data_6784 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; KID domain ; _BMRB_accession_number 6784 _BMRB_flat_file_name bmr6784.str _Entry_type original _Submission_date 2005-08-18 _Accession_date 2005-08-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; kinase inducible domain of the rat c-AMP response element binding protein-CREB residues 101-160 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Radhakrishnan Ishwar . . 2 Perez-Alvarado Gabriela C. . 3 Dyson H. Jane . 4 Wright Peter E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 117 "13C chemical shifts" 179 "15N chemical shifts" 56 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-10-19 original author . stop_ _Original_release_date 2005-10-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Radhakrishnan, I., Perez-Alvarado, G. C., Dyson, H. J. and Wright, P.E. Conformational preferences in the Ser133-phosphorylated and non-phosphorylated forms of the kinase inducible transactivation domain of CREB. (1998) FEBS Letters 430, 317-322. ; _Citation_title ; Conformational preferences in the Ser133-phosphorylated and non-phosphorylated forms of the kinase inducible transactivation domain of CREB ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 9688563 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Radhakrishnan Ishwar . . 2 Perez-Alvarado Gabriela C. . 3 Dyson H. Jane . 4 Wright Peter E. . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_volume 430 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 317 _Page_last 322 _Year 1998 _Details . loop_ _Keyword 'conformational change' 'nuclear magnetic resonance spectroscopy' 'protein phosphorylation' 'protein-protein interaction, transcription activation' structure 'transactivation domain' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name KID _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label KID $kinase_inducible_domain_of_CREB stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'not present' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 KID stop_ loop_ _Biological_function 'kinase inducible transactivation domain' stop_ _Database_query_date . _Details 'Kinase inducible domain of CREB' save_ ######################## # Monomeric polymers # ######################## save_kinase_inducible_domain_of_CREB _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'KID domain' _Molecular_mass 6822 _Mol_thiol_state 'not present' loop_ _Biological_function 'transcriptional activation' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 60 _Mol_residue_sequence ; QISTIAESEDSQESVDSVTD SQKRREILSRRPSYRKILND LSSDAPGVPRIEEEKSEEET ; loop_ _Residue_seq_code _Residue_label 1 GLN 2 ILE 3 SER 4 THR 5 ILE 6 ALA 7 GLU 8 SER 9 GLU 10 ASP 11 SER 12 GLN 13 GLU 14 SER 15 VAL 16 ASP 17 SER 18 VAL 19 THR 20 ASP 21 SER 22 GLN 23 LYS 24 ARG 25 ARG 26 GLU 27 ILE 28 LEU 29 SER 30 ARG 31 ARG 32 PRO 33 SER 34 TYR 35 ARG 36 LYS 37 ILE 38 LEU 39 ASN 40 