data_932 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-Specific 1H NMR Resonance Assignments of Bacillus subtilis HPr: Use of Spectra Obtained from Mutants To Resolve Spectral Overlap ; _BMRB_accession_number 932 _BMRB_flat_file_name bmr932.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 Wittekind Michael . . 2 Reizer Jonathan . . 3 Klevit Rachel E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 440 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-11 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 ; Wittekind, Michael, Reizer, Jonathan, Klevit, Rachel E., "Sequence-Specific 1H NMR Resonance Assignments of Bacillus subtilis HPr: Use of Spectra Obtained from Mutants To Resolve Spectral Overlap," Biochemistry 29, 7191-7200 (1990). ; _Citation_title ; Sequence-Specific 1H NMR Resonance Assignments of Bacillus subtilis HPr: Use of Spectra Obtained from Mutants To Resolve Spectral Overlap ; _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 Wittekind Michael . . 2 Reizer Jonathan . . 3 Klevit Rachel E. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 29 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7191 _Page_last 7200 _Year 1990 _Details . save_ ################################## # Molecular system description # ################################## save_system_phosphocarrier_protein_HPr _Saveframe_category molecular_system _Mol_system_name 'phosphocarrier protein HPr' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'phosphocarrier protein HPr' $phosphocarrier_protein_HPr stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_phosphocarrier_protein_HPr _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'phosphocarrier protein HPr' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 87 _Mol_residue_sequence ; AQKTFKVTADSGIHARPATV LVQTASKYDADVNLEYNGKT VNLKSIMGVMSLGIAKGAEI TISASGADENDALNALEETM KSEGLGQ ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 GLN 3 LYS 4 THR 5 PHE 6 LYS 7 VAL 8 THR 9 ALA 10 ASP 11 SER 12 GLY 13 ILE 14 HIS 15 ALA 16 ARG 17 PRO 18 ALA 19 THR 20 VAL 21 LEU 22 VAL 23 GLN 24 THR 25 ALA 26 SER 27 LYS 28 TYR 29 ASP 30 ALA 31 ASP 32 VAL 33 ASN 34 LEU 35 GLU 36 TYR 37 ASN 38 GLY 39 LYS 40 THR 41 VAL 42 ASN 43 LEU 44 LYS 45 SER 46 ILE 47 MET 48 GLY 