data_19494 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HuR RRM3 WT ; _BMRB_accession_number 19494 _BMRB_flat_file_name bmr19494.str _Entry_type original _Submission_date 2013-09-16 _Accession_date 2013-09-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'HUMAN HUR PROTEIN RRM3 AND DOMAIN MUTANTS S318D AND W261E' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Blanco Francisco . Sr. 2 Scheiba Rafael . Sr. 3 'Ibanez de Opakua' Alain . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 184 "13C chemical shifts" 204 "15N chemical shifts" 109 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-02-05 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19499 'HuR RRM3 W261E mutant' 19500 'HuR RRM3 S318D mutant' stop_ _Original_release_date 2015-02-05 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'The C-terminal RNA binding motif of HuR is a multi-functional domain leading to HuR oligomerization and binding to U-rich RNA targets' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25584704 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Scheiba Rafael M. . 2 'Ibanez de Opakua' Alain . . 3 Diaz-Quintana Antonio . . 4 Cruz-Gallardo Isabel . . 5 Martinez-Cruz Luis A. . 6 Martinez-Chantar Maria L. . 7 Blanco Francisco J. . 8 Diaz-Moreno Irene . . stop_ _Journal_abbreviation 'RNA Biol.' _Journal_volume 11 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1250 _Page_last 1261 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'HUR RRM3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HUR RRM3' $HUR_RRM3_polypeptide stop_ _System_molecular_weight 14063 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HUR_RRM3_polypeptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HUR_RRM3_polypeptide _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; MKHHHHHHPMSDYDIPTTEI SGRENLYFQSGSEFPAETPS GWCIFIYNLGQDADEGILWQ MFGPFGAVTNVKVIRDFNTN KCKGFGFVTMTNYEEAAMAI ASLNGYRLGDKILQVSFKTN KSHK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 LYS 3 3 HIS 4 4 HIS 5 5 HIS 6 6 HIS 7 7 HIS 8 8 HIS 9 9 PRO 10 10 MET 11 11 SER 12 12 ASP 13 13 TYR 14 14 ASP 15 15 ILE 16 16 PRO 17 17 THR 18 18 THR 19 19 GLU 20 20 ILE 21 21 SER 22 22 GLY 23 23 ARG 24 24 GLU 25 25 ASN 26 26 LEU 27 27 TYR 28 28 PHE 29 29 GLN 30 30 SER 31 31 GLY 32 32 SER 33 33 GLU 34 34 PHE 35 35 PRO 36 36 ALA 37 37 GLU 38 38 THR 39 39 PRO 40 40 SER 41 41 GLY 42 244 TRP 43 245 CYS 44 246 ILE 45 247 PHE 46 248 ILE 47 249 TYR 48 250 ASN 49 251 LEU 50 252 GLY 51 253 GLN 52 254 ASP 53 255 ALA 54 256 ASP 55 257 GLU 56 258 GLY 57 259 ILE 58 260 LEU 59 261 TRP 60 262 GLN 61 263 MET 62 264 PHE 63 265 GLY 64 266 PRO 65 267 PHE 66 268 GLY 67 269 