data_18760 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 15N, 1H, and CA Chemical Shift Assignments for Y254L/T257A IkappaBalpha (67-287) ; _BMRB_accession_number 18760 _BMRB_flat_file_name bmr18760.str _Entry_type original _Submission_date 2012-10-02 _Accession_date 2012-10-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; The effects of consensus mutations, Y254L/T257A and C186P/A220P, on the structure and dynamics of the AR domain of IkappaBalpha were investigated by NMR. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cervantes Carla F. . 2 Handley Lindsey D. . 3 Komives Elizabeth A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 188 "13C chemical shifts" 201 "15N chemical shifts" 188 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-22 update BMRB 'update entry citation' 2013-02-07 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18756 'WT IkappaBalpha (67-287)' 18759 'C186P/A220P IkappaBalpha (67-287)' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Long-Range Effects and Functional Consequences of Stabilizing Mutations in the Ankyrin Repeat Domain of IB.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23274114 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cervantes Carla F. . 2 Handley Lindsey D. . 3 Sue Shih-Che . . 4 Dyson 'H. Jane' . . 5 Komives Elizabeth A. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 425 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 902 _Page_last 913 _Year 2013 _Details . loop_ _Keyword 'ankyrin repeat' 'chemical shift difference' PEST proteasome relaxation stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'YLTA IkappaBalpha' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'YLTA IkappaBalpha' $YLTA_IkappaBalpha 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_YLTA_IkappaBalpha _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common YLTA_IkappaBalpha _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Inhibitor of transcription factor NFkappaB' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 221 _Mol_residue_sequence ; KQQLTEDGDSFLHLAIIHEE KALTMEVIRQVKGDLAFLNF QNNLQQTPLHLAVITNQPEI AEALLGAGCDPELRDFRGNT PLHLACEQGCLASVGVLTQS CTTPHLHSILKATNYNGHTC LHLASIHGYLGIVELLVSLG ADVNAQEPCNGRTALHLAVD LQNPDLVSLLLKCGADVNRV TYQGYSPLQLAWGRPSTRIQ QQLGQLTLENLQMLPESEDE E ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 67 LYS 2 68 GLN 3 69 GLN 4 70 LEU 5 71 THR 6 72 GLU 7 73 ASP 8 74 GLY 9 75 ASP 10 76 SER 11 77 PHE 12 78 LEU 13 79 HIS 14 80 LEU 15 81 ALA 16 82 ILE 17 83 ILE 18 84 HIS 19 85 GLU 20 86 GLU 21 87 LYS 22 88 ALA 23 89 LEU 24 90 THR 25 91 MET 26 92 GLU 27 93 VAL 28 94 ILE 29 95 ARG 30 96 GLN 31 97 VAL 32 98 LYS 33 99 GLY 34 100 ASP 35 101 LEU 36 102 ALA 37 103 PHE 38 104 LEU 39 105 ASN 40 106 PHE 41 107 GLN 42 108 ASN 43 109 ASN 44 110 LEU 45 111 GLN 46 112 GLN 47 113 THR 48 114 PRO 49 115 LEU 50 116 HIS 51 117 LEU 52 118 ALA 53 119 VAL 54 120 ILE 55 121 THR 56 122 ASN 57 123 GLN 58 124 PRO 59 125 GLU 60 126 ILE 61 127 ALA 62 128 GLU 63 129 ALA 64 130 LEU 65 131 LEU 66 132 GLY 67 133 ALA 68 134 GLY 69 135 CYS 70 136 ASP 71 137 PRO 72 138 GLU 73 139 LEU 74 140 ARG 75 141 ASP 76 142 PHE 77 143 ARG 78 144 GLY 79 145 ASN 80 146 THR 81 147 PRO 82 148 LEU 83 149 HIS 84 150 LEU 85 151 ALA 86 152 CYS 87 153 GLU 88 154 GLN 89 155 GLY 90 156 CYS 91 157 LEU 92 158 ALA 93 159 SER 94 160 VAL 95 161 GLY 96 162 VAL 97 163 LEU 98 164 THR 99 165 GLN 100 166 SER 101 167 CYS 102 168 THR 103 169 THR 104 170 PRO 105 171 HIS 106 172 LEU 107 173 HIS 108 174 SER 109 175 ILE 