data_5228 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Letter to the Editor: Assignment of a 15 kDa protein complex formed between the p160 coactivator ACTR and the CREB binding protein ; _BMRB_accession_number 5228 _BMRB_flat_file_name bmr5228.str _Entry_type original _Submission_date 2001-12-10 _Accession_date 2001-12-10 _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 Demarest Stephen J. . 2 Chung John H. . 3 Dyson H. J. . 4 Wright Peter E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 617 "13C chemical shifts" 480 "15N chemical shifts" 119 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-08-22 original author . stop_ _Original_release_date 2002-08-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Assignment of a 15 kDa protein complex formed between the p160 coactivator ACTR and the CREB binding protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22012550 _PubMed_ID 12018488 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Demarest Stephen J. . 2 Chung John H. . 3 Dyson H. J. . 4 Wright Peter E. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 22 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 377 _Page_last 378 _Year 2002 _Details . loop_ _Keyword transcription coactivator CBP/p300 'NMR assignment' p160 ACTR 'nuclear hormone receptor' stop_ save_ ################################## # Molecular system description # ################################## save_system_ACTR _Saveframe_category molecular_system _Mol_system_name 'ACTR in complex with the CREB binding protein, CBP' _Abbreviation_common ACTR_CBP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ACTR $ACTR 'CREB binding protein' $CBP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state heterodimer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'coactivator of nuclear hormone receptor mediated transcription' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ACTR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ACTR _Abbreviation_common ACTR _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 71 _Mol_residue_sequence ; GTQNRPLLRNSLDDLVGPPS NLEGQSDERALLDQLHTLLS NTDATGLEEIDRALGIPELV NQGQALEPKQD ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 THR 3 GLN 4 ASN 5 ARG 6 PRO 7 LEU 8 LEU 9 ARG 10 ASN 11 SER 12 LEU 13 ASP 14 ASP 15 LEU 16 VAL 17 GLY 18 PRO 19 PRO 20 SER 21 ASN 22 LEU 23 GLU 24 GLY 25 GLN 26 SER 27 ASP 28 GLU 29 ARG 30 ALA 31 LEU 32 LEU 33 ASP 34 GLN 35 LEU 36 HIS 37 THR 38 LEU 39 LEU 40 SER 41 ASN 42 THR 43 ASP 44 ALA 45 THR 46 GLY 47 LEU 48 GLU 49 GLU 50 ILE 51 ASP 52 ARG 53 ALA 54 LEU 55 GLY 56 ILE 57 PRO 58 GLU 59 LEU 60 VAL 61 ASN 62 GLN 63 GLY 64 GLN 65 ALA 66 LEU 67 GLU 68 PRO 69 LYS 70 GLN 71 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 15398 CBP 100.00 59 100.00 100.00 1.44e-31 BMRB 16363 CBP 100.00 59 100.00 100.00 1.44e-31 BMRB 17073 CBP 100.00 59 100.00 100.00 1.44e-31 PDB 1JJS "Nmr Structure Of Ibid, A Domain Of CbpP300" 77.97 50 100.00 100.00 3.47e-14 PDB 1KBH "Mutual Synergistic Folding In The Interaction Between Nuclear Receptor Coactivators Cbp And Actr" 98.31 59 100.00 100.00 9.52e-31 PDB 1ZOQ "Irf3-Cbp Complex" 79.66 47 100.00 100.00 1.17e-14 PDB 2C52 "Structural Diversity In Cbp P160 Complexes" 100.00 59 100.00 100.00 1.44e-31 PDB 2KKJ "Solution Structure Of The Nuclear Coactivator Binding Domain Of Cbp" 100.00 59 100.00 100.00 1.44e-31 PDB 2L14 "Structure Of Cbp Nuclear Coactivator Binding Domain In Complex With P53 Tad" 100.00 59 100.00 100.00 1.44e-31 DBJ BAE06125 "CREBBP variant protein [Homo sapiens]" 100.00 2472 98.31 98.31 1.02e-26 DBJ BAI45616 "CREB binding protein [synthetic construct]" 100.00 2442 98.31 98.31 1.09e-26 GB AAB28651 "CREB-binding protein [Mus sp.]" 100.00 2441 100.00 100.00 7.34e-28 GB AAC17736 "CBP [Homo sapiens]" 100.00 923 98.31 98.31 6.70e-27 GB AAC51331 "CREB-binding protein [Homo sapiens]" 100.00 2442 98.31 98.31 1.09e-26 GB AAC51340 "CREB-binding protein [Homo sapiens]" 100.00 932 98.31 98.31 7.55e-27 GB AAC51770 "CREB-binding protein [Homo sapiens]" 100.00 2442 98.31 98.31 1.09e-26 PRF 1923401A "protein CBP" 100.00 2441 100.00 100.00 7.55e-28 REF NP_001020603 "CREB-binding protein [Mus musculus]" 100.00 2441 98.31 98.31 1.05e-26 REF NP_001073315 "CREB-binding protein isoform b [Homo sapiens]" 100.00 2404 98.31 98.31 1.02e-26 REF NP_001247644 "CREB-binding protein [Macaca mulatta]" 100.00 2442 98.31 98.31 1.12e-26 REF NP_004371 "CREB-binding protein isoform a [Homo sapiens]" 100.00 2442 98.31 98.31 1.09e-26 REF NP_596872 "CREB-binding protein [Rattus norvegicus]" 100.00 2444 98.31 98.31 1.01e-26 SP P45481 "RecName: Full=CREB-binding protein [Mus musculus]" 100.00 2441 98.31 98.31 1.11e-26 SP Q6JHU9 "RecName: Full=CREB-binding protein [Rattus norvegicus]" 100.00 2442 98.31 98.31 9.41e-27 SP Q92793 "RecName: Full=CREB-binding protein [Homo sapiens]" 100.00 2442 98.31 98.31 1.09e-26 stop_ save_ save_CBP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'CREB binding protein' _Abbreviation_common CBP _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 59 _Mol_residue_sequence ; PNRSISPSALQDLLRTLKSP SSPQQQQQVLNILKSNPQLM AAFIKQRTAKYVANQPGMQ ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 ASN 3 ARG 4 SER 5 ILE 6 SER 7 PRO 8 SER 9 ALA 10 LEU 11 GLN 12 ASP 13 LEU 14 LEU 15 ARG 16 THR 17 LEU 18 LYS 19 SER 20 PRO 21 SER 22 SER 23 PRO 24 GLN 25 GLN 26 GLN 27 GLN 28 GLN 29 VAL 30 LEU 31 ASN 32 ILE 33 LEU 34 LYS 35 SER 36 ASN 37 PRO 38 GLN 39 LEU 40 MET 41 ALA 42 ALA 43 PHE 44 ILE 45 LYS 46 GLN 47 ARG 48 THR 49 ALA 50 LYS 51 TYR 52 VAL 53 ALA 54 ASN 55 GLN 56 PRO 57 GLY 58 MET 59 GLN stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 SWISS-PROT P45481 'CREB-binding protein' 100.00 2441 100.00 100.00 7.00e-25 SWISS-PROT Q92793 'CREB-binding protein' 100.00 2442 98.31 98.31 7.24e-24 REF NP_596872 'CREB binding protein [Rattus norvegicus]' 100.00 2442 98.31 98.31 6.39e-24 