data_6098 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N chemical shift assignments for the amino terminal domain of the transcriptional cofactor PC4 ; _BMRB_accession_number 6098 _BMRB_flat_file_name bmr6098.str _Entry_type original _Submission_date 2004-02-13 _Accession_date 2004-02-13 _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 Jonker Henry . . 2 Folkers Gert . . 3 Wechselberger Rainer . . 4 Boelens Rolf . . 5 Kaptein Rob . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 217 "13C chemical shifts" 492 "15N chemical shifts" 159 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-06-25 original author . stop_ _Original_release_date 2004-06-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural and functional studies on transcriptional activation - Interactions of the cofactor PC4 and activator VP16 ; _Citation_status published _Citation_type thesis _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jonker Henry . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Thesis_institution 'Utrecht University' _Thesis_institution_city Utrecht _Thesis_institution_country 'The Netherlands' _Page_first . _Page_last . _Year 2003 _Details . loop_ _Keyword 'PC4 cofactor VP16 activator transcription' stop_ save_ ################################## # Molecular system description # ################################## save_system_PC4 _Saveframe_category molecular_system _Mol_system_name PC4ntd _Abbreviation_common PC4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PC4ntd, 1' $PC4 'PC4ctd, 2' $PC4 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'PC4ntd, 1' 1 'PC4ctd, 2' stop_ _Database_query_date . _Details 'Dimeric and higher order for full length PC4.' save_ ######################## # Monomeric polymers # ######################## save_PC4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'positive cofactor 4' _Abbreviation_common PC4 _Molecular_mass 14264 _Mol_thiol_state 'not present' _Details ; The amino terminal domain is flexible and unstructured and the carboxy terminal domain is well structured. The amino terminal domain contains a lysine rich region in between two serine rich regions. ; ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; PKSKELVSSSSSGSDSDSEV DKKLKRKKQVAPEKPVKKQK TGETSRALSSSKQSSSSRDD NMFQIGKMRYVSVRDFKGKV LIDIREYWMDPEGEMKPGRK GISLNPEQWSQLKEQISDID DAVRKL ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 LYS 3 SER 4 LYS 5 GLU 6 LEU 7 VAL 8 SER 9 SER 10 SER 11 SER 12 SER 13 GLY 14 SER 15 ASP 16 SER 17 ASP 18 SER 19 GLU 20 VAL 21 ASP 22 LYS 23 LYS 24 LEU 25 LYS 26 ARG 27 LYS 28 LYS 29 GLN 30 VAL 31 ALA 32 PRO 33 GLU 34 LYS 35 PRO 36 VAL 37 LYS 38 LYS 39 GLN 40 LYS 41 THR 42 GLY 43 GLU 44 THR 45 SER 46 ARG 47 ALA 48 LEU 49 SER 50 SER 51 SER 52 LYS 53 GLN 54 SER 55 SER 56 SER 57 SER 58 ARG 59 ASP 60 ASP 61 ASN 62 MET 63 PHE 64 GLN 65 ILE 66 GLY 67 LYS 68 MET 69 ARG 70 TYR 71 VAL 72 SER 73 VAL 74 ARG 75 ASP 76 PHE 77 LYS 78 GLY 79 LYS 80 VAL 81 LEU 82 ILE 83 ASP 84 ILE 85 ARG 86 GLU 87 TYR 88 TRP 89 MET 90 ASP 91 PRO 92 GLU 93 GLY 94 GLU 95 MET 96 LYS 97 PRO 98 GLY 99 ARG 100 LYS 101 GLY 102 ILE 103 SER 104 LEU 105 ASN 106 PRO 107 GLU 108 GLN 109 TRP 110 SER 111 GLN 112 LEU 113 LYS 114 GLU 115 GLN 116 ILE 117 SER 118 ASP 119 ILE 120 ASP 121 ASP 122 ALA 123 VAL 124 ARG 125 LYS 126 LEU 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 PDB 1PCF "Human Transcriptional Coactivator Pc4 C-Terminal Domain" 51.59 66 100.00 100.00 3.29e-39 PDB 2C62 "Crystal Structure Of The Human Transcription Cofactor Pc4 In Complex With Single-Stranded Dna" 51.59 66 100.00 100.00 3.29e-39 PDB 2PHE "Model For Vp16 Binding To Pc4" 51.59 66 100.00 100.00 3.29e-39 DBJ BAD92522 "activated RNA polymerase II transcription cofactor 4 variant [Homo sapiens]" 100.00 134 100.00 100.00 2.38e-81 DBJ BAE00374 "unnamed protein product [Macaca fascicularis]" 100.00 127 100.00 100.00 2.84e-81 DBJ BAE87869 "unnamed protein product [Macaca fascicularis]" 100.00 127 100.00 100.00 2.84e-81 DBJ BAE91489 "unnamed protein product [Macaca fascicularis]" 100.00 127 100.00 100.00 2.84e-81 DBJ BAG10763 "activated RNA polymerase II transcriptional coactivator p15 [synthetic