data_5901 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Strucure of a CCHHC Domain of Neural Zinc Finger Factor-1 ; _BMRB_accession_number 5901 _BMRB_flat_file_name bmr5901.str _Entry_type original _Submission_date 2003-08-07 _Accession_date 2003-08-07 _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 Berkovits-Cymet H. J. . 2 Amann B. T. . 3 Berg J. M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 186 "15N chemical shifts" 40 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-03-07 original author . stop_ _Original_release_date 2004-03-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of a CCHHC Domain of Neural Zinc Finger Factor-1 and its Implications for DNA Binding ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14744132 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Berkovits-Cymet H. J. . 2 Amann B. T. . 3 Berg J. M. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 43 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 898 _Page_last 903 _Year 2004 _Details . loop_ _Keyword 'CCHHC zinc binding domain' 'neural zinc finger factor-1' 'DNA binding domain' stop_ save_ ################################## # Molecular system description # ################################## save_system_CCHHC _Saveframe_category molecular_system _Mol_system_name 'neural zinc finger transcription factor 1' _Abbreviation_common NZF-1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ZINC BINDING DOMAIN' $NZF-1(487-548) 'ZINC (II) ION' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all other bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NZF-1(487-548) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'neural zinc finger transcription factor 1' _Abbreviation_common NZF-1 _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 63 _Mol_residue_sequence ; MHVKKPYYDPSRTEKRESKC PTPGCDGTGHVTGLYPHHRS LSGCPHKDRVPPEILAMHEN VLK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 HIS 3 VAL 4 LYS 5 LYS 6 PRO 7 TYR 8 TYR 9 ASP 10 PRO 11 SER 12 ARG 13 THR 14 GLU 15 LYS 16 ARG 17 GLU 18 SER 19 LYS 20 CYS 21 PRO 22 THR 23 PRO 24 GLY 25 CYS 26 ASP 27 GLY 28 THR 29 GLY 30 HIS 31 VAL 32 THR 33 GLY 34 LEU 35 TYR 36 PRO 37 HIS 38 HIS 39 ARG 40 SER 41 LEU 42 SER 43 GLY 44 CYS 45 PRO 46 HIS 47 LYS 48 ASP 49 ARG 50 VAL 51 PRO 52 PRO 53 GLU 54 ILE 55 LEU 56 ALA 57 MET 58 HIS 59 GLU 60 ASN 61 VAL 62 LEU 63 LYS stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 1PXE 'Solution Structure Of A Cchhc Domain Of Neural Zinc Finger Factor-1' 100.00 63 100.00 100.00 3.94e-29 DBJ BAC34010 'unnamed protein product [Mus musculus]' 98.41 497 98.39 98.39 9.54e-30 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 09:56:56 2011 ; 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 $NZF-1(487-548) 10116 'Norway rat' Eukaryota Metazoa Rattus norvegicus 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 $NZF-1(487-548) 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3)PLYSS pNZF-1E 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 $NZF-1(487-548) 2.3 mM . ZnCl2 2.3 mM . 