data_16229 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for ring1B C-terminal domain/ cbx7 CBOX complex ; _BMRB_accession_number 16229 _BMRB_flat_file_name bmr16229.str _Entry_type original _Submission_date 2009-03-27 _Accession_date 2009-03-27 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Renjing . . 2 Kim 'Chongwoo A.' . . 3 Ilangovan Udayar . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 181 "13C chemical shifts" 157 "15N chemical shifts" 39 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-12-09 original author . stop_ _Original_release_date 2010-12-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Polycomb group targeting through different binding partners of RING1B C-terminal domain.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20696397 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Renjing . . 2 Taylor Alexander B. . 3 Leal Belinda Z. . 4 Chadwell Linda V. . 5 Ilangovan Udayar . . 6 Robinson Angela K. . 7 Schirf Virgil . . 8 Hart 'P. John' . . 9 Lafer Eileen M. . 10 Demeler Borries . . 11 Hinck Andrew P. . 12 McEwen Donald G. . 13 Kim Chongwoo A. . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 18 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 966 _Page_last 975 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name '1H, 13C, and 15N Chemical Shift Assignments for ring1B C terminal domain/ cbx7 CBOX complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ring1b C-terminal domain' $C-RING1B 'cbx7 CBOX' $CBX7_Cbox 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_C-RING1B _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common C-RING1B _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 123 _Mol_residue_sequence ; MEKTRGASEIELVFRPHPTL MEKDDSAQTRYIKTSGNATV DHLSKYLAVRLALEELRSKG ESNQMNLDTASEKQYTIYIA TASGQFTVLNGSFSLELVSE KYWKVNKPMELYYAPTKEHK SRD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 LYS 4 THR 5 ARG 6 GLY 7 ALA 8 SER 9 GLU 10 ILE 11 GLU 12 LEU 13 VAL 14 PHE 15 ARG 16 PRO 17 HIS 18 PRO 19 THR 20 LEU 21 MET 22 GLU 23 LYS 24 ASP 25 ASP 26 SER 27 ALA 28 GLN 29 THR 30 ARG 31 TYR 32 ILE 33 LYS 34 THR 35 SER 36 GLY 37 ASN 38 ALA 39 THR 40 VAL 41 ASP 42 HIS 43 LEU 44 SER 45 LYS 46 TYR 47 LEU 48 ALA 49 VAL 50 ARG 51 LEU 52 ALA 53 LEU 54 GLU 55 GLU 56 LEU 57 ARG 58 SER 59 LYS 60 GLY 61 GLU 62 SER 63 ASN 64 GLN 65 MET 66 ASN 67 LEU 68 ASP 69 THR 70 ALA 71 SER 72 GLU 73 LYS 74 GLN 75 TYR 76 THR 77 ILE 78 TYR 79 ILE 80 ALA 81 THR 82 ALA 83 SER 84 GLY 85 GLN 86 PHE 87 THR 88 VAL 89 LEU 90 ASN 91 GLY 92 SER 93 PHE 94 SER 95 LEU 96 GLU 97 LEU 98 VAL 99 SER 100 GLU 101 LYS 102 