data_26867 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HADDOCK model of the complex between the KIX domain of CBP and the transactivation domain of p65 ; _BMRB_accession_number 26867 _BMRB_flat_file_name bmr26867.str _Entry_type original _Submission_date 2016-08-04 _Accession_date 2016-08-04 _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 Lecoq Lauriane . . 2 Raiola L. . . 3 Cyr N. . . 4 Chabot P. . . 5 Arseneault G. . . 6 Omichinski J. G. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 526 "13C chemical shifts" 476 "15N chemical shifts" 118 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-07-11 update BMRB 'update entry citation' 2017-03-02 original author 'original release' stop_ _Original_release_date 2016-08-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural characterization of interactions between transactivation domain 1 of the p65 subunit of NF-kB and transcription regulatory factors ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28334776 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lecoq Lauriane . . 2 Raiola Luca . . 3 Chabot Philippe R. . 4 Cyr Normand . . 5 Arseneault Genevieve . . 6 Legault Pascale . . 7 Omichinski James G. . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 45 _Journal_issue 9 _Journal_ISSN 1362-4962 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5564 _Page_last 5576 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HADDOCK model of the complex between the KIX domain of CBP and the transactivation domain of p65' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CREB-BINDING PROTEIN' $CREB-BINDING_PROTEIN 'TRANSCRIPTION FACTOR P65' $TRANSCRIPTION_FACTOR_P65 stop_ _System_molecular_weight 13713.4209 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CREB-BINDING_PROTEIN _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CREB-BINDING_PROTEIN _Molecular_mass 10339.847 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 87 _Mol_residue_sequence ; GVRKGWHEHVTQDLRSHLVH KLVQAIFPTPDPAALKDRRM ENLVAYAKKVEGDMYESANS RDEYYHLLAEKIYKIQKELE EKRRSRL ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 VAL 3 ARG 4 LYS 5 GLY 6 TRP 7 HIS 8 GLU 9 HIS 10 VAL 11 THR 12 GLN 13 ASP 14 LEU 15 ARG 16 SER 17 HIS 18 LEU 19 VAL 20 HIS 21 LYS 22 LEU 23 VAL 24 GLN 25 ALA 26 ILE 27 PHE 28 PRO 29 THR 30 PRO 31 ASP 32 PRO 33 ALA 34 ALA 35 LEU 36 LYS 37 ASP 38 ARG 39 ARG 40 MET 41 GLU 42 ASN 43 LEU 44 VAL 45 ALA 46 TYR 47 ALA 48 LYS 49 LYS 50 VAL 51 GLU 52 GLY 53 ASP 54 MET 55 TYR 56 GLU 57 SER 58 ALA 59 ASN 60 SER 61 ARG 62 ASP 63 GLU 64 TYR 65 TYR 66 HIS 67 LEU 68 LEU 69 ALA 70 GLU 71 LYS 72 ILE 73 TYR 74 LYS 75 ILE 76 GLN 77 LYS 78 GLU 79 LEU 80 GLU 81 GLU 82 LYS 83 ARG 84 ARG 85 SER 86 ARG 87 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP CBP_MOUSE P45481 . . . . . stop_ save_ save_TRANSCRIPTION_FACTOR_P65 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TRANSCRIPTION_FACTOR_P65 _Molecular_mass 3373.5739 _Mol_thiol_state 'not present' _Details 'SEQUENCE CONTAINS THE P65 C-TERMINAL RESIDUE 521 TO 551.' _Residue_count 33 _Mol_residue_sequence ; GSPGYPNGLLSGDEDFSSIA DMDFSALLSQISS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 519 GLY 2 520 SER 3 521 PRO 4 522 GLY 5 523 TYR 6 524 PRO 7 525 ASN 8 526 GLY 9 527 LEU 10 528 LEU 11 529 SER 12 530 GLY 13 531 ASP 14 532 GLU 15 533 ASP 16 534 PHE 17 535 SER 18 536 SER 19 537 ILE 20 538 ALA 21 539 ASP 22 540 MET 23 541 ASP 24 542 PHE 25 543 SER 26 544 ALA 27 545 LEU 28 546 LEU 29 547 SER 30 548 GLN 31 549 ILE 32 550 SER 33 551 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP TF65_HUMAN Q04206 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CREB-BINDING_PROTEIN Mouse 10090 Eukaryota Metazoa Mus musculus $TRANSCRIPTION_FACTOR_P65 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 _Variant _Vector_type _Vector_name $CREB-BINDING_PROTEIN 'recombinant technology' 'Escherichia coli' Escherichia coli BL21(DE3) DE3 n/a pET21a $TRANSCRIPTION_FACTOR_P65 'recombinant technology' 'Escherichia coli' Escherichia coli BL21(DE3) DE3 n/a pET-His-GST-TEV stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '13C-15N KIX 0.8 mM / unlabeled p65 1.6 mM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CREB-BINDING_PROTEIN 0.8 mM '[U-13C; U-15N]' $TRANSCRIPTION_FACTOR_P65 1.6 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '13C-15N KIX 0.8 mM / unlabeled p65 1.6 mM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CREB-BINDING_PROTEIN 0.8 mM '[U-13C; U-15N]' $TRANSCRIPTION_FACTOR_P65 1.6 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '13C-15N p65 0.7 mM / unlabeled KIX 1.4 mM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CREB-BINDING_PROTEIN 1.4 mM 'natural abundance' $TRANSCRIPTION_FACTOR_P65 0.7 mM '[U-13C; U-15N]' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '13C-15N p65 0.7 mM / unlabeled KIX 1.4 mM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CREB-BINDING_PROTEIN 1.4 mM 'natural abundance' $TRANSCRIPTION_FACTOR_P65 0.7 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Saveframe_category software _Name AutoDep _Version 4.3 loop_ _Vendor _Address _Electronic_address PDBe . . stop_ loop_ _Task collection stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version any loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CcpNmr _Saveframe_category software _Name CcpNmr _Version any loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_HADDOCK _Saveframe_category software _Name HADDOCK _Version any loop_ _Vendor _Address _Electronic_address 'Alexandre Bonvin' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRPIPE _Saveframe_category