'deuterated Tris' 55 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NZF-1(487-548) 2.8 mM [U-15N] ZnCl2 2.8 mM . 'deuterated Tris' 36 mM . H2O 98 % . D2O 2 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NZF-1(487-548) 1.5 mM [U-15N] CdCl2 1.5 mM . 'deuterated Tris' 36 mM . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1b loop_ _Task collection stop_ _Details . save_ save_FELIX _Saveframe_category software _Name FELIX _Version 98 loop_ _Task processing stop_ _Details Accelrys save_ save_In_house_perl_scripts _Saveframe_category software _Name 'In house perl scripts' _Version . loop_ _Task 'data analysis' stop_ _Details 'Berkovits-Cymet, H.J., Amann, B.T.' save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Task 'structure solution' refinement stop_ _Details 'Gregory Warren, Michael Nilges, John Kuszewski, Marius Clore and Axel Brunger' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UNITYplus _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_DQF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label . save_ save_2D_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ save_2D_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _Sample_label . save_ save_15N_HSQC_LongRange_5 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC LongRange' _Sample_label . save_ save_3D_15N_HSQC-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N HSQC-TOCSY' _Sample_label . save_ save_3D_15N_HSQC-NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N HSQC-NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC LongRange' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N HSQC-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N HSQC-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.95 . n/a temperature 293 . K pressure 1 . atm stop_ save_ save_sample_cond_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.02 . n/a temperature 303 . K pressure 1 . atm stop_ save_ save_sample_cond_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.00 . n/a temperature 303 . K pressure 1 . atm 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_citation_label _Correction_value_citation_label H20 H 1 'secondary protons' ppm 4.83 internal direct . . . $entry_citation $entry_citation NH4Cl3 N 15 . ppm 0.0 external indirect . . . $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'ZINC 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 . 4 LYS HA H 4.33 0.04 1 2 . 4 LYS HB2 H 1.80 0.04 2 3 . 4 LYS HG2 H 1.43 0.04 2 4 . 4 LYS HE2 H 3.18 0.04 2 5 . 4 LYS HE3 H 3.00 0.04 2 6 . 4 LYS N N 120.5 0.2 1 7 . 8 TYR H H 7.83 0.04 1 8 . 8 TYR HA H 4.49 0.04 1 9 . 8 TYR HB2 H 2.88 0.04 2 10 . 8 TYR HD2 H 7.04 0.04 3 11 . 8 TYR HE2 H 6.80 0.04 3 12 . 8 TYR N N 120.7 0.2 1 13 . 9 ASP H H 7.87 0.04 1 14 . 9 ASP HA H 4.60 0.04 1 15 . 9 ASP HB2 H 3.12 0.04 2 16 . 9 ASP HB3 H 2.85 0.04 2 17 . 9 ASP N N 119.1 0.2 1 18 . 11 SER H H 8.40 0.04 1 19 . 11 SER HA H 4.38 0.04 1 20 . 11 SER HB2 H 3.94 0.04 2 21 . 11 SER N N 112.8 0.2 1 22 . 12 ARG H H 7.84 0.04 1 23 . 