data_17138 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the coiled-coil complex between MBD2 and p66alpha ; _BMRB_accession_number 17138 _BMRB_flat_file_name bmr17138.str _Entry_type original _Submission_date 2010-08-20 _Accession_date 2010-08-20 _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 Williams David C. Jr. 2 Scarsdale Joe Neel Jr. stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 492 "13C chemical shifts" 357 "15N chemical shifts" 74 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-02 original author . stop_ _Original_release_date 2012-08-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure and functional analyses of a coiled-coil interaction between MBD2 and p66alpha integral to the formation of the MeCP1 nucleosome remodeling complex' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gnanapragasam Merlin N. . 2 Scarsdale Joe N. Jr. 3 Amaya Maria L. . 4 Webb Heather D. . 5 Walavalkar Ninad M. . 6 Ginder Gordon D. . 7 David Williams C. Jr. stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MBD2/p66-alpha complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label p66-alpha $p66-alpha MBD2 $MBD2 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_p66-alpha _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common p66-alpha _Molecular_mass 5116.060 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 43 _Mol_residue_sequence ; GSPEERERMIKQLKEELRLE EAKLVLLKKLRQSQIQKEAT AQK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 136 GLY 2 137 SER 3 138 PRO 4 139 GLU 5 140 GLU 6 141 ARG 7 142 GLU 8 143 ARG 9 144 MET 10 145 ILE 11 146 LYS 12 147 GLN 13 148 LEU 14 149 LYS 15 150 GLU 16 151 GLU 17 152 LEU 18 153 ARG 19 154 LEU 20 155 GLU 21 156 GLU 22 157 ALA 23 158 LYS 24 159 LEU 25 160 VAL 26 161 LEU 27 162 LEU 28 163 LYS 29 164 LYS 30 165 LEU 31 166 ARG 32 167 GLN 33 168 SER 34 169 GLN 35 170 ILE 36 171 GLN 37 172 LYS 38 173 GLU 39 174 ALA 40 175 THR 41 176 ALA 42 177 GLN 43 178 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2L2L "Solution Structure Of The Coiled-Coil Complex Between Mbd2 And P66alpha" 100.00 43 100.00 100.00 1.28e-17 DBJ BAC40736 "unnamed protein product [Mus musculus]" 81.40 491 100.00 100.00 1.15e-10 DBJ BAE89133 "unnamed protein product [Macaca fascicularis]" 97.67 166 100.00 100.00 6.09e-17 DBJ BAG59359 "unnamed protein product [Homo sapiens]" 81.40 436 100.00 100.00 9.37e-11 DBJ BAG73190 "GATA zinc finger domain containing 2A [synthetic construct]" 97.67 634 100.00 100.00 2.14e-15 EMBL CAH65456 "hypothetical protein RCJMB04_39e8 [Gallus gallus]" 97.67 569 97.62 97.62 1.26e-14 GB AAH11684 "GATA zinc finger domain containing 2A [Homo sapiens]" 81.40 490 100.00 100.00 9.19e-11 GB AAH38221 "Gatad2a protein [Mus musculus]" 97.67 629 100.00 100.00 2.19e-15 GB AAH89902 "Gatad2a protein [Rattus norvegicus]" 81.40 491 100.00 100.00 1.10e-10 GB AAO31797 "p66 alpha [Homo sapiens]" 97.67 633 100.00 100.00 2.08e-15 GB ABZ92025 "GATA zinc finger domain containing 2A [synthetic construct]" 81.40 490 100.00 100.00 9.19e-11 REF NP_001012570 "GATA zinc finger domain containing 2A [Gallus gallus]" 97.67 569 97.62 97.62 1.14e-14 REF NP_001013903 "transcriptional repressor p66-alpha [Rattus norvegicus]" 97.67 630 100.00 100.00 2.13e-15 REF NP_001106817 "transcriptional repressor p66 alpha isoform b [Mus musculus]" 97.67 629 100.00 100.00 2.19e-15 REF NP_001273379 "transcriptional repressor p66 alpha isoform d [Mus musculus]" 97.67 631 100.00 100.00 2.80e-15 REF NP_001287875 "transcriptional repressor p66-alpha isoform 1 [Homo sapiens]" 97.67 634 100.00 100.00 2.14e-15 SP Q86YP4 "RecName: Full=Transcriptional repressor p66-alpha; Short=Hp66alpha; AltName: Full=GATA zinc finger domain-containing protein 2A" 97.67 633 100.00 100.00 2.08e-15 SP Q8CHY6 "RecName: Full=Transcriptional repressor p66 alpha; AltName: Full=GATA zinc finger domain-containing protein 2A" 97.67 629 100.00 100.00 2.19e-15 stop_ save_ save_MBD2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MBD2 _Molecular_mass 4181.826 _Mol_thiol_state 'not present' _Details . _Residue_count 36 _Mol_residue_sequence ; GSKAFIVTDEDIRKQEERVQ QVRKKLEEALMADILS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 209 GLY 2 210 SER 3 211 LYS 4 212 ALA 5 213 PHE 6 214 ILE 7 215 VAL 8 216 THR 9 217 ASP 10 218 GLU 11 219 ASP 12 220 ILE 13 221 ARG 14 222 LYS 15 223 GLN 16 224 GLU 17 225 GLU 18 226 ARG 19 227 VAL 20 228 GLN 21 229 GLN 22 230 VAL 23 231 ARG 24 232 LYS 25 233 LYS 26 234 LEU 27 235 GLU 28 236 GLU 29 237 ALA 30 238 LEU 31 239 MET 32 240 ALA 33 241 ASP 34 242 ILE 35 243 LEU 36 244 SER 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 2L2L "Solution Structure Of The Coiled-Coil Complex Between Mbd2 And P66alpha" 100.00 36 100.00 100.00 8.74e-15 EMBL CAH10725 "hypothetical protein [Homo sapiens]" 97.22 76 97.14 97.14 4.88e-13 GB AAC18050 "antigen NY-CO-41, partial [Homo sapiens]" 94.44 200 100.00 100.00 7.37e-13 GB AAC68871 "methyl-CpG binding protein MBD2 [Homo sapiens]" 94.44 411 100.00 100.00 1.30e-10 GB AAC68872 "methyl-CpG binding protein MBD2 [Mus musculus]" 94.44 414 100.00 100.00 9.27e-11 GB AAD50372 "methyl-CpG binding protein 2 [Mus musculus]" 