data_5032 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Resonance Assignments of the DNA Binding Domain of the Human Forkhead Transcription Factor AFX ; _BMRB_accession_number 5032 _BMRB_flat_file_name bmr5032.str _Entry_type new _Submission_date 2001-05-28 _Accession_date 2001-05-29 _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 Weigelt Johan . . 2 Climent Isabel . . 3 Dahlman-Wright K. . . 4 Wikstrom Mats . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 75 "13C chemical shifts" 147 "15N chemical shifts" 75 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-07-14 update BMRB 'update DNA residue label to two-letter code' 2001-06-05 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 4675 '1H, 13C and 15N resonance assignments of the DNA binding domain of AFX' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C and 15N Resonance Assignments of the DNA Binding Domain of the Human Forkhead Transcription Factor AFX ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 20377252 _PubMed_ID 10921784 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Weigelt Johan . . 2 Climent Isabel . . 3 Dahlman-Wright K. . . 4 Wikstrom Mats . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 17 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 181 _Page_last 182 _Year 2000 _Details . save_ ################################## # Molecular system description # ################################## save_system_AFX-DBD _Saveframe_category molecular_system _Mol_system_name 'AFX in complex with DNA' _Abbreviation_common AFX-DBD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'AFX DNA binding domain' $AFX-DBD '16mer insulin response sequence, strand 1' $dIRSA_1 '16mer insulin response sequence, strand 2' $dIRSA_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_AFX-DBD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'AFX DNA binding domain' _Abbreviation_common AFX-DBD _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; MRGSHHHHHHGSRRNAWGNQ SYAELISQAIESAPEKRLTL AQIYEWMVRTVPYFKDKGDS NSSAGWKNSIRHNLSLHSKF IKVHNEATGKSSWWMLNPEG GKSGKAPR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 81 MET 2 82 ARG 3 83 GLY 4 84 SER 5 85 HIS 6 86 HIS 7 87 HIS 8 88 HIS 9 89 HIS 10 90 HIS 11 91 GLY 12 92 SER 13 93 ARG 14 94 ARG 15 95 ASN 16 96 ALA 17 97 TRP 18 98 GLY 19 99 ASN 20 100 GLN 21 101 SER 22 102 TYR 23 103 ALA 24 104 GLU 25 105 LEU 26 106 ILE 27 107 SER 28 108 GLN 29 109 ALA 30 110 ILE 31 111 GLU 32 112 SER 33 113 ALA 34 114 PRO 35 115 GLU 36 116 LYS 37 117 ARG 38 118 LEU 39 119 THR 40 120 LEU 41 121 ALA 42 122 GLN 43 123 ILE 44 124 TYR 45 125 GLU 46 126 TRP 47 127 MET 48 128 VAL 49 129 ARG 50 130 THR 51 131 VAL 52 132 PRO 53 133 TYR 54 134 PHE 55 135 LYS 56 136 ASP 57 137 LYS 58 138 GLY 59 139 ASP 60 140 SER 61 141 ASN 62 142 SER 63 143 SER 64 144 