ALA 68 270 VAL 69 271 THR 70 272 ASN 71 273 VAL 72 274 LYS 73 275 VAL 74 276 ILE 75 277 ARG 76 278 ASP 77 279 PHE 78 280 ASN 79 281 THR 80 282 ASN 81 283 LYS 82 284 CYS 83 285 LYS 84 286 GLY 85 287 PHE 86 288 GLY 87 289 PHE 88 290 VAL 89 291 THR 90 292 MET 91 293 THR 92 294 ASN 93 295 TYR 94 296 GLU 95 297 GLU 96 298 ALA 97 299 ALA 98 300 MET 99 301 ALA 100 302 ILE 101 303 ALA 102 304 SER 103 305 LEU 104 306 ASN 105 307 GLY 106 308 TYR 107 309 ARG 108 310 LEU 109 311 GLY 110 312 ASP 111 313 LYS 112 314 ILE 113 315 LEU 114 316 GLN 115 317 VAL 116 318 SER 117 319 PHE 118 320 LYS 119 321 THR 120 322 ASN 121 323 LYS 122 324 SER 123 325 HIS 124 326 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-25 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 BMRB 19499 HUR_RRM3_W261E_mutant 100.00 124 99.19 99.19 8.27e-87 BMRB 19500 HUR_RRM3_S318D_mutant 100.00 124 99.19 99.19 1.41e-87 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HUR_RRM3_polypeptide Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $HUR_RRM3_polypeptide 'recombinant technology' . Escherichia coli BL21 DE3 'pET M11' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HUR_RRM3_polypeptide 233 uM '[U-99% 13C; U-99% 15N]' DTT 3 mM 'natural abundance' D2O 5 % 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' DSS 30 uM 'natural abundance' 'sodium phosphate' 10 mM '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 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_MARS _Saveframe_category software _Name MARS _Version . loop_ _Vendor _Address _Electronic_address '(MARS) Zweckstetter' . . 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 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_HN(CO)CACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HN(COCA)HA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)HA' _Sample_label $sample_1 save_ save_3D_HN(CA)HA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)HA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.3 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CACB' '3D HN(COCA)HA' '3D HN(CA)HA' '3D HN(CO)CA' '3D HN(CA)CO' '3D HNCACB' 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 'HUR RRM3' _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 MET C C 177.082 0.05 1 2 1 1 MET CB C 31.448 0.1 1 3 2 2 LYS H H 8.144 0.01 1 4 2 2 LYS HA H 4.257 0.01 1 5 2 2 LYS CA C 55.57 0.1 1 6 2 2 LYS N N 119.828 0.05 1 7 9 9 PRO HA H 4.378 0.01 1 8 9 9 PRO C C 176.969 0.05 1 9 9 9 PRO CA C 63.374 0.1 1 10 9 9 PRO CB C 32.092 0.1 1 11 10 10 MET H H 8.739 0.01 1 12 10 10 MET HA H 4.499 0.01 1 13 10 10 MET C C 176.333 0.05 1 14 10 10 MET CA C 55.567 0.1 1 15 10 10 MET CB