94.44 414 100.00 100.00 9.27e-11 GB AAD56597 "methyl-CpG binding protein 2 [Homo sapiens]" 94.44 411 100.00 100.00 1.30e-10 REF NP_001108497 "methyl-CpG-binding domain protein 2 [Rattus norvegicus]" 94.44 412 97.06 100.00 2.84e-10 REF NP_003918 "methyl-CpG-binding domain protein 2 isoform 1 [Homo sapiens]" 94.44 411 100.00 100.00 1.30e-10 REF NP_034903 "methyl-CpG-binding domain protein 2 [Mus musculus]" 94.44 414 100.00 100.00 9.27e-11 REF XP_001082249 "PREDICTED: methyl-CpG-binding domain protein 2 [Macaca mulatta]" 94.44 412 100.00 100.00 1.54e-10 REF XP_001362190 "PREDICTED: methyl-CpG-binding domain protein 2 [Monodelphis domestica]" 94.44 416 100.00 100.00 1.56e-10 SP Q9UBB5 "RecName: Full=Methyl-CpG-binding domain protein 2; AltName: Full=Demethylase; Short=DMTase; AltName: Full=Methyl-CpG-binding pr" 94.44 411 100.00 100.00 1.30e-10 SP Q9Z2E1 "RecName: Full=Methyl-CpG-binding domain protein 2; AltName: Full=Methyl-CpG-binding protein MBD2 [Mus musculus]" 94.44 414 100.00 100.00 9.27e-11 TPG DAA15869 "TPA: methyl-CpG binding domain protein 2-like [Bos taurus]" 94.44 199 100.00 100.00 8.18e-13 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $p66-alpha Human 9606 Eukaryota Metazoa Homo sapiens $MBD2 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 $p66-alpha 'recombinant technology' . Escherichia coli BL21(DE3) pET32a $MBD2 'recombinant technology' . Escherichia coli BL21(DE3) pET32a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N13Cp66a:MBD2 _Saveframe_category sample _Sample_type solution _Details '1:1 molar mixture of 15N13C-p66a and unlabeled MBD2' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p66-alpha 1.0 mM '[U-99% 13C; U-99% 15N]' $MBD2 1.0 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_15N13CMBD2:p66a _Saveframe_category sample _Sample_type solution _Details '1:1 molar ratio of 13C15N-MBD2 and unlabeled p66a' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p66-alpha 1.0 mM '[U-100% 13C; U-100% 15N]' $MBD2 1.0 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_2H15N13Cp66a:2H15N13CMBD2 _Saveframe_category sample _Sample_type solution _Details 'triple labeled sample for RDC measurements' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p66-alpha 1.0 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' $MBD2 1.0 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $15N13Cp66a:MBD2 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $15N13Cp66a:MBD2 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $15N13Cp66a:MBD2 save_ save_3D_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $15N13Cp66a:MBD2 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $15N13Cp66a:MBD2 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $15N13Cp66a:MBD2 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N13Cp66a:MBD2 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $15N13Cp66a:MBD2 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $15N13Cp66a:MBD2 save_ save_2D_1H-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N13Cp66a:MBD2 save_ save_3D_HNCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $15N13CMBD2:p66a save_ save_3D_HNCA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $15N13CMBD2:p66a save_ save_3D_HNCACB_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $15N13CMBD2:p66a save_ save_3D_HBHA(CO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $15N13CMBD2:p66a save_ save_3D_HN(CO)CA_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $15N13CMBD2:p66a save_ save_3D_HCCH-TOCSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $15N13CMBD2:p66a save_ save_3D_1H-15N_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N13CMBD2:p66a save_ save_3D_1H-13C_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $15N13CMBD2:p66a save_ save_3D_CBCA(CO)NH_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $15N13CMBD2:p66a save_ save_3D_C(CO)NH_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $15N13CMBD2:p66a save_ save_2D_1H-15N_HSQC_21 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N13CMBD2:p66a save_ save_3D_HNCO_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $2H15N13Cp66a:2H15N13CMBD2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.02 . M pH 6.5 . 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_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HBHA(CO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $15N13Cp66a:MBD2 $15N13CMBD2:p66a stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name p66-alpha _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 1 138 3 PRO HA H 4.3587 0.03 1 2 138 3 PRO HB2 H 2.4493 0.03 2 3 138 3 PRO HB3 H 2.0047 0.03 2 4 138 3 PRO HD2 H 3.9710 0.03 1 5 138 3 PRO HD3 H 3.9710 0.03 1 6 138 3 PRO HG2 H 2.2355 0.03 2 7 138 3 PRO HG3 H 2.0720 0.03 2 8 138 3 PRO C C 179.0003 0.2 1 9 138 3 PRO CA C 65.5581 0.2 1 10 138 3 PRO CB C 31.7785 0.2 1 11 138 3 PRO CD C 50.8834 0.2 1 12 138 3 PRO CG C 27.9928 0.2 1 13 139 4 GLU H H 8.6850 0.03 1 14 139 4 GLU HA H 4.1370 0.03 1 15 139 4 GLU HB2 H 2.0000 0.03 1 16 139 4 GLU HB3 H 2.0000 0.03 1 17 139 4 GLU HG2 H 2.4110 0.03 2 18 139 4 GLU HG3 H 2.3150 0.03 2 19 139 4 GLU C C 179.0907 0.2 1 20 139 4 GLU CA C 