ALA 65 145 GLY 66 146 TRP 67 147 LYS 68 148 ASN 69 149 SER 70 150 ILE 71 151 ARG 72 152 HIS 73 153 ASN 74 154 LEU 75 155 SER 76 156 LEU 77 157 HIS 78 158 SER 79 159 LYS 80 160 PHE 81 161 ILE 82 162 LYS 83 163 VAL 84 164 HIS 85 165 ASN 86 166 GLU 87 167 ALA 88 168 THR 89 169 GLY 90 170 LYS 91 171 SER 92 172 SER 93 173 TRP 94 174 TRP 95 175 MET 96 176 LEU 97 177 ASN 98 178 PRO 99 179 GLU 100 180 GLY 101 181 GLY 102 182 LYS 103 183 SER 104 184 GLY 105 185 LYS 106 186 ALA 107 187 PRO 108 188 ARG 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 3L2C "Crystal Structure Of The Dna Binding Domain Of Foxo4 Bound To Dna" 86.11 110 100.00 100.00 4.34e-60 DBJ BAA86199 "forkhead protein [Mus musculus]" 90.74 505 97.96 98.98 1.38e-61 DBJ BAE34214 "unnamed protein product [Mus musculus]" 52.78 200 98.25 100.00 1.94e-31 DBJ BAG61928 "unnamed protein product [Homo sapiens]" 90.74 398 100.00 100.00 6.50e-63 DBJ BAG73163 "forkhead box O4 [synthetic construct]" 90.74 505 100.00 100.00 6.23e-63 EMBL CAA63819 "AFX [Homo sapiens]" 90.74 501 98.98 98.98 2.72e-62 EMBL CAA72156 "AFX1 [Homo sapiens]" 90.74 504 100.00 100.00 4.21e-63 GB AAD42108 "forkhead protein AFXH [Mus musculus]" 90.74 505 97.96 98.98 1.38e-61 GB AAH99460 "Forkhead box O4 [Mus musculus]" 52.78 200 100.00 100.00 3.96e-32 GB AAI06762 "Forkhead box O4 [Homo sapiens]" 90.74 505 100.00 100.00 6.23e-63 GB AAI39276 "Forkhead box O4 [Mus musculus]" 90.74 505 97.96 98.98 1.38e-61 GB AAI39305 "Forkhead box O4 [Mus musculus]" 90.74 505 97.96 98.98 1.38e-61 REF NP_001094747 "forkhead box protein O4 [Bos taurus]" 90.74 512 100.00 100.00 8.05e-63 REF NP_001100413 "forkhead box protein O4 [Rattus norvegicus]" 90.74 505 97.96 98.98 8.05e-62 REF NP_005929 "forkhead box protein O4 isoform 1 [Homo sapiens]" 90.74 505 100.00 100.00 6.23e-63 REF NP_061259 "forkhead box protein O4 [Mus musculus]" 90.74 505 97.96 98.98 1.38e-61 REF XP_002720130 "PREDICTED: forkhead box protein O4 [Oryctolagus cuniculus]" 90.74 506 100.00 100.00 7.61e-63 SP P98177 "RecName: Full=Forkhead box protein O4; AltName: Full=Fork head domain transcription factor AFX1 [Homo sapiens]" 90.74 505 100.00 100.00 6.23e-63 SP Q9WVH3 "RecName: Full=Forkhead box protein O4; AltName: Full=Afxh; AltName: Full=Fork head domain transcription factor AFX1 [Mus muscul" 90.74 505 97.96 98.98 1.38e-61 TPG DAA12928 "TPA: forkhead box O4 [Bos taurus]" 90.74 512 100.00 100.00 8.05e-63 stop_ save_ save_dIRSA_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common 'Insulin response element from IGFBP-1 promoter' _Abbreviation_common dIRSA _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 16 _Mol_residue_sequence CAAGCAAAACAAACCA loop_ _Residue_seq_code _Residue_label 1 DC 2 DA 3 DA 4 DG 5 DC 6 DA 7 DA 8 DA 9 DA 10 DC 11 DA 12 DA 13 DA 14 DC 15 DC 16 