REF XP_001095225 'PREDICTED: CREB binding protein [Macaca mulatta]' 100.00 2442 98.31 98.31 7.43e-24 REF NP_001073315 'CREB binding protein isoform b [Homo sapiens]' 100.00 2404 98.31 98.31 6.89e-24 REF NP_004371 'CREB binding protein isoform a [Homo sapiens]' 100.00 2442 98.31 98.31 7.24e-24 PRF 1923401A 'protein CBP' 100.00 2441 100.00 100.00 7.18e-25 REF NP_001020603 'CREB binding protein [Mus musculus]' 100.00 2441 98.31 98.31 7.01e-24 GenBank AAC51340 'CREB-binding protein [Homo sapiens]' 100.00 932 98.31 98.31 8.56e-24 GenBank AAC51770 'CREB-binding protein' 100.00 2442 98.31 98.31 7.24e-24 GenBank AAC17736 'CBP [Homo sapiens]' 100.00 923 98.31 98.31 7.81e-24 GenBank AAC51331 'CREB-binding protein [Homo sapiens]' 100.00 2442 98.31 98.31 7.24e-24 DBJ BAE06125 'CREBBP variant protein [Homo sapiens]' 100.00 2472 98.31 98.31 6.83e-24 GenBank AAB28651 'CREB-binding protein; CBP [Mus sp.]' 100.00 2441 100.00 100.00 7.00e-25 PDB 1ZOQ 'Irf3-Cbp Complex' 79.66 47 100.00 100.00 2.22e-11 PDB 2C52 'Structural Diversity In Cbp P160 Complexes' 100.00 59 100.00 100.00 1.60e-24 PDB 1JJS 'Nmr Structure Of Ibid, A Domain Of CbpP300' 77.97 50 100.00 100.00 4.95e-11 PDB 1KBH 'Mutual Synergistic Folding In The Interaction Between Nuclear Receptor Coactivators Cbp And Actr' 100.00 59 100.00 100.00 1.60e-24 BMRB 15398 CBP 100.00 59 100.00 100.00 1.60e-24 BMRB 6874 'CREB-Binding Protein' 100.00 60 100.00 100.00 1.51e-24 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ACTR Human 9606 Eukaryota Metazoa Homo sapiens $CBP Mouse 10090 Eukaryota Metazoa Mus musculus 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 $ACTR 'recombinant technology' . . . . . $CBP 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $ACTR . mM 1.0 5.0 '[U-95% 13C; U-90% 15N]' $CBP . mM 1.0 5.0 . TrisHCl 10 mM . . . NaCl 50 mM . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $ACTR . mM 1.0 5.0 '[U-90% 15N]' $CBP . mM 1.0 5.0 . TrisHCl 10 mM . . . NaCl 50 mM . . . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $ACTR . mM 1.0 5.0 . $CBP . mM 1.0 5.0 '[U-95% 13C; U-90% 15N]' TrisHCl 10 mM . . . NaCl 50 mM . . . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $ACTR . mM 1.0 5.0 . $CBP . mM 1.0 5.0 '[U-90% 15N]' TrisHCl 10 mM . . . NaCl 50 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_NMRVIEW _Saveframe_category software _Name NMRVIEW _Version 3.0 loop_ _Task Processing stop_ _Details ; Delaglio, F., Grzesiek, S., Vuister, G.W., Guang, Z., Pfeifer, J. & Bax, A. J. Biomol. NMR, 6, 277-293 (1995) . ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 _Details . save_ save_NMR_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ save_NMR_spectrometer_6 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_HSQC_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N HSQC NOESY' _Sample_label . save_ save_3D_1H-13C_HSQC_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C HSQC NOESY' _Sample_label . save_ save_3D_12C-filtered/1H-13C-edited_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 12C-filtered/1H-13C-edited NOESY' _Sample_label . save_ save_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_CBCACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_HBHACONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _Sample_label . save_ save_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_2D_CGCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CGCO' _Sample_label . save_ save_2D_CGCN_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CGCN' _Sample_label . save_ save_3D_HACACB-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HACACB-COSY' _Sample_label . save_ save_3D_HNHA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label . save_ save_3D_HNHB_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label . save_ save_3D_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label . save_ save_3D_CCH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label . save_ save_3D_CCH-COSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-COSY' _Sample_label . save_ save_3D_1H-15N_HSQC_TOCSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N HSQC TOCSY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N HSQC NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C HSQC NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 12C-filtered/1H-13C-edited NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CGCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CGCN' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HACACB-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N HSQC TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Native_cond _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.6 0.1 n/a temperature 304 1 K 'ionic strength' 0.06 0.005 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_ACTR_cs _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $Native_cond _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name ACTR _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 GLY H H 8.45 0.01 1 2 . 1 GLY HA2 H 3.98 0.02 2 3 . 1 GLY C C 174.4 0.1 1 4 . 1 GLY CA C 45.6 0.1 1 5 . 1 GLY N N 110.2 0.1 1 6 . 2 THR H H 8.19 0.01 1 7 . 2 THR HA H 4.36 0.02 1 8 . 2 THR HB H 4.26 0.02 1 9 . 2 THR HG2 H 1.21 0.02 1 10 . 2 THR C C 174.8 0.1 1 11 . 2 THR CA C 62.1 0.1 1 12 . 2 THR CB C 69.7 0.1 1 13 . 2 THR CG2 C 21.8 0.1 1 14 . 2 THR N N 114.4 0.1 1 15 . 3 GLN H H 8.50 0.01 1 16 . 3 GLN HA H 4.34 0.02 1 17 . 3 GLN C C 175.6 0.1 1 18 . 3 GLN CA C 56.0 0.1 1 19 . 3 GLN CB C 29.4 0.1 1 20 . 3 GLN CG C 33.9 0.1 1 21 . 3 GLN N N 123.0 0.1 1 22 . 4 ASN H H 8.49 0.01 1 23 . 4 ASN HA H 4.74 0.02 1 24 . 4 ASN HB2 H 2.86 0.02 2 25 . 4 ASN HB3 H 2.79 0.02 2 26 . 4 ASN C C 174.7 0.1 1 27 . 4 ASN CA C 53.3 0.1 1 28 . 4 ASN CB C 38.8 0.1 1 29 . 4 ASN N N 120.7 0.1 1 30 . 5 ARG H H 8.23 0.01 1 31 . 5 ARG HA H 4.66 0.02 1 32 . 5 ARG CA C 55.6 0.1 1 33 . 5 ARG N N 122.7 0.1 1 34 . 