data_2956 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Importance of Protein and DNA Phosphate Ester Backbone Flexibility in Protein-DNA Recognition ; _BMRB_accession_number 2956 _BMRB_flat_file_name bmr2956.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-03-25 _Entry_origination BMRB _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 Wisniowski Paul . . 2 Karslake Christine . . 3 Piotto Martial E. . 4 Spangler Brenda D. . 5 Moulin Anne-Claire . . 6 Nikonowicz Edward P. . 7 Kaluarachchi Kumaralal . . 8 Gorenstein David G. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 252 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-17 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Wisniowski, Paul, Karslake, Christine, Piotto, Martial E., Spangler, Brenda D., Moulin, Anne-Claire, Nikonowicz, Edward P., Kaluarachchi, Kumaralal, Gorenstein, David G., "Importance of Protein and DNA Phosphate Ester Backbone Flexibility in Protein-DNA Recognition," Structure and Function 2, 17-54 (1992). ; _Citation_title ; Importance of Protein and DNA Phosphate Ester Backbone Flexibility in Protein-DNA Recognition ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wisniowski Paul . . 2 Karslake Christine . . 3 Piotto Martial E. . 4 Spangler Brenda D. . 5 Moulin Anne-Claire . . 6 Nikonowicz Edward P. . 7 Kaluarachchi Kumaralal . . 8 Gorenstein David G. . stop_ _Journal_abbreviation 'Structure and Function' _Journal_volume 2 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 17 _Page_last 54 _Year 1992 _Details . save_ ################################## # Molecular system description # ################################## save_system_lac_repressor_headpiece _Saveframe_category molecular_system _Mol_system_name 'lac repressor headpiece' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'lac repressor headpiece' $lac_repressor_headpiece stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_lac_repressor_headpiece _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'lac repressor headpiece' _Name_variant 'residues 1-56 Y7I' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 56 _Mol_residue_sequence ; MKPVTLIDVAEYAGVSYQTV SRVVNQASHVSAKTREKVEA AMAELNYIPNRVAQQL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 PRO 4 VAL 5 THR 6 LEU 7 ILE 8 ASP 9 VAL 10 ALA 11 GLU 12 TYR 13 ALA 14 GLY 15 VAL 16 SER 17 TYR 18 GLN 19 THR 20 VAL 21 SER 22 ARG 23 VAL 24 VAL 25 ASN 26 GLN 27 ALA 28 SER 29 HIS 30 VAL 31 SER 32 ALA 33 LYS 34 THR 35 ARG 36 GLU 37 LYS 38 VAL 39 GLU 40 ALA 41 ALA 42 MET 43 ALA 44 GLU 45 LEU 46 ASN 47 TYR 48 ILE 49 PRO 50 ASN 51 ARG 52 VAL 53 ALA 54 GLN 55 GLN 56 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-23 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 1066 "lac repressor headpiece" 