data_25059 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment for cold shock domain 1 of Drosophila Upstream of N-ras ; _BMRB_accession_number 25059 _BMRB_flat_file_name bmr25059.str _Entry_type original _Submission_date 2014-07-01 _Accession_date 2014-07-01 _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 Wang Iren . . 2 Hennig Janosch . . 3 Sattler Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 355 "13C chemical shifts" 270 "15N chemical shifts" 72 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-11-07 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 25060 dCDS1-RNA stop_ _Original_release_date 2014-11-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis for the assembly of the Sxl-Unr translation regulatory complex' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25209665 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hennig Janosch . . 2 Militti Cristina . . 3 Popowicz Grzegorz . . 4 Wang Iren . . 5 Sonntag Miriam . . 6 Geerlof Arie . . 7 Gabel Frank . . 8 Gebauer Fatima . . 9 Sattler Michael . . stop_ _Journal_abbreviation Nature _Journal_volume 515 _Journal_issue 7526 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 287 _Page_last 290 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name dCSD1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'cold shock domain 1 of drosophila UNR' $dCSD1 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_dCSD1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common dCSD1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 72 _Mol_residue_sequence ; GAMATRETGIIEKLLHSYGF IQCCERQARLFFHFSQFSGN IDHLKIGDPVEFEMTYDRRT GKPIASQVSKIA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 181 GLY 2 182 ALA 3 183 MET 4 184 ALA 5 185 THR 6 186 ARG 7 187 GLU 8 188 THR 9 189 GLY 10 190 ILE 11 191 ILE 12 192 GLU 13 193 LYS 14 194 LEU 15 195 LEU 16 196 HIS 17 197 SER 18 198 TYR 19 199 GLY 20 200 PHE 21 201 ILE 22 202 GLN 23 203 CYS 24 204 CYS 25 205 GLU 26 206 ARG 27 207 GLN 28 208 ALA 29 209 ARG 30 210 LEU 31 211 PHE 32 212 PHE 33 213 HIS 34 214 PHE 35 215 SER 36 216 GLN 37 217 PHE 38 218 SER 39 219 GLY 40 220 ASN 41 221 ILE 42 222 ASP 43 223 HIS 44 224 LEU 45 225 LYS 46 226 ILE 47 227 GLY 48 228 ASP 49 229 PRO 50 230 VAL 51 231 GLU 52 232 PHE 53 233 GLU 54 234 MET 55 235 THR 56 236 TYR 57 237 ASP 58 238 ARG 59 239 ARG 60 240 THR 61 241 GLY 62 242 LYS 63 243 PRO 64 244 ILE 65 245 ALA 66 246 SER 67 247 GLN 68 248 VAL 69 249 SER 70 250 LYS 71 251 ILE 72 252 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-04 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 BMRB 25060 cold_shock_domain_1_of_upstream_of_N-ras 100.00 72 100.00 100.00 1.32e-45 BMRB 25078 UNR 100.00 72 100.00 100.00 1.32e-45 PDB 4QQB "Structural Basis For The Assembly Of The Sxl-unr Translation Regulatory Complex" 100.00 72 100.00 100.00 1.32e-45 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $dCSD1 'Fruit Fly' 7227 Eukaryota Metazoa Drosophila melanogaster 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 $dCSD1 'recombinant technology' . Escherichia coli BL21(DE3) pETtrx-1a 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $dCSD1 . mM 0.1 0.8 '[U-99% 13C; U-99% 15N]' 'potassium phosphate' 10 mM . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' DTT 10 mM . . 'natural abundance' D2O 10 % . . '[U-99% 2H]' H2O 90 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ save_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . 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 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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 temperature 298 . K pH 6 . pH pressure 1 . atm 'ionic strength' 0.05 . M 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 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 HNCO' '3D HNCACB' '3D HNCA' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '2D 1H-13C HSQC' 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 'cold shock domain 1 of drosophila UNR' _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 1 181 1 GLY HA2 H 3.849 0.015 1 2 181 1 GLY HA3 H 3.849 0.015 1 3 181 1 GLY CA C 43.051 0.150 1 4 182 2 ALA HA H 4.367 0.015 1 5 182 2 ALA HB H 1.409 0.015 1 6 182 2 ALA C C 177.740 0.150 1 7 182 2 ALA CA C 52.574 0.094 1 8 182 2 ALA CB C 19.385 0.157 1 9 183 3 MET H H 8.493 0.006 1 10 183 3 MET HG2 H 2.571 0.015 2 11 183 3 MET HG3 H 2.632 0.015 2 12 183 3 MET CA C 55.273 0.023 1 13 183 3 MET CB C 32.998 0.150 1 14 183 3 MET CG C 32.045 0.001 1 15 183 3 MET N N 119.844 0.026 1 16 184 4 ALA H H 8.403 0.002 1 17 184 4 ALA HA H 4.441 0.015 1 18 184 4 ALA HB H 1.394 0.015 1 19 184 4 ALA CA C 52.382 0.082 1 20 184 4 ALA CB C 19.767 0.118 1 21 184 4 ALA N N 125.847 0.035 1 22 185 5 THR H H 8.336 0.002 1 23 185 5 THR HA H 4.323 0.015 1 24 185 5 THR HB H 4.199 0.002 1 25 185 5 THR HG2 H 1.208 0.003 1 26 185 5 THR C C 174.102 0.150 1 27 185 5 THR CA C 61.962 0.066 1 28 185 5 THR CB C 69.855 0.159 1 29 185 5 THR CG2 C 21.828 0.048 1 30 185 5 THR N N 114.958 0.044 1 31 186 6 ARG H H 8.216 0.003 1 32 186 6 ARG HB2 H 1.636 0.015 1 33 186 6 ARG HB3 H 1.636 0.015 1 34 186 6 ARG HG2 H 1.575 0.004 1 35 186 6 ARG HG3 H 1.575 0.004 1 36 186 6 ARG HD2 H 3.064 0.015 2 37 186 6 ARG HD3 H 3.206 0.015 2 38 186 6 ARG C C 175.480 0.150 1 39 186 6 ARG CA C 55.398 0.034 1 40 186 6 ARG CB C 30.892 0.044 1 41 186 6 ARG CG C 27.369 0.017 1 42 186 6 ARG CD C 42.614 0.001 1 43 186 6 ARG N N 124.273 0.055 1 44 187 7 GLU H H 8.530 0.002 1 45 187 7 GLU HA H 4.662 0.015 1 46 187 7 GLU HB2 H 1.410 0.008 2 47 187 7 GLU HG3 H 1.862 0.010 2 48 187 7 GLU C C 173.690 0.150 1 49 187 7 GLU CA C 54.399 0.078 1 50 187 7 GLU CB C 33.609 0.058 1 51 187 7 GLU CG C 36.114 0.013 1 52 187 7 GLU N N 121.938 0.032 1 53 188 8 THR H H 8.207 0.005 1 54 188 8 THR HA H 5.505 0.006 1 55 188 8 THR HB H 4.371 0.001 1 56 188 8 THR HG2 H 1.212 0.005 1 57 188 8 THR C C 176.486 0.150 1 58 188 8 THR CA C 60.343 0.093 1 59 188 8 THR CB C 72.916 0.083 1 60 188 8 THR CG2 C 22.245 0.066 1 61 188 8 THR N N 106.722 0.028 1 62 189 9 GLY H H 9.218 0.001 1 63 189 9 GLY HA2 H 3.934 0.005 2 64 189 9 GLY HA3 H 5.302 0.001 2 65 189 9 GLY C C 171.419 0.150 1 66 189 9 GLY CA C 46.503 0.074 1 67 189 9 GLY N N 109.475 0.031 1 68 190 10 ILE H H 8.810 0.003 1 69 190 10 ILE HA H 5.205 0.005 1 70 190 10 ILE HB H 1.660 0.015 1 71 190 10 ILE HG12 H 1.165 0.015 1 72 190 10 ILE HG13 H 1.430 0.015 1 73 190 10 ILE HG2 H 0.836 0.004 1 74 190 10 ILE HD1 H 0.816 0.005 1 75 190 10 ILE C C 176.612 0.150 1 76 190 10 ILE CA C 58.428 0.058 1 77 190 10 ILE CB C 41.917 0.033 1 78 190 10 ILE CG1 C 26.677 0.002 1 79 190 10 ILE CG2 C 17.806 0.047 1 80 190 10 ILE CD1 C 12.325 0.048 1 81 190 10 ILE N N 118.373 0.036 1 82 191 11 ILE H H 8.642 0.002 1 83 191 11 ILE HA H 4.000 0.003 1 84 191 11 ILE HB H 2.486 0.006 1 85 191 11 ILE HG12 H 1.256 0.015 1 86 191 11 ILE HG13 H 1.919 0.015 1 87 191 11 ILE HG2 H 0.797 0.004 1 88 191 11 ILE HD1 H 0.534 0.003 1 89 191 11 ILE C C 175.947 0.150 1 90 191 11 ILE CA C 60.422 0.078 1 91 191 11 ILE CB C 35.090 