software _Name NMRPIPE _Version any loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian_UnityInova-600 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityInova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label $sample_1 save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CCC-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name CCC-TOCSY _Sample_label $sample_1 save_ save_HCC-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY _Sample_label $sample_1 save_ save_1H-13C_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _Sample_label $sample_2 save_ save_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label $sample_2 save_ save_Intermolecular_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'Intermolecular NOESY' _Sample_label $sample_2 save_ save_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label $sample_3 save_ save_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_3 save_ save_HNCACB_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_3 save_ save_HCCONH_12 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _Sample_label $sample_3 save_ save_1H-13C_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _Sample_label $sample_4 save_ save_Intermolecular_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name 'Intermolecular NOESY' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'pH [6.5], temp [300], pressure [1], ionStrength [0.0]' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.0 . mM pH 6.500 . pH pressure 1.000 . atm temperature 300.000 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.0 internal indirect . . . 1 DSS N 15 'methyl protons' ppm 0.0 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/5g63/ebi/shifts_chainA.str.csh' loop_ _Software_label $CNS stop_ loop_ _Experiment_label '1H-15N HSQC' HNCO HNCACB CCC-TOCSY HCC-TOCSY '1H-13C HSQC' HCCH-COSY 'Intermolecular NOESY' HCCONH stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _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 1 GLY CA C 43.257 0.141 1 2 1 1 GLY HA2 H 3.890 0.004 1 3 2 2 VAL C C 173.228 . 1 4 2 2 VAL CA C 62.101 0.021 1 5 2 2 VAL CB C 33.018 0.068 1 6 2 2 VAL CG1 C 20.448 0.045 2 7 2 2 VAL CG2 C 21.272 0.055 2 8 2 2 VAL HA H 4.178 0.001 1 9 2 2 VAL HB H 2.072 0.003 1 10 2 2 VAL HG1 H 0.932 0.002 2 11 2 2 VAL HG2 H 0.926 0.006 2 12 3 3 ARG C C 173.371 . 1 13 3 3 ARG CA C 56.261 0.014 1 14 3 3 ARG CB C 30.903 0.032 1 15 3 3 ARG CD C 43.406 . 1 16 3 3 ARG CG C 27.287 . 1 17 3 3 ARG H H 8.585 0.003 1 18 3 3 ARG N N 125.553 0.01 1 19 4 4 LYS C C 174.077 . 1 20 4 4 LYS CA C 54.660 0.048 1 21 4 4 LYS CB C 33.608 0.064 1 22 4 4 LYS CE C 42.512 . 1 23 4 4 LYS CG C 25.415 0.001 1 24 4 4 LYS H H 8.012 0.006 1 25 4 4 LYS HA H 4.275 0.007 1 26 4 4 LYS HB2 H 1.252 0.001 2 27 4 4 LYS HB3 H 0.229 0.043 2 28 4 4 LYS HE2 H 2.992 . 1 29 4 4 LYS HG2 H 1.166 . 2 30 4 4 LYS HG3 H 1.248 . 2 31 4 4 LYS N N 123.218 0.075 1 32 5 5 GLY C C 173.993 . 1 33 5 5 GLY CA C 47.440 0.064 1 34 5 5 GLY H H 8.377 0.003 1 35 5 5 GLY HA2 H 3.958 0.003 2 36 5 5 GLY HA3 H 3.733 0.004 2 37 5 5 GLY N N 109.993 0.018 1 38 6 6 TRP C C 175.012 . 1 39 6 6 TRP CA C 58.095 0.006 1 40 6 6 TRP CB C 27.913 0.052 1 41 6 6 TRP H H 7.882 0.007 1 42 6 6 TRP HA H 4.529 . 1 43 6 6 TRP HB2 H 3.628 0.001 2 44 6 6 TRP HB3 H 3.166 0.007 2 45 6 6 TRP HE1 H 9.105 . 1 46 6 6 TRP N N 118.297 0.044 1 47 6 6 TRP NE1 N 128.777 . 1 48 7 7 HIS C C 174.532 . 1 49 7 7 HIS CA C 56.606 0.021 1 50 7 7 HIS CB C 29.983 0.181 1 51 7 7 HIS H H 6.897 0.005 1 52 7 7 HIS HA H 3.524 0.003 1 53 7 7 HIS HB2 H 2.893 . 1 54 7 7 HIS N N 120.233 0.052 1 55 8 8 GLU C C 174.034 . 1 56 8 8 GLU CA C 58.203 0.015 1 57 8 8 GLU CB C 29.584 0.03 1 58 8 8 GLU CG C 35.833 0.006 1 59 8 8 GLU H H 7.555 0.004 1 60 8 8 GLU HA H 3.976 0.001 1 61 8 8 GLU HB2 H 1.738 0.001 2 62 8 8 GLU HB3 H 1.814 0.002 2 63 8 8 GLU HG2 H 2.075 0.004 1 64 8 8 GLU N N 116.294 0.019 1 65 9 9 HIS C C 172.105 . 1 66 9 9 HIS CA C 55.140 0.107 1 67 9 9 HIS CB C 30.859 0.204 1 68 9 9 HIS H H 7.531 0.008 1 69 9 9 HIS HA H 4.889 0.008 1 70 9 9 HIS HB2 H 3.618 0.014 2 71 9 9 HIS HB3 H 3.257 0.007 2 72 9 9 HIS N N 114.108 0.044 1 73 10 10 VAL C C 171.736 . 1 74 10 10 VAL CA C 62.011 0.06 1 75 10 10 VAL CB C 33.464 0.013 1 76 10 10 VAL CG1 C 22.247 0.019 2 77 10 10 VAL CG2 C 21.520 0.002 2 78 10 10 VAL H H 7.530 0.007 1 79 10 10 VAL HA H 4.538 . 1 80 10 10 VAL HB H 2.268 0.002 1 81 10 10 VAL HG1 H 1.191 0.001 2 82 10 10 VAL HG2 H 1.280 0.004 2 83 10 10 VAL N N 120.423 0.02 1 84 11 11 THR C C 172.773 . 1 85 11 11 THR CA C 60.063 0.049 1 86 11 11 THR CB C 71.218 0.03 1 87 11 11 THR CG2 C 22.095 0.099 1 88 11 11 THR H H 7.536 0.004 1 89 11 11 THR HA H 4.600 . 1 90 11 11 THR HB H 4.169 . 1 91 11 11 THR HG2 H 1.352 . 1 92 11 11 THR N N 115.100 0.03 1 93 12 12 GLN C C 175.263 . 1 94 12 12 GLN CA C 58.840 0.03 1 95 12 12 GLN CB C 28.098 0.029 1 96 12 12 GLN CD C 177.279 0.01 1 97 12 12 GLN CG C 33.690 0.027 1 98 12 12 GLN H H 8.945 0.007 1 99 12 12 GLN HA H 3.836 0.002 1 100 12 12 GLN HB2 H 2.129 0.002 2 101 12 12 GLN HB3 H 2.066 0.001 2 102 12 12 GLN HE21 H 6.693 0.003 1 103 12 12 GLN HE22 H 7.412 0.004 1 104 12 12 GLN HG2 H 2.396 0.002 1 105 12 12 GLN N N 120.356 0.013 1 106 12 12 GLN NE2 N 112.773 0.001 1 107 13 13 ASP C C 175.706 . 1 108 13 13 ASP CA C 57.028 0.018 1 109 13 13 ASP CB C 40.288 0.034 1 110 13 13 ASP H H 8.403 0.006 1 111 13 13 ASP HA H 4.353 0.001 1 112 13 13 ASP HB2 H 2.605 0.001 1 113 13 13 ASP N N 117.689 0.015 1 114 14 14 LEU C C 176.181 . 