6 PRO HB2 H 2.30 0.02 2 35 . 6 PRO HB3 H 1.96 0.02 2 36 . 6 PRO HG2 H 2.03 0.02 1 37 . 6 PRO HG3 H 2.03 0.02 1 38 . 6 PRO C C 176.6 0.1 1 39 . 6 PRO CA C 63.2 0.1 1 40 . 6 PRO CB C 32.1 0.1 1 41 . 6 PRO CG C 27.5 0.1 1 42 . 6 PRO CD C 50.6 0.1 1 43 . 7 LEU H H 8.32 0.01 1 44 . 7 LEU HA H 4.35 0.02 1 45 . 7 LEU C C 177.1 0.1 1 46 . 7 LEU CA C 55.2 0.1 1 47 . 7 LEU CB C 42.4 0.1 1 48 . 7 LEU CG C 27.5 0.1 1 49 . 7 LEU CD1 C 25.3 0.1 1 50 . 7 LEU CD2 C 22.9 0.1 1 51 . 7 LEU N N 122.9 0.1 1 52 . 8 LEU H H 8.21 0.01 1 53 . 8 LEU HA H 4.42 0.02 1 54 . 8 LEU C C 177.0 0.1 1 55 . 8 LEU CA C 54.9 0.1 1 56 . 8 LEU CB C 42.4 0.1 1 57 . 8 LEU CG C 27.2 0.1 1 58 . 8 LEU CD1 C 25.3 0.1 2 59 . 8 LEU CD2 C 21.6 0.1 2 60 . 8 LEU N N 123.9 0.1 1 61 . 9 ARG H H 8.34 0.01 1 62 . 9 ARG HA H 4.34 0.02 1 63 . 9 ARG HB2 H 1.85 0.02 1 64 . 9 ARG HB3 H 1.85 0.02 1 65 . 9 ARG C C 175.9 0.1 1 66 . 9 ARG CA C 56.0 0.1 1 67 . 9 ARG CB C 31.0 0.1 1 68 . 9 ARG CG C 27.5 0.1 1 69 . 9 ARG CD C 43.3 0.1 1 70 . 9 ARG N N 122.4 0.1 1 71 . 10 ASN H H 8.55 0.01 1 72 . 10 ASN HA H 4.69 0.02 1 73 . 10 ASN HB2 H 2.86 0.02 2 74 . 10 ASN HB3 H 2.75 0.02 2 75 . 10 ASN C C 175.3 0.1 1 76 . 10 ASN CA C 53.3 0.1 1 77 . 10 ASN CB C 39.3 0.1 1 78 . 10 ASN N N 120.7 0.1 1 79 . 11 SER H H 8.36 0.01 1 80 . 11 SER HA H 4.44 0.02 1 81 . 11 SER C C 174.9 0.1 1 82 . 11 SER CA C 58.7 0.1 1 83 . 11 SER CB C 64.1 0.1 1 84 . 11 SER N N 116.9 0.1 1 85 . 12 LEU H H 8.36 0.01 1 86 . 12 LEU HA H 4.35 0.02 1 87 . 12 LEU C C 177.6 0.1 1 88 . 12 LEU CA C 55.9 0.1 1 89 . 12 LEU CB C 41.9 0.1 1 90 . 12 LEU CG C 27.5 0.1 1 91 . 12 LEU CD1 C 25.3 0.1 2 92 . 12 LEU N N 123.8 0.1 1 93 . 13 ASP H H 8.12 0.01 1 94 . 13 ASP HA H 4.53 0.02 1 95 . 13 ASP HB2 H 2.60 0.02 1 96 . 13 ASP HB3 H 2.60 0.02 1 97 . 13 ASP C C 176.3 0.1 1 98 . 13 ASP CA C 55.2 0.1 1 99 . 13 ASP CB C 41.3 0.1 1 100 . 13 ASP N N 120.2 0.1 1 101 . 14 ASP H H 8.12 0.01 1 102 . 14 ASP HA H 4.57 0.02 1 103 . 14 ASP HB2 H 2.68 0.02 2 104 . 14 ASP HB3 H 2.63 0.02 2 105 . 14 ASP C C 176.3 0.1 1 106 . 14 ASP CA C 54.7 0.1 1 107 . 14 ASP CB C 41.3 0.1 1 108 . 14 ASP N N 120.2 0.1 1 109 . 15 LEU H H 8.06 0.01 1 110 . 15 LEU HA H 4.35 0.02 1 111 . 15 LEU C C 177.4 0.1 1 112 . 15 LEU CA C 55.6 0.1 1 113 . 15 LEU CB C 42.4 0.1 1 114 . 15 LEU CG C 27.5 0.1 1 115 . 15 LEU CD1 C 25.3 0.1 2 116 . 15 LEU N N 122.0 0.1 1 117 . 16 VAL H H 7.99 0.01 1 118 . 16 VAL HA H 4.16 0.02 1 119 . 16 VAL HB H 2.12 0.02 1 120 . 16 VAL HG1 H 0.94 0.02 2 121 . 16 VAL HG2 H 0.95 0.02 2 122 . 16 VAL C C 176.3 0.1 1 123 . 16 VAL CA C 62.4 0.1 1 124 . 16 VAL CB C 32.9 0.1 1 125 . 16 VAL CG1 C 20.7 0.1 2 126 . 16 VAL CG2 C 21.2 0.1 2 127 . 16 VAL N N 120.3 0.1 1 128 . 17 GLY H H 8.21 0.01 1 129 . 17 GLY HA2 H 4.17 0.02 2 130 . 17 GLY HA3 H 4.03 0.02 2 131 . 17 GLY CA C 44.5 0.1 1 132 . 17 GLY N N 112.6 0.1 1 133 . 19 PRO C C 177.1 0.1 1 134 . 19 PRO CA C 63.1 0.1 1 135 . 19 PRO CB C 32.0 0.1 1 136 . 19 PRO CG C 28.0 0.1 1 137 . 19 PRO CD C 50.6 0.1 1 138 . 20 SER H H 8.43 0.01 1 139 . 20 SER HA H 4.42 0.02 1 140 . 20 SER HB2 H 3.83 0.02 1 141 . 20 SER HB3 H 3.83 0.02 1 142 . 20 SER C C 174.5 0.1 1 143 . 20 SER CA C 58.4 0.1 1 144 . 20 SER CB C 64.1 0.1 1 145 . 20 SER N N 116.4 0.1 1 146 . 21 ASN H H 8.46 0.01 1 147 . 21 ASN HA H 4.74 0.02 1 148 . 21 ASN C C 175.2 0.1 1 149 . 21 ASN CA C 53.3 0.1 1 150 . 21 ASN CB C 38.8 0.1 1 151 . 21 ASN N N 121.0 0.1 1 152 . 22 LEU H H 8.24 0.01 1 153 . 22 LEU HA H 4.35 0.02 1 154 . 22 LEU HB2 H 1.62 0.02 1 155 . 22 LEU HB3 H 1.62 0.02 1 156 . 22 LEU C C 177.7 0.1 1 157 . 22 LEU CA C 55.6 0.1 1 158 . 22 LEU CB C 42.4 0.1 1 159 . 22 LEU CG C 27.2 0.1 1 160 . 22 LEU CD1 C 25.3 0.1 2 161 . 22 LEU N N 122.7 0.1 1 162 . 23 GLU H H 8.39 0.01 1 163 . 23 GLU HA H 4.26 0.02 1 164 . 23 GLU HB2 H 2.09 0.02 2 165 . 23 GLU HB3 H 2.00 0.02 2 166 . 23 GLU HG2 H 2.27 0.02 1 167 . 23 GLU HG3 H 2.27 0.02 1 168 . 23 GLU C C 177.3 0.1 1 169 . 23 GLU CA C 57.2 0.1 1 170 . 23 GLU CB C 30.1 0.1 1 171 . 23 GLU CG C 36.5 0.1 1 172 . 23 GLU N N 121.7 0.1 1 173 . 24 GLY H H 8.43 0.01 1 174 . 24 GLY HA2 H 3.95 0.02 2 175 . 24 GLY HA3 H 3.74 0.02 2 176 . 24 GLY C C 174.4 0.1 1 177 . 24 GLY CA C 45.7 0.1 1 178 . 24 GLY N N 110.3 0.1 1 179 . 25 GLN H H 8.12 0.01 1 180 . 25 GLN HA H 4.39 0.02 1 181 . 25 GLN HB2 H 2.20 0.02 2 182 . 25 GLN HB3 H 2.00 0.02 2 183 . 25 GLN HG2 H 2.39 0.02 1 184 . 25 GLN HG3 H 2.39 0.02 1 185 . 25 GLN C C 176.3 0.1 1 186 . 25 GLN CA C 56.0 0.1 1 187 . 25 GLN CB C 29.5 0.1 1 188 . 25 GLN CG C 33.9 0.1 1 189 . 25 GLN N N 120.2 0.1 1 190 . 26 SER H H 8.41 0.01 1 191 . 26 SER HA H 4.52 0.02 1 192 . 26 SER HB2 H 3.90 0.02 1 193 . 26 SER HB3 H 3.90 0.02 1 194 . 26 SER C C 174.4 0.1 1 195 . 26 SER CA C 58.6 0.1 1 196 . 26 SER CB C 64.1 0.1 1 197 . 26 SER N N 117.3 0.1 1 198 . 27 ASP H H 8.36 0.01 1 199 . 27 ASP HA H 4.62 0.02 1 200 . 27 ASP HB2 H 2.78 0.02 1 201 . 27 ASP HB3 H 2.78 0.02 1 202 . 27 ASP C C 176.6 0.1 1 203 . 27 ASP CA C 54.7 0.1 1 204 . 27 ASP CB C 41.3 0.1 1 205 . 27 ASP N N 123.2 0.1 1 206 . 28 GLU H H 8.64 0.01 1 207 . 28 GLU HA H 3.98 0.02 1 208 . 28 GLU HB2 H 2.11 0.02 2 209 . 28 GLU HB3 H 1.94 0.02 2 210 . 28 GLU HG2 H 2.28 0.02 2 211 . 28 GLU HG3 H 2.23 0.02 2 212 . 28 GLU C C 177.6 0.1 1 213 . 28 GLU CA C 59.7 0.1 1 214 . 28 GLU CB C 30.0 0.1 1 215 . 28 GLU CG C 36.8 0.1 1 216 . 28 GLU N N 122.6 0.1 1 217 . 29 ARG H H 8.15 0.01 1 218 . 29 ARG HA H 3.99 0.02 1 219 . 29 ARG HB2 H 2.06 0.02 2 220 . 29 ARG HB3 H 1.95 0.02 2 221 . 29 ARG HG2 H 1.73 0.02 1 222 . 29 ARG HG3 H 1.73 0.02 1 223 . 29 ARG HD2 H 3.28 0.02 1 224 . 29 ARG HD3 H 3.28 0.02 1 225 . 29 ARG HE H 7.45 0.01 1 226 . 29 ARG C C 178.4 0.1 1 227 . 29 ARG CA C 59.1 0.1 1 228 . 29 ARG CB C 29.9 0.1 1 229 . 29 ARG CG C 27.3 0.1 1 230 . 29 ARG CD C 43.3 0.1 1 231 . 29 ARG N N 119.6 0.1 1 232 . 30 ALA H H 8.01 0.01 1 233 . 30 ALA HA H 4.24 0.02 1 234 . 30 ALA HB H 1.51 0.02 1 235 . 30 ALA C C 181.0 0.1 1 236 . 