construct]" 100.00 127 100.00 100.00 2.84e-81 EMBL CAA56200 "PC4, p15 [Homo sapiens]" 100.00 127 100.00 100.00 2.84e-81 EMBL CAG33183 "PC4 [Homo sapiens]" 100.00 127 100.00 100.00 2.84e-81 EMBL CAH92686 "hypothetical protein [Pongo abelii]" 100.00 127 100.00 100.00 2.84e-81 GB AAA20980 "PC4 [Homo sapiens]" 100.00 127 100.00 100.00 2.84e-81 GB AAH09610 "SUB1 homolog (S. cerevisiae) [Homo sapiens]" 100.00 127 99.21 99.21 1.41e-80 GB AAH10537 "SUB1 homolog (S. cerevisiae) [Homo sapiens]" 100.00 127 100.00 100.00 2.84e-81 GB AAH18189 "SUB1 homolog (S. cerevisiae) [Homo sapiens]" 100.00 127 100.00 100.00 2.84e-81 GB AAH22339 "SUB1 homolog (S. cerevisiae) [Homo sapiens]" 100.00 127 100.00 100.00 2.84e-81 REF NP_001098877 "activated RNA polymerase II transcriptional coactivator p15 [Bos taurus]" 100.00 127 99.21 99.21 2.10e-80 REF NP_001126574 "activated RNA polymerase II transcriptional coactivator p15 [Pongo abelii]" 100.00 127 100.00 100.00 2.84e-81 REF NP_001248140 "activated RNA polymerase II transcriptional coactivator p15 [Macaca mulatta]" 100.00 127 100.00 100.00 2.84e-81 REF NP_001272042 "activated RNA polymerase II transcriptional coactivator p15 [Macaca fascicularis]" 100.00 127 100.00 100.00 2.84e-81 REF NP_006704 "activated RNA polymerase II transcriptional coactivator p15 [Homo sapiens]" 100.00 127 100.00 100.00 2.84e-81 SP P53999 "RecName: Full=Activated RNA polymerase II transcriptional coactivator p15; AltName: Full=Positive cofactor 4; Short=PC4; AltNam" 100.00 127 100.00 100.00 2.84e-81 SP Q4R947 "RecName: Full=Activated RNA polymerase II transcriptional coactivator p15; AltName: Full=SUB1 homolog [Macaca fascicularis]" 100.00 127 100.00 100.00 2.84e-81 SP Q5R6D0 "RecName: Full=Activated RNA polymerase II transcriptional coactivator p15; AltName: Full=SUB1 homolog [Pongo abelii]" 100.00 127 100.00 100.00 2.84e-81 TPG DAA17835 "TPA: activated RNA polymerase II transcription cofactor 4 [Bos taurus]" 100.00 127 99.21 99.21 2.10e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PC4 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 $PC4 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_PC4_298K_LS _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $PC4 . mM 0.5 1 '[U-13C; U-15N]' KCl 50 mM . . . KHxPO4 50 mM . . . D5-Glycin 2 M . . . 'Protease Inhibitor cocktail' . mM . . . stop_ save_ save_sample_PC4_305K_HS _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $PC4 . mM 0.5 1 '[U-13C; U-15N]' KCl 400 mM . . . KHxPO4 50 mM . . . D5-Glycin 2 M . . . 'Protease Inhibitor cocktail' . mM . . . stop_ save_ save_sample_PC4_P _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $PC4 . mM 0.5 1 '[U-13C; U-15N]' KCl 400 mM . . . KHxPO4 50 mM . . . D5-Glycin 2 M . . . 'Protease Inhibitor cocktail' . mM . . . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3 loop_ _Task analyses assignment stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_(1H,15N)-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (1H,15N)-HSQC' _Sample_label . save_ save_3D_NOESY_(1H,15N)_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NOESY (1H,15N) HSQC' _Sample_label . save_ save_3D_TOCSY_(1H,15N)_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TOCSY (1H,15N) HSQC' _Sample_label . save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label . save_ ####################### # Sample conditions # ####################### save_condition_PC4_298K_LS _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.6 0.1 n/a temperature 298 1 K stop_ save_ save_condition_PC4_305K_HS _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.6 0.1 n/a temperature 305 1 K stop_ save_ save_condition_PC4_P _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.6 0.1 n/a temperature 305 1 K 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 _Reference_correction_type H2O H 1 protons ppm 4.7 internal direct . internal . 1.0 temperature H2O N 15 protons ppm 4.7 internal indirect . . . 0.101329118 temperature H2O C 13 protons ppm 4.7 internal indirect . . . 