49 VAL 50 MET 51 SER 52 LEU 53 GLY 54 ILE 55 ALA 56 LYS 57 GLY 58 ALA 59 GLU 60 ILE 61 THR 62 ILE 63 SER 64 ALA 65 SER 66 GLY 67 ALA 68 ASP 69 GLU 70 ASN 71 ASP 72 ALA 73 LEU 74 ASN 75 ALA 76 LEU 77 GLU 78 GLU 79 THR 80 MET 81 LYS 82 SER 83 GLU 84 GLY 85 LEU 86 GLY 87 GLN 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 1KKL "L.Casei HprkP IN COMPLEX WITH B.SUBTILIS HPR" 100.00 100 97.70 98.85 1.52e-52 PDB 1SPH "Refined Structures Of The Active S83c And Impaired S46d Hprs: Evidence That Phosphorylation Does Not Require A Backbone Conform" 100.00 88 97.70 98.85 8.68e-53 PDB 2FEP "Structure Of Truncated Ccpa In Complex With P-Ser-Hpr And Sulfate Ions" 100.00 88 97.70 98.85 7.37e-53 PDB 2HID "Refined Nmr Structure Of Phosphocarrier Histidine Containing Protein From Bacillus Subtilis" 98.85 87 97.67 100.00 2.95e-52 PDB 3OQM "Structure Of Ccpa-Hpr-Ser46p-Acka2 Complex" 100.00 87 97.70 98.85 7.40e-53 PDB 3OQN "Structure Of Ccpa-Hpr-Ser46-P-Gntr-Down Cre" 100.00 87 97.70 98.85 7.40e-53 PDB 3OQO "Ccpa-hpr-ser46p-syn Cre" 100.00 87 97.70 98.85 7.40e-53 DBJ BAI84999 "phosphocarrier protein HPr [Bacillus subtilis subsp. natto BEST195]" 100.00 91 98.85 100.00 1.60e-53 DBJ BAM52033 "phosphocarrier protein HPr [Synechocystis sp. PCC 6803]" 100.00 88 98.85 100.00 1.35e-53 DBJ BAM57610 "phosphocarrier protein HPr [Bacillus subtilis BEST7003]" 100.00 88 98.85 100.00 1.35e-53 DBJ GAK78202 "phosphocarrier protein HPr [Bacillus subtilis Miyagi-4]" 100.00 88 98.85 100.00 1.35e-53 EMBL CAA31317 "Hpr protein [Bacillus subtilis]" 100.00 88 98.85 100.00 1.35e-53 EMBL CAB13263 "histidine-containing phosphocarrier protein of the phosphotransferase system (PTS) (HPr protein) [Bacillus subtilis subsp. subt" 100.00 88 98.85 100.00 1.35e-53 EMBL CBI42593 "histidine-containing phosphocarrier protein of the phosphotransferase system (PTS) (HPr protein) [Bacillus amyloliquefaciens DS" 100.00 88 98.85 100.00 1.35e-53 EMBL CCF04875 "phosphocarrier protein HPr [Bacillus amyloliquefaciens subsp. plantarum CAU B946]" 100.00 88 98.85 100.00 1.35e-53 EMBL CCG49324 "phosphocarrier protein HPr [Bacillus amyloliquefaciens subsp. plantarum YAU B9601-Y2]" 100.00 88 98.85 100.00 1.35e-53 GB ABS73730 "PtsH [Bacillus amyloliquefaciens subsp. plantarum