data_19726 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Protein-RNA structure ; _BMRB_accession_number 19726 _BMRB_flat_file_name bmr19726.str _Entry_type original _Submission_date 2014-01-09 _Accession_date 2014-01-09 _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 Daubner Gerrit M. . 2 Allain Frederic H.T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 residual_dipolar_couplings 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 856 "13C chemical shifts" 386 "15N chemical shifts" 144 "residual dipolar couplings" 36 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-27 original author . stop_ _Original_release_date 2014-05-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural and functional implications of the QUA2 domain on RNA recognition by GLD-1' _Citation_status submitted _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Daubner Gerrit M. . 2 Bruemmer Anneke . . 3 Tocchini Cristina . . 4 Gerhardy Stefan . . 5 Ciosk Rafal . . 6 Zavolan Mihaela . . 7 Allain Frederic H.T. . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'GLD-1 KH-QUA2 bound to 5'-CUACUCAUAU-3'' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'GLD-1 KH-QUA2 bound to 5'-CUACUCAUAU-3'' $GLD-1_(aa_195-336) RNA $5'-CUACUCAUAU-3' 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_GLD-1_(aa_195-336) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GermLine_development_Defective_1 _Molecular_mass 16075.667 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; LPEPAGDMISITEKIYVPKN EYPDYNFVGRILGPRGMTAK QLEQDTGCKIMVRGKGSMRD KSKESAHRGKANWEHLEDDL HVLVQCEDTENRVHIKLQAA LEQVKKLLIPAPEGTDELKR KQLMELAIINGTYRPMKSPN PA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 195 LEU 2 196 PRO 3 197 GLU 4 198 PRO 5 199 ALA 6 200 GLY 7 201 ASP 8 202 MET 9 203 ILE 10 204 SER 11 205 ILE 12 206 THR 13 207 GLU 14 208 LYS 15 209 ILE 16 210 TYR 17 211 VAL 18 212 PRO 19 213 LYS 20 214 ASN 21 215 GLU 22 216 TYR 23 217 PRO 24 218 ASP 25 219 TYR 26 220 ASN 27 221 PHE 28 222 VAL 29 223 GLY 30 224 ARG 31 225 ILE 32 226 LEU 33 227 GLY 34 228 PRO 35 229 ARG 36 230 GLY 37 231 MET 38 232 THR 39 233 ALA 40 234 LYS 41 235 GLN 42 236 LEU 43 237 GLU 44 238 GLN 45 239 ASP 46 240 THR 47 241 GLY 48 242 CYS 49 243 LYS 50 244 ILE 51 245 MET 52 246 VAL 53 247 ARG 54 248 GLY 55 249 LYS 56 250 GLY 57 251 SER 58 252 MET 59 253 ARG 60 254 ASP 61 255 LYS 62 256 SER 63 257 LYS 64 258 GLU 65 259 SER 66 260 ALA 67 261 HIS 68 262 ARG 69 263 GLY 70 264 LYS 71 265 ALA 72 266 ASN 73 267 TRP 74 268 GLU 75 269 HIS 76 270 LEU 77 271 GLU 78 272 ASP 79 273 ASP 80 274 LEU 81 275 HIS 82 276 VAL 83 277 LEU 84 278 VAL 85 279 GLN 86 280 CYS 87 281 GLU 88 282 ASP 89 283 THR 90 284 GLU 91 285 ASN 92 286 ARG 93 287 VAL 94 288 HIS 95 289 ILE 96 290 LYS 97 291 LEU 98 292 GLN 99 293 ALA 100 294 ALA 101 295 LEU 102 296 GLU 103 297 GLN 104 298 VAL 105 299 LYS 106 300 LYS 107 301 LEU 108 302 LEU 109 303 ILE 110 304 PRO 111 305 ALA 112 306 PRO 113 307 GLU 114 308 GLY 115 309 THR 116 310 ASP 117 311 GLU 118 312 LEU 119 313 LYS 120 314 ARG 121 315 LYS 122 316 GLN 123 317 LEU 124 318 MET 125 319 GLU 126 320 LEU 127 321 ALA 128 322 ILE 129 323 ILE 130 324 ASN 131 325 GLY 132 326 THR 133 327 TYR 134 328 ARG 135 329 PRO 136 330 MET 137 331 LYS 138 332 SER 139 333 PRO 140 334 ASN 141 335 PRO 142 336 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2MJH "Solution Structure Of The Gld-1 Rna-binding Domain In Complex With Rna" 100.00 142 100.00 100.00 1.30e-99 PDB 4JVY "Structure Of The Star (signal Transduction And Activation Of Rna) Domain Of Gld-1 Bound To Rna" 100.00 196 100.00 100.00 1.31e-99 EMBL CAB03417 "Female germline-specific tumor suppressor gld-1 [Caenorhabditis elegans]" 100.00 463 100.00 100.00 1.43e-93 GB AAC46632 "female germline-specific tumor suppressor; similar to human GAP-associated tyrosine phosphoprotein p62, PIR Accession Number A3" 100.00 463 100.00 100.00 1.43e-93 GB EFP08647 "CRE-GLD-1 protein [Caenorhabditis remanei]" 100.00 476 97.18 100.00 6.82e-92 PRF 2116296A "tumor suppressor" 100.00 463 100.00 100.00 1.43e-93 REF NP_492143 "Female germline-specific tumor suppressor gld-1 [Caenorhabditis elegans]" 100.00 463 100.00 100.00 1.43e-93 REF XP_003100676 "CRE-GLD-1 protein [Caenorhabditis remanei]" 100.00 476 97.18 100.00 6.82e-92 SP Q17339 "RecName: Full=Female germline-specific tumor suppressor gld-1; AltName: Full=Defective in germ line development protein 1" 100.00 463 100.00 100.00 1.43e-93 stop_ save_ save_5'-CUACUCAUAU-3' _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 5'-CUACUCAUAU-3' _Molecular_mass 3082.892 _Mol_thiol_state 'not present' _Details . _Residue_count 10 _Mol_residue_sequence CUACUCAUAU loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 16 C 2 17 U 3 18 A 4 19 C 5 20 U 6 21 C 7 22 A 8 23 U 9 24 A 10 25 U 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 _Gene_mnemonic $GLD-1_(aa_195-336) . . . . Caenorhabditis elegans 'gld-1, T23G11.3' $5'-CUACUCAUAU-3' . . . . Caenorhabditis elegans 'tra-2, C15F1.3' 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 _Details $GLD-1_(aa_195-336) 'recombinant technology' . Escherichia coli BL21(DE3) pTYB1 'Purification via the IMPACT system (NEB) that results in the protein without any additional residues' $5'-CUACUCAUAU-3' 'obtained from a vendor' . na na . na . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GLD-1_(aa_195-336) 0.45 mM [U-15N] $5'-CUACUCAUAU-3' 0.45 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' DTT 3 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ save_15N_13C _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GLD-1_(aa_195-336) 0.45 mM '[U-13C; U-15N]' $5'-CUACUCAUAU-3' 0.45 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' DTT 3 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ save_15N_(D2O) _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GLD-1_(aa_195-336) 0.45 mM [U-15N] $5'-CUACUCAUAU-3' 0.45 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' DTT 3 mM 'natural abundance' D2O 100 % '[U-100% 2H]' stop_ save_ save_15N_13C_(D2O) _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GLD-1_(aa_195-336) 0.45 mM '[U-13C; U-15N]' $5'-CUACUCAUAU-3' 0.45 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' DTT 3 mM 'natural abundance' D2O 100 % '[U-100% 2H]' stop_ save_ save_15N_13C_(10) _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GLD-1_(aa_195-336) 0.45 mM '[U-10% 13C; U-100% 15N]' $5'-CUACUCAUAU-3' 0.45 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' DTT 3 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ save_15N_(Phage) _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GLD-1_(aa_195-336) 0.45 mM [U-15N] $5'-CUACUCAUAU-3' 0.45 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' DTT 3 mM 'natural abundance' 'Pf1 phage' 14 mg/mL 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version 9 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.114 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version + loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task collection stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version 3.5.4 loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ATNOSCANDID _Saveframe_category software _Name ATNOSCANDID _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_PALES _Saveframe_category software _Name PALES _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Zweckstetter, Hummer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_WhatIF _Saveframe_category software _Name WhatIF _Version 10.1.1 loop_ _Vendor _Address _Electronic_address Vriend . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details Cryo-probe save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details Cryo-probe save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details Cryo-probe save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ save_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details Cryo-probe save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $15N_13C_(D2O) save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $15N_13C save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $15N_13C save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $15N_13C save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $15N_13C save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $15N_13C save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $15N_13C save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $15N_13C save_ save_2D_1H-1H_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $15N_(D2O) save_ save_2D_1H-1H_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $15N_(D2O) save_ save_2D_F1f_F2f_1H-1H_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D F1f F2f 1H-1H NOESY' _Sample_label $15N_(D2O) save_ save_2D_1H-13C_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $15N save_ save_2D_F2f_1H-1H_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D F2f 1H-1H NOESY' _Sample_label $15N_13C_(D2O) save_ save_3D_F1f_F2e_1H-1H_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D F1f F2e 1H-1H NOESY' _Sample_label $15N_13C_(D2O) save_ save_Long-range_1H-15N_HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name 'Long-range 1H-15N HSQC' _Sample_label $15N save_ save_3D_HNHA_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $15N save_ save_2D_1H-15N_IPAP_HSQC_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N IPAP HSQC' _Sample_label $15N_(Phage) save_ save_2D_1H-13C_HSQC_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $15N_13C_(10) 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' 0.17 . M pH 6.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'Referenced via the absolute 1H frequency of DSS' 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_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HN(CA)CO' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '2D F1f F2f 1H-1H NOESY' stop_ loop_ _Sample_label $15N $15N_13C_(D2O) $15N_13C $15N_(D2O) stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RNA _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 1 1 C H1' H 5.974 0.003 1 2 1 1 C H2' H 4.362 0.004 1 3 1 1 C H3' H 4.499 0.004 1 4 1 1 C H4' H 4.226 0.003 1 5 1 1 C H5 H 6.016 0.004 1 6 1 1 C H6 H 7.847 0.001 1 7 2 2 U H1' H 5.984 0.004 1 8 2 2 U H2' H 4.274 0.001 1 9 2 2 U H4' H 4.146 0.003 1 10 2 2 U H5 H 5.781 0.003 1 11 2 2 U H5' H 3.915 0.001 2 12 2 2 U H5'' H 3.999 0.003 2 13 2 2 U H6 H 7.859 0.005 1 14 3 3 A H1' H 6.165 0.005 1 15 3 3 A H2 H 8.095 0.003 1 16 3 3 A H2' H 4.183 0.001 1 17 3 3 A H3' H 4.062 0.007 1 18 3 3 A H4' H 4.899 0.002 1 19 3 3 A H8 H 8.244 0.002 1 20 4 4 C H1' H 6.209 0.002 1 21 4 4 C H2' H 4.469 0.001 1 22 4 4 C H3' H 4.876 0.004 1 23 4 4 C H4' H 4.307 0.002 1 24 4 4 C H5 H 6.623 0.001 1 25 4 4 C H6 H 7.983 0.002 1 26 5 5 U H1' H 5.674 0.004 1 27 5 5 U H2' H 3.832 0.010 1 28 5 5 U H3' H 4.454 0.004 1 29 5 5 U H4' H 4.406 0.000 1 30 5 5 U H5 H 5.975 0.002 1 31 5 5 U H6 H 7.816 0.009 1 32 6 6 C H1' H 6.088 0.001 1 33 6 6 C H2' H 4.283 0.006 1 34 6 6 C H3' H 4.959 0.002 1 35 6 6 C H4' H 4.402 0.000 1 36 6 6 C H5 H 6.251 0.004 1 37 6 6 C H6 H 7.820 0.005 1 38 7 7 A H1' H 5.727 0.005 1 39 7 7 A H2 H 8.589 0.003 1 40 7 7 A H2' H 5.033 0.003 1 41 7 7 A H3' H 4.628 0.000 1 42 7 7 A H4' H 4.400 0.000 1 43 7 7 A H8 H 8.551 0.003 1 44 8 8 U H1' H 4.841 0.003 1 45 8 8 U H2' H 4.407 0.003 1 46 8 8 U H3' H 3.673 0.004 1 47 8 8 U H5 H 5.744 0.004 1 48 8 8 U H6 H 7.520 0.002 1 49 9 9 A H1' H 5.971 0.004 1 50 9 9 A H2 H 7.974 0.001 1 51 9 9 A H2' H 4.599 0.003 1 52 9 9 A H3' H 4.406 0.000 1 53 9 9 A H8 H 8.283 0.003 1 54 10 10 U H1' H 5.780 0.002 1 55 10 10 U H2' H 4.094 0.002 1 56 10 10 U H3' H 4.215 0.001 1 57 10 10 U H4' H 4.177 0.005 1 58 10 10 U H5 H 5.674 0.003 1 59 10 10 U H6 H 7.717 0.002 1 stop_ save_ save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HN(CA)CO' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '2D F1f F2f 1H-1H NOESY' stop_ loop_ _Sample_label $15N $15N_13C_(D2O) $15N_13C $15N_(D2O) stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'GLD-1 KH-QUA2 bound to 5'-CUACUCAUAU-3'' _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 2 2 PRO HA H 4.520 0.001 1 2 2 2 PRO HB2 H 1.857 0.003 2 3 2 2 PRO HB3 H 2.279 0.002 2 4 2 2 PRO HG2 H 2.029 0.000 1 5 2 2 PRO HG3 H 2.029 0.000 1 6 2 2 PRO HD2 H 3.476 0.000 2 7 2 2 PRO HD3 H 3.861 0.000 2 8 2 2 PRO CA C 59.450 0.015 1 9 2 2 PRO CB C 29.740 0.014 1 10 2 2 PRO CD C 47.803 0.013 1 11 3 3 GLU H H 8.420 0.003 1 12 3 3 GLU HA H 4.403 0.003 1 13 3 3 GLU HB2 H 1.866 0.001 2 14 3 3 GLU HB3 H 2.047 0.000 2 15 3 3 GLU HG2 H 2.352 0.000 2 16 3 3 GLU HG3 H 2.393 0.000 2 17 3 3 GLU CA C 52.272 0.028 1 18 3 3 GLU CB C 26.014 0.006 1 19 3 3 GLU CG C 33.493 0.030 1 20 3 3 GLU N N 120.775 0.012 1 21 4 4 PRO HA H 4.293 0.000 1 22 4 4 PRO HB2 H 2.341 0.004 1 23 4 4 PRO HB3 H 2.341 0.004 1 24 4 4 PRO HD2 H 3.746 0.004 1 25 4 4 PRO HD3 H 3.746 0.004 1 26 4 4 PRO CA C 61.523 0.004 1 27 4 4 PRO CB C 29.844 0.000 1 28 4 4 PRO CD C 48.231 0.000 1 29 5 5 ALA H H 7.598 0.005 1 30 5 5 ALA HA H 4.548 0.002 1 31 5 5 ALA HB H 1.345 0.001 1 32 5 5 ALA CA C 49.701 0.000 1 33 5 5 ALA CB C 18.693 0.000 1 34 5 5 ALA N N 123.905 0.009 1 35 6 6 GLY H H 8.490 0.002 1 36 6 6 GLY HA2 H 3.831 0.001 2 37 6 6 GLY HA3 H 4.287 0.001 2 38 6 6 GLY CA C 41.807 0.002 1 39 6 6 GLY N N 109.462 0.008 1 40 7 7 ASP H H 8.568 0.001 1 41 7 7 ASP HA H 4.594 0.001 1 42 7 7 ASP HB2 H 2.493 0.002 2 43 7 7 ASP HB3 H 2.672 0.001 2 44 7 7 ASP CA C 51.689 0.007 1 45 7 7 ASP CB C 39.128 0.002 1 46 7 7 ASP N N 119.091 0.004 1 47 8 8 MET H H 8.448 0.004 1 48 8 8 MET HA H 4.245 0.004 1 49 8 8 MET HB2 H 1.783 0.005 2 50 8 8 MET HB3 H 1.989 0.002 2 51 8 8 MET HE H 2.027 0.000 1 52 8 8 MET CA C 53.090 0.000 1 53 8 8 MET CB C 30.395 0.011 1 54 8 8 MET CE C 14.467 0.000 1 55 8 8 MET N N 119.572 0.006 1 56 9 9 ILE H H 8.761 0.006 1 57 9 9 ILE HA H 4.514 0.002 1 58 9 9 ILE HB H 1.907 0.000 1 59 9 9 ILE HG12 H 1.230 0.003 2 60 9 9 ILE HG13 H 1.441 0.002 2 61 9 9 ILE HG2 H 0.927 0.001 1 62 9 9 ILE HD1 H 0.910 0.002 1 63 9 9 ILE CA C 57.199 0.037 1 64 9 9 ILE CB C 38.868 0.000 1 65 9 9 ILE CG1 C 24.074 0.010 1 66 9 9 ILE CG2 C 14.981 0.017 1 67 9 9 ILE CD1 C 10.674 0.000 1 68 9 9 ILE N N 123.952 0.020 1 69 10 10 SER H H 8.031 0.003 1 70 10 10 SER HA H 5.443 0.018 1 71 10 10 SER HB2 H 3.572 0.000 2 72 10 10 SER HB3 H 3.692 0.001 2 73 10 10 SER CA C 53.196 0.000 1 74 10 10 SER CB C 61.597 0.003 1 75 10 10 SER N N 116.306 0.005 1 76 11 11 ILE H H 8.885 0.003 1 77 11 11 ILE HA H 4.587 0.002 1 78 11 11 ILE HB H 1.672 0.002 1 79 11 11 ILE HG12 H 1.328 0.000 1 80 11 11 ILE HG13 H 1.328 0.000 1 81 11 11 ILE HG2 H 0.877 0.000 1 82 11 11 ILE HD1 H 0.673 0.002 1 83 11 11 ILE CA C 57.379 0.000 1 84 11 11 ILE CG1 C 24.045 0.000 1 85 11 11 ILE CG2 C 15.535 0.002 1 86 11 11 ILE CD1 C 11.317 0.000 1 87 11 11 ILE N N 126.202 0.006 1 88 12 12 THR H H 8.191 0.005 1 89 12 12 THR HA H 5.401 0.003 1 90 12 12 THR HB H 3.877 0.001 1 91 12 12 THR HG2 H 1.054 0.003 1 92 12 12 