0.251449530 temperature 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_chemical_shift_PC4_298K_LS _Saveframe_category assigned_chemical_shifts _Details ; The successive serines 9,10,11 and 55,56,57 could not be unambiguously assigned due to overlap. Titration experiments, relaxation studies and phosphorylation suggest the reported assignments. The distinction between the two regions is clear, but there is ambiguity within both regions. ; loop_ _Sample_label $sample_PC4_298K_LS stop_ _Sample_conditions_label $condition_PC4_298K_LS _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'PC4ntd, 1' _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 . 2 LYS CA C 56.8 . 1 2 . 2 LYS HA H 4.26 . 1 3 . 2 LYS C C 176.5 . 1 4 . 2 LYS CB C 33.2 . 1 5 . 3 SER H H 8.46 . 1 6 . 3 SER N N 117.9 . 1 7 . 3 SER CA C 58.5 . 1 8 . 3 SER HA H 4.34 . 1 9 . 3 SER C C 174.6 . 1 10 . 3 SER CB C 63.9 . 1 11 . 4 LYS H H 8.43 . 1 12 . 4 LYS N N 123.4 . 1 13 . 4 LYS CA C 56.6 . 1 14 . 4 LYS HA H 4.21 . 1 15 . 4 LYS C C 176.5 . 1 16 . 4 LYS CB C 33 . 1 17 . 5 GLU H H 8.34 . 1 18 . 5 GLU N N 121.7 . 1 19 . 5 GLU CA C 56.5 . 1 20 . 5 GLU HA H 4.18 . 1 21 . 5 GLU C C 176.2 . 1 22 . 5 GLU CB C 30.2 . 1 23 . 6 LEU H H 8.21 . 1 24 . 6 LEU N N 123.4 . 1 25 . 6 LEU CA C 55.2 . 1 26 . 6 LEU HA H 4.29 . 1 27 . 6 LEU C C 177.2 . 1 28 . 6 LEU CB C 42.4 . 1 29 . 7 VAL H H 8.08 . 1 30 . 7 VAL N N 121.2 . 1 31 . 7 VAL CA C 62.4 . 1 32 . 7 VAL HA H 4.07 . 1 33 . 7 VAL C C 176.1 . 1 34 . 7 VAL CB C 33 . 1 35 . 8 SER H H 8.4 . 1 36 . 8 SER N N 119.7 . 1 37 . 8 SER CA C 58.3 . 1 38 . 8 SER HA H 4.43 . 1 39 . 8 SER C C 174.7 . 1 40 . 8 SER CB C 64 . 1 41 . 9 SER H H 8.41 . 5 42 . 9 SER N N 118.4 . 5 43 . 9 SER CA C 58.5 . 5 44 . 9 SER HA H 4.44 . 5 45 . 9 SER C C 174.7 . 5 46 . 9 SER CB C 64 . 5 47 . 10 SER H H 8.37 . 5 48 . 10 SER N N 117.7 . 5 49 . 10 SER CA C 58.6 . 5 50 . 10 SER HA H 4.46 . 5 51 . 10 SER C C 174.7 . 5 52 . 10 SER CB C 64 . 5 53 . 11 SER H H 8.35 . 5 54 . 11 SER N N 118 . 5 55 . 11 SER CA C 58.6 . 5 56 . 11 SER HA H 4.45 . 5 57 . 11 SER C C 174.7 . 5 58 . 11 SER CB C 64 . 5 59 . 12 SER H H 8.37 . 1 60 . 12 SER N N 118 . 1 61 . 12 SER CA C 58.7 . 1 62 . 12 SER HA H 4.44 . 1 63 . 12 SER C C 175 . 1 64 . 12 SER CB C 64 . 1 65 . 13 GLY H H 8.4 . 1 66 . 13 GLY N N 111.1 . 1 67 . 13 GLY CA C 45.6 . 1 68 . 13 GLY HA2 H 3.95 . 1 69 . 13 GLY HA3 H 3.95 . 1 70 . 13 GLY C C 174.3 . 1 71 . 14 SER H H 8.25 . 1 72 . 14 SER N N 115.8 . 1 73 . 14 SER CA C 58.4 . 1 74 . 14 SER HA H 4.41 . 1 75 . 14 SER C C 174.5 . 1 76 . 14 SER CB C 64.1 . 1 77 . 15 ASP H H 8.45 . 1 78 . 15 ASP N N 122.6 . 1 79 . 15 ASP CA C 54.6 . 1 80 . 15 ASP HA H 4.58 . 1 81 . 15 ASP C C 176.4 . 1 82 . 15 ASP CB C 41.2 . 1 83 . 16 SER H H 8.23 . 1 84 . 16 SER N N 115.9 . 1 85 . 16 SER CA C 58.9 . 1 86 . 16 SER HA H 4.34 . 1 87 . 16 SER C C 174.6 . 1 88 . 16 SER CB C 64 . 1 89 . 17 ASP H H 8.34 . 1 90 . 17 ASP N N 122.5 . 1 91 . 17 ASP CA C 54.8 . 1 92 . 17 ASP HA H 4.57 . 1 93 . 17 ASP C C 176.5 . 1 94 . 17 ASP CB C 41.2 . 1 95 . 18 SER H H 8.27 . 1 96 . 18 SER N N 116.2 . 1 97 . 18 SER CA C 59.2 . 1 98 . 18 SER HA H 4.33 . 1 99 . 18 SER C C 175.1 . 1 100 . 18 SER CB C 63.9 . 1 101 . 19 GLU H H 8.38 . 1 102 . 19 GLU N N 122.5 . 1 103 . 19 GLU CA C 57.4 . 1 104 . 19 GLU HA H 4.18 . 1 105 . 19 GLU C C 177.3 . 1 106 . 19 GLU CB C 29.9 . 1 107 . 20 VAL H H 7.92 . 1 108 . 20 VAL N N 120.1 . 1 109 . 20 VAL CA C 63.9 . 1 110 . 20 VAL HA H 3.84 . 1 111 . 20 VAL C C 176.5 . 1 112 . 20 VAL CB C 32.6 . 1 113 . 21 ASP H H 8.15 . 1 114 . 21 ASP N N 122.1 . 1 115 . 21 ASP CA C 55.3 . 1 116 . 21 ASP HA H 4.44 . 1 117 . 21 ASP C C 177.2 . 1 118 . 21 ASP CB C 41.1 . 1 119 . 22 LYS H H 8.09 . 1 120 . 22 LYS N N 121.2 . 1 121 . 22 LYS CA C 57.9 . 1 122 . 22 LYS HA H 4.04 . 1 123 . 22 LYS C C 177.7 . 1 124 . 22 LYS CB C 32.7 . 1 125 . 23 LYS H H 8.1 . 1 126 . 23 LYS N N 119.9 . 1 127 . 23 LYS CA C 57.7 . 1 128 . 23 LYS HA H 4.08 . 1 129 . 23 LYS C C 177.4 . 1 130 . 23 LYS CB C 32.5 . 1 131 . 24 LEU H H 7.9 . 1 132 . 24 LEU N N 120.9 . 1 133 . 24 LEU CA C 55.9 . 1 134 . 24 LEU HA H 4.17 . 1 135 . 24 LEU C C 177.7 . 1 136 . 24 LEU CB C 42.2 . 1 137 . 25 LYS H H 8.04 . 1 138 . 25 LYS N N 121 . 1 139 . 25 LYS CA C 56.9 . 1 140 . 25 LYS HA H 4.12 . 1 141 . 25 LYS C C 176.8 . 1 142 . 25 LYS CB C 32.7 . 1 143 . 