110 176 LEU 111 177 LYS 112 178 ALA 113 179 THR 114 180 ASN 115 181 TYR 116 182 ASN 117 183 GLY 118 184 HIS 119 185 THR 120 186 CYS 121 187 LEU 122 188 HIS 123 189 LEU 124 190 ALA 125 191 SER 126 192 ILE 127 193 HIS 128 194 GLY 129 195 TYR 130 196 LEU 131 197 GLY 132 198 ILE 133 199 VAL 134 200 GLU 135 201 LEU 136 202 LEU 137 203 VAL 138 204 SER 139 205 LEU 140 206 GLY 141 207 ALA 142 208 ASP 143 209 VAL 144 210 ASN 145 211 ALA 146 212 GLN 147 213 GLU 148 214 PRO 149 215 CYS 150 216 ASN 151 217 GLY 152 218 ARG 153 219 THR 154 220 ALA 155 221 LEU 156 222 HIS 157 223 LEU 158 224 ALA 159 225 VAL 160 226 ASP 161 227 LEU 162 228 GLN 163 229 ASN 164 230 PRO 165 231 ASP 166 232 LEU 167 233 VAL 168 234 SER 169 235 LEU 170 236 LEU 171 237 LEU 172 238 LYS 173 239 CYS 174 240 GLY 175 241 ALA 176 242 ASP 177 243 VAL 178 244 ASN 179 245 ARG 180 246 VAL 181 247 THR 182 248 TYR 183 249 GLN 184 250 GLY 185 251 TYR 186 252 SER 187 253 PRO 188 254 LEU 189 255 GLN 190 256 LEU 191 257 ALA 192 258 TRP 193 259 GLY 194 260 ARG 195 261 PRO 196 262 SER 197 263 THR 198 264 ARG 199 265 ILE 200 266 GLN 201 267 GLN 202 268 GLN 203 269 LEU 204 270 GLY 205 271 GLN 206 272 LEU 207 273 THR 208 274 LEU 209 275 GLU 210 276 ASN 211 277 LEU 212 278 GLN 213 279 MET 214 280 LEU 215 281 PRO 216 282 GLU 217 283 SER 218 284 GLU 219 285 ASP 220 286 GLU 221 287 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 18756 WT_IkappaBalpha 100.00 221 99.10 99.10 8.74e-157 BMRB 18759 CPAP_IkappaBalpha 100.00 221 98.19 98.19 2.94e-154 PDB 1IKN "IkappabalphaNF-Kappab Complex" 100.00 236 99.10 99.10 3.85e-157 PDB 1NFI "I-Kappa-B-AlphaNF-Kappa-B Complex" 96.38 213 99.06 99.06 1.86e-150 DBJ BAE89638 "unnamed protein product [Macaca fascicularis]" 100.00 317 99.10 99.10 8.68e-156 DBJ BAG36213 "unnamed protein product [Homo sapiens]" 100.00 317 99.10 99.10 7.06e-156 DBJ BAI46793 "nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, alpha [synthetic construct]" 100.00 317 99.10 99.10 7.06e-156 EMBL CAB65556 "IkBa [Homo sapiens]" 100.00 317 99.10 99.10 7.06e-156 GB AAA16489 "MAD3 [Homo sapiens]" 100.00 317 99.10 99.10 7.06e-156 GB AAH02601 "Nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, alpha [Homo sapiens]" 100.00 317 99.10 99.10 7.06e-156 GB AAH04983 "Nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, alpha [Homo sapiens]" 100.00 317 99.10 99.10 7.06e-156 GB AAK51149 "NFKBIA [Homo sapiens]" 100.00 317 99.10 99.10 7.06e-156 GB AAP35754 "nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, alpha [Homo sapiens]" 100.00 317 99.10 99.10 7.06e-156 REF NP_001244679 "NF-kappa-B inhibitor alpha [Macaca mulatta]" 100.00 317 99.10 99.10 8.68e-156 REF NP_001271861 "uncharacterized protein LOC101867458 [Macaca fascicularis]" 100.00 317 99.10 99.10 8.68e-156 REF NP_065390 "NF-kappa-B inhibitor alpha [Homo sapiens]" 100.00 317 99.10 99.10 7.06e-156 REF XP_002753867 "PREDICTED: NF-kappa-B inhibitor alpha [Callithrix jacchus]" 100.00 310 98.19 99.10 2.00e-155 REF XP_002824720 "PREDICTED: NF-kappa-B inhibitor alpha [Pongo abelii]" 100.00 317 98.64 98.64 1.11e-154 SP P25963 "RecName: Full=NF-kappa-B inhibitor alpha; AltName: Full=I-kappa-B-alpha; Short=IkB-alpha; Short=IkappaBalpha; AltName: Full=Maj" 100.00 317 99.10 99.10 7.06e-156 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $YLTA_IkappaBalpha 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 _Vector_name $YLTA_IkappaBalpha 'recombinant technology' . Escherichia coli