str. FZB42]" 100.00 88 98.85 100.00 1.35e-53 GB ADM37477 "phosphocarrier protein HPr [Bacillus subtilis subsp. spizizenii str. W23]" 100.00 88 97.70 100.00 3.83e-53 GB ADP31897 "phosphocarrier protein HPr [Bacillus atrophaeus 1942]" 100.00 88 98.85 100.00 1.35e-53 GB ADV96409 "phosphocarrier protein HPr [Bacillus subtilis BSn5]" 100.00 88 98.85 100.00 1.35e-53 GB AEB24206 "phosphocarrier protein HPr [Bacillus amyloliquefaciens TA208]" 100.00 88 98.85 100.00 1.35e-53 REF NP_389273 "phosphocarrier protein HPr [Bacillus subtilis subsp. subtilis str. 168]" 100.00 88 98.85 100.00 1.35e-53 REF WP_003154654 "MULTISPECIES: phosphocarrier protein HPr [Bacillales]" 100.00 88 98.85 100.00 1.35e-53 REF WP_003218637 "MULTISPECIES: phosphocarrier protein HPr [Bacillus]" 100.00 88 97.70 100.00 3.83e-53 REF WP_010334034 "MULTISPECIES: phosphocarrier protein HPr [Bacillus]" 100.00 88 97.70 100.00 4.32e-53 REF WP_031600454 "phosphocarrier protein HPr [Bacillus subtilis]" 100.00 91 98.85 100.00 1.60e-53 SP P08877 "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein [Bacillus subtilis subsp. subtilis str. 16" 100.00 88 98.85 100.00 1.35e-53 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $phosphocarrier_protein_HPr . 1423 Bacteria . Bacillus subtilis generic 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 $phosphocarrier_protein_HPr 'not available' . Escherichia coli TG1 . 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 6.9 . na temperature 303 . 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 TSP 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 'phosphocarrier protein HPr' _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 ALA HA H 4.35 . 1 2 . 1 ALA HB H 1.63 . 1 3 . 2 GLN H H 8.99 . 1 4 . 2 GLN HA H 5.73 . 1 5 . 2 GLN HB2 H 1.9 . 2 6 . 2 GLN HB3 H 2.17 . 2 7 . 2 GLN HG2 H 2.24 . 2 8 . 2 GLN HG3 H 2.29 . 2 9 . 3 LYS H H 8.97 . 1 10 . 3 LYS HA H 4.5 . 1 11 . 3 LYS HB2 H 1.55 . 2 12 . 3 LYS HB3 H 1.69 . 2 13 . 3 LYS HG2 H 1.27 . 2 14 . 3 LYS HG3 H 1.29 . 2 15 . 3 LYS HD2 H 1.04 . 2 16 . 3 LYS HD3 H 1.06 . 2 17 . 3 LYS HE2 H 2.89 . 1 18 . 3 LYS HE3 H 2.89 . 1 19 . 4 THR H H 8.32 . 1 20 . 4 THR HA H 5.39 . 1 21 . 4 THR HB H 3.9 . 1 22 . 4 THR HG2 H 1.3 . 1 23 . 5 PHE H H 9.44 . 1 24 . 