data_4024 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H Resonance Assignments for the First Zinc Finger Domain of SWI5 ; _BMRB_accession_number 4024 _BMRB_flat_file_name bmr4024.str _Entry_type update _Submission_date 1996-08-09 _Accession_date 1997-04-18 _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 Dutnall Robert N. . 2 Neuhaus David . . 3 Rhodes Daniela . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 376 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-10-12 reformat BMRB 'Format updated to NMR-STAR version 2.1' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Dutnall, R.N., Neuhaus, D., and Rhodes, D., "The Solution Structure of the First Zinc Finger Domain of SWI5: A Novel Extension to a Common Fold," Structure 4, 599-611 (1996). ; _Citation_title ; The Solution Structure of the First Zinc Finger Domain of SWI5: A Novel Extension to a Common Fold ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 96347358 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dutnall Robert N. . 2 Neuhaus David . . 3 Rhodes Daniela . . stop_ _Journal_abbreviation Structure _Journal_name_full Structure _Journal_volume 4 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 599 _Page_last 611 _Year 1996 _Details . loop_ _Keyword 'NMR structure' 'protein-DNA recognition' 'zinc finger' stop_ save_ ################################## # Molecular system description # ################################## save_SWI5ZF1 _Saveframe_category molecular_system _Mol_system_name 'The first zinc finger domain of SWI5' _Abbreviation_common SWI5ZF1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SWI5ZF1 peptide' $SWI5ZF1_peptide Zn2+ $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'Fully oxidized' loop_ _Biological_function 'C2-H2 zinc finger' 'DNA binding' 'transcription regulator' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SWI5ZF1_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'The first zinc finger domain of SWI5' _Abbreviation_common m30F _Molecular_mass 6973 _Mol_thiol_state . loop_ _Biological_function 'DNA binding' 'transcription regulator' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 59 _Mol_residue_sequence ; TNSPSKITRKLTTLPRGSID KYVKEMPDKTFECLFPGCTK TFKRRYNIRSHIQTHLEDR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 THR 2 3 ASN 3 4 SER 4 5 PRO 5 6 SER 6 7 LYS 7 8 ILE 8 9 THR 9 10 ARG 10 11 LYS 11 12 LEU 12 