data_18944 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of the homeodomain transcription factor Gbx1 from Homo sapiens ; _BMRB_accession_number 18944 _BMRB_flat_file_name bmr18944.str _Entry_type original _Submission_date 2013-01-09 _Accession_date 2013-01-09 _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 . . 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" 430 "13C chemical shifts" 245 "15N chemical shifts" 74 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-20 update author 'update entry citation' 2013-02-01 original author 'original release' stop_ _Original_release_date 2016-10-20 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 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Gbx1 $Gbx1 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_Gbx1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Gbx1 _Molecular_mass 8346.782 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 71 _Mol_residue_sequence ; SAPGGKSRRRRTAFTSEQLL ELEKEFHCKKYLSLTERSQI AHALKLSEVQVKIWFQNRRA KWKRIKAGNVS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 SER 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 GLU 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 ARG 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 $Gbx1 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 _Vector_name $Gbx1 'recombinant technology' . Escherichia coli . PET46 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 $Gbx1 0.8 mM '[U-98% 13C; U-98% 15N]' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 5 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'G ntert P.' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_UNIO _Saveframe_category software _Name UNIO _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'structure solution' stop_ _Details . save_ save_Opalp _Saveframe_category software _Name Opalp _Version . loop_ _Vendor _Address _Electronic_address 'Luginbuhl, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 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_1H-13C_NOESY_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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_APSY_4D-HACANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 4D-HACANH' _Sample_label $sample_1 save_ save_APSY_5D-CBCACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 5D-CBCACONH' _Sample_label $sample_1 save_ save_APSY_5D-HACACONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 5D-HACACONH' _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' 0.220 . M pH 6.5 . pH pressure 1 . atm temperature 298 . 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 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D 1H-15N NOESY' 'APSY 4D-HACANH' 'APSY 5D-CBCACONH' 'APSY 5D-HACACONH' 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 Gbx1 _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 4.440 0.023 1 2 3 3 PRO HB2 H 2.041 0.023 1 3 3 3 PRO HB3 H 2.041 0.023 1 4 3 3 PRO HG2 H 2.019 0.023 1 5 3 3 PRO HG3 H 2.019 0.023 1 6 3 3 PRO HD2 H 3.677 0.023 1 7 3 3 PRO HD3 H 3.836 0.023 1 8 3 3 PRO CA C 63.301 0.141 1 9 3 3 PRO CB C 31.870 0.141 1 10 3 3 PRO CD C 50.364 0.141 1 11 4 4 GLY H H 8.536 0.023 1 12 4 4 GLY HA2 H 3.979 0.023 1 13 4 4 GLY HA3 H 3.979 0.023 1 14 4 4 GLY CA C 45.244 0.141 1 15 4 4 GLY N N 109.613 0.102 1 16 5 5 GLY H H 8.298 0.023 1 17 5 5 GLY HA2 H 3.986 0.023 1 18 5 5 GLY HA3 H 3.986 0.023 1 19 5 5 GLY CA C 45.252 0.141 1 20 5 5 GLY N N 108.797 0.102 1 21 6 6 LYS H H 8.313 0.023 1 22 6 6 LYS HA H 3.947 