data_19499 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HuR RRM3 W261E mutant ; _BMRB_accession_number 19499 _BMRB_flat_file_name bmr19499.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" 246 "13C chemical shifts" 297 "15N chemical shifts" 118 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-02-05 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19494 'HuR RRM3 WT' 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 W261E mutant' $HUR_RRM3_W261E_mutant 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_W261E_mutant _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HUR_RRM3_W261E_mutant _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; MKHHHHHHPMSDYDIPTTEI SGRENLYFQSGSEFPAETPS GWCIFIYNLGQDADEGILEQ 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 GLU 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 19494 HUR_RRM3_polypeptide 100.00 124 99.19 99.19 8.27e-87 BMRB 19500 HUR_RRM3_S318D_mutant 100.00 124 98.39 98.39 4.85e-86 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_W261E_mutant 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_W261E_mutant '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_W261E_mutant 80 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 W261E mutant' _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 HA H 4.041 0.01 1 2 2 2 LYS H H 8.148 0.01 1 3 2 2 LYS CA C 55.577 0.1 1 4 2 2 LYS N N 119.97 0.05 1 5 9 9 PRO C C 177.049 0.05 1 6 9 9 PRO CA C 63.479 0.1 1 7 9 9 PRO CB C 32.068 0.1 1 8 10 10 MET H H 8.744 0.01 1 9 10 10 MET HA H 4.497 0.01 1 10 10 10 MET C C 176.399 0.05 1 11 10 10 MET CA C 55.574 0.1 1 12 10 10 MET CB C 32.954 0.1 1 13 10 10 MET N N 120.177 0.05 1 14 11 11 SER H H 8.258 0.01 1 15 11 11 SER HA H 4.409 0.01 1 16 11 11 SER C C 174.332 0.05 1 17 11 11 SER CA C 58.454 0.1 1 18 11 11 SER CB C 63.745 0.1 1 19 11 11 SER N N 116.191 0.05 1 20 12 12 ASP H H 8.312 0.01 1 21 12 12 ASP HA H 4.516 0.01 1 22 12 12 ASP C C 175.853 0.05 1 23 12 12 ASP CA C 54.825 0.1 1 24 12 12 ASP CB C 40.85 0.1 1 25 12 12 ASP N N 121.772 0.05 1 26 13 13 TYR H H 7.881 0.01 1 27 13 13 TYR HA H 4.514 0.01 1 28 13 13 TYR C C 175.241 0.05 1 29 13 13 TYR CA C 57.63 0.1 1 30 13 13 TYR CB C 38.761 0.1 1 31 13 13 TYR N N 118.759 0.05 1 32 14 14 ASP H H 8.11 0.01 1 33 14 14 ASP HA H 4.591 0.01 1 34 14 14 ASP C C 175.403 0.05 1 35 14 14 ASP CA C 54.194 0.1 1 36 14 14 ASP CB C 41.302 0.1 1 37 14 14 ASP N N 121.553 0.05 1 38 15 15 ILE H H 7.899 0.01 1 39 15 15 ILE C C 174.539 0.05 1 40 15 15 ILE CA C 58.829 0.1 1 41 15 15 ILE N N 122.202 0.05 1 42 16 16 PRO HA H 4.486 0.01 1 43 16 16 PRO C C 177.202 0.05 1 44 16 16 PRO CA C 63.237 0.1 1 45 16 16 PRO CB C 32.154 0.1 1 46 17 17 THR H H 8.278 0.01 1 47 17 17 THR HA H 4.346 0.01 1 48 17 17 THR C C 174.948 0.05 1 49 17 17 THR CA C 62.138 0.1 1 50 17 17 THR CB C 69.513 0.1 1 51 17 17 THR N N 114.573 0.05 1 52 18 18 THR H H 8.044 0.01 