0.003 1 92 191 11 ILE CG1 C 25.557 0.039 1 93 191 11 ILE CG2 C 18.455 0.049 1 94 191 11 ILE CD1 C 10.484 0.036 1 95 191 11 ILE N N 123.872 0.034 1 96 192 12 GLU H H 9.412 0.003 1 97 192 12 GLU HA H 4.530 0.015 1 98 192 12 GLU HB2 H 2.026 0.001 1 99 192 12 GLU HB3 H 2.026 0.001 1 100 192 12 GLU HG2 H 2.153 0.015 2 101 192 12 GLU HG3 H 2.392 0.002 2 102 192 12 GLU C C 175.146 0.150 1 103 192 12 GLU CA C 57.259 0.076 1 104 192 12 GLU CB C 32.699 0.107 1 105 192 12 GLU CG C 36.314 0.021 1 106 192 12 GLU N N 132.589 0.037 1 107 193 13 LYS H H 7.688 0.001 1 108 193 13 LYS HA H 4.503 0.015 1 109 193 13 LYS HB2 H 1.824 0.015 2 110 193 13 LYS HB3 H 1.921 0.003 2 111 193 13 LYS HG2 H 1.454 0.015 2 112 193 13 LYS HG3 H 1.520 0.015 2 113 193 13 LYS HD2 H 1.672 0.015 2 114 193 13 LYS HD3 H 1.760 0.015 2 115 193 13 LYS HE2 H 2.943 0.015 1 116 193 13 LYS HE3 H 2.943 0.015 1 117 193 13 LYS C C 174.032 0.150 1 118 193 13 LYS CA C 55.929 0.059 1 119 193 13 LYS CB C 37.710 0.065 1 120 193 13 LYS CG C 25.117 0.150 1 121 193 13 LYS CD C 29.031 0.001 1 122 193 13 LYS CE C 41.763 0.150 1 123 193 13 LYS N N 115.816 0.043 1 124 194 14 LEU H H 8.504 0.005 1 125 194 14 LEU HA H 4.590 0.015 1 126 194 14 LEU HB2 H 1.542 0.006 2 127 194 14 LEU HB3 H 1.810 0.002 2 128 194 14 LEU HD1 H 0.721 0.005 1 129 194 14 LEU HD2 H 0.951 0.005 1 130 194 14 LEU C C 174.605 0.150 1 131 194 14 LEU CA C 55.221 0.145 1 132 194 14 LEU CB C 44.420 0.102 1 133 194 14 LEU CD1 C 25.621 0.045 1 134 194 14 LEU CD2 C 24.679 0.046 1 135 194 14 LEU N N 123.719 0.038 1 136 195 15 LEU H H 8.476 0.003 1 137 195 15 LEU HA H 4.571 0.015 1 138 195 15 LEU HB2 H 0.503 0.015 2 139 195 15 LEU HB3 H 1.403 0.020 2 140 195 15 LEU HG H 1.504 0.005 1 141 195 15 LEU HD1 H 0.845 0.003 1 142 195 15 LEU HD2 H 0.859 0.006 1 143 195 15 LEU C C 175.618 0.150 1 144 195 15 LEU CA C 53.441 0.074 1 145 195 15 LEU CB C 38.756 0.061 1 146 195 15 LEU CG C 28.224 0.035 1 147 195 15 LEU CD1 C 24.727 0.009 1 148 195 15 LEU CD2 C 24.517 0.068 1 149 195 15 LEU N N 127.444 0.038 1 150 196 16 HIS H H 7.773 0.023 1 151 196 16 HIS HB2 H 3.208 0.015 1 152 196 16 HIS HB3 H 3.208 0.015 1 153 196 16 HIS CA C 58.858 0.003 1 154 196 16 HIS CB C 28.773 0.150 1 155 196 16 HIS N N 116.985 0.047 1 156 197 17 SER HA H 3.947 0.004 1 157 197 17 SER HB2 H 3.648 0.011 2 158 197 17 SER HB3 H 3.936 0.008 2 159 197 17 SER C C 171.307 0.150 1 160 197 17 SER CA C 57.932 0.167 1 161 197 17 SER CB C 64.381 0.091 1 162 198 18 TYR H H 5.889 0.009 1 163 198 18 TYR HA H 3.665 0.002 1 164 198 18 TYR HB2 H 2.015 0.015 2 165 198 18 TYR HB3 H 2.373 0.001 2 166 198 18 TYR C C 171.186 0.150 1 167 198 18 TYR CA C 55.152 0.058 1 168 198 18 TYR CB C 39.779 0.062 1 169 198 18 TYR N N 116.222 0.103 1 170 199 19 GLY H H 7.702 0.005 1 171 199 19 GLY HA2 H 3.623 0.004 2 172 199 19 GLY HA3 H 3.844 0.001 2 173 199 19 GLY C C 169.603 0.150 1 174 199 19 GLY CA C 44.959 0.084 1 175 199 19 GLY N N 105.321 0.022 1 176 200 20 PHE H H 8.597 0.001 1 177 200 20 PHE HA H 5.766 0.002 1 178 200 20 PHE HB2 H 2.700 0.003 2 179 200 20 PHE HB3 H 2.900 0.001 2 180 200 20 PHE C C 175.599 0.150 1 181 200 20 PHE CA C 56.855 0.073 1 182 200 20 PHE CB C 44.450 0.049 1 183 200 20 PHE N N 112.547 0.042 1 184 201 21 ILE H H 9.731 0.001 1 185 201 21 ILE HA H 4.467 0.015 1 186 201 21 ILE HB H 1.187 0.003 1 187 201 21 ILE HG12 H 0.331 0.015 1 188 201 21 ILE HG13 H 1.457 0.015 1 189 201 21 ILE HG2 H 0.457 0.006 1 190 201 21 ILE HD1 H -0.252 0.004 1 191 201 21 ILE C C 175.408 0.150 1 192 201 21 ILE CA C 59.827 0.089 1 