TYR 103 TRP 104 LYS 105 VAL 106 ASN 107 LYS 108 PRO 109 MET 110 GLU 111 LEU 112 TYR 113 TYR 114 ALA 115 PRO 116 THR 117 LYS 118 GLU 119 HIS 120 LYS 121 SER 122 ARG 123 ASP 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 PDB 3GS2 "Ring1b C-Terminal DomainCBX7 CBOX COMPLEX" 90.24 111 99.10 100.00 2.88e-74 PDB 3H8H "Structure Of The C-Terminal Domain Of Human Rnf2RING1B" 88.62 112 100.00 100.00 2.55e-73 PDB 3IXS "Ring1b C-Terminal DomainRYBP C-Terminal Domain Complex" 90.24 111 99.10 100.00 2.88e-74 DBJ BAB28186 "unnamed protein product [Mus musculus]" 93.50 336 100.00 100.00 1.70e-76 DBJ BAB28663 "unnamed protein product [Mus musculus]" 93.50 336 100.00 100.00 1.70e-76 DBJ BAC26898 "unnamed protein product [Mus musculus]" 93.50 336 100.00 100.00 1.70e-76 DBJ BAC41075 "unnamed protein product [Mus musculus]" 93.50 336 97.39 100.00 1.39e-74 DBJ BAE26638 "unnamed protein product [Mus musculus]" 93.50 336 100.00 100.00 1.70e-76 EMBL CAA71596 "dinG [Homo sapiens]" 93.50 336 100.00 100.00 1.64e-76 EMBL CAA73321 "RING1B protein [Mus musculus]" 93.50 202 100.00 100.00 2.08e-78 EMBL CAA73380 "polycomb-M33 interacting protein Ring1B [Mus musculus]" 89.43 339 100.00 100.00 1.70e-72 EMBL CAH91565 "hypothetical protein [Pongo abelii]" 93.50 336 100.00 100.00 1.72e-76 EMBL CAJ18505 "Rnf2 [Mus musculus]" 93.50 336 100.00 100.00 1.70e-76 GB AAD29717 "ring finger protein BAP-1 [Homo sapiens]" 93.50 336 100.00 100.00 1.64e-76 GB AAH12583 "Ring finger protein 2 [Homo sapiens]" 93.50 336 100.00 100.00 1.64e-76 GB AAH20122 "Ring finger protein 2 [Mus musculus]" 93.50 336 100.00 100.00 1.70e-76 GB AAH98941 "Ring finger protein 2 [Rattus norvegicus]" 67.48 308 100.00 100.00 2.93e-50 GB AAI48045 "RNF2 protein [Bos taurus]" 93.50 336 100.00 100.00 1.61e-76 REF NP_001020838 "E3 ubiquitin-protein ligase RING2 [Rattus norvegicus]" 67.48 308 100.00 100.00 2.93e-50 REF NP_001094673 "E3 ubiquitin-protein ligase RING2 [Bos taurus]" 93.50 336 100.00 100.00 1.61e-76 REF NP_001127433 "E3 ubiquitin-protein ligase RING2 [Pongo abelii]" 93.50 336 100.00 100.00 1.72e-76 REF NP_009143 "E3 ubiquitin-protein ligase RING2 [Homo sapiens]" 93.50 336 100.00 100.00 1.64e-76 REF NP_035407 "E3 ubiquitin-protein ligase RING2 [Mus musculus]" 93.50 336 100.00 100.00 1.70e-76 SP Q4KLY4 "RecName: Full=E3 ubiquitin-protein ligase RING2; AltName: Full=RING finger protein 1B; Short=RING1b; AltName: Full=RING finger " 67.48 308 100.00 100.00 2.93e-50 SP Q5R9J5 "RecName: Full=E3 ubiquitin-protein ligase RING2; AltName: Full=RING finger protein 1B; Short=RING1b; AltName: Full=RING finger " 93.50 336 