100.00 60 98.21 98.21 1.11e-29 BMRB 127 "lac repressor headpiece" 91.07 51 98.04 98.04 3.03e-26 BMRB 1494 "lac repressor headpiece" 100.00 56 98.21 98.21 1.01e-29 BMRB 1552 "lac repressor headpiece" 91.07 51 98.04 98.04 3.03e-26 BMRB 32 "lac repressor headpiece" 91.07 51 98.04 98.04 3.03e-26 PDB 1CJG "Nmr Structure Of Lac Repressor Hp62-Dna Complex" 100.00 62 98.21 98.21 8.72e-30 PDB 1EFA "Crystal Structure Of The Lac Repressor Dimer Bound To Operator And The Anti-Inducer Onpf" 100.00 333 98.21 98.21 1.45e-27 PDB 1JWL "Structure Of The Dimeric Lac RepressorOPERATOR O1ONPF Complex" 100.00 333 98.21 98.21 1.45e-27 PDB 1JYE "Structure Of A Dimeric Lac Repressor With C-Terminal Deletion And K84l Substitution" 100.00 349 98.21 98.21 1.59e-27 PDB 1JYF "Structure Of The Dimeric Lac Repressor With An 11-Residue C-Terminal Deletion" 100.00 349 98.21 98.21 1.65e-27 PDB 1LBG "Lactose Operon Repressor Bound To 21-Base Pair Symmetric Operator Dna, Alpha Carbons Only" 100.00 360 98.21 98.21 1.69e-27 PDB 1LBH "Intact Lactose Operon Repressor With Gratuitous Inducer Iptg" 100.00 360 98.21 98.21 1.69e-27 PDB 1LBI "Lac Repressor" 100.00 360 98.21 98.21 1.69e-27 PDB 1LCC "Structure Of The Complex Of Lac Repressor Headpiece And An 11 Base-pair Half-operator Determined By Nuclear Magnetic Resonance " 91.07 51 98.04 98.04 3.03e-26 PDB 1LCD "Structure Of The Complex Of Lac Repressor Headpiece And An 11 Base-pair Half-operator Determined By Nuclear Magnetic Resonance " 91.07 51 98.04 98.04 3.03e-26 PDB 1LQC "Lac Repressor Headpiece (Residues 1-56), Nmr, 32 Structures" 100.00 56 98.21 98.21 1.01e-29 PDB 2PE5 "Crystal Structure Of The Lac Repressor Bound To Onpg In Repressed State" 98.21 330 98.18 98.18 8.84e-27 PDB 3EDC "Crystal Structure Of A 1.6-Hexanediol Bound Tetrameric Form Of Escherichia Coli Lac-Repressor Refined To 2.1 Resolution" 100.00 360 98.21 98.21 1.64e-27 DBJ BAB20667 "LacI [Cloning vector pCA24N]" 100.00 360 98.21 98.21 1.64e-27 DBJ BAB33821 "transcriptional repressor of the lac operon [Escherichia coli O157:H7 str. Sakai]" 100.00 360 98.21 98.21 1.55e-27 DBJ BAD00175 "LacI repressor protein [Cloning vector pGETS109]" 100.00 360 98.21 98.21 1.69e-27 DBJ BAD20286 "lactose repressor [Expression vector pCop-H1]" 100.00 360 98.21 98.21 1.64e-27 DBJ BAD20288 "lactose repressor [Expression vector pCop-H2]" 100.00 360 98.21 98.21 1.64e-27 EMBL CAA07594 "lac repressor [Cloning vector pEH1]" 100.00 360 98.21 98.21 1.48e-27 EMBL CAA07597 "lac repressor [Cloning vector pEH3]" 100.00 360 98.21 98.21 1.48e-27 EMBL CAA11118 "lacI [synthetic construct]" 100.00 360 98.21 98.21 1.64e-27 EMBL CAA11119 "lacI [synthetic construct]" 100.00 360 98.21 98.21 1.64e-27 EMBL CAA11120 "lacI [synthetic construct]" 100.00 360 98.21 98.21 1.64e-27 GB AAA24052 "lac repressor protein (gtg start codon) [Escherichia coli]" 100.00 360 98.21 98.21 1.48e-27 GB AAA56744 "lac repressor protein [unidentified cloning vector]" 100.00 360 98.21 98.21 1.64e-27 GB AAA56768 "lac operon repressor [Cloning vector pSIT]" 100.00 360 98.21 98.21 1.48e-27 GB AAA57088 "lac repressor [unidentified cloning vector]" 100.00 360 98.21 98.21 1.64e-27 GB AAA57091 "lac repressor [unidentified cloning vector]" 100.00 360 98.21 98.21 1.64e-27 REF NP_414879 "lactose-inducible lac operon transcriptional repressor [Escherichia coli str. K-12 substr. MG1655]" 100.00 360 98.21 98.21 1.64e-27 REF WP_000805889 "lac repressor [Escherichia coli]" 100.00 360 98.21 98.21 1.47e-27 REF WP_000805899 "lac repressor [Escherichia coli]" 100.00 360 98.21 98.21 1.80e-27 REF WP_000805902 "MULTISPECIES: lactose operon repressor [Bacteria][Archaea]" 100.00 360 98.21 98.21 1.64e-27 REF WP_000805913 "lac repressor [Escherichia coli]" 100.00 360 98.21 98.21 1.56e-27 SP P03023 "RecName: Full=Lactose operon repressor" 100.00 360 98.21 98.21 1.64e-27 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $lac_repressor_headpiece 'E. coli' 562 Eubacteria . Escherichia coli 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 $lac_repressor_headpiece 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6 . na temperature 295 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H . . ppm 0 . . . . . $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_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name 'lac repressor headpiece' _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 . 3 PRO HA H 4.48 . 1 2 . 3 PRO HB2 H 2.28 . 2 3 . 3 PRO HB3 H 1.85 . 2 4 . 3 PRO HG2 H 2.03 . 2 5 . 3 PRO HG3 H 2 . 2 6 . 3 PRO HD2 H 3.46 . 1 7 . 3 PRO HD3 H 3.46 . 1 8 . 4 VAL H H 8.32 . 1 9 . 4 VAL HA H 4.33 . 1 10 . 4 VAL HB H 1.36 . 1 11 . 4 VAL HG1 H 1.05 . 2 12 . 4 VAL HG2 H 1.14 . 2 13 . 5 THR H H 8.06 . 1 14 . 5 THR HA H 4.19 . 1 15 . 5 THR HB H 4.06 . 1 16 . 5 THR HG2 H .88 . 1 17 . 6 LEU HB2 H 1.17 . 1 18 . 6 LEU HB3 H 1.17 . 1 19 . 6 LEU HG H 1.43 . 1 20 . 6 LEU HD1 H .34 . 1 21 . 6 LEU HD2 H .34 . 1 22 . 7 ILE H H 7.56 . 1 23 . 7 ILE HA H 3.81 . 1 24 . 7 ILE HB H 1.9 . 1 25 . 7 ILE HG12 H 1.52 . 1 26 . 7 ILE HG13 H 1.52 . 1 27 . 7 ILE HG2 H .8 . 1 28 . 7 ILE HD1 H .68 . 1 29 . 8 ASP H H 7.6 . 1 30 . 8 ASP HA H 4.52 . 1 31 . 8 ASP HB2 H 3.2 . 1 32 . 8 ASP HB3 H 3.2 . 1 33 . 9 VAL H H 7.61 . 1 34 . 9 VAL HA H 3.1 . 1 35 . 9 VAL HB H 1.68 . 1 36 . 9 VAL HG1 H .77 . 1 37 . 9 VAL HG2 H .77 . 1 38 . 10 ALA H H 8.01 . 1 39 . 10 ALA HA H 3.73 . 1 40 . 10 ALA HB H 1.52 . 1 41 . 11 GLU H H 8.24 . 1 42 . 11 GLU HA H 4.05 . 1 43 . 11 GLU HB2 H 2.1 . 2 44 . 11 GLU HB3 H 2.16 . 2 45 . 11 GLU HG2 H 2.3 . 2 46 . 11 GLU HG3 H 2.48 . 2 47 . 12 TYR H H 8.11 . 