THR CA C 57.951 0.000 1 93 12 12 THR CB C 69.033 0.000 1 94 12 12 THR CG2 C 19.598 0.000 1 95 12 12 THR N N 117.531 0.003 1 96 13 13 GLU H H 9.087 0.003 1 97 13 13 GLU HA H 4.665 0.000 1 98 13 13 GLU HB2 H 1.922 0.000 2 99 13 13 GLU HB3 H 1.803 0.000 2 100 13 13 GLU HG2 H 2.243 0.001 1 101 13 13 GLU HG3 H 2.243 0.001 1 102 13 13 GLU CA C 52.426 0.000 1 103 13 13 GLU CB C 31.341 0.027 1 104 13 13 GLU CG C 33.304 0.008 1 105 13 13 GLU N N 125.429 0.006 1 106 14 14 LYS H H 8.512 0.005 1 107 14 14 LYS HA H 5.125 0.004 1 108 14 14 LYS HB2 H 1.334 0.002 1 109 14 14 LYS HB3 H 1.334 0.002 1 110 14 14 LYS HG2 H 0.580 0.002 1 111 14 14 LYS HG3 H 0.580 0.002 1 112 14 14 LYS HD2 H 0.874 0.000 1 113 14 14 LYS HD3 H 0.874 0.000 1 114 14 14 LYS HE2 H 2.120 0.000 2 115 14 14 LYS HE3 H 2.217 0.000 2 116 14 14 LYS CA C 52.331 0.000 1 117 14 14 LYS CB C 32.992 0.000 1 118 14 14 LYS CG C 22.166 0.005 1 119 14 14 LYS CD C 27.000 0.000 1 120 14 14 LYS CE C 38.366 0.003 1 121 14 14 LYS N N 123.082 0.005 1 122 15 15 ILE H H 9.013 0.008 1 123 15 15 ILE HA H 4.402 0.000 1 124 15 15 ILE HB H 1.615 0.001 1 125 15 15 ILE HG12 H 1.417 0.001 1 126 15 15 ILE HG13 H 1.417 0.001 1 127 15 15 ILE HG2 H 0.816 0.000 1 128 15 15 ILE HD1 H 0.800 0.002 1 129 15 15 ILE CA C 56.865 0.000 1 130 15 15 ILE CB C 38.232 0.000 1 131 15 15 ILE CG1 C 24.387 0.000 1 132 15 15 ILE CG2 C 15.341 0.000 1 133 15 15 ILE CD1 C 12.058 0.000 1 134 15 15 ILE N N 125.011 0.000 1 135 16 16 TYR H H 9.007 0.000 1 136 16 16 TYR HA H 4.409 0.003 1 137 16 16 TYR HB2 H 3.035 0.000 2 138 16 16 TYR HB3 H 2.776 0.007 2 139 16 16 TYR HD1 H 7.217 0.005 1 140 16 16 TYR HD2 H 7.217 0.005 1 141 16 16 TYR HE1 H 6.788 0.005 1 142 16 16 TYR HE2 H 6.788 0.005 1 143 16 16 TYR CA C 58.038 0.000 1 144 16 16 TYR CB C 35.578 0.024 1 145 16 16 TYR CD1 C 130.554 0.011 3 146 16 16 TYR CE1 C 115.270 0.000 3 147 16 16 TYR N N 126.042 0.005 1 148 17 17 VAL H H 7.831 0.001 1 149 17 17 VAL HA H 3.972 0.005 1 150 17 17 VAL HB H 1.577 0.003 1 151 17 17 VAL HG1 H 0.336 0.002 1 152 17 17 VAL HG2 H 0.653 0.003 1 153 17 17 VAL CA C 56.961 0.000 1 154 17 17 VAL CB C 30.205 0.000 1 155 17 17 VAL CG1 C 18.282 0.000 1 156 17 17 VAL CG2 C 18.902 0.000 1 157 17 17 VAL N N 122.127 0.017 1 158 18 18 PRO HA H 5.042 0.001 1 159 18 18 PRO HB2 H 2.645 0.003 1 160 18 18 PRO HB3 H 2.645 0.003 1 161 18 18 PRO HD2 H 2.956 0.006 2 162 18 18 PRO HD3 H 3.689 0.000 2 163 18 18 PRO CA C 60.929 0.000 1 164 18 18 PRO CB C 25.418 0.000 1 165 18 18 PRO CD C 48.677 0.025 1 166 19 19 LYS H H 8.568 0.005 1 167 19 19 LYS HA H 4.243 0.007 1 168 19 19 LYS HB2 H 1.863 0.001 2 169 19 19 LYS HB3 H 1.940 0.004 2 170 19 19 LYS HG2 H 1.614 0.002 1 171 19 19 LYS HG3 H 1.614 0.002 1 172 19 19 LYS HE2 H 3.189 0.001 1 173 19 19 LYS HE3 H 3.189 0.001 1 174 19 19 LYS CA C 55.431 0.000 1 175 19 19 LYS CB C 30.209 0.065 1 176 19 19 LYS CG C 21.665 0.000 1 177 19 19 LYS CE C 39.516 0.000 1 178 19 19 LYS N N 124.972 0.009 1 179 20 20 ASN H H 8.696 0.000 1 180 20 20 ASN HA H 4.461 0.002 1 181 20 20 ASN HB2 H 2.776 0.001 1 182 20 20 ASN HB3 H 2.776 0.001 1 183 20 20 ASN HD21 H 7.656 0.000 2 184 20 20 ASN HD22 H 6.996 0.000 2 185 20 20 ASN CA C 52.661 0.000 1 186 20 20 ASN CB C 35.061 0.000 1 187 20 20 ASN N N 115.132 0.002 1 188 20 20 ASN ND2 N 113.731 0.003 1 189 21 21 GLU H H 7.708 0.005 1 190 21 21 GLU HA H 3.974 0.000 1 191 21 21 GLU HB2 H 1.904 0.001 2 192 21 21 GLU HB3 H 1.563 0.003 2 193 21 21 GLU HG2 H 2.050 0.008 1 194 21 21 GLU HG3 H 2.050 0.008 1 195 21 21 GLU CA C 55.537 0.000 1 196 21 21 GLU CB C 28.048 0.008 1 197 21 21 GLU CG C 34.242 0.000 1 198 21 21 GLU N N 118.788 0.005 1 199 22 22 TYR H H 7.333 0.005 1 200 22 22 TYR HA H 5.075 0.001 1 201 22 22 TYR HB2 H 3.053 0.002 2 202 22 22 TYR HB3 H 3.186 0.000 2 203 22 22 TYR HD1 H 7.324 0.004 1 204 22 22 TYR HD2 H 7.324 0.004 1 205 22 22 TYR HE1 H 6.839 0.004 1 206 22 22 TYR HE2 H 6.839 0.004 1 207 22 22 TYR CA C 52.336 0.000 1 208 22 22 TYR CB C 36.207 0.037 1 209 22 22 TYR CD1 C 131.644 0.031 3 210 22 22 TYR CE1 C 115.283 0.000 3 211 22 22 TYR N N 115.941 0.006 1 212 23 23 PRO HA H 4.723 0.000 1 213 23 23 PRO HB2 H 2.395 0.004 1 214 23 23 PRO HB3 H 2.395 0.004 1 215 23 23 PRO HG2 H 2.012 0.000 1 216 23 23 PRO HG3 H 2.012 0.000 1 217 23 23 PRO HD2 H 3.349 0.003 2 218 23 23 PRO HD3 H 3.648 0.003 2 219 23 23 PRO CB C 29.600 0.026 1 220 23 23 PRO CD C 47.574 0.003 1 221 24 24 ASP H H 8.612 0.005 1 222 24 24 ASP HA H 4.806 0.000 1 223 24 24 ASP HB2 H 2.651 0.000 2 224 24 24 ASP HB3 H 2.828 0.000 2 225 24 24 ASP CB C 38.614 0.004 1 226 24 24 ASP N N 116.369 0.002 1 227 25 25 TYR H H 7.482 0.000 1 228 25 25 TYR HA H 4.200 0.004 1 229 25 25 TYR HB2 H 2.464 0.005 2 230 25 25 TYR HB3 H 2.750 0.005 2 231 25 25 TYR HD1 H 5.878 0.005 1 232 25 25 TYR HD2 H 5.878 0.005 1 233 25 25 TYR HE1 H 6.462 0.002 1 234 25 25 TYR HE2 H 6.462 0.002 1 235 25 25 TYR CA C 55.811 0.000 1 236 25 25 TYR CB C 37.281 0.035 1 237 25 25 TYR CD1 C 130.534 0.050 3 238 25 25 TYR CE1 C 114.936 0.136 3 239 25 25 TYR N N 122.283 0.009 1 240 26 26 ASN H H 8.305 0.000 1 241 26 26 ASN HA H 4.665 0.002 1 242 26 26 ASN HB2 H 2.625 0.005 2 243 26 26 ASN HB3 H 3.331 0.006 2 244 26 26 ASN HD21 H 7.095 0.000 2 245 26 26 ASN HD22 H 8.316 0.004 2 246 26 26 ASN CA C 48.256 0.000 1 247 26 26 ASN CB C 33.860 0.001 1 248 26 26 ASN N N 126.813 0.003 1 249 26 26 ASN ND2 N 113.745 0.020 1 250 27 27 PHE H H 8.037 0.001 1 251 27 27 PHE HA H 4.009 0.002 1 252 27 27 PHE HB2 H 2.851 0.005 1 253 27 27 PHE HB3 H 2.851 0.005 1 254 27 27 PHE HD1 H 7.407 0.007 1 255 27 27 PHE HD2 H 7.407 0.007 1 256 27 27 PHE HE1 H 7.033 0.004 1 257 27 27 PHE HE2 H 7.033 0.004 1 258 27 27 PHE CA C 59.829 0.000 1 259 27 27 PHE CD1 C 129.445 0.000 3 260 27 27 PHE CE1 C 127.350 0.000 3 261 27 27 PHE N N 124.085 0.005 1 262 28 28 VAL H H 8.198 0.004 1 263 28 28 VAL HA H 3.094 0.001 1 264 28 28 VAL HB H 1.886 0.003 1 265 28 28 VAL HG1 H 0.574 0.002 1 266 28 28 VAL HG2 H 1.010 0.000 1 267 28 28 VAL CA C 65.205 0.000 1 268 28 28 VAL CB C 29.151 0.000 1 269 28 28 VAL CG1 C 19.565 0.005 1 270 28 28 VAL CG2 C 21.016 0.000 1 271 28 28 VAL N N 116.566 0.002 1 272 29 29 GLY H H 7.674 0.000 1 273 29 29 GLY HA2 H 3.145 0.004 2 274 29 29 GLY HA3 H 3.510 0.004 2 275 29 29 GLY CA C 43.339 0.012 1 276 29 29 GLY N N 102.649 0.006 1 277 30 30 ARG H H 6.626 0.001 1 278 30 30 ARG HA H 4.188 0.002 1 279 30 30 ARG HB2 H 1.974 0.003 2 280 30 30 ARG HB3 H 1.786 0.007 2 281 30 30 ARG HG2 H 1.569 0.005 1 282 30 30 ARG HG3 H 1.569 0.005 1 283 30 30 ARG HD2 H 3.068 0.006 1 284 30 30 ARG HD3 H 3.068 0.006 1 285 30 30 ARG HE H 8.092 0.004 1 286 30 30 ARG CA C 54.847 0.000 1 287 30 30 ARG N N 119.227 0.010 1 288 30 30 ARG NE N 85.159 0.020 1 289 31 31 ILE H H 7.353 0.004 1 290 31 31 ILE HA H 3.611 0.001 1 291 31 31 ILE HB H 1.423 0.004 1 292 31 31 ILE HG12 H 1.745 0.000 1 293 31 31 ILE HG13 H 1.745 0.000 1 294 31 31 ILE HG2 H 0.490 0.000 1 295 31 31 ILE HD1 H 0.593 0.001 1 296 31 31 ILE CA C 60.810 0.000 1 297 31 31 ILE CB C 36.034 0.000 1 298 31 31 ILE CG1 C 26.686 0.000 1 299 31 31 ILE CG2 C 13.585 0.000 1 300 31 31 ILE CD1 C 11.079 0.000 1 301 31 31 ILE N N 116.401 0.011 1 302 32 32 LEU H H 7.466 0.000 1 303 32 32 LEU HA H 3.817 0.001 1 304 32 32 LEU HB2 H 0.657 0.000 1 305 32 32 LEU HB3 H 0.657 0.000 1 306 32 32 LEU HG H 1.444 0.004 1 307 32 32 LEU HD1 H -0.356 0.002 1 308 32 32 LEU HD2 H -0.548 0.001 1 309 32 32 LEU CA C 54.884 0.000 1 310 32 32 LEU CB C 38.696 0.000 1 311 32 32 LEU CG C 22.899 0.000 1 312 32 32 LEU CD1 C 23.090 0.000 1 313 