1 115 14 14 LEU CA C 58.196 0.07 1 116 14 14 LEU CB C 41.573 0.079 1 117 14 14 LEU CD1 C 25.637 0.022 2 118 14 14 LEU CD2 C 24.171 0.048 2 119 14 14 LEU CG C 27.636 0.013 1 120 14 14 LEU H H 7.633 0.004 1 121 14 14 LEU HA H 4.275 . 1 122 14 14 LEU HB2 H 1.910 . 1 123 14 14 LEU HD1 H 1.312 0.004 2 124 14 14 LEU HD2 H 1.203 0.003 2 125 14 14 LEU HG H 1.912 0.003 1 126 14 14 LEU N N 122.813 0.027 1 127 15 15 ARG C C 176.311 . 1 128 15 15 ARG CA C 60.367 0.005 1 129 15 15 ARG CB C 30.510 . 1 130 15 15 ARG H H 7.820 0.006 1 131 15 15 ARG HA H 4.037 . 1 132 15 15 ARG N N 118.227 0.033 1 133 16 16 SER C C 174.263 . 1 134 16 16 SER CA C 61.634 0.139 1 135 16 16 SER CB C 62.814 0.104 1 136 16 16 SER H H 8.415 0.004 1 137 16 16 SER HA H 4.097 0.003 1 138 16 16 SER HB2 H 3.988 0.001 2 139 16 16 SER HB3 H 3.916 . 2 140 16 16 SER N N 112.682 0.02 1 141 17 17 HIS C C 174.784 . 1 142 17 17 HIS CA C 59.306 0.003 1 143 17 17 HIS CB C 29.490 0.112 1 144 17 17 HIS H H 7.976 0.004 1 145 17 17 HIS HA H 4.382 . 1 146 17 17 HIS HB2 H 3.508 . 2 147 17 17 HIS HB3 H 3.340 . 2 148 17 17 HIS N N 122.190 0.029 1 149 18 18 LEU C C 176.421 . 1 150 18 18 LEU CA C 58.277 0.054 1 151 18 18 LEU CB C 40.462 0.073 1 152 18 18 LEU H H 8.214 0.011 1 153 18 18 LEU HB2 H 2.168 . 2 154 18 18 LEU HB3 H 1.398 . 2 155 18 18 LEU N N 121.046 0.056 1 156 19 19 VAL C C 175.194 . 1 157 19 19 VAL CA C 67.682 0.058 1 158 19 19 VAL CB C 31.493 0.049 1 159 19 19 VAL CG1 C 21.504 0.002 2 160 19 19 VAL CG2 C 23.912 0.01 2 161 19 19 VAL H H 8.293 0.005 1 162 19 19 VAL HA H 3.432 0.003 1 163 19 19 VAL HB H 2.255 0.003 1 164 19 19 VAL HG1 H 0.852 0.001 2 165 19 19 VAL HG2 H 1.035 0.004 2 166 19 19 VAL N N 119.781 0.051 1 167 20 20 HIS C C 174.757 . 1 168 20 20 HIS CA C 59.454 0.048 1 169 20 20 HIS CB C 29.401 0.05 1 170 20 20 HIS H H 7.925 0.013 1 171 20 20 HIS HA H 4.225 0.007 1 172 20 20 HIS HB2 H 3.358 0.006 2 173 20 20 HIS HB3 H 3.265 . 2 174 20 20 HIS N N 117.435 0.054 1 175 21 21 LYS C C 176.568 . 1 176 21 21 LYS CA C 58.880 0.064 1 177 21 21 LYS CB C 31.872 0.02 1 178 21 21 LYS CE C 41.840 . 1 179 21 21 LYS CG C 24.701 . 1 180 21 21 LYS H H 8.117 0.008 1 181 21 21 LYS N N 119.141 0.015 1 182 22 22 LEU C C 175.272 . 1 183 22 22 LEU CA C 58.739 0.028 1 184 22 22 LEU CB C 42.453 0.041 1 185 22 22 LEU CD1 C 26.062 0.001 2 186 22 22 LEU CD2 C 24.776 . 2 187 22 22 LEU H H 8.002 0.01 1 188 22 22 LEU HA H 3.958 . 1 189 22 22 LEU HB2 H 2.092 . 2 190 22 22 LEU HB3 H 1.506 . 2 191 22 22 LEU N N 121.242 0.024 1 192 23 23 VAL C C 175.117 . 1 193 23 23 VAL CA C 67.536 0.011 1 194 23 23 VAL CB C 31.651 0.07 1 195 23 23 VAL CG1 C 21.758 0.031 2 196 23 23 VAL CG2 C 24.130 0.01 2 197 23 23 VAL H H 8.026 0.015 1 198 23 23 VAL HA H 3.413 . 1 199 23 23 VAL HB H 2.266 0.001 1 200 23 23 VAL HG1 H 0.973 0.001 2 201 23 23 VAL HG2 H 1.017 . 2 202 23 23 VAL N N 117.765 0.113 1 203 24 24 GLN C C 174.282 . 1 204 24 24 GLN CA C 57.716 0.08 1 205 24 24 GLN CB C 28.983 0.043 1 206 24 24 GLN CD C 177.520 0.003 1 207 24 24 GLN CG C 34.339 0.004 1 208 24 24 GLN H H 8.143 0.006 1 209 24 24 GLN HE21 H 6.891 0.005 1 210 24 24 GLN HE22 H 7.160 0.002 1 211 24 24 GLN HG2 H 2.326 . 2 212 24 24 GLN HG3 H 2.263 . 2 213 24 24 GLN N N 116.235 0.058 1 214 24 24 GLN NE2 N 111.458 0.012 1 215 25 25 ALA C C 175.177 . 1 216 25 25 ALA CA C 53.869 0.051 1 217 25 25 ALA CB C 19.010 0.046 1 218 25 25 ALA H H 7.545 0.006 1 219 25 25 ALA HA H 4.101 0.002 1 220 25 25 ALA HB H 1.533 0.002 1 221 25 25 ALA N N 119.406 0.024 1 222 26 26 ILE C C 172.291 . 1 223 26 26 ILE CA C 62.915 0.07 1 224 26 26 ILE CB C 39.115 0.068 1 225 26 26 ILE CD1 C 14.206 0.08 1 226 26 26 ILE CG2 C 18.466 0.069 1 227 26 26 ILE H H 7.425 0.008 1 228 26 26 ILE HA H 3.812 . 1 229 26 26 ILE HB H 1.845 0.005 1 230 26 26 ILE HD1 H 0.868 0.003 1 231 26 26 ILE HG2 H 0.786 0.009 1 232 26 26 ILE N N 115.141 0.032 1 233 27 27 PHE CA C 54.670 0.019 1 234 27 27 PHE CB C 40.843 0.046 1 235 27 27 PHE H H 8.289 0.004 1 236 27 27 PHE HA H 4.934 . 1 237 27 27 PHE HB2 H 3.085 . 2 238 27 27 PHE HB3 H 2.612 0.005 2 239 27 27 PHE N N 119.419 0.138 1 240 28 28 PRO C C 174.435 . 1 241 28 28 PRO CA C 63.718 0.064 1 242 28 28 PRO CB C 31.559 0.063 1 243 28 28 PRO CD C 50.154 0.013 1 244 28 28 PRO CG C 27.112 0.058 1 245 28 28 PRO HA H 4.501 0.003 1 246 28 28 PRO HB2 H 2.198 0.003 2 247 28 28 PRO HB3 H 1.867 0.001 2 248 28 28 PRO HD2 H 3.388 0.005 2 249 28 28 PRO HD3 H 3.384 0.006 2 250 28 28 PRO HG2 H 1.903 0.013 1 251 29 29 THR CA C 58.361 0.056 1 252 29 29 THR CB C 69.875 0.045 1 253 29 29 THR CG2 C 21.114 0.032 1 254 29 29 THR H H 8.000 0.005 1 255 29 29 THR HA H 4.595 0.003 1 256 29 29 THR HB H 4.061 0.002 1 257 29 29 THR HG2 H 1.117 0.002 1 258 29 29 THR N N 115.250 0.05 1 259 30 30 PRO C C 173.475 . 1 260 30 30 PRO CA C 63.526 0.058 1 261 30 30 PRO CB C 31.889 . 1 262 30 30 PRO CD C 50.771 0.017 1 263 30 30 PRO CG C 27.073 . 1 264 30 30 PRO HA H 4.341 . 1 265 30 30 PRO HD2 H 3.615 0.002 2 266 30 30 PRO HD3 H 3.702 0.015 2 267 31 31 ASP CA C 51.340 0.037 1 268 31 31 ASP CB C 41.994 0.035 1 269 31 31 ASP H H 7.905 0.009 1 270 31 31 ASP HA H 4.929 0.003 1 271 31 31 ASP HB2 H 2.614 0.007 2 272 31 31 ASP HB3 H 2.818 . 2 273 31 31 ASP N N 119.712 0.046 1 274 32 32 PRO C C 175.404 . 1 275 32 32 PRO CA C 64.646 0.042 1 276 32 32 PRO CB C 32.000 0.01 1 277 32 32 PRO CD C 50.976 0.023 1 278 32 32 PRO CG C 27.326 . 1 279 32 32 PRO HA H 4.195 0.003 1 280 32 32 PRO HD2 H 3.900 0.001 1 281 33 33 ALA C C 176.552 . 1 282 33 33 ALA CA C 53.814 0.045 1 283 33 33 ALA CB C 18.411 0.077 1 284 33 33 ALA H H 8.314 0.006 1 285 33 33 ALA HA H 4.150 0.004 1 286 33 33 ALA HB H 1.417 0.004 1 287 33 33 ALA N N 120.808 0.018 1 288 34 34 ALA C C 175.617 . 