ASP 41 LEU 42 SER 43 SER 44 ASP 45 ALA 46 PRO 47 GLY 48 VAL 49 PRO 50 ARG 51 ILE 52 GLU 53 GLU 54 GLU 55 LYS 56 SER 57 GLU 58 GLU 59 GLU 60 THR 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 18695 KIX_3 56.67 34 97.06 97.06 1.76e-13 BMRB 6788 Ser133-phosphorylated_kinase_inducible_domain_of_CREB 100.00 60 98.33 98.33 1.45e-30 PDB 2LXT "Allosteric Communication In The Kix Domain Proceeds Through Dynamic Re-packing Of The Hydrophobic Core" 56.67 34 97.06 97.06 1.76e-13 DBJ BAA36482 "CREB [Taeniopygia guttata]" 100.00 327 100.00 100.00 2.60e-30 DBJ BAC32173 "unnamed protein product [Mus musculus]" 100.00 327 100.00 100.00 2.88e-30 DBJ BAC32174 "unnamed protein product [Mus musculus]" 100.00 327 100.00 100.00 2.88e-30 DBJ BAG11405 "cAMP response element-binding protein [synthetic construct]" 100.00 341 100.00 100.00 3.57e-30 DBJ BAG35615 "unnamed protein product [Homo sapiens]" 100.00 341 100.00 100.00 3.57e-30 EMBL CAA32890 "unnamed protein product [Rattus norvegicus]" 100.00 341 100.00 100.00 3.65e-30 EMBL CAA39151 "CREB protein [Homo sapiens]" 100.00 341 100.00 100.00 3.57e-30 EMBL CAA40347 "CREB2 [Bos taurus]" 100.00 325 100.00 100.00 3.24e-30 EMBL CAA42619 "delta CREB [Rattus norvegicus]" 100.00 327 98.33 100.00 9.62e-30 EMBL CAA42620 "delta CREB [Homo sapiens]" 98.33 327 100.00 100.00 1.56e-29 GB AAA35715 "transactivator protein [Homo sapiens]" 100.00 327 100.00 100.00 2.74e-30 GB AAA35716 "active transcription factor CREB-A [Homo sapiens]" 100.00 327 100.00 100.00 2.74e-30 GB AAA35717 "active transcription factor CREB-B [Homo sapiens]" 100.00 341 100.00 100.00 3.57e-30 GB AAA37456 "cAMP respone element binding protein [Mus musculus]" 100.00 341 100.00 100.00 3.57e-30 GB AAB20597 "CREB327 [Homo sapiens]" 100.00 327 100.00 100.00 2.74e-30 PIR A40120 "cAMP-responsive enhancer-binding protein CREB - human" 100.00 326 100.00 100.00 2.96e-30 PRF 1504306A "cAMP regulated nuclear factor CREB" 100.00 341 100.00 100.00 3.65e-30 REF NP_001032815 "cyclic AMP-responsive element-binding protein 1 isoform C [Mus musculus]" 100.00 287 100.00 100.00 2.75e-30 REF NP_001041721 "cyclic AMP-responsive element-binding protein 1 [Taeniopygia guttata]" 100.00 327 100.00 100.00 2.60e-30 REF NP_001080072 "cAMP responsive element binding protein 1 [Xenopus laevis]" 100.00 324 98.33 98.33 1.25e-29 REF NP_001093399 "cyclic AMP-responsive element-binding protein 1 [Sus scrofa]" 100.00 327 100.00 100.00 3.07e-30 REF NP_001153276 "cyclic AMP-responsive element-binding protein 1 [Pongo abelii]" 100.00 341 100.00 100.00 3.80e-30 SP P15337 "RecName: Full=Cyclic AMP-responsive element-binding protein 1; Short=CREB-1; Short=cAMP-responsive element-binding protein 1 [R" 100.00 341 100.00 100.00 3.65e-30 SP P16220 "RecName: Full=Cyclic AMP-responsive element-binding protein 1; Short=CREB-1; Short=cAMP-responsive element-binding protein 1 [H" 100.00 341 100.00 100.00 3.57e-30 SP P27925 "RecName: Full=Cyclic