512 0.179 . 77 14 14 PHE CD1 C 128.420 0.179 . 78 14 14 PHE CD2 C 128.476 0.179 . 79 14 14 PHE CE1 C 126.347 0.179 . 80 14 14 PHE CE2 C 126.347 0.179 . 81 14 14 PHE N N 118.798 0.132 . 82 15 15 THR H H 9.006 0.008 . 83 15 15 THR HA H 4.426 0.008 . 84 15 15 THR HB H 4.750 0.008 . 85 15 15 THR HG2 H 1.235 0.008 . 86 15 15 THR C C 175.371 0.179 . 87 15 15 THR CA C 60.434 0.179 . 88 15 15 THR CB C 70.826 0.179 . 89 15 15 THR CG2 C 21.777 0.179 . 90 15 15 THR N N 113.522 0.132 . 91 16 16 SER H H 9.027 0.008 . 92 16 16 SER HA H 3.862 0.008 . 93 16 16 SER HB2 H 4.056 0.008 . 94 16 16 SER HB3 H 4.056 0.008 . 95 16 16 SER C C 176.742 0.179 . 96 16 16 SER CA C 62.165 0.179 . 97 16 16 SER CB C 61.908 0.179 . 98 16 16 SER N N 116.611 0.132 . 99 17 17 GLU H H 8.629 0.008 . 100 17 17 GLU HA H 3.943 0.008 . 101 17 17 GLU HB2 H 1.987 0.008 . 102 17 17 GLU HB3 H 1.883 0.008 . 103 17 17 GLU HG2 H 2.208 0.008 . 104 17 17 GLU HG3 H 2.288 0.008 . 105 17 17 GLU C C 178.802 0.179 . 106 17 17 GLU CA C 60.081 0.179 . 107 17 17 GLU CB C 29.106 0.179 . 108 17 17 GLU CG C 36.835 0.179 . 109 17 17 GLU N N 120.901 0.132 . 110 18 18 GLN H H 7.653 0.008 . 111 18 18 GLN HA H 3.746 0.008 . 112 18 18 GLN HB2 H 1.431 0.008 . 113 18 18 GLN HB3 H 2.499 0.008 . 114 18 18 GLN HG2 H 2.269 0.008 . 115 18 18 GLN HG3 H 2.556 0.008 . 116 18 18 GLN HE21 H 6.529 0.008 . 117 18 18 GLN HE22 H 7.600 0.008 . 118 18 18 GLN C C 177.493 0.179 . 119 18 18 GLN CA C 58.884 0.179 . 120 18 18 GLN CB C 28.058 0.179 . 121 18 18 GLN CG C 34.893 0.179 . 122 18 18 GLN N N 118.523 0.132 . 123 18 18 GLN NE2 N 110.935 0.132 . 124 19 19 LEU H H 8.085 0.008 . 125 19 19 LEU HA H 3.532 0.008 . 126 19 19 LEU HB2 H 1.358 0.008 . 127 19 19 LEU HB3 H 1.680 0.008 . 128 19 19 LEU HG H 1.533 0.008 . 129 19 19 LEU HD1 H 0.725 0.008 . 130 19 19 LEU HD2 H 0.843 0.008 . 131 19 19 LEU C C 178.289 0.179 . 132 19 19 LEU CA C 57.719 0.179 . 133 19 19 LEU CB C 41.990 0.179 . 134 19 19 LEU CG C 26.986 0.179 . 135 19 19 LEU CD1 C 23.814 0.179 . 136 19 19 LEU CD2 C 25.019 0.179 . 137 19 19 LEU N N 117.349 0.132 . 138 20 20 LEU H H 7.891 0.008 . 139 20 20 LEU HA H 3.872 0.008 . 140 20 20 LEU HB2 H 1.606 0.008 . 141 20 20 LEU HB3 H 1.729 0.008 . 142 20 20 LEU HG H 1.550 0.008 . 143 20 20 LEU HD1 H 0.804 0.008 . 144 20 20 LEU HD2 H 0.828 0.008 . 145 20 20 LEU C C 179.808 0.179 . 146 20 20 LEU CA C 58.332 0.179 . 147 20 20 LEU CB C 42.004 0.179 . 148 20 20 LEU CG C 27.162 0.179 . 149 20 20 LEU CD1 C 24.418 0.179 . 150 20 20 LEU CD2 C 24.888 0.179 . 151 20 20 LEU N N 118.800 0.132 . 152 21 21 GLU H H 7.373 0.008 . 153 21 21 GLU HA H 4.037 0.008 . 154 21 21 GLU HB2 H 1.901 0.008 . 155 21 21 GLU HB3 H 2.008 0.008 . 156 21 21 GLU HG2 H 2.223 0.008 . 157 21 21 GLU HG3 H 2.341 0.008 . 158 21 21 GLU C C 175.996 0.179 . 159 21 21 GLU CA C 58.410 0.179 . 160 21 21 GLU CB C 29.813 0.179 . 161 21 21 GLU CG C 35.063 0.179 . 162 21 21 GLU N N 118.036 0.132 . 163 22 22 LEU H H 8.090 0.008 . 