0.023 1 23 6 6 LYS HB2 H 1.777 0.023 1 24 6 6 LYS HB3 H 1.777 0.023 1 25 6 6 LYS CA C 57.258 0.141 1 26 6 6 LYS CB C 32.910 0.141 1 27 6 6 LYS N N 120.988 0.102 1 28 7 7 SER H H 8.345 0.023 1 29 7 7 SER HA H 4.420 0.023 1 30 7 7 SER HB2 H 3.859 0.023 1 31 7 7 SER HB3 H 3.887 0.023 1 32 7 7 SER CA C 58.338 0.141 1 33 7 7 SER CB C 63.540 0.141 1 34 7 7 SER N N 116.912 0.102 1 35 8 8 ARG H H 8.410 0.023 1 36 8 8 ARG HA H 4.339 0.023 1 37 8 8 ARG HB2 H 1.850 0.023 1 38 8 8 ARG HB3 H 1.850 0.023 1 39 8 8 ARG HD2 H 3.202 0.023 1 40 8 8 ARG HD3 H 3.202 0.023 1 41 8 8 ARG CA C 56.038 0.141 1 42 8 8 ARG CB C 30.596 0.141 1 43 8 8 ARG CD C 43.307 0.141 1 44 8 8 ARG N N 123.496 0.102 1 45 9 9 ARG H H 8.340 0.023 1 46 9 9 ARG HA H 4.308 0.023 1 47 9 9 ARG HB2 H 1.616 0.023 1 48 9 9 ARG HB3 H 1.661 0.023 1 49 9 9 ARG HG2 H 1.654 0.023 1 50 9 9 ARG HG3 H 1.654 0.023 1 51 9 9 ARG HD2 H 3.195 0.023 1 52 9 9 ARG HD3 H 3.195 0.023 1 53 9 9 ARG CA C 55.979 0.141 1 54 9 9 ARG CB C 30.700 0.141 1 55 9 9 ARG CG C 27.227 0.141 1 56 9 9 ARG CD C 43.377 0.141 1 57 9 9 ARG N N 122.569 0.102 1 58 10 10 ARG H H 8.457 0.023 1 59 10 10 ARG HA H 4.328 0.023 1 60 10 10 ARG HB2 H 1.765 0.023 1 61 10 10 ARG HB3 H 1.834 0.023 1 62 10 10 ARG CA C 55.926 0.141 1 63 10 10 ARG CB C 30.821 0.141 1 64 10 10 ARG N N 123.464 0.102 1 65 11 11 ARG H H 8.540 0.023 1 66 11 11 ARG HA H 4.389 0.023 1 67 11 11 ARG HB2 H 1.765 0.023 1 68 11 11 ARG HB3 H 1.834 0.023 1 69 11 11 ARG CA C 55.969 0.141 1 70 11 11 ARG CB C 30.839 0.141 1 71 11 11 ARG N N 123.477 0.102 1 72 12 12 THR H H 8.249 0.023 1 73 12 12 THR HA H 4.289 0.023 1 74 12 12 THR HB H 4.154 0.023 1 75 12 12 THR HG2 H 1.133 0.023 1 76 12 12 THR CA C 61.393 0.141 1 77 12 12 THR CB C 69.660 0.141 1 78 12 12 THR CG2 C 21.606 0.141 1 79 12 12 THR N N 116.338 0.102 1 80 13 13 ALA H H 8.275 0.023 1 81 13 13 ALA HA H 4.305 0.023 1 82 13 13 ALA HB H 1.279 0.023 1 83 13 13 ALA CA C 52.024 0.141 1 84 13 13 ALA CB C 19.654 0.141 1 85 13 13 ALA N N 127.182 0.102 1 86 14 14 PHE H H 8.060 0.023 1 87 14 14 PHE HA H 4.963 0.023 1 88 14 14 PHE HB2 H 2.827 0.023 1 89 14 14 PHE HB3 H 3.192 0.023 1 90 14 14 PHE HD1 H 7.144 0.023 1 91 14 14 PHE HD2 H 7.262 0.023 1 92 14 14 PHE HE1 H 7.443 0.023 1 93 14 14 PHE HE2 H 7.443 0.023 1 94 14 14 PHE CA C 56.258 0.141 1 95 14 14 PHE CB C 40.719 0.141 1 96 14 14 PHE CD1 C 131.322 0.141 1 97 14 14 PHE CD2 C 131.322 0.141 1 98 14 14 PHE CE1 C 129.219 0.141 1 99 14 14 PHE CE2 C 129.219 0.141 1 100 14 14 PHE N N 118.661 0.102 1 101 15 15 THR H H 9.139 0.023 1 102 15 15 THR HA H 4.522 0.023 1 103 15 15 THR HB H 4.808 0.023 1 104 15 15 THR HG2 H 1.305 0.023 1 105 15 15 THR CA C 60.272 0.141 1 106 15 15 THR CB C 70.919 0.141 1 107 15 15 THR CG2 C 21.777 0.141 1 108 15 15 THR N N 113.672 0.102 1 109 16 16 SER H H 9.094 0.023 1 110 16 16 SER HA H 3.934 0.023 1 111 16 16 SER HB2 H 4.134 0.023 1 112 16 16 SER HB3 H 4.134 0.023 1 113 16 16 SER CA C 62.071 0.141 1 114 16 16 SER CB C 61.814 0.141 1 115 16 16 SER N N 116.722 0.102 1 116 17 17 GLU H H 8.673 0.023 1 117 17 17 GLU HA H 4.022 0.023 1 118 17 17 GLU HB2 H 1.959 0.023 1 119 17 17 GLU HB3 H 2.067 0.023 1 120 17 17 GLU HG2 H 2.363 0.023 1 121 17 17 GLU HG3 H 2.291 0.023 1 122 17 17 GLU CA C 60.127 0.141 1 123 17 17 GLU CB C 29.108 0.141 1 124 17 17 GLU CG C 36.714 0.141 1 125 17 17 GLU N N 120.784 0.102 1 126 18 18 GLN H H 7.748 0.023 1 127 18 18 GLN HA H 3.809 0.023 1 128 18 18 GLN HB2 H 2.632 0.023 1 129 18 18 GLN HB3 H 1.534 0.023 1 130 18 18 GLN HG2 H 2.645 0.023 