DA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_dIRSA_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common 'Insulin response element from IGFBP-1 promoter' _Abbreviation_common dIRSA _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 16 _Mol_residue_sequence TGGTTTGTTTTGCTTG loop_ _Residue_seq_code _Residue_label 1 DT 2 DG 3 DG 4 DT 5 DT 6 DT 7 DG 8 DT 9 DT 10 DT 11 DT 12 DG 13 DC 14 DT 15 DT 16 DG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AFX-DBD Human 9606 Eukaryota Metazoa Homo sapiens $dIRSA_1 Human 9606 Eukaryota Metazoa Homo sapiens $dIRSA_2 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 $AFX-DBD 'recombinant technology' 'E. coli' . . . . $dIRSA_1 'chemical synthesis' . . . . . $dIRSA_2 'chemical synthesis' . . . . . 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 _Isotopic_labeling $AFX-DBD 0.5 mM '[U-13C; U-15N; U-90% 2H]' $dIRSA_1 0.5 mM . $dIRSA_2 0.5 mM . 'sodium phospate' 20 mM . NaCl 50 mM . MgCl2 2 mM . NaN3 0.02 '% w/v' . stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Saveframe_category software _Name nmrPipe _Version . loop_ _Task processing stop_ _Details . save_ save_ANSIG _Saveframe_category software _Name ANSIG _Version . loop_ _Task analysis stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TROSY' _Sample_label . save_ save_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_HNCACB-TROSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB-TROSY _Sample_label . save_ save_HNCA-TROSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA-TROSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TROSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB-TROSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA-TROSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Exp_cond _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.4 0.05 n/a temperature 298 0.2 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 H2O H 1 proton ppm 4.773 internal direct cylindrical internal parallel . H2O N 15 proton ppm 4.773 internal indirect cylindrical internal parallel 0.101329118 H2O C 13 proton ppm 4.773 internal indirect cylindrical internal parallel 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details 'The reported HN and N chemical shifts reflect TROSY type chemical shifts at 800 MHz.' loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Exp_cond _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'AFX DNA binding domain' _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 . 15 ASN CA C 57.4 0.10 9 2 . 15 ASN CB C 29.1 0.10 9 3 . 16 ALA N N 123.7 0.10 9 4 . 16 ALA H H 8.06 0.02 9 5 . 16 ALA CA C 51.9 0.10 9 6 . 16 ALA CB C 18.6 0.10 9 7 . 18 GLY N N 111.0 0.10 1 8 . 18 GLY H H 6.88 0.02 1 9 . 18 GLY CA C 44.2 0.10 1 10 . 19 ASN N N 117.8 0.10 1 11 . 19 ASN H H 8.31 0.02 1 12 . 19 ASN CA C 53.3 0.10 1 13 . 