13 THR 13 14 THR 14 15 LEU 15 16 PRO 16 16 ARG 17 18 GLY 18 19 SER 19 20 ILE 20 21 ASP 21 22 LYS 22 23 TYR 23 24 VAL 24 25 LYS 25 26 GLU 26 27 MET 27 28 PRO 28 29 ASP 29 30 LYS 30 31 THR 31 32 PHE 32 33 GLU 33 34 CYS 34 35 LEU 35 36 PHE 36 37 PRO 37 38 GLY 38 39 CYS 39 40 THR 40 41 LYS 41 42 THR 42 43 PHE 43 44 LYS 44 45 ARG 45 46 ARG 46 47 TYR 47 48 ASN 48 49 ILE 49 50 ARG 50 51 SER 51 52 HIS 52 53 ILE 53 54 GLN 54 55 THR 55 56 HIS 56 57 LEU 57 58 GLU 58 59 ASP 59 60 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-14 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 1NCS "Nmr Study Of Swi5 Zinc Finger Domain 1" 79.66 47 100.00 100.00 3.93e-26 DBJ GAA22378 "K7_Swi5p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 709 100.00 100.00 3.52e-32 EMBL CAA30040 "unnamed protein product [Saccharomyces cerevisiae]" 100.00 709 100.00 100.00 3.52e-32 EMBL CAA90369 "Swi5p [Saccharomyces cerevisiae]" 100.00 709 100.00 100.00 3.52e-32 EMBL CAY78651 "Swi5p [Saccharomyces cerevisiae EC1118]" 100.00 709 100.00 100.00 3.46e-32 GB AAU09695 "YDR146C [Saccharomyces cerevisiae]" 100.00 709 100.00 100.00 3.42e-32 GB AHY75135 "Swi5p [Saccharomyces cerevisiae YJM993]" 100.00 709 100.00 100.00 3.52e-32 GB AJP37864 "Swi5p [Saccharomyces cerevisiae YJM1078]" 100.00 709 100.00 100.00 3.67e-32 GB AJU57985 "Swi5p [Saccharomyces cerevisiae YJM189]" 100.00 709 100.00 100.00 3.46e-32 GB AJU58680 "Swi5p [Saccharomyces cerevisiae YJM193]" 100.00 709 100.00 100.00 3.46e-32 REF NP_010430 "DNA-binding transcription factor SWI5 [Saccharomyces cerevisiae S288c]" 100.00 709 100.00 100.00 3.52e-32 SP P08153 "RecName: Full=Transcriptional factor SWI5" 100.00 709 100.00 100.00 3.52e-32 TPG DAA11989 "TPA: DNA-binding transcription factor SWI5 [Saccharomyces cerevisiae S288c]" 100.00 709 100.00 100.00 3.52e-32 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "zinc (ZINC ION)" _Abbreviation_common Zn2+ _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SWI5ZF1_peptide yeast 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 _Details $SWI5ZF1_peptide 'recombinant technology' 'E. coli' Escherichia coli BL21 DE3 plasmid pET13a synthetic stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SWI5ZF1_peptide 4 mM . 'sodium pyrophosphate buffer' 40 mM . 