BL21(DE3) pET11a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_YLTA_IkappaBalpha_3x-labelled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $YLTA_IkappaBalpha 0.1 mM '[U-13C; U-15N; U-2H]' 'sodium chloride' 50 mM 'natural abundance' 2H-Tris 25 mM '[U-99% 2H]' EDTA 1 mM 'natural abundance' CHAPS 5 mM 'natural abundance' 'sodium azide' 2 mM 'natural abundance' DTT 2 mM 'natural abundance' 'protease inhibitor cocktail' 1 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'One Moon Scientific, Inc.' ; 839 Grant Ave. Westfield, NJ 07090 ; http://www.onemoonscientific.com/index.html stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' ; 31 Center Drive, MSC 2560 Bethesda, MD 20892-2560 ; http://spin.niddk.nih.gov/NMRPipe/ stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $YLTA_IkappaBalpha_3x-labelled save_ save_3D_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $YLTA_IkappaBalpha_3x-labelled save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $YLTA_IkappaBalpha_3x-labelled save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'These sample conditions were used for all NMR samples.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 . pH pressure 1 . atm temperature 273 . 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_YLTA_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HN(CO)CA' '3D HNCACB' stop_ loop_ _Sample_label $YLTA_IkappaBalpha_3x-labelled stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'YLTA IkappaBalpha' _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 70 4 LEU CA C 53.158 0.27 . 2 71 5 THR H H 8.157 0.0059 . 3 71 5 THR CA C 60.129 0.27 . 4 71 5 THR N N 109.247 0.13 . 5 72 6 GLU H H 9.461 0.0059 . 6 72 6 GLU CA C 59.128 0.27 . 7 72 6 GLU N N 121.28 0.13 . 8 73 7 ASP H H 7.766 0.0059 . 9 73 7 ASP CA C 53.845 0.27 . 10 73 7 ASP N N 115.538 0.13 . 11 74 8 GLY H H 8.376 0.0059 . 12 74 8 GLY CA C 45.552 0.27 . 13 74 8 GLY N N 110.649 0.13 . 14 75 9 ASP H H 7.19 0.0059 . 15 75 9 ASP CA C 55.295 0.27 . 16 75 9 ASP N N 115.447 0.13 . 17 76 10 SER CA C 57.024 0.27 . 18 77 11 PHE H H 9.862 0.0059 . 19 77 11 PHE CA C 61.212 0.27 . 20 77 11 PHE N N 120.249 0.13 . 21 78 12 LEU H H 8.002 0.0059 . 22 78 12 LEU CA C 57.233 0.27 . 23 78 12 LEU N N 116.352 0.13 . 24 79 13 HIS H H 7.458 0.0059 . 25 79 13 HIS CA C 62.447 0.27 . 26 79 13 HIS N N 116.368 0.13 . 27 80 14 LEU H H 8.135 0.0059 . 28 80 14 LEU CA C 56.942 0.27 . 29 80 14 LEU N N 114.655 0.13 . 30 81 15 ALA H H 8.362 0.0059 . 31 81 15 ALA CA C 55.392 0.27 . 32 81 15 ALA N N 122.428 0.13 . 33 82 16 ILE H H 7.482 0.0059 . 34 82 16 ILE CA C 64.963 0.27 . 35 82 16 ILE N N 115.686 0.13 . 36 83 17 ILE H H 8.715 0.0059 . 37 83 17 ILE CA C 64.839 0.27 . 38 83 17 ILE N N 123.267 0.13 . 39 84 18 HIS CA C 57.138 0.27 . 40 85 19 GLU H H 8.28 0.0059 . 41 85 19 GLU CA C 57.137 0.27 . 42 85 19 GLU N N 116.841 0.13 . 43 86 20 GLU H H 8.201 0.0059 . 44 86 20 GLU CA C 53.761 0.27 . 45 86 20 GLU N N 119.356 0.13 . 46 87 21 LYS H H 8.023 0.0059 . 47 87 21 LYS CA C 61.03 0.27 . 48 87 21 LYS N N 126.471 0.13 . 49 88 22 ALA H H 8.517 0.0059 . 50 88 22 ALA CA C 55.315 0.27 . 51 88 22 ALA N N 121.025 0.13 . 52 89 23 LEU H H 8.438 0.0059 . 53 89 23 LEU CA C 57.113 0.27 . 54 89 23 LEU N N 119.73 0.13 . 55 90 24 THR H H 8.474 0.0059 . 56 90 24 THR CA C 68.382 0.27 . 57 90 24 THR N N 116.442 0.13 . 58 91 25 MET H H 8.285 0.0059 . 59 91 25 MET CA C 57.223 0.27 . 60 91 25 MET N N 118.334 0.13 . 61 92 26 GLU H H 7.852 0.0059 . 62 92 26 GLU CA C 58.032 0.27 . 63 92 26 GLU N N 120.724 0.13 . 64 93 27 VAL H H 8.616 0.0059 . 65 93 27 VAL CA C 66.695 0.27 . 