12 ARG HA H 4.40 0.04 1 24 . 12 ARG HB2 H 1.81 0.04 2 25 . 12 ARG HD2 H 3.21 0.04 2 26 . 12 ARG HG2 H 1.95 0.04 2 27 . 12 ARG HG3 H 1.63 0.04 2 28 . 12 ARG N N 119.9 0.2 1 29 . 13 THR H H 7.98 0.04 1 30 . 13 THR HA H 4.33 0.04 1 31 . 13 THR HB H 4.24 0.04 1 32 . 13 THR HG2 H 1.22 0.04 1 33 . 13 THR N N 112.2 0.2 1 34 . 14 GLU H H 8.35 0.04 1 35 . 14 GLU HA H 4.33 0.04 1 36 . 14 GLU HB2 H 1.99 0.04 2 37 . 14 GLU HG2 H 2.27 0.04 2 38 . 14 GLU N N 121.1 0.2 1 39 . 18 SER H H 8.35 0.04 1 40 . 18 SER HA H 4.50 0.04 1 41 . 18 SER HB2 H 3.88 0.04 2 42 . 18 SER N N 115.3 0.2 1 43 . 19 LYS H H 8.08 0.04 1 44 . 19 LYS HA H 4.48 0.04 1 45 . 19 LYS HB2 H 1.79 0.04 2 46 . 19 LYS HE2 H 2.96 0.04 2 47 . 19 LYS HD2 H 1.65 0.04 2 48 . 19 LYS HG2 H 1.35 0.04 2 49 . 19 LYS N N 119.9 0.2 1 50 . 20 CYS H H 8.46 0.04 1 51 . 20 CYS HA H 4.25 0.04 1 52 . 20 CYS HB2 H 2.73 0.04 1 53 . 20 CYS HB3 H 2.43 0.04 1 54 . 20 CYS N N 123.5 0.2 1 55 . 21 PRO HA H 4.63 0.04 1 56 . 22 THR H H 9.46 0.04 1 57 . 22 THR HA H 4.33 0.04 1 58 . 22 THR HB H 4.12 0.04 1 59 . 22 THR HG2 H 1.05 0.04 1 60 . 22 THR N N 125.7 0.2 1 61 . 25 CYS H H 7.87 0.04 1 62 . 25 CYS HA H 4.41 0.04 1 63 . 25 CYS HB2 H 3.26 0.04 1 64 . 25 CYS HB3 H 2.49 0.04 1 65 . 25 CYS N N 120.9 0.2 1 66 . 26 ASP H H 8.46 0.04 1 67 . 26 ASP HB2 H 2.72 0.04 2 68 . 26 ASP HB3 H 3.18 0.04 2 69 . 26 ASP N N 127.3 0.2 1 70 . 27 GLY H H 9.94 0.04 1 71 . 27 GLY HA2 H 4.10 0.04 2 72 . 27 GLY HA3 H 2.74 0.04 2 73 . 27 GLY N N 112.2 0.2 1 74 . 28 THR H H 8.18 0.04 1 75 . 28 THR HA H 4.57 0.04 1 76 . 28 THR HB H 4.32 0.04 1 77 . 28 THR HG2 H 1.35 0.04 1 78 . 28 THR N N 111.7 0.2 1 79 . 29 GLY H H 8.08 0.04 1 80 . 29 GLY HA2 H 4.33 0.04 2 81 . 29 GLY HA3 H 3.76 0.04 2 82 . 29 GLY N N 107.3 0.2 1 83 . 30 HIS H H 8.41 0.04 1 84 . 30 HIS HA H 4.66 0.04 1 85 . 30 HIS HB2 H 3.49 0.04 2 86 . 30 HIS HB3 H 2.65 0.04 2 87 . 30 HIS HD2 H 7.68 0.04 1 88 . 30 HIS HE1 H 8.10 0.04 1 89 . 30 HIS N N 114.3 0.2 1 90 . 31 VAL H H 8.01 0.04 1 91 . 31 VAL HA H 3.77 0.04 1 92 . 31 VAL HB H 1.46 0.04 1 93 . 31 VAL HG2 H 0.98 0.04 1 94 . 31 VAL HG1 H 0.88 0.04 1 95 . 31 VAL N N 128.6 0.2 1 96 . 32 THR H H 9.36 0.04 1 97 . 32 THR HA H 4.45 0.04 1 98 . 32 THR HB H 4.43 0.04 1 99 . 32 THR HG2 H 1.59 0.04 1 100 . 32 THR N N 110.5 0.2 1 101 . 33 GLY H H 8.35 0.04 1 102 . 33 GLY HA2 H 4.20 0.04 2 103 . 33 GLY HA3 H 4.07 0.04 2 104 . 33 GLY N N 106.3 0.2 1 105 . 34 LEU H H 7.60 0.04 1 106 . 34 LEU HA H 4.05 0.04 1 107 . 34 LEU HB2 H 0.92 0.04 2 108 . 34 LEU HB3 H 0.72 0.04 2 109 . 34 LEU HG H 1.23 0.04 1 110 . 34 LEU HD1 H 0.72 0.04 2 111 . 34 LEU N N 114.7 0.2 1 112 . 35 TYR H H 6.39 0.04 1 113 . 35 TYR HA H 5.02 0.04 1 114 . 35 TYR HB2 H 3.31 0.04 1 115 . 35 TYR HB3 H 2.37 0.04 1 116 . 35 TYR HE1 H 6.62 0.04 3 117 . 35 TYR HD2 H 6.28 0.04 3 118 . 35 TYR N N 110.7 0.2 1 119 . 36 PRO HA H 4.52 0.04 1 120 . 37 HIS H H 7.29 0.04 1 121 . 37 HIS HA H 5.67 0.04 1 122 . 37 HIS HB3 H 3.26 0.04 1 123 . 37 HIS HB2 H 3.01 0.04 1 124 . 37 HIS HD2 H 6.83 0.04 1 125 . 37 HIS HE1 H 7.76 0.04 1 126 . 37 HIS N N 114.8 0.2 1 127 . 