C 32.825 0.1 1 16 10 10 MET N N 120.109 0.05 1 17 11 11 SER H H 8.255 0.01 1 18 11 11 SER HA H 4.41 0.01 1 19 11 11 SER C C 174.236 0.05 1 20 11 11 SER CA C 58.437 0.1 1 21 11 11 SER CB C 63.909 0.1 1 22 11 11 SER N N 116.184 0.05 1 23 12 12 ASP H H 8.309 0.01 1 24 12 12 ASP HA H 4.518 0.01 1 25 12 12 ASP C C 175.772 0.05 1 26 12 12 ASP CA C 54.756 0.1 1 27 12 12 ASP CB C 40.816 0.1 1 28 12 12 ASP N N 121.672 0.05 1 29 13 13 TYR H H 7.881 0.01 1 30 13 13 TYR HA H 4.507 0.01 1 31 13 13 TYR C C 175.157 0.05 1 32 13 13 TYR CA C 57.591 0.1 1 33 13 13 TYR CB C 38.798 0.1 1 34 13 13 TYR N N 118.721 0.05 1 35 14 14 ASP H H 8.108 0.01 1 36 14 14 ASP HA H 4.593 0.01 1 37 14 14 ASP C C 175.324 0.05 1 38 14 14 ASP CA C 54.121 0.1 1 39 14 14 ASP CB C 41.263 0.1 1 40 14 14 ASP N N 121.39 0.05 1 41 15 15 ILE H H 7.894 0.01 1 42 15 15 ILE HA H 4.367 0.01 1 43 15 15 ILE CA C 58.738 0.1 1 44 15 15 ILE N N 122.108 0.05 1 45 16 16 PRO HA H 4.492 0.01 1 46 16 16 PRO C C 177.125 0.05 1 47 16 16 PRO CA C 63.146 0.1 1 48 16 16 PRO CB C 32.154 0.1 1 49 17 17 THR H H 8.28 0.01 1 50 17 17 THR HA H 4.344 0.01 1 51 17 17 THR C C 174.89 0.05 1 52 17 17 THR CA C 62.056 0.1 1 53 17 17 THR CB C 69.566 0.1 1 54 17 17 THR N N 114.442 0.05 1 55 18 18 THR H H 8.043 0.01 1 56 18 18 THR HA H 4.331 0.01 1 57 18 18 THR C C 174.571 0.05 1 58 18 18 THR CA C 61.982 0.1 1 59 18 18 THR CB C 69.699 0.1 1 60 18 18 THR N N 115.076 0.05 1 61 19 19 GLU H H 8.371 0.01 1 62 19 19 GLU HA H 4.313 0.01 1 63 19 19 GLU C C 176.458 0.05 1 64 19 19 GLU CA C 56.653 0.1 1 65 19 19 GLU CB C 30.193 0.1 1 66 19 19 GLU N N 122.954 0.05 1 67 20 20 ILE H H 8.108 0.01 1 68 20 20 ILE HA H 4.17 0.01 1 69 20 20 ILE C C 176.321 0.05 1 70 20 20 ILE CA C 61.355 0.1 1 71 20 20 ILE CB C 38.688 0.1 1 72 20 20 ILE N N 121.39 0.05 1 73 21 21 SER H H 8.403 0.01 1 74 21 21 SER HA H 4.422 0.01 1 75 21 21 SER C C 175.214 0.05 1 76 21 21 SER CA C 58.73 0.1 1 77 21 21 SER CB C 63.819 0.1 1 78 21 21 SER N N 119.327 0.05 1 79 22 22 GLY H H 8.524 0.01 1 80 22 22 GLY C C 174.48 0.05 1 81 22 22 GLY CA C 45.494 0.1 1 82 22 22 GLY N N 111.14 0.05 1 83 23 23 ARG H H 8.122 0.01 1 84 23 23 ARG HA H 4.27 0.01 1 85 23 23 ARG C C 176.476 0.05 1 86 23 23 ARG CA C 56.323 0.1 1 87 23 23 ARG CB C 30.631 0.1 1 88 23 23 ARG N N 120.11 0.05 1 89 24 24 GLU H H 8.663 0.01 1 90 24 24 GLU HA H 4.14 0.01 1 91 24 24 GLU C C 176.359 0.05 1 92 24 24 GLU CA C 57.444 0.1 1 93 24 24 GLU CB C 29.74 0.1 1 94 24 24 GLU N N 120.69 0.05 1 95 25 25 ASN H H 8.32 0.01 1 96 25 25 ASN HD21 H 6.858 0.01 2 97 25 25 ASN HD22 H 7.547 0.01 2 98 25 25 ASN C C 175.171 0.05 1 99 25 25 ASN CA C 53.563 0.1 1 100 25 25 ASN CB C 38.648 0.1 