data_390 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H NMR Studies of Porcine Calbindin D9k in Solution: Sequential Resonance Assignment, Secondary Structure, and Global Fold ; _BMRB_accession_number 390 _BMRB_flat_file_name bmr390.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-04-12 _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 Drakenberg Torbjorn . . 2 Hofmann Theo . . 3 Chazin Walter J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 492 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-11 revision BMRB 'Complete natural source information' 2008-07-10 revision BMRB 'Updating non-standard residue' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-04-12 revision BMRB 'Error corrected in abrreviations given to non-polymers' 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 ; Drakenberg, Torbjorn, Hofmann, Theo, Chazin, Walter J., "1H NMR Studies of Porcine Calbindin D9k in Solution: Sequential Resonance Assignment, Secondary Structure, and Global Fold," Biochemistry 28, 5946-5954 (1989). ; _Citation_title ; 1H NMR Studies of Porcine Calbindin D9k in Solution: Sequential Resonance Assignment, Secondary Structure, and Global Fold ; _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 Drakenberg Torbjorn . . 2 Hofmann Theo . . 3 Chazin Walter J. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 28 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5946 _Page_last 5954 _Year 1989 _Details . save_ ################################## # Molecular system description # ################################## save_system_calbindin _Saveframe_category molecular_system _Mol_system_name calbindin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label calbindin $calbindin stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_calbindin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common calbindin _Name_variant D9k _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 78 _Mol_residue_sequence ; XAQKSPAELKSIFEKYAAKE GDPNQLSKEELKQLIQAEFP SLLKGPRTLDDLFQELDKNG DGEVSFEEFQVLVKKISQ ; loop_ _Residue_seq_code _Residue_label 1 SAC 2 ALA 3 GLN 4 LYS 5 SER 6 PRO 7 ALA 8 GLU 9 LEU 10 LYS 11 SER 12 ILE 13 PHE 14 GLU 15 LYS 16 TYR 17 ALA 18 ALA 19 LYS 20 GLU 21 GLY 22 ASP 23 PRO 24 ASN 25 GLN 26 LEU 27 SER 28 LYS 29 GLU 30 GLU 31 LEU 32 LYS 33 GLN 34 LEU 35 ILE 36 GLN 37 ALA 38 GLU 39 PHE 40 PRO 41 SER 42 LEU 43 LEU 44 LYS 45 GLY 46 PRO 47 ARG 48 THR 49 LEU 50 ASP 51 ASP 52 LEU 53 PHE 54 GLN 55 GLU 56 LEU 57 ASP 58 LYS 59 ASN 60 GLY 61 ASP 62 GLY 63 GLU 64 VAL 65 SER 66 PHE 67 GLU 68 GLU 69 PHE 70 GLN 71 VAL 72 LEU 73 VAL 74 LYS 75 LYS 76 ILE 77 SER 78 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 1CB1 "Three-Dimensional Solution Structure Of Ca2+-Loaded Porcine Calbindin D9k Determined By Nuclear Magnetic Resonance Spectroscopy" 98.72 78 100.00 100.00 6.58e-45 GB AAA81524 "calbindin D-9k [Sus scrofa]" 98.72 79 100.00 100.00 6.84e-45 REF NP_999305 "protein S100-G [Sus scrofa]" 98.72 79 100.00 100.00 6.84e-45 SP P02632 "RecName: Full=Protein S100-G; AltName: Full=Calbindin-D9k; AltName: Full=S100 calcium-binding protein G; AltName: Full=Vitamin " 98.72 79 100.00 100.00 6.84e-45 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_SAC _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common N-ACETYL-SERINE _BMRB_code SAC _PDB_code SAC _Standard_residue_derivative . _Molecular_mass 147.129 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1A C1A C . 0 . ? C2A C2A C . 0 . ? OAC OAC O . 0 . ? N N N . 0 . ? CA CA C . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? CB CB C . 0 . ? OG OG O . 0 . ? H2A1 H2A1 H . 0 . ? H2A2 H2A2 H . 0 . ? H2A3 H2A3 H . 0 . ? H H H . 0 . ? HA HA H . 0 . ? HXT HXT H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HG HG H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C1A C2A ? ? DOUB C1A OAC ? ? SING C1A N ? ? SING C2A H2A1 ? ? SING C2A H2A2 ? ? SING C2A H2A3 ? ? SING N CA ? ? SING N H ? ? SING CA C ? ? SING CA CB ? ? SING CA HA ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? SING CB OG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING OG HG ? ? 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 _Tissue $calbindin pig 9823 Eukaryota Metazoa Sus scrofo generic 'small intestine' 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 $calbindin '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 . n/a temperature 300 . 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 H2O/HDO H . . ppm 4.75 . . . . . $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 calbindin _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 SAC H H 8.31 0.02 1 2 . 1 SAC HA H 4.43 0.02 1 3 . 1 SAC HB2 H 3.87 0.02 2 4 . 1 SAC HB3 H 3.83 0.02 2 5 . 2 ALA H H 8.45 0.02 1 6 . 2 ALA HA H 4.38 0.02 1 7 . 2 ALA HB H 1.41 0.02 1 8 . 3 GLN H H 8.28 0.02 1 9 . 3 GLN HA H 4.36 0.02 1 10 . 3 GLN HB2 H 1.98 0.02 2 11 . 3 GLN HB3 H 2.09 0.02 2 12 . 3 GLN HG2 H 2.37 0.02 1 13 . 3 GLN HG3 H 2.37 0.02 1 14 . 4 LYS H H 8.5 0.02 1 15 . 4 LYS HA H 4.57 0.02 1 16 . 4 LYS HB2 H 1.79 0.02 1 17 . 4 LYS HB3 H 1.79 0.02 1 18 . 4 LYS HG2 H 1.56 0.02 1 19 . 4 LYS HG3 H 1.56 0.02 1 20 . 4 LYS HD2 H 1.71 0.02 1 21 . 4 LYS HD3 H 1.71 0.02 1 22 . 4 LYS HE2 H 2.99 0.02 1 23 . 4 LYS HE3 H 2.99 0.02 1 24 . 5 SER H H 9.09 0.02 1 25 . 5 SER HA H 4.78 0.02 1 26 . 5 SER HB2 H 4.39 0.02 2 27 . 5 SER HB3 H 4.06 0.02 2 28 . 6 PRO HA H 4.34 0.02 1 29 . 6 PRO HB2 H 1.99 0.02 2 30 . 6 PRO HB3 H 2.49 0.02 2 31 . 6 PRO HG2 H 2.07 0.02 2 32 . 6 PRO HG3 H 2.24 0.02 2 33 . 6 PRO HD2 H 3.93 0.02 2 34 . 6 PRO HD3 H 3.98 0.02 2 35 . 7 ALA H H 8.22 0.02 1 36 . 7 ALA HA H 4.16 0.02 1 37 . 7 ALA HB H 1.43 0.02 1 38 . 8 GLU H H 7.99 0.02 1 39 . 8 GLU HA H 4.14 0.02 1 40 . 8 GLU HB2 H 2.07 0.02 2 41 . 