100.00 100.00 1.72e-76 SP Q99496 "RecName: Full=E3 ubiquitin-protein ligase RING2; AltName: Full=Huntingtin-interacting protein 2-interacting protein 3; Short=HI" 93.50 336 100.00 100.00 1.64e-76 SP Q9CQJ4 "RecName: Full=E3 ubiquitin-protein ligase RING2; AltName: Full=RING finger protein 1B; Short=RING1b; AltName: Full=RING finger " 93.50 336 100.00 100.00 1.70e-76 TPG DAA20975 "TPA: E3 ubiquitin-protein ligase RING2 [Bos taurus]" 93.50 336 100.00 100.00 1.61e-76 stop_ save_ save_CBX7_Cbox _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CBX7_Cbox _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 56 _Mol_residue_sequence ; MEKTRESWTPALPSSEVTVT DITANSITVTFREAQAAEGF FRDRSGKFSRHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 204 MET 2 205 GLU 3 206 LYS 4 207 THR 5 208 ARG 6 209 GLU 7 210 SER 8 211 TRP 9 212 THR 10 213 PRO 11 214 ALA 12 215 LEU 13 216 PRO 14 217 SER 15 218 SER 16 219 GLU 17 220 VAL 18 221 THR 19 222 VAL 20 223 THR 21 224 ASP 22 225 ILE 23 226 THR 24 227 ALA 25 228 ASN 26 229 SER 27 230 ILE 28 231 THR 29 232 VAL 30 233 THR 31 234 PHE 32 235 ARG 33 236 GLU 34 237 ALA 35 238 GLN 36 239 ALA 37 240 ALA 38 241 GLU 39 242 GLY 40 243 PHE 41 244 PHE 42 245 ARG 43 246 ASP 44 247 ARG 45 248 SER 46 249 GLY 47 250 LYS 48 251 PHE 49 252 SER 50 253 ARG 51 254 HIS 52 255 HIS 53 256 HIS 54 257 HIS 55 258 HIS 56 259 HIS 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 PDB 3GS2 "Ring1b C-Terminal DomainCBX7 CBOX COMPLEX" 53.57 30 100.00 100.00 9.15e-11 DBJ BAI46775 "chromobox homolog 7 [synthetic construct]" 73.21 251 100.00 100.00 2.36e-17 GB AAH51773 "Chromobox homolog 7 [Homo sapiens]" 73.21 251 97.56 97.56 1.06e-16 GB AAY68391 "chromobox-like 7 [Homo sapiens]" 62.50 158 100.00 100.00 4.13e-14 GB ABZ92314 "chromobox homolog 7 [synthetic construct]" 73.21 251 97.56 97.56 1.06e-16 GB AIC56058 "CBX7, partial [synthetic construct]" 73.21 251 97.56 97.56 1.06e-16 GB EAW60298 "chromobox homolog 7, isoform CRA_b [Homo sapiens]" 73.21 251 100.00 100.00 2.36e-17 REF NP_001179547 "chromobox protein homolog 7 [Bos taurus]" 75.00 251 97.62 97.62 4.68e-19 REF NP_001247702 "chromobox protein homolog 7 [Macaca mulatta]" 73.21 251 100.00 100.00 2.36e-17 REF NP_783640 "chromobox protein homolog 7 [Homo sapiens]" 73.21 251 100.00 100.00 2.36e-17 REF XP_002743799 "PREDICTED: chromobox protein homolog 7 [Callithrix jacchus]" 60.71 259 100.00 100.00 8.39e-12 REF XP_002914600 "PREDICTED: LOW QUALITY PROTEIN: chromobox protein homolog 7-like [Ailuropoda melanoleuca]" 60.71 252 97.06 100.00 1.17e-11 SP O95931 "RecName: Full=Chromobox protein homolog 7 [Homo sapiens]" 73.21 251 100.00 100.00 2.36e-17 TPG DAA29144 "TPA: chromobox homolog 7 [Bos taurus]" 75.00 251 97.62 97.62 4.68e-19 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $C-RING1B 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 $CBX7_Cbox 'recombinant technology' . Escherichia coli . 