1 101 25 25 ASN CG C 176.83 0.1 1 102 25 25 ASN N N 118.375 0.05 1 103 25 25 ASN ND2 N 112.641 0.05 1 104 26 26 LEU H H 7.97 0.01 1 105 26 26 LEU HA H 4.159 0.01 1 106 26 26 LEU C C 177.051 0.05 1 107 26 26 LEU CA C 55.584 0.1 1 108 26 26 LEU CB C 42.123 0.1 1 109 26 26 LEU N N 121.506 0.05 1 110 27 27 TYR H H 7.921 0.01 1 111 27 27 TYR HA H 4.422 0.01 1 112 27 27 TYR C C 175.526 0.05 1 113 27 27 TYR CA C 58.067 0.1 1 114 27 27 TYR CB C 38.525 0.1 1 115 27 27 TYR N N 118.972 0.05 1 116 28 28 PHE H H 7.873 0.01 1 117 28 28 PHE HA H 4.497 0.01 1 118 28 28 PHE C C 175.257 0.05 1 119 28 28 PHE CA C 57.697 0.1 1 120 28 28 PHE N N 120.207 0.05 1 121 29 29 GLN H H 8.154 0.01 1 122 29 29 GLN HA H 4.334 0.01 1 123 29 29 GLN HE21 H 6.811 0.01 2 124 29 29 GLN HE22 H 7.437 0.01 2 125 29 29 GLN CA C 55.74 0.1 1 126 29 29 GLN CB C 29.864 0.1 1 127 29 29 GLN CG C 33.74 0.1 1 128 29 29 GLN CD C 180.269 0.1 1 129 29 29 GLN N N 121.626 0.05 1 130 29 29 GLN NE2 N 112.038 0.05 1 131 30 30 SER H H 7.951 0.01 1 132 30 30 SER CA C 59.964 0.1 1 133 30 30 SER N N 123.403 0.05 1 134 31 31 GLY C C 174.145 0.05 1 135 32 32 SER H H 8.135 0.01 1 136 32 32 SER HA H 4.405 0.01 1 137 32 32 SER C C 174.233 0.05 1 138 32 32 SER CA C 58.541 0.1 1 139 32 32 SER CB C 63.865 0.1 1 140 32 32 SER N N 115.215 0.05 1 141 33 33 GLU H H 8.444 0.01 1 142 33 33 GLU HA H 4.176 0.01 1 143 33 33 GLU C C 175.53 0.05 1 144 33 33 GLU CA C 56.683 0.1 1 145 33 33 GLU CB C 30.144 0.1 1 146 33 33 GLU N N 121.826 0.05 1 147 34 34 PHE H H 8.059 0.01 1 148 34 34 PHE CA C 55.394 0.1 1 149 34 34 PHE N N 120.732 0.05 1 150 35 35 PRO HA H 4.353 0.01 1 151 35 35 PRO C C 176.159 0.05 1 152 35 35 PRO CA C 63.014 0.1 1 153 35 35 PRO CB C 31.804 0.1 1 154 36 36 ALA H H 8.31 0.01 1 155 36 36 ALA HA H 4.266 0.01 1 156 36 36 ALA C C 177.37 0.05 1 157 36 36 ALA CA C 52.434 0.1 1 158 36 36 ALA CB C 19.407 0.1 1 159 36 36 ALA N N 124.046 0.05 1 160 37 37 GLU H H 8.263 0.01 1 161 37 37 GLU HA H 4.141 0.01 1 162 37 37 GLU C C 176.027 0.05 1 163 37 37 GLU CA C 56.323 0.1 1 164 37 37 GLU CB C 30.254 0.1 1 165 37 37 GLU N N 119.657 0.05 1 166 38 38 THR H H 8.128 0.01 1 167 38 38 THR CA C 59.515 0.1 1 168 38 38 THR N N 117.316 0.05 1 169 39 39 PRO HA H 4.378 0.01 1 170 39 39 PRO C C 176.607 0.05 1 171 39 39 PRO CA C 63.374 0.1 1 172 39 39 PRO CB C 31.927 0.1 1 173 40 40 SER H H 8.083 0.01 1 174 40 40 SER HA H 4.371 0.01 1 175 40 40 SER C C 173.924 0.05 1 176 40 40 SER CA C 58.109 0.1 1 177 40 40 SER CB C 63.763 0.1 1 178 40 40 SER N N 114.354 0.05 1 179 41 41 GLY H H 7.802 0.01 1 180 41 41 GLY C C 172.364 0.05 1 181 41 41 GLY CA C 44.446 0.1 1 182 41 41 GLY N N 109.467 0.05 1 183 244 