1 131 18 18 GLN HG3 H 2.341 0.023 1 132 18 18 GLN HE21 H 6.569 0.023 1 133 18 18 GLN HE22 H 7.673 0.023 1 134 18 18 GLN CA C 58.961 0.141 1 135 18 18 GLN CB C 27.980 0.141 1 136 18 18 GLN CG C 34.931 0.141 1 137 18 18 GLN N N 118.707 0.102 1 138 18 18 GLN NE2 N 111.082 0.102 1 139 19 19 LEU H H 8.109 0.023 1 140 19 19 LEU HA H 3.629 0.023 1 141 19 19 LEU HB2 H 1.838 0.023 1 142 19 19 LEU HB3 H 1.524 0.023 1 143 19 19 LEU HG H 1.718 0.023 1 144 19 19 LEU HD1 H 0.778 0.023 1 145 19 19 LEU HD2 H 0.921 0.023 1 146 19 19 LEU CA C 57.795 0.141 1 147 19 19 LEU CB C 41.611 0.141 1 148 19 19 LEU CG C 26.951 0.141 1 149 19 19 LEU CD1 C 23.407 0.141 1 150 19 19 LEU CD2 C 25.322 0.141 1 151 19 19 LEU N N 117.129 0.102 1 152 20 20 LEU H H 7.948 0.023 1 153 20 20 LEU HA H 4.002 0.023 1 154 20 20 LEU HB2 H 1.621 0.023 1 155 20 20 LEU HB3 H 1.834 0.023 1 156 20 20 LEU HG H 1.715 0.023 1 157 20 20 LEU HD1 H 0.892 0.023 1 158 20 20 LEU HD2 H 0.878 0.023 1 159 20 20 LEU CA C 58.003 0.141 1 160 20 20 LEU CB C 41.958 0.141 1 161 20 20 LEU CG C 26.932 0.141 1 162 20 20 LEU CD1 C 24.933 0.141 1 163 20 20 LEU CD2 C 23.974 0.141 1 164 20 20 LEU N N 119.459 0.102 1 165 21 21 GLU H H 7.564 0.023 1 166 21 21 GLU HA H 4.086 0.023 1 167 21 21 GLU HB2 H 1.984 0.023 1 168 21 21 GLU HB3 H 2.082 0.023 1 169 21 21 GLU HG2 H 2.428 0.023 1 170 21 21 GLU HG3 H 2.297 0.023 1 171 21 21 GLU CA C 58.430 0.141 1 172 21 21 GLU CB C 29.672 0.141 1 173 21 21 GLU CG C 35.114 0.141 1 174 21 21 GLU N N 118.593 0.102 1 175 22 22 LEU H H 8.148 0.023 1 176 22 22 LEU HA H 3.516 0.023 1 177 22 22 LEU HB2 H 0.560 0.023 1 178 22 22 LEU HB3 H -0.936 0.023 1 179 22 22 LEU HG H 0.439 0.023 1 180 22 22 LEU HD1 H -0.525 0.023 1 181 22 22 LEU HD2 H 1.120 0.023 1 182 22 22 LEU CA C 58.229 0.141 1 183 22 22 LEU CB C 37.996 0.141 1 184 22 22 LEU CG C 22.589 0.141 1 185 22 22 LEU CD1 C 24.059 0.141 1 186 22 22 LEU CD2 C 25.939 0.141 1 187 22 22 LEU N N 122.405 0.102 1 188 23 23 GLU H H 7.853 0.023 1 189 23 23 GLU HA H 4.282 0.023 1 190 23 23 GLU HB2 H 2.150 0.023 1 191 23 23 GLU HB3 H 2.032 0.023 1 192 23 23 GLU HG2 H 2.565 0.023 1 193 23 23 GLU HG3 H 2.332 0.023 1 194 23 23 GLU CA C 58.816 0.141 1 195 23 23 GLU CB C 28.954 0.141 1 196 23 23 GLU CG C 34.574 0.141 1 197 23 23 GLU N N 118.202 0.102 1 198 24 24 LYS H H 7.828 0.023 1 199 24 24 LYS HA H 4.026 0.023 1 200 24 24 LYS HB2 H 1.985 0.023 1 201 24 24 LYS HB3 H 1.985 0.023 1 202 24 24 LYS HG2 H 1.650 0.023 1 203 24 24 LYS HG3 H 1.372 0.023 1 204 24 24 LYS HD2 H 1.680 0.023 1 205 24 24 LYS HD3 H 1.680 0.023 1 206 24 24 LYS HE2 H 2.990 0.023 1 207 24 24 LYS HE3 H 2.990 0.023 1 208 24 24 LYS CA C 59.854 0.141 1 209 24 24 LYS CB C 32.290 0.141 1 210 24 24 LYS CG C 24.936 0.141 1 211 24 24 LYS CD C 29.657 0.141 1 212 24 24 LYS CE C 42.154 0.141 1 213 24 24 LYS N N 120.955 0.102 1 214 25 25 GLU H H 8.153 0.023 1 215 25 25 GLU HA H 4.259 0.023 1 216 25 25 GLU HB2 H 2.317 0.023 1 217 25 25 GLU HB3 H 2.317 0.023 1 218 25 25 GLU HG2 H 2.574 0.023 1 219 25 25 GLU HG3 H 2.574 0.023 1 220 25 25 GLU CA C 58.720 0.141 1 221 25 25 GLU CB C 28.575 0.141 1 222 25 25 GLU CG C 34.333 0.141 1 223 25 25 GLU N N 120.791 0.102 1 224 26 26 PHE H H 7.404 0.023 1 225 26 26 PHE HA H 4.492 0.023 1 226 26 26 PHE HB2 H 3.252 0.023 1 227 26 26 PHE HB3 H 3.199 0.023 1 228 26 26 PHE HD1 H 6.955 0.023 1 229 26 26 PHE HD2 H 6.955 0.023 1 230 26 26 PHE HE1 H 6.859 0.023 1 231 26 26 PHE HE2 H 6.859 0.023 1 232 26 26 PHE HZ H 6.441 0.023 1 233 26 26 PHE CA C 56.446 0.141 1 234 26 26 