59.8555 0.2 1 21 139 4 GLU CB C 29.0252 0.2 1 22 139 4 GLU CG C 36.8839 0.2 1 23 139 4 GLU N N 118.4730 0.2 1 24 140 5 GLU H H 7.9650 0.03 1 25 140 5 GLU HA H 4.0510 0.03 1 26 140 5 GLU HB2 H 2.1250 0.03 1 27 140 5 GLU HB3 H 2.1250 0.03 1 28 140 5 GLU HG2 H 2.3300 0.03 1 29 140 5 GLU HG3 H 2.3300 0.03 1 30 140 5 GLU C C 179.0016 0.2 1 31 140 5 GLU CA C 59.0834 0.2 1 32 140 5 GLU CB C 29.4334 0.2 1 33 140 5 GLU CG C 36.5240 0.2 1 34 140 5 GLU N N 120.9290 0.2 1 35 141 6 ARG H H 8.0650 0.03 1 36 141 6 ARG HA H 4.1310 0.03 1 37 141 6 ARG HB2 H 1.9560 0.03 1 38 141 6 ARG HB3 H 1.9560 0.03 1 39 141 6 ARG HD2 H 3.2480 0.03 1 40 141 6 ARG HD3 H 3.2480 0.03 1 41 141 6 ARG HG2 H 1.8060 0.03 2 42 141 6 ARG HG3 H 1.6100 0.03 2 43 141 6 ARG C C 178.1925 0.2 1 44 141 6 ARG CA C 59.5256 0.2 1 45 141 6 ARG CB C 29.9670 0.2 1 46 141 6 ARG CD C 43.4668 0.2 1 47 141 6 ARG CG C 27.5732 0.2 1 48 141 6 ARG N N 121.1059 0.2 1 49 142 7 GLU H H 8.1390 0.03 1 50 142 7 GLU HA H 4.0060 0.03 1 51 142 7 GLU HB2 H 2.1310 0.03 1 52 142 7 GLU HB3 H 2.1310 0.03 1 53 142 7 GLU HG2 H 2.3950 0.03 2 54 142 7 GLU HG3 H 2.2800 0.03 2 55 142 7 GLU C C 179.1708 0.2 1 56 142 7 GLU CA C 59.5105 0.2 1 57 142 7 GLU CB C 29.3761 0.2 1 58 142 7 GLU CG C 35.9949 0.2 1 59 142 7 GLU N N 118.5815 0.2 1 60 143 8 ARG H H 7.9350 0.03 1 61 143 8 ARG HA H 4.0285 0.03 1 62 143 8 ARG HB2 H 1.9690 0.03 1 63 143 8 ARG HB3 H 1.9690 0.03 1 64 143 8 ARG HD2 H 3.2430 0.03 1 65 143 8 ARG HD3 H 3.2430 0.03 1 66 143 8 ARG HG2 H 1.8133 0.03 2 67 143 8 ARG HG3 H 1.6273 0.03 2 68 143 8 ARG C C 178.7717 0.2 1 69 143 8 ARG CA C 59.6978 0.2 1 70 143 8 ARG CB C 30.1615 0.2 1 71 143 8 ARG CD C 43.5146 0.2 1 72 143 8 ARG CG C 27.5382 0.2 1 73 143 8 ARG N N 119.4317 0.2 1 74 144 9 MET H H 8.0420 0.03 1 75 144 9 MET HA H 4.2795 0.03 1 76 144 9 MET HB2 H 2.2843 0.03 1 77 144 9 MET HB3 H 2.2843 0.03 1 78 144 9 MET HE H 2.1260 0.03 1 79 144 9 MET HG2 H 2.6915 0.03 2 80 144 9 MET HG3 H 2.5810 0.03 2 81 144 9 MET C C 178.4698 0.2 1 82 144 9 MET CA C 58.4833 0.2 1 83 144 9 MET CB C 32.0044 0.2 1 84 144 9 MET CE C 16.9758 0.2 1 85 144 9 MET CG C 31.6853 0.2 1 86 144 9 MET N N 120.1733 0.2 1 87 145 10 ILE H H 8.3380 0.03 1 88 145 10 ILE HA H 3.5325 0.03 1 89 145 10 ILE HB H 1.9420 0.03 1 90 145 10 ILE HD1 H 0.8315 0.03 1 91 145 10 ILE HG12 H 1.7795 0.03 2 92 145 10 ILE HG13 H 0.9575 0.03 2 93 145 10 ILE HG2 H 0.9085 0.03 1 94 145 10 ILE C C 177.5418 0.2 1 95 145 10 ILE CA C 65.7533 0.2 1 96 145 10 ILE CB C 37.8730 0.2 1 97 145 10 ILE CD1 C 13.4576 0.2 1 98 145 10 ILE CG1 C 30.4872 0.2 1 99 145 10 ILE CG2 C 17.6562 0.2 1 100 145 10 ILE N N 120.3126 0.2 1 101 146 11 LYS H H 8.0850 0.03 1 102 146 11 LYS HA H 3.9260 0.03 1 103 146 11 LYS HB2 H 1.9700 0.03 1 104 146 11 LYS HB3 H 1.9700 0.03 1 105 146 11 LYS HD2 H 1.7180 0.03 1 106 146 11 LYS HD3 H 1.7180 0.03 1 107 146 11 LYS HE2 H 3.0192 0.03 1 108 146 11 LYS HE3 H 3.0192 0.03 1 109 146 11 LYS HG2 H 1.6515 0.03 2 110 146 11 LYS HG3 H 1.4475 0.03 2 111 146 11 LYS C C 179.6023 0.2 1 112 146 11 LYS CA C 60.4589 0.2 1 113 146 11 LYS CB C 32.5412 0.2 1 114 146 11 LYS CD C 29.3790 0.2 1 115 146 11 LYS CE C 42.1609 0.2 1 116 146 11 LYS CG C 25.5820 0.2 1 117 146 11 LYS N N 119.2550 0.2 1 118 147 12 GLN H H 8.0930 0.03 1 119 147 12 GLN HA H 4.1330 0.03 1 120 147 12 GLN HB2 H 2.2370 0.03 1 121 147 12 GLN HB3 H 2.2370 0.03 1 122 147 12 GLN HG2 H 2.5470 0.03 2 123 147 12 GLN HG3 H 2.4280 0.03 2 124 147 12 GLN C C 179.0960 0.2 1 125 147 12 GLN CA C 59.0485 0.2 1 126 147 12 GLN CB C 28.3708 0.2 1 127 147 12 GLN CG C 33.9222 0.2 1 128 147 12 GLN N N 119.0665 0.2 1 129 148 13 LEU H H 8.4610 0.03 1 130 148 13 LEU HA H 4.2180 0.03 1 131 148 13 LEU HB2 H 2.0830 0.03 2 132 148 13 LEU HB3 H 1.2660 0.03 2 133 148 13 LEU HD1 H 0.9580 0.03 2 134 148 13 LEU HD2 H 0.7985 0.03 2 135 148 13 LEU HG H 1.8980 0.03 1 136 148 13 LEU C C 179.0234 0.2 1 137 148 13 LEU CA C 57.9372 0.2 1 138 148 13 LEU CB C 43.8261 0.2 1 139 148 13 LEU CD1 C 23.3755 0.2 2 140 148 13 LEU CD2 C 26.4453 0.2 2 141 148 13 LEU CG C 27.4223 0.2 1 142 148 13 LEU N N 121.7569 0.2 1 143 149 14 LYS H H 8.6970 0.03 1 144 149 14 LYS HA H 3.9290 0.03 1 145 149 14 LYS HB2 H 1.8540 0.03 2 146 149 14 LYS HB3 H 1.9940 0.03 2 147 149 14 LYS HD2 H 1.6860 0.03 1 148 149 14 LYS HD3 H 1.6860 0.03 1 149 149 14 LYS HE2 H 2.8290 0.03 1 150 149 14 LYS HE3 H 2.8290 0.03 1 151 149 14 LYS HG2 H 1.3980 0.03 1 152 149 14 LYS HG3 H 1.3980 0.03 1 153 149 14 LYS C C 179.8544 0.2 1 154 149 14 LYS CA C 60.8134 0.2 1 155 149 14 LYS CB C 32.7338 0.2 1 156 149 14 LYS CD C 30.0303 0.2 1 157 149 14 LYS CE C 42.0128 0.2 1 158 149 14 LYS CG C 27.4147 0.2 1 159 149 14 LYS N N 118.9095 0.2 1 160 150 15 GLU H H 7.7790 0.03 1 161 150 15 GLU HA H 4.3505 0.03 1 162 150 15 GLU HB2 H 2.1280 0.03 1 163 150 15 GLU HB3 H 2.1280 0.03 1 164 150 15 GLU HG2 H 2.3973 0.03 1 165 150 15 GLU HG3 H 2.3973 0.03 1 166 150 15 GLU C C 178.1662 0.2 1 167 150 15 GLU CA C 58.7092 0.2 1 168 150 15 GLU CB C 29.0125 0.2 1 169 150 15 GLU CG C 35.5019 0.2 1 170 150 15 GLU N N 120.6352 0.2 1 171 151 16 GLU H H 8.4490 0.03 1 172 151 16 GLU HA H 4.0440 0.03 1 173 151 16 GLU HB2 H 2.2200 0.03 1 174 151 16 GLU HB3 H 2.2200 0.03 1 