'zinc sulphate' 0.5 mM . TSP 0.1 mM . D2O 15 % . H2O 85 % . stop_ save_ ############################# # Purity of the molecules # ############################# save_mol_purity_list _Saveframe_category sample_mol_purity _Sample_label $sample_one loop_ _Mol_label _Mol_purity_value _Mol_purity_value_units _Mol_purity_measurement_method $SWI5ZF1_peptide 98 % 'SDS gel electrophoresis' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . na temperature 283 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _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 TSP H 1 'methyl protons' ppm 0.0 internal direct . . . 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_chemical_shifts_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name 'SWI5ZF1 peptide' _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 THR HA H 3.93 0.05 1 2 . 1 THR HB H 4.19 0.05 1 3 . 1 THR HG2 H 1.33 0.05 1 4 . 2 ASN HA H 4.83 0.05 1 5 . 2 ASN HB2 H 2.79 0.05 2 6 . 2 ASN HB3 H 2.87 0.05 2 7 . 2 ASN HD21 H 7.07 0.05 2 8 . 2 ASN HD22 H 7.8 0.05 2 9 . 3 SER H H 8.63 0.05 1 10 . 3 SER HA H 4.77 0.05 1 11 . 3 SER HB2 H 3.82 0.05 1 12 . 3 SER HB3 H 3.82 0.05 1 13 . 4 PRO HA H 4.48 0.05 1 14 . 4 PRO HB2 H 1.96 0.05 2 15 . 4 PRO HB3 H 2.34 0.05 2 16 . 4 PRO HG2 H 2.05 0.05 1 17 . 4 PRO HG3 H 2.05 0.05 1 18 . 4 PRO HD2 H 3.76 0.05 2 19 . 4 PRO HD3 H 3.85 0.05 2 20 . 5 SER H H 8.49 0.05 1 21 . 5 SER HA H 4.41 0.05 1 22 . 5 SER HB2 H 3.88 0.05 1 23 . 5 SER HB3 H 3.88 0.05 1 24 . 6 LYS H H 8.44 0.05 1 25 . 6 LYS HA H 4.34 0.05 1 26 . 6 LYS HB2 H 1.79 0.05 2 27 . 6 LYS HB3 H 1.87 0.05 2 28 . 6 LYS HG2 H 1.43 0.05 1 29 . 6 LYS HG3 H 1.43 0.05 1 30 . 6 LYS HD2 H 1.7 0.05 1 31 . 6 LYS HD3 H 1.7 0.05 1 32 . 6 LYS HE2 H 3.00 0.05 1 33 . 6 LYS HE3 H 3.00 0.05 1 34 . 7 ILE H H 8.3 0.05 1 35 . 7 ILE HA H 4.2 0.05 1 36 . 7 ILE HB H 1.88 0.05 1 37 . 7 ILE HG12 H 1.23 0.05 2 38 . 7 ILE HG13 H 1.51 0.05 2 39 . 7 ILE HG2 H 0.91 0.05 1 40 . 7 ILE HD1 H 0.87 0.05 1 41 . 8 THR H H 8.36 0.05 1 42 . 8 THR HA H 4.33 0.05 1 43 . 8 THR HB H 4.19 0.05 1 44 . 8 THR HG2 H 1.21 0.05 1 45 . 9 ARG H H 8.47 0.05 1 46 . 9 ARG HA H 4.34 0.05 2 47 . 9 ARG HB2 H 1.77 0.05 2 48 . 9 ARG HB3 H 1.85 0.05 2 49 . 9 ARG HG2 H 1.66 0.05 1 50 . 9 ARG HG3 H 1.66 0.05 1 51 . 9 ARG HD2 H 3.19 0.05 1 52 . 9 ARG HD3 H 3.19 0.05 1 53 . 9 ARG HE H 7.34 0.05 1 54 . 10 LYS H H 8.51 0.05 1 55 . 10 LYS HA H 4.3 0.05 1 56 . 10 LYS HB2 H 1.76 0.05 2 57 . 10 LYS HB3 H 1.82 0.05 2 58 . 10 LYS HG2 H 1.44 0.05 1 59 . 10 LYS HG3 H 1.44 0.05 1 60 . 10 LYS HD2 H 1.7 0.05 1 61 . 