32 32 LEU CD2 C 19.563 0.000 1 314 32 32 LEU N N 113.863 0.006 1 315 33 33 GLY H H 7.998 0.008 1 316 33 33 GLY HA2 H 4.240 0.002 1 317 33 33 GLY HA3 H 4.240 0.002 1 318 33 33 GLY CA C 41.976 0.000 1 319 33 33 GLY N N 105.825 0.003 1 320 34 34 PRO HA H 4.587 0.004 1 321 34 34 PRO HB2 H 1.955 0.002 1 322 34 34 PRO HB3 H 1.955 0.002 1 323 34 34 PRO HG2 H 2.355 0.000 2 324 34 34 PRO HG3 H 2.077 0.006 2 325 34 34 PRO HD2 H 3.627 0.007 2 326 34 34 PRO HD3 H 3.820 0.005 2 327 34 34 PRO CA C 60.393 0.042 1 328 34 34 PRO CB C 28.263 0.000 1 329 34 34 PRO CG C 25.963 0.005 1 330 34 34 PRO CD C 46.630 0.017 1 331 35 35 ARG H H 11.042 0.003 1 332 35 35 ARG HA H 4.157 0.004 1 333 35 35 ARG HB2 H 2.089 0.002 1 334 35 35 ARG HB3 H 2.089 0.002 1 335 35 35 ARG HG2 H 1.685 0.004 1 336 35 35 ARG HG3 H 1.685 0.004 1 337 35 35 ARG HD2 H 3.183 0.003 2 338 35 35 ARG HD3 H 3.386 0.003 2 339 35 35 ARG HE H 7.348 0.003 1 340 35 35 ARG CA C 53.711 0.000 1 341 35 35 ARG CG C 24.837 0.082 1 342 35 35 ARG CD C 40.510 0.047 1 343 35 35 ARG N N 122.741 0.023 1 344 35 35 ARG NE N 85.473 0.043 1 345 36 36 GLY H H 7.963 0.006 1 346 36 36 GLY HA2 H 3.557 0.006 2 347 36 36 GLY HA3 H 4.178 0.001 2 348 36 36 GLY CA C 43.870 0.007 1 349 36 36 GLY N N 105.308 0.005 1 350 37 37 MET H H 8.273 0.004 1 351 37 37 MET HA H 4.060 0.000 1 352 37 37 MET HB2 H 2.107 0.000 2 353 37 37 MET HB3 H 2.249 0.000 2 354 37 37 MET HG2 H 2.724 0.001 1 355 37 37 MET HG3 H 2.724 0.001 1 356 37 37 MET HE H 2.069 0.001 1 357 37 37 MET CB C 30.186 0.013 1 358 37 37 MET CE C 13.746 0.015 1 359 37 37 MET N N 115.436 0.005 1 360 38 38 THR H H 8.243 0.004 1 361 38 38 THR HA H 4.064 0.000 1 362 38 38 THR HB H 3.545 0.002 1 363 38 38 THR HG2 H 1.192 0.001 1 364 38 38 THR CA C 64.205 0.000 1 365 38 38 THR CB C 64.934 0.000 1 366 38 38 THR CG2 C 19.519 0.000 1 367 38 38 THR N N 120.097 0.009 1 368 39 39 ALA H H 7.596 0.004 1 369 39 39 ALA HA H 3.983 0.002 1 370 39 39 ALA HB H 1.509 0.000 1 371 39 39 ALA CA C 53.223 0.000 1 372 39 39 ALA CB C 15.405 0.000 1 373 39 39 ALA N N 128.050 0.002 1 374 40 40 LYS H H 8.600 0.004 1 375 40 40 LYS HA H 4.178 0.000 1 376 40 40 LYS N N 116.387 0.007 1 377 41 41 GLN H H 8.021 0.001 1 378 41 41 GLN HA H 3.995 0.000 1 379 41 41 GLN HB2 H 2.309 0.001 1 380 41 41 GLN HB3 H 2.309 0.001 1 381 41 41 GLN CA C 56.028 0.000 1 382 41 41 GLN CB C 25.560 0.000 1 383 41 41 GLN N N 120.486 0.001 1 384 42 42 LEU H H 7.971 0.008 1 385 42 42 LEU HA H 4.255 0.002 1 386 42 42 LEU HB2 H 1.658 0.004 2 387 42 42 LEU HB3 H 1.861 0.001 2 388 42 42 LEU HD1 H 0.854 0.000 2 389 42 42 LEU HD2 H 0.801 0.000 2 390 42 42 LEU CA C 55.757 0.000 1 391 42 42 LEU CB C 39.622 0.001 1 392 42 42 LEU CD1 C 22.564 0.000 2 393 42 42 LEU CD2 C 22.150 0.000 2 394 42 42 LEU N N 121.862 0.004 1 395 43 43 GLU H H 8.571 0.007 1 396 43 43 GLU HA H 4.174 0.000 1 397 43 43 GLU HB2 H 2.395 0.006 1 398 43 43 GLU HB3 H 2.395 0.006 1 399 43 43 GLU HG2 H 2.808 0.001 1 400 43 43 GLU HG3 H 2.808 0.001 1 401 43 43 GLU CA C 57.396 0.000 1 402 43 43 GLU CB C 27.425 0.000 1 403 43 43 GLU CG C 34.645 0.000 1 404 43 43 GLU N N 122.004 0.007 1 405 44 44 GLN H H 8.168 0.002 1 406 44 44 GLN HA H 4.060 0.001 1 407 44 44 GLN HB2 H 2.244 0.008 1 408 44 44 GLN HB3 H 2.244 0.008 1 409 44 44 GLN HG2 H 2.494 0.006 1 410 44 44 GLN HG3 H 2.494 0.006 1 411 44 44 GLN HE21 H 6.769 0.000 2 412 44 44 GLN HE22 H 7.864 0.002 2 413 44 44 GLN CA C 56.174 0.000 1 414 44 44 GLN CB C 25.974 0.000 1 415 44 44 GLN CG C 31.453 0.000 1 416 44 44 GLN N N 120.043 0.004 1 417 44 44 GLN NE2 N 114.690 0.001 1 418 45 45 ASP H H 8.830 0.006 1 419 45 45 ASP HA H 4.489 0.004 1 420 45 45 ASP HB2 H 2.744 0.001 2 421 45 45 ASP HB3 H 2.845 0.002 2 422 45 45 ASP CA C 54.491 0.000 1 423 45 45 ASP CB C 38.590 0.011 1 424 45 45 ASP N N 118.520 0.005 1 425 46 46 THR H H 7.927 0.003 1 426 46 46 THR HA H 4.462 0.000 1 427 46 46 THR HB H 4.333 0.000 1 428 46 46 THR HG2 H 1.246 0.001 1 429 46 46 THR CA C 59.548 0.000 1 430 46 46 THR CB C 70.045 0.000 1 431 46 46 THR CG2 C 18.811 0.000 1 432 46 46 THR N N 105.737 0.006 1 433 47 47 GLY H H 8.273 0.006 1 434 47 47 GLY HA2 H 4.034 0.002 1 435 47 47 GLY HA3 H 4.034 0.002 1 436 47 47 GLY CA C 43.996 0.000 1 437 47 47 GLY N N 111.220 0.000 1 438 48 48 CYS H H 7.609 0.003 1 439 48 48 CYS HA H 4.975 0.003 1 440 48 48 CYS HB2 H 2.554 0.000 2 441 48 48 CYS HB3 H 2.636 0.000 2 442 48 48 CYS CA C 55.698 0.008 1 443 48 48 CYS N N 117.075 0.007 1 444 49 49 LYS H H 8.800 0.003 1 445 49 49 LYS HA H 4.628 0.000 1 446 49 49 LYS HB2 H 1.622 0.002 2 447 49 49 LYS HB3 H 1.756 0.008 2 448 49 49 LYS HG2 H 1.266 0.004 1 449 49 49 LYS HG3 H 1.266 0.004 1 450 49 49 LYS CA C 52.337 0.000 1 451 49 49 LYS CB C 32.166 0.025 1 452 49 49 LYS N N 120.980 0.006 1 453 50 50 ILE H H 9.368 0.009 1 454 50 50 ILE HA H 4.893 0.002 1 455 50 50 ILE HB H 1.779 0.000 1 456 50 50 ILE HG12 H 1.382 0.001 1 457 50 50 ILE HG13 H 1.382 0.001 1 458 50 50 ILE HG2 H 0.622 0.000 1 459 50 50 ILE HD1 H 0.636 0.000 1 460 50 50 ILE CB C 37.021 0.000 1 461 50 50 ILE CG1 C 24.627 0.000 1 462 50 50 ILE CG2 C 13.990 0.000 1 463 50 50 ILE CD1 C 10.227 0.000 1 464 50 50 ILE N N 124.101 0.031 1 465 51 51 MET H H 8.938 0.004 1 466 51 51 MET HA H 4.895 0.003 1 467 51 51 MET HG2 H 2.063 0.005 2 468 51 51 MET HG3 H 2.563 0.002 2 469 51 51 MET HE H 1.768 0.004 1 470 51 51 MET CA C 56.592 0.000 1 471 51 51 MET CG C 29.900 0.043 1 472 51 51 MET CE C 15.014 0.000 1 473 51 51 MET N N 124.778 0.020 1 474 52 52 VAL H H 10.519 0.001 1 475 52 52 VAL HA H 4.519 0.005 1 476 52 52 VAL HB H 2.033 0.003 1 477 52 52 VAL HG1 H 0.794 0.001 1 478 52 52 VAL HG2 H 0.599 0.001 1 479 52 52 VAL CA C 60.826 0.000 1 480 52 52 VAL CB C 27.942 0.000 1 481 52 52 VAL CG1 C 19.332 0.000 1 482 52 52 VAL CG2 C 18.870 0.000 1 483 52 52 VAL N N 128.323 0.006 1 484 53 53 ARG H H 8.823 0.005 1 485 53 53 ARG HA H 4.564 0.006 1 486 53 53 ARG HB2 H 0.794 0.002 1 487 53 53 ARG HB3 H 0.794 0.002 1 488 53 53 ARG HE H 7.014 0.001 1 489 53 53 ARG CA C 50.885 0.000 1 490 53 53 ARG N N 131.251 0.006 1 491 53 53 ARG NE N 84.953 0.029 1 492 54 54 GLY H H 9.651 0.017 1 493 54 54 GLY HA3 H 4.356 0.002 2 494 54 54 GLY CA C 40.579 0.000 1 495 55 55 LYS H H 9.021 0.005 1 496 55 55 LYS HA H 4.175 0.001 1 497 55 55 LYS HB2 H 1.935 0.004 2 498 55 55 LYS HB3 H 1.986 0.004 2 499 55 55 LYS HG2 H 1.655 0.000 1 500 55 55 LYS HG3 H 1.655 0.000 1 501 55 55 LYS HE2 H 3.007 0.000 1 502 55 55 LYS HE3 H 3.007 0.000 1 503 55 55 LYS CA C 56.147 0.000 1 504 55 55 LYS CB C 30.081 0.017 1 505 55 55 LYS CG C 22.196 0.000 1 506 55 55 LYS N N 121.902 0.018 1 507 56 56 GLY H H 9.642 0.000 1 508 56 56 GLY HA2 H 3.923 0.002 2 509 56 56 GLY HA3 H 4.340 0.000 2 510 56 56 GLY CA C 42.573 0.000 1 511 57 57 SER H H 8.394 0.001 1 512 57 57 SER HA H 4.010 0.000 1 513 57 57 SER HB2 H 3.501 0.005 2 514 57 57 SER HB3 H 3.832 0.003 2 515 57 57 SER CA C 57.346 0.000 1 516 57 57 SER CB C 60.867 0.004 1 517 57 57 SER N N 114.341 0.012 1 518 58 58 MET H H 8.069 0.001 1 519 58 58 MET HA H 4.912 0.002 1 520 58 58 MET HB2 H 2.180 0.001 1 521 58 58 MET HB3 H 2.180 0.001 1 522 58 58 MET HG2 H 2.690 0.003 1 523 58 58 MET HG3 H 2.690 0.003 1 524 58 58 MET HE H 2.042 0.001 1 525 58 58 MET CA C 52.648 0.000 1 526 58 58 MET CB C 31.516 0.000 1 527 58 58 MET CG C 29.545 0.000 1 528 58 58 MET CE C 14.785 0.000 1 529 58 58 MET N N 120.894 0.016 1 530 59 59 ARG H H 8.603 0.004 1 531 59 59 ARG HA H 4.161 0.002 1 532 59 59 ARG HB2 H 1.825 0.002 1 533 59 59 ARG HB3 H 1.825 0.002 1 534 59 59 ARG HG2 H 1.648 0.004 1 535 