66 93 27 VAL N N 119.944 0.13 . 67 94 28 ILE H H 8.356 0.0059 . 68 94 28 ILE CA C 65.988 0.27 . 69 94 28 ILE N N 117.137 0.13 . 70 95 29 ARG H H 7.776 0.0059 . 71 95 29 ARG CA C 59.396 0.27 . 72 95 29 ARG N N 117.086 0.13 . 73 96 30 GLN H H 8.103 0.0059 . 74 96 30 GLN CA C 57.521 0.27 . 75 96 30 GLN N N 115.939 0.13 . 76 97 31 VAL H H 8.003 0.0059 . 77 97 31 VAL CA C 60.959 0.27 . 78 97 31 VAL N N 112.022 0.13 . 79 98 32 LYS H H 7.323 0.0059 . 80 98 32 LYS CA C 58.017 0.27 . 81 98 32 LYS N N 120.127 0.13 . 82 99 33 GLY H H 8.88 0.0059 . 83 99 33 GLY CA C 45.109 0.27 . 84 99 33 GLY N N 110.408 0.13 . 85 100 34 ASP H H 8.413 0.0059 . 86 100 34 ASP CA C 52.494 0.27 . 87 100 34 ASP N N 121.345 0.13 . 88 101 35 LEU H H 8.342 0.0059 . 89 101 35 LEU CA C 57.28 0.27 . 90 101 35 LEU N N 124.793 0.13 . 91 102 36 ALA H H 8.373 0.0059 . 92 102 36 ALA CA C 54.406 0.27 . 93 102 36 ALA N N 120.253 0.13 . 94 103 37 PHE H H 7.695 0.0059 . 95 103 37 PHE CA C 54.342 0.27 . 96 103 37 PHE N N 116.408 0.13 . 97 104 38 LEU H H 8.202 0.0059 . 98 104 38 LEU CA C 57.318 0.27 . 99 104 38 LEU N N 117.275 0.13 . 100 105 39 ASN H H 7.886 0.0059 . 101 105 39 ASN CA C 51.588 0.27 . 102 105 39 ASN N N 111.239 0.13 . 103 106 40 PHE H H 7.113 0.0059 . 104 106 40 PHE CA C 60.393 0.27 . 105 106 40 PHE N N 122.535 0.13 . 106 107 41 GLN H H 7.422 0.0059 . 107 107 41 GLN CA C 53.729 0.27 . 108 107 41 GLN N N 124.83 0.13 . 109 108 42 ASN H H 7.499 0.0059 . 110 108 42 ASN CA C 51.236 0.27 . 111 108 42 ASN N N 119.49 0.13 . 112 109 43 ASN H H 8.121 0.0059 . 113 109 43 ASN CA C 55.211 0.27 . 114 109 43 ASN N N 115.94 0.13 . 115 110 44 LEU H H 7.495 0.0059 . 116 110 44 LEU CA C 54.6 0.27 . 117 110 44 LEU N N 121.772 0.13 . 118 111 45 GLN H H 8.571 0.0059 . 119 111 45 GLN CA C 57.203 0.27 . 120 111 45 GLN N N 113.282 0.13 . 121 112 46 GLN H H 8.368 0.0059 . 122 112 46 GLN CA C 55.052 0.27 . 123 112 46 GLN N N 115.746 0.13 . 124 113 47 THR H H 9.962 0.0059 . 125 113 47 THR CA C 59.81 0.27 . 126 113 47 THR N N 121.321 0.13 . 127 114 48 PRO CA C 65.754 0.27 . 128 115 49 LEU H H 8.632 0.0059 . 129 115 49 LEU CA C 57.487 0.27 . 130 115 49 LEU N N 117.933 0.13 . 131 116 50 HIS H H 8.087 0.0059 . 132 116 50 HIS CA C 63.496 0.27 . 133 116 50 HIS N N 116.201 0.13 . 134 117 51 LEU H H 7.752 0.0059 . 135 117 51 LEU CA C 56.83 0.27 . 136 117 51 LEU N N 115.666 0.13 . 137 118 52 ALA H H 8.976 0.0059 . 138 118 52 ALA CA C 54.737 0.27 . 139 118 52 ALA N N 125.179 0.13 . 140 119 53 VAL H H 7.447 0.0059 . 141 119 53 VAL CA C 65.608 0.27 . 142 119 53 VAL N N 116.254 0.13 . 143 120 54 ILE H H 7.463 0.0059 . 144 120 54 ILE CA C 65.166 0.27 . 145 120 54 ILE N N 116.11 0.13 . 146 121 55 THR H H 7.621 0.0059 . 147 121 55 THR CA C 61.13 0.27 . 148 121 55 THR N N 104.589 0.13 . 149 122 56 ASN H H 7.906 0.0059 . 150 122 56 ASN CA C 53.66 0.27 . 151 122 56 ASN N N 117.552 0.13 . 152 123 57 GLN H H 8.356 0.0059 . 153 123 57 GLN CA C 53.516 0.27 . 154 123 57 GLN N N 114.373 0.13 . 155 124 58 PRO CA C 64.58 0.27 . 156 125 59 GLU H H 9.584 0.0059 . 157 125 59 GLU CA C 50.827 0.27 . 158 125 59 GLU N N 119.113 0.13 . 159 126 60 ILE H H 7.413 0.0059 . 160 126 60 ILE CA C 62.247 0.27 . 161 126 60 ILE N N 121.44 0.13 . 162 127 61 ALA H H 7.564 0.0059 . 163 127 61 ALA CA C 55.086 0.27 . 164 127 61 ALA N N 122.189 0.13 . 165 128 62 GLU H H 8.431 0.0059 . 166 128 62 GLU CA C 59.616 0.27 . 167 128 62 GLU N N 116.939 0.13 . 168 129 63 ALA H H 7.437 0.0059 . 169 129 63 ALA CA C 54.281 0.27 . 170 129 63 ALA N N 122.271 0.13 . 171 130 64 LEU H H 8.498 0.0059 . 