5 PHE HA H 5.03 . 1 25 . 5 PHE HB2 H 2.94 . 2 26 . 5 PHE HB3 H 2.55 . 2 27 . 5 PHE HD1 H 7.13 . 1 28 . 5 PHE HD2 H 7.13 . 1 29 . 5 PHE HE1 H 7.22 . 1 30 . 5 PHE HE2 H 7.22 . 1 31 . 5 PHE HZ H 6.99 . 1 32 . 6 LYS H H 9.25 . 1 33 . 6 LYS HA H 5.19 . 1 34 . 6 LYS HB2 H 1.93 . 2 35 . 6 LYS HB3 H 1.96 . 2 36 . 6 LYS HG2 H 1.79 . 1 37 . 6 LYS HG3 H 1.79 . 1 38 . 6 LYS HD2 H 1.46 . 1 39 . 6 LYS HD3 H 1.46 . 1 40 . 6 LYS HE2 H 3.11 . 2 41 . 6 LYS HE3 H 3.68 . 2 42 . 7 VAL H H 9.19 . 1 43 . 7 VAL HA H 4.47 . 1 44 . 7 VAL HB H 2.41 . 1 45 . 7 VAL HG1 H .93 . 2 46 . 7 VAL HG2 H 1.06 . 2 47 . 8 THR H H 9.17 . 1 48 . 8 THR HA H 4.52 . 1 49 . 8 THR HB H 4.45 . 1 50 . 8 THR HG2 H 1.24 . 1 51 . 9 ALA H H 6.99 . 1 52 . 9 ALA HA H 4.44 . 1 53 . 9 ALA HB H 1.63 . 1 54 . 10 ASP H H 8.86 . 1 55 . 10 ASP HA H 4.43 . 1 56 . 10 ASP HB2 H 2.8 . 1 57 . 10 ASP HB3 H 2.8 . 1 58 . 11 SER H H 8.59 . 1 59 . 11 SER HA H 4.61 . 1 60 . 11 SER HB2 H 3.98 . 2 61 . 11 SER HB3 H 4.04 . 2 62 . 12 GLY H H 7.94 . 1 63 . 12 GLY HA2 H 3.33 . 2 64 . 12 GLY HA3 H 4.51 . 2 65 . 13 ILE H H 7.89 . 1 66 . 13 ILE HA H 4.23 . 1 67 . 13 ILE HB H 2.07 . 1 68 . 13 ILE HG12 H 1.05 . 2 69 . 13 ILE HG13 H 1.31 . 2 70 . 13 ILE HG2 H .67 . 1 71 . 13 ILE HD1 H .66 . 1 72 . 14 HIS H H 6.72 . 1 73 . 14 HIS HA H 4.98 . 1 74 . 14 HIS HB2 H 3.25 . 2 75 . 14 HIS HB3 H 3.56 . 2 76 . 14 HIS HD1 H 7.25 . 1 77 . 14 HIS HD2 H 7.25 . 1 78 . 14 HIS HE1 H 7.94 . 1 79 . 14 HIS HE2 H 7.94 . 1 80 . 15 ALA H H 8.79 . 1 81 . 15 ALA HA H 3.92 . 1 82 . 15 ALA HB H 1.6 . 1 83 . 16 ARG H H 8.24 . 1 84 . 16 ARG HA H 4.34 . 1 85 . 16 ARG HB2 H 1.79 . 2 86 . 16 ARG HB3 H 2.37 . 2 87 . 16 ARG HG2 H 2.01 . 2 88 . 16 ARG HG3 H 2.07 . 2 89 . 16 ARG HD2 H 2.93 . 2 90 . 16 ARG HD3 H 3.23 . 2 91 . 17 PRO HA H 4.44 . 1 92 . 17 PRO HB2 H 2.07 . 2 93 . 17 PRO HB3 H 2.1 . 2 94 . 17 PRO HG2 H 1.77 . 2 95 . 17 PRO HG3 H 1.87 . 2 96 . 17 PRO HD2 H 3.33 . 2 97 . 17 PRO HD3 H 3.42 . 2 98 . 18 ALA H H 8.11 . 1 99 . 18 ALA HA H 3.75 . 1 100 . 18 ALA HB H 1.31 . 1 101 . 19 THR H H 8.02 . 1 102 . 19 THR HA H 3.82 . 1 103 . 19 THR HB H 4.57 . 1 104 . 19 THR HG2 H 1.3 . 1 105 . 20 VAL H H 7.49 . 1 106 . 20 VAL HA H 3.86 . 1 107 . 20 VAL HB H 2.17 . 1 108 . 20 VAL HG1 H 1 . 2 109 . 20 VAL HG2 H 1.05 . 2 110 . 21 LEU H H 7.93 . 