193 201 21 ILE CB C 43.049 0.123 1 194 201 21 ILE CG1 C 28.867 0.008 1 195 201 21 ILE CG2 C 17.806 0.038 1 196 201 21 ILE CD1 C 14.322 0.031 1 197 201 21 ILE N N 124.588 0.054 1 198 202 22 GLN H H 9.295 0.004 1 199 202 22 GLN HA H 4.841 0.015 1 200 202 22 GLN HB2 H 2.003 0.015 2 201 202 22 GLN HB3 H 2.172 0.015 2 202 202 22 GLN HG2 H 2.380 0.015 1 203 202 22 GLN HG3 H 2.380 0.015 1 204 202 22 GLN HE21 H 6.744 0.002 2 205 202 22 GLN HE22 H 7.737 0.015 2 206 202 22 GLN C C 175.994 0.150 1 207 202 22 GLN CA C 54.628 0.111 1 208 202 22 GLN CB C 29.247 0.039 1 209 202 22 GLN CG C 33.195 0.079 1 210 202 22 GLN N N 126.482 0.016 1 211 202 22 GLN NE2 N 110.985 0.032 1 212 203 23 CYS H H 8.780 0.001 1 213 203 23 CYS HA H 4.640 0.015 1 214 203 23 CYS HB2 H 3.170 0.003 2 215 203 23 CYS HB3 H 3.749 0.001 2 216 203 23 CYS C C 175.244 0.150 1 217 203 23 CYS CA C 62.085 0.070 1 218 203 23 CYS CB C 28.607 0.107 1 219 203 23 CYS N N 127.158 0.042 1 220 204 24 CYS H H 8.890 0.004 1 221 204 24 CYS HA H 4.587 0.015 1 222 204 24 CYS HB2 H 2.891 0.015 2 223 204 24 CYS HB3 H 3.218 0.001 2 224 204 24 CYS C C 176.245 0.150 1 225 204 24 CYS CA C 61.129 0.076 1 226 204 24 CYS CB C 28.379 0.072 1 227 204 24 CYS N N 119.629 0.053 1 228 205 25 GLU H H 9.182 0.002 1 229 205 25 GLU HA H 4.433 0.015 1 230 205 25 GLU HB2 H 2.107 0.008 2 231 205 25 GLU HB3 H 2.341 0.001 2 232 205 25 GLU HG2 H 2.256 0.001 2 233 205 25 GLU HG3 H 2.341 0.015 2 234 205 25 GLU C C 175.294 0.150 1 235 205 25 GLU CA C 57.248 0.091 1 236 205 25 GLU CB C 29.498 0.051 1 237 205 25 GLU CG C 36.983 0.036 1 238 205 25 GLU N N 119.089 0.021 1 239 206 26 ARG H H 7.636 0.001 1 240 206 26 ARG HA H 4.531 0.015 1 241 206 26 ARG HB2 H 1.722 0.015 2 242 206 26 ARG HB3 H 2.057 0.015 2 243 206 26 ARG HD2 H 3.205 0.008 2 244 206 26 ARG HD3 H 3.254 0.001 2 245 206 26 ARG C C 174.162 0.150 1 246 206 26 ARG CA C 53.927 0.042 1 247 206 26 ARG CB C 31.334 0.021 1 248 206 26 ARG CD C 43.051 0.127 1 249 206 26 ARG N N 114.645 0.056 1 250 207 27 GLN H H 8.503 0.005 1 251 207 27 GLN HA H 4.602 0.015 1 252 207 27 GLN HE21 H 6.854 0.005 2 253 207 27 GLN HE22 H 7.598 0.001 2 254 207 27 GLN C C 175.065 0.150 1 255 207 27 GLN CA C 55.219 0.113 1 256 207 27 GLN CB C 27.479 0.020 1 257 207 27 GLN CG C 34.157 0.016 1 258 207 27 GLN N N 119.820 0.033 1 259 207 27 GLN NE2 N 112.704 0.041 1 260 208 28 ALA H H 8.227 0.004 1 261 208 28 ALA HA H 4.522 0.015 1 262 208 28 ALA HB H 1.373 0.002 1 263 208 28 ALA C C 174.184 0.150 1 264 208 28 ALA CA C 52.545 0.078 1 265 208 28 ALA CB C 21.426 0.055 1 266 208 28 ALA N N 125.072 0.057 1 267 209 29 ARG H H 8.451 0.003 1 268 209 29 ARG HA H 5.346 0.009 1 269 209 29 ARG HB2 H 1.739 0.015 1 270 209 29 ARG HB3 H 1.739 0.015 1 271 209 29 ARG HG2 H 1.434 0.015 2 272 209 29 ARG HD2 H 2.877 0.003 2 273 209 29 ARG HD3 H 2.961 0.006 2 274 209 29 ARG C C 175.973 0.150 1 275 209 29 ARG CA C 54.437 0.079 1 276 209 29 ARG CB C 32.311 0.025 1 277 209 29 ARG CG C 28.005 0.150 1 278 209 29 ARG CD C 43.408 0.124 1 279 209 29 ARG N N 123.204 0.046 1 280 210 30 LEU H H 9.403 0.002 1 281 210 30 LEU HA H 5.028 0.015 1 282 210 30 LEU HB2 H 1.184 0.003 2 283 210 30 LEU HB3 H 1.355 0.002 2 284 210 30 LEU HG H 1.353 0.015 1 285 210 30 LEU HD1 H 0.607 0.004 1 286 210 30 LEU HD2 H 0.703 0.004 1 287 210 30 LEU C C 175.613 0.150 1 288 210 30 LEU CA C 53.523 0.101 1 289 210 30 LEU CB C 46.086 0.112 1 290 210 30 LEU CG C 27.221 0.150 1 291 210 30 LEU CD1 C 27.270 0.034 1 292 210 30 LEU CD2 C 24.389 0.046 1 293 210 30 LEU N N 125.700 0.036 