'pET3c and pET30a' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $C-RING1B 1.0 mM '[U-99% 15N]' $CBX7_Cbox 1.0 mM '[U-99% 15N]' H20 95 % 'Natural Abundance' D20 5 % 'Natural Abundance' stop_ save_ save_15N_13C _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $C-RING1B 1.0 mM '[U-99% 13C; U-99% 15N]' $CBX7_Cbox 1.0 mM '[U-99% 13C; U-99% 15N]' H20 95 % 'Natural Abundance' D20 5 % 'Natural Abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $15N_13C save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $15N_13C save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $15N_13C save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $15N_13C save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $15N_13C save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $15N_13C save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $15N_13C save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . pH temperature 310 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCACB' '3D HCCH-TOCSY' '3D HNCO' stop_ loop_ _Sample_label $15N $15N_13C stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'cbx7 CBOX' _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 1 211 8 TRP H H 8.065 . 1 2 211 8 TRP HA H 4.676 . 1 3 211 8 TRP HB2 H 3.239 . . 4 211 8 TRP HB3 H 3.239 . 2 5 211 8 TRP C C 175.556 . 1 6 211 8 TRP CA C 57.602 . 1 7 211 8 TRP CB C 29.826 . 1 8 211 8 TRP N N 123.155 . 1 9 212 9 THR H H 7.689 . 1 10 212 9 THR HA H 3.968 . 1 11 212 9 THR HB H 4.413 . 1 12 212 9 THR CA C 59.249 . 1 13 212 9 THR CB C 70.125 . 1 14 212 9 THR N N 119.099 . 1 15 213 10 PRO HA H 4.168 . 1 16 213 10 PRO HD2 H 3.445 . . 17 213 10 PRO HD3 H 3.541 . 2 18 213 10 PRO C C 176.198 . 1 19 213 10 PRO CA C 63.038 . 1 20 213 10 PRO CB C 31.999 . 1 21 213 10 PRO CD C 50.823 . 1 22 213 10 PRO CG C 27.186 . 1 23 214 11 ALA H H 8.091 . 1 24 214 11 ALA HA H 4.262 . 1 25 214 11 ALA HB H 1.309 . 1 26 214 11 ALA C C 177.285 . 1 27 214 11 ALA CA C 53.118 . 1 28 214 11 ALA CB C 19.221 . 1 29 214 11 ALA N N 123.845 . 1 30 215 12 LEU H H 8.042 . 1 31 215 12 LEU HA H 4.574 . 1 32 215 12 LEU HB2 H 1.519 . . 33 215 12 LEU HB3 H 1.519 . 2 34 215 12 LEU HD1 H 0.911 . 2 35 215 12 LEU HD2 H 0.857 . 2 36 215 12 LEU HG H 1.596 . 1 37 215 12 LEU C C 175.298 . 1 38 215 12 LEU CA C 52.863 . 