175 151 16 GLU HG2 H 2.2320 0.03 2 176 151 16 GLU HG3 H 2.5233 0.03 2 177 151 16 GLU C C 178.9360 0.2 1 178 151 16 GLU CA C 59.9963 0.2 1 179 151 16 GLU CB C 29.7110 0.2 1 180 151 16 GLU CG C 36.5002 0.2 1 181 151 16 GLU N N 122.0723 0.2 1 182 152 17 LEU H H 8.7490 0.03 1 183 152 17 LEU HA H 3.9905 0.03 1 184 152 17 LEU HB2 H 2.0650 0.03 2 185 152 17 LEU HB3 H 1.4810 0.03 2 186 152 17 LEU HD1 H 0.9700 0.03 2 187 152 17 LEU HD2 H 0.9155 0.03 2 188 152 17 LEU HG H 1.6520 0.03 1 189 152 17 LEU C C 177.8061 0.2 1 190 152 17 LEU CA C 58.4629 0.2 1 191 152 17 LEU CB C 41.4925 0.2 1 192 152 17 LEU CD1 C 24.4204 0.2 2 193 152 17 LEU CD2 C 27.1089 0.2 2 194 152 17 LEU CG C 27.0191 0.2 1 195 152 17 LEU N N 119.5339 0.2 1 196 153 18 ARG H H 7.9030 0.03 1 197 153 18 ARG HA H 4.1450 0.03 1 198 153 18 ARG HB2 H 2.0750 0.03 1 199 153 18 ARG HB3 H 2.0750 0.03 1 200 153 18 ARG HD2 H 3.3460 0.03 2 201 153 18 ARG HD3 H 3.1540 0.03 2 202 153 18 ARG C C 180.3087 0.2 1 203 153 18 ARG CA C 59.6345 0.2 1 204 153 18 ARG CB C 30.1869 0.2 1 205 153 18 ARG CD C 43.2871 0.2 1 206 153 18 ARG CG C 27.3542 0.2 1 207 153 18 ARG N N 118.6960 0.2 1 208 154 19 LEU H H 8.2810 0.03 1 209 154 19 LEU HA H 4.1370 0.03 1 210 154 19 LEU HB2 H 1.6715 0.03 2 211 154 19 LEU HB3 H 2.0390 0.03 2 212 154 19 LEU HD1 H 0.9477 0.03 2 213 154 19 LEU HD2 H 0.8945 0.03 2 214 154 19 LEU HG H 1.8097 0.03 1 215 154 19 LEU C C 180.6545 0.2 1 216 154 19 LEU CA C 58.3167 0.2 1 217 154 19 LEU CB C 42.0235 0.2 1 218 154 19 LEU CD1 C 25.1428 0.2 2 219 154 19 LEU CD2 C 23.5679 0.2 2 220 154 19 LEU CG C 27.0480 0.2 1 221 154 19 LEU N N 120.6873 0.2 1 222 155 20 GLU H H 8.7170 0.03 1 223 155 20 GLU HA H 4.5485 0.03 1 224 155 20 GLU HB2 H 1.9290 0.03 2 225 155 20 GLU HB3 H 1.8620 0.03 2 226 155 20 GLU HG2 H 2.9320 0.03 2 227 155 20 GLU HG3 H 2.1925 0.03 2 228 155 20 GLU C C 180.7561 0.2 1 229 155 20 GLU CA C 57.9447 0.2 1 230 155 20 GLU CB C 28.3473 0.2 1 231 155 20 GLU CG C 34.5465 0.2 1 232 155 20 GLU N N 119.5699 0.2 1 233 156 21 GLU H H 9.3080 0.03 1 234 156 21 GLU HA H 4.0540 0.03 1 235 156 21 GLU HB2 H 2.0250 0.03 2 236 156 21 GLU HB3 H 2.2770 0.03 2 237 156 21 GLU HG2 H 2.5983 0.03 2 238 156 21 GLU HG3 H 2.1833 0.03 2 239 156 21 GLU C C 179.3522 0.2 1 240 156 21 GLU CA C 60.5463 0.2 1 241 156 21 GLU CB C 29.7131 0.2 1 242 156 21 GLU CG C 38.1641 0.2 1 243 156 21 GLU N N 122.0909 0.2 1 244 157 22 ALA H H 8.1220 0.03 1 245 157 22 ALA HA H 4.2260 0.03 1 246 157 22 ALA HB H 1.5710 0.03 1 247 157 22 ALA C C 181.0145 0.2 1 248 157 22 ALA CA C 55.2490 0.2 1 249 157 22 ALA CB C 17.5571 0.2 1 250 157 22 ALA N N 122.5053 0.2 1 251 158 23 LYS H H 7.9600 0.03 1 252 158 23 LYS HA H 4.1446 0.03 1 253 158 23 LYS HB2 H 1.9699 0.03 1 254 158 23 LYS HB3 H 1.9699 0.03 1 255 158 23 LYS HD2 H 1.7404 0.03 1 256 158 23 LYS HD3 H 1.7404 0.03 1 257 158 23 LYS HE2 H 2.9214 0.03 1 258 158 23 LYS HE3 H 2.9214 0.03 1 259 158 23 LYS HG2 H 1.3512 0.03 1 260 158 23 LYS HG3 H 1.3512 0.03 1 261 158 23 LYS C C 178.3173 0.2 1 262 158 23 LYS CA C 59.4165 0.2 1 263 158 23 LYS CB C 32.3965 0.2 1 264 158 23 LYS CD C 29.3865 0.2 1 265 158 23 LYS CE C 41.8815 0.2 1 266 158 23 LYS CG C 25.3822 0.2 1 267 158 23 LYS N N 119.9784 0.2 1 268 159 24 LEU H H 7.7740 0.03 1 269 159 24 LEU HA H 4.0914 0.03 1 270 159 24 LEU HB2 H 2.4887 0.03 2 271 159 24 LEU HB3 H 2.5628 0.03 2 272 159 24 LEU HD1 H 1.0475 0.03 2 273 159 24 LEU HD2 H 1.1010 0.03 2 274 159 24 LEU HG H 1.6670 0.03 1 275 159 24 LEU C C 177.3338 0.2 1 276 159 24 LEU CA C 58.4836 0.2 1 277 159 24 LEU CB C 41.7494 0.2 1 278 159 24 LEU CD1 C 24.0216 0.2 2 279 159 24 LEU CD2 C 26.9802 0.2 2 280 159 24 LEU CG C 27.0634 0.2 1 281 159 24 LEU N N 119.6894 0.2 1 282 160 25 VAL H H 7.9480 0.03 1 283 160 25 VAL HA H 3.5545 0.03 1 284 160 25 VAL HB H 2.2133 0.03 1 285 160 25 VAL HG1 H 0.9900 0.03 1 286 160 25 VAL HG2 H 1.1487 0.03 1 287 160 25 VAL C C 178.7739 0.2 1 288 160 25 VAL CA C 66.9905 0.2 1 289 160 25 VAL CB C 31.9299 0.2 1 290 160 25 VAL CG1 C 21.1721 0.2 2 291 160 25 VAL CG2 C 23.0643 0.2 2 292 160 25 VAL N N 118.3705 0.2 1 293 161 26 LEU H H 7.7810 0.03 1 294 161 26 LEU HA H 4.1310 0.03 1 295 161 26 LEU HB2 H 1.9510 0.03 2 296 161 26 LEU HB3 H 1.7485 0.03 2 297 161 26 LEU HD1 H 0.9390 0.03 1 298 161 26 LEU HD2 H 0.9390 0.03 1 299 161 26 LEU HG H 1.6480 0.03 1 300 161 26 LEU C C 178.9912 0.2 1 301 161 26 LEU CA C 58.4513 0.2 1 302 161 26 LEU CB C 41.8302 0.2 1 303 161 26 LEU CD1 C 24.7332 0.2 2 304 161 26 LEU CD2 C 24.2456 0.2 2 305 161 26 LEU CG C 27.0557 0.2 1 306 161 26 LEU N N 120.4810 0.2 1 307 162 27 LEU H H 8.4270 0.03 1 308 162 27 LEU HA H 4.0570 0.03 1 309 162 27 LEU HB2 H 1.9930 0.03 2 310 162 27 LEU HB3 H 1.4303 0.03 2 311 162 27 LEU HD1 H 0.9395 0.03 2 312 162 27 LEU HD2 H 0.8525 0.03 2 313 162 27 LEU HG H 2.0427 0.03 1 314 162 27 LEU C C 179.4185 0.2 1 315 162 27 LEU CA C 58.4700 0.2 1 316 162 27 LEU CB C 42.6716 0.2 1 317 162 27 LEU CD1 C 22.8798 0.2 2 318 162 27 LEU CD2 C 26.4324 0.2 2 319 162 27 LEU CG C 26.6063 0.2 1 320 162 27 LEU N N 118.6784 0.2 1 321 163 28 LYS H H 8.2700 0.03 1 322 163 28 LYS HA H 3.9240 0.03 1 323 163 28 LYS HB2 H 1.9780 0.03 1 324 163 28 LYS HB3 H 1.9780 0.03 1 325 163 28 