164 22 22 LEU HA H 3.486 0.008 . 165 22 22 LEU HB2 H -0.809 0.008 . 166 22 22 LEU HB3 H 0.564 0.008 . 167 22 22 LEU HG H 0.374 0.008 . 168 22 22 LEU HD1 H -0.615 0.008 . 169 22 22 LEU HD2 H 1.058 0.008 . 170 22 22 LEU CA C 58.255 0.179 . 171 22 22 LEU CB C 38.435 0.179 . 172 22 22 LEU CG C 22.581 0.179 . 173 22 22 LEU CD1 C 24.163 0.179 . 174 22 22 LEU CD2 C 25.889 0.179 . 175 22 22 LEU N N 121.854 0.132 . 176 23 23 ARG H H 8.048 0.008 . 177 23 23 ARG HA H 3.925 0.008 . 178 23 23 ARG HB2 H 1.822 0.008 . 179 23 23 ARG HB3 H 1.822 0.008 . 180 23 23 ARG HG2 H 1.685 0.008 . 181 23 23 ARG HG3 H 1.917 0.008 . 182 23 23 ARG HD2 H 3.115 0.008 . 183 23 23 ARG HD3 H 3.115 0.008 . 184 23 23 ARG CA C 60.148 0.179 . 185 23 23 ARG CB C 30.011 0.179 . 186 23 23 ARG CG C 29.014 0.179 . 187 23 23 ARG CD C 43.433 0.179 . 188 23 23 ARG N N 116.956 0.132 . 189 24 24 LYS H H 7.780 0.008 . 190 24 24 LYS HA H 3.981 0.008 . 191 24 24 LYS HB2 H 1.914 0.008 . 192 24 24 LYS HB3 H 1.914 0.008 . 193 24 24 LYS HG2 H 1.538 0.008 . 194 24 24 LYS HG3 H 1.538 0.008 . 195 24 24 LYS HD2 H 1.690 0.008 . 196 24 24 LYS HD3 H 1.690 0.008 . 197 24 24 LYS CA C 59.709 0.179 . 198 24 24 LYS CB C 32.442 0.179 . 199 24 24 LYS N N 121.392 0.132 . 200 25 25 GLU H H 8.005 0.008 . 201 25 25 GLU HA H 4.240 0.008 . 202 25 25 GLU HB2 H 2.230 0.008 . 203 25 25 GLU HB3 H 2.230 0.008 . 204 25 25 GLU HG2 H 2.263 0.008 . 205 25 25 GLU HG3 H 2.489 0.008 . 206 25 25 GLU C C 178.495 0.179 . 207 25 25 GLU CA C 58.763 0.179 . 208 25 25 GLU CB C 28.715 0.179 . 209 25 25 GLU CG C 34.612 0.179 . 210 25 25 GLU N N 119.698 0.132 . 211 26 26 PHE H H 8.782 0.008 . 212 26 26 PHE HA H 4.631 0.008 . 213 26 26 PHE HB2 H 2.990 0.008 . 214 26 26 PHE HB3 H 3.036 0.008 . 215 26 26 PHE HD1 H 6.887 0.008 . 216 26 26 PHE HD2 H 6.851 0.008 . 217 26 26 PHE HE1 H 6.844 0.008 . 218 26 26 PHE HE2 H 6.844 0.008 . 219 26 26 PHE HZ H 6.566 0.008 . 220 26 26 PHE C C 176.071 0.179 . 221 26 26 PHE CA C 59.830 0.179 . 222 26 26 PHE CB C 39.581 0.179 . 223 26 26 PHE CD1 C 129.513 0.179 . 224 26 26 PHE CD2 C 129.486 0.179 . 225 26 26 PHE CE1 C 127.993 0.179 . 226 26 26 PHE CE2 C 127.993 0.179 . 227 26 26 PHE CZ C 125.865 0.179 . 228 26 26 PHE N N 121.062 0.132 . 229 27 27 HIS H H 7.786 0.008 . 230 27 27 HIS HA H 4.034 0.008 . 231 27 27 HIS HB2 H 3.196 0.008 . 232 27 27 HIS HB3 H 3.196 0.008 . 233 27 27 HIS HD2 H 6.927 0.008 . 234 27 27 HIS CA C 58.231 0.179 . 235 27 27 HIS CB C 29.096 0.179 . 236 27 27 HIS CD2 C 118.030 0.179 . 237 27 27 HIS N N 115.944 0.132 . 238 28 28 CYS H H 7.330 0.008 . 239 28 28 CYS C C 175.913 0.179 . 240 28 28 CYS CA C 51.047 0.179 . 241 28 28 CYS CB C 49.898 0.179 . 242 28 28 CYS N N 113.854 0.132 . 243 29 29 LYS H H 8.355 0.008 . 244 29 29 LYS HA H 4.264 0.008 . 245 29 29 LYS HB2 H 1.625 0.008 . 246 29 29 LYS HB3 H 1.751 0.008 . 247 29 29 LYS HG2 H 1.321 0.008 . 248 29 29 LYS HG3 H 1.253 0.008 . 249 29 29 LYS HD2 H 1.597 0.008 . 