1 39 215 12 LEU CB C 42.022 . 1 40 215 12 LEU CD1 C 24.519 . 2 41 215 12 LEU CD2 C 23.771 . 2 42 215 12 LEU CG C 28.343 . 1 43 215 12 LEU N N 122.679 . 1 44 216 13 PRO HA H 4.430 . 1 45 216 13 PRO HD2 H 3.593 . . 46 216 13 PRO HD3 H 3.814 . 2 47 216 13 PRO C C 177.038 . 1 48 216 13 PRO CA C 63.183 . 1 49 216 13 PRO CB C 32.041 . 1 50 216 13 PRO CD C 50.599 . 1 51 216 13 PRO CG C 27.649 . 1 52 217 14 SER H H 8.290 . 1 53 217 14 SER HA H 4.378 . 1 54 217 14 SER HB2 H 3.890 . . 55 217 14 SER HB3 H 3.890 . 2 56 217 14 SER C C 174.858 . 1 57 217 14 SER CA C 58.647 . 1 58 217 14 SER CB C 63.930 . 1 59 217 14 SER N N 115.813 . 1 60 218 15 SER H H 8.183 . 1 61 218 15 SER HA H 4.445 . 1 62 218 15 SER HB2 H 3.850 . . 63 218 15 SER HB3 H 3.862 . 2 64 218 15 SER C C 174.346 . 1 65 218 15 SER CA C 58.421 . 1 66 218 15 SER CB C 63.887 . 1 67 218 15 SER N N 117.085 . 1 68 219 16 GLU H H 8.208 . 1 69 219 16 GLU HA H 4.294 . 1 70 219 16 GLU HB2 H 1.907 . . 71 219 16 GLU HB3 H 2.040 . 2 72 219 16 GLU C C 175.915 . 1 73 219 16 GLU CA C 56.809 . 1 74 219 16 GLU CB C 30.310 . 1 75 219 16 GLU CG C 36.354 . 1 76 219 16 GLU N N 122.599 . 1 77 220 17 VAL H H 8.101 . 1 78 220 17 VAL HA H 4.351 . 1 79 220 17 VAL HB H 1.965 . 1 80 220 17 VAL HG1 H 1.378 . 2 81 220 17 VAL HG2 H 1.378 . 2 82 220 17 VAL C C 176.319 . 1 83 220 17 VAL CA C 59.895 . 1 84 220 17 VAL CB C 34.131 . 1 85 220 17 VAL CG1 C 22.174 . 2 86 220 17 VAL CG2 C 22.174 . 2 87 220 17 VAL N N 123.484 . 1 88 221 18 THR H H 8.962 . 1 89 221 18 THR HA H 4.503 . 1 90 221 18 THR HB H 3.968 . 1 91 221 18 THR HG2 H 0.934 . 1 92 221 18 THR C C 174.313 . 1 93 221 18 THR CA C 62.117 . 1 94 221 18 THR CB C 70.371 . 1 95 221 18 THR CG2 C 21.437 . 1 96 221 18 THR N N 123.479 . 1 97 222 19 VAL H H 8.878 . 1 98 222 19 VAL HA H 4.996 . 1 99 222 19 VAL HB H 2.001 . 1 100 222 19 VAL HG1 H 0.949 . 2 101 222 19 VAL HG2 H 0.911 . 2 102 222 19 VAL C C 175.732 . 1 103 222 19 VAL CA C 61.996 . 1 104 222 19 VAL CB C 33.772 . 1 105 222 19 VAL CG1 C 21.929 . 2 106 222 19 VAL CG2 C 21.929 . 2 107 222 19 VAL N N 129.304 . 1 108 223 20 THR H H 9.012 . 1 109 223 20 THR HA H 4.633 . 1 110 223 20 THR HB H 4.107 . 1 111 223 20 THR HG2 H 1.297 . 1 112 223 20 THR C C 172.854 . 1 113 223 20 THR CA C 62.484 . 1 114 223 20 THR CB C 72.344 . 1 115 223 20 THR CG2 C 21.191 . 1 116 223 20 THR N N 123.512 . 1 117 224 21 ASP H H 8.979 . 1 118 224 21 ASP HA H 5.661 . 1 119 224 21 ASP HB2 H 2.293 . . 120 224 21 ASP HB3 H 2.584 . 2 121 224 21 ASP C C 175.691 . 1 122 224 21 ASP CA C 53.733 . 1 123 224 21 ASP CB C 41.281 . 1 124 224 21 ASP N N 129.506 . 