19 ASN CB C 38.2 0.10 1 14 . 20 GLN N N 119.5 0.10 1 15 . 20 GLN H H 8.02 0.02 1 16 . 20 GLN CA C 55.8 0.10 1 17 . 20 GLN CB C 30.7 0.10 1 18 . 21 SER N N 119.8 0.10 1 19 . 21 SER H H 8.85 0.02 1 20 . 21 SER CA C 56.5 0.10 1 21 . 21 SER CB C 65.5 0.10 1 22 . 22 TYR N N 118.6 0.10 1 23 . 22 TYR H H 8.73 0.02 1 24 . 22 TYR CA C 64.0 0.10 1 25 . 23 ALA N N 119.2 0.10 1 26 . 23 ALA H H 8.96 0.02 1 27 . 23 ALA CA C 55.6 0.10 1 28 . 23 ALA CB C 17.2 0.10 1 29 . 24 GLU N N 121.6 0.10 1 30 . 24 GLU H H 8.06 0.02 1 31 . 24 GLU CA C 59.3 0.10 1 32 . 24 GLU CB C 29.2 0.10 1 33 . 25 LEU N N 122.0 0.10 1 34 . 25 LEU H H 8.10 0.02 1 35 . 25 LEU CA C 58.1 0.10 1 36 . 25 LEU CB C 41.6 0.10 1 37 . 26 ILE N N 118.5 0.10 1 38 . 26 ILE H H 8.56 0.02 1 39 . 26 ILE CA C 65.2 0.10 1 40 . 26 ILE CB C 37.5 0.10 1 41 . 27 SER N N 113.5 0.10 1 42 . 27 SER H H 7.97 0.02 1 43 . 27 SER CA C 62.8 0.10 1 44 . 28 GLN N N 121.2 0.10 1 45 . 28 GLN H H 7.59 0.02 1 46 . 28 GLN CA C 59.9 0.10 1 47 . 28 GLN CB C 28.1 0.10 1 48 . 29 ALA N N 124.4 0.10 1 49 . 29 ALA H H 7.27 0.02 1 50 . 29 ALA CA C 54.3 0.10 1 51 . 29 ALA CB C 16.2 0.10 1 52 . 30 ILE N N 118.6 0.10 1 53 . 30 ILE H H 7.79 0.02 1 54 . 30 ILE CA C 65.8 0.10 1 55 . 30 ILE CB C 37.8 0.10 1 56 . 31 GLU N N 116.3 0.10 1 57 . 31 GLU H H 8.23 0.02 1 58 . 31 GLU CA C 58.4 0.10 1 59 . 31 GLU CB C 29.2 0.10 1 60 . 32 SER CA C 59.2 0.10 1 61 . 33 ALA N N 128.8 0.10 1 62 . 33 ALA H H 7.38 0.02 1 63 . 33 ALA CA C 50.2 0.10 1 64 . 33 ALA CB C 18.2 0.10 1 65 . 36 LYS N N 114.3 0.10 1 66 . 36 LYS H H 8.07 0.02 1 67 . 36 LYS CA C 55.6 0.10 1 68 . 36 LYS CB C 28.5 0.10 1 69 . 37 ARG N N 109.7 0.10 1 70 . 37 ARG H H 6.58 0.02 1 71 . 37 ARG CA C 53.6 0.10 1 72 . 37 ARG CB C 31.9 0.10 1 73 . 38 LEU N N 120.9 0.10 1 74 . 38 LEU H H 8.47 0.02 1 75 . 38 LEU CA C 54.0 0.10 1 76 . 38 LEU CB C 48.5 0.10 1 77 . 39 THR N N 112.7 0.10 1 78 . 39 THR H H 8.78 0.02 1 79 . 39 THR CA C 60.6 0.10 1 80 . 39 THR CB C 71.3 0.10 1 81 . 40 LEU N N 123.5 0.10 1 82 . 40 LEU H H 9.78 0.02 1 83 . 40 LEU CA C 58.3 0.10 1 84 . 40 LEU CB C 41.1 0.10 1 85 . 41 ALA N N 117.5 0.10 1 86 . 41 ALA H H 8.40 0.02 1 87 . 41 ALA CA C 54.9 0.10 1 88 . 41 ALA CB C 17.6 0.10 1 89 . 42 GLN N N 116.4 0.10 1 90 . 42 GLN H H 7.38 0.02 1 91 . 42 GLN CA C 58.2 0.10 1 92 . 42 GLN CB C 30.1 0.10 1 93 . 43 ILE N N 126.2 0.10 1 94 . 43 ILE H H 8.26 0.02 1 95 . 43 ILE CA C 66.5 0.10 1 96 . 43 ILE CB C 36.8 0.10 1 97 . 44 TYR N N 118.1 0.10 1 98 . 44 TYR H H 8.21 0.02 1 99 . 44 TYR CA C 58.0 0.10 1 100 . 44 TYR CB C 36.6 0.10 1 101 . 45 GLU N N 117.2 0.10 1 102 . 45 GLU H H 7.92 0.02 1 103 . 45 GLU CA C 59.2 0.10 1 104 . 45 GLU CB C 29.3 0.10 1 105 . 46 TRP N N 121.2 0.10 1 106 . 46 TRP H H 8.18 0.02 1 107 . 46 TRP CA C 62.5 0.10 1 108 . 46 TRP CB C 29.0 0.10 1 109 . 47 MET N N 119.7 0.10 1 110 . 