250 29 29 LYS HD3 H 1.597 0.008 . 251 29 29 LYS HE2 H 2.915 0.008 . 252 29 29 LYS HE3 H 2.915 0.008 . 253 29 29 LYS C C 172.365 0.179 . 254 29 29 LYS CA C 56.072 0.179 . 255 29 29 LYS CB C 35.073 0.179 . 256 29 29 LYS CG C 24.743 0.179 . 257 29 29 LYS CD C 29.519 0.179 . 258 29 29 LYS CE C 42.259 0.179 . 259 29 29 LYS N N 121.350 0.132 . 260 30 30 LYS H H 7.845 0.008 . 261 30 30 LYS HA H 3.716 0.008 . 262 30 30 LYS HB2 H 1.393 0.008 . 263 30 30 LYS HB3 H 1.093 0.008 . 264 30 30 LYS HG2 H 0.388 0.008 . 265 30 30 LYS HG3 H 0.698 0.008 . 266 30 30 LYS C C 174.932 0.179 . 267 30 30 LYS CA C 55.928 0.179 . 268 30 30 LYS CB C 32.548 0.179 . 269 30 30 LYS CG C 24.324 0.179 . 270 30 30 LYS N N 117.744 0.132 . 271 31 31 TYR H H 7.271 0.008 . 272 31 31 TYR HA H 4.500 0.008 . 273 31 31 TYR HB2 H 2.603 0.008 . 274 31 31 TYR HB3 H 2.843 0.008 . 275 31 31 TYR HD1 H 7.022 0.008 . 276 31 31 TYR HD2 H 7.022 0.008 . 277 31 31 TYR HE1 H 6.749 0.008 . 278 31 31 TYR HE2 H 6.749 0.008 . 279 31 31 TYR CA C 56.394 0.179 . 280 31 31 TYR CB C 41.161 0.179 . 281 31 31 TYR CD1 C 130.702 0.179 . 282 31 31 TYR CD2 C 130.700 0.179 . 283 31 31 TYR CE1 C 115.140 0.179 . 284 31 31 TYR CE2 C 115.140 0.179 . 285 31 31 TYR N N 113.437 0.132 . 286 32 32 LEU H H 8.276 0.008 . 287 32 32 LEU HA H 4.621 0.008 . 288 32 32 LEU HB2 H 1.401 0.008 . 289 32 32 LEU HB3 H 1.257 0.008 . 290 32 32 LEU HG H 0.624 0.008 . 291 32 32 LEU HD1 H 0.029 0.008 . 292 32 32 LEU HD2 H 0.407 0.008 . 293 32 32 LEU C C 177.448 0.179 . 294 32 32 LEU CA C 52.785 0.179 . 295 32 32 LEU CB C 44.699 0.179 . 296 32 32 LEU CG C 26.494 0.179 . 297 32 32 LEU CD1 C 26.426 0.179 . 298 32 32 LEU CD2 C 22.653 0.179 . 299 32 32 LEU N N 122.416 0.132 . 300 33 33 SER H H 9.224 0.008 . 301 33 33 SER HA H 4.495 0.008 . 302 33 33 SER HB2 H 3.918 0.008 . 303 33 33 SER HB3 H 4.292 0.008 . 304 33 33 SER C C 174.599 0.179 . 305 33 33 SER CA C 56.591 0.179 . 306 33 33 SER CB C 64.944 0.179 . 307 33 33 SER N N 119.021 0.132 . 308 34 34 LEU H H 8.742 0.008 . 309 34 34 LEU HA H 3.906 0.008 . 310 34 34 LEU HB2 H 1.614 0.008 . 311 34 34 LEU HB3 H 1.686 0.008 . 312 34 34 LEU HG H 1.622 0.008 . 313 34 34 LEU HD1 H 0.871 0.008 . 314 34 34 LEU HD2 H 0.835 0.008 . 315 34 34 LEU C C 179.869 0.179 . 316 34 34 LEU CA C 58.918 0.179 . 317 34 34 LEU CB C 41.385 0.179 . 318 34 34 LEU CG C 27.217 0.179 . 319 34 34 LEU CD1 C 24.446 0.179 . 320 34 34 LEU CD2 C 24.023 0.179 . 321 34 34 LEU N N 121.555 0.132 . 322 35 35 THR H H 8.039 0.008 . 323 35 35 THR HA H 3.861 0.008 . 324 35 35 THR HB H 3.956 0.008 . 325 35 35 THR HG2 H 1.142 0.008 . 326 35 35 THR C C 176.846 0.179 . 327 35 35 THR CA C 65.790 0.179 . 328 35 35 THR CB C 68.421 0.179 . 329 35 35 THR CG2 C 21.835 0.179 . 330 35 35 THR N N 113.629 0.132 . 331 36 36 GLU H H 7.619 0.008 . 332 36 36 GLU HA H 3.911 0.008 . 333 36 36 GLU HB2 H 1.796 0.008 . 334 36 36 GLU HB3 H 2.177 0.008 . 335 36 36 GLU HG2 H 2.178 0.008 . 336 36 36 GLU HG3 H 2.178 0.008 . 