1 53 18 18 THR HA H 4.319 0.01 1 54 18 18 THR C C 174.664 0.05 1 55 18 18 THR CA C 62.074 0.1 1 56 18 18 THR CB C 69.672 0.1 1 57 18 18 THR N N 115.139 0.05 1 58 19 19 GLU H H 8.367 0.01 1 59 19 19 GLU HA H 4.308 0.01 1 60 19 19 GLU C C 176.5 0.05 1 61 19 19 GLU CA C 56.726 0.1 1 62 19 19 GLU CB C 30.263 0.1 1 63 19 19 GLU N N 123.057 0.05 1 64 20 20 ILE H H 8.103 0.01 1 65 20 20 ILE HA H 4.151 0.01 1 66 20 20 ILE C C 176.465 0.05 1 67 20 20 ILE CA C 61.444 0.1 1 68 20 20 ILE CB C 38.725 0.1 1 69 20 20 ILE N N 121.415 0.05 1 70 21 21 SER H H 8.402 0.01 1 71 21 21 SER HA H 4.433 0.01 1 72 21 21 SER C C 175.302 0.05 1 73 21 21 SER CA C 58.778 0.1 1 74 21 21 SER CB C 63.846 0.1 1 75 21 21 SER N N 119.389 0.05 1 76 22 22 GLY H H 8.525 0.01 1 77 22 22 GLY HA2 H 3.994 0.01 2 78 22 22 GLY C C 174.581 0.05 1 79 22 22 GLY CA C 45.686 0.1 1 80 22 22 GLY N N 111.31 0.05 1 81 23 23 ARG H H 8.12 0.01 1 82 23 23 ARG HA H 4.273 0.01 1 83 23 23 ARG C C 176.548 0.05 1 84 23 23 ARG CA C 56.447 0.1 1 85 23 23 ARG CB C 30.688 0.1 1 86 23 23 ARG N N 120.2 0.05 1 87 24 24 GLU H H 8.665 0.01 1 88 24 24 GLU HA H 4.142 0.01 1 89 24 24 GLU C C 176.449 0.05 1 90 24 24 GLU CA C 57.545 0.1 1 91 24 24 GLU CB C 29.921 0.1 1 92 24 24 GLU N N 120.786 0.05 1 93 25 25 ASN H H 8.315 0.01 1 94 25 25 ASN HA H 4.6 0.01 1 95 25 25 ASN HD21 H 6.878 0.01 2 96 25 25 ASN HD22 H 7.515 0.01 2 97 25 25 ASN C C 175.25 0.05 1 98 25 25 ASN CA C 53.609 0.1 1 99 25 25 ASN CB C 38.694 0.1 1 100 25 25 ASN CG C 176.922 0.1 1 101 25 25 ASN N N 118.476 0.05 1 102 25 25 ASN ND2 N 112.69 0.05 1 103 26 26 LEU H H 7.968 0.01 1 104 26 26 LEU HA H 4.161 0.01 1 105 26 26 LEU C C 177.108 0.05 1 106 26 26 LEU CA C 55.678 0.1 1 107 26 26 LEU CB C 42.194 0.1 1 108 26 26 LEU N N 121.61 0.05 1 109 27 27 TYR H H 7.925 0.01 1 110 27 27 TYR HA H 4.408 0.01 1 111 27 27 TYR C C 175.622 0.05 1 112 27 27 TYR CA C 58.114 0.1 1 113 27 27 TYR CB C 38.502 0.1 1 114 27 27 TYR N N 119.107 0.05 1 115 28 28 PHE H H 7.878 0.01 1 116 28 28 PHE HA H 4.267 0.01 1 117 28 28 PHE C C 175.411 0.05 1 118 28 28 PHE CA C 57.725 0.1 1 119 28 28 PHE N N 120.322 0.05 1 120 29 29 GLN H H 8.145 0.01 1 121 29 29 GLN HA H 4.322 0.01 1 122 29 29 GLN HE21 H 6.817 0.01 2 123 29 29 GLN HE22 H 7.437 0.01 2 124 29 29 GLN C C 175.849 0.05 1 125 29 29 GLN CA C 55.894 0.1 1 126 29 29 GLN CG C 33.799 0.1 1 127 29 29 GLN CD C 180.349 0.1 1 128 29 29 GLN N N 121.441 0.05 1 129 29 29 GLN NE2 N 112.152 0.05 1 130 30 30 SER HA H 4.36 0.01 1 131 31 31 GLY HA2 H 3.931 0.01 2 132 31 31 GLY HA3 H 4.033 0.01 2 133 31 31 GLY C C 174.317 0.05 1 134 31 31 GLY CA C 45.549 0.1 1 135 32 32 SER H H 8.127 0.01 1 136 32 32 SER HA H 4.387 0.01 1 137 32 32 SER C C 174.309 0.05 1 138 32 32 SER CA C 58.435 0.1 1 139 32 32 SER CB C 63.694 0.1 1 140 32 32 SER N N 115.289 0.05 1 141 33 33 GLU H H 8.431 0.01 1 142 33 33 GLU HA H 4.174 0.01 1 143 33 33 GLU C C 175.616 0.05 