10 LYS HD3 H 1.7 0.05 1 62 . 10 LYS HE2 H 2.99 0.05 1 63 . 10 LYS HE3 H 2.99 0.05 1 64 . 11 LEU H H 8.5 0.05 1 65 . 11 LEU HA H 4.43 0.05 1 66 . 11 LEU HB2 H 1.72 0.05 1 67 . 11 LEU HB3 H 1.61 0.05 1 68 . 11 LEU HG H 1.61 0.05 1 69 . 11 LEU HD1 H 0.88 0.05 2 70 . 11 LEU HD2 H 0.94 0.05 2 71 . 12 THR H H 8.31 0.05 1 72 . 12 THR HA H 4.42 0.05 1 73 . 12 THR HB H 4.25 0.05 1 74 . 12 THR HG2 H 1.21 0.05 1 75 . 13 THR H H 8.2 0.05 1 76 . 13 THR HA H 4.39 0.05 1 77 . 13 THR HB H 4.2 0.05 1 78 . 13 THR HG2 H 1.2 0.05 1 79 . 14 LEU H H 8.39 0.05 1 80 . 14 LEU HA H 4.63 0.05 1 81 . 14 LEU HB2 H 1.61 0.05 2 82 . 14 LEU HB3 H 1.54 0.05 2 83 . 14 LEU HG H 1.7 0.05 1 84 . 14 LEU HD1 H 0.93 0.05 1 85 . 14 LEU HD2 H 0.93 0.05 1 86 . 15 PRO HA H 4.45 0.05 1 87 . 15 PRO HB2 H 1.94 0.05 2 88 . 15 PRO HB3 H 2.37 0.05 2 89 . 15 PRO HG2 H 2.04 0.05 1 90 . 15 PRO HG3 H 2.04 0.05 1 91 . 15 PRO HD2 H 3.63 0.05 1 92 . 15 PRO HD3 H 3.63 0.05 1 93 . 16 ARG H H 8.87 0.05 1 94 . 16 ARG HA H 4.17 0.05 1 95 . 16 ARG HB2 H 1.86 0.05 1 96 . 16 ARG HB3 H 1.86 0.05 1 97 . 16 ARG HG2 H 1.71 0.05 1 98 . 16 ARG HG3 H 1.71 0.05 1 99 . 16 ARG HD2 H 3.21 0.05 1 100 . 16 ARG HD3 H 3.21 0.05 1 101 . 16 ARG HE H 7.5 0.05 1 102 . 17 GLY H H 8.95 0.05 1 103 . 17 GLY HA2 H 3.94 0.05 2 104 . 17 GLY HA3 H 4.03 0.05 2 105 . 18 SER H H 8.06 0.05 1 106 . 18 SER HA H 4.32 0.05 1 107 . 18 SER HB2 H 3.98 0.05 1 108 . 18 SER HB3 H 3.98 0.05 1 109 . 19 ILE H H 7.69 0.05 1 110 . 19 ILE HA H 4.1 0.05 1 111 . 19 ILE HB H 1.96 0.05 1 112 . 19 ILE HG12 H 1.09 0.05 2 113 . 19 ILE HG13 H 1.57 0.05 2 114 . 19 ILE HG2 H 0.9 0.05 1 115 . 19 ILE HD1 H 0.83 0.05 1 116 . 20 ASP H H 8.2 0.05 1 117 . 20 ASP HA H 4.4 0.05 1 118 . 20 ASP HB2 H 2.73 0.05 1 119 . 20 ASP HB3 H 2.54 0.05 1 120 . 21 LYS H H 7.48 0.05 1 121 . 21 LYS HA H 4.07 0.05 1 122 . 21 LYS HB2 H 1.46 0.05 2 123 . 21 LYS HB3 H 1.7 0.05 2 124 . 21 LYS HG2 H 0.59 0.05 2 125 . 21 LYS HG3 H 0.9 0.05 2 126 . 21 LYS HD2 H 1.46 0.05 1 127 . 21 LYS HD3 H 1.46 0.05 1 128 . 21 LYS HE2 H 2.77 0.05 1 129 . 21 LYS HE3 H 2.77 0.05 1 130 . 22 TYR H H 7.97 0.05 1 131 . 22 TYR HA H 4.88 0.05 1 132 . 22 TYR HB2 H 3.05 0.05 1 133 . 22 TYR HB3 H 3.84 0.05 1 134 . 22 TYR HD1 H 7.11 0.05 1 135 . 22 TYR HD2 H 7.11 0.05 1 136 . 22 TYR HE1 H 6.91 0.05 1 137 . 22 TYR HE2 H 6.91 0.05 1 138 . 23 VAL H H 7.56 0.05 1 139 . 23 VAL HA H 4.24 0.05 1 140 . 23 VAL HB H 2.37 0.05 1 141 . 23 VAL HG1 H 0.97 0.05 2 142 . 