337 36 36 GLU C C 178.858 0.179 . 338 36 36 GLU CA C 58.847 0.179 . 339 36 36 GLU CB C 30.538 0.179 . 340 36 36 GLU CG C 37.110 0.179 . 341 36 36 GLU N N 122.918 0.132 . 342 37 37 ARG H H 8.661 0.008 . 343 37 37 ARG HA H 3.684 0.008 . 344 37 37 ARG HB2 H 1.778 0.008 . 345 37 37 ARG HB3 H 1.876 0.008 . 346 37 37 ARG HG2 H 1.271 0.008 . 347 37 37 ARG HG3 H 1.566 0.008 . 348 37 37 ARG HD2 H 3.119 0.008 . 349 37 37 ARG HD3 H 3.119 0.008 . 350 37 37 ARG C C 177.748 0.179 . 351 37 37 ARG CA C 60.036 0.179 . 352 37 37 ARG CB C 30.812 0.179 . 353 37 37 ARG CG C 27.968 0.179 . 354 37 37 ARG CD C 43.444 0.179 . 355 37 37 ARG N N 119.042 0.132 . 356 38 38 SER H H 7.998 0.008 . 357 38 38 SER HA H 4.004 0.008 . 358 38 38 SER HB2 H 3.882 0.008 . 359 38 38 SER HB3 H 3.935 0.008 . 360 38 38 SER C C 176.517 0.179 . 361 38 38 SER CA C 61.804 0.179 . 362 38 38 SER CB C 62.810 0.179 . 363 38 38 SER N N 113.447 0.132 . 364 39 39 GLN H H 7.944 0.008 . 365 39 39 GLN HA H 4.047 0.008 . 366 39 39 GLN HB2 H 2.075 0.008 . 367 39 39 GLN HB3 H 2.166 0.008 . 368 39 39 GLN HG2 H 2.342 0.008 . 369 39 39 GLN HG3 H 2.480 0.008 . 370 39 39 GLN HE21 H 6.841 0.008 . 371 39 39 GLN HE22 H 7.352 0.008 . 372 39 39 GLN C C 178.889 0.179 . 373 39 39 GLN CA C 59.090 0.179 . 374 39 39 GLN CB C 28.315 0.179 . 375 39 39 GLN CG C 33.928 0.179 . 376 39 39 GLN N N 121.739 0.132 . 377 39 39 GLN NE2 N 111.285 0.132 . 378 40 40 ILE H H 8.109 0.008 . 379 40 40 ILE HA H 3.837 0.008 . 380 40 40 ILE HB H 1.684 0.008 . 381 40 40 ILE HG12 H 1.006 0.008 . 382 40 40 ILE HG13 H 1.621 0.008 . 383 40 40 ILE HG2 H 0.681 0.008 . 384 40 40 ILE HD1 H 0.790 0.008 . 385 40 40 ILE C C 176.844 0.179 . 386 40 40 ILE CA C 64.398 0.179 . 387 40 40 ILE CB C 38.175 0.179 . 388 40 40 ILE CG1 C 29.702 0.179 . 389 40 40 ILE CG2 C 14.279 0.179 . 390 40 40 ILE CD1 C 17.900 0.179 . 391 40 40 ILE N N 121.471 0.132 . 392 41 41 ALA H H 8.223 0.008 . 393 41 41 ALA HA H 3.594 0.008 . 394 41 41 ALA HB H 1.321 0.008 . 395 41 41 ALA C C 179.238 0.179 . 396 41 41 ALA CA C 55.926 0.179 . 397 41 41 ALA CB C 17.584 0.179 . 398 41 41 ALA N N 121.897 0.132 . 399 42 42 HIS H H 8.011 0.008 . 400 42 42 HIS HA H 4.323 0.008 . 401 42 42 HIS HB2 H 3.239 0.008 . 402 42 42 HIS HB3 H 3.239 0.008 . 403 42 42 HIS HD2 H 7.222 0.008 . 404 42 42 HIS C C 178.003 0.179 . 405 42 42 HIS CA C 58.745 0.179 . 406 42 42 HIS CB C 28.762 0.179 . 407 42 42 HIS CD2 C 117.296 0.179 . 408 42 42 HIS N N 114.139 0.132 . 409 43 43 ALA H H 8.067 0.008 . 410 43 43 ALA HA H 3.992 0.008 . 411 43 43 ALA HB H 1.458 0.008 . 412 43 43 ALA C C 179.235 0.179 . 413 43 43 ALA CA C 54.911 0.179 . 414 43 43 ALA CB C 18.403 0.179 . 415 43 43 ALA N N 121.931 0.132 . 416 44 44 LEU H H 7.939 0.008 . 417 44 44 LEU HA H 4.239 0.008 . 418 44 44 LEU HB2 H 1.519 0.008 . 419 44 44 LEU HB3 H 1.372 0.008 . 420 44 44 LEU HG H 1.868 0.008 . 421 44 44 LEU HD1 H 0.621 0.008 . 422 44 44 LEU HD2 H 0.665 0.008 . 423 44 44 LEU C C 175.891 0.179 . 