data_2039 #Corrected using PDB structure: 1AE3_ # #N.B. (Observed* = Observed shift + Offset correction) # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.08 N/A N/A N/A N/A -0.19 # #bmr2039.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr2039.str file): #HA CA CB CO N HN #N/A N/A N/A N/A N/A N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.03 N/A N/A N/A N/A +/-0.08 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.904 N/A N/A N/A N/A 0.671 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.120 N/A N/A N/A N/A 0.357 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-specific 1H-NMR assignment and secondary structure of the Tyr41->His mutant of the single-stranded DNA binding protein, gene V protein, encoded by the filamentous bacteriophage M13 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Folkers P. J.M. . 2 'van Duynhoven' John P.M. . 3 Jonker Aafke J. . 4 Harmsen B. J.M. . 5 Konings R. N.H. . 6 Hilbers C. W. . stop_ _BMRB_accession_number 2039 _BMRB_flat_file_name bmr2039.str _Entry_type revision _Submission_date 1995-07-31 _Accession_date 1996-04-13 _Entry_origination BMRB _NMR_STAR_version 2.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 453 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-04-13 revision BMRB 'Link to the Protein Data Bank added' 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 ; Folkers, P.J.M., van Duynhoven, John P.M., Jonker, Aafke J., Harmsen, B.J.M., Konings, R.N.H., Hilbers, C. W., "Sequence-specific 1H-NMR assignment and secondary structure of the Tyr41->His mutant of the single-stranded DNA binding protein, gene V protein, encoded by the filamentous bacteriophage M13," Eur. J. Biochem. 202, 349-360 (1991). ; _Citation_title ; Sequence-specific 1H-NMR assignment and secondary structure of the Tyr41->His mutant of the single-stranded DNA binding protein, gene V protein, encoded by the filamentous bacteriophage M13 ; _Citation_status published _Citation_type journal _MEDLINE_UI_code ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Folkers P. J.M. . 2 'van Duynhoven' John P.M. . 3 Jonker Aafke J. . 4 Harmsen B. J.M. . 5 Konings R. N.H. . 