1 289 34 34 ALA CA C 53.597 0.053 1 290 34 34 ALA CB C 18.981 0.116 1 291 34 34 ALA H H 7.780 0.004 1 292 34 34 ALA HA H 4.231 0.007 1 293 34 34 ALA HB H 1.507 0.011 1 294 34 34 ALA N N 120.910 0.013 1 295 35 35 LEU C C 174.794 . 1 296 35 35 LEU CA C 56.137 0.042 1 297 35 35 LEU CB C 41.604 0.025 1 298 35 35 LEU CD1 C 25.123 0.043 1 299 35 35 LEU H H 7.516 0.013 1 300 35 35 LEU HA H 4.143 0.005 1 301 35 35 LEU HD1 H 0.876 0.005 1 302 35 35 LEU N N 116.262 0.106 1 303 36 36 LYS C C 173.495 . 1 304 36 36 LYS CA C 56.122 0.023 1 305 36 36 LYS CB C 32.610 0.036 1 306 36 36 LYS CD C 29.216 0.003 1 307 36 36 LYS CE C 42.101 0.001 1 308 36 36 LYS CG C 24.859 0.051 1 309 36 36 LYS H H 7.681 0.017 1 310 36 36 LYS HA H 4.297 0.003 1 311 36 36 LYS HB2 H 1.929 0.004 2 312 36 36 LYS HB3 H 1.786 0.002 2 313 36 36 LYS HD2 H 1.680 0.003 1 314 36 36 LYS HE2 H 2.983 0.002 1 315 36 36 LYS HG2 H 1.400 0.003 2 316 36 36 LYS HG3 H 1.442 0.002 2 317 36 36 LYS N N 118.072 0.112 1 318 37 37 ASP C C 174.643 . 1 319 37 37 ASP CA C 54.331 0.036 1 320 37 37 ASP CB C 42.577 0.063 1 321 37 37 ASP H H 7.718 0.015 1 322 37 37 ASP HA H 4.557 0.005 1 323 37 37 ASP HB2 H 2.773 0.003 1 324 37 37 ASP N N 120.971 0.041 1 325 38 38 ARG C C 175.150 . 1 326 38 38 ARG CA C 58.195 . 1 327 38 38 ARG CB C 29.749 . 1 328 38 38 ARG CD C 43.179 . 1 329 38 38 ARG H H 8.691 0.015 1 330 38 38 ARG N N 124.540 0.127 1 331 39 39 ARG C C 175.555 . 1 332 39 39 ARG CA C 58.609 0.035 1 333 39 39 ARG CB C 30.012 0.004 1 334 39 39 ARG CD C 43.412 0.054 1 335 39 39 ARG CG C 27.461 0.002 1 336 39 39 ARG H H 8.803 0.023 1 337 39 39 ARG HA H 4.170 . 1 338 39 39 ARG HB2 H 1.830 . 1 339 39 39 ARG HD2 H 3.198 0.013 1 340 39 39 ARG HG2 H 1.691 0.002 1 341 39 39 ARG N N 119.209 0.073 1 342 40 40 MET C C 174.937 . 1 343 40 40 MET CA C 56.061 0.07 1 344 40 40 MET CB C 31.622 . 1 345 40 40 MET CE C 17.310 0.069 1 346 40 40 MET CG C 32.687 0.05 1 347 40 40 MET H H 8.006 0.01 1 348 40 40 MET HA H 4.434 0.029 1 349 40 40 MET HB2 H 2.031 . 1 350 40 40 MET HE H 1.854 0.005 1 351 40 40 MET HG2 H 2.623 0.004 2 352 40 40 MET HG3 H 2.432 0.004 2 353 40 40 MET N N 117.058 0.082 1 354 41 41 GLU C C 176.383 . 1 355 41 41 GLU CA C 59.984 0.02 1 356 41 41 GLU CB C 29.391 0.013 1 357 41 41 GLU CG C 36.344 0.003 1 358 41 41 GLU H H 7.988 0.007 1 359 41 41 GLU HA H 3.970 0.003 1 360 41 41 GLU HB2 H 2.044 0.002 1 361 41 41 GLU HG2 H 2.353 0.001 1 362 41 41 GLU N N 119.590 0.026 1 363 42 42 ASN C C 174.860 . 1 364 42 42 ASN CA C 55.874 0.096 1 365 42 42 ASN CB C 37.863 0.049 1 366 42 42 ASN CG C 172.938 0.004 1 367 42 42 ASN H H 8.382 0.01 1 368 42 42 ASN HA H 4.576 . 1 369 42 42 ASN HB2 H 2.759 0.007 2 370 42 42 ASN HB3 H 2.916 0.014 2 371 42 42 ASN HD21 H 6.964 0.002 1 372 42 42 ASN HD22 H 7.613 0.008 1 373 42 42 ASN N N 117.620 0.029 1 374 42 42 ASN ND2 N 112.089 0.001 1 375 43 43 LEU C C 175.426 . 1 376 43 43 LEU CA C 58.180 0.001 1 377 43 43 LEU CB C 41.665 0.047 1 378 43 43 LEU CD1 C 23.067 0.055 2 379 43 43 LEU CD2 C 25.311 0.012 2 380 43 43 LEU CG C 27.499 0.006 1 381 43 43 LEU H H 7.834 0.012 1 382 43 43 LEU HA H 4.146 . 1 383 43 43 LEU HB2 H 1.786 0.004 2 384 43 43 LEU HB3 H 1.708 . 2 385 43 43 LEU HD1 H 0.770 0.004 2 386 43 43 LEU HD2 H 1.007 0.004 2 387 43 43 LEU HG H 1.973 0.001 1 388 43 43 LEU N N 122.735 0.092 1 389 44 44 VAL C C 174.791 . 1 390 44 44 VAL CA C 66.858 0.027 1 391 44 44 VAL CB C 31.739 0.057 1 392 44 44 VAL CG1 C 21.448 0.001 2 393 44 44 VAL CG2 C 23.351 0.093 2 394 44 44 VAL H H 8.280 0.016 1 395 44 44 VAL HA H 3.452 0.003 1 396 44 44 VAL HB H 2.103 0.007 1 397 44 44 VAL HG1 H 0.917 0.001 2 398 44 44 VAL HG2 H 1.087 0.003 2 399 44 44 VAL N N 119.561 0.058 1 400 45 45 ALA C C 178.093 . 1 401 45 45 ALA CA C 55.404 0.04 1 402 45 45 ALA CB C 18.099 0.058 1 403 45 45 ALA H H 8.008 0.018 1 404 45 45 ALA HA H 4.048 0.002 1 405 45 45 ALA HB H 1.553 0.004 1 406 45 45 ALA N N 120.618 0.028 1 407 46 46 TYR C C 173.802 . 1 408 46 46 TYR CA C 61.271 0.08 1 409 46 46 TYR CB C 38.270 0.051 1 410 46 46 TYR H H 7.884 0.007 1 411 46 46 TYR HA H 4.234 0.007 1 412 46 46 TYR HB2 H 3.168 0.013 2 413 46 46 TYR HB3 H 3.294 0.004 2 414 46 46 TYR N N 120.055 0.023 1 415 47 47 ALA C C 176.308 . 1 416 47 47 ALA CA C 55.209 0.02 1 417 47 47 ALA CB C 20.363 0.045 1 418 47 47 ALA H H 8.439 0.01 1 419 47 47 ALA HA H 3.730 0.003 1 420 47 47 ALA HB H 1.551 0.005 1 421 47 47 ALA N N 122.100 0.049 1 422 48 48 LYS C C 177.389 . 1 423 48 48 LYS CA C 59.639 0.016 1 424 48 48 LYS CB C 32.908 0.025 1 425 48 48 LYS CD C 29.775 0.051 1 426 48 48 LYS CE C 41.896 0.041 1 427 48 48 LYS CG C 26.865 0.042 1 428 48 48 LYS H H 8.686 0.005 1 429 48 48 LYS HA H 4.023 . 1 430 48 48 LYS HB2 H 1.854 . 1 431 48 48 LYS HD2 H 1.645 . 1 432 48 48 LYS HE2 H 2.901 . 1 433 48 48 LYS HG2 H 1.385 . 1 434 48 48 LYS N N 115.885 0.027 1 435 49 49 LYS C C 175.845 . 1 436 49 49 LYS CA C 59.320 . 1 437 49 49 LYS CB C 32.081 . 1 438 49 49 LYS H H 7.802 0.004 1 439 49 49 LYS N N 123.427 0.048 1 440 50 50 VAL C C 175.778 . 1 441 50 50 VAL CA C 65.891 0.046 1 442 50 50 VAL CB C 31.749 0.051 1 443 50 50 VAL CG1 C 22.052 0.029 2 444 50 50 VAL CG2 C 22.005 0.031 2 445 50 50 VAL H H 8.039 0.006 1 446 50 50 VAL HA H 3.729 0.012 1 447 50 50 VAL HB H 1.907 0.005 1 448 50 50 VAL HG1 H 0.625 0.005 2 449 50 50 VAL HG2 H 0.842 0.003 2 450 50 50 VAL N N 119.000 0.007 1 451 51 51 GLU C C 175.948 . 1 452 51 51 GLU CA C 61.513 0.054 1 453 51 51 GLU CB C 28.775 0.083 1 454 51 51 GLU CG C 35.466 . 1 455 51 51 GLU H H 8.490 0.007 1 456 51 51 GLU HA H 3.888 0.008 1 457 51 51 GLU HB2 H 2.315 0.001 1 458 51 51 GLU HG2 H 2.370 . 