8 GLU HB3 H 2.41 0.02 2 42 . 8 GLU HG2 H 2.31 0.02 2 43 . 8 GLU HG3 H 2.43 0.02 2 44 . 9 LEU H H 8.59 0.02 1 45 . 9 LEU HA H 4.25 0.02 1 46 . 9 LEU HB2 H 2.19 0.02 2 47 . 9 LEU HB3 H 1.71 0.02 2 48 . 9 LEU HG H 1.9 0.02 1 49 . 9 LEU HD1 H .98 0.02 2 50 . 9 LEU HD2 H 1.05 0.02 2 51 . 10 LYS H H 8.24 0.02 1 52 . 10 LYS HA H 3.97 0.02 1 53 . 10 LYS HB2 H 1.76 0.02 2 54 . 10 LYS HB3 H 1.94 0.02 2 55 . 10 LYS HG2 H 1.19 0.02 2 56 . 10 LYS HG3 H .8 0.02 2 57 . 10 LYS HD2 H 1.29 0.02 2 58 . 10 LYS HD3 H 1.34 0.02 2 59 . 10 LYS HE2 H 2.57 0.02 2 60 . 10 LYS HE3 H 2.63 0.02 2 61 . 11 SER H H 7.85 0.02 1 62 . 11 SER HA H 4.28 0.02 1 63 . 11 SER HB2 H 4.01 0.02 1 64 . 11 SER HB3 H 4.01 0.02 1 65 . 12 ILE H H 8.23 0.02 1 66 . 12 ILE HA H 3.83 0.02 1 67 . 12 ILE HB H 2.17 0.02 1 68 . 12 ILE HG12 H 1.19 0.02 2 69 . 12 ILE HG13 H 2 0.02 2 70 . 12 ILE HG2 H 1.14 0.02 1 71 . 12 ILE HD1 H .94 0.02 1 72 . 13 PHE H H 8.41 0.02 1 73 . 13 PHE HA H 3.54 0.02 1 74 . 13 PHE HB2 H 2.71 0.02 2 75 . 13 PHE HB3 H 3.33 0.02 2 76 . 13 PHE HD1 H 6.35 0.02 1 77 . 13 PHE HD2 H 6.35 0.02 1 78 . 13 PHE HE1 H 7.11 0.02 1 79 . 13 PHE HE2 H 7.11 0.02 1 80 . 13 PHE HZ H 7.615 0.02 1 81 . 14 GLU H H 8.55 0.02 1 82 . 14 GLU HA H 3.75 0.02 1 83 . 14 GLU HB2 H 1.94 0.02 2 84 . 14 GLU HB3 H 2.11 0.02 2 85 . 14 GLU HG2 H 2.33 0.02 2 86 . 14 GLU HG3 H 2.68 0.02 2 87 . 15 LYS H H 7.75 0.02 1 88 . 15 LYS HA H 3.82 0.02 1 89 . 15 LYS HB2 H 1.8 0.02 2 90 . 15 LYS HB3 H 1.75 0.02 2 91 . 15 LYS HG2 H 1.1 0.02 2 92 . 15 LYS HG3 H .48 0.02 2 93 . 15 LYS HD2 H 1.41 0.02 2 94 . 15 LYS HD3 H 1.45 0.02 2 95 . 15 LYS HE2 H 2.68 0.02 1 96 . 15 LYS HE3 H 2.68 0.02 1 97 . 16 TYR H H 7.22 0.02 1 98 . 16 TYR HA H 3.98 0.02 1 99 . 16 TYR HB2 H 2.42 0.02 2 100 . 16 TYR HB3 H 2.8 0.02 2 101 . 16 TYR HD1 H 7.39 0.02 1 102 . 16 TYR HD2 H 7.39 0.02 1 103 . 16 TYR HE1 H 6.73 0.02 1 104 . 16 TYR HE2 H 6.73 0.02 1 105 . 17 ALA H H 8.36 0.02 1 106 . 17 ALA HA H 3.78 0.02 1 107 . 17 ALA HB H .42 0.02 1 108 . 18 ALA H H 6.91 0.02 1 109 . 18 ALA HA H 4.3 0.02 1 110 . 18 ALA HB H 1.42 0.02 1 111 . 19 LYS H H 7.17 0.02 1 112 . 19 LYS HA H 3.85 0.02 1 113 . 19 LYS HB2 H 1.9 0.02 2 114 . 19 LYS HB3 H 2.17 0.02 2 115 . 19 LYS HG2 H 1.47 0.02 1 116 . 19 LYS HG3 H 1.47 0.02 1 117 . 19 LYS HD2 H 1.76 0.02 2 118 . 19 LYS HD3 H 1.71 0.02 2 119 . 19 LYS HE2 H 2.75 0.02 2 120 . 19 LYS HE3 H 2.91 0.02 2 121 . 20 GLU H H 9.7 0.02 1 122 . 20 GLU HA H 4.72 0.02 1 123 . 20 GLU HB2 H 1.88 0.02 2 124 . 20 GLU HB3 H 2 0.02 2 125 . 20 GLU HG2 H 1.92 0.02 2 126 . 20 GLU HG3 H 2.22 0.02 2 127 . 21 GLY H H 9.01 0.02 1 128 . 21 GLY HA2 H 3.64 0.02 2 129 . 21 GLY HA3 H 3.97 0.02 2 130 . 22 ASP H H 8.32 0.02 1 131 . 22 ASP HA H 4.68 0.02 1 132 . 22 ASP HB2 H 2.63 0.02 2 133 . 22 ASP HB3 H 2.86 0.02 2 134 . 23 PRO HA H 4.8 0.02 1 135 . 23 PRO HB2 H 2.02 0.02 2 136 . 23 PRO HB3 H 2.22 0.02 2 137 . 