1 125 225 22 ILE H H 9.224 . 1 126 225 22 ILE HA H 4.672 . 1 127 225 22 ILE HB H 2.294 . 1 128 225 22 ILE HD1 H 0.924 . 1 129 225 22 ILE HG12 H 1.450 . . 130 225 22 ILE HG13 H 1.450 . 2 131 225 22 ILE HG2 H 1.140 . 1 132 225 22 ILE C C 175.136 . 1 133 225 22 ILE CA C 57.412 . 1 134 225 22 ILE CB C 40.045 . 1 135 225 22 ILE CD1 C 9.881 . 1 136 225 22 ILE CG1 C 27.193 . 1 137 225 22 ILE CG2 C 17.577 . 1 138 225 22 ILE N N 122.739 . 1 139 226 23 THR H H 9.086 . 1 140 226 23 THR HA H 5.287 . 1 141 226 23 THR HB H 3.845 . 1 142 226 23 THR HG2 H 0.993 . 1 143 226 23 THR C C 172.924 . 1 144 226 23 THR CA C 61.746 . 1 145 226 23 THR CB C 69.707 . 1 146 226 23 THR CG2 C 21.069 . 1 147 226 23 THR N N 126.018 . 1 148 227 24 ALA H H 8.230 . 1 149 227 24 ALA HA H 4.373 . 1 150 227 24 ALA HB H 0.408 . 1 151 227 24 ALA C C 176.316 . 1 152 227 24 ALA CA C 52.129 . 1 153 227 24 ALA CB C 18.973 . 1 154 227 24 ALA N N 126.634 . 1 155 228 25 ASN H H 9.328 . 1 156 228 25 ASN C C 174.485 . 1 157 228 25 ASN CA C 53.456 . 1 158 228 25 ASN CB C 37.616 . 1 159 228 25 ASN N N 120.891 . 1 160 229 26 SER H H 8.609 . 1 161 229 26 SER HA H 3.819 . 1 162 229 26 SER HB2 H 4.079 . . 163 229 26 SER HB3 H 4.193 . 2 164 229 26 SER C C 173.283 . 1 165 229 26 SER CA C 60.336 . 1 166 229 26 SER CB C 62.478 . 1 167 229 26 SER N N 104.869 . 1 168 230 27 ILE H H 8.078 . 1 169 230 27 ILE HA H 4.553 . 1 170 230 27 ILE HB H 2.009 . 1 171 230 27 ILE HD1 H 0.961 . 1 172 230 27 ILE HG12 H 1.245 . . 173 230 27 ILE HG13 H 1.722 . 2 174 230 27 ILE HG2 H 0.861 . 1 175 230 27 ILE C C 176.829 . 1 176 230 27 ILE CA C 60.143 . 1 177 230 27 ILE CB C 41.405 . 1 178 230 27 ILE CD1 C 13.216 . 1 179 230 27 ILE CG1 C 27.184 . 1 180 230 27 ILE CG2 C 17.531 . 1 181 230 27 ILE N N 121.277 . 1 182 231 28 THR H H 9.372 . 1 183 231 28 THR HA H 5.287 . 1 184 231 28 THR HB H 3.885 . 1 185 231 28 THR HG2 H 1.074 . 1 186 231 28 THR C C 173.647 . 1 187 231 28 THR CA C 62.851 . 1 188 231 28 THR CB C 69.710 . 1 189 231 28 THR CG2 C 21.807 . 1 190 231 28 THR N N 130.949 . 1 191 232 29 VAL H H 8.874 . 1 192 232 29 VAL HA H 4.540 . 1 193 232 29 VAL HB H 1.730 . 1 194 232 29 VAL HG1 H 0.338 . 2 195 232 29 VAL HG2 H 0.326 . 2 196 232 29 VAL C C 173.515 . 1 197 232 29 VAL CA C 59.157 . 1 198 232 29 VAL CB C 34.997 . 1 199 232 29 VAL CG1 C 20.083 . 2 200 232 29 VAL CG2 C 21.438 . 2 201 232 29 VAL N N 121.867 . 1 202 233 30 THR H H 8.524 . 1 203 233 30 THR HA H 5.048 . 1 204 233 30 THR HB H 3.596 . 1 205 233 30 THR HG2 H 1.122 . 1 206 233 30 THR C C 175.169 . 1 207 233 30 THR CA C 62.489 . 1 208 233 30 THR CB C 70.612 . 