1 459 51 51 GLU N N 120.292 0.043 1 460 52 52 GLY C C 173.883 . 1 461 52 52 GLY CA C 47.410 0.041 1 462 52 52 GLY H H 8.136 0.01 1 463 52 52 GLY HA2 H 3.917 . 2 464 52 52 GLY HA3 H 3.599 0.002 2 465 52 52 GLY N N 106.793 0.022 1 466 53 53 ASP C C 177.310 . 1 467 53 53 ASP CA C 57.070 0.032 1 468 53 53 ASP CB C 40.229 0.048 1 469 53 53 ASP H H 8.218 0.005 1 470 53 53 ASP HA H 4.578 0.003 1 471 53 53 ASP HB2 H 2.741 0.005 2 472 53 53 ASP HB3 H 2.955 0.012 2 473 53 53 ASP N N 122.526 0.032 1 474 54 54 MET C C 174.931 . 1 475 54 54 MET CA C 58.630 0.075 1 476 54 54 MET CB C 32.708 0.193 1 477 54 54 MET CE C 19.188 0.023 1 478 54 54 MET CG C 33.259 0.018 1 479 54 54 MET H H 8.128 0.006 1 480 54 54 MET HA H 4.415 0.007 1 481 54 54 MET HB2 H 1.943 . 1 482 54 54 MET HE H 2.019 0.004 1 483 54 54 MET HG2 H 2.853 0.002 2 484 54 54 MET HG3 H 2.739 0.01 2 485 54 54 MET N N 121.062 0.077 1 486 55 55 TYR C C 174.981 . 1 487 55 55 TYR CA C 62.021 0.075 1 488 55 55 TYR CB C 39.036 0.045 1 489 55 55 TYR H H 9.296 0.006 1 490 55 55 TYR HA H 4.328 . 1 491 55 55 TYR HB2 H 3.553 . 2 492 55 55 TYR HB3 H 3.101 . 2 493 55 55 TYR N N 121.458 0.055 1 494 56 56 GLU C C 175.597 . 1 495 56 56 GLU CA C 58.022 0.09 1 496 56 56 GLU CB C 30.162 0.044 1 497 56 56 GLU CG C 36.251 0.061 1 498 56 56 GLU H H 7.999 0.005 1 499 56 56 GLU HA H 4.263 . 1 500 56 56 GLU HB2 H 2.224 . 2 501 56 56 GLU HB3 H 2.162 . 2 502 56 56 GLU HG2 H 2.559 0.002 1 503 56 56 GLU N N 114.160 0.038 1 504 57 57 SER C C 172.720 . 1 505 57 57 SER CA C 60.353 0.038 1 506 57 57 SER CB C 64.474 0.025 1 507 57 57 SER H H 7.995 0.007 1 508 57 57 SER HA H 4.420 0.002 1 509 57 57 SER HB2 H 3.971 . 1 510 57 57 SER N N 112.647 0.021 1 511 58 58 ALA C C 175.387 . 1 512 58 58 ALA CA C 52.817 0.05 1 513 58 58 ALA CB C 19.563 0.052 1 514 58 58 ALA H H 8.228 0.006 1 515 58 58 ALA HA H 4.215 0.004 1 516 58 58 ALA HB H 1.598 0.006 1 517 58 58 ALA N N 124.046 0.021 1 518 59 59 ASN C C 171.305 . 1 519 59 59 ASN CA C 53.450 0.058 1 520 59 59 ASN CB C 40.241 0.048 1 521 59 59 ASN H H 9.174 0.005 1 522 59 59 ASN HA H 5.083 0.005 1 523 59 59 ASN HB2 H 2.967 0.011 2 524 59 59 ASN HB3 H 2.765 . 2 525 59 59 ASN HD21 H 7.056 . 1 526 59 59 ASN HD22 H 8.084 . 1 527 59 59 ASN N N 117.312 0.013 1 528 59 59 ASN ND2 N 116.477 0.002 1 529 60 60 SER C C 169.229 . 1 530 60 60 SER CA C 56.639 0.062 1 531 60 60 SER CB C 64.999 0.09 1 532 60 60 SER H H 6.914 0.006 1 533 60 60 SER HA H 3.728 . 1 534 60 60 SER HB2 H 3.935 . 1 535 60 60 SER N N 111.604 0.01 1 536 61 61 ARG C C 174.206 . 1 537 61 61 ARG CA C 58.960 0.03 1 538 61 61 ARG CB C 30.325 0.038 1 539 61 61 ARG CD C 43.768 0.01 1 540 61 61 ARG CG C 27.214 0.002 1 541 61 61 ARG H H 8.738 0.006 1 542 61 61 ARG HA H 3.201 0.011 1 543 61 61 ARG HB2 H 1.933 . 1 544 61 61 ARG HD2 H 3.358 0.003 1 545 61 61 ARG HG2 H 1.624 . 1 546 61 61 ARG N N 121.921 0.021 1 547 62 62 ASP C C 175.961 . 1 548 62 62 ASP CA C 57.268 0.088 1 549 62 62 ASP CB C 40.432 0.033 1 550 62 62 ASP H H 8.136 0.01 1 551 62 62 ASP HA H 4.320 0.003 1 552 62 62 ASP HB2 H 2.524 0.001 1 553 62 62 ASP N N 116.792 0.077 1 554 63 63 GLU C C 174.282 . 1 555 63 63 GLU CA C 59.410 0.045 1 556 63 63 GLU CB C 30.259 0.041 1 557 63 63 GLU CG C 36.723 0.003 1 558 63 63 GLU H H 7.740 0.005 1 559 63 63 GLU HA H 3.969 0.001 1 560 63 63 GLU HB2 H 1.894 . 1 561 63 63 GLU HG2 H 2.202 . 2 562 63 63 GLU HG3 H 2.333 0.001 2 563 63 63 GLU N N 121.041 0.059 1 564 64 64 TYR C C 173.286 . 1 565 64 64 TYR CA C 60.915 0.085 1 566 64 64 TYR CB C 38.912 0.062 1 567 64 64 TYR H H 7.330 0.007 1 568 64 64 TYR HA H 3.996 0.002 1 569 64 64 TYR HB2 H 2.826 . 2 570 64 64 TYR HB3 H 2.614 0.004 2 571 64 64 TYR N N 121.495 0.033 1 572 65 65 TYR C C 175.834 . 1 573 65 65 TYR CA C 60.211 0.008 1 574 65 65 TYR CB C 37.657 0.078 1 575 65 65 TYR H H 8.145 0.005 1 576 65 65 TYR HA H 3.988 . 1 577 65 65 TYR HB2 H 3.098 . 2 578 65 65 TYR HB3 H 2.975 . 2 579 65 65 TYR N N 115.818 0.018 1 580 66 66 HIS C C 174.608 . 1 581 66 66 HIS CA C 59.941 0.055 1 582 66 66 HIS CB C 28.922 0.11 1 583 66 66 HIS H H 8.306 0.006 1 584 66 66 HIS HA H 4.255 . 1 585 66 66 HIS HB2 H 3.365 0.02 1 586 66 66 HIS N N 118.083 0.151 1 587 67 67 LEU C C 178.049 . 1 588 67 67 LEU CA C 57.893 0.009 1 589 67 67 LEU CB C 42.057 0.055 1 590 67 67 LEU CD1 C 22.432 0.075 2 591 67 67 LEU CD2 C 25.967 0.07 2 592 67 67 LEU CG C 27.315 . 1 593 67 67 LEU H H 9.026 0.009 1 594 67 67 LEU HA H 4.022 0.001 1 595 67 67 LEU HB2 H 2.084 0.004 1 596 67 67 LEU HD1 H 0.971 0.001 2 597 67 67 LEU HD2 H 1.013 0.001 2 598 67 67 LEU HG H 2.031 0.001 1 599 67 67 LEU N N 120.446 0.032 1 600 68 68 LEU C C 175.447 . 1 601 68 68 LEU CA C 57.827 0.094 1 602 68 68 LEU CB C 41.849 0.079 1 603 68 68 LEU CD1 C 25.850 0.039 2 604 68 68 LEU CD2 C 24.817 0.036 2 605 68 68 LEU CG C 27.645 0.082 1 606 68 68 LEU H H 7.837 0.01 1 607 68 68 LEU HA H 3.864 0.008 1 608 68 68 LEU HB2 H 1.772 0.002 2 609 68 68 LEU HB3 H 1.297 . 2 610 68 68 LEU HD1 H 0.569 0.004 2 611 68 68 LEU HD2 H 0.760 0.005 2 612 68 68 LEU HG H 1.609 0.003 1 613 68 68 LEU N N 120.781 0.038 1 614 69 69 ALA C C 177.256 . 1 615 69 69 ALA CA C 55.428 0.102 1 616 69 69 ALA CB C 18.107 0.03 1 617 69 69 ALA H H 8.279 0.023 1 618 69 69 ALA HA H 3.837 0.003 1 619 69 69 ALA HB H 1.351 0.011 1 620 69 69 ALA N N 121.001 0.054 1 621 70 70 GLU C C 175.878 . 1 622 70 70 GLU CA C 59.357 0.049 1 623 70 70 GLU CB C 29.784 0.064 1 624 70 70 GLU CG C 36.704 0.011 1 625 70 70 GLU H H 8.358 0.016 1 626 70 70 GLU HA H 3.992 . 1 627 70 70 GLU HB2 H 2.050 . 2 628 70 70 GLU HB3 H 1.896 . 2 629 70 70 GLU HG2 H 2.137 . 2 630 70 70 GLU HG3 H 2.276 . 