AMP-responsive element-binding protein 1; Short=CREB-1; Short=cAMP-responsive element-binding protein 1; A" 100.00 325 100.00 100.00 3.05e-30 SP Q01147 "RecName: Full=Cyclic AMP-responsive element-binding protein 1; Short=CREB-1; Short=cAMP-responsive element-binding protein 1 [M" 100.00 341 100.00 100.00 3.57e-30 TPG DAA32469 "TPA: cyclic AMP-responsive element-binding protein 1 [Bos taurus]" 100.00 325 100.00 100.00 3.05e-30 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organelle _Gene_mnemonic $kinase_inducible_domain_of_CREB rat 10116 Eukaryota Metazoa Rattus norvegicus nucleus CREBalpha stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name _Vendor_name $kinase_inducible_domain_of_CREB 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid pET-24a Novagen 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 $kinase_inducible_domain_of_CREB 1.2 mM 1.2 1.5 [U-15N] Tris-d11 20 mM . . . NaCL 50 mM . . . DTT 10 mM . . . NaN3 0.2 % . . . H2O 90 % . . . D2O 10 % . . . 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 $kinase_inducible_domain_of_CREB 1.2 mM 1.2 1.5 '[U-15N; U-13C]' Tris-d11 20 mM . . . NaCL 50 mM . . . DTT 10 mM . . . NaN3 0.2 % . . . H2O 90 % . . . D2O 10 % . . . stop_ save_ ############################ # Computer software used # ############################ save_Felix95 _Saveframe_category software _Name Felix95 _Version Felix95 loop_ _Vendor _Address _Electronic_address Molecular_Simulations_Inc.,_San_Diego . . stop_ _Details . save_ save_Felix97 _Saveframe_category software _Name Felix97 _Version Felix97 loop_ _Vendor _Address _Electronic_address Molecular_Simulations_Inc.,_San_Diego . . stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 _Details . save_ save_500MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _Sample_label $sample_1 save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_2 save_ save_CBCA(CO)HN_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)HN _Sample_label $sample_2 save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_2 save_ save_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCACO _Sample_label $sample_1 save_ save_15N-TOCSY-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-TOCSY-HSQC _Sample_label $sample_1 save_ save_15N-NOESY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY-HSQC _Sample_label $sample_1 save_ save_13C-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC _Sample_label $sample_2 save_ save_15N-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N13CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N13CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCA(CO)HN _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)HN _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCACO _Saveframe_category NMR_applied_experiment _Experiment_name HCACO _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N-TOCSY-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 