6 Hilbers C. W. . stop_ _Journal_abbreviation 'Eur. J. Biochem.' _Journal_volume 202 _Page_first 349 _Page_last 360 _Year 1991 save_ ################################## # Molecular system description # ################################## save_system_gene_V_protein _Saveframe_category molecular_system _Mol_system_name 'gene V protein' _Abbreviation_common ? loop_ _Mol_system_component_name _Mol_label 'gene V protein' $gene_V_protein stop_ _System_physical_state ? _System_oligomer_state ? _System_paramagnetic ? loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1YHA "A Chain A, Gene V Protein Mutant With Tyr 41 Replaced By His (Y41h)" . PDB 2GVA "A Chain A, Mol_id: 1; Molecule: Gene V Protein; Chain: A, B; Mutation: Y41h" . PDB 2GVB "A Chain A, Mol_id: 1; Molecule: Gene V Protein; Chain: A, B; Mutation: Y41h" . PDB 1VQB "Gene V Protein (Single-Stranded Dna Binding Protein)" . PDB 2GN5 "Gene 5 DNA Binding Protein" . PDB 1GVP "Gene V Protein (Single-Stranded Dna Binding Protein)" . stop_ save_ ######################## # Monomeric polymers # ######################## save_gene_V_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'gene V protein' _Name_variant H41Y _Abbreviation_common ? ############################## # Polymer residue sequence # ############################## _Residue_count 87 _Mol_residue_sequence ; MIKVEIKPSQAQFTTRSGVS RQGKPYSLNEQLCYVDLGNE HPVLVKITLDEGQPAYAPGL YTVHLSSFKVGQFGSLMIDR LRLVPAK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ILE 3 LYS 4 VAL 5 GLU 6 ILE 7 LYS 8 PRO 9 SER 10 GLN 11 ALA 12 GLN 13 PHE 14 THR 15 THR 16 ARG 17 SER 18 GLY 19 VAL 20 SER 21 ARG 22 GLN 23 GLY 24 LYS 25 PRO 26 TYR 27 SER 28 LEU 29 ASN 30 GLU 31 GLN 32 LEU 33 CYS 34 TYR 35 VAL 36 ASP 37 LEU 38 GLY 39 ASN 40 GLU 41 HIS 42 PRO 43 VAL 44 LEU 45 VAL 46 LYS 47 ILE 48 THR 49 LEU 50 ASP 51 GLU 52 GLY 53 GLN 54 PRO 55 ALA 56 TYR 57 ALA 58 PRO 59 GLY 60 LEU 61 TYR 62 THR 63 VAL 64 HIS 65 LEU 66 SER 67 SER 68 PHE 69 LYS 70 VAL 71 GLY 72 GLN 73 PHE 74 GLY 75 SER 76 LEU 77 MET 78 ILE 79 ASP 80 ARG 81 LEU 82 ARG 83 LEU 84 VAL 85 PRO 86 ALA 87 LYS stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-07-16 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 1AE3 "Mutant R82c Of Gene V Protein(Single-Stranded Dna Binding Protein)" 101.16 86 98 99 10e-42 PDB 1YHA "A Chain A, Gene V Protein Mutant With Tyr 41Replaced By His (Y41h)" 100.00 87 100 100 8e-44 PDB 2GVA "A Chain A, Mol_id: 1; Molecule: Gene VProtein; Chain: A, B; Mutation: Y41h" 100.00 87 100 100 8e-44 PDB 2GVB "A Chain A, Mol_id: 1; Molecule: Gene VProtein; Chain: A, B; Mutation: Y41h" 100.00 87 100 100 8e-44 PDB 1GVP "Gene V Protein (Single-Stranded Dna BindingProtein)" 100.00 87 99 100 4e-43 PDB 1VQB "Gene V Protein (Single-Stranded Dna BindingProtein)" 100.00 87 99 100 4e-43 PDB 1YHB "Gene V Protein Mutant With Tyr 41 ReplacedBy Phe (Y41f)" 100.00 87 99 99 8e-43 PDB 2GN5 "Gene 5 DNA Binding Protein" 100.00 87 99 100 4e-43 PDB 1AE2 "Mutant L32r Of Gene V Protein(Single-Stranded Dna Binding Protein)" 100.00 87 98 99 2e-42 PDB 1GKH "Mutant K69h Of Gene V Protein(Single-Stranded Dna Binding Protein)" 100.00 87 98 99 2e-42 PDB 1VQG "Gene V Protein Mutant With Ile 47 ReplacedBy Leu 47 (I47l)" 100.00 87 98 100 6e-43 PDB 1VQH "Gene V Protein Mutant With Ile 47 ReplacedBy Met 47 (I47m)" 100.00 87 98 100 8e-43 PDB 1VQI "Gene V Protein Mutant With Ile 47 ReplacedBy Val 47 (I47v)" 100.00 87 98 100 5e-43 PDB 1VQJ "Gene V Protein Mutant With Val 35 ReplacedBy Ile 35 (V35i)" 100.00 87 98 100 5e-43 EMBL CAA23858.1 "unnamed protein product [Enterobacteriaphage M13]" 100.00 87 99 100 4e-43 EMBL CAA23868.1 "unnamed protein product [Enterobacteriaphage f1]" 100.00 87 99 100 4e-43 GenBank AAA32211.1 "protein V" 100.00 87 99 100 4e-43 GenBank AAA32305.1 "V [Enterobacteria phage fd]" 100.00 87 99 100 4e-43 GenBank AAF75603.1 "cytosolic single-stranded DNA bindingprotein pV [Filamentous phage cloning vector fd-tet]" 100.00 87 99 100 4e-43 GenBank AAM73885.1 "cytosolic single-stranded DNA bindingprotein pV [Filamentous phage display vector f8-5]" 100.00 87 99 100 4e-43 GenBank AAM73897.1 "cytosolic single-stranded DNA bindingprotein pV [Filamentous phage display vector c8-4]" 100.00 87 99 100 4e-43 PIR DDBPF1 "helix-destabilizing protein [validated] -phage f1" 100.00 87 99 100 4e-43 PIR DDBPFD "helix-destabilizing protein [validated] -phage fd" 100.00 87 99 100 4e-43 PIR DDBPM3 "helix-destabilizing protein [validated] -phage M13" 100.00 87 99 100 4e-43 PRF 0812197G DNA,phage 100.00 87 99 100 4e-43 REF NP_510887.1 "gene V helix destabilising protein(DNA synthesis). [Enterobacteria phage M13]" 100.00 87 99 100 4e-43 SWISS-PROT P03669 "VHED_BPFD Helix-destabilizing protein(Single-stranded DNA binding protein) (GPV)" 100.00 87 99 100 4e-43 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Genus _Species ? ? ? ? ? stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method $gene_V_protein 'not available' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling ? ? ? ? stop_ save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.2 . na temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Chem_shift_units _Chem_shift_value DSS H ppm 0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts 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 'gene V protein' loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 MET HA H 4.03 . 1 2 2 ILE H H 8.96 . 1 3 2 ILE HA H 4.15 . 1 4 2 ILE HB H 1.52 . 1 5 2 ILE HG12 H 0.67 . 2 6 2 ILE HG13 H 1.47 . 2 7 2 ILE HG2 H 0.62 . 1 8 2 ILE HD1 H 0.23 . 1 9 3 LYS H H 8.85 . 1 10 3 LYS HA H 4.71 . 1 11 3 LYS HB2 H 1.92 . 1 12 3 LYS HB3 H 1.92 . 1 13 3 LYS HG2 H 1.43 . 2 14 3 LYS HG3 H 2.06 . 2 15 3 LYS HE2 H 3.02 . 1 16 3 LYS HE3 H 3.02 . 1 17 4 VAL H H 8.62 . 1 18 4 VAL HA H 4.97 . 1 19 4 VAL HB H 1.60 . 1 20 4 VAL HG1 H 0.72 . 1 21 4 VAL HG2 H 0.72 . 1 22 5 GLU H H 9.62 . 1 23 5 GLU HA H 5.37 . 1 24 5 GLU HB2 H 1.90 . 2 25 5 GLU HB3 H 2.12 . 2 26 5 GLU HG2 H 1.94 . 2 27 5 GLU HG3 H 2.33 . 2 28 6 ILE H H 8.96 . 1 29 6 ILE HA H 4.82 . 1 30 6 ILE HB H 2.08 . 1 31 6 ILE HG12 H 1.08 . 2 32 6 ILE HG13 H 1.30 . 2 33 6 ILE HG2 H 0.87 . 1 34 6 ILE HD1 H 0.38 . 1 35 7 LYS H H 9.80 . 1 36 7 LYS HA H 4.80 . 1 37 7 LYS HB2 H 1.70 . 1 38 7 LYS HB3 H 1.70 . 1 39 8 PRO HA H 4.26 . 1 40 8 PRO HB2 H 2.09 . 2 41 8 PRO HB3 H 2.53 . 2 42 8 PRO HD2 H 4.12 . 2 43 8 PRO HD3 H 3.91 . 2 44 9 SER H H 7.91 . 1 45 9 SER HA H 4.42 . 1 46 9 SER HB2 H 3.95 . 2 47 9 SER HB3 H 4.13 . 2 48 10 GLN H H 8.25 . 1 49 10 GLN HA H 4.64 . 1 50 10 GLN HB2 H 2.43 . 1 51 10 GLN HB3 H 2.43 . 1 52 11 ALA H H 7.30 . 1 53 11 ALA HA H 4.08 . 1 54 11 ALA HB H 1.54 . 1 55 12 GLN H H 8.19 . 1 56 12 GLN HA H 4.52 . 1 57 12 GLN HB2 H 2.10 . 1 58 12 GLN HB3 H 2.10 . 1 59 13 PHE H H 7.83 . 1 60 13 PHE HA H 5.39 . 1 61 13 PHE HB2 H 2.70 . 2 62 13 PHE HB3 H 3.25 . 2 63 13 PHE HD1 H 6.92 . 1 64 13 PHE HD2 H 6.92 . 1 65 13 PHE HE1 H 7.27 . 1 66 13 PHE HE2 H 7.27 . 1 67 13 PHE HZ H 7.25 . 1 68 14 THR H H 9.21 . 1 69 14 THR HA H 4.74 . 1 70 14 THR HB H 4.23 . 1 71 14 THR HG2 H 1.28 . 1 72 15 THR H H 8.86 . 1 73 15 THR HA H 5.33 . 1 74 15 THR HB H 3.93 . 1 75 15 THR HG2 H 1.24 . 1 76 16 ARG H H 9.35 . 1 77 16 ARG HA H 4.76 . 1 78 16 ARG HB2 H 1.80 . 2 79 16 ARG HB3 H 1.87 . 2 80 16 ARG HG2 H 1.60 . 1 81 16 ARG HG3 H 1.60 . 1 82 17 SER H H 8.57 . 