1 48 . 12 TYR HA H 4.07 . 1 49 . 12 TYR HB2 H 2.95 . 2 50 . 12 TYR HB3 H 3.2 . 2 51 . 12 TYR HD1 H 7.02 . 1 52 . 12 TYR HD2 H 7.02 . 1 53 . 12 TYR HE1 H 6.8 . 1 54 . 12 TYR HE2 H 6.8 . 1 55 . 13 ALA H H 8.52 . 1 56 . 13 ALA HA H 4.23 . 1 57 . 13 ALA HB H 1.32 . 1 58 . 14 GLY H H 8 . 1 59 . 14 GLY HA2 H 3.9 . 1 60 . 14 GLY HA3 H 3.9 . 1 61 . 15 VAL H H 7.84 . 1 62 . 15 VAL HB H 2.23 . 1 63 . 15 VAL HG1 H .65 . 2 64 . 15 VAL HG2 H .95 . 2 65 . 16 SER H H 8.52 . 1 66 . 16 SER HA H 4.43 . 1 67 . 17 TYR H H 9.09 . 1 68 . 17 TYR HA H 3.79 . 1 69 . 17 TYR HB2 H 2.87 . 2 70 . 17 TYR HB3 H 3.04 . 2 71 . 17 TYR HD1 H 6.82 . 1 72 . 17 TYR HD2 H 6.82 . 1 73 . 17 TYR HE1 H 6.72 . 1 74 . 17 TYR HE2 H 6.72 . 1 75 . 18 GLN H H 8.64 . 1 76 . 18 GLN HA H 3.83 . 1 77 . 18 GLN HB2 H 1.97 . 1 78 . 18 GLN HB3 H 1.97 . 1 79 . 18 GLN HG2 H 2.42 . 1 80 . 18 GLN HG3 H 2.42 . 1 81 . 19 THR H H 8.01 . 1 82 . 19 THR HA H 3.73 . 1 83 . 19 THR HB H 4.15 . 1 84 . 20 VAL H H 7.68 . 1 85 . 20 VAL HA H 3.36 . 1 86 . 20 VAL HB H 1.96 . 1 87 . 20 VAL HG1 H .76 . 2 88 . 20 VAL HG2 H .82 . 2 89 . 21 SER H H 8.18 . 1 90 . 21 SER HA H 3.79 . 1 91 . 21 SER HB2 H 3.73 . 1 92 . 21 SER HB3 H 3.73 . 1 93 . 22 ARG H H 7.91 . 1 94 . 22 ARG HA H 4.08 . 1 95 . 22 ARG HB2 H 2.07 . 2 96 . 22 ARG HB3 H 2.28 . 2 97 . 22 ARG HG2 H 1.82 . 1 98 . 22 ARG HG3 H 1.82 . 1 99 . 22 ARG HD2 H 2.97 . 1 100 . 22 ARG HD3 H 2.97 . 1 101 . 23 VAL H H 7.84 . 1 102 . 23 VAL HA H 3.55 . 1 103 . 23 VAL HB H 2.28 . 1 104 . 23 VAL HG1 H .92 . 2 105 . 23 VAL HG2 H .98 . 2 106 . 24 VAL H H 8.16 . 1 107 . 24 VAL HA H 3.83 . 1 108 . 24 VAL HB H 1.92 . 1 109 . 24 VAL HG1 H .94 . 2 110 . 24 VAL HG2 H .97 . 2 111 . 25 ASN H H 8.06 . 1 112 . 25 ASN HA H 4.71 . 1 113 . 25 ASN HB2 H 2.77 . 2 114 . 25 ASN HB3 H 2.83 . 2 115 . 25 ASN HD21 H 6.93 . 2 116 . 25 ASN HD22 H 7.43 . 2 117 . 26 GLN H H 8.18 . 1 118 . 26 GLN HA H 4.21 . 1 119 . 26 GLN HB2 H 2.08 . 2 120 . 26 GLN HB3 H 2.14 . 2 121 . 26 GLN HG2 H 2.26 . 1 122 . 26 GLN HG3 H 2.26 . 1 123 . 26 GLN HE21 H 6.78 . 2 124 . 26 GLN HE22 H 7.45 . 2 125 . 27 ALA H H 8.31 . 1 126 . 27 ALA HA H 4.26 . 1 127 . 27 ALA HB H 1.55 . 1 128 . 28 SER H H 8.25 . 1 129 . 28 SER HA H 4.26 . 1 130 . 28 SER HB2 H 4.2 . 1 131 . 28 SER HB3 H 4.2 . 1 132 . 29 HIS H H 8.53 . 1 133 . 29 HIS HA H 4.43 . 1 134 . 29 HIS HB2 H 2.95 . 1 135 . 29 HIS HB3 H 2.95 . 1 136 . 29 HIS HD2 H 7 . 1 137 . 29 HIS HE1 H 8.13 . 1 138 . 30 VAL H H 7.54 . 1 139 . 30 VAL HA H 4.19 . 1 140 . 30 VAL HG1 H .8 . 2 141 . 30 VAL HG2 H .95 . 2 142 . 31 SER H H 8.84 . 1 143 . 31 SER HA H 4.16 . 1 144 . 31 SER HB2 H 3.98 . 1 145 . 31 SER HB3 H 3.98 . 1 146 . 33 LYS H H 8.18 . 1 147 . 33 LYS HA H 4.32 . 1 148 . 33 LYS HB2 H 1.82 . 1 149 . 33 LYS HB3 H 1.82 . 1 150 . 33 LYS HG2 H 1.57 . 1 151 . 