59 59 ARG HG3 H 1.648 0.004 1 536 59 59 ARG HD2 H 3.026 0.000 2 537 59 59 ARG HD3 H 3.061 0.005 2 538 59 59 ARG HE H 7.128 0.000 1 539 59 59 ARG CA C 55.130 0.000 1 540 59 59 ARG CB C 27.905 0.000 1 541 59 59 ARG CG C 23.973 0.000 1 542 59 59 ARG CD C 41.038 0.030 1 543 59 59 ARG N N 123.655 0.003 1 544 59 59 ARG NE N 84.974 0.000 1 545 60 60 ASP H H 8.131 0.003 1 546 60 60 ASP HB2 H 2.593 0.004 2 547 60 60 ASP HB3 H 2.878 0.003 2 548 60 60 ASP CB C 38.398 0.016 1 549 60 60 ASP N N 118.471 0.001 1 550 61 61 LYS H H 8.484 0.001 1 551 61 61 LYS HA H 4.215 0.005 1 552 61 61 LYS HB2 H 1.867 0.002 2 553 61 61 LYS HB3 H 1.950 0.002 2 554 61 61 LYS HG2 H 1.568 0.001 1 555 61 61 LYS HG3 H 1.568 0.001 1 556 61 61 LYS HD2 H 1.726 0.000 1 557 61 61 LYS HD3 H 1.726 0.000 1 558 61 61 LYS HE2 H 3.059 0.004 1 559 61 61 LYS HE3 H 3.059 0.004 1 560 61 61 LYS CA C 55.313 0.000 1 561 61 61 LYS CB C 29.873 0.066 1 562 61 61 LYS CE C 39.622 0.001 1 563 61 61 LYS N N 124.590 0.031 1 564 62 62 SER H H 8.425 0.005 1 565 62 62 SER HA H 4.335 0.000 1 566 62 62 SER HB2 H 3.961 0.009 1 567 62 62 SER HB3 H 3.961 0.009 1 568 62 62 SER CA C 57.958 0.000 1 569 62 62 SER CB C 60.238 0.000 1 570 62 62 SER N N 116.799 0.003 1 571 63 63 LYS H H 7.896 0.005 1 572 63 63 LYS HA H 4.135 0.004 1 573 63 63 LYS HB2 H 1.853 0.003 1 574 63 63 LYS HB3 H 1.853 0.003 1 575 63 63 LYS HG2 H 1.275 0.000 2 576 63 63 LYS HG3 H 1.470 0.006 2 577 63 63 LYS HE2 H 2.586 0.001 2 578 63 63 LYS HE3 H 2.890 0.002 2 579 63 63 LYS CA C 55.503 0.000 1 580 63 63 LYS CB C 30.002 0.028 1 581 63 63 LYS CG C 22.737 0.066 1 582 63 63 LYS CE C 38.441 0.015 1 583 63 63 LYS N N 123.862 0.015 1 584 64 64 GLU H H 8.088 0.001 1 585 64 64 GLU HA H 4.039 0.003 1 586 64 64 GLU HB2 H 2.151 0.002 1 587 64 64 GLU HB3 H 2.151 0.002 1 588 64 64 GLU HG2 H 2.238 0.002 2 589 64 64 GLU HG3 H 2.384 0.000 2 590 64 64 GLU CB C 27.541 0.021 1 591 64 64 GLU CG C 34.715 0.012 1 592 64 64 GLU N N 121.213 0.014 1 593 65 65 SER H H 8.088 0.004 1 594 65 65 SER HA H 4.180 0.001 1 595 65 65 SER HB2 H 3.913 0.000 2 596 65 65 SER HB3 H 3.958 0.000 2 597 65 65 SER CA C 57.840 0.000 1 598 65 65 SER CB C 60.505 0.006 1 599 65 65 SER N N 113.805 0.000 1 600 66 66 ALA H H 7.727 0.002 1 601 66 66 ALA HA H 4.139 0.002 1 602 66 66 ALA HB H 1.256 0.001 1 603 66 66 ALA CA C 50.798 0.000 1 604 66 66 ALA CB C 15.881 0.000 1 605 66 66 ALA N N 122.760 0.012 1 606 67 67 HIS HD2 H 6.238 0.008 1 607 67 67 HIS HE1 H 7.897 0.000 1 608 67 67 HIS CD2 C 118.612 0.000 1 609 67 67 HIS CE1 C 134.340 0.000 1 610 69 69 GLY H H 8.937 0.000 1 611 69 69 GLY HA2 H 3.794 0.001 2 612 69 69 GLY HA3 H 4.085 0.019 2 613 69 69 GLY CA C 42.713 0.000 1 614 69 69 GLY N N 112.290 0.000 1 615 70 70 LYS H H 7.859 0.000 1 616 70 70 LYS HA H 4.361 0.001 1 617 70 70 LYS HB2 H 1.888 0.000 1 618 70 70 LYS HB3 H 1.888 0.000 1 619 70 70 LYS HG2 H 1.285 0.006 1 620 70 70 LYS HG3 H 1.285 0.006 1 621 70 70 LYS HD2 H 1.543 0.000 1 622 70 70 LYS HD3 H 1.543 0.000 1 623 70 70 LYS CA C 52.901 0.040 1 624 70 70 LYS N N 120.287 0.002 1 625 71 71 ALA H H 8.433 0.007 1 626 71 71 ALA HA H 4.207 0.001 1 627 71 71 ALA HB H 1.281 0.001 1 628 71 71 ALA CA C 50.709 0.000 1 629 71 71 ALA CB C 15.840 0.000 1 630 71 71 ALA N N 125.635 0.009 1 631 72 72 ASN H H 8.666 0.013 1 632 72 72 ASN HA H 4.576 0.001 1 633 72 72 ASN HB2 H 2.821 0.007 2 634 72 72 ASN HB3 H 3.034 0.001 2 635 72 72 ASN HD21 H 7.402 0.000 2 636 72 72 ASN HD22 H 6.913 0.000 2 637 72 72 ASN CA C 52.589 0.000 1 638 72 72 ASN CB C 35.424 0.000 1 639 72 72 ASN N N 115.845 0.000 1 640 72 72 ASN ND2 N 112.881 0.008 1 641 73 73 TRP H H 8.107 0.000 1 642 73 73 TRP HA H 4.581 0.001 1 643 73 73 TRP HB2 H 3.071 0.006 2 644 73 73 TRP HB3 H 3.446 0.002 2 645 73 73 TRP HD1 H 7.217 0.003 1 646 73 73 TRP HE1 H 10.001 0.001 1 647 73 73 TRP HE3 H 7.377 0.009 1 648 73 73 TRP HZ2 H 7.040 0.004 1 649 73 73 TRP HZ3 H 7.170 0.002 1 650 73 73 TRP HH2 H 6.949 0.010 1 651 73 73 TRP CA C 54.477 0.045 1 652 73 73 TRP CB C 25.853 0.000 1 653 73 73 TRP CD1 C 124.785 0.000 1 654 73 73 TRP CE3 C 117.475 0.000 1 655 73 73 TRP CZ2 C 111.529 0.000 1 656 73 73 TRP CZ3 C 119.095 0.002 1 657 73 73 TRP CH2 C 121.566 0.000 1 658 73 73 TRP N N 120.265 0.002 1 659 73 73 TRP NE1 N 129.031 0.015 1 660 74 74 GLU H H 8.122 0.000 1 661 74 74 GLU HA H 4.100 0.000 1 662 74 74 GLU N N 117.073 0.000 1 663 75 75 HIS H H 8.123 0.000 1 664 75 75 HIS HA H 4.615 0.003 1 665 75 75 HIS HB2 H 3.224 0.001 2 666 75 75 HIS HB3 H 3.325 0.002 2 667 75 75 HIS HD2 H 7.373 0.000 1 668 75 75 HIS HE1 H 7.973 0.003 1 669 75 75 HIS CA C 54.621 0.000 1 670 75 75 HIS CB C 28.133 0.040 1 671 75 75 HIS CE1 C 135.971 0.017 1 672 75 75 HIS N N 117.078 0.005 1 673 76 76 LEU H H 7.414 0.006 1 674 76 76 LEU HA H 4.078 0.004 1 675 76 76 LEU HB2 H 1.641 0.000 2 676 76 76 LEU HB3 H 1.869 0.000 2 677 76 76 LEU HG H 1.441 0.000 1 678 76 76 LEU HD1 H 1.075 0.001 1 679 76 76 LEU HD2 H 0.984 0.000 1 680 76 76 LEU CA C 53.396 0.000 1 681 76 76 LEU CD1 C 24.130 0.004 1 682 76 76 LEU CD2 C 20.335 0.000 1 683 76 76 LEU N N 119.587 0.011 1 684 77 77 GLU H H 7.823 0.005 1 685 77 77 GLU HA H 4.426 0.005 1 686 77 77 GLU HB2 H 1.946 0.000 2 687 77 77 GLU HB3 H 2.324 0.002 2 688 77 77 GLU HG2 H 2.342 0.000 2 689 77 77 GLU HG3 H 2.431 0.000 2 690 77 77 GLU CA C 53.353 0.000 1 691 77 77 GLU CB C 27.355 0.031 1 692 77 77 GLU CG C 33.562 0.017 1 693 77 77 GLU N N 116.068 0.010 1 694 78 78 ASP H H 8.203 0.003 1 695 78 78 ASP HA H 4.954 0.000 1 696 78 78 ASP HB2 H 2.883 0.001 2 697 78 78 ASP HB3 H 3.114 0.004 2 698 78 78 ASP CA C 49.338 0.000 1 699 78 78 ASP CB C 40.693 0.014 1 700 78 78 ASP N N 121.904 0.001 1 701 79 79 ASP H H 8.676 0.005 1 702 79 79 ASP HA H 4.834 0.002 1 703 79 79 ASP HB2 H 2.586 0.003 2 704 79 79 ASP HB3 H 3.024 0.000 2 705 79 79 ASP CA C 52.365 0.000 1 706 79 79 ASP CB C 39.709 0.014 1 707 79 79 ASP N N 121.414 0.001 1 708 80 80 LEU H H 8.482 0.003 1 709 80 80 LEU HA H 4.630 0.000 1 710 80 80 LEU HB2 H 2.057 0.000 1 711 80 80 LEU HB3 H 2.057 0.000 1 712 80 80 LEU HD1 H 0.686 0.002 1 713 80 80 LEU HD2 H 0.868 0.004 1 714 80 80 LEU CA C 54.081 0.000 1 715 80 80 LEU CB C 39.565 0.000 1 716 80 80 LEU CD1 C 19.739 0.000 1 717 80 80 LEU CD2 C 24.275 0.000 1 718 80 80 LEU N N 122.979 0.007 1 719 81 81 HIS H H 9.203 0.000 1 720 81 81 HIS HA H 5.149 0.001 1 721 81 81 HIS HB2 H 2.226 0.004 2 722 81 81 HIS HB3 H 2.678 0.000 2 723 81 81 HIS HD2 H 6.145 0.008 1 724 81 81 HIS HE1 H 7.529 0.000 1 725 81 81 HIS CA C 52.690 0.000 1 726 81 81 HIS CB C 28.687 0.041 1 727 81 81 HIS CD2 C 124.704 0.000 1 728 81 81 HIS CE1 C 135.255 0.000 1 729 81 81 HIS N N 123.752 0.000 1 730 82 82 VAL H H 9.069 0.002 1 731 82 82 VAL HA H 4.609 0.002 1 732 82 82 VAL HB H 1.807 0.000 1 733 82 82 VAL HG1 H 0.746 0.000 1 734 82 82 VAL HG2 H 0.697 0.000 1 735 82 82 VAL CA C 57.835 0.000 1 736 82 82 VAL CG1 C 19.565 0.000 1 737 82 82 VAL CG2 C 18.841 0.010 1 738 82 82 VAL N N 118.465 0.006 1 739 83 83 LEU H H 9.537 0.001 1 740 83 83 LEU HA H 5.139 0.004 1 741 83 83 LEU HB2 H 1.513 0.002 2 742 83 83 LEU HB3 H 1.611 0.002 2 743 83 83 LEU HG H 1.510 0.000 1 744 83 83 LEU HD1 H 0.879 0.001 2 745 83 83 LEU HD2 H 0.848 0.008 2 746 83 83 LEU CB C 42.009 0.005 1 747 83 83 LEU CG C 24.259 0.000 1 748 83 83 LEU CD1 C 22.575 0.024 2 749 83 83 LEU CD2 C 21.550 0.005 2 750 83 83 LEU N N 127.820 0.011 1 751 84 84 VAL H H 8.849 0.001 1 752 84 84 VAL HA H 4.855 0.006 1 753 84 84 VAL HB H 1.809 0.011 1 754 84 84 VAL HG1 H 0.742 0.000 1 755 84 84 VAL HG2 H 0.761 0.000 1 756 84 84 