1 144 33 33 GLU CA C 56.709 0.1 1 145 33 33 GLU CB C 30.223 0.1 1 146 33 33 GLU N N 121.934 0.05 1 147 34 34 PHE H H 8.056 0.01 1 148 34 34 PHE C C 173.77 0.05 1 149 34 34 PHE CA C 55.425 0.1 1 150 34 34 PHE N N 120.881 0.05 1 151 35 35 PRO HA H 4.349 0.01 1 152 35 35 PRO C C 176.22 0.05 1 153 35 35 PRO CA C 63.041 0.1 1 154 35 35 PRO CB C 31.909 0.1 1 155 36 36 ALA H H 8.296 0.01 1 156 36 36 ALA HA H 4.256 0.01 1 157 36 36 ALA C C 177.444 0.05 1 158 36 36 ALA CA C 52.437 0.1 1 159 36 36 ALA CB C 19.475 0.1 1 160 36 36 ALA N N 124.124 0.05 1 161 37 37 GLU H H 8.259 0.01 1 162 37 37 GLU HA H 4.133 0.01 1 163 37 37 GLU C C 176.107 0.05 1 164 37 37 GLU CA C 56.357 0.1 1 165 37 37 GLU CB C 30.441 0.1 1 166 37 37 GLU N N 119.822 0.05 1 167 38 38 THR H H 8.148 0.01 1 168 38 38 THR C C 173.176 0.05 1 169 38 38 THR CA C 59.544 0.1 1 170 38 38 THR N N 117.421 0.05 1 171 39 39 PRO HA H 4.347 0.01 1 172 39 39 PRO C C 176.678 0.05 1 173 39 39 PRO CA C 63.621 0.1 1 174 40 40 SER H H 8.076 0.01 1 175 40 40 SER HA H 4.355 0.01 1 176 40 40 SER C C 173.979 0.05 1 177 40 40 SER CA C 58.115 0.1 1 178 40 40 SER CB C 63.722 0.1 1 179 40 40 SER N N 114.2 0.05 1 180 41 41 GLY H H 7.789 0.01 1 181 41 41 GLY HA2 H 3.777 0.01 2 182 41 41 GLY HA3 H 3.982 0.01 2 183 41 41 GLY C C 172.429 0.05 1 184 41 41 GLY CA C 44.585 0.1 1 185 41 41 GLY N N 109.541 0.05 1 186 244 42 TRP H H 8.875 0.01 1 187 244 42 TRP HA H 4.645 0.01 1 188 244 42 TRP HE1 H 10.179 0.01 1 189 244 42 TRP C C 174.444 0.05 1 190 244 42 TRP N N 122.326 0.05 1 191 244 42 TRP NE1 N 128.863 0.05 1 192 245 43 CYS H H 9.111 0.01 1 193 245 43 CYS HA H 4.962 0.01 1 194 245 43 CYS N N 124.113 0.05 1 195 246 44 ILE H H 9.809 0.01 1 196 246 44 ILE HA H 4.454 0.01 1 197 246 44 ILE C C 174.184 0.05 1 198 246 44 ILE CA C 61.254 0.1 1 199 246 44 ILE N N 132.06 0.05 1 200 247 45 PHE H H 9.502 0.01 1 201 247 45 PHE HA H 5.127 0.01 1 202 247 45 PHE C C 173.735 0.05 1 203 247 45 PHE CA C 55.644 0.1 1 204 247 45 PHE N N 127.596 0.05 1 205 248 46 ILE H H 8.335 0.01 1 206 248 46 ILE HA H 4.882 0.01 1 207 248 46 ILE C C 172.871 0.05 1 208 248 46 ILE CA C 60.625 0.1 1 209 248 46 ILE N N 125.512 0.05 1 210 249 47 TYR H H 9.089 0.01 1 211 249 47 TYR HA H 4.97 0.01 1 212 249 47 TYR CA C 56.38 0.1 1 213 249 47 TYR N N 124.31 0.05 1 214 250 48 ASN H H 7.538 0.01 1 215 250 48 ASN HA H 4.202 0.01 1 216 250 48 ASN HD21 H 6.823 0.01 2 217 250 48 ASN HD22 H 7.949 0.01 2 218 250 48 ASN C C 174.287 0.05 1 219 250 48 ASN CA C 54.126 0.1 1 220 250 48 ASN N N 117.222 0.05 1 221 250 48 ASN ND2 N 111.295 0.05 1 222 251 49 LEU H H 7.226 0.01 1 223 251 49 LEU HA H 3.896 0.01 1 224 251 49 LEU C C 178.208 0.05 1 225 251 49 LEU CA C 54.384 0.1 1 226 251 49 LEU CB C 44.457 0.1 1 227 251 49 LEU N N 113.605 0.05 1 228 252 50 GLY H H 8.452 0.01 1 229 252 50 GLY HA2 H 3.886 0.01 2 230 252 50 GLY HA3 H 4.038 0.01 2 231 252 50 GLY C C 174.359 0.05 1 