2 631 70 70 GLU N N 117.537 0.062 1 632 71 71 LYS C C 175.537 . 1 633 71 71 LYS CA C 58.103 0.056 1 634 71 71 LYS CB C 31.840 0.008 1 635 71 71 LYS CE C 42.195 0.001 1 636 71 71 LYS CG C 24.583 0.003 1 637 71 71 LYS H H 7.844 0.009 1 638 71 71 LYS HA H 4.158 . 1 639 71 71 LYS HB2 H 1.998 . 1 640 71 71 LYS HE2 H 2.967 . 1 641 71 71 LYS HG2 H 1.453 . 1 642 71 71 LYS N N 120.094 0.133 1 643 72 72 ILE C C 174.447 . 1 644 72 72 ILE CA C 65.840 0.022 1 645 72 72 ILE CB C 37.823 0.064 1 646 72 72 ILE CD1 C 13.580 0.119 1 647 72 72 ILE CG1 C 30.826 0.019 1 648 72 72 ILE CG2 C 17.398 0.024 1 649 72 72 ILE H H 8.278 0.005 1 650 72 72 ILE HA H 3.489 0.002 1 651 72 72 ILE HB H 1.872 0.01 1 652 72 72 ILE HD1 H 0.723 0.004 1 653 72 72 ILE HG12 H 1.792 0.002 2 654 72 72 ILE HG13 H 0.902 0.002 2 655 72 72 ILE HG2 H 0.834 0.001 1 656 72 72 ILE N N 118.949 0.039 1 657 73 73 TYR C C 174.990 . 1 658 73 73 TYR CA C 61.003 0.004 1 659 73 73 TYR CB C 38.200 0.055 1 660 73 73 TYR H H 8.128 0.017 1 661 73 73 TYR HA H 4.282 . 1 662 73 73 TYR HB2 H 3.153 . 1 663 73 73 TYR N N 119.386 0.011 1 664 74 74 LYS C C 176.887 . 1 665 74 74 LYS CA C 59.871 0.018 1 666 74 74 LYS CB C 32.805 . 1 667 74 74 LYS CD C 29.669 . 1 668 74 74 LYS CE C 42.123 0.104 1 669 74 74 LYS CG C 25.761 . 1 670 74 74 LYS H H 8.228 0.005 1 671 74 74 LYS HE2 H 2.995 0.012 1 672 74 74 LYS N N 118.962 0.05 1 673 75 75 ILE C C 174.947 . 1 674 75 75 ILE CA C 65.434 0.03 1 675 75 75 ILE CB C 38.268 0.028 1 676 75 75 ILE CD1 C 14.202 . 1 677 75 75 ILE CG1 C 29.136 0.025 1 678 75 75 ILE CG2 C 17.778 0.136 1 679 75 75 ILE H H 8.401 0.015 1 680 75 75 ILE HA H 3.688 0.004 1 681 75 75 ILE HB H 1.930 0.004 1 682 75 75 ILE HD1 H 0.859 0.016 1 683 75 75 ILE HG12 H 1.844 . 2 684 75 75 ILE HG13 H 1.005 0.002 2 685 75 75 ILE HG2 H 0.844 0.001 1 686 75 75 ILE N N 120.602 0.041 1 687 76 76 GLN C C 176.673 . 1 688 76 76 GLN CA C 59.658 0.061 1 689 76 76 GLN CB C 28.533 0.027 1 690 76 76 GLN CD C 176.911 0.008 1 691 76 76 GLN CG C 34.511 0.003 1 692 76 76 GLN H H 8.343 0.007 1 693 76 76 GLN HA H 3.953 . 1 694 76 76 GLN HB2 H 2.023 . 1 695 76 76 GLN HE21 H 6.680 0.008 1 696 76 76 GLN HE22 H 7.300 0.009 1 697 76 76 GLN HG2 H 2.646 0.005 2 698 76 76 GLN HG3 H 2.346 0.001 2 699 76 76 GLN N N 118.178 0.059 1 700 76 76 GLN NE2 N 110.428 0.006 1 701 77 77 LYS C C 176.419 . 1 702 77 77 LYS CA C 58.566 0.07 1 703 77 77 LYS CB C 31.893 0.023 1 704 77 77 LYS CD C 28.445 0.122 1 705 77 77 LYS CE C 41.766 0.011 1 706 77 77 LYS CG C 24.217 0.068 1 707 77 77 LYS H H 8.159 0.006 1 708 77 77 LYS HA H 3.982 0.001 1 709 77 77 LYS HB2 H 1.745 0.002 1 710 77 77 LYS HD2 H 1.564 0.004 1 711 77 77 LYS HE2 H 2.921 0.001 2 712 77 77 LYS HE3 H 2.827 0.001 2 713 77 77 LYS HG2 H 1.273 0.004 1 714 77 77 LYS N N 119.377 0.056 1 715 78 78 GLU C C 176.831 . 1 716 78 78 GLU CA C 59.240 0.046 1 717 78 78 GLU CB C 29.475 0.076 1 718 78 78 GLU CG C 36.422 . 1 719 78 78 GLU H H 8.156 0.005 1 720 78 78 GLU N N 120.567 0.042 1 721 79 79 LEU C C 176.753 . 1 722 79 79 LEU CA C 57.704 0.054 1 723 79 79 LEU CB C 41.452 0.019 1 724 79 79 LEU CD1 C 23.396 0.069 2 725 79 79 LEU CD2 C 26.380 0.065 2 726 79 79 LEU CG C 27.264 . 1 727 79 79 LEU H H 8.351 0.008 1 728 79 79 LEU HD1 H 0.887 0.003 2 729 79 79 LEU HD2 H 0.981 0.003 2 730 79 79 LEU N N 119.450 0.051 1 731 80 80 GLU C C 176.340 . 1 732 80 80 GLU CA C 59.156 0.017 1 733 80 80 GLU CB C 29.407 0.052 1 734 80 80 GLU CG C 36.227 0.004 1 735 80 80 GLU H H 8.010 0.005 1 736 80 80 GLU HA H 4.072 0.001 1 737 80 80 GLU HB2 H 2.107 0.001 2 738 80 80 GLU HB3 H 2.183 0.002 2 739 80 80 GLU HG2 H 2.311 0.004 1 740 80 80 GLU N N 120.156 0.03 1 741 81 81 GLU CA C 58.483 . 1 742 81 81 GLU CB C 32.395 . 1 743 81 81 GLU CG C 36.218 0.024 1 744 81 81 GLU H H 8.000 0.006 1 745 81 81 GLU HG2 H 2.406 0.004 2 746 81 81 GLU HG3 H 2.289 0.002 2 747 81 81 GLU N N 119.137 0.008 1 748 82 82 LYS C C 176.072 . 1 749 82 82 LYS CA C 58.271 0.041 1 750 82 82 LYS CB C 32.400 0.019 1 751 82 82 LYS CD C 29.038 0.018 1 752 82 82 LYS CE C 42.256 0.001 1 753 82 82 LYS CG C 25.241 0.002 1 754 82 82 LYS HA H 4.126 0.005 1 755 82 82 LYS HB2 H 1.942 . 1 756 82 82 LYS HD2 H 1.663 0.001 1 757 82 82 LYS HE2 H 2.976 . 1 758 82 82 LYS HG2 H 1.529 0.001 1 759 83 83 ARG C C 175.165 . 1 760 83 83 ARG CA C 58.269 0.004 1 761 83 83 ARG CB C 30.508 0.022 1 762 83 83 ARG CD C 43.593 . 1 763 83 83 ARG CG C 27.830 . 1 764 83 83 ARG H H 8.015 0.001 1 765 83 83 ARG N N 119.088 0.019 1 766 84 84 ARG C C 174.443 . 1 767 84 84 ARG CA C 57.418 0.293 1 768 84 84 ARG CB C 30.591 0.033 1 769 84 84 ARG CD C 43.438 0.107 1 770 84 84 ARG CG C 27.295 . 1 771 84 84 ARG H H 7.937 0.004 1 772 84 84 ARG HA H 4.210 0.021 1 773 84 84 ARG HB2 H 1.911 . 1 774 84 84 ARG HD2 H 3.210 0.005 1 775 84 84 ARG HG2 H 1.699 . 2 776 84 84 ARG HG3 H 1.767 . 2 777 84 84 ARG N N 119.010 0.027 1 778 85 85 SER C C 171.596 . 1 779 85 85 SER CA C 59.083 0.02 1 780 85 85 SER CB C 63.640 0.079 1 781 85 85 SER H H 7.984 0.006 1 782 85 85 SER HA H 4.418 . 1 783 85 85 SER HB2 H 3.958 0.001 1 784 85 85 SER HB3 H 3.958 0.001 1 785 85 85 SER N N 115.074 0.032 1 786 86 86 ARG C C 172.527 . 1 787 86 86 ARG CA C 56.080 0.001 1 788 86 86 ARG CB C 30.730 0.009 1 789 86 86 ARG CD C 43.483 . 1 790 86 86 ARG CG C 27.081 . 1 791 86 86 ARG H H 7.913 0.007 1 792 86 86 ARG HA H 4.401 . 1 793 86 86 ARG HB2 H 1.798 . 2 794 86 86 ARG HB3 H 1.963 . 2 795 86 86 ARG HD2 H 3.202 . 1 796 86 86 ARG HG2 H 1.679 0.001 1 797 86 86 ARG N N 122.243 0.013 1 798 87 87 LEU CA C 56.693 . 1 799 87 87 LEU CB C 43.344 0.003 1 800 87 87 LEU CD1 C 25.028 . 1 801 87 87 LEU H H 7.706 0.004 1 802 87 87 LEU HA H 4.183 . 