1 294 211 31 PHE H H 8.827 0.002 1 295 211 31 PHE HA H 4.512 0.015 1 296 211 31 PHE HB2 H 2.915 0.015 2 297 211 31 PHE HB3 H 3.097 0.015 2 298 211 31 PHE C C 174.051 0.150 1 299 211 31 PHE CA C 57.462 0.089 1 300 211 31 PHE CB C 41.297 0.321 1 301 211 31 PHE N N 126.597 0.035 1 302 212 32 PHE H H 7.826 0.002 1 303 212 32 PHE HA H 5.027 0.015 1 304 212 32 PHE HB2 H 2.760 0.004 2 305 212 32 PHE HB3 H 2.819 0.001 2 306 212 32 PHE C C 171.332 0.150 1 307 212 32 PHE CA C 55.786 0.072 1 308 212 32 PHE CB C 43.591 0.083 1 309 212 32 PHE N N 122.819 0.028 1 310 213 33 HIS H H 9.491 0.003 1 311 213 33 HIS HA H 4.173 0.001 1 312 213 33 HIS HB2 H 3.099 0.002 2 313 213 33 HIS HB3 H 3.163 0.010 2 314 213 33 HIS C C 178.232 0.150 1 315 213 33 HIS CA C 56.675 0.027 1 316 213 33 HIS CB C 32.827 0.066 1 317 213 33 HIS N N 122.433 0.035 1 318 214 34 PHE H H 8.048 0.003 1 319 214 34 PHE HA H 4.486 0.004 1 320 214 34 PHE HB2 H 2.981 0.015 2 321 214 34 PHE HB3 H 3.239 0.007 2 322 214 34 PHE C C 178.800 0.150 1 323 214 34 PHE CA C 57.638 0.073 1 324 214 34 PHE CB C 35.147 0.062 1 325 214 34 PHE N N 125.668 0.029 1 326 215 35 SER H H 9.618 0.009 1 327 215 35 SER HA H 4.492 0.004 1 328 215 35 SER HB2 H 4.178 0.015 2 329 215 35 SER HB3 H 4.241 0.015 2 330 215 35 SER C C 176.058 0.150 1 331 215 35 SER CA C 61.002 0.084 1 332 215 35 SER CB C 62.244 0.134 1 333 215 35 SER N N 117.641 0.036 1 334 216 36 GLN H H 8.299 0.006 1 335 216 36 GLN HA H 4.492 0.005 1 336 216 36 GLN HB2 H 2.625 0.015 2 337 216 36 GLN HB3 H 2.905 0.015 2 338 216 36 GLN HG2 H 2.572 0.003 2 339 216 36 GLN HG3 H 2.909 0.004 2 340 216 36 GLN HE21 H 7.014 0.001 2 341 216 36 GLN HE22 H 7.810 0.003 2 342 216 36 GLN C C 174.359 0.150 1 343 216 36 GLN CA C 55.311 0.065 1 344 216 36 GLN CB C 28.838 0.077 1 345 216 36 GLN CG C 34.371 0.130 1 346 216 36 GLN N N 119.918 0.024 1 347 216 36 GLN NE2 N 114.666 0.053 1 348 217 37 PHE H H 8.022 0.001 1 349 217 37 PHE HA H 5.204 0.004 1 350 217 37 PHE HB2 H 2.760 0.004 2 351 217 37 PHE HB3 H 3.362 0.015 2 352 217 37 PHE C C 174.728 0.150 1 353 217 37 PHE CA C 56.883 0.068 1 354 217 37 PHE CB C 41.106 0.114 1 355 217 37 PHE N N 121.954 0.036 1 356 218 38 SER H H 8.320 0.005 1 357 218 38 SER HA H 4.416 0.003 1 358 218 38 SER HB2 H 3.615 0.001 1 359 218 38 SER HB3 H 3.615 0.001 1 360 218 38 SER C C 172.681 0.150 1 361 218 38 SER CA C 57.204 0.088 1 362 218 38 SER CB C 63.094 0.079 1 363 218 38 SER N N 124.436 0.021 1 364 219 39 GLY H H 7.248 0.002 1 365 219 39 GLY HA2 H 3.833 0.017 1 366 219 39 GLY HA3 H 3.833 0.017 1 367 219 39 GLY CA C 43.915 0.091 1 368 219 39 GLY N N 111.244 0.048 1 369 220 40 ASN H H 8.556 0.002 1 370 220 40 ASN HA H 4.819 0.015 1 371 220 40 ASN HB2 H 2.609 0.028 2 372 220 40 ASN HB3 H 2.731 0.023 2 373 220 40 ASN HD21 H 6.971 0.001 2 374 220 40 ASN HD22 H 7.385 0.017 2 375 220 40 ASN C C 177.156 0.150 1 376 220 40 ASN CA C 52.121 0.115 1 377 220 40 ASN CB C 38.029 0.181 1 378 220 40 ASN N N 118.108 0.034 1 379 220 40 ASN ND2 N 110.775 0.047 1 380 221 41 ILE H H 8.911 0.002 1 381 221 41 ILE HA H 3.630 0.001 1 382 221 41 ILE HB H 1.691 0.015 1 383 221 41 ILE HG12 H 0.610 0.015 1 384 221 41 ILE HG13 H 0.778 0.007 1 385 221 41 ILE HG2 H 0.708 0.003 1 386 221 41 ILE HD1 H -0.157 0.004 1 387 221 41 ILE C C 176.013 0.150 1 388 221 41 ILE CA C 61.162 0.087 1 389 221 41 ILE CB C 38.407 0.035 1 390 221 41 ILE CG1 C 28.611 0.091 1 391 221 41 ILE CG2 C 18.128 0.033 1 392 221 41 ILE CD1 C 13.158 0.017 1 393 221 41 ILE N N 129.736 0.052 1 394 222 42 ASP H H 8.041 0.004 1 