232 252 50 GLY CA C 44.208 0.1 1 233 252 50 GLY N N 108.042 0.05 1 234 253 51 GLN H H 8.514 0.01 1 235 253 51 GLN HA H 4.321 0.01 1 236 253 51 GLN HE21 H 6.79 0.01 2 237 253 51 GLN HE22 H 7.458 0.01 2 238 253 51 GLN C C 176.469 0.05 1 239 253 51 GLN CA C 58.27 0.1 1 240 253 51 GLN CB C 29.113 0.1 1 241 253 51 GLN CG C 34.255 0.1 1 242 253 51 GLN CD C 180.455 0.1 1 243 253 51 GLN N N 116.164 0.05 1 244 253 51 GLN NE2 N 111.982 0.05 1 245 254 52 ASP H H 8.596 0.01 1 246 254 52 ASP HA H 4.784 0.01 1 247 254 52 ASP C C 175.915 0.05 1 248 254 52 ASP CA C 53.237 0.1 1 249 254 52 ASP CB C 40.395 0.1 1 250 254 52 ASP N N 116.563 0.05 1 251 255 53 ALA H H 7.154 0.01 1 252 255 53 ALA HA H 4.025 0.01 1 253 255 53 ALA C C 175.063 0.05 1 254 255 53 ALA CA C 53.628 0.1 1 255 255 53 ALA CB C 20.383 0.1 1 256 255 53 ALA N N 123.211 0.05 1 257 256 54 ASP H H 6.92 0.01 1 258 256 54 ASP HA H 4.543 0.01 1 259 256 54 ASP C C 174.716 0.05 1 260 256 54 ASP CA C 52.281 0.1 1 261 256 54 ASP CB C 43.898 0.1 1 262 256 54 ASP N N 116.012 0.05 1 263 257 55 GLU H H 9.785 0.01 1 264 257 55 GLU HA H 3.565 0.01 1 265 257 55 GLU C C 178.143 0.05 1 266 257 55 GLU CA C 62.12 0.1 1 267 257 55 GLU CB C 28.218 0.1 1 268 257 55 GLU N N 119.726 0.05 1 269 258 56 GLY H H 8.387 0.01 1 270 258 56 GLY HA2 H 3.917 0.01 2 271 258 56 GLY C C 177.003 0.05 1 272 258 56 GLY CA C 47.287 0.1 1 273 258 56 GLY N N 107.453 0.05 1 274 259 57 ILE H H 7.83 0.01 1 275 259 57 ILE HA H 3.999 0.01 1 276 259 57 ILE C C 178.495 0.05 1 277 259 57 ILE CA C 63.098 0.1 1 278 259 57 ILE CB C 37.778 0.1 1 279 259 57 ILE N N 122.094 0.05 1 280 260 58 LEU H H 7.248 0.01 1 281 260 58 LEU HA H 4.297 0.01 1 282 260 58 LEU C C 179.455 0.05 1 283 260 58 LEU CA C 58.109 0.1 1 284 260 58 LEU CB C 41.57 0.1 1 285 260 58 LEU N N 119.174 0.05 1 286 261 59 GLU H H 8.709 0.01 1 287 261 59 GLU HA H 3.842 0.01 1 288 261 59 GLU C C 179.861 0.05 1 289 261 59 GLU CA C 60.954 0.1 1 290 261 59 GLU CB C 29.773 0.1 1 291 261 59 GLU N N 120.179 0.05 1 292 262 60 GLN H H 8.049 0.01 1 293 262 60 GLN HA H 4.098 0.01 1 294 262 60 GLN HE21 H 6.932 0.01 2 295 262 60 GLN HE22 H 7.63 0.01 2 296 262 60 GLN C C 177.942 0.05 1 297 262 60 GLN CA C 58.379 0.1 1 298 262 60 GLN CB C 28.925 0.1 1 299 262 60 GLN CG C 33.893 0.1 1 300 262 60 GLN CD C 180.386 0.1 1 301 262 60 GLN N N 117.666 0.05 1 302 262 60 GLN NE2 N 112.266 0.05 1 303 263 61 MET H H 7.857 0.01 1 304 263 61 MET HA H 4.039 0.01 1 305 263 61 MET C C 177.054 0.05 1 306 263 61 MET CA C 58.463 0.1 1 307 263 61 MET N N 117.068 0.05 1 308 264 62 PHE H H 8.1 0.01 1 309 264 62 PHE HA H 4.382 0.01 1 310 264 62 PHE C C 176.369 0.05 1 311 264 62 PHE CA C 61.167 0.1 1 312 264 62 PHE N N 113.948 0.05 1 313 265 63 GLY H H 8.206 0.01 1 314 265 63 GLY HA2 H 4.208 0.01 2 315 265 63 GLY HA3 H 4.3 0.01 2 316 265 63 GLY CA C 47.996 0.1 1 317 265 63 GLY N N 107.589 0.05 1 318 266 64 PRO HA H 4.154 