424 44 44 LEU CA C 54.236 0.179 . 425 44 44 LEU CB C 42.580 0.179 . 426 44 44 LEU CG C 26.802 0.179 . 427 44 44 LEU CD1 C 26.227 0.179 . 428 44 44 LEU CD2 C 22.675 0.179 . 429 44 44 LEU N N 114.067 0.132 . 430 45 45 LYS H H 7.735 0.008 . 431 45 45 LYS HA H 3.877 0.008 . 432 45 45 LYS HB2 H 1.771 0.008 . 433 45 45 LYS HB3 H 2.072 0.008 . 434 45 45 LYS HG2 H 1.248 0.008 . 435 45 45 LYS HG3 H 1.248 0.008 . 436 45 45 LYS C C 175.207 0.179 . 437 45 45 LYS CA C 57.254 0.179 . 438 45 45 LYS CB C 28.397 0.179 . 439 45 45 LYS CG C 24.984 0.179 . 440 45 45 LYS N N 116.940 0.132 . 441 46 46 LEU H H 8.285 0.008 . 442 46 46 LEU HA H 4.707 0.008 . 443 46 46 LEU HB2 H 1.166 0.008 . 444 46 46 LEU HB3 H 1.500 0.008 . 445 46 46 LEU HG H 1.380 0.008 . 446 46 46 LEU HD1 H 0.701 0.008 . 447 46 46 LEU HD2 H 0.446 0.008 . 448 46 46 LEU C C 175.958 0.179 . 449 46 46 LEU CA C 52.339 0.179 . 450 46 46 LEU CB C 47.312 0.179 . 451 46 46 LEU CG C 26.254 0.179 . 452 46 46 LEU CD1 C 23.655 0.179 . 453 46 46 LEU CD2 C 26.944 0.179 . 454 46 46 LEU N N 119.505 0.132 . 455 47 47 SER H H 8.726 0.008 . 456 47 47 SER HA H 4.641 0.008 . 457 47 47 SER HB2 H 3.879 0.008 . 458 47 47 SER HB3 H 4.243 0.008 . 459 47 47 SER C C 175.899 0.179 . 460 47 47 SER CA C 56.675 0.179 . 461 47 47 SER CB C 64.911 0.179 . 462 47 47 SER N N 114.844 0.132 . 463 48 48 GLU H H 9.152 0.008 . 464 48 48 GLU HA H 3.595 0.008 . 465 48 48 GLU HB2 H 1.970 0.008 . 466 48 48 GLU HB3 H 1.970 0.008 . 467 48 48 GLU HG2 H 2.044 0.008 . 468 48 48 GLU HG3 H 2.317 0.008 . 469 48 48 GLU C C 178.430 0.179 . 470 48 48 GLU CA C 61.115 0.179 . 471 48 48 GLU CB C 29.010 0.179 . 472 48 48 GLU CG C 37.507 0.179 . 473 48 48 GLU N N 122.920 0.132 . 474 49 49 VAL H H 7.931 0.008 . 475 49 49 VAL HA H 3.690 0.008 . 476 49 49 VAL HB H 1.977 0.008 . 477 49 49 VAL HG1 H 1.021 0.008 . 478 49 49 VAL HG2 H 0.930 0.008 . 479 49 49 VAL C C 177.001 0.179 . 480 49 49 VAL CA C 65.753 0.179 . 481 49 49 VAL CB C 31.809 0.179 . 482 49 49 VAL CG1 C 22.760 0.179 . 483 49 49 VAL CG2 C 20.932 0.179 . 484 49 49 VAL N N 118.053 0.132 . 485 50 50 GLN H H 7.632 0.008 . 486 50 50 GLN HA H 4.074 0.008 . 487 50 50 GLN HB2 H 2.542 0.008 . 488 50 50 GLN HB3 H 2.008 0.008 . 489 50 50 GLN HG2 H 2.428 0.008 . 490 50 50 GLN HG3 H 2.428 0.008 . 491 50 50 GLN HE21 H 6.873 0.008 . 492 50 50 GLN HE22 H 7.361 0.008 . 493 50 50 GLN C C 179.480 0.179 . 494 50 50 GLN CA C 59.254 0.179 . 495 50 50 GLN CB C 29.657 0.179 . 496 50 50 GLN CG C 35.580 0.179 . 497 50 50 GLN N N 119.121 0.132 . 498 50 50 GLN NE2 N 112.710 0.132 . 499 51 51 VAL H H 7.617 0.008 . 500 51 51 VAL HA H 3.644 0.008 . 501 51 51 VAL HB H 2.142 0.008 . 502 51 51 VAL HG1 H 0.898 0.008 . 503 51 51 VAL HG2 H 0.925 0.008 . 504 51 51 VAL C C 176.652 0.179 . 505 51 51 VAL CA C 67.421 0.179 . 506 51 51 VAL CB C 32.160 0.179 . 507 51 51 VAL CG1 C 23.617 0.179 . 508 51 51 VAL CG2 C 22.529 0.179 . 509 51 51 VAL N N 118.983 0.132 . 