395 222 42 ASP HA H 4.336 0.005 1 396 222 42 ASP HB2 H 2.414 0.023 2 397 222 42 ASP HB3 H 2.534 0.006 2 398 222 42 ASP C C 177.108 0.150 1 399 222 42 ASP CA C 56.037 0.057 1 400 222 42 ASP CB C 39.787 0.092 1 401 222 42 ASP N N 120.433 0.020 1 402 223 43 HIS H H 7.636 0.005 1 403 223 43 HIS HA H 4.737 0.015 1 404 223 43 HIS HB2 H 3.477 0.044 2 405 223 43 HIS HB3 H 3.048 0.015 2 406 223 43 HIS C C 173.655 0.150 1 407 223 43 HIS CA C 53.820 0.125 1 408 223 43 HIS CB C 30.538 0.414 1 409 223 43 HIS N N 115.248 0.133 1 410 224 44 LEU H H 7.308 0.002 1 411 224 44 LEU HA H 4.405 0.003 1 412 224 44 LEU HB2 H 0.846 0.015 2 413 224 44 LEU HB3 H 1.601 0.015 2 414 224 44 LEU HG H 1.246 0.015 1 415 224 44 LEU HD1 H 0.739 0.003 1 416 224 44 LEU HD2 H 0.069 0.008 1 417 224 44 LEU C C 174.447 0.150 1 418 224 44 LEU CA C 54.637 0.104 1 419 224 44 LEU CB C 43.481 0.056 1 420 224 44 LEU CG C 26.436 0.150 1 421 224 44 LEU CD1 C 23.122 0.015 1 422 224 44 LEU CD2 C 24.919 0.056 1 423 224 44 LEU N N 124.282 0.057 1 424 225 45 LYS H H 8.837 0.002 1 425 225 45 LYS HA H 4.612 0.015 1 426 225 45 LYS HB2 H 1.704 0.003 1 427 225 45 LYS HB3 H 1.704 0.003 1 428 225 45 LYS HG2 H 1.293 0.004 2 429 225 45 LYS HG3 H 1.406 0.015 2 430 225 45 LYS HE2 H 3.011 0.015 1 431 225 45 LYS HE3 H 3.011 0.015 1 432 225 45 LYS C C 176.132 0.150 1 433 225 45 LYS CA C 53.985 0.112 1 434 225 45 LYS CB C 35.735 0.055 1 435 225 45 LYS CG C 23.826 0.042 1 436 225 45 LYS CE C 41.862 0.150 1 437 225 45 LYS N N 125.432 0.043 1 438 226 46 ILE H H 8.227 0.002 1 439 226 46 ILE HA H 3.396 0.001 1 440 226 46 ILE HB H 1.747 0.002 1 441 226 46 ILE HG12 H 1.167 0.015 1 442 226 46 ILE HG13 H 1.616 0.015 1 443 226 46 ILE HG2 H 0.936 0.006 1 444 226 46 ILE HD1 H 0.942 0.003 1 445 226 46 ILE C C 177.599 0.150 1 446 226 46 ILE CA C 63.428 0.074 1 447 226 46 ILE CB C 36.937 0.018 1 448 226 46 ILE CG1 C 27.950 0.004 1 449 226 46 ILE CG2 C 17.561 0.043 1 450 226 46 ILE CD1 C 12.535 0.016 1 451 226 46 ILE N N 119.419 0.031 1 452 227 47 GLY H H 9.108 0.002 1 453 227 47 GLY HA2 H 3.538 0.006 2 454 227 47 GLY HA3 H 4.483 0.004 2 455 227 47 GLY C C 174.128 0.150 1 456 227 47 GLY CA C 44.650 0.105 1 457 227 47 GLY N N 116.142 0.024 1 458 228 48 ASP H H 8.047 0.002 1 459 228 48 ASP HA H 4.962 0.003 1 460 228 48 ASP HB2 H 2.357 0.004 2 461 228 48 ASP HB3 H 2.944 0.004 2 462 228 48 ASP CA C 53.456 0.054 1 463 228 48 ASP CB C 40.163 0.020 1 464 228 48 ASP N N 122.247 0.045 1 465 229 49 PRO HA H 5.372 0.008 1 466 229 49 PRO HB2 H 2.037 0.005 2 467 229 49 PRO HB3 H 2.290 0.009 2 468 229 49 PRO HG3 H 2.423 0.015 2 469 229 49 PRO HD2 H 3.836 0.007 2 470 229 49 PRO HD3 H 4.203 0.003 2 471 229 49 PRO C C 177.175 0.150 1 472 229 49 PRO CA C 61.866 0.048 1 473 229 49 PRO CB C 32.143 0.125 1 474 229 49 PRO CG C 27.337 0.150 1 475 229 49 PRO CD C 51.204 0.040 1 476 230 50 VAL H H 8.876 0.003 1 477 230 50 VAL HA H 5.340 0.004 1 478 230 50 VAL HB H 2.152 0.015 1 479 230 50 VAL HG1 H 0.716 0.005 1 480 230 50 VAL HG2 H 0.485 0.005 1 481 230 50 VAL C C 173.636 0.150 1 482 230 50 VAL CA C 58.520 0.049 1 483 230 50 VAL CB C 36.812 0.064 1 484 230 50 VAL CG1 C 21.873 0.008 1 485 230 50 VAL CG2 C 17.676 0.021 1 486 230 50 VAL N N 114.688 0.038 1 487 231 51 GLU H H 9.145 0.002 1 488 231 51 GLU HA H 5.402 0.003 1 489 231 51 GLU HB2 H 1.852 0.015 1 490 231 51 GLU HB3 H 1.852 0.015 1 491 231 51 GLU HG2 H 2.110 0.003 1 492 231 51 GLU HG3 H 2.110 0.003 1 493 231 51 GLU C C 174.824 0.150 1 494 231 51 GLU CA C 53.596 0.066 1 495 231 51 GLU CB C 34.003 0.081 1 