1 83 17 SER HA H 5.01 . 1 84 17 SER HB2 H 3.82 . 1 85 17 SER HB3 H 3.82 . 1 86 18 GLY H H 7.67 . 1 87 18 GLY HA2 H 3.54 . 2 88 18 GLY HA3 H 4.07 . 2 89 19 VAL H H 8.40 . 1 90 19 VAL HA H 4.57 . 1 91 19 VAL HB H 1.89 . 1 92 19 VAL HG1 H 0.87 . 2 93 19 VAL HG2 H 0.91 . 2 94 20 SER H H 9.15 . 1 95 20 SER HA H 4.71 . 1 96 20 SER HB2 H 4.08 . 2 97 20 SER HB3 H 4.37 . 2 98 21 ARG H H 9.12 . 1 99 21 ARG HA H 4.27 . 1 100 21 ARG HB2 H 1.93 . 1 101 21 ARG HB3 H 1.93 . 1 102 21 ARG HG2 H 1.77 . 1 103 21 ARG HG3 H 1.77 . 1 104 21 ARG HD2 H 3.27 . 1 105 21 ARG HD3 H 3.27 . 1 106 21 ARG HE H 7.26 . 1 107 22 GLN H H 7.94 . 1 108 22 GLN HA H 4.42 . 1 109 22 GLN HB2 H 1.94 . 2 110 22 GLN HB3 H 2.32 . 2 111 22 GLN HG2 H 2.38 . 2 112 22 GLN HG3 H 2.50 . 2 113 23 GLY H H 8.19 . 1 114 23 GLY HA2 H 3.64 . 2 115 23 GLY HA3 H 4.21 . 2 116 24 LYS H H 7.67 . 1 117 24 LYS HA H 4.92 . 1 118 24 LYS HB2 H 1.93 . 2 119 24 LYS HB3 H 1.78 . 2 120 24 LYS HG2 H 1.49 . 2 121 24 LYS HG3 H 1.42 . 2 122 24 LYS HD2 H 1.77 . 1 123 24 LYS HD3 H 1.77 . 1 124 24 LYS HE2 H 3.02 . 1 125 24 LYS HE3 H 3.02 . 1 126 25 PRO HA H 5.02 . 1 127 25 PRO HB2 H 1.95 . 2 128 25 PRO HB3 H 2.34 . 2 129 25 PRO HG2 H 2.04 . 2 130 25 PRO HG3 H 2.15 . 2 131 25 PRO HD2 H 4.09 . 2 132 25 PRO HD3 H 3.77 . 2 133 26 TYR H H 8.38 . 1 134 26 TYR HA H 4.94 . 1 135 26 TYR HB2 H 2.98 . 2 136 26 TYR HB3 H 3.03 . 2 137 26 TYR HD1 H 6.89 . 1 138 26 TYR HD2 H 6.89 . 1 139 26 TYR HE1 H 6.48 . 1 140 26 TYR HE2 H 6.48 . 1 141 27 SER H H 8.39 . 1 142 27 SER HA H 4.95 . 1 143 27 SER HB2 H 3.64 . 2 144 27 SER HB3 H 3.70 . 2 145 28 LEU H H 8.93 . 1 146 28 LEU HA H 4.66 . 1 147 28 LEU HB2 H 1.60 . 1 148 28 LEU HB3 H 1.60 . 1 149 28 LEU HG H 1.60 . 1 150 28 LEU HD1 H 0.90 . 2 151 28 LEU HD2 H 0.85 . 2 152 29 ASN H H 9.06 . 1 153 29 ASN HA H 5.46 . 1 154 29 ASN HB2 H 1.64 . 2 155 29 ASN HB3 H 2.48 . 2 156 30 GLU H H 8.93 . 1 157 30 GLU HA H 5.54 . 1 158 30 GLU HB2 H 1.80 . 2 159 30 GLU HB3 H 1.99 . 2 160 30 GLU HG2 H 2.09 . 2 161 30 GLU HG3 H 2.19 . 2 162 31 GLN H H 9.31 . 1 163 31 GLN HA H 4.90 . 1 164 31 GLN HB2 H 2.04 . 1 165 31 GLN HB3 H 2.04 . 1 166 31 GLN HG2 H 2.80 . 1 167 31 GLN HG3 H 2.80 . 1 168 32 LEU H H 8.73 . 1 169 32 LEU HA H 5.17 . 1 170 32 LEU HB2 H 1.76 . 1 171 32 LEU HB3 H 1.76 . 1 172 33 CYS H H 8.37 . 1 173 33 CYS HA H 5.09 . 1 174 33 CYS HB2 H 2.34 . 2 175 33 CYS HB3 H 2.84 . 