VAL CA C 58.076 0.023 1 757 84 84 VAL CG1 C 19.779 0.000 1 758 84 84 VAL CG2 C 18.730 0.025 1 759 84 84 VAL N N 124.227 0.033 1 760 85 85 GLN H H 8.982 0.003 1 761 85 85 GLN HA H 5.404 0.002 1 762 85 85 GLN HB2 H 1.639 0.005 1 763 85 85 GLN HB3 H 1.639 0.005 1 764 85 85 GLN HG2 H 2.163 0.002 2 765 85 85 GLN HG3 H 2.023 0.001 2 766 85 85 GLN HE21 H 7.098 0.000 2 767 85 85 GLN HE22 H 6.544 0.000 2 768 85 85 GLN CA C 51.082 0.000 1 769 85 85 GLN CB C 30.449 0.000 1 770 85 85 GLN CG C 31.000 0.013 1 771 85 85 GLN N N 126.897 0.010 1 772 85 85 GLN NE2 N 109.898 0.004 1 773 86 86 CYS H H 8.965 0.014 1 774 86 86 CYS HA H 4.689 0.000 1 775 86 86 CYS HB2 H 2.445 0.004 2 776 86 86 CYS HB3 H 3.037 0.002 2 777 86 86 CYS CB C 28.581 0.007 1 778 86 86 CYS N N 125.882 0.028 1 779 87 87 GLU H H 8.419 0.001 1 780 87 87 GLU HA H 5.693 0.004 1 781 87 87 GLU HB2 H 1.776 0.000 2 782 87 87 GLU HB3 H 1.966 0.000 2 783 87 87 GLU HG2 H 2.030 0.002 1 784 87 87 GLU HG3 H 2.030 0.002 1 785 87 87 GLU CA C 51.662 0.000 1 786 87 87 GLU CB C 29.476 0.003 1 787 87 87 GLU CG C 33.853 0.019 1 788 87 87 GLU N N 128.541 0.004 1 789 88 88 ASP H H 8.868 0.005 1 790 88 88 ASP HA H 4.723 0.000 1 791 88 88 ASP HB2 H 2.438 0.006 2 792 88 88 ASP HB3 H 2.779 0.001 2 793 88 88 ASP CB C 40.341 0.000 1 794 88 88 ASP N N 124.692 0.016 1 795 89 89 THR H H 10.519 0.002 1 796 89 89 THR HA H 4.723 0.000 1 797 89 89 THR HB H 4.631 0.001 1 798 89 89 THR HG2 H 1.087 0.001 1 799 89 89 THR CB C 67.165 0.000 1 800 89 89 THR CG2 C 20.883 0.000 1 801 89 89 THR N N 112.725 0.006 1 802 90 90 GLU H H 9.108 0.002 1 803 90 90 GLU HA H 3.999 0.001 1 804 90 90 GLU HB2 H 2.234 0.002 2 805 90 90 GLU HB3 H 2.285 0.001 2 806 90 90 GLU HG2 H 2.464 0.000 1 807 90 90 GLU HG3 H 2.464 0.000 1 808 90 90 GLU CA C 57.597 0.000 1 809 90 90 GLU CB C 27.567 0.018 1 810 90 90 GLU CG C 33.658 0.000 1 811 90 90 GLU N N 122.988 0.008 1 812 91 91 ASN H H 8.281 0.001 1 813 91 91 ASN HA H 4.562 0.002 1 814 91 91 ASN HB2 H 2.957 0.004 2 815 91 91 ASN HB3 H 3.088 0.003 2 816 91 91 ASN HD21 H 7.425 0.001 2 817 91 91 ASN HD22 H 7.797 0.001 2 818 91 91 ASN CA C 51.484 0.013 1 819 91 91 ASN CB C 34.389 0.029 1 820 91 91 ASN N N 113.320 0.010 1 821 91 91 ASN ND2 N 113.773 0.013 1 822 92 92 ARG H H 7.847 0.004 1 823 92 92 ARG HA H 4.393 0.002 1 824 92 92 ARG HE H 8.517 0.000 1 825 92 92 ARG CA C 54.707 0.000 1 826 92 92 ARG N N 118.847 0.016 1 827 92 92 ARG NE N 84.742 0.000 1 828 93 93 VAL H H 8.353 0.001 1 829 93 93 VAL HA H 3.697 0.002 1 830 93 93 VAL HB H 1.816 0.001 1 831 93 93 VAL HG1 H 0.544 0.002 1 832 93 93 VAL HG2 H 0.792 0.002 1 833 93 93 VAL CA C 63.027 0.000 1 834 93 93 VAL CB C 28.764 0.000 1 835 93 93 VAL CG1 C 17.123 0.013 1 836 93 93 VAL CG2 C 19.392 0.000 1 837 93 93 VAL N N 118.440 0.002 1 838 94 94 HIS H H 8.090 0.001 1 839 94 94 HIS HA H 4.285 0.000 1 840 94 94 HIS HB2 H 3.205 0.004 1 841 94 94 HIS HB3 H 3.205 0.004 1 842 94 94 HIS HD2 H 7.448 0.005 1 843 94 94 HIS HE1 H 8.223 0.000 1 844 94 94 HIS CA C 56.820 0.000 1 845 94 94 HIS CB C 25.934 0.000 1 846 94 94 HIS CD2 C 118.033 0.000 1 847 94 94 HIS CE1 C 134.926 0.000 1 848 94 94 HIS N N 119.101 0.011 1 849 95 95 ILE H H 7.320 0.003 1 850 95 95 ILE HA H 3.738 0.001 1 851 95 95 ILE HB H 1.805 0.003 1 852 95 95 ILE HG12 H 1.119 0.001 2 853 95 95 ILE HG13 H 1.636 0.001 2 854 95 95 ILE HG2 H 0.944 0.000 1 855 95 95 ILE HD1 H 1.006 0.000 1 856 95 95 ILE CA C 61.959 0.000 1 857 95 95 ILE CB C 35.986 0.000 1 858 95 95 ILE CG1 C 25.761 0.028 1 859 95 95 ILE CG2 C 15.140 0.000 1 860 95 95 ILE CD1 C 10.914 0.000 1 861 95 95 ILE N N 121.103 0.006 1 862 96 96 LYS H H 7.804 0.007 1 863 96 96 LYS HA H 4.010 0.000 1 864 96 96 LYS HB2 H 1.823 0.009 1 865 96 96 LYS HB3 H 1.823 0.009 1 866 96 96 LYS HG2 H 1.628 0.000 1 867 96 96 LYS HG3 H 1.628 0.000 1 868 96 96 LYS CA C 57.206 0.000 1 869 96 96 LYS CB C 31.015 0.000 1 870 96 96 LYS N N 120.504 0.005 1 871 97 97 LEU H H 8.192 0.005 1 872 97 97 LEU HA H 4.102 0.005 1 873 97 97 LEU HB2 H 1.756 0.000 2 874 97 97 LEU HB3 H 1.635 0.003 2 875 97 97 LEU HD1 H 0.800 0.001 2 876 97 97 LEU HD2 H 0.863 0.000 2 877 97 97 LEU CA C 55.616 0.000 1 878 97 97 LEU CB C 39.739 0.069 1 879 97 97 LEU CD1 C 22.089 0.000 2 880 97 97 LEU CD2 C 23.288 0.018 2 881 97 97 LEU N N 119.933 0.012 1 882 98 98 GLN H H 8.014 0.003 1 883 98 98 GLN HA H 3.929 0.002 1 884 98 98 GLN HB2 H 2.167 0.001 2 885 98 98 GLN HB3 H 2.228 0.001 2 886 98 98 GLN HG2 H 2.516 0.001 1 887 98 98 GLN HG3 H 2.516 0.001 1 888 98 98 GLN HE21 H 6.818 0.000 2 889 98 98 GLN HE22 H 7.568 0.000 2 890 98 98 GLN CA C 56.535 0.000 1 891 98 98 GLN CB C 25.256 0.001 1 892 98 98 GLN CG C 31.116 0.000 1 893 98 98 GLN N N 116.950 0.000 1 894 98 98 GLN NE2 N 112.230 0.004 1 895 99 99 ALA H H 7.565 0.005 1 896 99 99 ALA HA H 4.232 0.002 1 897 99 99 ALA HB H 1.549 0.002 1 898 99 99 ALA CA C 52.279 0.000 1 899 99 99 ALA CB C 15.245 0.000 1 900 99 99 ALA N N 120.597 0.006 1 901 100 100 ALA H H 7.873 0.004 1 902 100 100 ALA HA H 4.073 0.003 1 903 100 100 ALA HB H 1.563 0.003 1 904 100 100 ALA CA C 53.013 0.000 1 905 100 100 ALA CB C 17.471 0.000 1 906 100 100 ALA N N 121.033 0.000 1 907 101 101 LEU H H 8.913 0.003 1 908 101 101 LEU HA H 3.811 0.001 1 909 101 101 LEU HB2 H 1.440 0.002 2 910 101 101 LEU HB3 H 1.961 0.002 2 911 101 101 LEU HG H 1.812 0.000 1 912 101 101 LEU HD1 H 0.821 0.000 2 913 101 101 LEU HD2 H 0.761 0.000 2 914 101 101 LEU CA C 55.744 0.000 1 915 101 101 LEU CB C 38.901 0.001 1 916 101 101 LEU CD1 C 22.665 0.000 2 917 101 101 LEU CD2 C 20.479 0.000 2 918 101 101 LEU N N 118.354 0.004 1 919 102 102 GLU H H 7.982 0.002 1 920 102 102 GLU HA H 3.962 0.003 1 921 102 102 GLU HB2 H 2.101 0.000 2 922 102 102 GLU HB3 H 2.176 0.000 2 923 102 102 GLU HG2 H 2.439 0.005 2 924 102 102 GLU HG3 H 2.362 0.004 2 925 102 102 GLU CA C 56.782 0.046 1 926 102 102 GLU CB C 26.745 0.023 1 927 102 102 GLU CG C 33.605 0.002 1 928 102 102 GLU N N 116.959 0.007 1 929 103 103 GLN H H 7.362 0.004 1 930 103 103 GLN HA H 4.073 0.001 1 931 103 103 GLN HB2 H 2.130 0.000 1 932 103 103 GLN HB3 H 2.130 0.000 1 933 103 103 GLN HG2 H 2.473 0.001 1 934 103 103 GLN HG3 H 2.473 0.001 1 935 103 103 GLN HE21 H 6.883 0.000 2 936 103 103 GLN HE22 H 7.352 0.000 2 937 103 103 GLN CA C 56.281 0.000 1 938 103 103 GLN CG C 31.186 0.022 1 939 103 103 GLN N N 116.810 0.007 1 940 103 103 GLN NE2 N 112.070 0.004 1 941 104 104 VAL H H 8.416 0.006 1 942 104 104 VAL HA H 3.473 0.001 1 943 104 104 VAL HB H 2.022 0.000 1 944 104 104 VAL HG1 H 0.757 0.000 1 945 104 104 VAL HG2 H 0.921 0.000 1 946 104 104 VAL CA C 64.317 0.000 1 947 104 104 VAL CB C 28.926 0.000 1 948 104 104 VAL CG1 C 19.215 0.000 1 949 104 104 VAL CG2 C 20.464 0.000 1 950 104 104 VAL N N 119.803 0.013 1 951 105 105 LYS H H 8.618 0.001 1 952 105 105 LYS HA H 3.733 0.002 1 953 105 105 LYS HB2 H 1.851 0.001 1 954 105 105 LYS HB3 H 1.851 0.001 1 955 105 105 LYS HG2 H 1.420 0.003 1 956 105 105 LYS HG3 H 1.420 0.003 1 957 105 105 LYS HD2 H 1.650 0.004 1 958 105 105 LYS HD3 H 1.650 0.004 1 959 105 105 LYS HE2 H 2.812 0.000 2 960 105 105 LYS HE3 H 2.906 0.000 2 961 105 105 LYS CA C 58.077 0.000 1 962 105 105 LYS CB C 29.544 0.000 1 963 105 105 LYS CG C 24.204 0.000 1 964 105 105 LYS CD C 27.025 0.000 1 965 105 105 LYS CE C 39.412 0.000 1 966 105 105 LYS N N 117.554 0.010 1 967 106 106 LYS H H 7.196 0.006 1 968 106 106 LYS HA H 4.040 0.002 1 969 106 106 LYS HB2 H 1.913 0.001 1 970 106 106 LYS HB3 H 1.913 0.001 1 971 106 106 LYS HG2 H 1.672 0.003 1 972 106 106 LYS HG3 H 1.672 0.003 1 973 106 