15N-TOCSY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N-NOESY-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 0.5 mM pH 6.6 0.05 pH pressure 1 0.2 atm temperature 288 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $Felix95 $Felix97 stop_ loop_ _Experiment_label 15N-HSQC HNCACB CBCA(CO)HN HNCO HCACO 15N-TOCSY-HSQC 15N-NOESY-HSQC 13C-HSQC stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name KID _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 1 101 1 GLN HA H 4.43 0.02 . 2 101 1 GLN C C 175.41 0.08 . 3 101 1 GLN CA C 55.71 0.08 . 4 101 1 GLN CB C 29.72 0.08 . 5 102 2 ILE H H 8.49 0.02 . 6 102 2 ILE HA H 4.19 0.02 . 7 102 2 ILE C C 176.24 0.08 . 8 102 2 ILE CA C 61.25 0.08 . 9 102 2 ILE CB C 38.87 0.08 . 10 102 2 ILE N N 123.77 0.07 . 11 103 3 SER H H 8.53 0.02 . 12 103 3 SER HA H 4.54 0.02 . 13 103 3 SER C C 174.68 0.08 . 14 103 3 SER CA C 58.17 0.08 . 15 103 3 SER CB C 63.98 0.08 . 16 103 3 SER N N 120.22 0.07 . 17 104 4 THR H H 8.3 0.02 . 18 104 4 THR HA H 4.35 0.02 . 19 104 4 THR C C 174.48 0.08 . 20 104 4 THR CA C 61.83 0.08 . 21 104 4 THR CB C 69.77 0.08 . 22 104 4 THR N N 116.55 0.07 . 23 105 5 ILE H H 8.16 0.02 . 24 105 5 ILE HA H 4.14 0.02 . 25 105 5 ILE C C 175.9 0.08 . 26 105 5 ILE CA C 61.2 0.08 . 27 105 5 ILE CB C 38.71 0.08 . 28 105 5 ILE N N 123 0.07 . 29 106 6 ALA H H 8.42 0.02 . 30 106 6 ALA HA H 4.3 0.02 . 31 106 6 ALA C C 177.71 0.08 . 32 106 6 ALA CA C 52.51 0.08 . 33 106 6 ALA CB C 19.33 0.08 . 34 106 6 ALA N N 128.45 0.07 . 35 107 7 GLU H H 8.44 0.02 . 36 107 7 GLU HA H 4.25 0.02 . 37 107 7 GLU C C 176.61 0.08 . 38 107 7 GLU CA C 56.67 0.08 . 39 107 7 GLU CB C 30.34 0.08 . 40 107 7 GLU N N 120.53 0.07 . 41 108 8 SER H H 8.36 0.02 . 42 108 8 SER HA H 4.42 0.02 . 43 108 8 SER C C 174.72 0.08 . 44 108 8 SER CA C 58.36 0.08 . 45 108 8 SER CB C 64.12 0.08 . 46 108 8 SER N N 116.3 0.07 . 47 109 9 GLU H H 8.57 0.02 . 48 109 9 GLU HA H 4.28 0.02 . 49 109 9 GLU C C 176.33 0.08 . 50 109 9 GLU CA C 56.78 0.08 . 51 109 9 GLU CB C 30.33 0.08 . 52 109 9 GLU N N 122.91 0.07 . 53 110 10 ASP H H 8.39 0.02 . 54 110 10 ASP HA H 4.6 0.02 . 55 110 10 ASP C C 176.4 0.08 . 56 110 10 ASP CA C 54.4 0.08 . 57 110 10 ASP CB C 41.21 0.08 . 58 110 10 ASP N N 121.09 0.07 . 59 111 11 SER H H 8.29 0.02 . 60 111 11 SER HA H 4.4 0.02 . 61 111 11 SER C C 174.84 0.08 . 62 111 11 SER CA C 58.54 0.08 . 63 111 11 SER CB C 63.65 0.08 . 64 111 11 SER N N 116.34 0.07 . 65 112 12 GLN H H 8.49 0.02 . 66 112 12 GLN HA H 4.3 0.02 . 67 112 12 GLN C C 176.09 0.08 . 68 112 12 GLN CA C 56.05 0.08 . 69 112 12 GLN CB C 29.44 0.08 . 70 112 12 GLN N N 122.08 0.07 . 71 113 13 GLU H H 8.42 0.02 . 72 113 13 GLU HA H 4.26 0.02 . 73 113 13 GLU C C 176.6 0.08 . 74 113 13 GLU CA C 56.8 0.08 . 75 113 13 GLU CB C 30.36 0.08 . 76 113 13 GLU N N 121.54 0.07 . 77 114 14 SER H H 8.42 0.02 . 78 114 14 SER HA H 4.47 0.02 . 79 114 14 SER C C 174.18 0.08 . 80 114 14 SER CA C 58.37 0.08 . 81 114 14 SER CB C 63.79 0.08 . 