0.01 1 319 266 64 PRO C C 177.418 0.05 1 320 266 64 PRO CA C 64.79 0.1 1 321 267 65 PHE H H 7.961 0.01 1 322 267 65 PHE HA H 4.198 0.01 1 323 267 65 PHE C C 175.176 0.05 1 324 267 65 PHE CA C 59.697 0.1 1 325 267 65 PHE CB C 39.672 0.1 1 326 267 65 PHE N N 112.78 0.05 1 327 268 66 GLY H H 7.533 0.01 1 328 268 66 GLY HA2 H 3.657 0.01 2 329 268 66 GLY HA3 H 4.483 0.01 2 330 268 66 GLY C C 171.192 0.05 1 331 268 66 GLY CA C 44.458 0.1 1 332 268 66 GLY N N 105.223 0.05 1 333 269 67 ALA H H 7.829 0.01 1 334 269 67 ALA HA H 4.244 0.01 1 335 269 67 ALA C C 177.842 0.05 1 336 269 67 ALA CA C 53.647 0.1 1 337 269 67 ALA CB C 18.798 0.1 1 338 269 67 ALA N N 120.251 0.05 1 339 270 68 VAL H H 8.542 0.01 1 340 270 68 VAL HA H 4.692 0.01 1 341 270 68 VAL C C 177.097 0.05 1 342 270 68 VAL CA C 60.963 0.1 1 343 270 68 VAL N N 124.732 0.05 1 344 271 69 THR H H 8.89 0.01 1 345 271 69 THR HA H 4.508 0.01 1 346 271 69 THR C C 174.602 0.05 1 347 271 69 THR CA C 61.504 0.1 1 348 271 69 THR CB C 69.656 0.1 1 349 271 69 THR N N 116.946 0.05 1 350 272 70 ASN H H 7.575 0.01 1 351 272 70 ASN HA H 4.772 0.01 1 352 272 70 ASN HD21 H 6.832 0.01 2 353 272 70 ASN HD22 H 7.617 0.01 2 354 272 70 ASN C C 172.857 0.05 1 355 272 70 ASN CA C 54.171 0.1 1 356 272 70 ASN CB C 41.603 0.1 1 357 272 70 ASN CG C 176.865 0.1 1 358 272 70 ASN N N 118.058 0.05 1 359 272 70 ASN ND2 N 112.005 0.05 1 360 273 71 VAL H H 8.177 0.01 1 361 273 71 VAL HA H 4.626 0.01 1 362 273 71 VAL C C 174.16 0.05 1 363 273 71 VAL CA C 61.362 0.1 1 364 273 71 VAL N N 120.421 0.05 1 365 274 72 LYS H H 8.85 0.01 1 366 274 72 LYS HA H 4.782 0.01 1 367 274 72 LYS C C 174.678 0.05 1 368 274 72 LYS CA C 55.327 0.1 1 369 274 72 LYS CB C 36.208 0.1 1 370 274 72 LYS N N 125.125 0.05 1 371 275 73 VAL H H 8.603 0.01 1 372 275 73 VAL HA H 4.153 0.01 1 373 275 73 VAL C C 174.529 0.05 1 374 275 73 VAL CA C 61.618 0.1 1 375 275 73 VAL CB C 33.423 0.1 1 376 275 73 VAL N N 123.255 0.05 1 377 276 74 ILE H H 7.907 0.01 1 378 276 74 ILE HA H 4.179 0.01 1 379 276 74 ILE C C 175.733 0.05 1 380 276 74 ILE CA C 59.347 0.1 1 381 276 74 ILE N N 126.244 0.05 1 382 277 75 ARG H H 8.683 0.01 1 383 277 75 ARG HA H 4.859 0.01 1 384 277 75 ARG C C 175.749 0.05 1 385 277 75 ARG CA C 54.52 0.1 1 386 277 75 ARG CB C 33.516 0.1 1 387 277 75 ARG N N 127.347 0.05 1 388 278 76 ASP H H 8.446 0.01 1 389 278 76 ASP CA C 53.887 0.1 1 390 278 76 ASP N N 121.635 0.05 1 391 279 77 PHE HA H 4.358 0.01 1 392 279 77 PHE C C 176.379 0.05 1 393 279 77 PHE CA C 60.15 0.1 1 394 279 77 PHE CB C 39.18 0.1 1 395 280 78 ASN H H 8.685 0.01 1 396 280 78 ASN HA H 4.58 0.01 1 397 280 78 ASN HD21 H 7.008 0.01 2 398 280 78 ASN HD22 H 7.879 0.01 2 399 280 78 ASN C C 176.764 0.05 1 400 280 78 ASN CA C 55.439 0.1 1 401 280 78 ASN CB C 39.105 0.1 1 402 280 78 ASN CG C 176.656 0.1 1 403 280 78 ASN N N 115.879 0.05 1 404 280 78 ASN ND2 N 114.162 0.05 1 405 281 79 THR H H 8.154 