1 111 . 21 LEU HA H 3.95 . 1 112 . 21 LEU HB2 H 1.4 . 2 113 . 21 LEU HB3 H 1.97 . 2 114 . 21 LEU HG H 1.72 . 1 115 . 21 LEU HD1 H .73 . 1 116 . 21 LEU HD2 H .73 . 1 117 . 22 VAL H H 8.42 . 1 118 . 22 VAL HA H 4.26 . 1 119 . 22 VAL HB H 2.12 . 1 120 . 22 VAL HG1 H .93 . 2 121 . 22 VAL HG2 H 1.02 . 2 122 . 23 GLN H H 8.7 . 1 123 . 23 GLN HA H 4.1 . 1 124 . 23 GLN HB2 H 2.21 . 2 125 . 23 GLN HB3 H 2.38 . 2 126 . 23 GLN HG2 H 2.5 . 2 127 . 23 GLN HG3 H 2.67 . 2 128 . 24 THR H H 8.03 . 1 129 . 24 THR HA H 4.07 . 1 130 . 24 THR HB H 4.5 . 1 131 . 24 THR HG2 H 1.33 . 1 132 . 25 ALA H H 8.62 . 1 133 . 25 ALA HA H 4.03 . 1 134 . 25 ALA HB H 1.52 . 1 135 . 26 SER H H 8.26 . 1 136 . 26 SER HA H 4.25 . 1 137 . 27 LYS H H 7.41 . 1 138 . 27 LYS HA H 4.08 . 1 139 . 27 LYS HB2 H 1.67 . 2 140 . 27 LYS HB3 H 1.73 . 2 141 . 27 LYS HG2 H 1.37 . 1 142 . 27 LYS HG3 H 1.37 . 1 143 . 27 LYS HE2 H 3.03 . 1 144 . 27 LYS HE3 H 3.03 . 1 145 . 28 TYR H H 7.5 . 1 146 . 28 TYR HA H 4.49 . 1 147 . 28 TYR HB2 H 2.66 . 2 148 . 28 TYR HB3 H 3.24 . 2 149 . 28 TYR HD1 H 7.35 . 1 150 . 28 TYR HD2 H 7.35 . 1 151 . 28 TYR HE1 H 6.8 . 1 152 . 28 TYR HE2 H 6.8 . 1 153 . 29 ASP H H 11.24 . 1 154 . 29 ASP HA H 4.57 . 1 155 . 29 ASP HB2 H 2.76 . 1 156 . 29 ASP HB3 H 2.76 . 1 157 . 30 ALA H H 9.56 . 1 158 . 30 ALA HA H 4.26 . 1 159 . 30 ALA HB H 1.06 . 1 160 . 31 ASP H H 8.17 . 1 161 . 31 ASP HA H 4.72 . 1 162 . 31 ASP HB2 H 2.72 . 2 163 . 31 ASP HB3 H 2.77 . 2 164 . 32 VAL H H 9.11 . 1 165 . 32 VAL HA H 5.16 . 1 166 . 32 VAL HB H 1.83 . 1 167 . 32 VAL HG1 H .9 . 2 168 . 32 VAL HG2 H .95 . 2 169 . 33 ASN H H 9.26 . 1 170 . 33 ASN HA H 5.76 . 1 171 . 33 ASN HB2 H 2.53 . 2 172 . 33 ASN HB3 H 2.62 . 2 173 . 34 LEU H H 9.27 . 1 174 . 34 LEU HA H 5.21 . 1 175 . 34 LEU HB2 H 1.53 . 2 176 . 34 LEU HB3 H 1.67 . 2 177 . 34 LEU HG H 1.6 . 1 178 . 34 LEU HD1 H .85 . 1 179 . 34 LEU HD2 H .85 . 1 180 . 35 GLU H H 9.46 . 1 181 . 35 GLU HA H 5.67 . 1 182 . 35 GLU HB2 H 1.99 . 2 183 . 35 GLU HB3 H 2.15 . 2 184 . 35 GLU HG2 H 2.09 . 2 185 . 35 GLU HG3 H 2.22 . 2 186 . 36 TYR H H 9.06 . 1 187 . 36 TYR HA H 5.23 . 1 188 . 36 TYR HB2 H 2.81 . 2 189 . 36 TYR HB3 H 3.21 . 2 190 . 36 TYR HD1 H 7.35 . 1 191 . 36 TYR HD2 H 7.35 . 1 192 . 36 TYR HE1 H 7.07 . 1 193 . 