82 114 14 SER N N 117.1 0.07 . 83 115 15 VAL H H 8.3 0.02 . 84 115 15 VAL HA H 4.12 0.02 . 85 115 15 VAL C C 176.17 0.08 . 86 115 15 VAL CA C 62.72 0.08 . 87 115 15 VAL CB C 32.6 0.08 . 88 115 15 VAL N N 121.75 0.07 . 89 116 16 ASP H H 8.38 0.02 . 90 116 16 ASP HA H 4.6 0.02 . 91 116 16 ASP C C 176.41 0.08 . 92 116 16 ASP CA C 54.64 0.08 . 93 116 16 ASP CB C 41.22 0.08 . 94 116 16 ASP N N 122.78 0.07 . 95 117 17 SER H H 8.24 0.02 . 96 117 17 SER HA H 4.41 0.02 . 97 117 17 SER C C 175.02 0.08 . 98 117 17 SER CA C 58.83 0.08 . 99 117 17 SER CB C 63.8 0.08 . 100 117 17 SER N N 115.99 0.07 . 101 118 18 VAL H H 8.18 0.02 . 102 118 18 VAL HA H 4.11 0.02 . 103 118 18 VAL C C 177.04 0.08 . 104 118 18 VAL CA C 63.29 0.08 . 105 118 18 VAL CB C 32.34 0.08 . 106 118 18 VAL N N 122.04 0.07 . 107 119 19 THR H H 8.22 0.02 . 108 119 19 THR HA H 4.24 0.02 . 109 119 19 THR C C 175.09 0.08 . 110 119 19 THR CA C 62.88 0.08 . 111 119 19 THR CB C 69.54 0.08 . 112 119 19 THR N N 116.89 0.07 . 113 120 20 ASP H H 8.33 0.02 . 114 120 20 ASP HA H 4.56 0.02 . 115 120 20 ASP C C 177.21 0.08 . 116 120 20 ASP CA C 55.4 0.08 . 117 120 20 ASP CB C 41.24 0.08 . 118 120 20 ASP N N 122.6 0.07 . 119 121 21 SER H H 8.38 0.02 . 120 121 21 SER HA H 4.23 0.02 . 121 121 21 SER C C 175.9 0.08 . 122 121 21 SER CA C 60.36 0.08 . 123 121 21 SER CB C 63.84 0.08 . 124 121 21 SER N N 116.55 0.07 . 125 122 22 GLN H H 8.28 0.02 . 126 122 22 GLN HA H 4.14 0.02 . 127 122 22 GLN C C 177.32 0.08 . 128 122 22 GLN CA C 57.69 0.08 . 129 122 22 GLN CB C 28.56 0.08 . 130 122 22 GLN N N 121.66 0.07 . 131 123 23 LYS H H 8.11 0.02 . 132 123 23 LYS HA H 4.15 0.02 . 133 123 23 LYS C C 177.79 0.08 . 134 123 23 LYS CA C 57.78 0.08 . 135 123 23 LYS CB C 32.46 0.08 . 136 123 23 LYS N N 120.65 0.07 . 137 124 24 ARG H H 8.14 0.02 . 138 124 24 ARG HA H 4.12 0.02 . 139 124 24 ARG C C 177.25 0.08 . 140 124 24 ARG CA C 57.78 0.08 . 141 124 24 ARG CB C 30.4 0.08 . 142 124 24 ARG N N 119.98 0.07 . 143 125 25 ARG H H 8.11 0.02 . 144 125 25 ARG HA H 4.13 0.02 . 145 125 25 ARG C C 177.54 0.08 . 146 125 25 ARG CA C 57.72 0.08 . 147 125 25 ARG CB C 30.46 0.08 . 148 125 25 ARG N N 120.27 0.07 . 149 126 26 GLU H H 8.26 0.02 . 150 126 26 GLU HA H 4.14 0.02 . 151 126 26 GLU C C 177.64 0.08 . 152 126 26 GLU CA C 57.79 0.08 . 153 126 26 GLU CB C 29.84 0.08 . 154 126 26 GLU N N 121.28 0.07 . 155 127 27 ILE H H 8.11 0.02 . 156 127 27 ILE HA H 3.92 0.02 . 157 127 27 ILE C C 177.54 0.08 . 158 127 27 ILE CA C 62.83 0.08 . 159 127 27 ILE CB C 38.31 0.08 . 160 127 27 ILE N N 121.27 0.07 . 161 128 28 LEU H H 8.2 0.02 . 162 128 28 LEU HA H 4.22 0.02 . 163 128 28 LEU C C 178.11 0.08 . 164 128 28 LEU CA C 56.14 0.08 . 165 128 28 LEU CB C 42.04 0.08 . 166 128 28 LEU N N 123.25 0.07 . 167 129 29 SER H H 8.08 0.02 . 168 129 29 SER HA H 4.29 0.02 . 169 129 29 SER C C 174.48 0.08 . 170 129 29 SER CA C 59.08 0.08 . 171 129 29 SER CB C 63.64 0.08 . 172 129 29 SER N N 114.93 0.07 . 