26 ARG H H 8.05 . 1 144 . 26 ARG N N 121.1 . 1 145 . 26 ARG CA C 56.4 . 1 146 . 26 ARG HA H 4.21 . 1 147 . 26 ARG C C 176.4 . 1 148 . 26 ARG CB C 30.9 . 1 149 . 27 LYS H H 8.2 . 1 150 . 27 LYS N N 122.4 . 1 151 . 27 LYS CA C 56.5 . 1 152 . 27 LYS HA H 4.18 . 1 153 . 27 LYS C C 176.5 . 1 154 . 27 LYS CB C 33.2 . 1 155 . 28 LYS H H 8.24 . 1 156 . 28 LYS N N 122.6 . 1 157 . 28 LYS CA C 56.4 . 1 158 . 28 LYS HA H 4.18 . 1 159 . 28 LYS C C 176.3 . 1 160 . 28 LYS CB C 33.2 . 1 161 . 29 GLN H H 8.35 . 1 162 . 29 GLN N N 122.4 . 1 163 . 29 GLN CA C 55.9 . 1 164 . 29 GLN HA H 4.27 . 1 165 . 29 GLN C C 175.7 . 1 166 . 29 GLN CB C 29.7 . 1 167 . 30 VAL H H 8.18 . 1 168 . 30 VAL N N 122.1 . 1 169 . 30 VAL CA C 62.2 . 1 170 . 30 VAL HA H 4.03 . 1 171 . 30 VAL C C 175.4 . 1 172 . 30 VAL CB C 33.1 . 1 173 . 31 ALA H H 8.35 . 1 174 . 31 ALA N N 129.1 . 1 175 . 31 ALA CA C 50.4 . 1 176 . 31 ALA HA H 4.53 . 1 177 . 31 ALA C C 175.2 . 1 178 . 31 ALA CB C 18.4 . 1 179 . 32 PRO CA C 62.9 . 1 180 . 32 PRO HA H 4.33 . 1 181 . 32 PRO C C 176.8 . 1 182 . 32 PRO CB C 32.2 . 1 183 . 33 GLU H H 8.44 . 1 184 . 33 GLU N N 121.5 . 1 185 . 33 GLU CA C 56.4 . 1 186 . 33 GLU HA H 4.15 . 1 187 . 33 GLU C C 176.2 . 1 188 . 33 GLU CB C 30.4 . 1 189 . 34 LYS H H 8.31 . 1 190 . 34 LYS N N 123.7 . 1 191 . 34 LYS CA C 54.2 . 1 192 . 34 LYS HA H 4.51 . 1 193 . 34 LYS C C 174.3 . 1 194 . 34 LYS CB C 32.6 . 1 195 . 35 PRO CA C 63 . 1 196 . 35 PRO HA H 4.36 . 1 197 . 35 PRO C C 176.8 . 1 198 . 35 PRO CB C 32.2 . 1 199 . 36 VAL H H 8.22 . 1 200 . 36 VAL N N 121.1 . 1 201 . 36 VAL CA C 62.4 . 1 202 . 36 VAL HA H 3.99 . 1 203 . 36 VAL C C 176.1 . 1 204 . 36 VAL CB C 33.1 . 1 205 . 37 LYS H H 8.35 . 1 206 . 37 LYS N N 125.7 . 1 207 . 37 LYS CA C 56.3 . 1 208 . 37 LYS HA H 4.24 . 1 209 . 37 LYS C C 176.2 . 1 210 . 37 LYS CB C 33.4 . 1 211 . 38 LYS H H 8.36 . 1 212 . 38 LYS N N 123.7 . 1 213 . 38 LYS CA C 56.4 . 1 214 . 38 LYS HA H 4.22 . 1 215 . 38 LYS C C 176.3 . 1 216 . 38 LYS CB C 33.3 . 1 217 . 39 GLN H H 8.42 . 1 218 . 39 GLN N N 122.3 . 1 219 . 39 GLN CA C 55.9 . 1 220 . 39 GLN HA H 4.25 . 1 221 . 39 GLN C C 175.9 . 1 222 . 39 GLN CB C 29.9 . 1 223 . 40 LYS H H 8.5 . 1 224 . 40 LYS N N 123.5 . 1 225 . 40 LYS CA C 56.4 . 1 226 . 40 LYS HA H 4.31 . 1 227 . 40 LYS C C 176.7 . 1 228 . 40 LYS CB C 33.1 . 1 229 . 41 THR H H 8.23 . 1 230 . 41 THR N N 115.8 . 1 231 . 41 THR CA C 62.3 . 1 232 . 41 THR HA H 4.28 . 1 233 . 41 THR C C 175.1 . 1 234 . 41 THR CB C 70 . 1 235 . 42 GLY H H 8.48 . 1 236 . 42 GLY N N 111.4 . 1 237 . 42 GLY CA C 45.5 . 1 238 . 42 GLY HA2 H 3.91 . 1 239 . 42 GLY HA3 H 3.91 . 1 240 . 42 GLY C C 174.2 . 1 241 . 43 GLU H H 8.26 . 1 242 . 43 GLU N N 120.8 . 1 243 . 43 GLU CA C 56.6 . 1 244 . 43 GLU HA H 4.29 . 1 245 . 43 GLU C C 176.9 . 1 246 . 43 GLU CB C 30.5 . 1 247 . 44 THR H H 8.27 . 1 248 . 44 THR N N 115.4 . 1 249 . 44 THR CA C 62.3 . 1 250 . 44 THR HA H 4.28 . 1 251 . 44 THR C C 174.7 . 1 252 . 44 THR CB C 70 . 1 253 . 45 SER H H 8.35 . 1 254 . 45 SER N N 118.3 . 1 255 . 45 SER CA C 58.7 . 1 256 . 45 SER HA H 4.36 . 1 257 . 45 SER C C 174.7 . 1 258 . 45 SER CB C 63.9 . 1 259 . 46 ARG H H 8.32 . 1 260 . 46 ARG N N 123.4 . 1 261 . 46 ARG CA C 56.4 . 1 262 . 46 ARG HA H 4.24 . 1 263 . 46 ARG C C 176.1 . 1 264 . 46 ARG CB C 30.8 . 1 265 . 47 ALA H H 8.23 . 1 266 . 47 ALA N N 124.8 . 1 267 . 47 ALA CA C 52.8 . 1 268 . 47 ALA HA H 4.21 . 1 269 . 47 ALA C C 177.8 . 1 270 . 47 ALA CB C 19.2 . 1 271 . 48 LEU H H 8.16 . 1 272 . 48 LEU N N 121.3 . 1 273 . 48 LEU CA C 55.3 . 1 274 . 48 LEU HA H 4.27 . 1 275 . 48 LEU C C 177.7 . 1 276 . 48 LEU CB C 42.5 . 1 277 . 49 SER H H 8.25 . 1 278 . 49 SER N N 116.4 . 1 279 . 49 SER CA C 58.6 . 1 280 . 49 SER HA H 4.38 . 1 281 . 49 SER C C 174.8 . 1 282 . 49 SER CB C 63.9 . 1 283 . 50 SER H H 8.31 . 1 284 . 50 SER N N 117.7 . 1 285 . 50 SER CA C 58.7 . 1 286 . 50 SER HA H 4.42 . 1 287 . 50 SER C C 174.8 . 1 288 . 50 SER CB C 63.9 . 1 289 . 51 SER H H 8.29 . 1 290 . 51 SER N N 117.9 . 1 291 . 51 SER CA C 58.8 . 1 292 . 51 SER HA H 4.39 . 1 293 . 51 SER C C 174.6 . 1 294 . 51 SER CB C 63.9 . 1 295 . 52 LYS H H 8.25 . 1 296 . 52 LYS N N 123 . 1 297 . 52 LYS CA C 56.6 . 1 298 . 