36 TYR HE2 H 7.07 . 1 194 . 37 ASN H H 9.56 . 1 195 . 37 ASN HA H 4.29 . 1 196 . 37 ASN HB2 H 1.65 . 2 197 . 37 ASN HB3 H 2.87 . 2 198 . 38 GLY H H 9.08 . 1 199 . 38 GLY HA2 H 3.72 . 2 200 . 38 GLY HA3 H 4.22 . 2 201 . 39 LYS H H 8.07 . 1 202 . 39 LYS HA H 4.75 . 1 203 . 39 LYS HB2 H 1.95 . 2 204 . 39 LYS HB3 H 2.01 . 2 205 . 39 LYS HG2 H 1.55 . 2 206 . 39 LYS HG3 H 1.81 . 2 207 . 39 LYS HD2 H 1.49 . 1 208 . 39 LYS HD3 H 1.49 . 1 209 . 39 LYS HE2 H 3.1 . 1 210 . 39 LYS HE3 H 3.1 . 1 211 . 40 THR H H 8.45 . 1 212 . 40 THR HA H 5.5 . 1 213 . 40 THR HB H 3.93 . 1 214 . 40 THR HG2 H 1.15 . 1 215 . 41 VAL H H 9.35 . 1 216 . 41 VAL HA H 4.83 . 1 217 . 41 VAL HB H 2.26 . 1 218 . 41 VAL HG1 H .9 . 2 219 . 41 VAL HG2 H .99 . 2 220 . 42 ASN H H 8.48 . 1 221 . 42 ASN HA H 5.04 . 1 222 . 42 ASN HB2 H 3.03 . 2 223 . 42 ASN HB3 H 3.06 . 2 224 . 42 ASN HD21 H 7.18 . 2 225 . 42 ASN HD22 H 7.73 . 2 226 . 43 LEU H H 9.05 . 1 227 . 43 LEU HA H 4.22 . 1 228 . 43 LEU HB2 H 1.18 . 2 229 . 43 LEU HB3 H 1.59 . 2 230 . 43 LEU HG H 1.94 . 1 231 . 43 LEU HD1 H .95 . 2 232 . 43 LEU HD2 H .98 . 2 233 . 44 LYS H H 8.13 . 1 234 . 44 LYS HA H 4.49 . 1 235 . 44 LYS HB2 H 1.81 . 1 236 . 44 LYS HB3 H 1.81 . 1 237 . 45 SER H H 7.63 . 1 238 . 45 SER HA H 4.88 . 1 239 . 45 SER HB2 H 3.86 . 2 240 . 45 SER HB3 H 4.24 . 2 241 . 46 ILE H H 8.9 . 1 242 . 46 ILE HA H 3.89 . 1 243 . 46 ILE HB H 1.93 . 1 244 . 46 ILE HG12 H 1.24 . 2 245 . 46 ILE HG13 H 1.64 . 2 246 . 46 ILE HG2 H 1.04 . 1 247 . 46 ILE HD1 H 1.02 . 1 248 . 47 MET H H 8.41 . 1 249 . 47 MET HA H 3.72 . 1 250 . 47 MET HB2 H 1.09 . 2 251 . 47 MET HB3 H 2.26 . 2 252 . 48 GLY H H 8.07 . 1 253 . 48 GLY HA2 H 3.96 . 2 254 . 48 GLY HA3 H 4.09 . 2 255 . 49 VAL H H 7.93 . 1 256 . 49 VAL HA H 3.69 . 1 257 . 49 VAL HB H 2.17 . 1 258 . 49 VAL HG1 H .84 . 2 259 . 49 VAL HG2 H 1.12 . 2 260 . 50 MET H H 8.43 . 1 261 . 50 MET HA H 4.31 . 1 262 . 50 MET HB2 H 2.15 . 1 263 . 50 MET HB3 H 2.15 . 1 264 . 51 SER H H 8.11 . 1 265 . 51 SER HA H 4.56 . 1 266 . 52 LEU H H 7.26 . 1 267 . 52 LEU HA H 4.37 . 1 268 . 52 LEU HB2 H 1.65 . 2 269 . 52 LEU HB3 H 2.08 . 2 270 . 52 LEU HD1 H 1.12 . 1 271 . 52 LEU HD2 H 1.12 . 1 272 . 53 GLY H H 7.67 . 1 273 . 53 GLY HA2 H 3.84 . 2 274 . 53 GLY HA3 H 4.06 . 2 275 . 54 ILE H H 8.78 . 