PHE CB C 41.822 0.141 1 235 26 26 PHE CD2 C 132.463 0.141 1 236 26 26 PHE CE1 C 130.174 0.141 1 237 26 26 PHE CZ C 128.555 0.141 1 238 26 26 PHE N N 115.094 0.102 1 239 27 27 HIS H H 8.057 0.023 1 240 27 27 HIS HA H 4.053 0.023 1 241 27 27 HIS HB2 H 3.313 0.023 1 242 27 27 HIS HB3 H 3.313 0.023 1 243 27 27 HIS HD2 H 7.267 0.023 1 244 27 27 HIS CA C 58.490 0.141 1 245 27 27 HIS CB C 28.830 0.141 1 246 27 27 HIS CD2 C 120.275 0.141 1 247 27 27 HIS N N 115.592 0.102 1 248 28 28 CYS H H 7.972 0.023 1 249 28 28 CYS HA H 4.025 0.023 1 250 28 28 CYS HB2 H 3.136 0.023 1 251 28 28 CYS HB3 H 3.136 0.023 1 252 28 28 CYS CA C 58.623 0.141 1 253 28 28 CYS CB C 29.921 0.141 1 254 28 28 CYS N N 116.364 0.102 1 255 29 29 LYS H H 8.521 0.023 1 256 29 29 LYS HA H 4.300 0.023 1 257 29 29 LYS HB2 H 1.649 0.023 1 258 29 29 LYS HB3 H 1.743 0.023 1 259 29 29 LYS HG2 H 1.362 0.023 1 260 29 29 LYS HG3 H 1.362 0.023 1 261 29 29 LYS CA C 56.241 0.141 1 262 29 29 LYS CB C 35.189 0.141 1 263 29 29 LYS CG C 24.928 0.141 1 264 29 29 LYS N N 122.054 0.102 1 265 30 30 LYS H H 7.830 0.023 1 266 30 30 LYS HA H 3.703 0.023 1 267 30 30 LYS HB2 H 1.458 0.023 1 268 30 30 LYS HB3 H 0.946 0.023 1 269 30 30 LYS HG2 H 0.344 0.023 1 270 30 30 LYS HG3 H 0.664 0.023 1 271 30 30 LYS HD2 H -0.180 0.023 1 272 30 30 LYS HD3 H -0.065 0.023 1 273 30 30 LYS HE2 H 1.962 0.023 1 274 30 30 LYS HE3 H 1.686 0.023 1 275 30 30 LYS CA C 55.817 0.141 1 276 30 30 LYS CB C 32.454 0.141 1 277 30 30 LYS CG C 23.938 0.141 1 278 30 30 LYS CD C 27.508 0.141 1 279 30 30 LYS CE C 41.460 0.141 1 280 30 30 LYS N N 118.250 0.102 1 281 31 31 TYR H H 7.294 0.023 1 282 31 31 TYR HA H 4.480 0.023 1 283 31 31 TYR HB2 H 2.921 0.023 1 284 31 31 TYR HB3 H 2.659 0.023 1 285 31 31 TYR HD1 H 7.108 0.023 1 286 31 31 TYR HD2 H 7.108 0.023 1 287 31 31 TYR HE1 H 6.867 0.023 1 288 31 31 TYR HE2 H 6.867 0.023 1 289 31 31 TYR CA C 56.372 0.141 1 290 31 31 TYR CB C 41.159 0.141 1 291 31 31 TYR CD1 C 133.515 0.141 1 292 31 31 TYR CD2 C 133.515 0.141 1 293 31 31 TYR CE1 C 117.962 0.141 1 294 31 31 TYR CE2 C 117.930 0.141 1 295 31 31 TYR N N 112.854 0.102 1 296 32 32 LEU H H 8.426 0.023 1 297 32 32 LEU HA H 4.710 0.023 1 298 32 32 LEU HB2 H 1.315 0.023 1 299 32 32 LEU HB3 H 1.523 0.023 1 300 32 32 LEU HG H 0.655 0.023 1 301 32 32 LEU HD1 H 0.431 0.023 1 302 32 32 LEU HD2 H 0.056 0.023 1 303 32 32 LEU CA C 52.902 0.141 1 304 32 32 LEU CB C 44.626 0.141 1 305 32 32 LEU CG C 26.529 0.141 1 306 32 32 LEU CD1 C 22.636 0.141 1 307 32 32 LEU CD2 C 26.442 0.141 1 308 32 32 LEU N N 122.615 0.102 1 309 33 33 SER H H 9.322 0.023 1 310 33 33 SER HA H 4.583 0.023 1 311 33 33 SER HB2 H 3.966 0.023 1 312 33 33 SER HB3 H 4.397 0.023 1 313 33 33 SER CA C 56.483 0.141 1 314 33 33 SER CB C 65.258 0.141 1 315 33 33 SER N N 119.224 0.102 1 316 34 34 LEU H H 8.808 0.023 1 317 34 34 LEU HA H 3.977 0.023 1 318 34 34 LEU HB2 H 1.681 0.023 1 319 34 34 LEU HB3 H 1.761 0.023 1 320 34 34 LEU HG H 1.698 0.023 1 321 34 34 LEU HD1 H 0.945 0.023 1 322 34 34 LEU HD2 H 0.908 0.023 1 323 34 34 LEU CA C 58.871 0.141 1 324 34 34 LEU CB C 41.363 0.141 1 325 34 34 LEU CG C 27.310 0.141 1 326 34 34 LEU CD1 C 24.485 0.141 1 327 34 34 LEU CD2 C 24.000 0.141 1 328 34 34 LEU N N 121.601 0.102 1 329 35 35 THR H H 8.104 0.023 1 330 35 35 THR HA H 3.944 0.023 1 331 35 35 THR HB H 4.028 0.023 1 332 35 35 THR HG2 H 1.213 0.023 1 333 35 35 THR CA C 65.721 0.141 1 334 35 35 THR CB C 68.367 0.141 1 335 35 35 THR CG2 C 21.836 0.141 1 336 35 35 THR N N 113.816 0.102 1 337 36 36 GLU H