1 209 233 30 THR CG2 C 23.410 . 1 210 233 30 THR N N 118.893 . 1 211 234 31 PHE H H 9.752 . 1 212 234 31 PHE HA H 4.674 . 1 213 234 31 PHE HB2 H 2.045 . . 214 234 31 PHE HB3 H 2.829 . 2 215 234 31 PHE C C 174.543 . 1 216 234 31 PHE CA C 57.436 . 1 217 234 31 PHE CB C 42.879 . 1 218 234 31 PHE N N 128.838 . 1 219 235 32 ARG H H 8.862 . 1 220 235 32 ARG HA H 5.533 . 1 221 235 32 ARG HB2 H 1.742 . . 222 235 32 ARG HB3 H 1.814 . 2 223 235 32 ARG HD2 H 3.205 . . 224 235 32 ARG HD3 H 3.205 . 2 225 235 32 ARG HG2 H 1.730 . . 226 235 32 ARG HG3 H 1.865 . 2 227 235 32 ARG C C 174.522 . 1 228 235 32 ARG CA C 54.598 . 1 229 235 32 ARG CB C 33.272 . 1 230 235 32 ARG CD C 43.500 . 1 231 235 32 ARG CG C 29.568 . 1 232 235 32 ARG N N 120.762 . 1 233 236 33 GLU H H 8.967 . 1 234 236 33 GLU HA H 5.643 . 1 235 236 33 GLU HB2 H 2.112 . . 236 236 33 GLU HB3 H 2.112 . 2 237 236 33 GLU HG2 H 2.507 . . 238 236 33 GLU HG3 H 2.507 . 2 239 236 33 GLU C C 172.908 . 1 240 236 33 GLU CA C 54.586 . 1 241 236 33 GLU CB C 33.273 . 1 242 236 33 GLU CG C 36.967 . 1 243 236 33 GLU N N 124.383 . 1 244 237 34 ALA H H 8.237 . 1 245 237 34 ALA HA H 4.737 . 1 246 237 34 ALA HB H 0.408 . 1 247 237 34 ALA C C 177.016 . 1 248 237 34 ALA CA C 49.661 . 1 249 237 34 ALA CB C 22.054 . 1 250 237 34 ALA N N 128.287 . 1 251 238 35 GLN H H 8.672 . 1 252 238 35 GLN HA H 4.362 . 1 253 238 35 GLN HB2 H 1.954 . . 254 238 35 GLN HB3 H 2.256 . 2 255 238 35 GLN HG2 H 2.410 . . 256 238 35 GLN HG3 H 2.410 . 2 257 238 35 GLN C C 174.484 . 1 258 238 35 GLN CA C 56.688 . 1 259 238 35 GLN CB C 29.452 . 1 260 238 35 GLN CG C 34.508 . 1 261 238 35 GLN N N 116.860 . 1 262 239 36 ALA H H 7.097 . 1 263 239 36 ALA HA H 3.871 . 1 264 239 36 ALA HB H 1.183 . 1 265 239 36 ALA C C 174.986 . 1 266 239 36 ALA CA C 50.594 . 1 267 239 36 ALA CB C 21.686 . 1 268 239 36 ALA N N 118.906 . 1 269 240 37 ALA H H 7.342 . 1 270 240 37 ALA HA H 3.029 . 1 271 240 37 ALA HB H 0.909 . 1 272 240 37 ALA C C 179.754 . 1 273 240 37 ALA CA C 53.855 . 1 274 240 37 ALA CB C 19.836 . 1 275 240 37 ALA N N 120.530 . 1 276 241 38 GLU H H 8.215 . 1 277 241 38 GLU HA H 3.966 . 1 278 241 38 GLU HB2 H 1.754 . . 279 241 38 GLU HB3 H 1.935 . 2 280 241 38 GLU HG2 H 2.222 . . 281 241 38 GLU HG3 H 2.222 . 2 282 241 38 GLU C C 177.517 . 1 283 241 38 GLU CA C 58.983 . 1 284 241 38 GLU CB C 28.465 . 1 285 241 38 GLU CG C 36.366 . 1 286 241 38 GLU N N 119.556 . 1 287 242 39 GLY H H 8.998 . 1 288 242 39 GLY HA2 H 3.661 . . 289 242 39 GLY HA3 H 4.127 . 2 290 242 39 GLY C C 172.790 . 1 291 242 39 GLY CA C 45.602 . 1 292 242 39 GLY N N 114.596 . 1 293 243 40 PHE H H 7.993 . 