106 LYS HD2 H 1.496 0.000 1 974 106 106 LYS HD3 H 1.496 0.000 1 975 106 106 LYS CA C 56.469 0.000 1 976 106 106 LYS CB C 29.910 0.000 1 977 106 106 LYS CG C 22.733 0.000 1 978 106 106 LYS N N 116.590 0.004 1 979 107 107 LEU H H 7.470 0.004 1 980 107 107 LEU HA H 4.257 0.003 1 981 107 107 LEU HB2 H 1.483 0.004 2 982 107 107 LEU HB3 H 1.945 0.019 2 983 107 107 LEU HG H 1.804 0.003 1 984 107 107 LEU HD1 H 0.818 0.021 1 985 107 107 LEU HD2 H 0.792 0.000 1 986 107 107 LEU CA C 53.245 0.000 1 987 107 107 LEU CB C 39.570 0.001 1 988 107 107 LEU CG C 24.183 0.000 1 989 107 107 LEU CD1 C 23.339 0.000 1 990 107 107 LEU CD2 C 20.223 0.013 1 991 107 107 LEU N N 117.551 0.006 1 992 108 108 LEU H H 7.316 0.002 1 993 108 108 LEU HA H 4.376 0.003 1 994 108 108 LEU HB2 H 1.554 0.000 2 995 108 108 LEU HB3 H 1.777 0.000 2 996 108 108 LEU HG H 1.928 0.001 1 997 108 108 LEU HD1 H 0.745 0.000 1 998 108 108 LEU HD2 H 0.622 0.000 1 999 108 108 LEU CA C 52.181 0.000 1 1000 108 108 LEU CG C 23.483 0.000 1 1001 108 108 LEU CD1 C 23.663 0.000 1 1002 108 108 LEU CD2 C 21.183 0.000 1 1003 108 108 LEU N N 116.885 0.011 1 1004 109 109 ILE H H 6.791 0.004 1 1005 109 109 ILE HA H 4.313 0.002 1 1006 109 109 ILE HB H 1.772 0.001 1 1007 109 109 ILE HG12 H 1.593 0.003 1 1008 109 109 ILE HG13 H 1.593 0.003 1 1009 109 109 ILE HG2 H 0.794 0.000 1 1010 109 109 ILE HD1 H 0.878 0.000 1 1011 109 109 ILE CA C 55.028 0.000 1 1012 109 109 ILE CB C 36.552 0.000 1 1013 109 109 ILE CG1 C 24.201 0.000 1 1014 109 109 ILE CG2 C 14.140 0.001 1 1015 109 109 ILE CD1 C 10.421 0.000 1 1016 109 109 ILE N N 117.289 0.004 1 1017 110 110 PRO HA H 3.586 0.002 1 1018 110 110 PRO HB2 H 0.982 0.002 2 1019 110 110 PRO HB3 H 1.118 0.002 2 1020 110 110 PRO HG2 H 0.220 0.004 2 1021 110 110 PRO HG3 H 0.736 0.000 2 1022 110 110 PRO HD2 H 2.559 0.003 2 1023 110 110 PRO HD3 H 3.095 0.000 2 1024 110 110 PRO CA C 60.079 0.000 1 1025 110 110 PRO CB C 28.980 0.015 1 1026 110 110 PRO CG C 24.212 0.000 1 1027 110 110 PRO CD C 47.574 0.007 1 1028 111 111 ALA H H 7.742 0.001 1 1029 111 111 ALA HA H 4.576 0.004 1 1030 111 111 ALA HB H 1.365 0.001 1 1031 111 111 ALA CA C 47.390 0.008 1 1032 111 111 ALA CB C 15.595 0.007 1 1033 111 111 ALA N N 126.481 0.010 1 1034 112 112 PRO HA H 4.364 0.001 1 1035 112 112 PRO HB2 H 2.371 0.000 1 1036 112 112 PRO HB3 H 2.371 0.000 1 1037 112 112 PRO HD2 H 3.567 0.003 2 1038 112 112 PRO HD3 H 3.846 0.001 2 1039 112 112 PRO CA C 60.735 0.000 1 1040 112 112 PRO CB C 29.180 0.000 1 1041 112 112 PRO CD C 47.760 0.030 1 1042 113 113 GLU H H 8.797 0.009 1 1043 113 113 GLU HA H 4.052 0.000 1 1044 113 113 GLU HB2 H 1.982 0.001 2 1045 113 113 GLU HB3 H 2.074 0.001 2 1046 113 113 GLU CA C 55.918 0.000 1 1047 113 113 GLU CB C 26.963 0.016 1 1048 113 113 GLU N N 124.401 0.007 1 1049 114 114 GLY H H 8.135 0.001 1 1050 114 114 GLY HA2 H 3.600 0.002 2 1051 114 114 GLY HA3 H 4.273 0.002 2 1052 114 114 GLY CA C 42.933 0.006 1 1053 114 114 GLY N N 112.042 0.006 1 1054 115 115 THR H H 7.881 0.001 1 1055 115 115 THR HB H 4.437 0.000 1 1056 115 115 THR HG2 H 1.122 0.000 1 1057 115 115 THR CB C 67.931 0.000 1 1058 115 115 THR CG2 C 18.420 0.000 1 1059 115 115 THR N N 108.826 0.007 1 1060 116 116 ASP H H 8.454 0.000 1 1061 116 116 ASP HA H 4.441 0.000 1 1062 116 116 ASP HB2 H 2.398 0.003 2 1063 116 116 ASP HB3 H 3.166 0.007 2 1064 116 116 ASP CB C 38.174 0.039 1 1065 116 116 ASP N N 123.569 0.075 1 1066 117 117 GLU H H 8.288 0.004 1 1067 117 117 GLU HA H 4.140 0.002 1 1068 117 117 GLU HB2 H 2.091 0.002 2 1069 117 117 GLU HB3 H 2.003 0.001 2 1070 117 117 GLU HG2 H 2.346 0.001 1 1071 117 117 GLU HG3 H 2.346 0.001 1 1072 117 117 GLU CA C 55.684 0.000 1 1073 117 117 GLU CB C 27.055 0.015 1 1074 117 117 GLU CG C 32.901 0.000 1 1075 117 117 GLU N N 126.501 0.008 1 1076 118 118 LEU H H 8.069 0.005 1 1077 118 118 LEU HA H 4.142 0.003 1 1078 118 118 LEU HB2 H 1.586 0.006 2 1079 118 118 LEU HB3 H 1.758 0.000 2 1080 118 118 LEU HD1 H 0.964 0.003 2 1081 118 118 LEU HD2 H 0.879 0.001 2 1082 118 118 LEU CA C 55.352 0.057 1 1083 118 118 LEU CB C 38.195 0.018 1 1084 118 118 LEU CD1 C 21.994 0.000 2 1085 118 118 LEU CD2 C 20.957 0.003 2 1086 118 118 LEU N N 119.889 0.004 1 1087 119 119 LYS H H 7.651 0.005 1 1088 119 119 LYS HA H 4.306 0.002 1 1089 119 119 LYS HB2 H 1.684 0.000 1 1090 119 119 LYS HB3 H 1.684 0.000 1 1091 119 119 LYS HD2 H 1.685 0.000 1 1092 119 119 LYS HD3 H 1.685 0.000 1 1093 119 119 LYS HE2 H 2.718 0.008 2 1094 119 119 LYS HE3 H 2.844 0.005 2 1095 119 119 LYS CA C 56.044 0.000 1 1096 119 119 LYS CE C 39.881 0.060 1 1097 119 119 LYS N N 122.866 0.012 1 1098 120 120 ARG H H 7.833 0.001 1 1099 120 120 ARG HA H 3.682 0.003 1 1100 120 120 ARG HB2 H 2.005 0.003 1 1101 120 120 ARG HB3 H 2.005 0.003 1 1102 120 120 ARG HG2 H 1.686 0.001 1 1103 120 120 ARG HG3 H 1.686 0.001 1 1104 120 120 ARG HD2 H 3.224 0.000 2 1105 120 120 ARG HD3 H 3.410 0.001 2 1106 120 120 ARG HE H 8.170 0.004 1 1107 120 120 ARG CA C 58.003 0.010 1 1108 120 120 ARG CB C 27.229 0.000 1 1109 120 120 ARG N N 118.632 0.020 1 1110 120 120 ARG NE N 84.218 0.026 1 1111 121 121 LYS H H 7.876 0.004 1 1112 121 121 LYS HA H 3.978 0.007 1 1113 121 121 LYS HB2 H 1.947 0.001 1 1114 121 121 LYS HB3 H 1.947 0.001 1 1115 121 121 LYS HG2 H 1.401 0.001 2 1116 121 121 LYS HG3 H 1.594 0.002 2 1117 121 121 LYS HD2 H 1.681 0.004 1 1118 121 121 LYS HD3 H 1.681 0.004 1 1119 121 121 LYS HE2 H 2.978 0.001 1 1120 121 121 LYS HE3 H 2.978 0.001 1 1121 121 121 LYS CB C 29.905 0.000 1 1122 121 121 LYS CG C 22.935 0.082 1 1123 121 121 LYS N N 117.264 0.005 1 1124 122 122 GLN H H 8.238 0.001 1 1125 122 122 GLN HA H 3.968 0.007 1 1126 122 122 GLN HG2 H 2.058 0.005 2 1127 122 122 GLN HG3 H 2.825 0.004 2 1128 122 122 GLN CA C 56.546 0.000 1 1129 122 122 GLN CG C 31.506 0.005 1 1130 122 122 GLN N N 120.021 0.016 1 1131 123 123 LEU H H 8.283 0.001 1 1132 123 123 LEU HA H 3.764 0.006 1 1133 123 123 LEU HB2 H 1.935 0.000 1 1134 123 123 LEU HB3 H 1.935 0.000 1 1135 123 123 LEU HG H 1.766 0.001 1 1136 123 123 LEU HD1 H 0.571 0.005 1 1137 123 123 LEU HD2 H 0.447 0.001 1 1138 123 123 LEU CA C 54.973 0.000 1 1139 123 123 LEU CG C 25.039 0.000 1 1140 123 123 LEU CD1 C 21.584 0.007 1 1141 123 123 LEU CD2 C 20.126 0.000 1 1142 123 123 LEU N N 116.959 0.001 1 1143 124 124 MET H H 8.317 0.008 1 1144 124 124 MET HA H 3.978 0.006 1 1145 124 124 MET HB2 H 2.162 0.000 1 1146 124 124 MET HB3 H 2.162 0.000 1 1147 124 124 MET HE H 2.120 0.000 1 1148 124 124 MET CB C 30.412 0.000 1 1149 124 124 MET CE C 14.747 0.000 1 1150 124 124 MET N N 123.694 0.000 1 1151 125 125 GLU H H 8.502 0.006 1 1152 125 125 GLU HA H 3.782 0.007 1 1153 125 125 GLU HB2 H 1.915 0.004 2 1154 125 125 GLU HB3 H 2.149 0.007 2 1155 125 125 GLU HG2 H 2.173 0.002 2 1156 125 125 GLU HG3 H 2.404 0.003 2 1157 125 125 GLU CA C 57.181 0.025 1 1158 125 125 GLU CB C 26.155 0.036 1 1159 125 125 GLU CG C 33.808 0.007 1 1160 125 125 GLU N N 120.068 0.013 1 1161 126 126 LEU H H 8.579 0.005 1 1162 126 126 LEU HA H 3.805 0.008 1 1163 126 126 LEU HB2 H 1.760 0.005 1 1164 126 126 LEU HB3 H 1.760 0.005 1 1165 126 126 LEU HG H 1.595 0.000 1 1166 126 126 LEU HD1 H 0.977 0.001 1 1167 126 126 LEU HD2 H 0.913 0.000 1 1168 126 126 LEU CA C 54.995 0.000 1 1169 126 126 LEU CB C 40.486 0.000 1 1170 126 126 LEU CD1 C 21.402 0.017 1 1171 126 126 LEU CD2 C 23.088 0.000 1 1172 126 126 LEU N N 118.718 0.058 1 1173 127 127 ALA H H 6.929 0.001 1 1174 127 127 ALA HA H 4.134 0.002 1 1175 127 127 ALA HB H 0.858 0.000 1 1176 127 127 ALA CA C 51.017 0.053 1 1177 127 127 ALA