172 130 64 LEU CA C 57.47 0.27 . 173 130 64 LEU N N 119.975 0.13 . 174 131 65 LEU H H 8.34 0.0059 . 175 131 65 LEU CA C 57.385 0.27 . 176 131 65 LEU N N 120.689 0.13 . 177 132 66 GLY H H 8.616 0.0059 . 178 132 66 GLY CA C 46.367 0.27 . 179 132 66 GLY N N 109.192 0.13 . 180 133 67 ALA H H 7.598 0.0059 . 181 133 67 ALA CA C 51.707 0.27 . 182 133 67 ALA N N 121.075 0.13 . 183 134 68 GLY H H 7.649 0.0059 . 184 134 68 GLY CA C 44.519 0.27 . 185 134 68 GLY N N 102.296 0.13 . 186 135 69 CYS H H 7.786 0.0059 . 187 135 69 CYS CA C 59.396 0.27 . 188 135 69 CYS N N 117.344 0.13 . 189 136 70 ASP H H 8.951 0.0059 . 190 136 70 ASP CA C 50.682 0.27 . 191 136 70 ASP N N 122.07 0.13 . 192 137 71 PRO CA C 62.879 0.27 . 193 138 72 GLU H H 8.863 0.0059 . 194 138 72 GLU CA C 56.264 0.27 . 195 138 72 GLU N N 118.002 0.13 . 196 139 73 LEU H H 6.427 0.0059 . 197 139 73 LEU CA C 55.403 0.27 . 198 139 73 LEU N N 118.441 0.13 . 199 140 74 ARG H H 8.5 0.0059 . 200 140 74 ARG CA C 53.206 0.27 . 201 140 74 ARG N N 117.433 0.13 . 202 141 75 ASP H H 7.702 0.0059 . 203 141 75 ASP CA C 52.376 0.27 . 204 141 75 ASP N N 118.74 0.13 . 205 142 76 PHE H H 7.858 0.0059 . 206 142 76 PHE CA C 58.776 0.27 . 207 142 76 PHE N N 115.951 0.13 . 208 143 77 ARG H H 7.796 0.0059 . 209 143 77 ARG CA C 55.162 0.27 . 210 143 77 ARG N N 120.592 0.13 . 211 144 78 GLY H H 8.274 0.0059 . 212 144 78 GLY CA C 48.689 0.27 . 213 144 78 GLY N N 112.707 0.13 . 214 145 79 ASN H H 8.594 0.0059 . 215 145 79 ASN CA C 53.366 0.27 . 216 145 79 ASN N N 119.525 0.13 . 217 146 80 THR H H 8.769 0.0059 . 218 146 80 THR CA C 61.476 0.27 . 219 146 80 THR N N 118.826 0.13 . 220 148 82 LEU CA C 57.243 0.27 . 221 149 83 HIS H H 8.112 0.0059 . 222 149 83 HIS CA C 62.478 0.27 . 223 149 83 HIS N N 121.138 0.13 . 224 150 84 LEU H H 7.453 0.0059 . 225 150 84 LEU CA C 57.098 0.27 . 226 150 84 LEU N N 114.71 0.13 . 227 151 85 ALA H H 8.136 0.0059 . 228 151 85 ALA CA C 54.75 0.27 . 229 151 85 ALA N N 121.106 0.13 . 230 152 86 CYS H H 7.93 0.0059 . 231 152 86 CYS CA C 63.87 0.27 . 232 152 86 CYS N N 114.767 0.13 . 233 153 87 GLU H H 8.133 0.0059 . 234 153 87 GLU CA C 58.159 0.27 . 235 153 87 GLU N N 117.582 0.13 . 236 154 88 GLN H H 8.03 0.0059 . 237 154 88 GLN CA C 55.756 0.27 . 238 154 88 GLN N N 114.884 0.13 . 239 155 89 GLY H H 7.286 0.0059 . 240 155 89 GLY CA C 44.661 0.27 . 241 155 89 GLY N N 108.417 0.13 . 242 156 90 CYS H H 7.46 0.0059 . 243 156 90 CYS CA C 58.102 0.27 . 244 156 90 CYS N N 120.262 0.13 . 245 157 91 LEU H H 8.402 0.0059 . 246 157 91 LEU CA C 57.892 0.27 . 247 157 91 LEU N N 131.003 0.13 . 248 158 92 ALA H H 8.97 0.0059 . 249 158 92 ALA CA C 54.982 0.27 . 250 158 92 ALA N N 122.299 0.13 . 251 160 94 VAL H H 8.164 0.0059 . 252 160 94 VAL CA C 66.772 0.27 . 253 160 94 VAL N N 121.732 0.13 . 254 161 95 GLY H H 8.548 0.0059 . 255 161 95 GLY CA C 47.128 0.27 . 256 161 95 GLY N N 107.569 0.13 . 257 162 96 VAL H H 7.769 0.0059 . 258 162 96 VAL CA C 65.515 0.27 . 259 162 96 VAL N N 119.863 0.13 . 260 163 97 LEU H H 8.216 0.0059 . 261 163 97 LEU CA C 56.899 0.27 . 262 163 97 LEU N N 117.163 0.13 . 263 164 98 THR H H 7.652 0.0059 . 264 164 98 THR CA C 62.749 0.27 . 265 164 98 THR N N 104.339 0.13 . 266 165 99 GLN H H 8.04 0.0059 . 267 165 99 GLN CA C 56.829 0.27 . 268 165 99 GLN N N 119.738 0.13 . 269 166 100 SER CA C 58.54 0.27 . 270 167 101 CYS H H 7.243 0.0059 . 271 167 101 CYS CA C 56.837 0.27 . 272 167 101 CYS N N 116.835 0.13 . 273 168 102 THR H H 8.969 0.0059 . 274 168 102 THR CA C 61.907 0.27 . 275 168 102 THR N N 122.313 0.13 . 