2 176 34 TYR H H 9.07 . 1 177 34 TYR HA H 5.43 . 1 178 34 TYR HB2 H 2.81 . 2 179 34 TYR HB3 H 2.96 . 2 180 34 TYR HD1 H 6.95 . 1 181 34 TYR HD2 H 6.95 . 1 182 34 TYR HE1 H 6.75 . 1 183 34 TYR HE2 H 6.75 . 1 184 35 VAL H H 9.64 . 1 185 35 VAL HA H 4.73 . 1 186 35 VAL HB H 1.87 . 1 187 35 VAL HG1 H 0.74 . 2 188 35 VAL HG2 H 0.89 . 2 189 36 ASP H H 8.50 . 1 190 36 ASP HA H 4.81 . 1 191 36 ASP HB2 H 2.63 . 2 192 36 ASP HB3 H 3.19 . 2 193 37 LEU H H 8.47 . 1 194 37 LEU HA H 4.68 . 1 195 38 GLY H H 8.80 . 1 196 38 GLY HA2 H 3.82 . 2 197 38 GLY HA3 H 4.17 . 2 198 39 ASN H H 8.06 . 1 199 39 ASN HA H 5.00 . 1 200 39 ASN HB2 H 2.92 . 2 201 39 ASN HB3 H 3.14 . 2 202 39 ASN HD21 H 7.11 . 2 203 39 ASN HD22 H 7.76 . 2 204 40 GLU H H 9.00 . 1 205 40 GLU HA H 3.96 . 1 206 40 GLU HB2 H 1.90 . 2 207 40 GLU HB3 H 2.06 . 2 208 40 GLU HG2 H 2.22 . 1 209 40 GLU HG3 H 2.22 . 1 210 41 HIS H H 7.74 . 1 211 41 HIS HA H 5.17 . 1 212 41 HIS HB2 H 3.05 . 2 213 41 HIS HB3 H 3.33 . 2 214 41 HIS HD2 H 7.35 . 1 215 41 HIS HE1 H 8.59 . 1 216 42 PRO HA H 4.93 . 1 217 42 PRO HB2 H 1.86 . 2 218 42 PRO HB3 H 2.25 . 2 219 42 PRO HG2 H 1.88 . 2 220 42 PRO HG3 H 1.95 . 2 221 42 PRO HD2 H 3.82 . 2 222 42 PRO HD3 H 3.70 . 2 223 43 VAL H H 9.09 . 1 224 43 VAL HA H 4.80 . 1 225 43 VAL HB H 2.18 . 1 226 43 VAL HG1 H 1.04 . 2 227 43 VAL HG2 H 1.10 . 2 228 44 LEU H H 8.36 . 1 229 44 LEU HA H 4.61 . 1 230 44 LEU HB2 H 1.42 . 2 231 44 LEU HB3 H 1.68 . 2 232 44 LEU HG H 1.42 . 1 233 44 LEU HD1 H 0.67 . 2 234 44 LEU HD2 H 0.59 . 2 235 45 VAL H H 9.03 . 1 236 45 VAL HA H 4.49 . 1 237 45 VAL HB H 1.91 . 1 238 45 VAL HG1 H 0.82 . 1 239 45 VAL HG2 H 0.82 . 1 240 46 LYS H H 8.15 . 1 241 46 LYS HA H 4.91 . 1 242 46 LYS HB2 H 1.37 . 2 243 46 LYS HB3 H 1.52 . 2 244 46 LYS HG2 H 1.17 . 2 245 46 LYS HG3 H 1.15 . 2 246 46 LYS HD2 H 1.63 . 1 247 46 LYS HD3 H 1.63 . 1 248 46 LYS HE2 H 2.91 . 1 249 46 LYS HE3 H 2.91 . 1 250 47 ILE H H 9.84 . 1 251 47 ILE HA H 4.33 . 1 252 47 ILE HB H 1.98 . 1 253 47 ILE HG12 H 0.89 . 2 254 47 ILE HG13 H 0.69 . 2 255 47 ILE HG2 H 0.97 . 1 256 48 THR H H 8.37 . 1 257 48 THR HA H 4.73 . 1 258 48 THR HB H 4.01 . 1 259 48 THR HG2 H 1.27 . 1 260 49 LEU H H 8.61 . 1 261 49 LEU HA H 4.35 . 1 262 49 LEU HB2 H 1.52 . 1 263 49 LEU HB3 H 1.52 . 1 264 50 ASP H H 8.63 . 1 265 50 ASP HA H 4.62 . 1 266 50 ASP HB2 H 2.49 . 2 267 50 ASP HB3 H 2.74 . 2 268 51 GLU H H 8.86 . 