30 ALA CA C 54.9 0.1 1 237 . 30 ALA CB C 18.4 0.1 1 238 . 30 ALA N N 122.3 0.1 1 239 . 31 LEU H H 8.02 0.01 1 240 . 31 LEU HA H 4.05 0.02 1 241 . 31 LEU HB2 H 1.95 0.02 2 242 . 31 LEU HB3 H 1.35 0.02 2 243 . 31 LEU HD1 H 0.87 0.02 2 244 . 31 LEU HD2 H 0.79 0.02 2 245 . 31 LEU C C 179.2 0.1 1 246 . 31 LEU CA C 57.9 0.1 1 247 . 31 LEU CB C 42.4 0.1 1 248 . 31 LEU CG C 26.5 0.1 1 249 . 31 LEU N N 119.7 0.1 1 250 . 32 LEU H H 8.42 0.01 1 251 . 32 LEU HA H 4.04 0.02 1 252 . 32 LEU HB2 H 1.84 0.02 2 253 . 32 LEU HB3 H 1.73 0.02 2 254 . 32 LEU HG H 1.48 0.02 1 255 . 32 LEU HD1 H 0.85 0.02 2 256 . 32 LEU C C 179.9 0.1 1 257 . 32 LEU CA C 58.0 0.1 1 258 . 32 LEU CB C 41.4 0.1 1 259 . 32 LEU N N 121.0 0.1 1 260 . 33 ASP H H 8.27 0.01 1 261 . 33 ASP HA H 4.53 0.02 1 262 . 33 ASP HB2 H 2.88 0.02 2 263 . 33 ASP HB3 H 2.77 0.02 2 264 . 33 ASP C C 179.3 0.1 1 265 . 33 ASP CA C 57.8 0.1 1 266 . 33 ASP CB C 40.4 0.1 1 267 . 33 ASP N N 121.9 0.1 1 268 . 34 GLN H H 8.00 0.01 1 269 . 34 GLN HA H 4.10 0.02 1 270 . 34 GLN HB2 H 2.36 0.02 2 271 . 34 GLN HB3 H 1.99 0.02 2 272 . 34 GLN HG2 H 2.65 0.02 2 273 . 34 GLN HG3 H 2.36 0.02 2 274 . 34 GLN HE21 H 7.22 0.01 2 275 . 34 GLN HE22 H 6.87 0.01 2 276 . 34 GLN C C 179.2 0.1 1 277 . 34 GLN CA C 59.4 0.1 1 278 . 34 GLN CB C 28.9 0.1 1 279 . 34 GLN CG C 34.8 0.1 1 280 . 34 GLN N N 121.0 0.1 1 281 . 34 GLN NE2 N 110.9 0.1 1 282 . 35 LEU H H 8.44 0.01 1 283 . 35 LEU HA H 4.00 0.02 1 284 . 35 LEU HB2 H 2.17 0.02 2 285 . 35 LEU HB3 H 1.52 0.02 2 286 . 35 LEU HG H 1.62 0.02 1 287 . 35 LEU HD1 H 0.87 0.02 2 288 . 35 LEU C C 177.5 0.1 1 289 . 35 LEU CA C 58.2 0.1 1 290 . 35 LEU CB C 41.4 0.1 1 291 . 35 LEU CG C 26.2 0.1 1 292 . 35 LEU N N 121.8 0.1 1 293 . 36 HIS H H 8.50 0.01 1 294 . 36 HIS HA H 4.37 0.02 1 295 . 36 HIS HB2 H 3.52 0.02 2 296 . 36 HIS HB3 H 3.43 0.02 2 297 . 36 HIS C C 178.5 0.1 1 298 . 36 HIS CA C 59.3 0.1 1 299 . 36 HIS CB C 28.9 0.1 1 300 . 36 HIS N N 118.6 0.1 1 301 . 37 THR H H 8.39 0.01 1 302 . 37 THR HA H 3.82 0.02 1 303 . 37 THR HB H 4.24 0.02 1 304 . 37 THR HG2 H 1.25 0.02 1 305 . 37 THR C C 176.3 0.1 1 306 . 37 THR CA C 66.9 0.1 1 307 . 37 THR CB C 68.8 0.1 1 308 . 37 THR CG2 C 22.0 0.1 1 309 . 37 THR N N 118.1 0.1 1 310 . 38 LEU H H 8.04 0.01 1 311 . 38 LEU HA H 4.15 0.02 1 312 . 38 LEU HB2 H 1.84 0.02 2 313 . 38 LEU HB3 H 1.75 0.02 2 314 . 38 LEU HG H 1.67 0.02 1 315 . 38 LEU HD1 H 0.90 0.02 2 316 . 38 LEU HD2 H 0.97 0.02 2 317 . 38 LEU C C 179.7 0.1 1 318 . 38 LEU CA C 58.6 0.1 1 319 . 38 LEU CB C 42.4 0.1 1 320 . 38 LEU CD2 C 26.5 0.1 2 321 . 38 LEU N N 123.3 0.1 1 322 . 39 LEU H H 8.35 0.01 1 323 . 39 LEU HA H 4.01 0.02 1 324 . 39 LEU HB2 H 1.83 0.02 2 325 . 39 LEU HB3 H 1.16 0.02 2 326 . 39 LEU HD1 H 0.68 0.02 2 327 . 39 LEU HD2 H 0.61 0.02 2 328 . 39 LEU C C 178.3 0.1 1 329 . 39 LEU CA C 56.9 0.1 1 330 . 39 LEU CB C 41.4 0.1 1 331 . 39 LEU CG C 23.7 0.1 1 332 . 39 LEU CD1 C 23.3 0.1 2 333 . 39 LEU CD2 C 26.1 0.1 2 334 . 39 LEU N N 116.2 0.1 1 335 . 40 SER H H 7.75 0.01 1 336 . 40 SER HA H 4.29 0.02 1 337 . 40 SER HB2 H 3.91 0.02 2 338 . 40 SER HB3 H 3.86 0.02 2 339 . 40 SER C C 174.3 0.1 1 340 . 40 SER CA C 60.2 0.1 1 341 . 40 SER CB C 63.7 0.1 1 342 . 40 SER N N 113.4 0.1 1 343 . 41 ASN H H 7.40 0.01 1 344 . 41 ASN HA H 4.84 0.02 1 345 . 41 ASN HB2 H 2.99 0.02 2 346 . 41 ASN HB3 H 2.82 0.02 2 347 . 41 ASN HD21 H 7.63 0.01 2 348 . 41 ASN HD22 H 6.98 0.01 2 349 . 41 ASN C C 175.5 0.1 1 350 . 41 ASN CA C 53.4 0.1 1 351 . 41 ASN CB C 39.6 0.1 1 352 . 41 ASN N N 119.9 0.1 1 353 . 41 ASN ND2 N 112.6 0.1 1 354 . 42 THR H H 8.01 0.01 1 355 . 42 THR HA H 4.29 0.02 1 356 . 42 THR HB H 4.23 0.02 1 357 . 42 THR HG2 H 1.28 0.02 1 358 . 42 THR C C 174.9 0.1 1 359 . 42 THR CA C 63.1 0.1 1 360 . 42 THR CB C 69.5 0.1 1 361 . 42 THR CG2 C 21.7 0.1 1 362 . 42 THR N N 117.5 0.1 1 363 . 43 ASP H H 8.37 0.01 1 364 . 43 ASP HA H 4.64 0.02 1 365 . 43 ASP HB2 H 2.78 0.02 2 366 . 43 ASP HB3 H 2.71 0.02 2 367 . 43 ASP C C 176.3 0.1 1 368 . 43 ASP CA C 54.3 0.1 1 369 . 43 ASP CB C 41.5 0.1 1 370 . 43 ASP N N 123.8 0.1 1 371 . 44 ALA H H 8.11 0.01 1 372 . 44 ALA HA H 4.28 0.02 1 373 . 44 ALA HB H 1.45 0.02 1 374 . 44 ALA C C 178.8 0.1 1 375 . 44 ALA CA C 53.7 0.1 1 376 . 44 ALA CB C 19.0 0.1 1 377 . 44 ALA N N 125.2 0.1 1 378 . 45 THR H H 8.37 0.01 1 379 . 45 THR HA H 4.25 0.02 1 380 . 45 THR HB H 4.27 0.02 1 381 . 45 THR HG2 H 1.30 0.02 1 382 . 45 THR C C 176.5 0.1 1 383 . 45 THR CA C 64.1 0.1 1 384 . 45 THR CB C 69.5 0.1 1 385 . 45 THR CG2 C 22.1 0.1 1 386 . 45 THR N N 115.6 0.1 1 387 . 46 GLY H H 8.67 0.01 1 388 . 46 GLY HA2 H 4.02 0.02 2 389 . 46 GLY HA3 H 3.97 0.02 2 390 . 46 GLY C C 175.8 0.1 1 391 . 46 GLY CA C 46.5 0.1 1 392 . 46 GLY N N 111.1 0.1 1 393 . 47 LEU H H 7.81 0.01 1 394 . 47 LEU HA H 4.44 0.02 1 395 . 47 LEU HB2 H 1.83 0.02 2 396 . 47 LEU HB3 H 1.61 0.02 2 397 . 47 LEU HG H 1.73 0.02 1 398 . 47 LEU HD1 H 0.96 0.02 2 399 . 47 LEU C C 178.1 0.1 1 400 . 47 LEU CA C 56.4 0.1 1 401 . 47 LEU CB C 42.2 0.1 1 402 . 47 LEU CD1 C 23.9 0.1 2 403 . 47 LEU N N 120.3 0.1 1 404 . 48 GLU H H 8.31 0.01 1 405 . 48 GLU HA H 4.13 0.02 1 406 . 48 GLU HB2 H 2.17 0.02 2 407 . 48 GLU HB3 H 2.06 0.02 2 408 . 48 GLU HG2 H 2.39 0.02 1 409 . 48 GLU HG3 H 2.39 0.02 1 410 . 48 GLU C C 179.0 0.1 1 411 . 48 GLU CA C 58.7 0.1 1 412 . 48 GLU CB C 29.3 0.1 1 413 . 48 GLU CG C 37.4 0.1 1 414 . 48 GLU N N 120.3 0.1 1 415 . 49 GLU H H 8.28 0.01 1 416 . 49 GLU HA H 4.10 0.02 1 417 . 49 GLU HB2 H 2.16 0.02 2 418 . 49 GLU HB3 H 2.03 0.02 2 419 . 49 GLU HG2 H 2.45 0.02 1 420 . 49 GLU HG3 H 2.45 0.02 1 421 . 49 GLU C C 180.0 0.1 1 422 . 49 GLU CA C 59.5 0.1 1 423 . 49 GLU CB C 29.0 0.1 1 424 . 49 GLU CG C 37.0 0.1 1 425 . 49 GLU N N 118.6 0.1 1 426 . 50 ILE H H 7.60 0.01 1 427 . 50 ILE HA H 3.67 0.02 1 428 . 50 ILE HB H 2.20 0.02 1 429 . 50 ILE HG12 H 1.73 0.02 2 430 . 50 ILE HG13 H 1.07 0.02 2 431 . 50 ILE HG2 H 0.78 0.02 1 432 . 50 ILE HD1 H 0.90 0.02 1 433 . 