H 7.691 0.023 1 338 36 36 GLU HA H 3.977 0.023 1 339 36 36 GLU HB2 H 1.846 0.023 1 340 36 36 GLU HB3 H 2.249 0.023 1 341 36 36 GLU HG2 H 2.246 0.023 1 342 36 36 GLU HG3 H 2.246 0.023 1 343 36 36 GLU CA C 58.878 0.141 1 344 36 36 GLU CB C 30.407 0.141 1 345 36 36 GLU CG C 37.131 0.141 1 346 36 36 GLU N N 123.125 0.102 1 347 37 37 ARG H H 8.726 0.023 1 348 37 37 ARG HA H 3.756 0.023 1 349 37 37 ARG HB2 H 1.859 0.023 1 350 37 37 ARG HB3 H 1.859 0.023 1 351 37 37 ARG HG2 H 1.341 0.023 1 352 37 37 ARG HG3 H 1.654 0.023 1 353 37 37 ARG HD2 H 3.518 0.023 1 354 37 37 ARG HD3 H 3.165 0.023 1 355 37 37 ARG CA C 60.021 0.141 1 356 37 37 ARG CB C 30.855 0.141 1 357 37 37 ARG CG C 27.792 0.141 1 358 37 37 ARG CD C 43.883 0.141 1 359 37 37 ARG N N 119.258 0.102 1 360 38 38 SER H H 8.039 0.023 1 361 38 38 SER HA H 4.073 0.023 1 362 38 38 SER HB2 H 3.956 0.023 1 363 38 38 SER HB3 H 4.006 0.023 1 364 38 38 SER CA C 61.865 0.141 1 365 38 38 SER CB C 62.685 0.141 1 366 38 38 SER N N 113.573 0.102 1 367 39 39 GLN H H 8.033 0.023 1 368 39 39 GLN HA H 4.115 0.023 1 369 39 39 GLN HB2 H 2.150 0.023 1 370 39 39 GLN HB3 H 2.241 0.023 1 371 39 39 GLN HG2 H 2.548 0.023 1 372 39 39 GLN HG3 H 2.410 0.023 1 373 39 39 GLN HE21 H 6.822 0.023 1 374 39 39 GLN HE22 H 7.443 0.023 1 375 39 39 GLN CA C 59.085 0.141 1 376 39 39 GLN CB C 28.167 0.141 1 377 39 39 GLN CG C 33.921 0.141 1 378 39 39 GLN N N 121.912 0.102 1 379 39 39 GLN NE2 N 111.416 0.102 1 380 40 40 ILE H H 8.205 0.023 1 381 40 40 ILE HA H 3.879 0.023 1 382 40 40 ILE HB H 1.746 0.023 1 383 40 40 ILE HG12 H 1.686 0.023 1 384 40 40 ILE HG13 H 1.072 0.023 1 385 40 40 ILE HG2 H 0.864 0.023 1 386 40 40 ILE HD1 H 0.744 0.023 1 387 40 40 ILE CA C 64.361 0.141 1 388 40 40 ILE CB C 38.129 0.141 1 389 40 40 ILE CG1 C 29.709 0.141 1 390 40 40 ILE CG2 C 17.906 0.141 1 391 40 40 ILE CD1 C 14.301 0.141 1 392 40 40 ILE N N 121.716 0.102 1 393 41 41 ALA H H 8.301 0.023 1 394 41 41 ALA HA H 3.663 0.023 1 395 41 41 ALA HB H 1.396 0.023 1 396 41 41 ALA CA C 55.947 0.141 1 397 41 41 ALA CB C 17.516 0.141 1 398 41 41 ALA N N 122.005 0.102 1 399 42 42 HIS H H 8.091 0.023 1 400 42 42 HIS HA H 4.394 0.023 1 401 42 42 HIS HB2 H 3.313 0.023 1 402 42 42 HIS HB3 H 3.313 0.023 1 403 42 42 HIS HD2 H 7.295 0.023 1 404 42 42 HIS CA C 58.649 0.141 1 405 42 42 HIS CB C 28.871 0.141 1 406 42 42 HIS CD2 C 120.100 0.141 1 407 42 42 HIS N N 114.193 0.102 1 408 43 43 ALA H H 8.167 0.023 1 409 43 43 ALA HA H 4.066 0.023 1 410 43 43 ALA HB H 1.536 0.023 1 411 43 43 ALA CA C 54.856 0.141 1 412 43 43 ALA CB C 18.317 0.141 1 413 43 43 ALA N N 122.121 0.102 1 414 44 44 LEU H H 8.037 0.023 1 415 44 44 LEU HA H 4.327 0.023 1 416 44 44 LEU HB2 H 1.602 0.023 1 417 44 44 LEU HB3 H 1.451 0.023 1 418 44 44 LEU HG H 1.946 0.023 1 419 44 44 LEU HD1 H 0.746 0.023 1 420 44 44 LEU HD2 H 0.702 0.023 1 421 44 44 LEU CA C 54.171 0.141 1 422 44 44 LEU CB C 42.472 0.141 1 423 44 44 LEU CG C 26.828 0.141 1 424 44 44 LEU CD1 C 22.721 0.141 1 425 44 44 LEU CD2 C 26.333 0.141 1 426 44 44 LEU N N 114.117 0.102 1 427 45 45 LYS H H 7.806 0.023 1 428 45 45 LYS HA H 3.948 0.023 1 429 45 45 LYS HB2 H 1.841 0.023 1 430 45 45 LYS HB3 H 2.155 0.023 1 431 45 45 LYS HG2 H 1.320 0.023 1 432 45 45 LYS HG3 H 1.320 0.023 1 433 45 45 LYS HE2 H 2.988 0.023 1 434 45 45 LYS HE3 H 2.988 0.023 1 435 45 45 LYS CA C 57.214 0.141 1 436 45 45 LYS CB C 28.359 0.141 1 437 45 45 LYS CG C 24.979 0.141 1 438 45 45 LYS CD C 29.285 0.141 1 439 45 45 LYS CE C 42.337 0.141 1 440 45 45 LYS N N 117.081 0.102 1 441 