1 269 51 GLU HA H 4.04 . 1 270 51 GLU HB2 H 1.95 . 2 271 51 GLU HB3 H 2.02 . 2 272 51 GLU HG2 H 2.30 . 1 273 51 GLU HG3 H 2.30 . 1 274 52 GLY H H 8.96 . 1 275 52 GLY HA2 H 3.68 . 2 276 52 GLY HA3 H 4.15 . 2 277 53 GLN H H 7.70 . 1 278 53 GLN HA H 4.65 . 1 279 53 GLN HB2 H 2.16 . 1 280 53 GLN HB3 H 2.16 . 1 281 53 GLN HE21 H 6.35 . 2 282 53 GLN HE22 H 7.26 . 2 283 54 PRO HA H 4.58 . 1 284 54 PRO HB2 H 2.27 . 1 285 54 PRO HB3 H 2.27 . 1 286 54 PRO HG2 H 1.84 . 2 287 54 PRO HG3 H 2.00 . 2 288 54 PRO HD2 H 3.88 . 2 289 54 PRO HD3 H 3.60 . 2 290 55 ALA H H 8.38 . 1 291 55 ALA HA H 4.02 . 1 292 55 ALA HB H 1.27 . 1 293 56 TYR H H 9.85 . 1 294 56 TYR HA H 4.22 . 1 295 56 TYR HB2 H 2.47 . 2 296 56 TYR HB3 H 2.73 . 2 297 56 TYR HD1 H 7.15 . 1 298 56 TYR HD2 H 7.15 . 1 299 56 TYR HE1 H 6.82 . 1 300 56 TYR HE2 H 6.82 . 1 301 57 ALA H H 8.53 . 1 302 57 ALA HA H 4.64 . 1 303 57 ALA HB H 1.53 . 1 304 58 PRO HD2 H 3.95 . 2 305 58 PRO HD3 H 3.73 . 2 306 59 GLY H H 9.07 . 1 307 59 GLY HA2 H 3.93 . 2 308 59 GLY HA3 H 4.40 . 2 309 60 LEU H H 8.04 . 1 310 60 LEU HA H 5.23 . 1 311 60 LEU HB2 H 1.67 . 1 312 60 LEU HB3 H 1.67 . 1 313 60 LEU HG H 1.57 . 1 314 60 LEU HD1 H 0.95 . 2 315 60 LEU HD2 H 0.92 . 2 316 61 TYR H H 9.59 . 1 317 61 TYR HA H 5.20 . 1 318 61 TYR HB2 H 2.40 . 2 319 61 TYR HB3 H 2.98 . 2 320 61 TYR HD1 H 6.60 . 1 321 61 TYR HD2 H 6.60 . 1 322 61 TYR HE1 H 6.76 . 1 323 61 TYR HE2 H 6.76 . 1 324 62 THR H H 9.46 . 1 325 62 THR HA H 5.31 . 1 326 62 THR HB H 4.24 . 1 327 62 THR HG2 H 1.19 . 1 328 63 VAL H H 7.91 . 1 329 63 VAL HA H 4.11 . 1 330 63 VAL HB H 2.03 . 1 331 63 VAL HG1 H 0.91 . 2 332 63 VAL HG2 H 0.71 . 2 333 64 HIS H H 9.35 . 1 334 64 HIS HA H 4.51 . 1 335 64 HIS HB2 H 2.86 . 2 336 64 HIS HB3 H 2.92 . 2 337 64 HIS HD2 H 7.20 . 1 338 64 HIS HE1 H 8.00 . 1 339 65 LEU H H 8.49 . 1 340 66 SER H H 9.83 . 1 341 66 SER HA H 4.70 . 1 342 66 SER HB2 H 4.28 . 1 343 66 SER HB3 H 4.28 . 1 344 67 SER H H 8.49 . 1 345 67 SER HA H 4.88 . 1 346 67 SER HB2 H 3.03 . 2 347 67 SER HB3 H 3.60 . 2 348 68 PHE H H 7.68 . 1 349 68 PHE HA H 5.31 . 1 350 68 PHE HB2 H 3.02 . 2 351 68 PHE HB3 H 3.19 . 2 352 68 PHE HD1 H 7.39 . 1 353 68 PHE HD2 H 7.39 . 1 354 68 PHE HE1 H 7.20 . 1 355 68 PHE HE2 H 7.20 . 1 356 68 PHE HZ H 6.97 . 1 357 69 LYS H H 9.02 . 1 358 69 LYS HA H 4.73 . 1 359 70 VAL H H 8.66 . 1 360 70 VAL HA H 4.40 . 1 361 70 VAL HB H 2.00 . 