1 803 87 87 LEU HB2 H 1.584 . 1 804 87 87 LEU HB3 H 1.584 . 1 805 87 87 LEU HD1 H 0.914 . 1 806 87 87 LEU N N 128.249 0.012 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/5g63/ebi/shifts_chainB.str.csh' loop_ _Software_label $CNS stop_ loop_ _Experiment_label '1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'TRANSCRIPTION FACTOR P65' _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 1 519 1 GLY HA2 H 3.879 0.000 1 2 519 1 GLY CA C 43.653 0.000 1 3 521 3 PRO HA H 4.420 0.000 1 4 521 3 PRO HB2 H 2.248 0.000 2 5 521 3 PRO HB3 H 1.873 0.000 2 6 521 3 PRO HG2 H 2.023 0.000 1 7 521 3 PRO HD2 H 3.841 0.000 2 8 521 3 PRO HD3 H 3.741 0.000 2 9 521 3 PRO C C 177.233 0.000 1 10 521 3 PRO CA C 63.919 0.000 1 11 521 3 PRO CB C 32.259 0.003 1 12 521 3 PRO CG C 27.658 0.000 1 13 521 3 PRO CD C 51.023 0.004 1 14 522 4 GLY H H 8.335 0.000 1 15 522 4 GLY HA2 H 3.838 0.000 1 16 522 4 GLY HA3 H 3.838 0.000 1 17 522 4 GLY C C 173.320 0.000 1 18 522 4 GLY CA C 45.250 0.000 1 19 522 4 GLY N N 108.945 0.000 1 20 523 5 TYR H H 7.976 0.000 1 21 523 5 TYR HA H 4.817 0.000 1 22 523 5 TYR HB2 H 3.024 0.000 2 23 523 5 TYR HB3 H 2.828 0.000 2 24 523 5 TYR HD1 H 7.108 0.012 1 25 523 5 TYR HD2 H 7.108 0.012 1 26 523 5 TYR HE1 H 6.823 0.010 1 27 523 5 TYR HE2 H 6.823 0.010 1 28 523 5 TYR CA C 56.044 0.000 1 29 523 5 TYR CB C 38.620 0.000 1 30 523 5 TYR CD1 C 133.401 0.003 1 31 523 5 TYR CD2 C 133.401 0.003 1 32 523 5 TYR CE1 C 118.150 0.046 1 33 523 5 TYR CE2 C 118.150 0.046 1 34 523 5 TYR N N 120.471 0.000 1 35 524 6 PRO HA H 4.427 0.000 1 36 524 6 PRO HB2 H 2.258 0.000 2 37 524 6 PRO HB3 H 1.928 0.000 2 38 524 6 PRO HG2 H 1.966 0.006 1 39 524 6 PRO HD2 H 3.495 0.002 2 40 524 6 PRO HD3 H 3.700 0.005 2 41 524 6 PRO C C 176.761 0.000 1 42 524 6 PRO CA C 63.784 0.000 1 43 524 6 PRO CB C 32.165 0.004 1 44 524 6 PRO CG C 27.666 0.008 1 45 524 6 PRO CD C 50.855 0.035 1 46 525 7 ASN H H 8.435 0.000 1 47 525 7 ASN HA H 4.690 0.000 1 48 525 7 ASN HB2 H 2.806 0.000 2 49 525 7 ASN HB3 H 2.867 0.000 2 50 525 7 ASN HD21 H 6.933 0.000 1 51 525 7 ASN HD22 H 7.623 0.000 1 52 525 7 ASN C C 175.853 0.000 1 53 525 7 ASN CA C 53.743 0.000 1 54 525 7 ASN CB C 39.237 0.005 1 55 525 7 ASN N N 118.346 0.000 1 56 525 7 ASN ND2 N 113.030 0.002 1 57 526 8 GLY H H 8.322 0.000 1 58 526 8 GLY HA2 H 3.949 0.000 1 59 526 8 GLY HA3 H 3.949 0.000 1 60 526 8 GLY C C 174.113 0.000 1 61 526 8 GLY CA C 45.822 0.000 1 62 526 8 GLY N N 108.894 0.000 1 63 527 9 LEU H H 8.039 0.000 1 64 527 9 LEU HA H 4.313 0.002 1 65 527 9 LEU HB2 H 1.578 0.001 2 66 527 9 LEU HB3 H 1.622 0.000 2 67 527 9 LEU HG H 1.571 0.002 1 68 527 9 LEU HD1 H 0.853 0.005 2 69 527 9 LEU HD2 H 0.808 0.000 2 70 527 9 LEU C C 177.315 0.000 1 71 527 9 LEU CA C 55.718 0.029 1 72 527 9 LEU CB C 42.685 0.000 1 73 527 9 LEU CG C 27.340 0.028 1 74 527 9 LEU CD1 C 25.301 0.030 2 75 527 9 LEU CD2 C 24.131 0.000 2 76 527 9 LEU N N 121.363 0.000 1 77 528 10 LEU H H 8.196 0.000 1 78 528 10 LEU HA H 4.388 0.004 1 79 528 10 LEU HB2 H 1.657 0.000 2 80 528 10 LEU HB3 H 1.584 0.000 2 81 528 10 LEU HG H 1.551 0.000 1 82 528 10 LEU HD1 H 0.850 0.000 1 83 528 10 LEU C C 177.314 0.000 1 84 528 10 LEU CA C 55.176 0.000 1 85 528 10 LEU CB C 42.404 0.000 1 86 528 10 LEU CG C 27.306 0.000 1 87 528 10 LEU N N 121.599 0.000 1 88 529 11 SER H H 8.343 0.000 1 89 529 11 SER HA H 4.412 0.000 1 90 529 11 SER HB2 H 3.839 0.000 2 91 529 11 SER HB3 H 3.895 0.000 2 92 529 11 SER C C 175.120 0.000 1 93 529 11 SER CA C 58.758 0.000 1 94 529 11 SER CB C 64.253 0.000 1 95 529 11 SER N N 116.238 0.000 1 96 530 12 GLY H H 8.483 0.000 1 97 530 12 GLY HA2 H 4.002 0.000 1 98 530 12 GLY HA3 H 4.002 0.000 1 99 530 12 GLY C C 173.964 0.000 1 100 530 12 GLY CA C 45.743 0.000 1 101 530 12 GLY N N 111.083 0.000 1 102 531 13 ASP H H 8.204 0.000 1 103 531 13 ASP HA H 4.597 0.000 1 104 531 13 ASP HB2 H 2.697 0.000 2 105 531 13 ASP HB3 H 2.614 0.000 2 106 531 13 ASP C C 176.425 0.000 1 107 531 13 ASP CA C 54.776 0.000 1 108 531 13 ASP CB C 41.585 0.004 1 109 531 13 ASP N N 120.443 0.060 1 110 532 14 GLU H H 8.409 0.000 1 111 532 14 GLU HA H 4.161 0.001 1 112 532 14 GLU HB2 H 1.904 0.002 2 113 532 14 GLU HB3 H 1.867 0.003 2 114 532 14 GLU HG2 H 2.188 0.005 2 115 532 14 GLU HG3 H 2.197 0.000 2 116 532 14 GLU C C 176.059 0.000 1 117 532 14 GLU CA C 57.222 0.026 1 118 532 14 GLU CB C 30.422 0.002 1 119 532 14 GLU CG C 36.587 0.000 1 120 532 14 GLU N N 120.801 0.000 1 121 533 15 ASP H H 8.258 0.000 1 122 533 15 ASP HA H 4.586 0.000 1 123 533 15 ASP HB2 H 2.702 0.000 2 124 533 15 ASP HB3 H 2.593 0.000 2 125 533 15 ASP C C 176.332 0.000 1 126 533 15 ASP CA C 54.372 0.000 1 127 533 15 ASP CB C 41.489 0.005 1 128 533 15 ASP N N 120.720 0.000 1 129 534 16 PHE H H 8.281 0.000 1 130 534 16 PHE HA H 4.535 0.009 1 131 534 16 PHE HB2 H 3.185 0.006 2 132 534 16 PHE HB3 H 3.011 0.003 2 133 534 16 PHE HD1 H 7.194 0.010 1 134 534 16 PHE HD2 H 7.194 0.010 1 135 534 16 PHE C C 176.266 0.000 1 136 534 16 PHE CA C 58.464 0.016 1 137 534 16 PHE CB C 39.342 0.033 1 138 534 16 PHE CD1 C 130.886 0.000 1 139 534 16 PHE CD2 C 130.886 0.000 1 140 534 16 PHE N N 121.431 0.000 1 141 535 17 SER H H 8.317 0.000 1 142 535 17 SER HA H 4.315 0.005 1 143 535 17 SER HB2 H 3.881 0.000 2 144 535 17 SER HB3 H 3.913 0.000 2 145 535 17 SER C C 174.988 0.000 1 146 535 17 SER CA C 59.902 0.028 1 147 535 17 SER CB C 63.875 0.000 1 148 535 17 SER N N 116.574 0.000 1 149 536 18 SER H H 8.194 0.000 1 150 536 18 SER HA H 4.467 0.000 1 151 536 18 SER HB2 H 3.840 0.000 2 152 536 18 SER HB3 H 3.886 0.000 2 153 536 18 SER C C 175.068 0.000 1 154 536 18 SER CA C 59.094 0.000 