50 ILE C C 177.1 0.1 1 434 . 50 ILE CA C 64.9 0.1 1 435 . 50 ILE CB C 37.2 0.1 1 436 . 50 ILE CG1 C 29.5 0.1 1 437 . 50 ILE CG2 C 18.5 0.1 1 438 . 50 ILE CD1 C 13.3 0.1 1 439 . 50 ILE N N 122.9 0.1 1 440 . 51 ASP H H 8.76 0.01 1 441 . 51 ASP HA H 4.31 0.02 1 442 . 51 ASP HB2 H 3.19 0.02 2 443 . 51 ASP HB3 H 2.34 0.02 2 444 . 51 ASP C C 179.6 0.1 1 445 . 51 ASP CA C 57.6 0.1 1 446 . 51 ASP CB C 40.2 0.1 1 447 . 51 ASP N N 120.9 0.1 1 448 . 52 ARG H H 8.05 0.01 1 449 . 52 ARG HA H 3.95 0.02 1 450 . 52 ARG HB2 H 1.94 0.02 1 451 . 52 ARG HB3 H 1.94 0.02 1 452 . 52 ARG HG2 H 1.91 0.02 2 453 . 52 ARG HG3 H 1.62 0.02 2 454 . 52 ARG HD2 H 3.30 0.02 2 455 . 52 ARG HD3 H 3.23 0.02 2 456 . 52 ARG HE H 6.99 0.01 1 457 . 52 ARG C C 179.9 0.1 1 458 . 52 ARG CA C 59.8 0.1 1 459 . 52 ARG CB C 30.4 0.1 1 460 . 52 ARG CG C 28.4 0.1 1 461 . 52 ARG CD C 43.6 0.1 1 462 . 52 ARG N N 118.5 0.1 1 463 . 53 ALA H H 8.00 0.01 1 464 . 53 ALA HA H 4.17 0.02 1 465 . 53 ALA HB H 1.56 0.02 1 466 . 53 ALA C C 179.8 0.1 1 467 . 53 ALA CA C 54.9 0.1 1 468 . 53 ALA CB C 18.6 0.1 1 469 . 53 ALA N N 124.7 0.1 1 470 . 54 LEU H H 7.90 0.01 1 471 . 54 LEU HA H 4.29 0.02 1 472 . 54 LEU HB2 H 1.89 0.02 2 473 . 54 LEU HB3 H 1.61 0.02 2 474 . 54 LEU HG H 1.56 0.02 1 475 . 54 LEU HD1 H 0.76 0.02 2 476 . 54 LEU HD2 H 0.79 0.02 2 477 . 54 LEU C C 176.8 0.1 1 478 . 54 LEU CA C 54.8 0.1 1 479 . 54 LEU CB C 43.4 0.1 1 480 . 54 LEU CD1 C 27.3 0.1 2 481 . 54 LEU CD2 C 23.0 0.1 2 482 . 54 LEU N N 116.0 0.1 1 483 . 55 GLY H H 7.83 0.01 1 484 . 55 GLY HA2 H 4.02 0.02 2 485 . 55 GLY HA3 H 3.97 0.02 2 486 . 55 GLY C C 175.3 0.1 1 487 . 55 GLY CA C 45.6 0.1 1 488 . 55 GLY N N 107.9 0.1 1 489 . 56 ILE H H 8.08 0.01 1 490 . 56 ILE HA H 3.74 0.02 1 491 . 56 ILE HB H 1.70 0.02 1 492 . 56 ILE HG12 H 1.32 0.02 2 493 . 56 ILE HG13 H 1.04 0.02 2 494 . 56 ILE HG2 H 0.62 0.02 1 495 . 56 ILE HD1 H 1.02 0.02 1 496 . 56 ILE CA C 65.1 0.1 1 497 . 56 ILE CB C 35.5 0.1 1 498 . 56 ILE CG1 C 29.2 0.1 1 499 . 56 ILE CG2 C 17.7 0.1 1 500 . 56 ILE CD1 C 13.6 0.1 1 501 . 56 ILE N N 119.0 0.1 1 502 . 57 PRO HA H 3.72 0.02 1 503 . 57 PRO HB2 H 1.95 0.02 2 504 . 57 PRO HB3 H 1.75 0.02 2 505 . 57 PRO HG2 H 2.04 0.02 2 506 . 57 PRO HD2 H 3.54 0.02 2 507 . 57 PRO HD3 H 3.17 0.02 2 508 . 57 PRO C C 178.1 0.1 1 509 . 57 PRO CA C 65.8 0.1 1 510 . 57 PRO CB C 30.9 0.1 1 511 . 57 PRO CG C 27.3 0.1 1 512 . 57 PRO CD C 50.03 0.1 1 513 . 58 GLU H H 7.73 0.01 1 514 . 58 GLU HA H 4.17 0.02 1 515 . 58 GLU HB2 H 2.02 0.02 2 516 . 58 GLU HB3 H 1.88 0.02 2 517 . 58 GLU HG2 H 2.38 0.02 2 518 . 58 GLU HG3 H 2.14 0.02 2 519 . 58 GLU C C 178.2 0.1 1 520 . 58 GLU CA C 58.7 0.1 1 521 . 58 GLU CB C 29.4 0.1 1 522 . 58 GLU CG C 36.9 0.1 1 523 . 58 GLU N N 115.9 0.1 1 524 . 59 LEU H H 7.97 0.01 1 525 . 59 LEU HA H 4.14 0.02 1 526 . 59 LEU HB2 H 1.81 0.02 2 527 . 59 LEU HB3 H 1.58 0.02 2 528 . 59 LEU HG H 1.57 0.02 1 529 . 59 LEU HD1 H 0.90 0.02 2 530 . 59 LEU HD2 H 0.85 0.02 2 531 . 59 LEU C C 179.2 0.1 1 532 . 59 LEU CA C 57.2 0.1 1 533 . 59 LEU CB C 42.3 0.1 1 534 . 59 LEU N N 121.5 0.1 1 535 . 60 VAL H H 7.70 0.01 1 536 . 60 VAL HA H 3.91 0.02 1 537 . 60 VAL HB H 2.09 0.02 1 538 . 60 VAL HG1 H 0.92 0.02 2 539 . 60 VAL C C 176.9 0.1 1 540 . 60 VAL CA C 63.9 0.1 1 541 . 60 VAL CB C 32.0 0.1 1 542 . 60 VAL CG1 C 21.6 0.1 1 543 . 60 VAL CG2 C 21.6 0.1 1 544 . 60 VAL N N 116.7 0.1 1 545 . 61 ASN H H 8.03 0.01 1 546 . 61 ASN HA H 4.69 0.02 1 547 . 61 ASN HB2 H 2.88 0.02 2 548 . 61 ASN HB3 H 2.66 0.02 2 549 . 61 ASN C C 175.9 0.1 1 550 . 61 ASN CA C 53.3 0.1 1 551 . 61 ASN CB C 38.9 0.1 1 552 . 61 ASN N N 119.7 0.1 1 553 . 62 GLN H H 8.16 0.01 1 554 . 62 GLN HA H 4.31 0.02 1 555 . 62 GLN HB2 H 2.07 0.02 2 556 . 62 GLN HB3 H 1.94 0.02 2 557 . 62 GLN HG2 H 2.43 0.02 2 558 . 62 GLN HG3 H 2.23 0.02 2 559 . 62 GLN C C 176.9 0.1 1 560 . 62 GLN CA C 56.6 0.1 1 561 . 62 GLN CB C 29.2 0.1 1 562 . 62 GLN CG C 34.0 0.1 1 563 . 62 GLN N N 119.6 0.1 1 564 . 63 GLY H H 8.26 0.01 1 565 . 63 GLY HA2 H 3.97 0.02 1 566 . 63 GLY HA3 H 3.97 0.02 1 567 . 63 GLY C C 174.5 0.1 1 568 . 63 GLY CA C 45.8 0.1 1 569 . 63 GLY N N 109.2 0.1 1 570 . 64 GLN H H 8.21 0.01 1 571 . 64 GLN HA H 4.44 0.02 1 572 . 64 GLN HB2 H 2.22 0.02 2 573 . 64 GLN HB3 H 2.03 0.02 2 574 . 64 GLN HG2 H 2.39 0.02 1 575 . 64 GLN HG3 H 2.39 0.02 1 576 . 64 GLN C C 175.7 0.1 1 577 . 64 GLN CA C 55.9 0.1 1 578 . 64 GLN CB C 29.8 0.1 1 579 . 64 GLN N N 120.2 0.1 1 580 . 65 ALA H H 8.30 0.01 1 581 . 65 ALA HA H 4.33 0.02 1 582 . 65 ALA HB H 1.40 0.02 1 583 . 65 ALA C C 177.4 0.1 1 584 . 65 ALA CA C 52.5 0.1 1 585 . 65 ALA CB C 19.1 0.1 1 586 . 65 ALA N N 125.4 0.1 1 587 . 66 LEU H H 8.16 0.01 1 588 . 66 LEU HA H 4.38 0.02 1 589 . 66 LEU HB2 H 1.62 0.02 1 590 . 66 LEU HB3 H 1.62 0.02 1 591 . 66 LEU HD1 H 0.89 0.02 2 592 . 66 LEU HD2 H 0.90 0.02 2 593 . 66 LEU C C 177.0 0.1 1 594 . 66 LEU CA C 54.9 0.1 1 595 . 66 LEU CB C 42.6 0.1 1 596 . 66 LEU N N 121.8 0.1 1 597 . 67 GLU H H 8.25 0.01 1 598 . 67 GLU HA H 4.59 0.02 1 599 . 67 GLU HB2 H 2.05 0.02 2 600 . 67 GLU HB3 H 1.92 0.02 2 601 . 67 GLU HG2 H 2.27 0.02 1 602 . 67 GLU HG3 H 2.27 0.02 1 603 . 67 GLU CA C 54.3 0.1 1 604 . 67 GLU CB C 30.1 0.1 1 605 . 67 GLU CG C 36.3 0.1 1 606 . 67 GLU N N 123.3 0.1 1 607 . 68 PRO HA H 4.43 0.02 1 608 . 68 PRO HB2 H 2.28 0.02 2 609 . 68 PRO HB3 H 1.89 0.02 2 610 . 68 PRO C C 176.7 0.1 1 611 . 68 PRO CA C 63.0 0.1 1 612 . 68 PRO CB C 32.1 0.1 1 613 . 68 PRO CG C 27.7 0.1 1 614 . 69 LYS H H 8.41 0.01 1 615 . 69 LYS HA H 4.35 0.02 1 616 . 69 LYS HB2 H 1.84 0.02 2 617 . 69 LYS HB3 H 1.78 0.02 2 618 . 69 LYS HG2 H 1.47 0.02 1 619 . 69 LYS HG3 H 1.47 0.02 1 620 . 69 LYS HE2 H 3.13 0.02 1 621 . 69 LYS HE3 H 3.13 0.02 1 622 . 69 LYS C C 176.5 0.1 1 623 . 69 LYS CA C 56.2 0.1 1 624 . 69 LYS CB C 33.4 0.1 1 625 . 69 LYS CG C 24.8 0.1 1 626 . 69 LYS CD C 29.2 0.1 1 627 . 69 LYS CE C 40.2 0.1 1 628 . 69 LYS N N 122.9 0.1 1 629 . 70 GLN H H 8.55 0.01 1 630 . 