0.01 1 406 281 79 THR HA H 4.388 0.01 1 407 281 79 THR C C 175.621 0.05 1 408 281 79 THR CA C 61.675 0.1 1 409 281 79 THR CB C 71.02 0.1 1 410 281 79 THR N N 107.873 0.05 1 411 282 80 ASN H H 8.396 0.01 1 412 282 80 ASN HA H 4.463 0.01 1 413 282 80 ASN HD21 H 6.797 0.01 2 414 282 80 ASN HD22 H 7.51 0.01 2 415 282 80 ASN C C 174.294 0.05 1 416 282 80 ASN CA C 54.758 0.1 1 417 282 80 ASN CB C 38.67 0.1 1 418 282 80 ASN CG C 178.118 0.1 1 419 282 80 ASN N N 117.202 0.05 1 420 282 80 ASN ND2 N 112.052 0.05 1 421 283 81 LYS H H 7.724 0.01 1 422 283 81 LYS HA H 4.581 0.01 1 423 283 81 LYS C C 176.42 0.05 1 424 283 81 LYS CA C 54.563 0.1 1 425 283 81 LYS N N 116.738 0.05 1 426 284 82 CYS H H 8.883 0.01 1 427 284 82 CYS HA H 4.286 0.01 1 428 284 82 CYS C C 176.071 0.05 1 429 284 82 CYS CA C 59.206 0.1 1 430 284 82 CYS N N 121.608 0.05 1 431 285 83 LYS H H 9.14 0.01 1 432 285 83 LYS HA H 4.296 0.01 1 433 285 83 LYS C C 175.825 0.05 1 434 285 83 LYS CA C 57.111 0.1 1 435 285 83 LYS CB C 33.437 0.1 1 436 285 83 LYS N N 128.828 0.05 1 437 286 84 GLY H H 8.459 0.01 1 438 286 84 GLY HA2 H 3.94 0.01 2 439 286 84 GLY HA3 H 4.536 0.01 2 440 286 84 GLY C C 172.831 0.05 1 441 286 84 GLY CA C 44.077 0.1 1 442 286 84 GLY N N 107.105 0.05 1 443 287 85 PHE H H 6.77 0.01 1 444 287 85 PHE HA H 5.571 0.01 1 445 287 85 PHE C C 172.99 0.05 1 446 287 85 PHE CA C 54.532 0.1 1 447 287 85 PHE CB C 42.083 0.1 1 448 287 85 PHE N N 115.656 0.05 1 449 288 86 GLY H H 8.654 0.01 1 450 288 86 GLY HA2 H 3.725 0.01 2 451 288 86 GLY HA3 H 4.239 0.01 2 452 288 86 GLY C C 169.295 0.05 1 453 288 86 GLY CA C 45.237 0.1 1 454 288 86 GLY N N 105.975 0.05 1 455 289 87 PHE H H 9.052 0.01 1 456 289 87 PHE HA H 5.888 0.01 1 457 289 87 PHE C C 174.484 0.05 1 458 289 87 PHE CA C 56.242 0.1 1 459 289 87 PHE N N 114.738 0.05 1 460 290 88 VAL H H 8.897 0.01 1 461 290 88 VAL HA H 4.641 0.01 1 462 290 88 VAL C C 174.411 0.05 1 463 290 88 VAL CA C 60.278 0.1 1 464 290 88 VAL N N 119.166 0.05 1 465 291 89 THR H H 8.758 0.01 1 466 291 89 THR HA H 5.336 0.01 1 467 291 89 THR C C 173.948 0.05 1 468 291 89 THR CA C 61.376 0.1 1 469 291 89 THR N N 120.135 0.05 1 470 292 90 MET H H 8.853 0.01 1 471 292 90 MET HA H 5.324 0.01 1 472 292 90 MET C C 175.771 0.05 1 473 292 90 MET CA C 54.953 0.1 1 474 292 90 MET N N 124.503 0.05 1 475 293 91 THR H H 7.604 0.01 1 476 293 91 THR HA H 4.193 0.01 1 477 293 91 THR C C 174.389 0.05 1 478 293 91 THR CA C 65.92 0.1 1 479 293 91 THR N N 116.535 0.05 1 480 294 92 ASN H H 9.432 0.01 1 481 294 92 ASN HA H 5.288 0.01 1 482 294 92 ASN HD21 H 7.193 0.01 2 483 294 92 ASN HD22 H 7.898 0.01 2 484 294 92 ASN C C 174.736 0.05 1 485 294 92 ASN CA C 52.764 0.1 1 486 294 92 ASN CB C 40.199 0.1 1 487 294 92 ASN N N 119.527 0.05 1 488 294 92 ASN ND2 N 115.368 0.05 1 489 295 93 TYR H H 9.052 0.01 1 490 295 93 TYR HA H 2.899 0.01 1 491 295 93 TYR C C 175.818 0.05 1 492 295 93 TYR