42 TRP H H 8.914 0.01 1 184 244 42 TRP HE1 H 10.177 0.01 1 185 244 42 TRP N N 122.331 0.05 1 186 244 42 TRP NE1 N 128.7 0.05 1 187 245 43 CYS H H 9.1 0.01 1 188 245 43 CYS N N 124.112 0.05 1 189 246 44 ILE H H 9.747 0.01 1 190 246 44 ILE HA H 4.362 0.01 1 191 246 44 ILE CA C 61.272 0.1 1 192 246 44 ILE N N 131.706 0.05 1 193 247 45 PHE H H 9.483 0.01 1 194 247 45 PHE CA C 55.7 0.1 1 195 247 45 PHE N N 127.535 0.05 1 196 248 46 ILE H H 8.287 0.01 1 197 248 46 ILE N N 124.998 0.05 1 198 249 47 TYR H H 9.099 0.01 1 199 249 47 TYR N N 123.896 0.05 1 200 250 48 ASN HD21 H 6.818 0.01 2 201 250 48 ASN HD22 H 7.928 0.01 2 202 250 48 ASN C C 174.312 0.05 1 203 250 48 ASN ND2 N 111.138 0.05 1 204 251 49 LEU H H 7.215 0.01 1 205 251 49 LEU HA H 3.894 0.01 1 206 251 49 LEU C C 178.047 0.05 1 207 251 49 LEU CA C 54.517 0.1 1 208 251 49 LEU N N 113.556 0.05 1 209 252 50 GLY H H 8.429 0.01 1 210 252 50 GLY C C 174.276 0.05 1 211 252 50 GLY CA C 44.168 0.1 1 212 252 50 GLY N N 107.793 0.05 1 213 253 51 GLN H H 8.535 0.01 1 214 253 51 GLN HA H 4.353 0.01 1 215 253 51 GLN HE21 H 6.85 0.01 2 216 253 51 GLN HE22 H 7.431 0.01 2 217 253 51 GLN C C 176.438 0.05 1 218 253 51 GLN CA C 58.315 0.1 1 219 253 51 GLN CD C 180.26 0.1 1 220 253 51 GLN N N 116.231 0.05 1 221 253 51 GLN NE2 N 111.548 0.05 1 222 254 52 ASP H H 8.588 0.01 1 223 254 52 ASP C C 175.899 0.05 1 224 254 52 ASP N N 116.548 0.05 1 225 255 53 ALA H H 7.178 0.01 1 226 255 53 ALA HA H 4.057 0.01 1 227 255 53 ALA C C 175.05 0.05 1 228 255 53 ALA CA C 53.516 0.1 1 229 255 53 ALA N N 123.303 0.05 1 230 256 54 ASP H H 7.115 0.01 1 231 256 54 ASP C C 174.664 0.05 1 232 256 54 ASP CA C 52.098 0.1 1 233 256 54 ASP N N 116.402 0.05 1 234 257 55 GLU H H 9.661 0.01 1 235 257 55 GLU HA H 3.558 0.01 1 236 257 55 GLU C C 177.985 0.05 1 237 257 55 GLU CA C 61.756 0.1 1 238 257 55 GLU N N 118.926 0.05 1 239 258 56 GLY H H 8.59 0.01 1 240 258 56 GLY CA C 47.735 0.1 1 241 258 56 GLY N N 106.65 0.05 1 242 259 57 ILE H H 7.757 0.01 1 243 259 57 ILE HA H 4.122 0.01 1 244 259 57 ILE C C 177.715 0.05 1 245 259 57 ILE CA C 62.681 0.1 1 246 259 57 ILE N N 120.824 0.05 1 247 260 58 LEU H H 7.122 0.01 1 248 260 58 LEU HA H 4.285 0.01 1 249 260 58 LEU CA C 57.693 0.1 1 250 260 58 LEU N N 119.818 0.05 1 251 261 59 TRP HE1 H 10.313 0.01 1 252 261 59 TRP NE1 N 129.002 0.05 1 253 262 60 GLN HE21 H 6.933 0.01 2 254 262 60 GLN HE22 H 7.631 0.01 2 255 262 60 GLN CD C 180.323 0.1 1 256 262 60 GLN NE2 N 112.156 0.05 1 257 264 62 PHE H H 8.216 0.01 1 258 264 62 PHE N N 113.474 0.05 1 259 271 69 THR C C 175.232 0.05 1 260 272 70 ASN H H 7.316 0.01 1 261 272 70 ASN HD21 H 6.84 0.01 2 262 272 70 ASN HD22 