173 130 30 ARG H H 7.93 0.02 . 174 130 30 ARG HA H 4.31 0.02 . 175 130 30 ARG C C 176.14 0.08 . 176 130 30 ARG CA C 56.14 0.08 . 177 130 30 ARG CB C 30.83 0.08 . 178 130 30 ARG N N 121.68 0.07 . 179 131 31 ARG H H 8.2 0.02 . 180 131 31 ARG HA H 4.58 0.02 . 181 131 31 ARG C C 174.39 0.08 . 182 131 31 ARG CA C 54.33 0.08 . 183 131 31 ARG CB C 30.39 0.08 . 184 131 31 ARG N N 122.85 0.07 . 185 132 32 PRO HA H 4.38 0.02 . 186 132 32 PRO C C 176.91 0.08 . 187 132 32 PRO CA C 63.51 0.08 . 188 132 32 PRO CB C 32.13 0.08 . 189 133 33 SER H H 8.37 0.02 . 190 133 33 SER HA H 4.35 0.02 . 191 133 33 SER C C 174.38 0.08 . 192 133 33 SER CA C 58.38 0.08 . 193 133 33 SER CB C 63.73 0.08 . 194 133 33 SER N N 115.12 0.07 . 195 134 34 TYR H H 8.15 0.02 . 196 134 34 TYR HA H 4.53 0.02 . 197 134 34 TYR C C 175.53 0.08 . 198 134 34 TYR CA C 58.08 0.08 . 199 134 34 TYR CB C 38.83 0.08 . 200 134 34 TYR N N 122.33 0.07 . 201 135 35 ARG H H 8.07 0.02 . 202 135 35 ARG HA H 4.19 0.02 . 203 135 35 ARG C C 175.51 0.08 . 204 135 35 ARG CA C 56.01 0.08 . 205 135 35 ARG CB C 31.04 0.08 . 206 135 35 ARG N N 122.84 0.07 . 207 136 36 LYS H H 8.27 0.02 . 208 136 36 LYS HA H 4.2 0.02 . 209 136 36 LYS C C 176.32 0.08 . 210 136 36 LYS CA C 56.47 0.08 . 211 136 36 LYS CB C 33.05 0.08 . 212 136 36 LYS N N 123.21 0.07 . 213 137 37 ILE H H 8.21 0.02 . 214 137 37 ILE HA H 4.1 0.02 . 215 137 37 ILE C C 176.2 0.08 . 216 137 37 ILE CA C 61.29 0.08 . 217 137 37 ILE CB C 38.56 0.08 . 218 137 37 ILE N N 122.94 0.07 . 219 138 38 LEU H H 8.34 0.02 . 220 138 38 LEU HA H 4.31 0.02 . 221 138 38 LEU C C 176.97 0.08 . 222 138 38 LEU CA C 55.2 0.08 . 223 138 38 LEU CB C 42.31 0.08 . 224 138 38 LEU N N 125.96 0.07 . 225 139 39 ASN H H 8.4 0.02 . 226 139 39 ASN HA H 4.64 0.02 . 227 139 39 ASN C C 174.74 0.08 . 228 139 39 ASN CA C 53.33 0.08 . 229 139 39 ASN CB C 38.96 0.08 . 230 139 39 ASN N N 119.22 0.07 . 231 140 40 ASP H H 8.31 0.02 . 232 140 40 ASP HA H 4.56 0.02 . 233 140 40 ASP C C 176.37 0.08 . 234 140 40 ASP CA C 54.39 0.08 . 235 140 40 ASP CB C 41.07 0.08 . 236 140 40 ASP N N 120.39 0.07 . 237 141 41 LEU H H 8.28 0.02 . 238 141 41 LEU HA H 4.35 0.02 . 239 141 41 LEU C C 177.79 0.08 . 240 141 41 LEU CA C 55.42 0.08 . 241 141 41 LEU CB C 42.02 0.08 . 242 141 41 LEU N N 122.38 0.07 . 243 142 42 SER H H 8.34 0.02 . 244 142 42 SER HA H 4.41 0.02 . 245 142 42 SER C C 174.86 0.08 . 246 142 42 SER CA C 58.93 0.08 . 247 142 42 SER CB C 63.92 0.08 . 248 142 42 SER N N 116.2 0.07 . 249 143 43 SER H H 8.31 0.02 . 250 143 43 SER HA H 4.42 0.02 . 251 143 43 SER C C 174.95 0.08 . 252 143 43 SER CA C 58.53 0.08 . 253 143 43 SER CB C 63.87 0.08 . 254 143 43 SER N N 117.44 0.07 . 255 144 44 ASP H H 8.29 0.02 . 256 144 44 ASP HA H 4.59 0.02 . 257 144 44 ASP C C 175.52 0.08 . 258 144 44 ASP CA C 54.19 0.08 . 259 144 44 ASP CB C 41.17 0.08 . 260 144 44 ASP N N 121.95 0.07 . 261 145 45 ALA H H 8.13 0.02 . 262 145 45 ALA HA H 4.55 0.02 . 