510 52 52 LYS H H 8.446 0.008 . 511 52 52 LYS HA H 4.167 0.008 . 512 52 52 LYS HB2 H 2.147 0.008 . 513 52 52 LYS HB3 H 1.797 0.008 . 514 52 52 LYS HG2 H 1.280 0.008 . 515 52 52 LYS HG3 H 1.503 0.008 . 516 52 52 LYS HD2 H 1.622 0.008 . 517 52 52 LYS HD3 H 1.690 0.008 . 518 52 52 LYS HE2 H 2.905 0.008 . 519 52 52 LYS HE3 H 2.905 0.008 . 520 52 52 LYS C C 179.592 0.179 . 521 52 52 LYS CA C 59.948 0.179 . 522 52 52 LYS CB C 33.291 0.179 . 523 52 52 LYS CG C 24.975 0.179 . 524 52 52 LYS CD C 29.951 0.179 . 525 52 52 LYS CE C 42.230 0.179 . 526 52 52 LYS N N 120.962 0.132 . 527 53 53 ILE H H 8.624 0.008 . 528 53 53 ILE HA H 3.735 0.008 . 529 53 53 ILE HB H 1.983 0.008 . 530 53 53 ILE HG12 H 1.706 0.008 . 531 53 53 ILE HG13 H 1.251 0.008 . 532 53 53 ILE HG2 H 0.926 0.008 . 533 53 53 ILE HD1 H 0.795 0.008 . 534 53 53 ILE C C 177.452 0.179 . 535 53 53 ILE CA C 64.226 0.179 . 536 53 53 ILE CB C 38.026 0.179 . 537 53 53 ILE CG1 C 29.244 0.179 . 538 53 53 ILE CG2 C 17.421 0.179 . 539 53 53 ILE CD1 C 12.870 0.179 . 540 53 53 ILE N N 120.085 0.132 . 541 54 54 TRP H H 8.347 0.008 . 542 54 54 TRP HA H 3.987 0.008 . 543 54 54 TRP HB2 H 3.319 0.008 . 544 54 54 TRP HB3 H 3.450 0.008 . 545 54 54 TRP HD1 H 6.785 0.008 . 546 54 54 TRP HE1 H 9.111 0.008 . 547 54 54 TRP HZ2 H 6.815 0.008 . 548 54 54 TRP HZ3 H 6.142 0.008 . 549 54 54 TRP C C 179.143 0.179 . 550 54 54 TRP CA C 63.592 0.179 . 551 54 54 TRP CB C 28.940 0.179 . 552 54 54 TRP CD1 C 124.206 0.179 . 553 54 54 TRP CZ2 C 111.132 0.179 . 554 54 54 TRP CZ3 C 119.846 0.179 . 555 54 54 TRP N N 122.169 0.132 . 556 54 54 TRP NE1 N 128.446 0.132 . 557 55 55 PHE H H 8.874 0.008 . 558 55 55 PHE HA H 3.654 0.008 . 559 55 55 PHE HB2 H 3.172 0.008 . 560 55 55 PHE HB3 H 3.455 0.008 . 561 55 55 PHE HD1 H 7.660 0.008 . 562 55 55 PHE HD2 H 7.660 0.008 . 563 55 55 PHE HE1 H 7.484 0.008 . 564 55 55 PHE HE2 H 7.147 0.008 . 565 55 55 PHE C C 177.833 0.179 . 566 55 55 PHE CA C 63.202 0.179 . 567 55 55 PHE CB C 39.539 0.179 . 568 55 55 PHE CD1 C 129.154 0.179 . 569 55 55 PHE CD2 C 129.154 0.179 . 570 55 55 PHE CE1 C 129.297 0.179 . 571 55 55 PHE CE2 C 126.666 0.179 . 572 55 55 PHE N N 118.530 0.132 . 573 56 56 GLN H H 8.068 0.008 . 574 56 56 GLN HA H 3.889 0.008 . 575 56 56 GLN HB2 H 2.147 0.008 . 576 56 56 GLN HB3 H 2.236 0.008 . 577 56 56 GLN HG2 H 2.393 0.008 . 578 56 56 GLN HG3 H 2.494 0.008 . 579 56 56 GLN HE21 H 6.730 0.008 . 580 56 56 GLN HE22 H 7.568 0.008 . 581 56 56 GLN C C 179.052 0.179 . 582 56 56 GLN CA C 59.485 0.179 . 583 56 56 GLN CB C 28.569 0.179 . 584 56 56 GLN CG C 34.007 0.179 . 585 56 56 GLN N N 118.313 0.132 . 586 56 56 GLN NE2 N 111.285 0.132 . 587 57 57 ASN H H 8.429 0.008 . 588 57 57 ASN HA H 4.281 0.008 . 589 57 57 ASN HB2 H 2.465 0.008 . 590 57 57 ASN HB3 H 2.671 0.008 . 591 57 57 ASN HD21 H 6.820 0.008 . 592 57 57 ASN HD22 H 7.510 0.008 . 593 57 57 ASN C C 177.385 0.179 . 594 57 57 ASN CA C 55.392 0.179 . 595 57 57 ASN CB C 37.833 0.179 . 