276 169 103 THR H H 9.011 0.0059 . 277 169 103 THR CA C 67.614 0.27 . 278 169 103 THR N N 117.934 0.13 . 279 170 104 PRO CA C 65.49 0.27 . 280 171 105 HIS H H 7.281 0.0059 . 281 171 105 HIS CA C 57.967 0.27 . 282 171 105 HIS N N 115.482 0.13 . 283 172 106 LEU H H 8.578 0.0059 . 284 172 106 LEU CA C 57.62 0.27 . 285 172 106 LEU N N 121.688 0.13 . 286 173 107 HIS H H 8.293 0.0059 . 287 173 107 HIS CA C 58.727 0.27 . 288 173 107 HIS N N 115.522 0.13 . 289 174 108 SER H H 7.674 0.0059 . 290 174 108 SER CA C 60.926 0.27 . 291 174 108 SER N N 112.644 0.13 . 292 175 109 ILE H H 8.851 0.0059 . 293 175 109 ILE CA C 65.077 0.27 . 294 175 109 ILE N N 122.09 0.13 . 295 176 110 LEU H H 8.34 0.0059 . 296 176 110 LEU CA C 56.656 0.27 . 297 176 110 LEU N N 117.868 0.13 . 298 177 111 LYS H H 7.417 0.0059 . 299 177 111 LYS CA C 55.736 0.27 . 300 177 111 LYS N N 116.122 0.13 . 301 178 112 ALA H H 7.428 0.0059 . 302 178 112 ALA CA C 52.658 0.27 . 303 178 112 ALA N N 123.025 0.13 . 304 179 113 THR H H 9.098 0.0059 . 305 179 113 THR CA C 58.364 0.27 . 306 179 113 THR N N 113.171 0.13 . 307 180 114 ASN H H 8.127 0.0059 . 308 180 114 ASN CA C 50.55 0.27 . 309 180 114 ASN N N 121.105 0.13 . 310 181 115 TYR H H 8.002 0.0059 . 311 181 115 TYR CA C 57.311 0.27 . 312 181 115 TYR N N 116.056 0.13 . 313 182 116 ASN H H 7.681 0.0059 . 314 182 116 ASN CA C 52.385 0.27 . 315 182 116 ASN N N 117.202 0.13 . 316 183 117 GLY H H 7.941 0.0059 . 317 183 117 GLY CA C 45.02 0.27 . 318 183 117 GLY N N 106.005 0.13 . 319 184 118 HIS H H 7.582 0.0059 . 320 184 118 HIS CA C 54.584 0.27 . 321 184 118 HIS N N 116.506 0.13 . 322 185 119 THR H H 10.247 0.0059 . 323 185 119 THR CA C 59.567 0.27 . 324 185 119 THR N N 117.518 0.13 . 325 186 120 CYS H H 9.638 0.0059 . 326 186 120 CYS CA C 64.367 0.27 . 327 186 120 CYS N N 119.877 0.13 . 328 187 121 LEU H H 8.378 0.0059 . 329 187 121 LEU CA C 57.654 0.27 . 330 187 121 LEU N N 121.212 0.13 . 331 188 122 HIS H H 7.947 0.0059 . 332 188 122 HIS CA C 60.482 0.27 . 333 188 122 HIS N N 121.577 0.13 . 334 189 123 LEU H H 8.022 0.0059 . 335 189 123 LEU CA C 57.141 0.27 . 336 189 123 LEU N N 116.261 0.13 . 337 190 124 ALA H H 8.248 0.0059 . 338 190 124 ALA CA C 54.34 0.27 . 339 190 124 ALA N N 118.36 0.13 . 340 191 125 SER H H 7.879 0.0059 . 341 191 125 SER N N 113.011 0.13 . 342 192 126 ILE CA C 63.969 0.27 . 343 193 127 HIS H H 7.95 0.0059 . 344 193 127 HIS CA C 56.338 0.27 . 345 193 127 HIS N N 119.029 0.13 . 346 194 128 GLY H H 7.562 0.0059 . 347 194 128 GLY CA C 40.064 0.27 . 348 194 128 GLY N N 107.812 0.13 . 349 195 129 TYR H H 8.171 0.0059 . 350 195 129 TYR CA C 54.749 0.27 . 351 195 129 TYR N N 120.126 0.13 . 352 196 130 LEU H H 8.174 0.0059 . 353 196 130 LEU CA C 54.711 0.27 . 354 196 130 LEU N N 124.278 0.13 . 355 197 131 GLY H H 8.778 0.0059 . 356 197 131 GLY CA C 46.506 0.27 . 357 197 131 GLY N N 106.591 0.13 . 358 198 132 ILE H H 7.371 0.0059 . 359 198 132 ILE CA C 65.009 0.27 . 360 198 132 ILE N N 121.421 0.13 . 361 199 133 VAL H H 8.092 0.0059 . 362 199 133 VAL CA C 66.138 0.27 . 363 199 133 VAL N N 119.986 0.13 . 364 200 134 GLU H H 7.922 0.0059 . 365 200 134 GLU CA C 59.571 0.27 . 366 200 134 GLU N N 116.006 0.13 . 367 201 135 LEU H H 7.628 0.0059 . 368 201 135 LEU CA C 57.388 0.27 . 369 201 135 LEU N N 120.1855 0.13 . 370 202 136 LEU H H 8.92 0.0059 . 371 202 136 LEU CA C 57.217 0.27 . 372 202 136 LEU N N 117.915 0.13 . 373 203 137 VAL H H 8.209 0.0059 . 374 203 137 VAL CA C 66.316 0.27 . 375 203 137 VAL N N 118.369 0.13 . 376 204 138 SER H H 8.206 0.0059 . 