70 GLN HA H 4.41 0.02 1 631 . 70 GLN HB2 H 2.16 0.02 2 632 . 70 GLN HB3 H 1.97 0.02 2 633 . 70 GLN HG2 H 2.36 0.02 1 634 . 70 GLN HG3 H 2.36 0.02 1 635 . 70 GLN C C 174.7 0.1 1 636 . 70 GLN CA C 56.0 0.1 1 637 . 70 GLN CB C 30.0 0.1 1 638 . 70 GLN N N 123.7 0.1 1 639 . 71 ASP H H 8.08 0.01 1 640 . 71 ASP HA H 4.44 0.02 1 641 . 71 ASP HB2 H 2.65 0.02 2 642 . 71 ASP HB3 H 2.57 0.02 2 643 . 71 ASP CA C 55.8 0.1 1 644 . 71 ASP CB C 42.4 0.1 1 645 . 71 ASP N N 128.2 0.1 1 stop_ save_ save_CBP_cs _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_3 $sample_4 stop_ _Sample_conditions_label $Native_cond _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'CREB binding protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 PRO HA H 4.45 0.02 1 2 . 1 PRO HB2 H 2.50 0.02 2 3 . 1 PRO HB3 H 2.08 0.02 2 4 . 1 PRO HG2 H 2.09 0.02 2 5 . 1 PRO HG3 H 2.08 0.02 2 6 . 1 PRO HD2 H 3.45 0.02 2 7 . 1 PRO CA C 62.3 0.1 1 8 . 1 PRO CB C 32.4 0.1 1 9 . 1 PRO CG C 26.4 0.1 1 10 . 1 PRO CD C 49.2 0.1 1 11 . 2 ASN H H 8.26 0.01 1 12 . 2 ASN HA H 4.79 0.02 1 13 . 2 ASN HB2 H 2.89 0.02 2 14 . 2 ASN HB3 H 2.82 0.02 2 15 . 2 ASN CA C 53.4 0.1 1 16 . 2 ASN CB C 38.9 0.1 1 17 . 3 ARG HA H 4.03 0.02 1 18 . 3 ARG CA C 59.69 0.1 1 19 . 4 SER H H 7.79 0.01 1 20 . 4 SER HA H 4.55 0.02 1 21 . 4 SER HB2 H 3.90 0.02 2 22 . 4 SER HB3 H 3.89 0.02 2 23 . 4 SER C C 174.1 0.1 1 24 . 4 SER CA C 58.2 0.1 1 25 . 4 SER CB C 63.9 0.1 1 26 . 4 SER N N 116.6 0.1 1 27 . 5 ILE H H 8.23 0.01 1 28 . 5 ILE HA H 4.15 0.02 1 29 . 5 ILE HB H 1.77 0.02 1 30 . 5 ILE HG12 H 1.59 0.02 2 31 . 5 ILE HG13 H 1.01 0.02 2 32 . 5 ILE HG2 H 0.91 0.02 1 33 . 5 ILE HD1 H 0.85 0.02 1 34 . 5 ILE C C 175.4 0.1 1 35 . 5 ILE CA C 60.7 0.1 1 36 . 5 ILE CB C 39.4 0.1 1 37 . 5 ILE CG1 C 18.0 0.1 1 38 . 5 ILE CG2 C 18.0 0.1 1 39 . 5 ILE CD1 C 13.6 0.1 1 40 . 5 ILE N N 122.2 0.1 1 41 . 6 SER H H 8.40 0.01 1 42 . 6 SER HA H 4.81 0.02 1 43 . 6 SER HB2 H 4.08 0.02 2 44 . 6 SER HB3 H 3.92 0.02 2 45 . 6 SER CA C 55.6 0.1 1 46 . 6 SER CB C 63.3 0.1 1 47 . 6 SER N N 121.6 0.1 1 48 . 7 PRO HA H 4.32 0.02 1 49 . 7 PRO HB2 H 2.32 0.02 2 50 . 7 PRO HB3 H 2.04 0.02 2 51 . 7 PRO HD2 H 4.10 0.02 2 52 . 7 PRO HD3 H 3.96 0.02 2 53 . 7 PRO C C 178.2 0.1 1 54 . 7 PRO CA C 64.7 0.1 1 55 . 7 PRO CB C 31.7 0.1 1 56 . 7 PRO CD C 51.0 0.1 1 57 . 8 SER H H 8.03 0.01 1 58 . 8 SER HA H 4.30 0.02 1 59 . 8 SER HB2 H 3.96 0.02 2 60 . 8 SER HB3 H 3.89 0.02 2 61 . 8 SER C C 175.8 0.1 1 62 . 8 SER CA C 60.1 0.1 1 63 . 8 SER CB C 62.6 0.1 1 64 . 8 SER N N 113.1 0.1 1 65 . 9 ALA H H 7.78 0.01 1 66 . 9 ALA HA H 4.28 0.02 1 67 . 9 ALA HB H 1.44 0.02 1 68 . 9 ALA C C 179.4 0.1 1 69 . 9 ALA CA C 54.7 0.1 1 70 . 9 ALA CB C 18.7 0.1 1 71 . 9 ALA N N 125.4 0.1 1 72 . 10 LEU H H 7.82 0.01 1 73 . 10 LEU HA H 3.99 0.02 1 74 . 10 LEU HB2 H 1.74 0.02 2 75 . 10 LEU HB3 H 1.70 0.02 2 76 . 10 LEU HG H 1.64 0.02 1 77 . 10 LEU HD1 H 0.95 0.02 2 78 . 10 LEU HD2 H 0.89 0.02 2 79 . 10 LEU C C 178.3 0.1 1 80 . 10 LEU CA C 58.1 0.1 1 81 . 10 LEU CB C 42.0 0.1 1 82 . 10 LEU CG C 27.7 0.1 1 83 . 10 LEU CD1 C 24.8 0.1 2 84 . 10 LEU CD2 C 26.0 0.1 2 85 . 10 LEU N N 117.5 0.1 1 86 . 11 GLN H H 8.22 0.01 1 87 . 11 GLN HA H 3.99 0.02 1 88 . 11 GLN HB2 H 2.24 0.02 2 89 . 11 GLN C C 178.8 0.1 1 90 . 11 GLN CA C 59.3 0.1 1 91 . 11 GLN CB C 28.4 0.1 1 92 . 11 GLN N N 117.7 0.1 1 93 . 12 ASP H H 8.22 0.01 1 94 . 12 ASP HA H 4.47 0.02 1 95 . 12 ASP HB2 H 2.87 0.02 2 96 . 12 ASP HB3 H 2.63 0.02 2 97 . 12 ASP C C 179.4 0.1 1 98 . 12 ASP CA C 57.2 0.1 1 99 . 12 ASP CB C 40.1 0.1 1 100 . 12 ASP N N 120.0 0.1 1 101 . 13 LEU H H 8.55 0.01 1 102 . 13 LEU HA H 4.03 0.02 1 103 . 13 LEU HB2 H 2.23 0.02 2 104 . 13 LEU HB3 H 1.71 0.02 2 105 . 13 LEU HD1 H 0.96 0.02 2 106 . 13 LEU HD2 H 0.89 0.02 2 107 . 13 LEU C C 178.1 0.1 1 108 . 13 LEU CA C 58.3 0.1 1 109 . 13 LEU CB C 41.4 0.1 1 110 . 13 LEU CG C 27.1 0.1 1 111 . 13 LEU CD1 C 24.1 0.1 2 112 . 13 LEU CD2 C 23.0 0.1 2 113 . 13 LEU N N 122.9 0.1 1 114 . 14 LEU H H 8.41 0.01 1 115 . 14 LEU HA H 3.91 0.02 1 116 . 14 LEU HB2 H 1.93 0.02 2 117 . 14 LEU HB3 H 1.53 0.02 2 118 . 14 LEU HD1 H 0.94 0.02 2 119 . 14 LEU HD2 H 0.90 0.02 2 120 . 14 LEU C C 178.4 0.1 1 121 . 14 LEU CA C 58.4 0.1 1 122 . 14 LEU CB C 41.6 0.1 1 123 . 14 LEU CG C 27.3 0.1 1 124 . 14 LEU CD1 C 25.8 0.1 2 125 . 14 LEU CD2 C 24.0 0.1 2 126 . 14 LEU N N 119.1 0.1 1 127 . 15 ARG H H 8.09 0.01 1 128 . 15 ARG HA H 3.97 0.02 1 129 . 15 ARG HB2 H 1.98 0.02 2 130 . 15 ARG HB3 H 2.05 0.02 2 131 . 15 ARG HD2 H 3.26 0.02 2 132 . 15 ARG C C 179.6 0.1 1 133 . 15 ARG CA C 59.3 0.1 1 134 . 15 ARG N N 116.7 0.1 1 135 . 16 THR H H 8.03 0.01 1 136 . 16 THR HA H 3.98 0.02 1 137 . 16 THR HB H 4.19 0.02 1 138 . 16 THR HG1 H 5.08 0.02 1 139 . 16 THR HG2 H 1.29 0.02 1 140 . 16 THR C C 177.4 0.1 1 141 . 16 THR CA C 66.6 0.1 1 142 . 16 THR CB C 68.4 0.1 1 143 . 16 THR CG2 C 23.4 0.1 1 144 . 16 THR N N 115.4 0.1 1 145 . 17 LEU H H 8.50 0.01 1 146 . 17 LEU HA H 4.02 0.02 1 147 . 17 LEU HB2 H 2.01 0.02 2 148 . 17 LEU HB3 H 1.52 0.02 2 149 . 17 LEU HG H 1.88 0.02 1 150 . 17 LEU HD1 H 0.95 0.02 2 151 . 17 LEU HD2 H 0.91 0.02 2 152 . 17 LEU C C 177.5 0.1 1 153 . 17 LEU CA C 57.2 0.1 1 154 . 17 LEU CB C 42.5 0.1 1 155 . 17 LEU CG C 26.9 0.1 1 156 . 17 LEU CD1 C 23.6 0.1 2 157 . 17 LEU CD2 C 26.8 0.1 2 158 . 17 LEU N N 121.9 0.1 1 159 . 18 LYS H H 7.45 0.01 1 160 . 18 LYS HA H 4.32 0.02 1 161 . 18 LYS HB2 H 2.05 0.02 2 162 . 18 LYS HB3 H 1.79 0.02 2 163 . 18 LYS HG2 H 1.70 0.02 2 164 . 18 LYS HG3 H 1.46 0.02 2 165 . 18 LYS HD2 H 1.66 0.02 1 166 . 18 LYS HD3 H 1.66 0.02 1 167 . 18 LYS HE2 H 2.96 0.02 1 168 . 18 LYS HE3 H 2.96 0.02 1 169 . 18 LYS C C 176.7 0.1 1 170 . 18 LYS CA C 56.7 0.1 1 171 . 18 LYS CB C 32.6 0.1 1 172 . 18 LYS CG C 25.5 0.1 1 173 . 18 LYS CD C 29.2 0.1 1 174 . 18 LYS CE C 41.9 0.1 1 175 . 18 LYS N N 116.3 0.1 1 176 . 19 SER H H 7.45 0.01 1 177 . 19 SER HA H 4.77 0.02 1 178 . 19 SER HB2 H 4.11 0.02 2 179 . 