1 362 70 VAL HG1 H 1.08 . 2 363 70 VAL HG2 H 0.92 . 2 364 71 GLY H H 9.06 . 1 365 71 GLY HA2 H 4.09 . 1 366 71 GLY HA3 H 4.09 . 1 367 72 GLN H H 8.67 . 1 368 72 GLN HA H 3.94 . 1 369 72 GLN HB2 H 1.57 . 2 370 72 GLN HB3 H 1.82 . 2 371 72 GLN HG2 H 1.72 . 1 372 72 GLN HG3 H 1.72 . 1 373 73 PHE H H 8.49 . 1 374 73 PHE HA H 4.84 . 1 375 73 PHE HB2 H 3.55 . 2 376 73 PHE HB3 H 3.03 . 2 377 73 PHE HD1 H 7.31 . 1 378 73 PHE HD2 H 7.31 . 1 379 73 PHE HE1 H 7.39 . 1 380 73 PHE HE2 H 7.39 . 1 381 73 PHE HZ H 7.31 . 1 382 74 GLY H H 8.00 . 1 383 74 GLY HA2 H 3.68 . 2 384 74 GLY HA3 H 4.23 . 2 385 75 SER H H 7.62 . 1 386 75 SER HA H 5.00 . 1 387 75 SER HB2 H 4.03 . 2 388 75 SER HB3 H 4.07 . 2 389 76 LEU H H 9.27 . 1 390 76 LEU HA H 4.63 . 1 391 76 LEU HB2 H 1.79 . 1 392 76 LEU HB3 H 1.79 . 1 393 77 MET H H 9.31 . 1 394 77 MET HA H 5.01 . 1 395 77 MET HB2 H 2.12 . 1 396 77 MET HB3 H 2.12 . 1 397 77 MET HG2 H 2.34 . 2 398 77 MET HG3 H 2.60 . 2 399 78 ILE H H 8.56 . 1 400 78 ILE HA H 4.26 . 1 401 78 ILE HB H 1.87 . 1 402 78 ILE HG12 H 0.83 . 2 403 78 ILE HG13 H 0.69 . 2 404 78 ILE HG2 H 0.61 . 1 405 79 ASP H H 9.02 . 1 406 79 ASP HA H 4.73 . 1 407 79 ASP HB2 H 2.43 . 2 408 79 ASP HB3 H 2.70 . 2 409 80 ARG H H 7.43 . 1 410 80 ARG HA H 4.46 . 1 411 80 ARG HB2 H 1.70 . 2 412 80 ARG HB3 H 1.84 . 2 413 80 ARG HG2 H 1.56 . 1 414 80 ARG HG3 H 1.56 . 1 415 80 ARG HD2 H 3.16 . 2 416 80 ARG HD3 H 3.19 . 2 417 81 LEU H H 8.47 . 1 418 81 LEU HA H 3.97 . 1 419 81 LEU HB2 H 1.49 . 2 420 81 LEU HB3 H 1.67 . 2 421 81 LEU HG H 1.44 . 1 422 81 LEU HD1 H 0.77 . 2 423 81 LEU HD2 H 0.69 . 2 424 82 ARG H H 8.87 . 1 425 82 ARG HA H 4.45 . 1 426 83 LEU H H 7.30 . 1 427 83 LEU HA H 5.17 . 1 428 83 LEU HB2 H 0.76 . 1 429 83 LEU HB3 H 0.76 . 1 430 83 LEU HG H 0.87 . 1 431 83 LEU HD1 H 0.34 . 2 432 83 LEU HD2 H 0.53 . 2 433 84 VAL H H 8.89 . 1 434 84 VAL HA H 5.08 . 1 435 84 VAL HB H 2.30 . 1 436 84 VAL HG1 H 1.08 . 1 437 84 VAL HG2 H 1.08 . 1 438 85 PRO HA H 4.10 . 1 439 85 PRO HD2 H 4.18 . 2 440 85 PRO HD3 H 3.86 . 2 441 86 ALA H H 8.32 . 1 442 86 ALA HA H 4.39 . 1 443 86 ALA HB H 1.20 . 1 444 87 LYS H H 7.83 . 1 445 87 LYS HA H 4.20 . 1 446 87 LYS HB2 H 1.71 . 2 447 87 LYS HB3 H 1.84 . 2 448 87 LYS HG2 H 1.40 . 1 449 87 LYS HG3 H 1.40 . 1 450 87 LYS HD2 H 1.71 . 1 451 87 LYS HD3 H 1.71 . 1 452 87 LYS HE2 H 3.02 . 1 453 87 LYS HE3 H 3.02 . 1 stop_ save_