377 204 138 SER CA C 61.459 0.27 . 378 204 138 SER N N 118.889 0.13 . 379 205 139 LEU H H 7.643 0.0059 . 380 205 139 LEU CA C 54.72 0.27 . 381 205 139 LEU N N 119.913 0.13 . 382 206 140 GLY H H 7.754 0.0059 . 383 206 140 GLY CA C 44.282 0.27 . 384 206 140 GLY N N 103.608 0.13 . 385 207 141 ALA H H 8.294 0.0059 . 386 207 141 ALA CA C 52.272 0.27 . 387 207 141 ALA N N 123.943 0.13 . 388 208 142 ASP H H 8.453 0.0059 . 389 208 142 ASP CA C 53.104 0.27 . 390 208 142 ASP N N 119.73 0.13 . 391 209 143 VAL H H 9.047 0.0059 . 392 209 143 VAL CA C 62.867 0.27 . 393 209 143 VAL N N 129.893 0.13 . 394 210 144 ASN H H 8.756 0.0059 . 395 210 144 ASN CA C 52.707 0.27 . 396 210 144 ASN N N 118.913 0.13 . 397 211 145 ALA H H 7.037 0.0059 . 398 211 145 ALA CA C 53.322 0.27 . 399 211 145 ALA N N 121.291 0.13 . 400 212 146 GLN H H 9.202 0.0059 . 401 212 146 GLN CA C 54.201 0.27 . 402 212 146 GLN N N 122.51 0.13 . 403 213 147 GLU H H 8.954 0.0059 . 404 213 147 GLU CA C 52.603 0.27 . 405 213 147 GLU N N 125.311 0.13 . 406 215 149 CYS CA C 61.733 0.27 . 407 216 150 ASN H H 9.175 0.0059 . 408 216 150 ASN CA C 52.698 0.27 . 409 216 150 ASN N N 113.956 0.13 . 410 217 151 GLY CA C 46.035 0.27 . 411 218 152 ARG H H 8.91 0.0059 . 412 218 152 ARG CA C 57.217 0.27 . 413 218 152 ARG N N 117.895 0.13 . 414 219 153 THR H H 10.454 0.0059 . 415 219 153 THR CA C 59.575 0.27 . 416 219 153 THR N N 116.627 0.13 . 417 220 154 ALA H H 10.402 0.0059 . 418 220 154 ALA CA C 55.225 0.27 . 419 220 154 ALA N N 122.912 0.13 . 420 221 155 LEU H H 8.598 0.0059 . 421 221 155 LEU CA C 57.249 0.27 . 422 221 155 LEU N N 117.726 0.13 . 423 222 156 HIS H H 7.663 0.0059 . 424 222 156 HIS CA C 62.95 0.27 . 425 222 156 HIS N N 116.514 0.13 . 426 223 157 LEU CA C 57.605 0.27 . 427 224 158 ALA H H 8.8 0.0059 . 428 224 158 ALA CA C 55.006 0.27 . 429 224 158 ALA N N 120.596 0.13 . 430 226 160 ASP H H 8.631 0.0059 . 431 226 160 ASP CA C 57.497 0.27 . 432 226 160 ASP N N 117.867 0.13 . 433 227 161 LEU H H 8.532 0.0059 . 434 227 161 LEU CA C 54.972 0.27 . 435 227 161 LEU N N 117.041 0.13 . 436 228 162 GLN H H 8.016 0.0059 . 437 228 162 GLN CA C 54.966 0.27 . 438 228 162 GLN N N 115.637 0.13 . 439 229 163 ASN H H 7.657 0.0059 . 440 229 163 ASN CA C 48.927 0.27 . 441 229 163 ASN N N 115.674 0.13 . 442 230 164 PRO CA C 56.831 0.27 . 443 231 165 ASP H H 7.861 0.0059 . 444 231 165 ASP CA C 56.218 0.27 . 445 231 165 ASP N N 118.625 0.13 . 446 232 166 LEU H H 7.469 0.0059 . 447 232 166 LEU CA C 67.399 0.27 . 448 232 166 LEU N N 122.437 0.13 . 449 233 167 VAL H H 7.911 0.0059 . 450 233 167 VAL CA C 61.497 0.27 . 451 233 167 VAL N N 118.401 0.13 . 452 234 168 SER H H 7.984 0.0059 . 453 234 168 SER CA C 57.199 0.27 . 454 234 168 SER N N 111.076 0.13 . 455 235 169 LEU H H 7.713 0.0059 . 456 235 169 LEU CA C 57.786 0.27 . 457 235 169 LEU N N 121.619 0.13 . 458 236 170 LEU H H 8.696 0.0059 . 459 236 170 LEU CA C 57.95 0.27 . 460 236 170 LEU N N 118.958 0.13 . 461 237 171 LEU H H 8.255 0.0059 . 462 237 171 LEU CA C 58.996 0.27 . 463 237 171 LEU N N 117.819 0.13 . 464 238 172 LYS H H 8.1 0.0059 . 465 238 172 LYS CA C 60.405 0.27 . 466 238 172 LYS N N 123.262 0.13 . 467 239 173 CYS H H 7.983 0.0059 . 468 239 173 CYS CA C 45.135 0.27 . 469 239 173 CYS N N 114.742 0.13 . 470 240 174 GLY H H 7.704 0.0059 . 471 240 174 GLY CA C 52.595 0.27 . 472 240 174 GLY N N 105.22 0.13 . 473 241 175 ALA H H 8.221 0.0059 . 474 241 175 ALA CA C 52.641 0.27 . 475 241 175 ALA N N 122.144 0.13 . 476 242 176 ASP H H 8.913 0.0059 . 