19 SER HB3 H 4.03 0.02 2 180 . 19 SER CA C 57.7 0.1 1 181 . 19 SER CB C 62.9 0.1 1 182 . 19 SER N N 117.3 0.1 1 183 . 20 PRO HA H 4.34 0.02 1 184 . 20 PRO HB2 H 2.37 0.02 2 185 . 20 PRO HB3 H 1.87 0.02 2 186 . 20 PRO HG2 H 2.21 0.02 1 187 . 20 PRO HG3 H 2.21 0.02 1 188 . 20 PRO HD2 H 3.64 0.02 2 189 . 20 PRO CA C 63.3 0.1 1 190 . 20 PRO CB C 31.7 0.1 1 191 . 20 PRO CG C 27.4 0.1 1 192 . 20 PRO CD C 50.3 0.1 1 193 . 21 SER HA H 4.28 0.02 1 194 . 21 SER HB2 H 3.91 0.02 2 195 . 21 SER HB3 H 3.83 0.02 2 196 . 21 SER C C 174.9 0.1 1 197 . 21 SER CA C 59.0 0.1 1 198 . 21 SER CB C 63.3 0.1 1 199 . 22 SER H H 7.90 0.01 1 200 . 22 SER HA H 4.92 0.02 1 201 . 22 SER HB2 H 4.26 0.02 2 202 . 22 SER HB3 H 4.13 0.02 2 203 . 22 SER CA C 57.0 0.1 1 204 . 22 SER CB C 63.2 0.1 1 205 . 22 SER N N 119.4 0.1 1 206 . 23 PRO HA H 4.42 0.02 1 207 . 23 PRO HB2 H 2.48 0.02 2 208 . 23 PRO HB3 H 1.98 0.02 2 209 . 23 PRO HG2 H 2.22 0.02 2 210 . 23 PRO HG3 H 2.06 0.02 2 211 . 23 PRO HD2 H 3.93 0.02 2 212 . 23 PRO HD3 H 3.65 0.02 2 213 . 23 PRO C C 179.1 0.1 1 214 . 23 PRO CA C 65.6 0.1 1 215 . 23 PRO CB C 31.6 0.1 1 216 . 23 PRO CG C 27.9 0.1 1 217 . 23 PRO CD C 50.4 0.1 1 218 . 24 GLN H H 8.18 0.01 1 219 . 24 GLN HA H 4.10 0.02 1 220 . 24 GLN N N 116.7 0.1 1 221 . 27 GLN HA H 4.05 0.02 1 222 . 27 GLN CA C 59.7 0.1 1 223 . 28 GLN H H 8.00 0.01 1 224 . 28 GLN HA H 4.15 0.02 1 225 . 28 GLN HB2 H 2.33 0.02 2 226 . 28 GLN HB3 H 2.14 0.02 2 227 . 28 GLN HG2 H 2.54 0.02 2 228 . 28 GLN HG3 H 2.20 0.02 2 229 . 28 GLN HE21 H 7.03 0.01 2 230 . 28 GLN HE22 H 6.53 0.01 2 231 . 28 GLN C C 178.8 0.1 1 232 . 28 GLN CA C 59.1 0.1 1 233 . 28 GLN CB C 28.1 0.1 1 234 . 28 GLN CG C 32.1 0.1 1 235 . 28 GLN N N 123.5 0.1 1 236 . 28 GLN NE2 N 108.0 0.1 1 237 . 29 VAL H H 8.05 0.01 1 238 . 29 VAL HA H 3.35 0.02 1 239 . 29 VAL HB H 2.25 0.02 1 240 . 29 VAL HG1 H 1.01 0.02 1 241 . 29 VAL HG2 H 0.68 0.02 1 242 . 29 VAL C C 177.5 0.1 1 243 . 29 VAL CA C 67.4 0.1 1 244 . 29 VAL CB C 31.3 0.1 1 245 . 29 VAL CG1 C 23.4 0.1 1 246 . 29 VAL CG2 C 21.3 0.1 1 247 . 29 VAL N N 119.1 0.1 1 248 . 30 LEU H H 7.92 0.01 1 249 . 30 LEU HA H 3.75 0.02 1 250 . 30 LEU HB2 H 1.85 0.02 2 251 . 30 LEU HB3 H 1.46 0.02 2 252 . 30 LEU HD1 H 0.96 0.02 2 253 . 30 LEU HD2 H 0.84 0.02 2 254 . 30 LEU C C 178.5 0.1 1 255 . 30 LEU CA C 58.3 0.1 1 256 . 30 LEU CB C 41.3 0.1 1 257 . 30 LEU CG C 27.4 0.1 1 258 . 30 LEU CD1 C 24.2 0.1 2 259 . 30 LEU CD2 C 24.9 0.1 2 260 . 30 LEU N N 118.1 0.1 1 261 . 31 ASN H H 8.37 0.01 1 262 . 31 ASN HA H 4.41 0.02 1 263 . 31 ASN HB2 H 2.95 0.02 2 264 . 31 ASN HB3 H 2.84 0.02 2 265 . 31 ASN HD21 H 7.47 0.01 2 266 . 31 ASN HD22 H 6.88 0.01 2 267 . 31 ASN C C 178.7 0.1 1 268 . 31 ASN CA C 56.0 0.1 1 269 . 31 ASN CB C 38.0 0.1 1 270 . 31 ASN N N 117.1 0.1 1 271 . 31 ASN ND2 N 111.0 0.1 1 272 . 32 ILE H H 8.04 0.01 1 273 . 32 ILE HA H 3.70 0.02 1 274 . 32 ILE HB H 1.91 0.02 1 275 . 32 ILE HG12 H 1.07 0.02 2 276 . 32 ILE HG2 H 0.90 0.02 1 277 . 32 ILE HD1 H 0.77 0.02 1 278 . 32 ILE C C 179.2 0.1 1 279 . 32 ILE CA C 65.4 0.1 1 280 . 32 ILE CB C 38.3 0.1 1 281 . 32 ILE CG1 C 28.8 0.1 1 282 . 32 ILE CG2 C 17.9 0.1 1 283 . 32 ILE CD1 C 14.2 0.1 1 284 . 32 ILE N N 121.8 0.1 1 285 . 33 LEU H H 8.22 0.01 1 286 . 33 LEU HA H 3.90 0.02 1 287 . 33 LEU HB2 H 1.85 0.02 2 288 . 33 LEU HB3 H 1.24 0.02 2 289 . 33 LEU HG H 1.81 0.02 1 290 . 33 LEU HD1 H 0.53 0.02 2 291 . 33 LEU HD2 H 0.07 0.02 2 292 . 33 LEU C C 178.8 0.1 1 293 . 33 LEU CA C 58.3 0.1 1 294 . 33 LEU CB C 41.1 0.1 1 295 . 33 LEU CG C 25.5 0.1 1 296 . 33 LEU CD1 C 22.3 0.1 2 297 . 33 LEU CD2 C 25.8 0.1 2 298 . 33 LEU N N 119.0 0.1 1 299 . 34 LYS H H 8.55 0.01 1 300 . 34 LYS HA H 3.95 0.02 1 301 . 34 LYS HB2 H 1.98 0.02 2 302 . 34 LYS HB3 H 1.88 0.02 2 303 . 34 LYS HG2 H 1.57 0.02 2 304 . 34 LYS HG3 H 1.46 0.02 2 305 . 34 LYS HD2 H 1.61 0.02 2 306 . 34 LYS HD3 H 1.41 0.02 2 307 . 34 LYS CA C 59.2 0.1 1 308 . 34 LYS CB C 32.3 0.1 1 309 . 34 LYS CG C 25.1 0.1 1 310 . 34 LYS CD C 26.0 0.1 1 311 . 34 LYS N N 115.6 0.1 1 312 . 35 SER H H 7.48 0.01 1 313 . 35 SER HA H 4.52 0.02 1 314 . 35 SER HB2 H 4.02 0.02 2 315 . 35 SER C C 173.5 0.1 1 316 . 35 SER CA C 59.2 0.1 1 317 . 35 SER CB C 64.2 0.1 1 318 . 36 ASN H H 7.39 0.01 1 319 . 36 ASN HA H 5.35 0.02 1 320 . 36 ASN HB2 H 2.82 0.02 2 321 . 36 ASN HB3 H 2.61 0.02 2 322 . 36 ASN HD21 H 8.28 0.01 2 323 . 36 ASN HD22 H 7.19 0.01 2 324 . 36 ASN CA C 51.4 0.1 1 325 . 36 ASN CB C 41.3 0.1 1 326 . 36 ASN N N 118.2 0.1 1 327 . 36 ASN ND2 N 116.5 0.1 1 328 . 37 PRO HA H 4.40 0.02 1 329 . 37 PRO HB2 H 2.51 0.02 2 330 . 37 PRO HB3 H 2.07 0.02 2 331 . 37 PRO HD2 H 3.93 0.02 2 332 . 37 PRO HD3 H 3.66 0.02 2 333 . 37 PRO C C 178.9 0.1 1 334 . 37 PRO CA C 65.6 0.1 1 335 . 37 PRO CB C 32.4 0.1 1 336 . 37 PRO CD C 50.4 0.1 1 337 . 38 GLN H H 8.85 0.01 1 338 . 38 GLN HA H 4.27 0.02 1 339 . 38 GLN HB2 H 2.15 0.02 2 340 . 38 GLN HB3 H 2.06 0.02 2 341 . 38 GLN HG2 H 2.50 0.02 2 342 . 38 GLN HG3 H 2.44 0.02 2 343 . 38 GLN HE21 H 7.56 0.01 2 344 . 38 GLN HE22 H 6.89 0.01 2 345 . 38 GLN C C 179.2 0.1 1 346 . 38 GLN CA C 59.0 0.1 1 347 . 38 GLN CB C 28.3 0.1 1 348 . 38 GLN CG C 34.3 0.1 1 349 . 38 GLN N N 117.5 0.1 1 350 . 38 GLN NE2 N 111.7 0.1 1 351 . 39 LEU H H 7.79 0.01 1 352 . 39 LEU HA H 4.52 0.02 1 353 . 39 LEU HB2 H 1.87 0.02 2 354 . 39 LEU HB3 H 1.74 0.02 2 355 . 39 LEU HG H 1.70 0.02 1 356 . 39 LEU HD1 H 1.03 0.02 2 357 . 39 LEU HD2 H 0.91 0.02 2 358 . 39 LEU C C 178.1 0.1 1 359 . 39 LEU CA C 56.9 0.1 1 360 . 39 LEU CB C 41.6 0.1 1 361 . 39 LEU CG C 26.8 0.1 1 362 . 39 LEU CD1 C 27.4 0.1 2 363 . 39 LEU CD2 C 25.1 0.1 2 364 . 39 LEU N N 121.1 0.1 1 365 . 40 MET H H 8.24 0.01 1 366 . 40 MET HA H 4.02 0.02 1 367 . 40 MET HB2 H 2.02 0.02 2 368 . 40 MET HG2 H 2.63 0.02 2 369 . 40 MET HE H 2.00 0.02 1 370 . 40 MET C C 177.6 0.1 1 371 . 40 MET CA C 59.7 0.1 1 372 . 40 MET CB C 32.2 0.1 1 373 . 40 MET CG C 32.1 0.1 1 374 . 40 MET CE C 17.7 0.1 1 375 . 