23 VAL HG2 H 1.01 0.05 2 143 . 24 LYS H H 8.87 0.05 1 144 . 24 LYS HA H 4.84 0.05 1 145 . 24 LYS HB2 H 1.98 0.05 2 146 . 24 LYS HB3 H 2.13 0.05 2 147 . 24 LYS HG2 H 1.7 0.05 2 148 . 24 LYS HG3 H 1.77 0.05 2 149 . 24 LYS HD2 H 1.27 0.05 2 150 . 24 LYS HD3 H 1.41 0.05 2 151 . 24 LYS HE2 H 3.00 0.05 1 152 . 24 LYS HE3 H 3.00 0.05 1 153 . 25 GLU H H 9.1 0.05 1 154 . 25 GLU HA H 4.4 0.05 1 155 . 25 GLU HB2 H 1.985 0.05 1 156 . 25 GLU HB3 H 1.985 0.05 1 157 . 25 GLU HG2 H 2.22 0.05 1 158 . 25 GLU HG3 H 2.22 0.05 1 159 . 26 MET H H 8.66 0.05 1 160 . 26 MET HA H 5.03 0.05 1 161 . 26 MET HB2 H 1.975 0.05 1 162 . 26 MET HB3 H 1.975 0.05 1 163 . 26 MET HG2 H 2.235 0.05 1 164 . 26 MET HG3 H 2.235 0.05 1 165 . 26 MET HE H 2.01 0.05 1 166 . 27 PRO HA H 4.37 0.05 1 167 . 27 PRO HB2 H 2.43 0.05 2 168 . 27 PRO HB3 H 2.55 0.05 2 169 . 27 PRO HG2 H 2.91 0.05 1 170 . 27 PRO HG3 H 2.91 0.05 1 171 . 27 PRO HD2 H 3.83 0.05 2 172 . 27 PRO HD3 H 3.93 0.05 2 173 . 28 ASP H H 7.56 0.05 1 174 . 28 ASP HA H 4.5 0.05 1 175 . 28 ASP HB2 H 2.51 0.05 1 176 . 28 ASP HB3 H 3.03 0.05 1 177 . 29 LYS H H 8.16 0.05 1 178 . 29 LYS HA H 3.74 0.05 1 179 . 29 LYS HB2 H 2.03 0.05 1 180 . 29 LYS HB3 H 2.23 0.05 1 181 . 29 LYS HG2 H 1.395 0.05 1 182 . 29 LYS HG3 H 1.395 0.05 1 183 . 29 LYS HD2 H 1.71 0.05 1 184 . 29 LYS HD3 H 1.71 0.05 1 185 . 29 LYS HE2 H 3.06 0.05 1 186 . 29 LYS HE3 H 3.06 0.05 1 187 . 30 THR H H 7.16 0.05 1 188 . 30 THR HA H 4.51 0.05 1 189 . 30 THR HB H 4.37 0.05 1 190 . 30 THR HG2 H 1.14 0.05 1 191 . 31 PHE H H 8.99 0.05 1 192 . 31 PHE HA H 5.65 0.05 1 193 . 31 PHE HB2 H 2.69 0.05 1 194 . 31 PHE HB3 H 3.05 0.05 1 195 . 31 PHE HD1 H 7.3 0.05 1 196 . 31 PHE HD2 H 7.3 0.05 1 197 . 31 PHE HE1 H 7.3 0.05 1 198 . 31 PHE HE2 H 7.3 0.05 1 199 . 31 PHE HZ H 6.86 0.05 1 200 . 32 GLU H H 9.59 0.05 1 201 . 32 GLU HA H 4.94 0.05 1 202 . 32 GLU HB2 H 1.99 0.05 2 203 . 32 GLU HB3 H 2.12 0.05 2 204 . 32 GLU HG2 H 2.23 0.05 2 205 . 32 GLU HG3 H 2.36 0.05 2 206 . 33 CYS H H 7.93 0.05 1 207 . 33 CYS HA H 4.94 0.05 1 208 . 33 CYS HB2 H 2.89 0.05 1 209 . 33 CYS HB3 H 3.49 0.05 1 210 . 34 LEU H H 9.42 0.05 1 211 . 34 LEU HA H 4.75 0.05 1 212 . 34 LEU HB2 H 1.78 0.05 1 213 . 34 LEU HB3 H 2.02 0.05 1 214 . 34 LEU HG H 1.72 0.05 1 215 . 34 LEU HD1 H 0.92 0.05 1 216 . 34 LEU HD2 H 0.92 0.05 1 217 . 35 PHE H H 9.79 0.05 1 218 . 35 PHE HA H 4.00 0.05 1 219 . 35 PHE HB2 H 2.16 0.05 2 220 . 