52 LYS HA H 4.24 . 1 299 . 52 LYS C C 176.6 . 1 300 . 52 LYS CB C 33 . 1 301 . 53 GLN H H 8.32 . 1 302 . 53 GLN N N 121.3 . 1 303 . 53 GLN CA C 56.2 . 1 304 . 53 GLN HA H 4.27 . 1 305 . 53 GLN C C 176.1 . 1 306 . 53 GLN CB C 29.6 . 1 307 . 54 SER H H 8.36 . 1 308 . 54 SER N N 117.3 . 1 309 . 54 SER CA C 58.5 . 1 310 . 54 SER HA H 4.41 . 1 311 . 54 SER C C 174.7 . 1 312 . 54 SER CB C 64.1 . 1 313 . 55 SER H H 8.41 . 5 314 . 55 SER N N 118.1 . 5 315 . 55 SER CA C 58.6 . 5 316 . 55 SER HA H 4.43 . 5 317 . 55 SER C C 174.6 . 5 318 . 55 SER CB C 64 . 5 319 . 56 SER H H 8.35 . 5 320 . 56 SER N N 117.8 . 5 321 . 56 SER CA C 58.6 . 5 322 . 56 SER HA H 4.42 . 5 323 . 56 SER C C 174.6 . 5 324 . 56 SER CB C 64 . 5 325 . 57 SER H H 8.31 . 5 326 . 57 SER N N 118.1 . 5 327 . 57 SER CA C 58.7 . 5 328 . 57 SER HA H 4.36 . 5 329 . 57 SER C C 174.5 . 5 330 . 57 SER CB C 63.9 . 5 stop_ loop_ _Atom_shift_assign_ID_ambiguity 53 '47,41' '54,48,42' '55,49,43' '56,50,44' '57,51,45' '58,52,46' '325,319,313' '326,320,314' '327,321,315' '328,322,316' '329,323,317' '330,324,318' stop_ save_ save_chemical_shift_PC4_305K_HS _Saveframe_category assigned_chemical_shifts _Details ; The successive serines 9,10,11 and 55,56,57 could not be unambiguously assigned due to overlap. Titration experiments, relaxation studies and phosphorylation suggest the reported assignments. The distinction between the two regions is clear, but there is ambiguity within both regions. ; loop_ _Sample_label $sample_PC4_305K_HS stop_ _Sample_conditions_label $condition_PC4_305K_HS _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'PC4ntd, 1' _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 . 2 LYS CA C 56.6 . 1 2 . 2 LYS C C 176.4 . 1 3 . 2 LYS CB C 33.1 . 1 4 . 3 SER H H 8.39 . 1 5 . 3 SER N N 117.6 . 1 6 . 3 SER CA C 58.4 . 1 7 . 3 SER C C 174.6 . 1 8 . 3 SER CB C 63.9 . 1 9 . 4 LYS H H 8.36 . 1 10 . 4 LYS N N 123.3 . 1 11 . 4 LYS CA C 56.5 . 1 12 . 4 LYS C C 176.4 . 1 13 . 4 LYS CB C 32.9 . 1 14 . 5 GLU H H 8.28 . 1 15 . 5 GLU N N 121.3 . 1 16 . 5 GLU CA C 56.4 . 1 17 . 5 GLU C C 176.2 . 1 18 . 5 GLU CB C 30.1 . 1 19 . 6 LEU H H 8.13 . 1 20 . 6 LEU N N 123.1 . 1 21 . 6 LEU CA C 55.1 . 1 22 . 6 LEU C C 177.2 . 1 23 . 6 LEU CB C 42.3 . 1 24 . 7 VAL H H 8 . 1 25 . 7 VAL N N 120.8 . 1 26 . 7 VAL CA C 62.3 . 1 27 . 7 VAL C C 176.1 . 1 28 . 7 VAL CB C 32.8 . 1 29 . 8 SER H H 8.33 . 1 30 . 8 SER N N 119.3 . 1 31 . 8 SER CA C 58.2 . 1 32 . 8 SER C C 174.7 . 1 33 . 8 SER CB C 64 . 1 34 . 9 SER H H 8.34 . 5 35 . 9 SER N N 118.1 . 5 36 . 9 SER CA C 58.3 . 5 37 . 9 SER C C 174.7 . 5 38 . 9 SER CB C 64 . 5 39 . 10 SER H H 8.32 . 5 40 . 10 SER N N 117.6 . 5 41 . 10 SER CA C 58.4 . 5 42 . 10 SER C C 174.6 . 5 43 . 10 SER CB C 63.9 . 5 44 . 11 SER H H 8.3 . 5 45 . 11 SER N N 117.8 . 5 46 . 11 SER CA C 58.4 . 5 47 . 11 SER C C 174.7 . 5 48 . 11 SER CB C 64 . 5 49 . 12 SER H H 8.32 . 1 50 . 12 SER N N 117.8 . 1 51 . 12 SER CA C 58.5 . 1 52 . 12 SER C C 175 . 1 53 . 12 SER CB C 64 . 1 54 . 13 GLY H H 8.35 . 1 55 . 13 GLY N N 110.9 . 1 56 . 13 GLY CA C 45.5 . 1 57 . 13 GLY C C 174.2 . 1 58 . 14 SER H H 8.2 . 1 59 . 14 SER N N 115.7 . 1 60 . 14 SER CA C 58.2 . 1 61 . 14 SER C C 174.5 . 1 62 . 14 SER CB C 64.1 . 1 63 . 15 ASP H H 8.41 . 1 64 . 15 ASP N N 122.4 . 1 65 . 15 ASP CA C 54.5 . 1 66 . 15 ASP C C 176.3 . 1 67 . 15 ASP CB C 41.1 . 1 68 . 16 SER H H 8.18 . 1 69 . 16 SER N N 115.7 . 1 70 . 16 SER CA C 58.7 . 1 71 . 16 SER C C 174.5 . 1 72 . 16 SER CB C 63.9 . 1 73 . 17 ASP H H 8.3 . 1 74 . 17 ASP N N 122.4 . 1 75 . 17 ASP CA C 54.7 . 1 76 . 17 ASP C C 176.4 . 1 77 . 17 ASP CB C 41.1 . 1 78 . 18 SER H H 8.19 . 1 79 . 18 SER N N 115.9 . 1 80 . 18 SER CA C 58.8 . 1 81 . 18 SER C C 174.9 . 1 82 . 18 SER CB C 63.9 . 1 83 . 19 GLU H H 8.34 . 1 84 . 19 GLU N N 122.4 . 1 85 . 19 GLU CA C 57 . 1 86 . 19 GLU C C 177 . 1 87 . 19 GLU CB C 29.8 . 1 88 . 20 VAL H H 7.89 . 1 89 . 20 VAL N N 119.8 . 1 90 . 20 VAL CA C 63.5 . 1 91 . 20 VAL C C 176.2 . 1 92 . 20 VAL CB C 32.6 . 1 93 . 21 ASP H H 8.16 . 1 94 . 21 ASP N N 122.3 . 1 95 . 21 ASP CA C 54.9 . 1 96 . 21 ASP C C 176.9 . 1 97 . 21 ASP CB C 41 . 1 98 . 22 LYS H H 8.05 . 1 99 . 22 LYS N N 121.3 . 