596 57 57 ASN N N 119.607 0.132 . 597 57 57 ASN ND2 N 112.846 0.132 . 598 58 58 GLU H H 8.224 0.008 . 599 58 58 GLU HA H 3.361 0.008 . 600 58 58 GLU HB2 H -0.030 0.008 . 601 58 58 GLU HB3 H 0.315 0.008 . 602 58 58 GLU HG2 H 0.391 0.008 . 603 58 58 GLU HG3 H 0.350 0.008 . 604 58 58 GLU C C 179.522 0.179 . 605 58 58 GLU CA C 58.287 0.179 . 606 58 58 GLU CB C 27.532 0.179 . 607 58 58 GLU CG C 33.300 0.179 . 608 58 58 GLU N N 124.516 0.132 . 609 59 59 ARG H H 8.321 0.008 . 610 59 59 ARG HA H 4.140 0.008 . 611 59 59 ARG HB2 H 1.734 0.008 . 612 59 59 ARG HB3 H 2.122 0.008 . 613 59 59 ARG HG2 H 1.280 0.008 . 614 59 59 ARG HG3 H 1.280 0.008 . 615 59 59 ARG HD2 H 2.533 0.008 . 616 59 59 ARG HD3 H 2.712 0.008 . 617 59 59 ARG C C 178.813 0.179 . 618 59 59 ARG CA C 60.913 0.179 . 619 59 59 ARG CB C 31.691 0.179 . 620 59 59 ARG CG C 30.499 0.179 . 621 59 59 ARG CD C 43.703 0.179 . 622 59 59 ARG N N 118.692 0.132 . 623 60 60 ALA H H 7.484 0.008 . 624 60 60 ALA HA H 4.083 0.008 . 625 60 60 ALA HB H 1.436 0.008 . 626 60 60 ALA C C 179.753 0.179 . 627 60 60 ALA CA C 54.800 0.179 . 628 60 60 ALA CB C 17.898 0.179 . 629 60 60 ALA N N 120.662 0.132 . 630 61 61 LYS H H 7.433 0.008 . 631 61 61 LYS HA H 3.841 0.008 . 632 61 61 LYS HB2 H 1.650 0.008 . 633 61 61 LYS HB3 H 1.650 0.008 . 634 61 61 LYS HG2 H 1.030 0.008 . 635 61 61 LYS HG3 H 1.300 0.008 . 636 61 61 LYS HD2 H 1.374 0.008 . 637 61 61 LYS HD3 H 1.374 0.008 . 638 61 61 LYS HE2 H 2.574 0.008 . 639 61 61 LYS HE3 H 2.574 0.008 . 640 61 61 LYS C C 177.994 0.179 . 641 61 61 LYS CA C 58.772 0.179 . 642 61 61 LYS CB C 32.495 0.179 . 643 61 61 LYS CG C 24.696 0.179 . 644 61 61 LYS CD C 29.436 0.179 . 645 61 61 LYS CE C 41.822 0.179 . 646 61 61 LYS N N 118.620 0.132 . 647 62 62 TRP H H 8.003 0.008 . 648 62 62 TRP HA H 4.327 0.008 . 649 62 62 TRP HB2 H 3.323 0.008 . 650 62 62 TRP HB3 H 3.549 0.008 . 651 62 62 TRP HD1 H 7.341 0.008 . 652 62 62 TRP HE1 H 10.244 0.008 . 653 62 62 TRP HE3 H 7.642 0.008 . 654 62 62 TRP HZ2 H 7.443 0.008 . 655 62 62 TRP HZ3 H 7.076 0.008 . 656 62 62 TRP HH2 H 7.194 0.008 . 657 62 62 TRP C C 177.118 0.179 . 658 62 62 TRP CA C 59.336 0.179 . 659 62 62 TRP CB C 29.119 0.179 . 660 62 62 TRP CD1 C 124.772 0.179 . 661 62 62 TRP CE3 C 117.751 0.179 . 662 62 62 TRP CZ2 C 111.808 0.179 . 663 62 62 TRP CZ3 C 119.037 0.179 . 664 62 62 TRP CH2 C 121.731 0.179 . 665 62 62 TRP N N 120.517 0.132 . 666 62 62 TRP NE1 N 129.849 0.132 . 667 63 63 LYS H H 8.045 0.008 . 668 63 63 LYS HA H 3.795 0.008 . 669 63 63 LYS HB2 H 1.777 0.008 . 670 63 63 LYS HB3 H 1.777 0.008 . 671 63 63 LYS HG2 H 1.295 0.008 . 672 63 63 LYS HG3 H 1.496 0.008 . 673 63 63 LYS HD2 H 1.601 0.008 . 674 63 63 LYS HD3 H 1.601 0.008 . 675 63 63 LYS HE2 H 2.894 0.008 . 676 63 63 LYS HE3 H 2.894 0.008 . 677 63 63 LYS C C 177.429 0.179 . 678 63 63 LYS CA C 58.089 0.179 . 679 63 63 LYS CB C 32.745 0.179 . 680 63 63 LYS CG C 25.268 0.179 . 681 63 63 LYS CD C 29.251 0.179 . 682 63 63 LYS CE C 42.128 0.179 . 