1 276 . 54 ILE HA H 3.01 . 1 277 . 54 ILE HB H 1.53 . 1 278 . 54 ILE HG12 H .77 . 2 279 . 54 ILE HG13 H 1.37 . 2 280 . 54 ILE HG2 H .58 . 1 281 . 54 ILE HD1 H -.08 . 1 282 . 55 ALA H H 7.8 . 1 283 . 55 ALA HA H 4.67 . 1 284 . 55 ALA HB H 1.58 . 1 285 . 56 LYS H H 8.44 . 1 286 . 56 LYS HA H 3.69 . 1 287 . 56 LYS HB2 H 1.68 . 2 288 . 56 LYS HB3 H 2.2 . 2 289 . 56 LYS HG2 H 1.29 . 2 290 . 56 LYS HG3 H 1.38 . 2 291 . 56 LYS HE2 H 3.11 . 1 292 . 56 LYS HE3 H 3.11 . 1 293 . 57 GLY H H 9.02 . 1 294 . 57 GLY HA2 H 3.72 . 2 295 . 57 GLY HA3 H 4.56 . 2 296 . 58 ALA H H 7.85 . 1 297 . 58 ALA HA H 4.54 . 1 298 . 58 ALA HB H 1.61 . 1 299 . 59 GLU H H 8.55 . 1 300 . 59 GLU HA H 5.51 . 1 301 . 59 GLU HB2 H 2.1 . 2 302 . 59 GLU HB3 H 2.24 . 2 303 . 59 GLU HG2 H 2.22 . 2 304 . 59 GLU HG3 H 2.41 . 2 305 . 60 ILE H H 9.12 . 1 306 . 60 ILE HA H 5.54 . 1 307 . 60 ILE HB H 2 . 1 308 . 60 ILE HG12 H 1.15 . 2 309 . 60 ILE HG13 H 1.79 . 2 310 . 60 ILE HG2 H .74 . 1 311 . 60 ILE HD1 H .98 . 1 312 . 61 THR H H 8.97 . 1 313 . 61 THR HA H 5.34 . 1 314 . 61 THR HB H 4.13 . 1 315 . 61 THR HG2 H 1.13 . 1 316 . 62 ILE H H 9.33 . 1 317 . 62 ILE HA H 5.15 . 1 318 . 62 ILE HB H 1.94 . 1 319 . 62 ILE HG12 H 1.08 . 2 320 . 62 ILE HG13 H 1.83 . 2 321 . 62 ILE HG2 H .75 . 1 322 . 62 ILE HD1 H .92 . 1 323 . 63 SER H H 9.11 . 1 324 . 63 SER HA H 5.56 . 1 325 . 63 SER HB2 H 3.81 . 2 326 . 63 SER HB3 H 3.91 . 2 327 . 64 ALA H H 9.06 . 1 328 . 64 ALA HA H 5.8 . 1 329 . 64 ALA HB H 1.25 . 1 330 . 65 SER H H 8.78 . 1 331 . 65 SER HA H 5.43 . 1 332 . 65 SER HB2 H 3.78 . 2 333 . 65 SER HB3 H 3.88 . 2 334 . 66 GLY H H 9.96 . 1 335 . 66 GLY HA2 H 4.11 . 2 336 . 66 GLY HA3 H 4.76 . 2 337 . 67 ALA H H 9.2 . 1 338 . 67 ALA HA H 4.24 . 1 339 . 67 ALA HB H 1.6 . 1 340 . 68 ASP H H 8.2 . 1 341 . 68 ASP HA H 5.19 . 1 342 . 68 ASP HB2 H 2.87 . 2 343 . 68 ASP HB3 H 3.38 . 2 344 . 69 GLU H H 7.52 . 1 345 . 69 GLU HA H 3.67 . 1 346 . 70 ASN H H 8.5 . 1 347 . 70 ASN HA H 4.49 . 1 348 . 70 ASN HB2 H 2.84 . 1 349 . 70 ASN HB3 H 2.84 . 1 350 . 70 ASN HD21 H 7.17 . 2 351 . 70 ASN HD22 H 7.82 . 2 352 . 71 ASP H H 7.75 . 1 353 . 71 ASP HA H 4.39 . 1 354 . 71 ASP HB2 H 2.69 . 2 355 . 71 ASP HB3 H 2.78 . 2 356 . 72 ALA H H 8.22 . 1 357 . 72 ALA HA H 2.52 . 1 358 . 72 ALA HB H .89 . 