LYS HD2 H 1.6960 0.03 1 326 163 28 LYS HD3 H 1.6960 0.03 1 327 163 28 LYS HE2 H 3.0010 0.03 1 328 163 28 LYS HE3 H 3.0010 0.03 1 329 163 28 LYS HG2 H 1.3910 0.03 1 330 163 28 LYS HG3 H 1.3910 0.03 1 331 163 28 LYS C C 179.7571 0.2 1 332 163 28 LYS CA C 60.8155 0.2 1 333 163 28 LYS CB C 32.6108 0.2 1 334 163 28 LYS CD C 29.7540 0.2 1 335 163 28 LYS CE C 42.0750 0.2 1 336 163 28 LYS CG C 27.1003 0.2 1 337 163 28 LYS N N 117.2134 0.2 1 338 164 29 LYS H H 8.2310 0.03 1 339 164 29 LYS HA H 4.1230 0.03 1 340 164 29 LYS HB2 H 2.0220 0.03 1 341 164 29 LYS HB3 H 2.0220 0.03 1 342 164 29 LYS HD2 H 1.6870 0.03 1 343 164 29 LYS HD3 H 1.6870 0.03 1 344 164 29 LYS HE2 H 2.9610 0.03 1 345 164 29 LYS HE3 H 2.9610 0.03 1 346 164 29 LYS HG2 H 1.4600 0.03 1 347 164 29 LYS HG3 H 1.4600 0.03 1 348 164 29 LYS C C 179.8596 0.2 1 349 164 29 LYS CA C 59.5594 0.2 1 350 164 29 LYS CB C 32.5548 0.2 1 351 164 29 LYS CD C 29.4920 0.2 1 352 164 29 LYS CE C 42.0600 0.2 1 353 164 29 LYS CG C 25.2569 0.2 1 354 164 29 LYS N N 121.4868 0.2 1 355 165 30 LEU H H 8.5970 0.03 1 356 165 30 LEU HA H 4.1590 0.03 1 357 165 30 LEU HB2 H 1.9620 0.03 2 358 165 30 LEU HB3 H 1.5845 0.03 2 359 165 30 LEU HD1 H 0.8880 0.03 2 360 165 30 LEU HD2 H 0.8950 0.03 2 361 165 30 LEU HG H 1.8140 0.03 1 362 165 30 LEU C C 179.9298 0.2 1 363 165 30 LEU CA C 57.8888 0.2 1 364 165 30 LEU CB C 41.9866 0.2 1 365 165 30 LEU CD1 C 25.1432 0.2 2 366 165 30 LEU CD2 C 23.2445 0.2 2 367 165 30 LEU CG C 26.8919 0.2 1 368 165 30 LEU N N 122.0246 0.2 1 369 166 31 ARG H H 8.4410 0.03 1 370 166 31 ARG HA H 4.0547 0.03 1 371 166 31 ARG HB2 H 1.7281 0.03 1 372 166 31 ARG HB3 H 1.7281 0.03 1 373 166 31 ARG HD2 H 3.2260 0.03 2 374 166 31 ARG HD3 H 2.8790 0.03 2 375 166 31 ARG HG2 H 1.6550 0.03 1 376 166 31 ARG HG3 H 1.6550 0.03 1 377 166 31 ARG C C 177.9572 0.2 1 378 166 31 ARG CA C 58.9007 0.2 1 379 166 31 ARG CB C 29.8005 0.2 1 380 166 31 ARG CD C 43.4195 0.2 1 381 166 31 ARG CG C 26.6101 0.2 1 382 166 31 ARG N N 120.2436 0.2 1 383 167 32 GLN H H 7.9540 0.03 1 384 167 32 GLN HA H 4.0990 0.03 1 385 167 32 GLN HB2 H 2.2260 0.03 1 386 167 32 GLN HB3 H 2.2260 0.03 1 387 167 32 GLN HG2 H 2.4970 0.03 1 388 167 32 GLN HG3 H 2.4970 0.03 1 389 167 32 GLN C C 178.1103 0.2 1 390 167 32 GLN CA C 58.5521 0.2 1 391 167 32 GLN CB C 28.3773 0.2 1 392 167 32 GLN CG C 33.7516 0.2 1 393 167 32 GLN N N 117.1887 0.2 1 394 168 33 SER H H 8.0400 0.03 1 395 168 33 SER HA H 4.3740 0.03 1 396 168 33 SER HB2 H 4.0490 0.03 1 397 168 33 SER HB3 H 4.0490 0.03 1 398 168 33 SER C C 175.8820 0.2 1 399 168 33 SER CA C 60.8939 0.2 1 400 168 33 SER CB C 63.3573 0.2 1 401 168 33 SER N N 114.2068 0.2 1 402 169 34 GLN H H 7.9710 0.03 1 403 169 34 GLN HA H 4.2351 0.03 1 404 169 34 GLN HB2 H 2.1771 0.03 1 405 169 34 GLN HB3 H 2.1771 0.03 1 406 169 34 GLN HE21 H 7.1580 0.03 2 407 169 34 GLN HE22 H 7.5290 0.03 2 408 169 34 GLN HG2 H 2.6280 0.03 2 409 169 34 GLN HG3 H 2.4710 0.03 2 410 169 34 GLN C C 177.5755 0.2 1 411 169 34 GLN CA C 57.6159 0.2 1 412 169 34 GLN CB C 28.4603 0.2 1 413 169 34 GLN CG C 33.9466 0.2 1 414 169 34 GLN N N 121.3847 0.2 1 415 169 34 GLN NE2 N 110.4118 0.2 1 416 170 35 ILE H H 7.9750 0.03 1 417 170 35 ILE HA H 4.0330 0.03 1 418 170 35 ILE HB H 1.9575 0.03 1 419 170 35 ILE HD1 H 0.8775 0.03 1 420 170 35 ILE HG12 H 1.2620 0.03 2 421 170 35 ILE HG13 H 1.6360 0.03 2 422 170 35 ILE HG2 H 0.9540 0.03 1 423 170 35 ILE C C 177.4750 0.2 1 424 170 35 ILE CA C 63.1792 0.2 1 425 170 35 ILE CB C 38.5843 0.2 1 426 170 35 ILE CD1 C 13.4872 0.2 1 427 170 35 ILE CG1 C 27.9947 0.2 1 428 170 35 ILE CG2 C 17.2640 0.2 1 429 170 35 ILE N N 119.6424 0.2 1 430 171 36 GLN H H 8.1100 0.03 1 431 171 36 GLN HA H 4.2610 0.03 1 432 171 36 GLN HB2 H 2.1455 0.03 1 433 171 36 GLN HB3 H 2.1455 0.03 1 434 171 36 GLN HG2 H 2.4585 0.03 1 435 171 36 GLN HG3 H 2.4585 0.03 1 436 171 36 GLN C C 176.7882 0.2 1 437 171 36 GLN CA C 57.0303 0.2 1 438 171 36 GLN CB C 28.9908 0.2 1 439 171 36 GLN CG C 33.9653 0.2 1 440 171 36 GLN N N 121.6769 0.2 1 441 172 37 LYS H H 8.1380 0.03 1 442 172 37 LYS HA H 4.2470 0.03 1 443 172 37 LYS HB2 H 1.8860 0.03 1 444 172 37 LYS HB3 H 1.8860 0.03 1 445 172 37 LYS HD2 H 1.7030 0.03 1 446 172 37 LYS HD3 H 1.7030 0.03 1 447 172 37 LYS HE2 H 3.0070 0.03 1 448 172 37 LYS HE3 H 3.0070 0.03 1 449 172 37 LYS HG2 H 1.4900 0.03 1 450 172 37 LYS HG3 H 1.4900 0.03 1 451 172 37 LYS C C 177.3241 0.2 1 452 172 37 LYS CA C 57.2740 0.2 1 453 172 37 LYS CB C 32.8565 0.2 1 454 172 37 LYS CD C 28.9170 0.2 1 455 172 37 LYS CE C 42.1380 0.2 1 456 172 37 LYS CG C 24.7927 0.2 1 457 172 37 LYS N N 121.4369 0.2 1 458 173 38 GLU H H 8.2640 0.03 1 459 173 38 GLU HA H 4.2490 0.03 1 460 173 38 GLU HB2 H 2.0290 0.03 2 461 173 38 GLU HB3 H 2.1010 0.03 2 462 173 38 GLU HG2 H 2.3670 0.03 2 463 173 38 GLU HG3 H 2.3130 0.03 2 464 173 38 GLU C C 176.8851 0.2 1 465 173 38 GLU CA C 57.1196 0.2 1 466 173 38 GLU CB C 30.1020 0.2 1 467 173 38 GLU CG C 36.3934 0.2 1 468 173 38 GLU N N 120.7967 0.2 1 469 174 39 ALA H H 8.2470 0.03 1 470 174 39 ALA HA H 4.3590 0.03 1 471 174 39 ALA HB H 1.4660 0.03 1 472 174 39 ALA C C 178.2390 0.2 1 473 174 39 ALA CA C 53.0703 0.2 1 474 174 39 ALA CB C 19.0714 0.2 1 475 174 39 ALA