496 231 51 GLU CG C 37.079 0.120 1 497 231 51 GLU N N 120.054 0.035 1 498 232 52 PHE H H 8.233 0.004 1 499 232 52 PHE HA H 5.139 0.015 1 500 232 52 PHE HB2 H 2.956 0.015 2 501 232 52 PHE HB3 H 3.083 0.001 2 502 232 52 PHE C C 171.990 0.150 1 503 232 52 PHE CA C 56.448 0.049 1 504 232 52 PHE CB C 41.321 0.106 1 505 232 52 PHE N N 116.831 0.034 1 506 233 53 GLU H H 8.784 0.002 1 507 233 53 GLU HA H 4.851 0.015 1 508 233 53 GLU HB2 H 1.831 0.015 2 509 233 53 GLU HG2 H 2.063 0.015 2 510 233 53 GLU HG3 H 2.189 0.015 2 511 233 53 GLU C C 175.800 0.150 1 512 233 53 GLU CA C 54.239 0.046 1 513 233 53 GLU CB C 32.544 0.059 1 514 233 53 GLU CG C 35.950 0.002 1 515 233 53 GLU N N 117.687 0.032 1 516 234 54 MET H H 9.560 0.005 1 517 234 54 MET HA H 5.098 0.015 1 518 234 54 MET HB2 H 1.801 0.015 2 519 234 54 MET HB3 H 2.244 0.015 2 520 234 54 MET HG2 H 2.296 0.015 2 521 234 54 MET HG3 H 2.476 0.015 2 522 234 54 MET C C 175.525 0.150 1 523 234 54 MET CA C 55.825 0.078 1 524 234 54 MET CB C 33.568 0.030 1 525 234 54 MET CG C 32.285 0.150 1 526 234 54 MET N N 128.540 0.035 1 527 235 55 THR H H 8.814 0.004 1 528 235 55 THR HA H 4.564 0.015 1 529 235 55 THR HB H 4.213 0.001 1 530 235 55 THR HG2 H 1.119 0.001 1 531 235 55 THR C C 171.588 0.150 1 532 235 55 THR CA C 59.668 0.075 1 533 235 55 THR CB C 70.374 0.057 1 534 235 55 THR CG2 C 20.808 0.026 1 535 235 55 THR N N 121.771 0.028 1 536 236 56 TYR H H 8.380 0.002 1 537 236 56 TYR HA H 4.928 0.009 1 538 236 56 TYR HB2 H 2.582 0.008 2 539 236 56 TYR HB3 H 2.657 0.001 2 540 236 56 TYR C C 175.979 0.150 1 541 236 56 TYR CA C 57.082 0.066 1 542 236 56 TYR CB C 40.102 0.024 1 543 236 56 TYR N N 118.027 0.027 1 544 237 57 ASP H H 8.894 0.004 1 545 237 57 ASP HA H 4.518 0.002 1 546 237 57 ASP HB2 H 2.564 0.015 2 547 237 57 ASP HB3 H 3.030 0.015 2 548 237 57 ASP C C 177.739 0.150 1 549 237 57 ASP CA C 54.331 0.091 1 550 237 57 ASP CB C 42.832 0.027 1 551 237 57 ASP N N 125.918 0.029 1 552 238 58 ARG H H 8.972 0.002 1 553 238 58 ARG HA H 4.052 0.002 1 554 238 58 ARG HB2 H 1.929 0.002 1 555 238 58 ARG HB3 H 1.929 0.002 1 556 238 58 ARG C C 177.442 0.150 1 557 238 58 ARG CA C 58.728 0.087 1 558 238 58 ARG CB C 30.055 0.095 1 559 238 58 ARG N N 127.809 0.043 1 560 239 59 ARG H H 8.588 0.001 1 561 239 59 ARG HA H 4.293 0.003 1 562 239 59 ARG HB2 H 1.971 0.015 1 563 239 59 ARG HB3 H 1.971 0.015 1 564 239 59 ARG HG3 H 1.691 0.015 2 565 239 59 ARG C C 178.351 0.150 1 566 239 59 ARG CA C 58.378 0.060 1 567 239 59 ARG CB C 30.748 0.076 1 568 239 59 ARG CG C 27.452 0.150 1 569 239 59 ARG N N 117.644 0.024 1 570 240 60 THR H H 8.062 0.007 1 571 240 60 THR HA H 4.417 0.002 1 572 240 60 THR HB H 4.302 0.001 1 573 240 60 THR HG2 H 1.132 0.004 1 574 240 60 THR C C 176.540 0.150 1 575 240 60 THR CA C 61.826 0.080 1 576 240 60 THR CB C 71.203 0.072 1 577 240 60 THR CG2 C 21.031 0.046 1 578 240 60 THR N N 106.503 0.042 1 579 241 61 GLY H H 8.429 0.005 1 580 241 61 GLY HA2 H 3.831 0.012 2 581 241 61 GLY HA3 H 4.154 0.011 2 582 241 61 GLY C C 173.737 0.150 1 583 241 61 GLY CA C 45.859 0.074 1 584 241 61 GLY N N 111.602 0.029 1 585 242 62 LYS H H 7.631 0.002 1 586 242 62 LYS HA H 4.737 0.015 1 587 242 62 LYS HB2 H 1.691 0.015 2 588 242 62 LYS CA C 54.185 0.122 1 589 242 62 LYS CB C 32.562 0.015 1 590 242 62 LYS N N 120.202 0.049 1 591 243 63 PRO HA H 4.829 0.015 1 592 243 63 PRO HB2 H 1.784 0.015 2 593 243 63 PRO HG2 H 2.106 0.015 2 594 243 63 PRO HG3 H 2.224 0.015 2 595 243 63 PRO HD2 H 3.814 0.004 2 596 243 63 PRO HD3 H 4.041 0.001 2 597 243 63 PRO