CB C 14.921 0.000 1 1178 127 127 ALA N N 119.375 0.006 1 1179 128 128 ILE H H 7.952 0.001 1 1180 128 128 ILE HA H 3.640 0.002 1 1181 128 128 ILE HB H 1.855 0.002 1 1182 128 128 ILE HG12 H 0.452 0.000 2 1183 128 128 ILE HG13 H 1.496 0.001 2 1184 128 128 ILE HG2 H 0.771 0.002 1 1185 128 128 ILE HD1 H 0.452 0.002 1 1186 128 128 ILE CA C 62.712 0.002 1 1187 128 128 ILE CB C 35.126 0.000 1 1188 128 128 ILE CG1 C 27.224 0.004 1 1189 128 128 ILE CG2 C 14.091 0.000 1 1190 128 128 ILE CD1 C 10.613 0.001 1 1191 128 128 ILE N N 120.169 0.010 1 1192 129 129 ILE H H 8.109 0.001 1 1193 129 129 ILE HA H 3.723 0.013 1 1194 129 129 ILE HB H 1.953 0.002 1 1195 129 129 ILE HG12 H 1.103 0.012 1 1196 129 129 ILE HG13 H 1.103 0.012 1 1197 129 129 ILE HG2 H 0.915 0.003 1 1198 129 129 ILE HD1 H 0.788 0.009 1 1199 129 129 ILE CA C 62.690 0.000 1 1200 129 129 ILE CB C 35.749 0.000 1 1201 129 129 ILE CG1 C 25.794 0.000 1 1202 129 129 ILE CG2 C 14.160 0.000 1 1203 129 129 ILE CD1 C 11.729 0.000 1 1204 129 129 ILE N N 121.418 0.006 1 1205 130 130 ASN H H 8.458 0.004 1 1206 130 130 ASN HA H 4.727 0.000 1 1207 130 130 ASN HB2 H 2.927 0.008 1 1208 130 130 ASN HB3 H 2.927 0.008 1 1209 130 130 ASN HD21 H 7.272 0.000 2 1210 130 130 ASN HD22 H 7.046 0.001 2 1211 130 130 ASN CB C 36.180 0.000 1 1212 130 130 ASN N N 116.480 0.038 1 1213 130 130 ASN ND2 N 109.474 0.006 1 1214 131 131 GLY H H 7.910 0.006 1 1215 131 131 GLY HA2 H 4.130 0.004 2 1216 131 131 GLY HA3 H 4.211 0.048 2 1217 131 131 GLY CA C 44.010 0.005 1 1218 131 131 GLY N N 109.407 0.002 1 1219 132 132 THR H H 8.757 0.002 1 1220 132 132 THR HA H 4.574 0.000 1 1221 132 132 THR HB H 4.707 0.010 1 1222 132 132 THR HG2 H 1.117 0.001 1 1223 132 132 THR CA C 57.906 0.000 1 1224 132 132 THR CG2 C 19.209 0.000 1 1225 132 132 THR N N 110.674 0.014 1 1226 133 133 TYR H H 7.366 0.000 1 1227 133 133 TYR HA H 4.263 0.013 1 1228 133 133 TYR HB2 H 2.522 0.005 2 1229 133 133 TYR HB3 H 2.860 0.004 2 1230 133 133 TYR HD1 H 6.866 0.006 1 1231 133 133 TYR HD2 H 6.866 0.006 1 1232 133 133 TYR HE1 H 6.808 0.000 1 1233 133 133 TYR HE2 H 6.808 0.000 1 1234 133 133 TYR CA C 56.562 0.000 1 1235 133 133 TYR CB C 36.024 0.002 1 1236 133 133 TYR CD2 C 130.156 0.000 3 1237 133 133 TYR CE2 C 115.676 0.000 3 1238 133 133 TYR N N 122.917 0.004 1 1239 134 134 ARG H H 9.161 0.006 1 1240 134 134 ARG HA H 4.586 0.006 1 1241 134 134 ARG HB2 H 1.619 0.003 1 1242 134 134 ARG HB3 H 1.619 0.003 1 1243 134 134 ARG HG2 H 1.529 0.000 1 1244 134 134 ARG HG3 H 1.529 0.000 1 1245 134 134 ARG HD2 H 3.046 0.005 2 1246 134 134 ARG HD3 H 3.206 0.001 2 1247 134 134 ARG HE H 7.063 0.000 1 1248 134 134 ARG CA C 49.939 0.000 1 1249 134 134 ARG CB C 28.483 0.002 1 1250 134 134 ARG CD C 40.712 0.000 1 1251 134 134 ARG N N 130.680 0.020 1 1252 134 134 ARG NE N 84.504 0.025 1 1253 135 135 PRO HA H 4.229 0.001 1 1254 135 135 PRO HB2 H 2.280 0.001 1 1255 135 135 PRO HB3 H 2.280 0.001 1 1256 135 135 PRO HG2 H 2.023 0.000 1 1257 135 135 PRO HG3 H 2.023 0.000 1 1258 135 135 PRO HD2 H 3.550 0.002 1 1259 135 135 PRO HD3 H 3.550 0.002 1 1260 135 135 PRO CA C 60.011 0.012 1 1261 135 135 PRO CB C 29.053 0.008 1 1262 135 135 PRO CG C 24.790 0.007 1 1263 136 136 MET H H 8.246 0.006 1 1264 136 136 MET HA H 4.407 0.004 1 1265 136 136 MET HB2 H 1.935 0.003 2 1266 136 136 MET HB3 H 2.021 0.000 2 1267 136 136 MET HG2 H 2.362 0.002 2 1268 136 136 MET HG3 H 2.496 0.001 2 1269 136 136 MET HE H 1.651 0.001 1 1270 136 136 MET CA C 52.812 0.000 1 1271 136 136 MET CB C 30.785 0.022 1 1272 136 136 MET CG C 29.777 0.023 1 1273 136 136 MET CE C 14.456 0.006 1 1274 136 136 MET N N 122.104 0.025 1 1275 137 137 LYS H H 8.243 0.001 1 1276 137 137 LYS HA H 4.313 0.002 1 1277 137 137 LYS HB2 H 1.714 0.001 2 1278 137 137 LYS HB3 H 1.778 0.000 2 1279 137 137 LYS HG2 H 1.386 0.003 1 1280 137 137 LYS HG3 H 1.386 0.003 1 1281 137 137 LYS HD2 H 1.639 0.000 1 1282 137 137 LYS HD3 H 1.639 0.000 1 1283 137 137 LYS HE2 H 2.967 0.000 1 1284 137 137 LYS HE3 H 2.967 0.000 1 1285 137 137 LYS CA C 53.539 0.000 1 1286 137 137 LYS CB C 30.620 0.015 1 1287 137 137 LYS CG C 21.997 0.009 1 1288 137 137 LYS CD C 26.588 0.000 1 1289 137 137 LYS N N 122.697 0.010 1 1290 138 138 SER H H 8.342 0.001 1 1291 138 138 SER HA H 4.728 0.000 1 1292 138 138 SER HB2 H 3.856 0.002 1 1293 138 138 SER HB3 H 3.856 0.002 1 1294 138 138 SER CB C 60.800 0.000 1 1295 138 138 SER N N 118.967 0.021 1 1296 139 139 PRO HA H 4.436 0.001 1 1297 139 139 PRO HB2 H 2.264 0.000 1 1298 139 139 PRO HB3 H 2.264 0.000 1 1299 139 139 PRO HG2 H 1.998 0.008 1 1300 139 139 PRO HG3 H 1.998 0.008 1 1301 139 139 PRO HD2 H 3.728 0.000 2 1302 139 139 PRO HD3 H 3.808 0.000 2 1303 139 139 PRO CA C 60.532 0.004 1 1304 139 139 PRO CB C 29.365 0.000 1 1305 139 139 PRO CG C 24.593 0.000 1 1306 139 139 PRO CD C 48.109 0.012 1 1307 140 140 ASN H H 8.350 0.003 1 1308 140 140 ASN HA H 4.942 0.001 1 1309 140 140 ASN HB2 H 2.660 0.008 2 1310 140 140 ASN HB3 H 2.827 0.002 2 1311 140 140 ASN CA C 48.632 0.008 1 1312 140 140 ASN CB C 36.141 0.005 1 1313 140 140 ASN N N 119.781 0.025 1 1314 141 141 PRO HA H 4.397 0.002 1 1315 141 141 PRO HB2 H 2.261 0.000 1 1316 141 141 PRO HB3 H 2.261 0.000 1 1317 141 141 PRO HG2 H 1.913 0.000 2 1318 141 141 PRO HG3 H 1.994 0.000 2 1319 141 141 PRO HD2 H 3.725 0.000 2 1320 141 141 PRO HD3 H 3.806 0.000 2 1321 141 141 PRO CA C 60.840 0.000 1 1322 142 142 ALA H H 7.921 0.002 1 1323 142 142 ALA HA H 4.107 0.001 1 1324 142 142 ALA HB H 1.327 0.001 1 1325 142 142 ALA CA C 51.154 0.000 1 1326 142 142 ALA CB C 17.549 0.000 1 1327 142 142 ALA N N 130.053 0.010 1 stop_ save_ save_RDC_list_1 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $15N_(Phage) stop_ _Details 'HN-N, measured in 14 mg/ml Pf1 phage' _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 700 _Text_data_format . _Text_data . loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Software_label _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value DNH 7 ASP N 7 ASP H 0.15 $PALES ? ? . . DNH 9 ILE N 9 ILE H 8.25 $PALES ? ? . . DNH 10 SER N 10 SER H 0.53 $PALES ? ? . . DNH 11 ILE N 11 ILE H 1.79 $PALES ? ? . . DNH 12 THR N 12 THR H -1.90 $PALES ? ? . . DNH 25 TYR N 25 TYR H -1.70 $PALES ? ? . . DNH 27 PHE N 27 PHE H 5.09 $PALES ? ? . . DNH 28 VAL N 28 VAL H 0.37 $PALES ? ? . . DNH 29 GLY N 29 GLY H -8.21 $PALES ? ? . . DNH 30 ARG N 30 ARG H 0.85 $PALES ? ? . . DNH 32 LEU N 32 LEU H -3.77 $PALES ? ? . . DNH 37 MET N 37 MET H -10.01 $PALES ? ? . . DNH 39 ALA N 39 ALA H 1.56 $PALES ? ? . . DNH 42 LEU N 42 LEU H 0.45 $PALES ? ? . . DNH 43 GLU N 43 GLU H -0.84 $PALES ? ? . . DNH 45 ASP N 45 ASP H -8.19 $PALES ? ? . . DNH 47 GLY N 47 GLY H -8.63 $PALES ? ? . . DNH 50 ILE N 50 ILE H 0.86 $PALES ? ? . . DNH 53 ARG N 53 ARG H 9.76 $PALES ? ? . . DNH 82 VAL N 82 VAL H 5.52 $PALES ? ? . . DNH 85 GLN N 85 GLN H -3.47 $PALES ? ? . . DNH 87 GLU N 87 GLU H -2.76 $PALES ? ? . . DNH 89 THR N 89 THR H 6.54 $PALES ? ? . . DNH 95 ILE N 95 ILE H -18.80 $PALES ? ? . . DNH 99 ALA N 99 ALA H -19.77 $PALES ? ? . . DNH 100 ALA N 100 ALA H -18.14 $PALES ? ? . . DNH 105 LYS N 105 LYS H -15.16 $PALES ? ? . . DNH 106 LYS N 106 LYS H -15.47 $PALES ? ? . . DNH 107 LEU N 107 LEU H -17.64 $PALES ? ? . . DNH 121 LYS N 121 LYS H 5.64 $PALES ? ? . . DNH 125 GLU N 125 GLU H 3.20 $PALES ? ? . . DNH 126 LEU N 126 LEU H 3.94 $PALES ? ? . . DNH 127 ALA N 127 ALA H 10.73 $PALES ? ? . . DNH 130 ASN N 130 ASN H 6.14 $PALES ? ? . . DNH 131 GLY N 131 GLY H 10.28 $PALES ? ? . . DNH 132 THR N 132 THR H -9.62 $PALES ? ? . . stop_ save_