35 PHE HB3 H 2.21 0.05 2 221 . 35 PHE HD1 H 6.02 0.05 1 222 . 35 PHE HD2 H 6.02 0.05 1 223 . 35 PHE HE1 H 7.04 0.05 1 224 . 35 PHE HE2 H 7.04 0.05 1 225 . 35 PHE HZ H 7.16 0.05 1 226 . 36 PRO HA H 4.09 0.05 1 227 . 36 PRO HB2 H 1.61 0.05 2 228 . 36 PRO HB3 H 2.07 0.05 2 229 . 36 PRO HG2 H 1.74 0.05 1 230 . 36 PRO HG3 H 1.74 0.05 1 231 . 36 PRO HD2 H 3.28 0.05 1 232 . 36 PRO HD3 H 3.28 0.05 1 233 . 37 GLY H H 8.89 0.05 1 234 . 37 GLY HA2 H 3.7 0.05 2 235 . 37 GLY HA3 H 4.24 0.05 2 236 . 38 CYS H H 8.43 0.05 1 237 . 38 CYS HA H 4.65 0.05 1 238 . 38 CYS HB2 H 2.87 0.05 1 239 . 38 CYS HB3 H 3.39 0.05 1 240 . 39 THR H H 8.5 0.05 1 241 . 39 THR HA H 4.92 0.05 1 242 . 39 THR HB H 4.65 0.05 1 243 . 39 THR HG2 H 1.21 0.05 1 244 . 40 LYS H H 8.83 0.05 1 245 . 40 LYS HA H 4.21 0.05 1 246 . 40 LYS HB2 H 1.36 0.05 2 247 . 40 LYS HB3 H 1.64 0.05 2 248 . 40 LYS HG2 H 1.485 0.05 1 249 . 40 LYS HG3 H 1.485 0.05 1 250 . 40 LYS HD2 H 1.485 0.05 1 251 . 40 LYS HD3 H 1.485 0.05 1 252 . 40 LYS HE2 H 2.96 0.05 1 253 . 40 LYS HE3 H 2.96 0.05 1 254 . 41 THR H H 7.68 0.05 1 255 . 41 THR HA H 5.19 0.05 1 256 . 41 THR HB H 4.21 0.05 1 257 . 41 THR HG2 H 1.23 0.05 1 258 . 42 PHE H H 9.07 0.05 1 259 . 42 PHE HA H 4.87 0.05 1 260 . 42 PHE HB2 H 2.51 0.05 1 261 . 42 PHE HB3 H 3.49 0.05 1 262 . 42 PHE HD1 H 7.14 0.05 1 263 . 42 PHE HD2 H 7.14 0.05 1 264 . 42 PHE HE1 H 6.87 0.05 1 265 . 42 PHE HE2 H 6.87 0.05 1 266 . 42 PHE HZ H 6.21 0.05 1 267 . 43 LYS H H 9.36 0.05 1 268 . 43 LYS HA H 4.6 0.05 1 269 . 43 LYS HB2 H 2.00 0.05 2 270 . 43 LYS HB3 H 2.09 0.05 2 271 . 43 LYS HG2 H 1.54 0.05 2 272 . 43 LYS HG3 H 1.65 0.05 2 273 . 43 LYS HD2 H 1.78 0.05 1 274 . 43 LYS HD3 H 1.78 0.05 1 275 . 43 LYS HE2 H 3.06 0.05 1 276 . 43 LYS HE3 H 3.06 0.05 1 277 . 44 ARG H H 7.98 0.05 1 278 . 45 ARG H H 9.42 0.05 1 279 . 45 ARG HA H 5.03 0.05 1 280 . 45 ARG HB2 H 1.79 0.05 1 281 . 45 ARG HB3 H 1.79 0.05 1 282 . 45 ARG HG2 H 1.74 0.05 1 283 . 45 ARG HG3 H 1.74 0.05 1 284 . 45 ARG HD2 H 3.34 0.05 1 285 . 45 ARG HD3 H 3.34 0.05 1 286 . 46 TYR H H 8.52 0.05 1 287 . 46 TYR HA H 4.1 0.05 1 288 . 46 TYR HB2 H 2.77 0.05 1 289 . 46 TYR HB3 H 3.19 0.05 1 290 . 46 TYR HD1 H 7.08 0.05 1 291 . 46 TYR HD2 H 7.08 0.05 1 292 . 46 TYR HE1 H 6.83 0.05 1 293 . 46 TYR HE2 H 6.83 0.05 1 294 . 47 ASN H H 6.7 0.05 1 295 . 47 ASN HA H 4.53 0.05 1 296 . 47 ASN HB2 H 2.92 0.05 1 297 . 47 ASN HB3 H 2.92 0.05 1 298 . 47 ASN HD21 H 7.44 0.05 2 299 . 