1 100 . 22 LYS CA C 57.6 . 1 101 . 22 LYS C C 177.4 . 1 102 . 22 LYS CB C 32.7 . 1 103 . 23 LYS H H 8.1 . 1 104 . 23 LYS N N 120.2 . 1 105 . 23 LYS CA C 57.4 . 1 106 . 23 LYS C C 177.2 . 1 107 . 23 LYS CB C 32.5 . 1 108 . 24 LEU H H 7.9 . 1 109 . 24 LEU N N 121.2 . 1 110 . 24 LEU CA C 55.6 . 1 111 . 24 LEU C C 177.6 . 1 112 . 24 LEU CB C 42.1 . 1 113 . 25 LYS H H 8.03 . 1 114 . 25 LYS N N 121 . 1 115 . 25 LYS CA C 56.5 . 1 116 . 25 LYS C C 176.7 . 1 117 . 25 LYS CB C 32.7 . 1 118 . 26 ARG H H 8.03 . 1 119 . 26 ARG N N 121.1 . 1 120 . 26 ARG CA C 56.3 . 1 121 . 26 ARG C C 176.3 . 1 122 . 26 ARG CB C 30.8 . 1 123 . 27 LYS H H 8.15 . 1 124 . 27 LYS N N 122.2 . 1 125 . 27 LYS CA C 56.4 . 1 126 . 27 LYS C C 176.5 . 1 127 . 27 LYS CB C 33 . 1 128 . 28 LYS H H 8.18 . 1 129 . 28 LYS N N 122.3 . 1 130 . 28 LYS CA C 56.4 . 1 131 . 28 LYS C C 176.3 . 1 132 . 28 LYS CB C 33 . 1 133 . 29 GLN H H 8.28 . 1 134 . 29 GLN N N 122 . 1 135 . 29 GLN CA C 55.8 . 1 136 . 29 GLN C C 175.6 . 1 137 . 29 GLN CB C 29.6 . 1 138 . 30 VAL H H 8.09 . 1 139 . 30 VAL N N 121.6 . 1 140 . 30 VAL CA C 62 . 1 141 . 30 VAL C C 175.3 . 1 142 . 30 VAL CB C 32.9 . 1 143 . 31 ALA H H 8.28 . 1 144 . 31 ALA N N 128.8 . 1 145 . 31 ALA CA C 50.3 . 1 146 . 31 ALA CB C 18.4 . 1 147 . 32 PRO CA C 62.8 . 1 148 . 32 PRO C C 176.8 . 1 149 . 32 PRO CB C 32.1 . 1 150 . 33 GLU H H 8.37 . 1 151 . 33 GLU N N 121 . 1 152 . 33 GLU CA C 56.4 . 1 153 . 33 GLU C C 176.2 . 1 154 . 33 GLU CB C 30.3 . 1 155 . 34 LYS H H 8.21 . 1 156 . 34 LYS N N 123.2 . 1 157 . 34 LYS CA C 54 . 1 158 . 34 LYS CB C 32.6 . 1 159 . 35 PRO CA C 62.9 . 1 160 . 35 PRO C C 176.8 . 1 161 . 35 PRO CB C 32.2 . 1 162 . 36 VAL H H 8.14 . 1 163 . 36 VAL N N 120.7 . 1 164 . 36 VAL CA C 62.3 . 1 165 . 36 VAL C C 176.1 . 1 166 . 36 VAL CB C 32.9 . 1 167 . 37 LYS H H 8.27 . 1 168 . 37 LYS N N 125.2 . 1 169 . 37 LYS CA C 56.2 . 1 170 . 37 LYS C C 176.2 . 1 171 . 37 LYS CB C 33.1 . 1 172 . 38 LYS H H 8.27 . 1 173 . 38 LYS N N 123.2 . 1 174 . 38 LYS CA C 56.3 . 1 175 . 38 LYS C C 176.3 . 1 176 . 38 LYS CB C 33.1 . 1 177 . 39 GLN H H 8.33 . 1 178 . 39 GLN N N 121.9 . 1 179 . 39 GLN CA C 55.9 . 1 180 . 39 GLN C C 175.8 . 1 181 . 39 GLN CB C 29.7 . 1 182 . 40 LYS H H 8.41 . 1 183 . 40 LYS N N 123.1 . 1 184 . 40 LYS CA C 56.3 . 1 185 . 40 LYS C C 176.7 . 1 186 . 40 LYS CB C 33 . 1 187 . 41 THR H H 8.16 . 1 188 . 41 THR N N 115.3 . 1 189 . 41 THR CA C 62.2 . 1 190 . 41 THR C C 175.1 . 1 191 . 41 THR CB C 69.9 . 1 192 . 42 GLY H H 8.41 . 1 193 . 42 GLY N N 111.2 . 1 194 . 42 GLY CA C 45.4 . 1 195 . 42 GLY C C 174.1 . 1 196 . 43 GLU H H 8.22 . 1 197 . 43 GLU N N 120.7 . 1 198 . 43 GLU CA C 56.5 . 1 199 . 43 GLU C C 176.9 . 1 200 . 43 GLU CB C 30.3 . 1 201 . 44 THR H H 8.2 . 1 202 . 44 THR N N 115 . 1 203 . 44 THR CA C 62.2 . 1 204 . 44 THR C C 174.7 . 1 205 . 44 THR CB C 69.9 . 1 206 . 45 SER H H 8.29 . 1 207 . 45 SER N N 118.2 . 1 208 . 45 SER CA C 58.5 . 1 209 . 45 SER C C 174.7 . 1 210 . 45 SER CB C 63.8 . 1 211 . 46 ARG H H 8.26 . 1 212 . 46 ARG N N 123.1 . 1 213 . 46 ARG CA C 56.3 . 1 214 . 46 ARG C C 176.1 . 1 215 . 46 ARG CB C 30.7 . 1 216 . 47 ALA H H 8.17 . 1 217 . 47 ALA N N 124.6 . 1 218 . 47 ALA CA C 52.6 . 1 219 . 47 ALA C C 177.8 . 1 220 . 47 ALA CB C 19.2 . 1 221 . 48 LEU H H 8.08 . 1 222 . 48 LEU N N 121 . 1 223 . 48 LEU CA C 55.1 . 1 224 . 48 LEU C C 177.7 . 1 225 . 48 LEU CB C 42.3 . 1 226 . 49 SER H H 8.18 . 1 227 . 49 SER N N 116.1 . 1 228 . 49 SER CA C 58.5 . 1 229 . 49 SER C C 174.8 . 1 230 . 49 SER CB C 63.9 . 1 231 . 50 SER H H 8.24 . 1 232 . 50 SER N N 117.5 . 1 233 . 50 SER CA C 58.5 . 1 234 . 50 SER C C 174.8 . 1 235 . 50 SER CB C 63.9 . 1 236 . 51 SER H H 8.24 . 1 237 . 51 SER N N 117.7 . 1 238 . 51 SER CA C 58.5 . 1 239 . 51 SER C C 174.6 . 1 240 . 51 SER CB C 63.9 . 1 241 . 52 LYS H H 8.19 . 1 242 . 52 LYS N N 122.8 . 1 243 . 52 LYS CA C 56.4 . 1 244 . 52 LYS C C 176.6 . 1 245 . 52 LYS CB C 32.9 . 1 246 . 53 GLN H H 8.25 . 1 247 . 53 GLN N N 121 . 1 248 . 53 GLN CA C 56.1 . 1 249 . 53 GLN C C 176 . 1 250 . 53 GLN CB C 29.5 . 1 251 . 54 SER H H 8.29 . 1 252 . 54 SER N N 116.9 . 1 253 . 54 SER CA C 58.3 . 1 254 . 54 SER C C 174.6 . 1 255 . 54 SER CB C 64 . 