N N 124.1409 0.2 1 476 175 40 THR H H 7.9780 0.03 1 477 175 40 THR HA H 4.3260 0.03 1 478 175 40 THR HB H 4.2740 0.03 1 479 175 40 THR HG2 H 1.2500 0.03 1 480 175 40 THR C C 174.3146 0.2 1 481 175 40 THR CA C 61.8928 0.2 1 482 175 40 THR CB C 69.8988 0.2 1 483 175 40 THR CG2 C 21.6517 0.2 1 484 175 40 THR N N 112.2264 0.2 1 485 176 41 ALA H H 8.1390 0.03 1 486 176 41 ALA HA H 4.3530 0.03 1 487 176 41 ALA HB H 1.4280 0.03 1 488 176 41 ALA C C 177.4655 0.2 1 489 176 41 ALA CA C 52.6585 0.2 1 490 176 41 ALA CB C 19.2921 0.2 1 491 176 41 ALA N N 126.2301 0.2 1 492 177 42 GLN H H 8.3130 0.03 1 493 177 42 GLN HA H 4.3180 0.03 1 494 177 42 GLN HB2 H 2.1400 0.03 2 495 177 42 GLN HB3 H 2.0030 0.03 2 496 177 42 GLN HG2 H 2.4030 0.03 1 497 177 42 GLN HG3 H 2.4030 0.03 1 498 177 42 GLN C C 175.0587 0.2 1 499 177 42 GLN CA C 55.9036 0.2 1 500 177 42 GLN CB C 29.5368 0.2 1 501 177 42 GLN CG C 33.9335 0.2 1 502 177 42 GLN N N 120.3673 0.2 1 503 178 43 LYS H H 8.0080 0.03 1 504 178 43 LYS HA H 4.1765 0.03 1 505 178 43 LYS HB2 H 1.8342 0.03 2 506 178 43 LYS HB3 H 1.7278 0.03 2 507 178 43 LYS HD2 H 1.6925 0.03 1 508 178 43 LYS HD3 H 1.6925 0.03 1 509 178 43 LYS HE2 H 3.0100 0.03 1 510 178 43 LYS HE3 H 3.0100 0.03 1 511 178 43 LYS HG2 H 1.4082 0.03 1 512 178 43 LYS HG3 H 1.4082 0.03 1 513 178 43 LYS CA C 57.6784 0.2 1 514 178 43 LYS CB C 33.6746 0.2 1 515 178 43 LYS CD C 29.1647 0.2 1 516 178 43 LYS CE C 42.2344 0.2 1 517 178 43 LYS CG C 24.7364 0.2 1 518 178 43 LYS N N 128.3508 0.2 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HBHA(CO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $15N13Cp66a:MBD2 $15N13CMBD2:p66a stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name MBD2 _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 3 LYS HA H 4.3533 0.03 1 2 211 3 LYS HB2 H 1.8334 0.03 2 3 211 3 LYS HB3 H 1.7420 0.03 2 4 211 3 LYS HD2 H 1.7087 0.03 1 5 211 3 LYS HD3 H 1.7087 0.03 1 6 211 3 LYS HE2 H 3.0290 0.03 1 7 211 3 LYS HE3 H 3.0290 0.03 1 8 211 3 LYS HG2 H 1.4530 0.03 1 9 211 3 LYS HG3 H 1.4530 0.03 1 10 211 3 LYS C C 176.0660 0.2 1 11 211 3 LYS CA C 56.2030 0.2 1 12 211 3 LYS CB C 33.1272 0.2 1 13 211 3 LYS CD C 29.1298 0.2 1 14 211 3 LYS CE C 42.1875 0.2 1 15 211 3 LYS CG C 24.7455 0.2 1 16 212 4 ALA H H 8.2810 0.03 1 17 212 4 ALA HA H 4.2790 0.03 1 18 212 4 ALA HB H 1.3160 0.03 1 19 212 4 ALA C C 176.8844 0.2 1 20 212 4 ALA CA C 52.4066 0.2 1 21 212 4 ALA CB C 19.3844 0.2 1 22 212 4 ALA N N 125.4726 0.2 1 23 213 5 PHE H H 8.0820 0.03 1 24 213 5 PHE HA H 4.6830 0.03 1 25 213 5 PHE HB2 H 3.1100 0.03 2 26 213 5 PHE HB3 H 3.0495 0.03 2 27 213 5 PHE HD1 H 7.1860 0.03 1 28 213 5 PHE HD2 H 7.1860 0.03 1 29 213 5 PHE HE1 H 7.2750 0.03 1 30 213 5 PHE HE2 H 7.2750 0.03 1 31 213 5 PHE HZ H 7.2120 0.03 1 32 213 5 PHE C C 174.6375 0.2 1 33 213 5 PHE CA C 56.9312 0.2 1 34 213 5 PHE CB C 39.5693 0.2 1 35 213 5 PHE CD1 C 131.8150 0.2 1 36 213 5 PHE CD2 C 131.8150 0.2 1 37 213 5 PHE CE1 C 131.4200 0.2 1 38 213 5 PHE CE2 C 131.4200 0.2 1 39 213 5 PHE CZ C 129.6520 0.2 1 40 213 5 PHE N N 120.0696 0.2 1 41 214 6 ILE H H 8.0450 0.03 1 42 214 6 ILE HA H 4.1290 0.03 1 43 214 6 ILE HB H 1.7956 0.03 1 44 214 6 ILE HD1 H 0.7998 0.03 1 45 214 6 ILE HG12 H 1.4200 0.03 2 46 214 6 ILE HG13 H 1.1700 0.03 2 47 214 6 ILE HG2 H 0.8115 0.03 1 48 214 6 ILE C C 175.2634 0.2 1 49 214 6 ILE CA C 60.1997 0.2 1 50 214 6 ILE CB C 38.7715 0.2 1 51 214 6 ILE CD1 C 12.0977 0.2 1 52 214 6 ILE CG1 C 27.1412 0.2 1 53 214 6 ILE CG2 C 17.4474 0.2 1 54 214 6 ILE N N 124.3447 0.2 1 55 215 7 VAL H H 8.5480 0.03 1 56 215 7 VAL HA H 4.2860 0.03 1 57 215 7 VAL HB H 1.8045 0.03 1 58 215 7 VAL HG1 H 1.1090 0.03 2 59 215 7 VAL HG2 H 1.0480 0.03 2 60 215 7 VAL C C 176.0869 0.2 1 61 215 7 VAL CA C 62.0898 0.2 1 62 215 7 VAL CB C 33.4786 0.2 1 63 215 7 VAL CG1 C 22.5455 0.2 2 64 215 7 VAL CG2 C 22.6797 0.2 2 65 215 7 VAL N N 127.0177 0.2 1 66 216 8 THR H H 9.2740 0.03 1 67 216 8 THR HA H 4.6940 0.03 1 68 216 8 THR HB H 3.7250 0.03 1 69 216 8 THR HG2 H 1.2845 0.03 1 70 216 8 THR C C 175.6673 0.2 1 71 216 8 THR CA C 60.0140 0.2 1 72 216 8 THR CB C 72.2167 0.2 1 73 216 8 THR CG2 C 21.5520 0.2 1 74 216 8 THR N N 118.8529 0.2 1 75 217 9 ASP H H 8.9660 0.03 1 76 217 9 ASP HA H 4.4290 0.03 1 77 217 9 ASP HB2 H 2.7160 0.03 2 78 217 9 ASP HB3 H 2.6550 0.03 2 79 217 9 ASP C C 179.1791 0.2 1 80 217 9 ASP CA C 57.8738 0.2 1 81 217 9 ASP CB C 40.0888 0.2 1 82 217 9 ASP N N 120.0979 0.2 1 83 218 10 GLU H H 8.3280 0.03 1 84 218 10 GLU HA H 4.1490 0.03 1 85 218 10 GLU HB2 H 1.9410 0.03 2 86 218 10 GLU HB3 H 2.0960 0.03 2 87 218 10 GLU HG2 H 2.3515 0.03 2 88 218 10 GLU HG3 H 2.3010 0.03 2 89 218 10 GLU C C 177.9998 0.2 1 90 218 10 GLU CA C 59.3975 0.2 1 91 218 10 GLU CB C 29.3420 0.2 1 92 218 10 GLU CG C 36.3170 0.2 1 93 218 10 GLU N N 121.3276 0.2 1 94 219 11 ASP H H 7.8400 0.03 1 95 219 11 ASP HA H 4.3740 0.03 1 96 219 11 ASP HB2 H 3.2290 0.03 2 97 219 11 ASP HB3 H 2.6300 0.03 2 98 219 11 ASP C C 179.8870 0.2 1 99 219 11 ASP CA C 57.8515 0.2 1 100 219 11 ASP CB C 41.0926 0.2 1 101 219 11 ASP N N 120.0966 0.2 1 102 220 12 ILE H H 7.4590 0.03 1 103 220 12 ILE HA H 3.5654 0.03 1 104 220 12 ILE HB H 2.1107 0.03 1 105 220 12 ILE HD1 H 0.8277 