46 46 LEU H H 8.393 0.023 1 442 46 46 LEU HA H 4.779 0.023 1 443 46 46 LEU HB2 H 1.582 0.023 1 444 46 46 LEU HB3 H 1.237 0.023 1 445 46 46 LEU HG H 1.458 0.023 1 446 46 46 LEU HD1 H 0.746 0.023 1 447 46 46 LEU HD2 H 0.557 0.023 1 448 46 46 LEU CA C 52.375 0.141 1 449 46 46 LEU CB C 47.430 0.141 1 450 46 46 LEU CG C 26.337 0.141 1 451 46 46 LEU CD1 C 23.692 0.141 1 452 46 46 LEU CD2 C 27.139 0.141 1 453 46 46 LEU N N 119.781 0.102 1 454 47 47 SER H H 8.817 0.023 1 455 47 47 SER HA H 4.772 0.023 1 456 47 47 SER HB2 H 4.351 0.023 1 457 47 47 SER HB3 H 3.970 0.023 1 458 47 47 SER CA C 56.659 0.141 1 459 47 47 SER CB C 64.905 0.141 1 460 47 47 SER N N 114.982 0.102 1 461 48 48 GLU H H 9.232 0.023 1 462 48 48 GLU HA H 3.663 0.023 1 463 48 48 GLU HB2 H 2.041 0.023 1 464 48 48 GLU HB3 H 2.041 0.023 1 465 48 48 GLU HG2 H 2.109 0.023 1 466 48 48 GLU HG3 H 2.398 0.023 1 467 48 48 GLU CA C 61.142 0.141 1 468 48 48 GLU CB C 28.993 0.141 1 469 48 48 GLU CG C 37.612 0.141 1 470 48 48 GLU N N 122.917 0.102 1 471 49 49 VAL H H 8.015 0.023 1 472 49 49 VAL HA H 3.770 0.023 1 473 49 49 VAL HB H 2.050 0.023 1 474 49 49 VAL HG1 H 1.005 0.023 1 475 49 49 VAL HG2 H 1.096 0.023 1 476 49 49 VAL CA C 65.693 0.141 1 477 49 49 VAL CB C 31.820 0.141 1 478 49 49 VAL CG1 C 20.898 0.141 1 479 49 49 VAL CG2 C 22.862 0.141 1 480 49 49 VAL N N 118.250 0.102 1 481 50 50 GLN H H 7.714 0.023 1 482 50 50 GLN HA H 4.155 0.023 1 483 50 50 GLN HB2 H 2.070 0.023 1 484 50 50 GLN HB3 H 2.625 0.023 1 485 50 50 GLN HG2 H 2.461 0.023 1 486 50 50 GLN HG3 H 2.506 0.023 1 487 50 50 GLN HE21 H 6.875 0.023 1 488 50 50 GLN HE22 H 7.325 0.023 1 489 50 50 GLN CA C 59.241 0.141 1 490 50 50 GLN CB C 29.517 0.141 1 491 50 50 GLN CG C 35.636 0.141 1 492 50 50 GLN NE2 N 112.717 0.102 1 493 51 51 VAL H H 7.705 0.023 1 494 51 51 VAL HA H 3.693 0.023 1 495 51 51 VAL HB H 2.221 0.023 1 496 51 51 VAL HG1 H 1.012 0.023 1 497 51 51 VAL HG2 H 0.979 0.023 1 498 51 51 VAL CA C 67.404 0.141 1 499 51 51 VAL CB C 32.193 0.141 1 500 51 51 VAL CG1 C 22.545 0.141 1 501 51 51 VAL CG2 C 23.710 0.141 1 502 51 51 VAL N N 119.155 0.102 1 503 52 52 LYS H H 8.545 0.023 1 504 52 52 LYS HA H 4.273 0.023 1 505 52 52 LYS HB2 H 2.233 0.023 1 506 52 52 LYS HB3 H 1.867 0.023 1 507 52 52 LYS HG2 H 1.319 0.023 1 508 52 52 LYS HG3 H 1.585 0.023 1 509 52 52 LYS HD2 H 1.695 0.023 1 510 52 52 LYS HD3 H 1.765 0.023 1 511 52 52 LYS HE2 H 2.989 0.023 1 512 52 52 LYS HE3 H 2.989 0.023 1 513 52 52 LYS CA C 59.846 0.141 1 514 52 52 LYS CB C 33.195 0.141 1 515 52 52 LYS CG C 24.871 0.141 1 516 52 52 LYS CD C 29.850 0.141 1 517 52 52 LYS CE C 42.174 0.141 1 518 52 52 LYS N N 121.165 0.102 1 519 53 53 ILE H H 8.733 0.023 1 520 53 53 ILE HA H 3.829 0.023 1 521 53 53 ILE HB H 2.068 0.023 1 522 53 53 ILE HG12 H 1.783 0.023 1 523 53 53 ILE HG13 H 1.327 0.023 1 524 53 53 ILE HG2 H 1.001 0.023 1 525 53 53 ILE HD1 H 0.872 0.023 1 526 53 53 ILE CA C 64.231 0.141 1 527 53 53 ILE CB C 37.978 0.141 1 528 53 53 ILE CG1 C 29.185 0.141 1 529 53 53 ILE CG2 C 17.405 0.141 1 530 53 53 ILE CD1 C 12.817 0.141 1 531 53 53 ILE N N 120.436 0.102 1 532 54 54 TRP H H 8.522 0.023 1 533 54 54 TRP HA H 4.014 0.023 1 534 54 54 TRP HB2 H 3.376 0.023 1 535 54 54 TRP HB3 H 3.501 0.023 1 536 54 54 TRP HD1 H 6.725 0.023 1 537 54 54 TRP HE1 H 9.264 0.023 1 538 54 54 TRP HE3 H 6.946 0.023 1 539 54 54 TRP HZ2 H 7.215 0.023 1 540 54 54 TRP HZ3 H 5.668 0.023 1 541 54 54 TRP HH2 H 6.411 0.023 1 542 54 54 TRP CA C 63.402 0.141 1 543 54 54 TRP CB C 28.857 0.141 1 544 54 54 TRP CD1 