1 359 . 73 LEU H H 7.72 . 1 360 . 73 LEU HA H 3.97 . 1 361 . 73 LEU HB2 H 1.7 . 1 362 . 73 LEU HB3 H 1.7 . 1 363 . 73 LEU HG H 1.86 . 1 364 . 73 LEU HD1 H .95 . 2 365 . 73 LEU HD2 H .85 . 2 366 . 74 ASN H H 8.12 . 1 367 . 74 ASN HA H 4.57 . 1 368 . 74 ASN HB2 H 2.94 . 1 369 . 74 ASN HB3 H 2.94 . 1 370 . 74 ASN HD21 H 6.91 . 2 371 . 74 ASN HD22 H 7.83 . 2 372 . 75 ALA H H 8.1 . 1 373 . 75 ALA HA H 4.32 . 1 374 . 75 ALA HB H 1.64 . 1 375 . 76 LEU H H 8.44 . 1 376 . 76 LEU HA H 4.03 . 1 377 . 76 LEU HB2 H 2.08 . 2 378 . 76 LEU HB3 H 1.18 . 2 379 . 76 LEU HG H 1.78 . 1 380 . 76 LEU HD1 H .89 . 2 381 . 76 LEU HD2 H 1.01 . 2 382 . 77 GLU H H 8.72 . 1 383 . 77 GLU HA H 3.9 . 1 384 . 77 GLU HB2 H 2.33 . 2 385 . 77 GLU HB3 H 2.52 . 2 386 . 77 GLU HG2 H 2.43 . 2 387 . 77 GLU HG3 H 2.48 . 2 388 . 78 GLU H H 8.1 . 1 389 . 78 GLU HA H 4.23 . 1 390 . 78 GLU HB2 H 2.31 . 2 391 . 78 GLU HB3 H 2.32 . 2 392 . 78 GLU HG2 H 2.44 . 2 393 . 78 GLU HG3 H 2.52 . 2 394 . 79 THR H H 8.47 . 1 395 . 79 THR HA H 4.18 . 1 396 . 79 THR HB H 4.24 . 1 397 . 79 THR HG2 H 1.17 . 1 398 . 80 MET H H 8.44 . 1 399 . 80 MET HA H 3.98 . 1 400 . 80 MET HB2 H 1.59 . 2 401 . 80 MET HB3 H 2.14 . 2 402 . 81 LYS H H 7.82 . 1 403 . 81 LYS HA H 4.52 . 1 404 . 81 LYS HB2 H 2.11 . 1 405 . 81 LYS HB3 H 2.11 . 1 406 . 81 LYS HG2 H 1.7 . 2 407 . 81 LYS HG3 H 1.83 . 2 408 . 81 LYS HD2 H 1.91 . 1 409 . 81 LYS HD3 H 1.91 . 1 410 . 81 LYS HE2 H 3.16 . 1 411 . 81 LYS HE3 H 3.16 . 1 412 . 82 SER H H 9.3 . 1 413 . 82 SER HA H 4.3 . 1 414 . 82 SER HB2 H 4.1 . 2 415 . 82 SER HB3 H 4.16 . 2 416 . 83 GLU H H 8.26 . 1 417 . 83 GLU HA H 4.43 . 1 418 . 83 GLU HB2 H 1.98 . 2 419 . 83 GLU HB3 H 2.09 . 2 420 . 83 GLU HG2 H 2.22 . 2 421 . 83 GLU HG3 H 2.5 . 2 422 . 84 GLY H H 7.84 . 1 423 . 84 GLY HA2 H 3.99 . 2 424 . 84 GLY HA3 H 4.06 . 2 425 . 85 LEU H H 8.52 . 1 426 . 85 LEU HA H 4.43 . 1 427 . 85 LEU HB2 H 1.27 . 2 428 . 85 LEU HB3 H 2.14 . 2 429 . 85 LEU HG H 1.68 . 1 430 . 85 LEU HD1 H .81 . 2 431 . 85 LEU HD2 H .86 . 2 432 . 86 GLY H H 7.38 . 1 433 . 86 GLY HA2 H 4.3 . 2 434 . 86 GLY HA3 H 4.82 . 2 435 . 87 GLN H H 8.56 . 1 436 . 87 GLN HA H 4.68 . 1 437 . 87 GLN HB2 H 2.24 . 2 438 . 87 GLN HB3 H 2.16 . 2 439 . 87 GLN HG2 H 2.31 . 2 440 . 87 GLN HG3 H 2.34 . 2 stop_ save_