0.03 1 106 220 12 ILE HG12 H 1.1270 0.03 2 107 220 12 ILE HG13 H 1.6533 0.03 2 108 220 12 ILE HG2 H 0.9240 0.03 1 109 220 12 ILE C C 176.9615 0.2 1 110 220 12 ILE CA C 65.0706 0.2 1 111 220 12 ILE CB C 37.2917 0.2 1 112 220 12 ILE CD1 C 13.0616 0.2 1 113 220 12 ILE CG1 C 29.8234 0.2 1 114 220 12 ILE CG2 C 17.7079 0.2 1 115 220 12 ILE N N 120.0071 0.2 1 116 221 13 ARG H H 8.2450 0.03 1 117 221 13 ARG HA H 4.1700 0.03 1 118 221 13 ARG HB2 H 1.9627 0.03 1 119 221 13 ARG HB3 H 1.9627 0.03 1 120 221 13 ARG HD2 H 3.2660 0.03 2 121 221 13 ARG HD3 H 3.2120 0.03 2 122 221 13 ARG HG2 H 1.7670 0.03 2 123 221 13 ARG HG3 H 1.6520 0.03 2 124 221 13 ARG C C 179.7621 0.2 1 125 221 13 ARG CA C 59.6244 0.2 1 126 221 13 ARG CB C 29.9649 0.2 1 127 221 13 ARG CD C 43.1361 0.2 1 128 221 13 ARG CG C 27.4830 0.2 1 129 221 13 ARG N N 121.1791 0.2 1 130 222 14 LYS H H 8.5000 0.03 1 131 222 14 LYS HA H 4.0835 0.03 1 132 222 14 LYS HB2 H 2.0977 0.03 1 133 222 14 LYS HB3 H 2.0977 0.03 1 134 222 14 LYS HD2 H 1.7400 0.03 1 135 222 14 LYS HD3 H 1.7400 0.03 1 136 222 14 LYS HE2 H 2.9970 0.03 1 137 222 14 LYS HE3 H 2.9970 0.03 1 138 222 14 LYS HG2 H 1.7250 0.03 2 139 222 14 LYS HG3 H 1.5410 0.03 2 140 222 14 LYS C C 179.4587 0.2 1 141 222 14 LYS CA C 59.4399 0.2 1 142 222 14 LYS CB C 32.5551 0.2 1 143 222 14 LYS CD C 29.2826 0.2 1 144 222 14 LYS CE C 42.1375 0.2 1 145 222 14 LYS CG C 25.5688 0.2 1 146 222 14 LYS N N 118.0434 0.2 1 147 223 15 GLN H H 7.7660 0.03 1 148 223 15 GLN HA H 4.3830 0.03 1 149 223 15 GLN HB2 H 2.2055 0.03 2 150 223 15 GLN HB3 H 2.0605 0.03 2 151 223 15 GLN HG2 H 2.3705 0.03 2 152 223 15 GLN HG3 H 2.1910 0.03 2 153 223 15 GLN C C 177.9593 0.2 1 154 223 15 GLN CA C 57.1686 0.2 1 155 223 15 GLN CB C 26.5062 0.2 1 156 223 15 GLN CG C 32.7108 0.2 1 157 223 15 GLN N N 120.8914 0.2 1 158 224 16 GLU H H 9.1110 0.03 1 159 224 16 GLU HA H 3.9630 0.03 1 160 224 16 GLU HB2 H 2.4260 0.03 2 161 224 16 GLU HB3 H 2.0780 0.03 2 162 224 16 GLU HG2 H 2.5140 0.03 2 163 224 16 GLU HG3 H 2.2660 0.03 2 164 224 16 GLU C C 179.8281 0.2 1 165 224 16 GLU CA C 60.3439 0.2 1 166 224 16 GLU CB C 29.3697 0.2 1 167 224 16 GLU CG C 37.4562 0.2 1 168 224 16 GLU N N 122.9775 0.2 1 169 225 17 GLU H H 8.1150 0.03 1 170 225 17 GLU HA H 4.0910 0.03 1 171 225 17 GLU HB2 H 2.1670 0.03 1 172 225 17 GLU HB3 H 2.1670 0.03 1 173 225 17 GLU HG2 H 2.4830 0.03 2 174 225 17 GLU HG3 H 2.2400 0.03 2 175 225 17 GLU C C 178.6952 0.2 1 176 225 17 GLU CA C 59.5836 0.2 1 177 225 17 GLU CB C 29.3042 0.2 1 178 225 17 GLU CG C 36.6232 0.2 1 179 225 17 GLU N N 119.9053 0.2 1 180 226 18 ARG H H 7.7800 0.03 1 181 226 18 ARG HA H 4.1240 0.03 1 182 226 18 ARG HB2 H 2.0170 0.03 1 183 226 18 ARG HB3 H 2.0170 0.03 1 184 226 18 ARG HD2 H 3.3615 0.03 2 185 226 18 ARG HD3 H 3.2306 0.03 2 186 226 18 ARG HG2 H 1.6425 0.03 1 187 226 18 ARG HG3 H 1.6425 0.03 1 188 226 18 ARG C C 178.8850 0.2 1 189 226 18 ARG CA C 59.3896 0.2 1 190 226 18 ARG CB C 29.5071 0.2 1 191 226 18 ARG CD C 42.9698 0.2 1 192 226 18 ARG CG C 27.4747 0.2 1 193 226 18 ARG N N 121.1340 0.2 1 194 227 19 VAL H H 8.2020 0.03 1 195 227 19 VAL HA H 3.3700 0.03 1 196 227 19 VAL HB H 2.3210 0.03 1 197 227 19 VAL HG1 H 0.9852 0.03 1 198 227 19 VAL HG2 H 1.0950 0.03 1 199 227 19 VAL C C 177.3431 0.2 1 200 227 19 VAL CA C 67.6192 0.2 1 201 227 19 VAL CB C 31.8136 0.2 1 202 227 19 VAL CG1 C 21.8949 0.2 2 203 227 19 VAL CG2 C 24.5655 0.2 2 204 227 19 VAL N N 118.8633 0.2 1 205 228 20 GLN H H 8.0480 0.03 1 206 228 20 GLN HA H 4.0145 0.03 1 207 228 20 GLN HB2 H 2.2120 0.03 1 208 228 20 GLN HB3 H 2.2120 0.03 1 209 228 20 GLN HG2 H 2.5293 0.03 1 210 228 20 GLN HG3 H 2.5293 0.03 1 211 228 20 GLN C C 178.7468 0.2 1 212 228 20 GLN CA C 58.9315 0.2 1 213 228 20 GLN CB C 28.0037 0.2 1 214 228 20 GLN CG C 33.6082 0.2 1 215 228 20 GLN N N 117.6030 0.2 1 216 229 21 GLN H H 8.3350 0.03 1 217 229 21 GLN HA H 4.0850 0.03 1 218 229 21 GLN HB2 H 2.3587 0.03 1 219 229 21 GLN HB3 H 2.3587 0.03 1 220 229 21 GLN HG2 H 2.6493 0.03 2 221 229 21 GLN HG3 H 2.4643 0.03 2 222 229 21 GLN C C 179.3591 0.2 1 223 229 21 GLN CA C 59.0761 0.2 1 224 229 21 GLN CB C 28.3180 0.2 1 225 229 21 GLN CG C 34.0047 0.2 1 226 229 21 GLN N N 119.1629 0.2 1 227 230 22 VAL H H 8.0590 0.03 1 228 230 22 VAL HA H 3.7175 0.03 1 229 230 22 VAL HB H 2.1493 0.03 1 230 230 22 VAL HG1 H 1.1250 0.03 2 231 230 22 VAL HG2 H 1.0353 0.03 2 232 230 22 VAL C C 177.5579 0.2 1 233 230 22 VAL CA C 66.5914 0.2 1 234 230 22 VAL CB C 31.2455 0.2 1 235 230 22 VAL CG1 C 22.8472 0.2 2 236 230 22 VAL CG2 C 22.6726 0.2 2 237 230 22 VAL N N 120.6084 0.2 1 238 231 23 ARG H H 8.6940 0.03 1 239 231 23 ARG HA H 3.8617 0.03 1 240 231 23 ARG HB2 H 1.9225 0.03 1 241 231 23 ARG HB3 H 1.9225 0.03 1 242 231 23 ARG HD2 H 3.2730 0.03 2 243 231 23 ARG HD3 H 3.1765 0.03 2 244 231 23 ARG HG2 H 1.7790 0.03 2 245 231 23 ARG HG3 H 1.6270 0.03 2 246 231 23 ARG C C 178.7392 0.2 1 247 231 23 ARG CA C 60.7816 0.2 1 248 231 23 ARG CB C 29.8613 0.2 1 249 231 23 ARG CD C 43.4441 0.2 1 250 231 23 ARG CG C 28.3970 0.2 1 251 231 23 ARG N N 120.8221 0.2 1 252 232 24 LYS H H 8.1670 0.03 1 253 232 24 LYS HA H 4.1470 0.03 1 254 232 24 LYS HB2 H 1.9716 0.03 1 255 232 24 LYS HB3 H 1.9716 0.03 