C 126.770 0.141 1 545 54 54 TRP CE3 C 121.239 0.141 1 546 54 54 TRP CZ2 C 113.906 0.141 1 547 54 54 TRP CZ3 C 121.171 0.141 1 548 54 54 TRP CH2 C 123.736 0.141 1 549 54 54 TRP N N 122.076 0.102 1 550 54 54 TRP NE1 N 128.354 0.102 1 551 55 55 PHE H H 9.087 0.023 1 552 55 55 PHE HA H 3.718 0.023 1 553 55 55 PHE HB2 H 3.551 0.023 1 554 55 55 PHE HB3 H 3.253 0.023 1 555 55 55 PHE HD1 H 7.684 0.023 1 556 55 55 PHE HD2 H 7.684 0.023 1 557 55 55 PHE HE1 H 7.207 0.023 1 558 55 55 PHE HE2 H 7.570 0.023 1 559 55 55 PHE CA C 63.373 0.141 1 560 55 55 PHE CB C 39.325 0.141 1 561 55 55 PHE CD1 C 131.534 0.141 1 562 55 55 PHE CD2 C 131.534 0.141 1 563 55 55 PHE CE1 C 132.220 0.141 1 564 55 55 PHE CE2 C 129.435 0.141 1 565 55 55 PHE N N 119.314 0.102 1 566 56 56 GLN H H 8.148 0.023 1 567 56 56 GLN HA H 3.995 0.023 1 568 56 56 GLN HB2 H 2.326 0.023 1 569 56 56 GLN HB3 H 2.200 0.023 1 570 56 56 GLN HG2 H 2.587 0.023 1 571 56 56 GLN HG3 H 2.466 0.023 1 572 56 56 GLN HE21 H 6.918 0.023 1 573 56 56 GLN HE22 H 7.629 0.023 1 574 56 56 GLN CA C 59.478 0.141 1 575 56 56 GLN CB C 28.528 0.141 1 576 56 56 GLN CG C 33.889 0.141 1 577 56 56 GLN N N 119.067 0.102 1 578 56 56 GLN NE2 N 111.299 0.102 1 579 57 57 ASN H H 8.396 0.023 1 580 57 57 ASN HA H 4.354 0.023 1 581 57 57 ASN HB2 H 2.680 0.023 1 582 57 57 ASN HB3 H 2.486 0.023 1 583 57 57 ASN HD21 H 6.952 0.023 1 584 57 57 ASN HD22 H 7.506 0.023 1 585 57 57 ASN CA C 55.317 0.141 1 586 57 57 ASN CB C 37.725 0.141 1 587 57 57 ASN N N 119.662 0.102 1 588 57 57 ASN ND2 N 113.094 0.102 1 589 58 58 ARG H H 8.454 0.023 1 590 58 58 ARG HA H 3.508 0.023 1 591 58 58 ARG HB2 H -0.533 0.023 1 592 58 58 ARG HB3 H 0.562 0.023 1 593 58 58 ARG HG2 H -0.743 0.023 1 594 58 58 ARG HG3 H -0.247 0.023 1 595 58 58 ARG HD2 H 2.076 0.023 1 596 58 58 ARG HD3 H 2.406 0.023 1 597 58 58 ARG CA C 56.145 0.141 1 598 58 58 ARG CB C 27.957 0.141 1 599 58 58 ARG CG C 23.390 0.141 1 600 58 58 ARG CD C 40.470 0.141 1 601 58 58 ARG N N 124.411 0.102 1 602 59 59 ARG HA H 4.354 0.023 1 603 59 59 ARG HB2 H 1.941 0.023 1 604 59 59 ARG HB3 H 2.278 0.023 1 605 59 59 ARG HG2 H 1.422 0.023 1 606 59 59 ARG HG3 H 2.279 0.023 1 607 59 59 ARG HD2 H 2.635 0.023 1 608 59 59 ARG HD3 H 2.835 0.023 1 609 59 59 ARG CA C 60.459 0.141 1 610 59 59 ARG CB C 32.018 0.141 1 611 59 59 ARG CG C 31.131 0.141 1 612 59 59 ARG CD C 43.653 0.141 1 613 60 60 ALA H H 7.524 0.023 1 614 60 60 ALA HA H 4.195 0.023 1 615 60 60 ALA HB H 1.526 0.023 1 616 60 60 ALA CA C 54.946 0.141 1 617 60 60 ALA CB C 17.671 0.141 1 618 60 60 ALA N N 121.683 0.102 1 619 61 61 LYS H H 7.352 0.023 1 620 61 61 LYS HA H 4.026 0.023 1 621 61 61 LYS HB2 H 1.778 0.023 1 622 61 61 LYS HB3 H 1.778 0.023 1 623 61 61 LYS HG2 H 1.442 0.023 1 624 61 61 LYS HG3 H 1.284 0.023 1 625 61 61 LYS HD2 H 1.523 0.023 1 626 61 61 LYS HD3 H 1.523 0.023 1 627 61 61 LYS HE2 H 2.839 0.023 1 628 61 61 LYS HE3 H 2.839 0.023 1 629 61 61 LYS CA C 58.604 0.141 1 630 61 61 LYS CB C 32.727 0.141 1 631 61 61 LYS CG C 24.885 0.141 1 632 61 61 LYS CD C 29.443 0.141 1 633 61 61 LYS CE C 41.938 0.141 1 634 61 61 LYS N N 118.243 0.102 1 635 62 62 TRP H H 7.934 0.023 1 636 62 62 TRP HA H 4.643 0.023 1 637 62 62 TRP HB2 H 3.822 0.023 1 638 62 62 TRP HB3 H 3.374 0.023 1 639 62 62 TRP HD1 H 7.505 0.023 1 640 62 62 TRP HE1 H 10.406 0.023 1 641 62 62 TRP HE3 H 7.736 0.023 1 642 62 62 TRP HZ2 H 7.533 0.023 1 643 62 62 TRP HZ3 H 7.120 0.023 1 644 62 62 TRP HH2 H 7.306 0.023 1 645 62 62 TRP CA C 58.923 0.141 1 646 62 62 TRP CB C 29.586 0.141 1 647 62 