33 LYS HG3 H 1.57 . 1 152 . 33 LYS HD2 H 1.71 . 1 153 . 33 LYS HD3 H 1.71 . 1 154 . 33 LYS HE2 H 3.16 . 1 155 . 33 LYS HE3 H 3.16 . 1 156 . 34 THR H H 7.7 . 1 157 . 34 THR HA H 3.8 . 1 158 . 34 THR HG2 H .84 . 1 159 . 35 ARG H H 8.58 . 1 160 . 35 ARG HA H 3.64 . 1 161 . 36 GLU H H 8.37 . 1 162 . 36 GLU HA H 4.08 . 1 163 . 36 GLU HB2 H 2.22 . 1 164 . 36 GLU HB3 H 2.22 . 1 165 . 37 LYS H H 7.67 . 1 166 . 37 LYS HA H 4.18 . 1 167 . 38 VAL H H 8.09 . 1 168 . 38 VAL HA H 3.45 . 1 169 . 38 VAL HB H 2.17 . 1 170 . 38 VAL HG1 H .87 . 2 171 . 38 VAL HG2 H .9 . 2 172 . 39 GLU H H 9 . 1 173 . 39 GLU HA H 4.02 . 1 174 . 39 GLU HB2 H 2.08 . 1 175 . 39 GLU HB3 H 2.08 . 1 176 . 39 GLU HG2 H 2.42 . 1 177 . 39 GLU HG3 H 2.42 . 1 178 . 40 ALA H H 8.3 . 1 179 . 40 ALA HA H 4.26 . 1 180 . 40 ALA HB H 1.55 . 1 181 . 41 ALA H H 7.56 . 1 182 . 41 ALA HA H 4.11 . 1 183 . 41 ALA HB H 1.67 . 1 184 . 42 MET H H 8.44 . 1 185 . 42 MET HA H 3.68 . 1 186 . 42 MET HB2 H 2.03 . 1 187 . 42 MET HB3 H 2.03 . 1 188 . 42 MET HG2 H 2.42 . 1 189 . 42 MET HG3 H 2.42 . 1 190 . 42 MET HE H 2.23 . 1 191 . 43 ALA H H 7.76 . 1 192 . 43 ALA HA H 4.24 . 1 193 . 43 ALA HB H 1.55 . 1 194 . 44 GLU H H 8.28 . 1 195 . 44 GLU HA H 3.97 . 1 196 . 44 GLU HB2 H 1.94 . 2 197 . 44 GLU HB3 H 2.08 . 2 198 . 45 LEU H H 7.66 . 1 199 . 45 LEU HA H 4.18 . 1 200 . 45 LEU HB2 H 1.36 . 1 201 . 45 LEU HB3 H 1.36 . 1 202 . 45 LEU HD1 H .48 . 1 203 . 45 LEU HD2 H .48 . 1 204 . 46 ASN H H 7.73 . 1 205 . 46 ASN HA H 4.24 . 1 206 . 46 ASN HB2 H 2.68 . 2 207 . 46 ASN HB3 H 3.1 . 2 208 . 46 ASN HD21 H 6.73 . 2 209 . 46 ASN HD22 H 7.38 . 2 210 . 47 TYR H H 8.4 . 1 211 . 47 TYR HA H 4.03 . 1 212 . 47 TYR HB2 H 2.47 . 2 213 . 47 TYR HB3 H 2.56 . 2 214 . 47 TYR HD1 H 6.75 . 1 215 . 47 TYR HD2 H 6.75 . 1 216 . 47 TYR HE1 H 6.6 . 1 217 . 47 TYR HE2 H 6.6 . 1 218 . 49 PRO HA H 4.26 . 1 219 . 49 PRO HB2 H 1.95 . 2 220 . 49 PRO HB3 H 2.35 . 2 221 . 50 ASN H H 8.36 . 1 222 . 50 ASN HA H 4.6 . 1 223 . 50 ASN HB2 H 2.73 . 2 224 . 50 ASN HB3 H 2.78 . 2 225 . 51 ARG H H 7.91 . 1 226 . 51 ARG HA H 4.14 . 1 227 . 51 ARG HB2 H 2.07 . 2 228 . 51 ARG HB3 H 2.28 . 2 229 . 51 ARG HG2 H 1.9 . 1 230 . 51 ARG HG3 H 1.9 . 1 231 . 51 ARG HD2 H 3.3 . 1 232 . 51 ARG HD3 H 3.3 . 1 233 . 52 VAL H H 7.88 . 1 234 . 52 VAL HA H 4.01 . 1 235 . 52 VAL HB H 2.25 . 1 236 . 52 VAL HG1 H 1.43 . 1 237 . 52 VAL HG2 H 1.43 . 1 238 . 53 ALA H H 7.56 . 1 239 . 53 ALA HA H 4.13 . 1 240 . 53 ALA HB H 1.03 . 1 241 . 54 GLN H H 7.65 . 1 242 . 54 GLN HA H 4.11 . 1 243 . 54 GLN HB2 H 1.95 . 1 244 . 54 GLN HB3 H 1.95 . 1 245 . 55 GLN H H 8.12 . 1 246 . 55 GLN HA H 4.35 . 1 247 . 55 GLN HB2 H 2.6 . 1 248 . 55 GLN HB3 H 2.6 . 1 249 . 55 GLN HG2 H 3.28 . 1 250 . 55 GLN HG3 H 3.28 . 1 251 . 55 GLN HE21 H 6.79 . 2 252 . 55 GLN HE22 H 7.37 . 2 stop_ save_