1 256 . 55 SER H H 8.35 . 5 257 . 55 SER N N 117.9 . 5 258 . 55 SER CA C 58.3 . 5 259 . 55 SER C C 174.6 . 5 260 . 55 SER CB C 64 . 5 261 . 56 SER H H 8.3 . 5 262 . 56 SER N N 117.6 . 5 263 . 56 SER CA C 58.4 . 5 264 . 56 SER C C 174.6 . 5 265 . 56 SER CB C 63.9 . 5 266 . 57 SER H H 8.26 . 5 267 . 57 SER N N 117.8 . 5 268 . 57 SER CA C 58.4 . 5 269 . 57 SER CB C 63.9 . 5 stop_ loop_ _Atom_shift_assign_ID_ambiguity 44 '39,34' '45,40,35' '46,41,36' '47,42,37' '48,43,38' '266,261,256' '267,262,257' '268,263,258' '264,259' '269,265,260' stop_ save_ save_chemical_shift_PC4_P _Saveframe_category assigned_chemical_shifts _Details ; The successive serines 9,10,11 and 55,56,57 could not be unambiguously assigned due to overlap. Titration experiments, relaxation studies and phosphorylation suggest the reported assignments. The distinction between the two regions is clear, but there is ambiguity within both regions. ; loop_ _Sample_label $sample_PC4_P stop_ _Sample_conditions_label $condition_PC4_P _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'PC4ntd, 1' _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 . 2 LYS CA C 56.7 . 1 2 . 2 LYS C C 176.4 . 1 3 . 2 LYS CB C 33.2 . 1 4 . 3 SER H H 8.39 . 1 5 . 3 SER N N 117.6 . 1 6 . 3 SER CA C 58.3 . 1 7 . 3 SER C C 174.6 . 1 8 . 3 SER CB C 64 . 1 9 . 4 LYS H H 8.35 . 1 10 . 4 LYS N N 123.3 . 1 11 . 4 LYS CA C 56.6 . 1 12 . 4 LYS C C 176.4 . 1 13 . 4 LYS CB C 33 . 1 14 . 5 GLU H H 8.31 . 1 15 . 5 GLU N N 121.1 . 1 16 . 5 GLU CA C 56.5 . 1 17 . 5 GLU C C 176.1 . 1 18 . 5 GLU CB C 30.1 . 1 19 . 6 LEU H H 8.07 . 1 20 . 6 LEU N N 122.4 . 1 21 . 6 LEU CA C 55 . 1 22 . 6 LEU C C 176.8 . 1 23 . 6 LEU CB C 42.3 . 1 24 . 7 VAL H H 7.96 . 1 25 . 7 VAL N N 120.4 . 1 26 . 7 VAL CA C 61.8 . 1 27 . 7 VAL C C 175.9 . 1 28 . 7 VAL CB C 33.3 . 1 29 . 8 SER H H 8.64 . 1 30 . 8 SER N N 119.7 . 1 31 . 8 SER CA C 57 . 1 32 . 8 SER C C 173.8 . 1 33 . 8 SER CB C 66.8 . 1 34 . 9 SER H H 8.55 . 5 35 . 9 SER N N 117.3 . 5 36 . 9 SER CA C 57.1 . 5 37 . 9 SER C C 173.8 . 5 38 . 9 SER CB C 66.8 . 5 39 . 10 SER H H 8.59 . 5 40 . 10 SER N N 117.6 . 5 41 . 10 SER CA C 57.1 . 5 42 . 10 SER C C 173.8 . 5 43 . 10 SER CB C 66.8 . 5 44 . 11 SER H H 8.58 . 5 45 . 11 SER N N 117.7 . 5 46 . 11 SER CA C 57.3 . 5 47 . 11 SER C C 174 . 5 48 . 11 SER CB C 66.8 . 5 49 . 12 SER H H 8.7 . 1 50 . 12 SER N N 117.9 . 1 51 . 12 SER CA C 57.6 . 1 52 . 12 SER C C 174.4 . 1 53 . 12 SER CB C 66.8 . 1 54 . 13 GLY H H 8.31 . 1 55 . 13 GLY N N 110.7 . 1 56 . 13 GLY CA C 45.5 . 1 57 . 13 GLY C C 174 . 1 58 . 14 SER H H 8.45 . 1 59 . 14 SER N N 115.4 . 1 60 . 14 SER CA C 56.9 . 1 61 . 14 SER C C 173.7 . 1 62 . 14 SER CB C 66.9 . 1 63 . 15 ASP H H 8.47 . 1 64 . 15 ASP N N 122.4 . 1 65 . 15 ASP CA C 54.3 . 1 66 . 15 ASP C C 176.1 . 1 67 . 15 ASP CB C 41.3 . 1 68 . 16 SER H H 8.52 . 1 69 . 16 SER N N 116.4 . 1 70 . 16 SER CA C 57.3 . 1 71 . 16 SER C C 173.8 . 1 72 . 16 SER CB C 66.7 . 1 73 . 17 ASP H H 8.39 . 1 74 . 17 ASP N N 122.6 . 1 75 . 17 ASP CA C 54.6 . 1 76 . 17 ASP C C 176.4 . 1 77 . 17 ASP CB C 41.3 . 1 78 . 18 SER H H 8.59 . 1 79 . 18 SER N N 116.8 . 1 80 . 18 SER CA C 58.1 . 1 81 . 18 SER C C 174.5 . 1 82 . 18 SER CB C 66.4 . 1 83 . 19 GLU H H 8.32 . 1 84 . 19 GLU N N 121.9 . 1 85 . 19 GLU CA C 56.7 . 1 86 . 19 GLU C C 176.9 . 1 87 . 19 GLU CB C 29.8 . 1 88 . 20 VAL H H 7.85 . 1 89 . 20 VAL N N 120.2 . 1 90 . 20 VAL CA C 63.6 . 1 91 . 20 VAL C C 176.3 . 1 92 . 20 VAL CB C 32.6 . 1 93 . 21 ASP H H 8.25 . 1 94 . 21 ASP N N 122 . 1 95 . 21 ASP CA C 55 . 1 96 . 21 ASP C C 176.9 . 1 97 . 21 ASP CB C 41 . 1 98 . 22 LYS H H 8.06 . 1 99 . 22 LYS N N 121.2 . 1 100 . 22 LYS CA C 57.8 . 1 101 . 22 LYS C C 177.5 . 1 102 . 22 LYS CB C 32.8 . 1 103 . 23 LYS H H 8.11 . 1 104 . 23 LYS N N 120 . 1 105 . 23 LYS CA C 57.6 . 1 106 . 23 LYS C C 177.3 . 1 107 . 23 LYS CB C 32.6 . 1 108 . 24 LEU H H 7.89 . 1 109 . 24 LEU N N 120.9 . 1 110 . 24 LEU CA C 55.6 . 1 111 . 24 LEU C C 177.7 . 1 112 . 24 LEU CB C 42.2 . 1 113 . 25 LYS H H 8 . 1 114 . 25 LYS N N 120.8 . 1 115 . 25 LYS CA C 56.7 . 1 116 . 25 LYS C C 176.8 . 1 117 . 25 LYS CB C 32.8 . 1 118 . 26 ARG H H 8.02 . 1 119 . 26 ARG N N 120.9 . 1 120 . 