CA C 62.412 0.1 1 493 295 93 TYR N N 128.238 0.05 1 494 296 94 GLU H H 8.968 0.01 1 495 296 94 GLU HA H 3.751 0.01 1 496 296 94 GLU C C 180.006 0.05 1 497 296 94 GLU CA C 59.93 0.1 1 498 296 94 GLU CB C 28.837 0.1 1 499 296 94 GLU N N 115.995 0.05 1 500 297 95 GLU H H 7.193 0.01 1 501 297 95 GLU HA H 4.117 0.01 1 502 297 95 GLU C C 177.768 0.05 1 503 297 95 GLU CA C 58.985 0.1 1 504 297 95 GLU CB C 29.08 0.1 1 505 297 95 GLU N N 119.723 0.05 1 506 298 96 ALA H H 7.924 0.01 1 507 298 96 ALA HA H 4.396 0.01 1 508 298 96 ALA C C 178.996 0.05 1 509 298 96 ALA CA C 54.461 0.1 1 510 298 96 ALA CB C 18.259 0.1 1 511 298 96 ALA N N 122.536 0.05 1 512 299 97 ALA H H 8.734 0.01 1 513 299 97 ALA HA H 3.638 0.01 1 514 299 97 ALA C C 181.102 0.05 1 515 299 97 ALA CA C 54.934 0.1 1 516 299 97 ALA CB C 17.135 0.1 1 517 299 97 ALA N N 118.531 0.05 1 518 300 98 MET H H 7.6 0.01 1 519 300 98 MET HA H 4.171 0.01 1 520 300 98 MET C C 178.254 0.05 1 521 300 98 MET CA C 57.835 0.1 1 522 300 98 MET CB C 32.275 0.1 1 523 300 98 MET N N 119.209 0.05 1 524 301 99 ALA H H 8.009 0.01 1 525 301 99 ALA HA H 2.075 0.01 1 526 301 99 ALA C C 179.115 0.05 1 527 301 99 ALA CA C 54.738 0.1 1 528 301 99 ALA CB C 18.211 0.1 1 529 301 99 ALA N N 125.256 0.05 1 530 302 100 ILE H H 8.095 0.01 1 531 302 100 ILE HA H 3.08 0.01 1 532 302 100 ILE C C 177.435 0.05 1 533 302 100 ILE CA C 65.846 0.1 1 534 302 100 ILE CB C 38.466 0.1 1 535 302 100 ILE N N 117.422 0.05 1 536 303 101 ALA H H 7.607 0.01 1 537 303 101 ALA HA H 4.025 0.01 1 538 303 101 ALA C C 180.277 0.05 1 539 303 101 ALA CA C 54.486 0.1 1 540 303 101 ALA CB C 18.159 0.1 1 541 303 101 ALA N N 118.88 0.05 1 542 304 102 SER H H 7.446 0.01 1 543 304 102 SER HA H 4.354 0.01 1 544 304 102 SER C C 175.4 0.05 1 545 304 102 SER CA C 60.891 0.1 1 546 304 102 SER CB C 64.467 0.1 1 547 304 102 SER N N 110.819 0.05 1 548 305 103 LEU H H 8.135 0.01 1 549 305 103 LEU HA H 4.301 0.01 1 550 305 103 LEU C C 177.307 0.05 1 551 305 103 LEU CA C 55.164 0.1 1 552 305 103 LEU N N 118.837 0.05 1 553 306 104 ASN H H 8.091 0.01 1 554 306 104 ASN HA H 4.373 0.01 1 555 306 104 ASN HD21 H 6.953 0.01 2 556 306 104 ASN HD22 H 7.714 0.01 2 557 306 104 ASN C C 176.611 0.05 1 558 306 104 ASN CA C 56.427 0.1 1 559 306 104 ASN N N 117.603 0.05 1 560 306 104 ASN ND2 N 114.234 0.05 1 561 307 105 GLY H H 8.62 0.01 1 562 307 105 GLY HA2 H 3.56 0.01 2 563 307 105 GLY HA3 H 4.258 0.01 2 564 307 105 GLY C C 173.216 0.05 1 565 307 105 GLY CA C 45.545 0.1 1 566 307 105 GLY N N 117.525 0.05 1 567 308 106 TYR H H 7.976 0.01 1 568 308 106 TYR HA H 4.113 0.01 1 569 308 106 TYR C C 174.027 0.05 1 570 308 106 TYR CA C 58.774 0.1 1 571 308 106 TYR CB C 40.191 0.1 1 572 308 106 TYR N N 123.549 0.05 1 573 309 107 ARG H H 7.564 0.01 1 574 309 107 ARG HA H 4.706 0.01 1 575 309 107 ARG C C 173.458 0.05 1 576 309 107 ARG CA C 55.185 0.1 1 577 309 107 ARG CB C 30.153 0.1 1 578 