683 63 63 LYS N N 119.074 0.132 . 684 64 64 ARG H H 7.551 0.008 . 685 64 64 ARG HA H 4.084 0.008 . 686 64 64 ARG HB2 H 1.798 0.008 . 687 64 64 ARG HB3 H 1.798 0.008 . 688 64 64 ARG HG2 H 1.510 0.008 . 689 64 64 ARG HG3 H 1.636 0.008 . 690 64 64 ARG HD2 H 3.119 0.008 . 691 64 64 ARG HD3 H 3.119 0.008 . 692 64 64 ARG C C 177.231 0.179 . 693 64 64 ARG CA C 57.470 0.179 . 694 64 64 ARG CB C 30.278 0.179 . 695 64 64 ARG CG C 27.457 0.179 . 696 64 64 ARG CD C 43.354 0.179 . 697 64 64 ARG N N 118.825 0.132 . 698 65 65 ILE H H 7.797 0.008 . 699 65 65 ILE HA H 3.873 0.008 . 700 65 65 ILE HB H 1.769 0.008 . 701 65 65 ILE HG12 H 1.062 0.008 . 702 65 65 ILE HG13 H 1.438 0.008 . 703 65 65 ILE HG2 H 0.788 0.008 . 704 65 65 ILE HD1 H 0.660 0.008 . 705 65 65 ILE C C 177.198 0.179 . 706 65 65 ILE CA C 62.392 0.179 . 707 65 65 ILE CB C 38.398 0.179 . 708 65 65 ILE CG1 C 27.978 0.179 . 709 65 65 ILE CG2 C 17.325 0.179 . 710 65 65 ILE CD1 C 13.014 0.179 . 711 65 65 ILE N N 120.523 0.132 . 712 66 66 LYS H H 8.084 0.008 . 713 66 66 LYS HA H 4.073 0.008 . 714 66 66 LYS HB2 H 1.562 0.008 . 715 66 66 LYS HB3 H 1.629 0.008 . 716 66 66 LYS HG2 H 1.207 0.008 . 717 66 66 LYS HG3 H 1.207 0.008 . 718 66 66 LYS HD2 H 1.459 0.008 . 719 66 66 LYS HD3 H 1.459 0.008 . 720 66 66 LYS HE2 H 2.768 0.008 . 721 66 66 LYS HE3 H 2.825 0.008 . 722 66 66 LYS C C 176.387 0.179 . 723 66 66 LYS CA C 56.625 0.179 . 724 66 66 LYS CB C 32.364 0.179 . 725 66 66 LYS CG C 24.449 0.179 . 726 66 66 LYS CD C 28.867 0.179 . 727 66 66 LYS CE C 42.006 0.179 . 728 66 66 LYS N N 123.201 0.132 . 729 67 67 ALA H H 7.900 0.008 . 730 67 67 ALA HA H 4.202 0.008 . 731 67 67 ALA HB H 1.332 0.008 . 732 67 67 ALA C C 177.870 0.179 . 733 67 67 ALA CA C 52.583 0.179 . 734 67 67 ALA CB C 19.086 0.179 . 735 67 67 ALA N N 123.500 0.132 . 736 68 68 GLY H H 8.076 0.008 . 737 68 68 GLY HA2 H 3.840 0.008 . 738 68 68 GLY HA3 H 3.840 0.008 . 739 68 68 GLY C C 173.688 0.179 . 740 68 68 GLY CA C 45.348 0.179 . 741 68 68 GLY N N 107.120 0.132 . 742 69 69 ASN H H 8.155 0.008 . 743 69 69 ASN HA H 4.683 0.008 . 744 69 69 ASN HB2 H 2.651 0.008 . 745 69 69 ASN HB3 H 2.760 0.008 . 746 69 69 ASN HD21 H 7.488 0.008 . 747 69 69 ASN HD22 H 6.825 0.008 . 748 69 69 ASN C C 174.792 0.179 . 749 69 69 ASN CA C 53.009 0.179 . 750 69 69 ASN CB C 39.064 0.179 . 751 69 69 ASN N N 118.671 0.132 . 752 69 69 ASN ND2 N 112.735 0.132 . 753 70 70 VAL H H 8.022 0.008 . 754 70 70 VAL HA H 4.130 0.008 . 755 70 70 VAL HB H 2.071 0.008 . 756 70 70 VAL HG1 H 0.839 0.008 . 757 70 70 VAL HG2 H 0.857 0.008 . 758 70 70 VAL C C 175.126 0.179 . 759 70 70 VAL CA C 62.091 0.179 . 760 70 70 VAL CB C 32.863 0.179 . 761 70 70 VAL CG1 C 20.166 0.179 . 762 70 70 VAL CG2 C 21.336 0.179 . 763 70 70 VAL N N 119.480 0.132 . 764 71 71 SER H H 7.883 0.008 . 765 71 71 SER HA H 4.180 0.008 . 766 71 71 SER CA C 59.832 0.179 . 767 71 71 SER CB C 62.098 0.179 . 768 71 71 SER N N 124.511 0.132 . stop_ save_