H 7.631 0.01 2 263 272 70 ASN C C 172.146 0.05 1 264 272 70 ASN CA C 53.806 0.1 1 265 272 70 ASN CG C 176.672 0.1 1 266 272 70 ASN N N 118.171 0.05 1 267 272 70 ASN ND2 N 112.162 0.05 1 268 273 71 VAL H H 7.911 0.01 1 269 273 71 VAL C C 173.892 0.05 1 270 273 71 VAL CA C 60.662 0.1 1 271 273 71 VAL N N 119.194 0.05 1 272 274 72 LYS H H 8.713 0.01 1 273 274 72 LYS C C 174.527 0.05 1 274 274 72 LYS CA C 55.259 0.1 1 275 274 72 LYS N N 124.304 0.05 1 276 275 73 VAL H H 8.626 0.01 1 277 275 73 VAL HA H 4.148 0.01 1 278 275 73 VAL C C 174.451 0.05 1 279 275 73 VAL CA C 61.538 0.1 1 280 275 73 VAL N N 123.092 0.05 1 281 276 74 ILE H H 7.906 0.01 1 282 276 74 ILE C C 175.638 0.05 1 283 276 74 ILE N N 126.13 0.05 1 284 277 75 ARG H H 8.672 0.01 1 285 277 75 ARG C C 175.632 0.05 1 286 277 75 ARG CA C 54.452 0.1 1 287 277 75 ARG N N 127.212 0.05 1 288 278 76 ASP H H 8.461 0.01 1 289 278 76 ASP HA H 4.577 0.01 1 290 278 76 ASP CA C 53.735 0.1 1 291 278 76 ASP N N 121.649 0.05 1 292 279 77 PHE HA H 4.353 0.01 1 293 279 77 PHE C C 176.296 0.05 1 294 279 77 PHE CA C 60.196 0.1 1 295 280 78 ASN H H 8.689 0.01 1 296 280 78 ASN HA H 4.593 0.01 1 297 280 78 ASN HD21 H 7.013 0.01 2 298 280 78 ASN HD22 H 7.884 0.01 2 299 280 78 ASN C C 176.738 0.05 1 300 280 78 ASN CA C 55.539 0.1 1 301 280 78 ASN CG C 176.579 0.1 1 302 280 78 ASN N N 115.782 0.05 1 303 280 78 ASN ND2 N 114.05 0.05 1 304 281 79 THR H H 8.164 0.01 1 305 281 79 THR HA H 4.386 0.01 1 306 281 79 THR C C 175.554 0.05 1 307 281 79 THR CA C 61.683 0.1 1 308 281 79 THR N N 107.799 0.05 1 309 282 80 ASN H H 8.388 0.01 1 310 282 80 ASN HA H 4.458 0.01 1 311 282 80 ASN HD21 H 6.811 0.01 2 312 282 80 ASN HD22 H 7.52 0.01 2 313 282 80 ASN C C 174.239 0.05 1 314 282 80 ASN CA C 54.728 0.1 1 315 282 80 ASN CG C 178.058 0.1 1 316 282 80 ASN N N 117.138 0.05 1 317 282 80 ASN ND2 N 111.99 0.05 1 318 283 81 LYS H H 7.728 0.01 1 319 283 81 LYS HA H 4.577 0.01 1 320 283 81 LYS C C 176.362 0.05 1 321 283 81 LYS CA C 54.556 0.1 1 322 283 81 LYS N N 116.806 0.05 1 323 284 82 CYS H H 8.889 0.01 1 324 284 82 CYS C C 175.963 0.05 1 325 284 82 CYS N N 121.586 0.05 1 326 285 83 LYS H H 9.096 0.01 1 327 285 83 LYS HA H 4.301 0.01 1 328 285 83 LYS C C 175.753 0.05 1 329 285 83 LYS CA C 57.075 0.1 1 330 285 83 LYS N N 128.592 0.05 1 331 286 84 GLY H H 8.476 0.01 1 332 286 84 GLY CA C 43.941 0.1 1 333 286 84 GLY N N 107.037 0.05 1 334 287 85 PHE H H 6.768 0.01 1 335 287 85 PHE C C 172.91 0.05 1 336 287 85 PHE CA C 54.393 0.1 1 337 287 85 PHE N N 115.503 0.05 1 338 288 86 GLY H H 8.629 0.01 1 339 288 86 GLY C C 169.297 0.05 1 340 288 86 GLY CA C 45.125 0.1 1 341 288 86 GLY N N 105.797 0.05 