62 TRP CD1 C 127.315 0.141 1 648 62 62 TRP CE3 C 120.107 0.141 1 649 62 62 TRP CZ2 C 114.700 0.141 1 650 62 62 TRP CZ3 C 121.585 0.141 1 651 62 62 TRP CH2 C 124.601 0.141 1 652 62 62 TRP N N 121.102 0.102 1 653 62 62 TRP NE1 N 130.943 0.102 1 654 63 63 LYS H H 8.328 0.023 1 655 63 63 LYS HA H 3.657 0.023 1 656 63 63 LYS HB2 H 1.773 0.023 1 657 63 63 LYS HB3 H 1.773 0.023 1 658 63 63 LYS HG2 H 1.230 0.023 1 659 63 63 LYS HG3 H 1.502 0.023 1 660 63 63 LYS HD2 H 1.524 0.023 1 661 63 63 LYS HD3 H 1.524 0.023 1 662 63 63 LYS HE2 H 2.836 0.023 1 663 63 63 LYS HE3 H 2.836 0.023 1 664 63 63 LYS CA C 57.708 0.141 1 665 63 63 LYS CB C 32.673 0.141 1 666 63 63 LYS CG C 25.403 0.141 1 667 63 63 LYS CD C 29.445 0.141 1 668 63 63 LYS CE C 42.011 0.141 1 669 63 63 LYS N N 118.454 0.102 1 670 64 64 ARG H H 7.605 0.023 1 671 64 64 ARG HA H 4.094 0.023 1 672 64 64 ARG HB2 H 1.865 0.023 1 673 64 64 ARG HB3 H 1.865 0.023 1 674 64 64 ARG HG2 H 1.568 0.023 1 675 64 64 ARG HG3 H 1.699 0.023 1 676 64 64 ARG HD2 H 3.160 0.023 1 677 64 64 ARG HD3 H 3.160 0.023 1 678 64 64 ARG CA C 57.575 0.141 1 679 64 64 ARG CB C 30.042 0.141 1 680 64 64 ARG CG C 27.436 0.141 1 681 64 64 ARG CD C 43.383 0.141 1 682 64 64 ARG N N 119.371 0.102 1 683 65 65 ILE H H 7.933 0.023 1 684 65 65 ILE HA H 3.994 0.023 1 685 65 65 ILE HB H 1.910 0.023 1 686 65 65 ILE HG12 H 1.541 0.023 1 687 65 65 ILE HG13 H 1.220 0.023 1 688 65 65 ILE HG2 H 0.890 0.023 1 689 65 65 ILE HD1 H 0.855 0.023 1 690 65 65 ILE CA C 62.122 0.141 1 691 65 65 ILE CB C 38.200 0.141 1 692 65 65 ILE CG1 C 27.933 0.141 1 693 65 65 ILE CG2 C 17.390 0.141 1 694 65 65 ILE CD1 C 13.016 0.141 1 695 65 65 ILE N N 120.717 0.102 1 696 66 66 LYS H H 8.180 0.023 1 697 66 66 LYS HA H 4.140 0.023 1 698 66 66 LYS HB2 H 1.597 0.023 1 699 66 66 LYS HB3 H 1.668 0.023 1 700 66 66 LYS HG2 H 1.264 0.023 1 701 66 66 LYS HG3 H 1.264 0.023 1 702 66 66 LYS HD2 H 1.476 0.023 1 703 66 66 LYS HD3 H 1.476 0.023 1 704 66 66 LYS HE2 H 2.788 0.023 1 705 66 66 LYS HE3 H 2.788 0.023 1 706 66 66 LYS CA C 56.691 0.141 1 707 66 66 LYS CB C 32.356 0.141 1 708 66 66 LYS CG C 24.401 0.141 1 709 66 66 LYS CD C 28.911 0.141 1 710 66 66 LYS CE C 41.909 0.141 1 711 66 66 LYS N N 123.684 0.102 1 712 67 67 ALA H H 7.959 0.023 1 713 67 67 ALA HA H 4.274 0.023 1 714 67 67 ALA HB H 1.401 0.023 1 715 67 67 ALA CA C 52.548 0.141 1 716 67 67 ALA CB C 19.080 0.141 1 717 67 67 ALA N N 123.678 0.102 1 718 68 68 GLY H H 8.157 0.023 1 719 68 68 GLY HA2 H 3.915 0.023 1 720 68 68 GLY HA3 H 3.895 0.023 1 721 68 68 GLY CA C 45.274 0.141 1 722 68 68 GLY N N 107.345 0.102 1 723 69 69 ASN H H 8.230 0.023 1 724 69 69 ASN HA H 4.757 0.023 1 725 69 69 ASN HB2 H 2.839 0.023 1 726 69 69 ASN HB3 H 2.725 0.023 1 727 69 69 ASN HD21 H 7.532 0.023 1 728 69 69 ASN HD22 H 6.876 0.023 1 729 69 69 ASN CA C 53.066 0.141 1 730 69 69 ASN CB C 38.948 0.141 1 731 69 69 ASN N N 118.854 0.102 1 732 69 69 ASN ND2 N 112.931 0.102 1 733 70 70 VAL H H 8.109 0.023 1 734 70 70 VAL HA H 4.206 0.023 1 735 70 70 VAL HB H 2.153 0.023 1 736 70 70 VAL HG1 H 0.933 0.023 1 737 70 70 VAL HG2 H 0.914 0.023 1 738 70 70 VAL CA C 62.062 0.141 1 739 70 70 VAL CB C 32.804 0.141 1 740 70 70 VAL CG1 C 21.315 0.141 1 741 70 70 VAL CG2 C 20.115 0.141 1 742 70 70 VAL N N 119.499 0.102 1 743 71 71 SER H H 7.948 0.023 1 744 71 71 SER HA H 4.258 0.023 1 745 71 71 SER HB2 H 3.836 0.023 1 746 71 71 SER HB3 H 3.836 0.023 1 747 71 71 SER CA C 59.734 0.141 1 748 71 71 SER CB C 64.641 0.141 1 749 71 71 SER N N 124.538 0.102 1 stop_ save_