26 ARG CA C 56.3 . 1 121 . 26 ARG C C 176.4 . 1 122 . 26 ARG CB C 30.9 . 1 123 . 27 LYS H H 8.14 . 1 124 . 27 LYS N N 122 . 1 125 . 27 LYS CA C 56.5 . 1 126 . 27 LYS C C 176.5 . 1 127 . 27 LYS CB C 33.1 . 1 128 . 28 LYS H H 8.17 . 1 129 . 28 LYS N N 122.1 . 1 130 . 28 LYS CA C 56.4 . 1 131 . 28 LYS C C 176.3 . 1 132 . 28 LYS CB C 33.1 . 1 133 . 29 GLN H H 8.27 . 1 134 . 29 GLN N N 121.9 . 1 135 . 29 GLN CA C 55.7 . 1 136 . 29 GLN C C 175.6 . 1 137 . 29 GLN CB C 29.6 . 1 138 . 30 VAL H H 8.08 . 1 139 . 30 VAL N N 121.5 . 1 140 . 30 VAL CA C 62 . 1 141 . 30 VAL C C 175.3 . 1 142 . 30 VAL CB C 32.9 . 1 143 . 31 ALA H H 8.28 . 1 144 . 31 ALA N N 128.8 . 1 145 . 31 ALA CA C 50.4 . 1 146 . 31 ALA CB C 18.6 . 1 147 . 32 PRO CA C 62.8 . 1 148 . 32 PRO C C 176.8 . 1 149 . 32 PRO CB C 32.2 . 1 150 . 33 GLU H H 8.37 . 1 151 . 33 GLU N N 121 . 1 152 . 33 GLU CA C 56.5 . 1 153 . 33 GLU C C 176.2 . 1 154 . 33 GLU CB C 30.3 . 1 155 . 34 LYS H H 8.2 . 1 156 . 34 LYS N N 123.2 . 1 157 . 34 LYS CA C 54 . 1 158 . 34 LYS CB C 32.7 . 1 159 . 35 PRO CA C 62.8 . 1 160 . 35 PRO C C 176.8 . 1 161 . 35 PRO CB C 32.3 . 1 162 . 36 VAL H H 8.14 . 1 163 . 36 VAL N N 120.7 . 1 164 . 36 VAL CA C 62.4 . 1 165 . 36 VAL C C 176.1 . 1 166 . 36 VAL CB C 32.9 . 1 167 . 37 LYS H H 8.28 . 1 168 . 37 LYS N N 125.3 . 1 169 . 37 LYS CA C 56.3 . 1 170 . 37 LYS C C 176.2 . 1 171 . 37 LYS CB C 33.3 . 1 172 . 38 LYS H H 8.27 . 1 173 . 38 LYS N N 123.2 . 1 174 . 38 LYS CA C 56.4 . 1 175 . 38 LYS C C 176.3 . 1 176 . 38 LYS CB C 33.2 . 1 177 . 39 GLN H H 8.34 . 1 178 . 39 GLN N N 122 . 1 179 . 39 GLN CA C 55.9 . 1 180 . 39 GLN C C 175.8 . 1 181 . 39 GLN CB C 29.8 . 1 182 . 40 LYS H H 8.42 . 1 183 . 40 LYS N N 123.2 . 1 184 . 40 LYS CA C 56.4 . 1 185 . 40 LYS C C 176.7 . 1 186 . 40 LYS CB C 33 . 1 187 . 41 THR H H 8.16 . 1 188 . 41 THR N N 115.3 . 1 189 . 41 THR CA C 62.1 . 1 190 . 41 THR C C 175.1 . 1 191 . 41 THR CB C 70 . 1 192 . 42 GLY H H 8.41 . 1 193 . 42 GLY N N 111.2 . 1 194 . 42 GLY CA C 45.4 . 1 195 . 42 GLY C C 174.1 . 1 196 . 43 GLU H H 8.22 . 1 197 . 43 GLU N N 120.7 . 1 198 . 43 GLU CA C 56.5 . 1 199 . 43 GLU C C 176.8 . 1 200 . 43 GLU CB C 30.4 . 1 201 . 44 THR H H 8.2 . 1 202 . 44 THR N N 115.1 . 1 203 . 44 THR CA C 62.1 . 1 204 . 44 THR C C 174.7 . 1 205 . 44 THR CB C 69.9 . 1 206 . 45 SER H H 8.29 . 1 207 . 45 SER N N 118.2 . 1 208 . 45 SER CA C 58.5 . 1 209 . 45 SER C C 174.7 . 1 210 . 45 SER CB C 63.8 . 1 211 . 46 ARG H H 8.26 . 1 212 . 46 ARG N N 123.1 . 1 213 . 46 ARG CA C 56.4 . 1 214 . 46 ARG C C 176.1 . 1 215 . 46 ARG CB C 30.8 . 1 216 . 47 ALA H H 8.18 . 1 217 . 47 ALA N N 124.6 . 1 218 . 47 ALA CA C 52.6 . 1 219 . 47 ALA C C 177.8 . 1 220 . 47 ALA CB C 19.2 . 1 221 . 48 LEU H H 8.08 . 1 222 . 48 LEU N N 121.1 . 1 223 . 48 LEU CA C 55.1 . 1 224 . 48 LEU C C 177.7 . 1 225 . 48 LEU CB C 42.4 . 1 226 . 49 SER H H 8.18 . 1 227 . 49 SER N N 116.1 . 1 228 . 49 SER CA C 58.5 . 1 229 . 49 SER C C 174.7 . 1 230 . 49 SER CB C 63.9 . 1 231 . 50 SER H H 8.24 . 1 232 . 50 SER N N 117.5 . 1 233 . 50 SER CA C 58.5 . 1 234 . 50 SER C C 174.8 . 1 235 . 50 SER CB C 63.9 . 1 236 . 51 SER H H 8.25 . 1 237 . 51 SER N N 117.7 . 1 238 . 51 SER CA C 58.5 . 1 239 . 51 SER C C 174.5 . 1 240 . 51 SER CB C 63.9 . 1 241 . 52 LYS H H 8.2 . 1 242 . 52 LYS N N 122.7 . 1 243 . 52 LYS CA C 56.5 . 1 244 . 52 LYS C C 176.6 . 1 245 . 52 LYS CB C 32.9 . 1 246 . 53 GLN H H 8.26 . 1 247 . 53 GLN N N 121 . 1 248 . 53 GLN CA C 56.1 . 1 249 . 53 GLN C C 176 . 1 250 . 53 GLN CB C 29.6 . 1 251 . 54 SER H H 8.29 . 1 252 . 54 SER N N 117 . 1 253 . 54 SER CA C 58.3 . 1 254 . 54 SER C C 174.6 . 1 255 . 54 SER CB C 64 . 1 256 . 55 SER H H 8.36 . 5 257 . 55 SER N N 117.9 . 5 258 . 55 SER CA C 58.4 . 5 259 . 55 SER C C 174.6 . 5 260 . 55 SER CB C 64 . 5 261 . 56 SER H H 8.3 . 5 262 . 56 SER N N 117.7 . 5 263 . 56 SER CA C 58.4 . 5 264 . 56 SER C C 174.5 . 5 265 . 56 SER CB C 64 . 5 266 . 57 SER H H 8.27 . 5 267 . 57 SER N N 117.9 . 5 268 . 57 SER CA C 58.4 . 5 269 . 57 SER CB C 64 . 5 stop_ loop_ _Atom_shift_assign_ID_ambiguity 44 '39,34' '45,40,35' '46,41,36' '47,42,37' '48,43,38' '266,261,256' '267,262,257' '268,263,258' '264,259' '269,265,260' stop_ save_