1 342 289 87 PHE H H 8.962 0.01 1 343 289 87 PHE HA H 5.84 0.01 1 344 289 87 PHE CA C 56.149 0.1 1 345 289 87 PHE N N 114.451 0.05 1 346 290 88 VAL H H 8.906 0.01 1 347 290 88 VAL N N 120.271 0.05 1 348 291 89 THR H H 8.621 0.01 1 349 291 89 THR N N 120.073 0.05 1 350 292 90 MET H H 8.836 0.01 1 351 292 90 MET HA H 5.259 0.01 1 352 292 90 MET CA C 55.066 0.1 1 353 292 90 MET N N 124.15 0.05 1 354 293 91 THR H H 7.398 0.01 1 355 293 91 THR HA H 4.14 0.01 1 356 293 91 THR C C 174.276 0.05 1 357 293 91 THR CA C 66.112 0.1 1 358 293 91 THR N N 116.923 0.05 1 359 294 92 ASN H H 9.926 0.01 1 360 294 92 ASN HD21 H 7.251 0.01 2 361 294 92 ASN HD22 H 7.941 0.01 2 362 294 92 ASN C C 174.737 0.05 1 363 294 92 ASN N N 119.955 0.05 1 364 294 92 ASN ND2 N 115.573 0.05 1 365 295 93 TYR H H 9.135 0.01 1 366 295 93 TYR HA H 2.886 0.01 1 367 295 93 TYR C C 175.758 0.05 1 368 295 93 TYR CA C 62.504 0.1 1 369 295 93 TYR N N 128.359 0.05 1 370 296 94 GLU H H 9.058 0.01 1 371 296 94 GLU HA H 3.763 0.01 1 372 296 94 GLU C C 179.893 0.05 1 373 296 94 GLU CA C 59.835 0.1 1 374 296 94 GLU N N 115.56 0.05 1 375 297 95 GLU H H 7.101 0.01 1 376 297 95 GLU HA H 4.127 0.01 1 377 297 95 GLU C C 177.695 0.05 1 378 297 95 GLU CA C 58.801 0.1 1 379 297 95 GLU N N 119.434 0.05 1 380 298 96 ALA H H 7.956 0.01 1 381 298 96 ALA HA H 4.393 0.01 1 382 298 96 ALA C C 178.907 0.05 1 383 298 96 ALA CA C 54.437 0.1 1 384 298 96 ALA N N 122.573 0.05 1 385 299 97 ALA H H 8.737 0.01 1 386 299 97 ALA HA H 3.637 0.01 1 387 299 97 ALA C C 181.001 0.05 1 388 299 97 ALA CA C 54.87 0.1 1 389 299 97 ALA N N 118.319 0.05 1 390 300 98 MET H H 7.558 0.01 1 391 300 98 MET HA H 4.175 0.01 1 392 300 98 MET C C 178.199 0.05 1 393 300 98 MET CA C 57.792 0.1 1 394 300 98 MET N N 119.13 0.05 1 395 301 99 ALA H H 7.994 0.01 1 396 301 99 ALA HA H 2.069 0.01 1 397 301 99 ALA C C 178.996 0.05 1 398 301 99 ALA CA C 54.699 0.1 1 399 301 99 ALA N N 125.311 0.05 1 400 302 100 ILE H H 8.056 0.01 1 401 302 100 ILE HA H 3.062 0.01 1 402 302 100 ILE C C 177.312 0.05 1 403 302 100 ILE CA C 65.831 0.1 1 404 302 100 ILE N N 117.296 0.05 1 405 303 101 ALA H H 7.632 0.01 1 406 303 101 ALA HA H 4.029 0.01 1 407 303 101 ALA C C 180.197 0.05 1 408 303 101 ALA CA C 54.493 0.1 1 409 303 101 ALA N N 118.818 0.05 1 410 304 102 SER H H 7.48 0.01 1 411 304 102 SER C C 175.333 0.05 1 412 304 102 SER CA C 60.819 0.1 1 413 304 102 SER N N 110.731 0.05 1 414 305 103 LEU H H 8.111 0.01 1 415 305 103 LEU HA H 4.291 0.01 1 416 305 103 LEU C C 177.192 0.05 1 417 305 103 LEU CA C 55.097 0.1 1 418 305 103 LEU N N 118.699 0.05 1 419 306 104 ASN H H 8.091 0.01 1 420 306 104 ASN HA H 4.316 0.01 1 421 306 