309 107 ARG N N 127.37 0.05 1 579 310 108 LEU H H 8.526 0.01 1 580 310 108 LEU HA H 4.632 0.01 1 581 310 108 LEU C C 176.602 0.05 1 582 310 108 LEU CA C 53.158 0.1 1 583 310 108 LEU N N 130.196 0.05 1 584 311 109 GLY H H 8.993 0.01 1 585 311 109 GLY HA2 H 3.616 0.01 2 586 311 109 GLY HA3 H 3.985 0.01 2 587 311 109 GLY C C 174.248 0.05 1 588 311 109 GLY CA C 47.404 0.1 1 589 311 109 GLY N N 118.344 0.05 1 590 312 110 ASP H H 8.71 0.01 1 591 312 110 ASP HA H 4.563 0.01 1 592 312 110 ASP C C 175.504 0.05 1 593 312 110 ASP CA C 53.873 0.1 1 594 312 110 ASP CB C 40.82 0.1 1 595 312 110 ASP N N 125.122 0.05 1 596 313 111 LYS H H 7.703 0.01 1 597 313 111 LYS HA H 4.491 0.01 1 598 313 111 LYS C C 174.705 0.05 1 599 313 111 LYS CA C 54.396 0.1 1 600 313 111 LYS CB C 35.253 0.1 1 601 313 111 LYS N N 119.756 0.05 1 602 314 112 ILE H H 8.116 0.01 1 603 314 112 ILE HA H 4.295 0.01 1 604 314 112 ILE C C 176.994 0.05 1 605 314 112 ILE CA C 59.758 0.1 1 606 314 112 ILE CB C 37.402 0.1 1 607 314 112 ILE N N 120.723 0.05 1 608 315 113 LEU H H 9.223 0.01 1 609 315 113 LEU HA H 4.313 0.01 1 610 315 113 LEU C C 177.583 0.05 1 611 315 113 LEU CA C 55.72 0.1 1 612 315 113 LEU N N 128.705 0.05 1 613 316 114 GLN H H 8.176 0.01 1 614 316 114 GLN HA H 5.022 0.01 1 615 316 114 GLN HE21 H 6.823 0.01 2 616 316 114 GLN HE22 H 7.462 0.01 2 617 316 114 GLN C C 174.732 0.05 1 618 316 114 GLN CA C 54.305 0.1 1 619 316 114 GLN CB C 30.576 0.1 1 620 316 114 GLN CG C 33.614 0.1 1 621 316 114 GLN CD C 180.232 0.1 1 622 316 114 GLN N N 121.722 0.05 1 623 316 114 GLN NE2 N 111.297 0.05 1 624 317 115 VAL H H 8.838 0.01 1 625 317 115 VAL HA H 5.167 0.01 1 626 317 115 VAL C C 174.235 0.05 1 627 317 115 VAL CA C 60.905 0.1 1 628 317 115 VAL CB C 34.959 0.1 1 629 317 115 VAL N N 125.813 0.05 1 630 318 116 SER H H 8.908 0.01 1 631 318 116 SER HA H 4.645 0.01 1 632 318 116 SER C C 173.436 0.05 1 633 318 116 SER CA C 57.325 0.1 1 634 318 116 SER CB C 65.742 0.1 1 635 318 116 SER N N 118.109 0.05 1 636 319 117 PHE H H 8.86 0.01 1 637 319 117 PHE HA H 4.994 0.01 1 638 319 117 PHE C C 177.369 0.05 1 639 319 117 PHE CA C 60.342 0.1 1 640 319 117 PHE N N 120.293 0.05 1 641 320 118 LYS H H 9.054 0.01 1 642 320 118 LYS HA H 4.266 0.01 1 643 320 118 LYS C C 175.75 0.05 1 644 320 118 LYS CA C 56.996 0.1 1 645 320 118 LYS N N 123.561 0.05 1 646 321 119 THR H H 8.317 0.01 1 647 321 119 THR N N 116.93 0.05 1 648 322 120 ASN HD21 H 6.861 0.01 2 649 322 120 ASN HD22 H 7.546 0.01 2 650 322 120 ASN CA C 53.431 0.1 1 651 322 120 ASN CB C 38.801 0.1 1 652 322 120 ASN CG C 176.907 0.1 1 653 322 120 ASN ND2 N 112.747 0.05 1 654 325 123 HIS HA H 4.573 0.01 1 655 325 123 HIS C C 174.103 0.05 1 656 325 123 HIS CA C 56.241 0.1 1 657 325 123 HIS CB C 30.929 0.1 1 658 326 124 LYS H H 7.84 0.01 1 659 326 124 LYS C C 181.106 0.05 1 660 326 124 LYS CA C 57.743 0.1 1 661 326 124 LYS N N 127.253 0.05 1 stop_ save_