C C 176.077 0.150 1 598 243 63 PRO CA C 62.547 0.038 1 599 243 63 PRO CB C 32.204 0.020 1 600 243 63 PRO CG C 27.387 0.025 1 601 243 63 PRO CD C 50.540 0.022 1 602 244 64 ILE H H 8.894 0.003 1 603 244 64 ILE HA H 4.795 0.015 1 604 244 64 ILE HB H 2.100 0.006 1 605 244 64 ILE HG12 H 1.253 0.015 1 606 244 64 ILE HG13 H 0.911 0.015 1 607 244 64 ILE HG2 H 0.962 0.004 1 608 244 64 ILE HD1 H 0.864 0.003 1 609 244 64 ILE C C 173.696 0.150 1 610 244 64 ILE CA C 60.180 0.068 1 611 244 64 ILE CB C 42.941 0.101 1 612 244 64 ILE CG1 C 26.175 0.044 1 613 244 64 ILE CG2 C 18.669 0.032 1 614 244 64 ILE CD1 C 13.767 0.046 1 615 244 64 ILE N N 118.592 0.077 1 616 245 65 ALA H H 8.786 0.002 1 617 245 65 ALA HA H 4.972 0.015 1 618 245 65 ALA HB H 0.757 0.006 1 619 245 65 ALA C C 175.288 0.150 1 620 245 65 ALA CA C 50.567 0.055 1 621 245 65 ALA CB C 21.478 0.061 1 622 245 65 ALA N N 123.404 0.040 1 623 246 66 SER H H 8.909 0.003 1 624 246 66 SER HA H 4.827 0.006 1 625 246 66 SER HB2 H 3.800 0.001 2 626 246 66 SER HB3 H 3.903 0.001 2 627 246 66 SER C C 172.595 0.150 1 628 246 66 SER CA C 56.602 0.089 1 629 246 66 SER CB C 65.871 0.077 1 630 246 66 SER N N 115.043 0.039 1 631 247 67 GLN H H 9.305 0.011 1 632 247 67 GLN HA H 4.066 0.003 1 633 247 67 GLN HB2 H 2.033 0.003 2 634 247 67 GLN HB3 H 2.180 0.015 2 635 247 67 GLN HG2 H 2.364 0.019 2 636 247 67 GLN HG3 H 2.406 0.009 2 637 247 67 GLN HE21 H 6.835 0.001 2 638 247 67 GLN HE22 H 7.671 0.015 2 639 247 67 GLN C C 175.071 0.150 1 640 247 67 GLN CA C 56.664 0.097 1 641 247 67 GLN CB C 27.392 0.034 1 642 247 67 GLN CG C 34.217 0.098 1 643 247 67 GLN N N 120.256 0.046 1 644 247 67 GLN NE2 N 113.126 0.046 1 645 248 68 VAL H H 8.391 0.002 1 646 248 68 VAL HA H 4.761 0.015 1 647 248 68 VAL HB H 1.893 0.015 1 648 248 68 VAL HG1 H 0.542 0.005 1 649 248 68 VAL HG2 H 0.552 0.015 1 650 248 68 VAL C C 175.326 0.150 1 651 248 68 VAL CA C 61.806 0.092 1 652 248 68 VAL CB C 32.740 0.074 1 653 248 68 VAL CG1 C 21.350 0.096 1 654 248 68 VAL CG2 C 20.856 0.150 1 655 248 68 VAL N N 120.616 0.038 1 656 249 69 SER H H 9.283 0.006 1 657 249 69 SER HA H 4.540 0.015 1 658 249 69 SER HB2 H 3.651 0.002 2 659 249 69 SER HB3 H 3.687 0.002 2 660 249 69 SER C C 173.373 0.150 1 661 249 69 SER CA C 56.882 0.072 1 662 249 69 SER CB C 65.762 0.079 1 663 249 69 SER N N 120.263 0.047 1 664 250 70 LYS H H 9.003 0.002 1 665 250 70 LYS HA H 4.711 0.015 1 666 250 70 LYS HB2 H 1.731 0.015 2 667 250 70 LYS HB3 H 2.054 0.015 2 668 250 70 LYS HG2 H 1.494 0.015 2 669 250 70 LYS HG3 H 1.728 0.015 2 670 250 70 LYS HD2 H 1.825 0.015 1 671 250 70 LYS HD3 H 1.825 0.015 1 672 250 70 LYS C C 177.058 0.150 1 673 250 70 LYS CA C 57.316 0.076 1 674 250 70 LYS CB C 33.499 0.037 1 675 250 70 LYS CG C 26.099 0.150 1 676 250 70 LYS CD C 29.355 0.150 1 677 250 70 LYS N N 123.168 0.035 1 678 251 71 ILE H H 7.998 0.001 1 679 251 71 ILE HA H 4.126 0.002 1 680 251 71 ILE HB H 1.729 0.015 1 681 251 71 ILE HG12 H 0.944 0.015 1 682 251 71 ILE HG13 H 1.434 0.015 1 683 251 71 ILE HG2 H 0.905 0.006 1 684 251 71 ILE HD1 H 0.870 0.015 1 685 251 71 ILE C C 174.556 0.150 1 686 251 71 ILE CA C 62.046 0.084 1 687 251 71 ILE CB C 38.404 0.044 1 688 251 71 ILE CG1 C 27.877 0.028 1 689 251 71 ILE CG2 C 17.437 0.074 1 690 251 71 ILE CD1 C 13.721 0.073 1 691 251 71 ILE N N 125.680 0.026 1 692 252 72 ALA H H 8.001 0.002 1 693 252 72 ALA HA H 4.149 0.001 1 694 252 72 ALA HB H 1.337 0.001 1 695 252 72 ALA CA C 53.709 0.070 1 696 252 72 ALA CB C 20.586 0.087 1 697 252 72 ALA N N 133.925 0.023 1 stop_ save_