1 155 536 18 SER CB C 64.130 0.000 1 156 536 18 SER N N 117.138 0.000 1 157 537 19 ILE H H 7.886 0.000 1 158 537 19 ILE HA H 4.138 0.005 1 159 537 19 ILE HB H 1.897 0.005 1 160 537 19 ILE HG12 H 1.450 0.002 2 161 537 19 ILE HG13 H 1.162 0.002 2 162 537 19 ILE HG2 H 0.881 0.015 1 163 537 19 ILE HD1 H 0.811 0.002 1 164 537 19 ILE C C 176.300 0.000 1 165 537 19 ILE CA C 61.967 0.041 1 166 537 19 ILE CB C 38.919 0.022 1 167 537 19 ILE CG1 C 27.869 0.001 1 168 537 19 ILE CG2 C 18.118 0.002 1 169 537 19 ILE CD1 C 13.837 0.049 1 170 537 19 ILE N N 121.266 0.000 1 171 538 20 ALA H H 8.084 0.000 1 172 538 20 ALA HA H 4.199 0.003 1 173 538 20 ALA HB H 1.356 0.008 1 174 538 20 ALA C C 177.676 0.000 1 175 538 20 ALA CA C 53.505 0.033 1 176 538 20 ALA CB C 19.473 0.003 1 177 538 20 ALA N N 125.374 0.000 1 178 539 21 ASP H H 8.025 0.000 1 179 539 21 ASP HA H 4.627 0.000 1 180 539 21 ASP HB2 H 2.781 0.000 2 181 539 21 ASP HB3 H 2.617 0.000 2 182 539 21 ASP C C 176.344 0.000 1 183 539 21 ASP CA C 54.633 0.000 1 184 539 21 ASP CB C 41.269 0.007 1 185 539 21 ASP N N 117.682 0.000 1 186 540 22 MET H H 7.898 0.000 1 187 540 22 MET HA H 4.255 0.004 1 188 540 22 MET HB2 H 1.872 0.002 2 189 540 22 MET HB3 H 1.820 0.000 2 190 540 22 MET HG2 H 2.326 0.005 1 191 540 22 MET HE H 1.964 0.001 1 192 540 22 MET C C 175.585 0.000 1 193 540 22 MET CA C 56.143 0.050 1 194 540 22 MET CB C 33.357 0.008 1 195 540 22 MET CG C 32.332 0.001 1 196 540 22 MET CE C 17.487 0.031 1 197 540 22 MET N N 120.057 0.000 1 198 541 23 ASP H H 8.217 0.000 1 199 541 23 ASP HA H 4.640 0.000 1 200 541 23 ASP HB2 H 2.744 0.000 2 201 541 23 ASP HB3 H 2.603 0.000 2 202 541 23 ASP C C 176.890 0.000 1 203 541 23 ASP CA C 54.128 0.000 1 204 541 23 ASP CB C 41.307 0.002 1 205 541 23 ASP N N 121.478 0.000 1 206 542 24 PHE H H 8.393 0.000 1 207 542 24 PHE HA H 4.324 0.002 1 208 542 24 PHE HB2 H 2.982 0.003 2 209 542 24 PHE HB3 H 2.881 0.000 2 210 542 24 PHE HD1 H 7.209 0.007 1 211 542 24 PHE HD2 H 7.209 0.007 1 212 542 24 PHE HE1 H 7.272 0.007 1 213 542 24 PHE HE2 H 7.272 0.007 1 214 542 24 PHE C C 176.787 0.000 1 215 542 24 PHE CA C 60.148 0.133 1 216 542 24 PHE CB C 40.226 0.006 1 217 542 24 PHE CD1 C 131.829 0.000 1 218 542 24 PHE CD2 C 131.829 0.000 1 219 542 24 PHE CE1 C 129.729 0.000 1 220 542 24 PHE CE2 C 129.729 0.000 1 221 542 24 PHE N N 122.766 0.000 1 222 543 25 SER H H 8.331 0.000 1 223 543 25 SER HA H 4.234 0.004 1 224 543 25 SER HB2 H 3.913 0.000 1 225 543 25 SER C C 176.263 0.000 1 226 543 25 SER CA C 61.418 0.000 1 227 543 25 SER CB C 63.602 0.000 1 228 543 25 SER N N 115.626 0.000 1 229 544 26 ALA H H 7.948 0.000 1 230 544 26 ALA HA H 4.205 0.007 1 231 544 26 ALA HB H 1.420 0.004 1 232 544 26 ALA C C 179.443 0.000 1 233 544 26 ALA CA C 54.128 0.072 1 234 544 26 ALA CB C 18.839 0.031 1 235 544 26 ALA N N 124.849 0.000 1 236 545 27 LEU H H 7.711 0.000 1 237 545 27 LEU HA H 4.114 0.000 1 238 545 27 LEU HB2 H 1.655 0.000 2 239 545 27 LEU HB3 H 1.589 0.008 2 240 545 27 LEU HG H 1.604 0.005 1 241 545 27 LEU HD1 H 0.857 0.008 2 242 545 27 LEU HD2 H 0.811 0.004 2 243 545 27 LEU C C 178.395 0.000 1 244 545 27 LEU CA C 57.250 0.000 1 245 545 27 LEU CB C 42.304 0.003 1 246 545 27 LEU CG C 27.323 0.000 1 247 545 27 LEU CD1 C 25.299 0.000 2 248 545 27 LEU CD2 C 23.987 0.086 2 249 545 27 LEU N N 119.532 0.000 1 250 546 28 LEU H H 7.938 0.000 1 251 546 28 LEU HA H 4.069 0.000 1 252 546 28 LEU HB2 H 1.603 0.004 2 253 546 28 LEU HB3 H 1.520 0.007 2 254 546 28 LEU HG H 1.600 0.006 1 255 546 28 LEU HD1 H 0.825 0.008 2 256 546 28 LEU HD2 H 0.854 0.008 2 257 546 28 LEU C C 178.659 0.000 1 258 546 28 LEU CA C 56.685 0.000 1 259 546 28 LEU CB C 41.843 0.005 1 260 546 28 LEU CG C 27.317 0.000 1 261 546 28 LEU CD1 C 23.686 0.000 2 262 546 28 LEU CD2 C 25.132 0.000 2 263 546 28 LEU N N 118.521 0.000 1 264 547 29 SER H H 7.881 0.000 1 265 547 29 SER HA H 4.308 0.000 1 266 547 29 SER HB2 H 3.931 0.008 2 267 547 29 SER HB3 H 3.887 0.000 2 268 547 29 SER C C 175.213 0.000 1 269 547 29 SER CA C 60.182 0.000 1 270 547 29 SER CB C 63.574 0.001 1 271 547 29 SER N N 114.369 0.000 1 272 548 30 GLN H H 7.946 0.000 1 273 548 30 GLN HA H 4.302 0.000 1 274 548 30 GLN HB2 H 2.183 0.000 2 275 548 30 GLN HB3 H 2.094 0.000 2 276 548 30 GLN HG2 H 2.373 0.000 2 277 548 30 GLN HG3 H 2.416 0.000 2 278 548 30 GLN HE21 H 7.411 0.000 1 279 548 30 GLN HE22 H 6.791 0.000 1 280 548 30 GLN C C 176.688 0.000 1 281 548 30 GLN CA C 56.875 0.000 1 282 548 30 GLN CB C 29.533 0.008 1 283 548 30 GLN CG C 34.185 0.012 1 284 548 30 GLN N N 120.439 0.000 1 285 548 30 GLN NE2 N 111.720 0.002 1 286 549 31 ILE H H 7.817 0.000 1 287 549 31 ILE HA H 4.207 0.004 1 288 549 31 ILE HB H 1.921 0.001 1 289 549 31 ILE HG12 H 1.469 0.002 2 290 549 31 ILE HG13 H 1.214 0.002 2 291 549 31 ILE HG2 H 0.894 0.001 1 292 549 31 ILE HD1 H 0.804 0.004 1 293 549 31 ILE C C 176.059 0.000 1 294 549 31 ILE CA C 61.835 0.047 1 295 549 31 ILE CB C 38.919 0.090 1 296 549 31 ILE CG1 C 27.511 0.040 1 297 549 31 ILE CG2 C 18.029 0.002 1 298 549 31 ILE CD1 C 13.846 0.000 1 299 549 31 ILE N N 118.212 0.000 1 300 550 32 SER H H 8.123 0.000 1 301 550 32 SER HA H 4.489 0.000 1 302 550 32 SER HB2 H 3.896 0.000 1 303 550 32 SER HB3 H 3.896 0.000 1 304 550 32 SER C C 173.650 0.000 1 305 550 32 SER CA C 58.575 0.000 1 306 550 32 SER CB C 64.291 0.000 1 307 550 32 SER N N 118.674 0.000 1 308 551 33 SER H H 7.877 0.000 1 309 551 33 SER HA H 4.292 0.000 1 310 551 33 SER HB2 H 3.873 0.007 2 311 551 33 SER HB3 H 3.879 0.001 2 312 551 33 SER CA C 60.274 0.110 1 313 551 33 SER CB C 65.115 0.000 1 314 551 33 SER N N 123.322 0.000 1 stop_ save_