104 ASN HD21 H 6.953 0.01 2 422 306 104 ASN HD22 H 7.71 0.01 2 423 306 104 ASN C C 176.595 0.05 1 424 306 104 ASN CA C 56.364 0.1 1 425 306 104 ASN N N 117.412 0.05 1 426 306 104 ASN ND2 N 114.092 0.05 1 427 307 105 GLY H H 8.601 0.01 1 428 307 105 GLY C C 173.155 0.05 1 429 307 105 GLY CA C 45.446 0.1 1 430 307 105 GLY N N 117.366 0.05 1 431 308 106 TYR H H 7.971 0.01 1 432 308 106 TYR HA H 4.094 0.01 1 433 308 106 TYR C C 173.987 0.05 1 434 308 106 TYR CA C 58.854 0.1 1 435 308 106 TYR N N 123.378 0.05 1 436 309 107 ARG H H 7.578 0.01 1 437 309 107 ARG C C 173.418 0.05 1 438 309 107 ARG CA C 55.096 0.1 1 439 309 107 ARG N N 127.277 0.05 1 440 310 108 LEU H H 8.542 0.01 1 441 310 108 LEU CA C 53.113 0.1 1 442 310 108 LEU N N 130.13 0.05 1 443 311 109 GLY H H 8.993 0.01 1 444 311 109 GLY N N 118.197 0.05 1 445 312 110 ASP HA H 4.586 0.01 1 446 312 110 ASP C C 175.433 0.05 1 447 312 110 ASP CA C 53.906 0.1 1 448 312 110 ASP CB C 40.794 0.1 1 449 313 111 LYS H H 7.723 0.01 1 450 313 111 LYS HA H 4.525 0.01 1 451 313 111 LYS C C 174.644 0.05 1 452 313 111 LYS CA C 54.308 0.1 1 453 313 111 LYS N N 119.684 0.05 1 454 314 112 ILE H H 8.12 0.01 1 455 314 112 ILE HA H 4.281 0.01 1 456 314 112 ILE C C 176.883 0.05 1 457 314 112 ILE CA C 59.671 0.1 1 458 314 112 ILE N N 120.695 0.05 1 459 315 113 LEU H H 9.243 0.01 1 460 315 113 LEU HA H 4.499 0.01 1 461 315 113 LEU C C 177.495 0.05 1 462 315 113 LEU CA C 55.577 0.1 1 463 315 113 LEU N N 128.54 0.05 1 464 316 114 GLN H H 8.166 0.01 1 465 316 114 GLN HE21 H 6.818 0.01 2 466 316 114 GLN HE22 H 7.458 0.01 2 467 316 114 GLN C C 174.616 0.05 1 468 316 114 GLN CD C 180.166 0.1 1 469 316 114 GLN N N 121.687 0.05 1 470 316 114 GLN NE2 N 111.149 0.05 1 471 317 115 VAL H H 8.838 0.01 1 472 317 115 VAL C C 173.367 0.05 1 473 317 115 VAL CA C 60.88 0.1 1 474 317 115 VAL N N 125.859 0.05 1 475 318 116 SER H H 8.844 0.01 1 476 318 116 SER C C 173.367 0.05 1 477 318 116 SER CA C 60.15 0.1 1 478 318 116 SER N N 120.249 0.05 1 479 319 117 PHE H H 8.906 0.01 1 480 319 117 PHE C C 177.302 0.05 1 481 319 117 PHE N N 120.271 0.05 1 482 320 118 LYS H H 9.035 0.01 1 483 320 118 LYS C C 176.277 0.05 1 484 320 118 LYS N N 123.341 0.05 1 485 321 119 THR H H 8.317 0.01 1 486 321 119 THR N N 116.363 0.05 1 487 322 120 ASN HD21 H 6.925 0.01 2 488 322 120 ASN HD22 H 7.617 0.01 2 489 322 120 ASN ND2 N 112.744 0.05 1 490 325 123 HIS HA H 4.535 0.01 1 491 325 123 HIS C C 174.108 0.05 1 492 325 123 HIS CA C 56.272 0.1 1 493 325 123 HIS CB C 30.958 0.1 1 494 326 124 LYS H H 7.802 0.01 1 495 326 124 LYS HA H 4.087 0.01 1 496 326 124 LYS CA C 57.652 0.1 1 497 326 124 LYS N N 127.085 0.05 1 stop_ save_