47 MET H H 8.28 0.02 1 111 . 47 MET CA C 58.3 0.10 1 112 . 47 MET CB C 31.1 0.10 1 113 . 48 VAL N N 116.2 0.10 1 114 . 48 VAL H H 7.43 0.02 1 115 . 48 VAL CA C 64.5 0.10 1 116 . 48 VAL CB C 31.4 0.10 1 117 . 49 ARG N N 117.3 0.10 1 118 . 49 ARG H H 7.80 0.02 1 119 . 49 ARG CA C 57.6 0.10 1 120 . 49 ARG CB C 30.6 0.10 1 121 . 50 THR N N 112.6 0.10 1 122 . 50 THR H H 7.46 0.02 1 123 . 50 THR CA C 64.2 0.10 1 124 . 50 THR CB C 69.2 0.10 1 125 . 51 VAL N N 125.5 0.10 1 126 . 51 VAL H H 7.86 0.02 1 127 . 51 VAL CA C 59.8 0.10 1 128 . 51 VAL CB C 31.7 0.10 1 129 . 53 TYR CA C 60.9 0.10 1 130 . 54 PHE N N 113.1 0.10 1 131 . 54 PHE H H 7.32 0.02 1 132 . 54 PHE CA C 58.7 0.10 1 133 . 54 PHE CB C 37.3 0.10 1 134 . 55 LYS N N 120.8 0.10 1 135 . 55 LYS H H 7.35 0.02 1 136 . 55 LYS CA C 59.1 0.10 1 137 . 55 LYS CB C 31.9 0.10 1 138 . 56 ASP N N 116.5 0.10 1 139 . 56 ASP H H 7.97 0.02 1 140 . 56 ASP CA C 53.9 0.10 1 141 . 56 ASP CB C 40.0 0.10 1 142 . 57 LYS N N 119.3 0.10 1 143 . 57 LYS H H 7.52 0.02 1 144 . 57 LYS CA C 55.5 0.10 1 145 . 57 LYS CB C 31.8 0.10 1 146 . 58 GLY N N 108.2 0.10 1 147 . 58 GLY H H 8.42 0.02 1 148 . 58 GLY CA C 46.4 0.10 1 149 . 59 ASP N N 120.0 0.10 1 150 . 59 ASP H H 8.17 0.02 1 151 . 59 ASP CA C 53.6 0.10 1 152 . 59 ASP CB C 40.3 0.10 1 153 . 63 SER N N 115.5 0.10 1 154 . 63 SER H H 7.95 0.02 1 155 . 63 SER CA C 58.7 0.10 1 156 . 63 SER CB C 64.0 0.10 1 157 . 64 ALA N N 125.2 0.10 1 158 . 64 ALA H H 7.32 0.02 1 159 . 64 ALA CA C 53.5 0.10 1 160 . 64 ALA CB C 18.4 0.10 1 161 . 65 GLY N N 110.2 0.10 1 162 . 65 GLY H H 8.53 0.02 1 163 . 65 GLY CA C 47.7 0.10 1 164 . 66 TRP N N 121.6 0.10 1 165 . 66 TRP H H 8.15 0.02 1 166 . 66 TRP CA C 58.8 0.10 1 167 . 66 TRP CB C 28.3 0.10 1 168 . 67 LYS N N 122.0 0.10 1 169 . 67 LYS H H 6.58 0.02 1 170 . 67 LYS CA C 60.4 0.10 1 171 . 68 ASN N N 119.3 0.10 1 172 . 68 ASN H H 7.33 0.02 1 173 . 68 ASN CA C 55.7 0.10 1 174 . 69 SER N N 116.5 0.10 1 175 . 69 SER H H 8.10 0.02 1 176 . 69 SER CA C 63.3 0.10 1 177 . 70 ILE N N 125.6 0.10 1 178 . 70 ILE H H 7.85 0.02 1 179 . 70 ILE CA C 64.4 0.10 1 180 . 70 ILE CB C 35.8 0.10 1 181 . 71 ARG N N 119.1 0.10 1 182 . 71 ARG H H 7.82 0.02 1 183 . 71 ARG CA C 60.6 0.10 1 184 . 71 ARG CB C 29.2 0.10 1 185 . 72 HIS N N 117.8 0.10 1 186 . 72 HIS H H 8.64 0.02 1 187 . 72 HIS CA C 59.4 0.10 1 188 . 72 HIS CB C 28.8 0.10 1 189 . 73 ASN N N 115.9 0.10 1 190 . 73 ASN H H 7.67 0.02 1 191 . 73 ASN CA C 57.7 0.10 1 192 . 73 ASN CB C 41.4 0.10 1 193 . 74 LEU N N 119.3 0.10 1 194 . 74 LEU H H 7.67 0.02 1 195 . 74 LEU CA C 57.4 0.10 1 196 . 74 LEU CB C 39.1 0.10 1 197 . 75 SER N N 109.5 0.10 1 198 . 75 SER H H 7.00 0.02 1 199 . 75 SER CA C 61.1 0.10 1 200 . 80 PHE CA C 55.6 0.10 1 201 . 80 PHE CB C 40.9 0.10 1 202 . 81 ILE N N 120.2 0.10 1 203 . 81 ILE H H 9.23 0.02 1 204 . 81 ILE CA C 59.1 0.10 1 205 . 