38 HIS H H 8.76 0.04 1 128 . 38 HIS HA H 5.22 0.04 1 129 . 38 HIS HB2 H 3.35 0.04 1 130 . 38 HIS HB3 H 3.25 0.04 1 131 . 38 HIS HE1 H 7.65 0.04 1 132 . 38 HIS HD2 H 7.18 0.04 1 133 . 38 HIS HD1 H 11.55 0.04 1 134 . 38 HIS N N 110.7 0.2 1 135 . 40 SER H H 7.65 0.04 1 136 . 40 SER HA H 4.79 0.04 1 137 . 40 SER HB2 H 4.21 0.04 2 138 . 40 SER HB3 H 3.89 0.04 2 139 . 40 SER N N 109.4 0.2 1 140 . 41 LEU H H 9.08 0.04 1 141 . 41 LEU HA H 4.30 0.04 1 142 . 41 LEU HB2 H 1.67 0.04 2 143 . 41 LEU HG H 1.57 0.04 1 144 . 41 LEU HD1 H 0.95 0.04 2 145 . 41 LEU HD2 H 0.35 0.04 2 146 . 41 LEU N N 121.0 0.2 1 147 . 43 GLY H H 7.46 0.04 1 148 . 43 GLY HA2 H 3.15 0.04 1 149 . 43 GLY HA3 H 3.89 0.04 1 150 . 43 GLY N N 105.4 0.2 1 151 . 44 CYS H H 7.47 0.04 1 152 . 44 CYS HA H 2.74 0.04 1 153 . 44 CYS HB3 H 2.96 0.04 1 154 . 44 CYS HB2 H 3.16 0.04 1 155 . 44 CYS N N 124.6 0.2 1 156 . 46 HIS H H 8.68 0.04 1 157 . 46 HIS HA H 4.88 0.04 1 158 . 46 HIS HB2 H 3.25 0.04 2 159 . 46 HIS HB3 H 2.97 0.04 2 160 . 46 HIS HE1 H 7.86 0.04 1 161 . 46 HIS HD2 H 7.53 0.04 1 162 . 46 HIS N N 118.7 0.2 1 163 . 47 LYS H H 7.33 0.04 1 164 . 47 LYS HA H 4.05 0.04 1 165 . 47 LYS HB2 H 1.88 0.04 2 166 . 47 LYS HG2 H 1.42 0.04 2 167 . 47 LYS N N 117.3 0.2 1 168 . 48 ASP H H 8.56 0.04 1 169 . 48 ASP HA H 4.59 0.04 1 170 . 48 ASP HB2 H 2.73 0.04 2 171 . 48 ASP HB3 H 2.66 0.04 2 172 . 48 ASP N N 116.2 0.2 1 173 . 49 ARG H H 7.95 0.04 1 174 . 49 ARG HA H 4.41 0.04 1 175 . 49 ARG HB2 H 1.85 0.04 2 176 . 49 ARG HB3 H 1.95 0.04 2 177 . 49 ARG HD2 H 3.18 0.04 2 178 . 49 ARG HG2 H 1.68 0.04 2 179 . 49 ARG N N 116.8 0.2 1 180 . 50 VAL H H 8.11 0.04 1 181 . 50 VAL HA H 4.11 0.04 1 182 . 50 VAL HB H 2.03 0.04 1 183 . 50 VAL HG2 H 0.91 0.04 2 184 . 50 VAL N N 120.1 0.2 1 185 . 53 GLU H H 9.30 0.04 1 186 . 53 GLU HA H 4.19 0.04 1 187 . 53 GLU HB2 H 2.03 0.04 2 188 . 53 GLU HG2 H 2.32 0.04 2 189 . 53 GLU N N 116.4 0.2 1 190 . 54 ILE H H 7.66 0.04 1 191 . 54 ILE HA H 4.11 0.04 1 192 . 54 ILE HB H 2.00 0.04 1 193 . 54 ILE HG2 H 0.91 0.04 1 194 . 54 ILE HD1 H 0.88 0.04 1 195 . 54 ILE HG13 H 1.53 0.04 2 196 . 54 ILE HG12 H 1.32 0.04 2 197 . 54 ILE N N 118.1 0.2 1 198 . 55 LEU H H 7.78 0.04 1 199 . 55 LEU HA H 4.13 0.04 1 200 . 55 LEU HB2 H 1.66 0.04 2 201 . 55 LEU HD1 H 0.91 0.04 2 202 . 55 LEU HG H 1.66 0.04 1 203 . 55 LEU N N 120.8 0.2 1 204 . 56 ALA H H 7.99 0.04 1 205 . 56 ALA HA H 4.25 0.04 1 206 . 56 ALA HB H 1.42 0.04 1 207 . 56 ALA N N 118.4 0.2 1 208 . 57 MET H H 7.72 0.04 1 209 . 57 MET HA H 4.34 0.04 1 210 . 57 MET HB2 H 2.09 0.04 2 211 . 57 MET HG2 H 2.65 0.04 2 212 . 57 MET HG3 H 2.52 0.04 2 213 . 57 MET N N 114.9 0.2 1 214 . 60 ASN H H 8.42 0.04 1 215 . 60 ASN HA H 4.75 0.04 1 216 . 60 ASN HB2 H 2.83 0.04 1 217 . 60 ASN HB3 H 2.83 0.04 1 218 . 60 ASN HD21 H 7.57 0.04 2 219 . 60 ASN HD22 H 6.90 0.04 2 220 . 60 ASN N N 116.9 0.2 1 221 . 62 LEU H H 8.18 0.04 1 222 . 62 LEU HA H 4.41 0.04 1 223 . 62 LEU HB2 H 1.65 0.04 2 224 . 62 LEU HG H 1.65 0.04 1 225 . 62 LEU HD2 H 0.90 0.04 2 226 . 62 LEU N N 123.5 0.2 1 stop_ save_