477 242 176 ASP CA C 62.547 0.27 . 478 242 176 ASP N N 120.647 0.13 . 479 243 177 VAL H H 8.46 0.0059 . 480 243 177 VAL CA C 54.845 0.27 . 481 243 177 VAL N N 122.885 0.13 . 482 244 178 ASN H H 8.614 0.0059 . 483 244 178 ASN CA C 58.727 0.27 . 484 244 178 ASN N N 115.661 0.13 . 485 245 179 ARG H H 6.734 0.0059 . 486 245 179 ARG CA C 60.187 0.27 . 487 245 179 ARG N N 119.685 0.13 . 488 246 180 VAL H H 8.32 0.0059 . 489 246 180 VAL CA C 56.743 0.27 . 490 246 180 VAL N N 115.518 0.13 . 491 247 181 THR H H 7.989 0.0059 . 492 247 181 THR CA C 58.718 0.27 . 493 247 181 THR N N 109.363 0.13 . 494 248 182 TYR H H 8.462 0.0059 . 495 248 182 TYR CA C 44.635 0.27 . 496 248 182 TYR N N 119.057 0.13 . 497 250 184 GLY H H 7.832 0.0059 . 498 250 184 GLY N N 106.253 0.13 . 499 251 185 TYR H H 7.135 0.0059 . 500 251 185 TYR N N 116.37 0.13 . 501 252 186 SER H H 9.713 0.0059 . 502 252 186 SER N N 123.061 0.13 . 503 261 195 PRO CA C 65.288 0.27 . 504 262 196 SER H H 8.067 0.0059 . 505 262 196 SER CA C 59.071 0.27 . 506 262 196 SER N N 112.751 0.13 . 507 263 197 THR CA C 64.717 0.27 . 508 264 198 ARG H H 8.402 0.0059 . 509 264 198 ARG CA C 58.696 0.27 . 510 264 198 ARG N N 108.955 0.13 . 511 265 199 ILE H H 7.713 0.0059 . 512 265 199 ILE CA C 64.235 0.27 . 513 265 199 ILE N N 118.577 0.13 . 514 266 200 GLN H H 6.863 0.0059 . 515 266 200 GLN CA C 58.823 0.27 . 516 266 200 GLN N N 116.422 0.13 . 517 267 201 GLN H H 8.032 0.0059 . 518 267 201 GLN CA C 58.887 0.27 . 519 267 201 GLN N N 118.854 0.13 . 520 268 202 GLN H H 8.085 0.0059 . 521 268 202 GLN CA C 57.996 0.27 . 522 268 202 GLN N N 119.216 0.13 . 523 269 203 LEU H H 7.625 0.0059 . 524 269 203 LEU CA C 55.742 0.27 . 525 269 203 LEU N N 114.689 0.13 . 526 270 204 GLY H H 8.323 0.0059 . 527 270 204 GLY CA C 45.997 0.27 . 528 270 204 GLY N N 108.635 0.13 . 529 271 205 GLN H H 7.921 0.0059 . 530 271 205 GLN CA C 56.594 0.27 . 531 271 205 GLN N N 118.359 0.13 . 532 272 206 LEU H H 7.598 0.0059 . 533 272 206 LEU CA C 55.079 0.27 . 534 272 206 LEU N N 119.183 0.13 . 535 273 207 THR H H 7.847 0.0059 . 536 273 207 THR CA C 62.217 0.27 . 537 273 207 THR N N 114.09 0.13 . 538 274 208 LEU H H 8.319 0.0059 . 539 274 208 LEU CA C 55.479 0.27 . 540 274 208 LEU N N 124.014 0.13 . 541 275 209 GLU H H 8.423 0.0059 . 542 275 209 GLU CA C 57.143 0.27 . 543 275 209 GLU N N 120.177 0.13 . 544 276 210 ASN H H 8.366 0.0059 . 545 276 210 ASN CA C 53.238 0.27 . 546 276 210 ASN N N 118.096 0.13 . 547 277 211 LEU H H 8.145 0.0059 . 548 277 211 LEU CA C 54.935 0.27 . 549 277 211 LEU N N 121.782 0.13 . 550 278 212 GLN H H 8.247 0.0059 . 551 278 212 GLN CA C 55.494 0.27 . 552 278 212 GLN N N 119.789 0.13 . 553 279 213 MET H H 8.258 0.0059 . 554 279 213 MET CA C 54.734 0.27 . 555 279 213 MET N N 120.82 0.13 . 556 280 214 LEU H H 8.374 0.0059 . 557 280 214 LEU CA C 52.603 0.27 . 558 280 214 LEU N N 124.725 0.13 . 559 281 215 PRO CA C 62.628 0.27 . 560 282 216 GLU H H 8.614 0.0059 . 561 282 216 GLU CA C 56.258 0.27 . 562 282 216 GLU N N 121.176 0.13 . 563 283 217 SER H H 8.428 0.0059 . 564 283 217 SER CA C 57.753 0.27 . 565 283 217 SER N N 116.635 0.13 . 566 284 218 GLU H H 8.646 0.0059 . 567 284 218 GLU CA C 56.001 0.27 . 568 284 218 GLU N N 123.003 0.13 . 569 285 219 ASP H H 8.424 0.0059 . 570 285 219 ASP CA C 54.128 0.27 . 571 285 219 ASP N N 121.298 0.13 . 572 286 220 GLU H H 8.41 0.0059 . 573 286 220 GLU CA C 56.034 0.27 . 574 286 220 GLU N N 121.469 0.13 . 575 287 221 GLU H H 8.146 0.0059 . 576 287 221 GLU CA C 57.738 0.27 . 577 287 221 GLU N N 127.32 0.13 . stop_ save_