40 MET N N 119.0 0.1 1 376 . 41 ALA H H 8.11 0.01 1 377 . 41 ALA HA H 4.12 0.02 1 378 . 41 ALA HB H 1.55 0.02 1 379 . 41 ALA C C 180.1 0.1 1 380 . 41 ALA CA C 55.2 0.1 1 381 . 41 ALA CB C 17.9 0.1 1 382 . 41 ALA N N 119.2 0.1 1 383 . 42 ALA H H 7.57 0.01 1 384 . 42 ALA HA H 4.19 0.02 1 385 . 42 ALA HB H 1.55 0.02 1 386 . 42 ALA C C 179.4 0.1 1 387 . 42 ALA CA C 54.9 0.1 1 388 . 42 ALA CB C 18.0 0.1 1 389 . 42 ALA N N 120.3 0.1 1 390 . 43 PHE H H 8.62 0.01 1 391 . 43 PHE HA H 3.88 0.02 1 392 . 43 PHE HB2 H 3.47 0.02 2 393 . 43 PHE HB3 H 2.97 0.02 2 394 . 43 PHE HD1 H 6.94 0.02 1 395 . 43 PHE HD2 H 6.94 0.02 1 396 . 43 PHE HE1 H 7.20 0.02 1 397 . 43 PHE HE2 H 7.20 0.02 1 398 . 43 PHE HZ H 7.19 0.02 1 399 . 43 PHE C C 177.3 0.1 1 400 . 43 PHE CA C 61.7 0.1 1 401 . 43 PHE CB C 40.5 0.1 1 402 . 43 PHE CD1 C 131.4 0.1 1 403 . 43 PHE CD2 C 131.4 0.1 1 404 . 43 PHE CE1 C 131.0 0.1 1 405 . 43 PHE CE2 C 131.0 0.1 1 406 . 43 PHE CZ C 129.5 0.1 1 407 . 43 PHE N N 119.7 0.1 1 408 . 44 ILE H H 8.74 0.01 1 409 . 44 ILE HA H 3.58 0.02 1 410 . 44 ILE HB H 1.99 0.02 1 411 . 44 ILE HG12 H 2.05 0.02 2 412 . 44 ILE HG13 H 1.12 0.02 2 413 . 44 ILE HG2 H 0.89 0.02 1 414 . 44 ILE HD1 H 0.98 0.02 1 415 . 44 ILE C C 179.1 0.1 1 416 . 44 ILE CA C 65.9 0.1 1 417 . 44 ILE CB C 38.1 0.1 1 418 . 44 ILE CG1 C 30.0 0.1 1 419 . 44 ILE CG2 C 17.2 0.1 1 420 . 44 ILE CD1 C 13.6 0.1 1 421 . 44 ILE N N 117.9 0.1 1 422 . 45 LYS H H 8.18 0.01 1 423 . 45 LYS HA H 3.71 0.02 1 424 . 45 LYS HB2 H 2.27 0.02 2 425 . 45 LYS HB3 H 1.94 0.02 2 426 . 45 LYS C C 178.2 0.1 1 427 . 45 LYS CA C 59.4 0.1 1 428 . 45 LYS CB C 27.8 0.1 1 429 . 45 LYS N N 120.8 0.1 1 430 . 46 GLN H H 7.88 0.01 1 431 . 46 GLN HA H 3.94 0.02 1 432 . 46 GLN HB2 H 2.17 0.02 1 433 . 46 GLN HB3 H 2.17 0.02 1 434 . 46 GLN HE21 H 6.72 0.01 2 435 . 46 GLN HE22 H 7.26 0.01 2 436 . 46 GLN C C 178.8 0.1 1 437 . 46 GLN CA C 58.3 0.1 1 438 . 46 GLN CB C 28.3 0.1 1 439 . 46 GLN N N 117.1 0.1 1 440 . 46 GLN NE2 N 110.7 0.1 1 441 . 47 ARG H H 8.15 0.01 1 442 . 47 ARG HA H 4.05 0.02 1 443 . 47 ARG HB2 H 2.02 0.02 2 444 . 47 ARG HB3 H 1.77 0.02 2 445 . 47 ARG HG2 H 1.50 0.02 2 446 . 47 ARG HG3 H 1.36 0.02 2 447 . 47 ARG HD2 H 3.03 0.02 2 448 . 47 ARG HD3 H 2.65 0.02 2 449 . 47 ARG HE H 9.62 0.01 1 450 . 47 ARG C C 178.8 0.1 1 451 . 47 ARG CA C 55.6 0.1 1 452 . 47 ARG CB C 28.5 0.1 1 453 . 47 ARG CG C 23.9 0.1 1 454 . 47 ARG CD C 39.8 0.1 1 455 . 47 ARG N N 116.2 0.1 1 456 . 48 THR H H 8.24 0.01 1 457 . 48 THR HA H 3.88 0.02 1 458 . 48 THR HB H 4.25 0.02 1 459 . 48 THR HG2 H 1.26 0.02 1 460 . 48 THR C C 175.8 0.1 1 461 . 48 THR CA C 66.4 0.1 1 462 . 48 THR CB C 68.9 0.1 1 463 . 48 THR CG2 C 21.8 0.1 1 464 . 48 THR N N 112.7 0.1 1 465 . 49 ALA H H 7.30 0.01 1 466 . 49 ALA HA H 4.16 0.02 1 467 . 49 ALA HB H 1.49 0.02 1 468 . 49 ALA C C 179.1 0.1 1 469 . 49 ALA CA C 54.4 0.1 1 470 . 49 ALA CB C 18.3 0.1 1 471 . 49 ALA N N 121.6 0.1 1 472 . 50 LYS H H 7.50 0.01 1 473 . 50 LYS HA H 4.09 0.02 1 474 . 50 LYS HB2 H 1.76 0.02 2 475 . 50 LYS HG2 H 1.28 0.02 2 476 . 50 LYS HG3 H 1.19 0.02 2 477 . 50 LYS HD2 H 1.77 0.02 2 478 . 50 LYS HD3 H 1.71 0.02 2 479 . 50 LYS HE2 H 2.90 0.02 1 480 . 50 LYS HE3 H 2.90 0.02 1 481 . 50 LYS C C 177.2 0.1 1 482 . 50 LYS CA C 56.9 0.1 1 483 . 50 LYS CB C 28.5 0.1 1 484 . 50 LYS CG C 24.2 0.1 1 485 . 50 LYS CD C 31.7 0.1 1 486 . 50 LYS CE C 42.0 0.1 1 487 . 50 LYS N N 116.2 0.1 1 488 . 51 TYR H H 7.68 0.01 1 489 . 51 TYR HA H 4.35 0.02 1 490 . 51 TYR HB2 H 3.17 0.02 2 491 . 51 TYR HB3 H 2.85 0.02 2 492 . 51 TYR HD1 H 7.20 0.02 1 493 . 51 TYR HD2 H 7.20 0.02 1 494 . 51 TYR HE1 H 6.77 0.02 1 495 . 51 TYR HE2 H 6.77 0.02 1 496 . 51 TYR C C 176.6 0.1 1 497 . 51 TYR CA C 59.6 0.1 1 498 . 51 TYR CB C 39.3 0.1 1 499 . 51 TYR CD1 C 132.9 0.1 1 500 . 51 TYR CD2 C 132.9 0.1 1 501 . 51 TYR CE1 C 118.9 0.1 1 502 . 51 TYR CE2 C 118.9 0.1 1 503 . 51 TYR N N 117.7 0.1 1 504 . 52 VAL H H 7.70 0.01 1 505 . 52 VAL HA H 4.00 0.02 1 506 . 52 VAL HB H 2.14 0.02 1 507 . 52 VAL HG1 H 0.97 0.02 2 508 . 52 VAL HG2 H 1.00 0.02 2 509 . 52 VAL C C 176.0 0.1 1 510 . 52 VAL CA C 67.4 0.1 1 511 . 52 VAL CB C 32.7 0.1 1 512 . 52 VAL CG1 C 21.2 0.1 2 513 . 52 VAL CG2 C 21.0 0.1 2 514 . 52 VAL N N 118.2 0.1 1 515 . 53 ALA H H 7.93 0.01 1 516 . 53 ALA HA H 4.31 0.02 1 517 . 53 ALA HB H 1.43 0.02 1 518 . 53 ALA C C 177.5 0.1 1 519 . 53 ALA CA C 52.7 0.1 1 520 . 53 ALA CB C 19.0 0.1 1 521 . 53 ALA N N 124.5 0.1 1 522 . 54 ASN H H 8.01 0.01 1 523 . 54 ASN HA H 4.71 0.02 1 524 . 54 ASN HB2 H 2.83 0.02 2 525 . 54 ASN HB3 H 2.75 0.02 2 526 . 54 ASN C C 174.8 0.1 1 527 . 54 ASN CA C 53.0 0.1 1 528 . 54 ASN CB C 39.0 0.1 1 529 . 54 ASN N N 116.6 0.1 1 530 . 55 GLN H H 8.02 0.01 1 531 . 55 GLN HA H 4.64 0.02 1 532 . 55 GLN HB2 H 2.13 0.02 2 533 . 55 GLN HB3 H 1.98 0.02 2 534 . 55 GLN HG2 H 2.41 0.02 1 535 . 55 GLN HG3 H 2.41 0.02 1 536 . 55 GLN CA C 53.7 0.1 1 537 . 55 GLN CB C 28.9 0.1 1 538 . 55 GLN CG C 33.6 0.1 1 539 . 55 GLN N N 120.9 0.1 1 540 . 56 PRO HA H 4.44 0.02 1 541 . 56 PRO HB2 H 1.97 0.02 2 542 . 56 PRO HG2 H 2.09 0.02 2 543 . 56 PRO HD2 H 3.81 0.02 2 544 . 56 PRO HD3 H 3.70 0.02 2 545 . 56 PRO C C 177.6 0.1 1 546 . 56 PRO CA C 63.5 0.1 1 547 . 56 PRO CB C 32.0 0.1 1 548 . 56 PRO CG C 27.3 0.1 1 549 . 56 PRO CD C 50.6 0.1 1 550 . 57 GLY H H 8.44 0.01 1 551 . 57 GLY HA2 H 3.99 0.02 2 552 . 57 GLY C C 174.2 0.1 1 553 . 57 GLY CA C 45.2 0.1 1 554 . 57 GLY N N 108.8 0.1 1 555 . 58 MET H H 8.01 0.01 1 556 . 58 MET HA H 4.45 0.02 1 557 . 58 MET HB2 H 2.17 0.02 2 558 . 58 MET HB3 H 2.04 0.02 2 559 . 58 MET HE H 2.12 0.02 1 560 . 58 MET C C 175.4 0.1 1 561 . 58 MET CA C 55.9 0.1 1 562 . 58 MET CE C 17.0 0.1 1 563 . 58 MET N N 119.6 0.1 1 564 . 59 GLN H H 7.88 0.01 1 565 . 59 GLN HA H 4.54 0.02 1 566 . 59 GLN HB2 H 2.56 0.02 2 567 . 59 GLN HG2 H 2.34 0.02 2 568 . 59 GLN HE21 H 6.84 0.01 2 569 . 59 GLN HE22 H 7.51 0.01 2 570 . 59 GLN CA C 55.3 0.1 1 571 . 59 GLN N N 125.7 0.1 1 stop_ save_