81 ILE CB C 41.1 0.10 1 206 . 82 LYS N N 125.1 0.10 1 207 . 82 LYS H H 7.96 0.02 1 208 . 82 LYS CA C 54.2 0.10 1 209 . 82 LYS CB C 32.0 0.10 1 210 . 83 VAL N N 127.3 0.10 1 211 . 83 VAL H H 9.11 0.02 1 212 . 83 VAL CA C 60.7 0.10 1 213 . 83 VAL CB C 34.6 0.10 1 214 . 84 HIS N N 125.3 0.10 1 215 . 84 HIS H H 8.47 0.02 1 216 . 84 HIS CA C 57.1 0.10 1 217 . 84 HIS CB C 28.9 0.10 1 218 . 85 ASN N N 125.9 0.10 1 219 . 85 ASN H H 8.34 0.02 1 220 . 85 ASN CA C 52.2 0.10 1 221 . 85 ASN CB C 38.2 0.10 1 222 . 86 GLU CA C 56.7 0.10 1 223 . 87 ALA N N 124.8 0.10 1 224 . 87 ALA H H 8.21 0.02 1 225 . 87 ALA CA C 52.6 0.10 1 226 . 87 ALA CB C 18.5 0.10 1 227 . 88 THR N N 116.3 0.10 1 228 . 88 THR H H 7.82 0.02 1 229 . 88 THR CA C 62.8 0.10 1 230 . 89 GLY N N 114.2 0.10 1 231 . 89 GLY H H 8.57 0.02 1 232 . 89 GLY CA C 45.4 0.10 1 233 . 90 LYS N N 119.3 0.10 1 234 . 90 LYS H H 7.35 0.02 1 235 . 90 LYS CA C 54.1 0.10 1 236 . 90 LYS CB C 32.8 0.10 1 237 . 91 SER N N 117.2 0.10 1 238 . 91 SER H H 7.97 0.02 1 239 . 91 SER CA C 58.4 0.10 1 240 . 91 SER CB C 63.1 0.10 1 241 . 92 SER N N 112.8 0.10 1 242 . 92 SER H H 8.02 0.02 1 243 . 92 SER CA C 60.1 0.10 1 244 . 92 SER CB C 63.4 0.10 1 245 . 93 TRP N N 120.0 0.10 1 246 . 93 TRP H H 8.31 0.02 1 247 . 93 TRP CA C 56.3 0.10 1 248 . 93 TRP CB C 31.5 0.10 1 249 . 94 TRP N N 123.8 0.10 1 250 . 94 TRP H H 9.04 0.02 1 251 . 94 TRP CA C 56.5 0.10 1 252 . 94 TRP CB C 30.0 0.10 1 253 . 95 MET N N 118.5 0.10 1 254 . 95 MET H H 8.98 0.02 1 255 . 95 MET CA C 54.0 0.10 1 256 . 95 MET CB C 37.3 0.10 1 257 . 96 LEU N N 120.9 0.10 1 258 . 96 LEU H H 9.13 0.02 1 259 . 96 LEU CA C 54.2 0.10 1 260 . 96 LEU CB C 41.1 0.10 1 261 . 98 PRO CA C 63.8 0.10 1 262 . 98 PRO CB C 31.6 0.10 1 263 . 99 GLU N N 118.3 0.10 1 264 . 99 GLU H H 7.82 0.02 1 265 . 99 GLU CA C 56.1 0.10 1 266 . 99 GLU CB C 29.3 0.10 1 267 . 100 GLY N N 108.9 0.10 1 268 . 100 GLY H H 7.89 0.02 1 269 . 100 GLY CA C 45.3 0.10 1 270 . 101 GLY N N 108.7 0.10 1 271 . 101 GLY H H 8.06 0.02 1 272 . 101 GLY CA C 45.1 0.10 1 273 . 102 LYS N N 121.0 0.10 1 274 . 102 LYS H H 8.07 0.02 1 275 . 102 LYS CA C 56.2 0.10 1 276 . 102 LYS CB C 32.3 0.10 1 277 . 103 SER N N 117.0 0.10 1 278 . 103 SER H H 8.29 0.02 1 279 . 103 SER CA C 58.3 0.10 1 280 . 103 SER CB C 63.7 0.10 1 281 . 104 GLY N N 111.5 0.10 1 282 . 104 GLY H H 8.35 0.02 1 283 . 104 GLY CA C 45.0 0.10 1 284 . 105 LYS N N 121.1 0.10 1 285 . 105 LYS H H 8.07 0.02 1 286 . 105 LYS CA C 55.6 0.10 1 287 . 105 LYS CB C 32.5 0.10 1 288 . 106 ALA N N 127.3 0.10 1 289 . 106 ALA H H 8.22 0.02 1 290 . 106 ALA CA C 50.3 0.10 1 291 . 106 ALA CB C 17.7 0.10 1 292 . 107 PRO CA C 63.0 0.10 1 293 . 107 PRO CB C 38.4 0.10 1 294 . 108 ARG N N 126.4 0.10 1 295 . 108 ARG H H 7.81 0.02 1 296 . 108 ARG CA C 57.1 0.10 1 297 . 108 ARG CB C 31.0 0.10 1 stop_ save_