1 256 232 24 LYS HD2 H 1.7280 0.03 1 257 232 24 LYS HD3 H 1.7280 0.03 1 258 232 24 LYS HE2 H 3.0090 0.03 1 259 232 24 LYS HE3 H 3.0090 0.03 1 260 232 24 LYS HG2 H 1.5625 0.03 2 261 232 24 LYS HG3 H 1.4860 0.03 2 262 232 24 LYS C C 178.7230 0.2 1 263 232 24 LYS CA C 59.1140 0.2 1 264 232 24 LYS CB C 32.1774 0.2 1 265 232 24 LYS CD C 28.9807 0.2 1 266 232 24 LYS CE C 42.1465 0.2 1 267 232 24 LYS CG C 24.8866 0.2 1 268 232 24 LYS N N 118.8163 0.2 1 269 233 25 LYS H H 7.6880 0.03 1 270 233 25 LYS HA H 4.1360 0.03 1 271 233 25 LYS HB2 H 1.9150 0.03 1 272 233 25 LYS HB3 H 1.9150 0.03 1 273 233 25 LYS HD2 H 1.7355 0.03 1 274 233 25 LYS HD3 H 1.7355 0.03 1 275 233 25 LYS HE2 H 2.9710 0.03 1 276 233 25 LYS HE3 H 2.9710 0.03 1 277 233 25 LYS HG2 H 1.7305 0.03 2 278 233 25 LYS HG3 H 1.5370 0.03 2 279 233 25 LYS C C 179.8957 0.2 1 280 233 25 LYS CA C 59.3412 0.2 1 281 233 25 LYS CB C 32.5383 0.2 1 282 233 25 LYS CD C 29.3024 0.2 1 283 233 25 LYS CE C 42.1233 0.2 1 284 233 25 LYS CG C 25.5429 0.2 1 285 233 25 LYS N N 119.3430 0.2 1 286 234 26 LEU H H 8.5340 0.03 1 287 234 26 LEU HA H 4.1660 0.03 1 288 234 26 LEU HB2 H 2.1925 0.03 2 289 234 26 LEU HB3 H 1.4287 0.03 2 290 234 26 LEU HD1 H 0.9975 0.03 2 291 234 26 LEU HD2 H 0.9447 0.03 2 292 234 26 LEU HG H 1.6520 0.03 1 293 234 26 LEU C C 177.3595 0.2 1 294 234 26 LEU CA C 58.2141 0.2 1 295 234 26 LEU CB C 41.3251 0.2 1 296 234 26 LEU CD1 C 24.1941 0.2 2 297 234 26 LEU CD2 C 27.4513 0.2 2 298 234 26 LEU CG C 27.4967 0.2 1 299 234 26 LEU N N 121.9491 0.2 1 300 235 27 GLU H H 8.5400 0.03 1 301 235 27 GLU HA H 3.9180 0.03 1 302 235 27 GLU HB2 H 2.2200 0.03 2 303 235 27 GLU HB3 H 2.0990 0.03 2 304 235 27 GLU HG2 H 2.4860 0.03 2 305 235 27 GLU HG3 H 2.2470 0.03 2 306 235 27 GLU C C 179.7481 0.2 1 307 235 27 GLU CA C 59.9514 0.2 1 308 235 27 GLU CB C 29.3420 0.2 1 309 235 27 GLU CG C 36.7916 0.2 1 310 235 27 GLU N N 119.2271 0.2 1 311 236 28 GLU H H 8.2130 0.03 1 312 236 28 GLU HA H 4.0280 0.03 1 313 236 28 GLU HB2 H 2.0810 0.03 1 314 236 28 GLU HB3 H 2.0810 0.03 1 315 236 28 GLU HG2 H 2.5020 0.03 2 316 236 28 GLU HG3 H 2.2500 0.03 2 317 236 28 GLU C C 179.2277 0.2 1 318 236 28 GLU CA C 59.4260 0.2 1 319 236 28 GLU CB C 29.4530 0.2 1 320 236 28 GLU CG C 36.9044 0.2 1 321 236 28 GLU N N 117.7771 0.2 1 322 237 29 ALA H H 8.0170 0.03 1 323 237 29 ALA HA H 4.2240 0.03 1 324 237 29 ALA HB H 1.4900 0.03 1 325 237 29 ALA C C 180.0539 0.2 1 326 237 29 ALA CA C 54.8108 0.2 1 327 237 29 ALA CB C 18.6229 0.2 1 328 237 29 ALA N N 122.7911 0.2 1 329 238 30 LEU H H 8.3310 0.03 1 330 238 30 LEU HA H 4.0920 0.03 1 331 238 30 LEU HB2 H 1.9290 0.03 2 332 238 30 LEU HB3 H 1.5330 0.03 2 333 238 30 LEU HD1 H 0.9265 0.03 2 334 238 30 LEU HD2 H 0.8877 0.03 2 335 238 30 LEU HG H 1.8452 0.03 1 336 238 30 LEU C C 179.0131 0.2 1 337 238 30 LEU CA C 56.7929 0.2 1 338 238 30 LEU CB C 42.5068 0.2 1 339 238 30 LEU CD1 C 23.4235 0.2 2 340 238 30 LEU CD2 C 25.9145 0.2 2 341 238 30 LEU CG C 27.0185 0.2 1 342 238 30 LEU N N 117.4813 0.2 1 343 239 31 MET H H 7.6830 0.03 1 344 239 31 MET HA H 4.4470 0.03 1 345 239 31 MET HB2 H 2.1680 0.03 1 346 239 31 MET HB3 H 2.1680 0.03 1 347 239 31 MET HE H 2.1220 0.03 1 348 239 31 MET HG2 H 2.7730 0.03 2 349 239 31 MET HG3 H 2.6770 0.03 2 350 239 31 MET C C 176.5484 0.2 1 351 239 31 MET CA C 56.1549 0.2 1 352 239 31 MET CB C 32.6551 0.2 1 353 239 31 MET CE C 16.8818 0.2 1 354 239 31 MET CG C 32.1721 0.2 1 355 239 31 MET N N 116.9269 0.2 1 356 240 32 ALA H H 7.6340 0.03 1 357 240 32 ALA HA H 4.2590 0.03 1 358 240 32 ALA HB H 1.4585 0.03 1 359 240 32 ALA C C 177.7014 0.2 1 360 240 32 ALA CA C 53.2785 0.2 1 361 240 32 ALA CB C 19.1279 0.2 1 362 240 32 ALA N N 122.5316 0.2 1 363 241 33 ASP H H 8.1450 0.03 1 364 241 33 ASP HA H 4.5925 0.03 1 365 241 33 ASP HB2 H 2.7340 0.03 2 366 241 33 ASP HB3 H 2.6390 0.03 2 367 241 33 ASP C C 176.4038 0.2 1 368 241 33 ASP CA C 54.8255 0.2 1 369 241 33 ASP CB C 41.4790 0.2 1 370 241 33 ASP N N 118.6644 0.2 1 371 242 34 ILE H H 7.9290 0.03 1 372 242 34 ILE HA H 4.2212 0.03 1 373 242 34 ILE HB H 1.9552 0.03 1 374 242 34 ILE HD1 H 0.8930 0.03 1 375 242 34 ILE HG12 H 1.5120 0.03 2 376 242 34 ILE HG13 H 1.2240 0.03 2 377 242 34 ILE HG2 H 0.9390 0.03 1 378 242 34 ILE C C 176.2315 0.2 1 379 242 34 ILE CA C 61.4590 0.2 1 380 242 34 ILE CB C 38.7451 0.2 1 381 242 34 ILE CD1 C 13.1583 0.2 1 382 242 34 ILE CG1 C 27.3455 0.2 1 383 242 34 ILE CG2 C 17.6627 0.2 1 384 242 34 ILE N N 119.6425 0.2 1 385 243 35 LEU H H 8.1940 0.03 1 386 243 35 LEU HA H 4.4770 0.03 1 387 243 35 LEU HB2 H 1.6763 0.03 1 388 243 35 LEU HB3 H 1.6763 0.03 1 389 243 35 LEU HD1 H 0.9535 0.03 2 390 243 35 LEU HD2 H 0.8942 0.03 2 391 243 35 LEU HG H 1.6643 0.03 1 392 243 35 LEU C C 176.5281 0.2 1 393 243 35 LEU CA C 55.1427 0.2 1 394 243 35 LEU CB C 42.3744 0.2 1 395 243 35 LEU CD1 C 25.0957 0.2 2 396 243 35 LEU CD2 C 23.3393 0.2 2 397 243 35 LEU CG C 27.0175 0.2 1 398 243 35 LEU N N 125.0452 0.2 1 399 244 36 SER H H 7.8050 0.03 1 400 244 36 SER HA H 4.2675 0.03 1 401 244 36 SER HB2 H 3.8575 0.03 1 402 244 36 SER HB3 H 3.8575 0.03 1 403 244 36 SER CA C 60.1086 0.2 1 404 244 36 SER CB C 64.9898 0.2 1 405 244 36 SER N N 122.1946 0.2 1 stop_ save_