1 294 243 40 PHE HA H 4.797 . 1 295 243 40 PHE HB2 H 2.669 . . 296 243 40 PHE HB3 H 2.743 . 2 297 243 40 PHE C C 175.888 . 1 298 243 40 PHE CA C 58.288 . 1 299 243 40 PHE CB C 41.579 . 1 300 243 40 PHE N N 121.504 . 1 301 244 41 PHE H H 8.552 . 1 302 244 41 PHE HA H 4.797 . 1 303 244 41 PHE HB2 H 3.019 . . 304 244 41 PHE HB3 H 3.471 . 2 305 244 41 PHE C C 177.205 . 1 306 244 41 PHE CA C 53.486 . 1 307 244 41 PHE CB C 37.599 . 1 308 244 41 PHE N N 119.662 . 1 309 245 42 ARG H H 10.224 . 1 310 245 42 ARG HA H 4.196 . 1 311 245 42 ARG HB2 H 1.826 . . 312 245 42 ARG HB3 H 1.826 . 2 313 245 42 ARG HD2 H 3.165 . . 314 245 42 ARG HD3 H 3.165 . 2 315 245 42 ARG HG2 H 1.864 . . 316 245 42 ARG HG3 H 1.913 . 2 317 245 42 ARG C C 176.576 . 1 318 245 42 ARG CA C 56.062 . 1 319 245 42 ARG CB C 31.046 . 1 320 245 42 ARG CD C 43.597 . 1 321 245 42 ARG CG C 27.106 . 1 322 245 42 ARG N N 123.677 . 1 323 246 43 ASP H H 8.592 . 1 324 246 43 ASP HA H 4.595 . 1 325 246 43 ASP HB2 H 2.689 . . 326 246 43 ASP HB3 H 2.689 . 2 327 246 43 ASP C C 177.244 . 1 328 246 43 ASP CA C 54.711 . 1 329 246 43 ASP CB C 41.161 . 1 330 246 43 ASP N N 121.871 . 1 331 247 44 ARG H H 8.782 . 1 332 247 44 ARG HA H 4.449 . 1 333 247 44 ARG HB2 H 1.975 . . 334 247 44 ARG HB3 H 1.975 . 2 335 247 44 ARG C C 176.754 . 1 336 247 44 ARG CA C 55.966 . 1 337 247 44 ARG CB C 30.073 . 1 338 247 44 ARG CD C 43.584 . 1 339 247 44 ARG CG C 28.133 . 1 340 247 44 ARG N N 125.535 . 1 341 248 45 SER H H 8.443 . 1 342 248 45 SER HA H 4.504 . 1 343 248 45 SER HB2 H 3.777 . . 344 248 45 SER HB3 H 3.777 . 2 345 248 45 SER C C 175.290 . 1 346 248 45 SER CA C 59.896 . 1 347 248 45 SER CB C 64.449 . 1 348 248 45 SER N N 116.548 . 1 349 249 46 GLY H H 8.305 . 1 350 249 46 GLY HA2 H 3.899 . . 351 249 46 GLY HA3 H 3.899 . 2 352 249 46 GLY C C 174.436 . 1 353 249 46 GLY CA C 45.613 . 1 354 249 46 GLY N N 110.668 . 1 355 250 47 LYS H H 8.047 . 1 356 250 47 LYS HA H 4.197 . 1 357 250 47 LYS HB2 H 1.578 . . 358 250 47 LYS HB3 H 2.072 . 2 359 250 47 LYS HD2 H 1.651 . . 360 250 47 LYS HD3 H 1.651 . 2 361 250 47 LYS HG2 H 1.145 . . 362 250 47 LYS HG3 H 1.178 . 2 363 250 47 LYS C C 176.558 . 1 364 250 47 LYS CA C 56.910 . 1 365 250 47 LYS CB C 32.738 . 1 366 250 47 LYS CD C 29.076 . 1 367 250 47 LYS CE C 42.152 . 1 368 250 47 LYS CG C 24.772 . 1 369 250 47 LYS N N 120.913 . 1 370 251 48 PHE H H 8.210 . 1 371 251 48 PHE HA H 4.620 . 1 372 251 48 PHE HB2 H 2.946 . . 373 251 48 PHE HB3 H 3.157 . 2 374 251 48 PHE C C 175.800 . 1 375 251 48 PHE CA C 57.620 . 1 376 251 48 PHE CB C 39.196 . 1 377 251 48 PHE N N 120.107 . 1 stop_ save_