263 145 45 ALA C C 175.34 0.08 . 264 145 45 ALA CA C 50.62 0.08 . 265 145 45 ALA CB C 18.34 0.08 . 266 145 45 ALA N N 125.05 0.07 . 267 146 46 PRO HA H 4.39 0.02 . 268 146 46 PRO C C 177.7 0.08 . 269 146 46 PRO CA C 63.35 0.08 . 270 146 46 PRO CB C 32.11 0.08 . 271 147 47 GLY H H 8.49 0.02 . 272 147 47 GLY HA2 H 3.92 0.02 . 273 147 47 GLY HA3 H 3.88 0.02 . 274 147 47 GLY C C 173.84 0.08 . 275 147 47 GLY CA C 45.14 0.08 . 276 147 47 GLY N N 109.15 0.07 . 277 148 48 VAL H H 7.93 0.02 . 278 148 48 VAL HA H 4.4 0.02 . 279 148 48 VAL C C 174.48 0.08 . 280 148 48 VAL CA C 59.89 0.08 . 281 148 48 VAL CB C 32.64 0.08 . 282 148 48 VAL N N 120.91 0.07 . 283 149 49 PRO HA H 4.37 0.02 . 284 149 49 PRO C C 176.6 0.08 . 285 149 49 PRO CA C 63.23 0.08 . 286 149 49 PRO CB C 32.17 0.08 . 287 150 50 ARG H H 8.49 0.02 . 288 150 50 ARG HA H 4.32 0.02 . 289 150 50 ARG C C 176.3 0.08 . 290 150 50 ARG CA C 55.9 0.08 . 291 150 50 ARG CB C 31.06 0.08 . 292 150 50 ARG N N 122.23 0.07 . 293 151 51 ILE H H 8.36 0.02 . 294 151 51 ILE HA H 4.13 0.02 . 295 151 51 ILE C C 176.23 0.08 . 296 151 51 ILE CA C 61.18 0.08 . 297 151 51 ILE CB C 38.63 0.08 . 298 151 51 ILE N N 123.36 0.07 . 299 152 52 GLU H H 8.6 0.02 . 300 152 52 GLU HA H 4.27 0.02 . 301 152 52 GLU C C 176.26 0.08 . 302 152 52 GLU CA C 56.41 0.08 . 303 152 52 GLU CB C 30.35 0.08 . 304 152 52 GLU N N 125.19 0.07 . 305 153 53 GLU H H 8.46 0.02 . 306 153 53 GLU HA H 4.24 0.02 . 307 153 53 GLU C C 176.33 0.08 . 308 153 53 GLU CA C 56.49 0.08 . 309 153 53 GLU CB C 30.63 0.08 . 310 153 53 GLU N N 122.24 0.07 . 311 154 54 GLU H H 8.51 0.02 . 312 154 54 GLU HA H 4.24 0.02 . 313 154 54 GLU C C 176.27 0.08 . 314 154 54 GLU CA C 56.48 0.08 . 315 154 54 GLU CB C 30.35 0.08 . 316 154 54 GLU N N 122.6 0.07 . 317 155 55 LYS H H 8.46 0.02 . 318 155 55 LYS HA H 4.37 0.02 . 319 155 55 LYS C C 176.49 0.08 . 320 155 55 LYS CA C 56.03 0.08 . 321 155 55 LYS CB C 33.39 0.08 . 322 155 55 LYS N N 123.39 0.07 . 323 156 56 SER H H 8.56 0.02 . 324 156 56 SER HA H 4.45 0.02 . 325 156 56 SER C C 174.76 0.08 . 326 156 56 SER CA C 58.25 0.08 . 327 156 56 SER CB C 64.04 0.08 . 328 156 56 SER N N 118.29 0.07 . 329 157 57 GLU H H 8.63 0.02 . 330 157 57 GLU HA H 4.29 0.02 . 331 157 57 GLU C C 176.49 0.08 . 332 157 57 GLU CA C 56.66 0.08 . 333 157 57 GLU CB C 30.33 0.08 . 334 157 57 GLU N N 123.01 0.07 . 335 158 58 GLU H H 8.44 0.02 . 336 158 58 GLU HA H 4.27 0.02 . 337 158 58 GLU C C 176.37 0.08 . 338 158 58 GLU CA C 56.5 0.08 . 339 158 58 GLU CB C 30.58 0.08 . 340 158 58 GLU N N 121.25 0.07 . 341 159 59 GLU H H 8.45 0.02 . 342 159 59 GLU HA H 4.33 0.02 . 343 159 59 GLU C C 175.89 0.08 . 344 159 59 GLU CA C 56.57 0.08 . 345 159 59 GLU CB C 30.49 0.08 . 346 159 59 GLU N N 122.58 0.07 . 347 160 60 THR H H 7.9 0.02 . 348 160 60 THR HA H 4.11 0.02 . 349 160 60 THR C C 179.32 0.08 . 350 160 60 THR CA C 63.36 0.08 . 351 160 60 THR CB C 70.88 0.08 . 352 160 60 THR N N 120.72 0.07 . stop_ save_