47 ASN HD22 H 8.39 0.05 2 300 . 48 ILE H H 7.33 0.05 1 301 . 48 ILE HA H 2.94 0.05 1 302 . 48 ILE HB H 1.75 0.05 1 303 . 48 ILE HG12 H 1.3 0.05 1 304 . 48 ILE HG13 H 1.3 0.05 1 305 . 48 ILE HG2 H 1.00 0.05 1 306 . 48 ILE HD1 H 0.76 0.05 1 307 . 49 ARG H H 7.86 0.05 1 308 . 49 ARG HA H 3.65 0.05 1 309 . 49 ARG HB2 H 1.63 0.05 1 310 . 49 ARG HB3 H 1.63 0.05 1 311 . 49 ARG HG2 H 1.73 0.05 1 312 . 49 ARG HG3 H 1.73 0.05 1 313 . 49 ARG HD2 H 2.96 0.05 1 314 . 49 ARG HD3 H 2.96 0.05 1 315 . 50 SER H H 7.46 0.05 1 316 . 50 SER HA H 4.07 0.05 1 317 . 50 SER HB2 H 3.76 0.05 1 318 . 50 SER HB3 H 3.76 0.05 1 319 . 51 HIS H H 7.41 0.05 1 320 . 51 HIS HA H 4.28 0.05 1 321 . 51 HIS HB2 H 3.11 0.05 1 322 . 51 HIS HB3 H 2.88 0.05 1 323 . 51 HIS HD2 H 7.04 0.05 1 324 . 51 HIS HE2 H 7.84 0.05 1 325 . 52 ILE H H 8.74 0.05 1 326 . 52 ILE HA H 3.32 0.05 1 327 . 52 ILE HB H 1.83 0.05 1 328 . 52 ILE HG12 H 1.6 0.05 2 329 . 52 ILE HG13 H 1.99 0.05 2 330 . 52 ILE HG2 H 1.19 0.05 1 331 . 52 ILE HD1 H 1.00 0.05 1 332 . 53 GLN H H 7.56 0.05 1 333 . 53 GLN HA H 3.74 0.05 1 334 . 53 GLN HB2 H 2.23 0.05 1 335 . 53 GLN HB3 H 2.09 0.05 1 336 . 53 GLN HG2 H 2.355 0.05 1 337 . 53 GLN HG3 H 2.355 0.05 1 338 . 53 GLN HE21 H 7.59 0.05 1 339 . 53 GLN HE22 H 6.85 0.05 1 340 . 54 THR H H 7.36 0.05 1 341 . 54 THR HA H 4.06 0.05 1 342 . 54 THR HB H 4.06 0.05 1 343 . 54 THR HG2 H 1.21 0.05 1 344 . 55 HIS H H 7.15 0.05 1 345 . 55 HIS HA H 4.11 0.05 1 346 . 55 HIS HB2 H 2.53 0.05 1 347 . 55 HIS HB3 H 1.12 0.05 1 348 . 55 HIS HD1 H 12.2 0.05 1 349 . 55 HIS HD2 H 5.99 0.05 1 350 . 55 HIS HE2 H 7.99 0.05 1 351 . 56 LEU H H 7.31 0.05 1 352 . 56 LEU HA H 4.23 0.05 1 353 . 56 LEU HB2 H 1.72 0.05 1 354 . 56 LEU HB3 H 1.72 0.05 1 355 . 56 LEU HG H 1.58 0.05 1 356 . 56 LEU HD1 H 0.9 0.05 1 357 . 56 LEU HD2 H 0.9 0.05 1 358 . 57 GLU H H 7.72 0.05 1 359 . 57 GLU HA H 4.24 0.05 1 360 . 57 GLU HB2 H 1.97 0.05 2 361 . 57 GLU HB3 H 2.05 0.05 2 362 . 57 GLU HG2 H 2.27 0.05 2 363 . 57 GLU HG3 H 2.37 0.05 2 364 . 58 ASP H H 8.17 0.05 1 365 . 58 ASP HA H 4.66 0.05 1 366 . 58 ASP HB2 H 2.63 0.05 2 367 . 58 ASP HB3 H 2.79 0.05 2 368 . 59 ARG H H 7.84 0.05 1 369 . 59 ARG HA H 4.2 0.05 1 370 . 59 ARG HB2 H 1.77 0.05 2 371 . 59 ARG HB3 H 1.9 0.05 2 372 . 59 ARG HG2 H 1.64 0.05 1 373 . 59 ARG HG3 H 1.64 0.05 1 374 . 59 ARG HD2 H 3.24 0.05 1 375 . 59 ARG HD3 H 3.24 0.05 1 376 . 59 ARG HE H 7.32 0.05 1 stop_ save_