23 PRO HG2 H 1.87 0.02 2 138 . 23 PRO HG3 H 2.07 0.02 2 139 . 23 PRO HD2 H 3.98 0.02 1 140 . 23 PRO HD3 H 3.98 0.02 1 141 . 24 ASN H H 9.01 0.02 1 142 . 24 ASN HA H 4.96 0.02 1 143 . 24 ASN HB2 H 2.7 0.02 2 144 . 24 ASN HB3 H 3.02 0.02 2 145 . 24 ASN HD21 H 6.96 0.02 2 146 . 24 ASN HD22 H 7.94 0.02 2 147 . 25 GLN H H 7.23 0.02 1 148 . 25 GLN HA H 5.11 0.02 1 149 . 25 GLN HB2 H 1.83 0.02 2 150 . 25 GLN HB3 H 2.01 0.02 2 151 . 25 GLN HG2 H 2.11 0.02 2 152 . 25 GLN HG3 H 2.26 0.02 2 153 . 25 GLN HE21 H 6.58 0.02 2 154 . 25 GLN HE22 H 7.46 0.02 2 155 . 26 LEU H H 9.55 0.02 1 156 . 26 LEU HA H 5.48 0.02 1 157 . 26 LEU HB2 H 1.55 0.02 2 158 . 26 LEU HB3 H 2.07 0.02 2 159 . 26 LEU HG H 1.28 0.02 1 160 . 26 LEU HD1 H .34 0.02 2 161 . 26 LEU HD2 H .73 0.02 2 162 . 27 SER H H 10.09 0.02 1 163 . 27 SER HA H 4.81 0.02 1 164 . 27 SER HB2 H 4.18 0.02 2 165 . 27 SER HB3 H 4.35 0.02 2 166 . 28 LYS H H 8.71 0.02 1 167 . 28 LYS HA H 3.45 0.02 1 168 . 28 LYS HB2 H .45 0.02 2 169 . 28 LYS HB3 H 1.29 0.02 2 170 . 28 LYS HG2 H .65 0.02 2 171 . 28 LYS HG3 H .98 0.02 2 172 . 28 LYS HD2 H 1.33 0.02 2 173 . 28 LYS HD3 H 1.38 0.02 2 174 . 28 LYS HE2 H 2.56 0.02 2 175 . 28 LYS HE3 H 2.57 0.02 2 176 . 29 GLU H H 7.98 0.02 1 177 . 29 GLU HA H 4.01 0.02 1 178 . 29 GLU HB2 H 1.83 0.02 2 179 . 29 GLU HB3 H 2 0.02 2 180 . 29 GLU HG2 H 2.14 0.02 2 181 . 29 GLU HG3 H 2.37 0.02 2 182 . 30 GLU H H 7.73 0.02 1 183 . 30 GLU HA H 3.9 0.02 1 184 . 30 GLU HB2 H 1.86 0.02 2 185 . 30 GLU HB3 H 2.34 0.02 2 186 . 30 GLU HG2 H 1.89 0.02 2 187 . 30 GLU HG3 H 2.28 0.02 2 188 . 31 LEU H H 8.82 0.02 1 189 . 31 LEU HA H 4.06 0.02 1 190 . 31 LEU HB2 H 1.59 0.02 2 191 . 31 LEU HB3 H 2.23 0.02 2 192 . 31 LEU HG H 1.77 0.02 1 193 . 31 LEU HD1 H 1.08 0.02 2 194 . 31 LEU HD2 H 1.12 0.02 2 195 . 32 LYS H H 8.41 0.02 1 196 . 32 LYS HA H 3.61 0.02 1 197 . 32 LYS HB2 H 1.85 0.02 2 198 . 32 LYS HB3 H 2.09 0.02 2 199 . 32 LYS HG2 H 1.18 0.02 2 200 . 32 LYS HG3 H 1.33 0.02 2 201 . 32 LYS HD2 H 1.63 0.02 1 202 . 32 LYS HD3 H 1.63 0.02 1 203 . 32 LYS HE2 H 2.82 0.02 1 204 . 32 LYS HE3 H 2.82 0.02 1 205 . 33 GLN H H 7.79 0.02 1 206 . 33 GLN HA H 3.87 0.02 1 207 . 33 GLN HB2 H 2 0.02 2 208 . 33 GLN HB3 H 2.18 0.02 2 209 . 33 GLN HG2 H 2.43 0.02 2 210 . 33 GLN HG3 H 2.69 0.02 2 211 . 33 GLN HE21 H 6.79 0.02 2 212 . 33 GLN HE22 H 7.69 0.02 2 213 . 34 LEU H H 8.02 0.02 1 214 . 34 LEU HA H 2.33 0.02 1 215 . 34 LEU HB2 H 1.18 0.02 2 216 . 34 LEU HB3 H 1.71 0.02 2 217 . 34 LEU HG H 1.27 0.02 1 218 . 34 LEU HD1 H .8 0.02 2 219 . 34 LEU HD2 H .92 0.02 2 220 . 35 ILE H H 8.83 0.02 1 221 . 35 ILE HA H 3.46 0.02 1 222 . 35 ILE HB H 1.9 0.02 1 223 . 35 ILE HG12 H 1.22 0.02 2 224 . 35 ILE HG13 H 1.77 0.02 2 225 . 35 ILE HG2 H .89 0.02 1 226 . 35 ILE HD1 H .75 0.02 1 227 . 36 GLN H H 8.38 0.02 1 228 . 36 GLN HA H 3.78 0.02 1 229 . 36 GLN HB2 H 1.95 0.02 2 230 . 36 GLN HB3 H 2.1 0.02 2 231 . 36 GLN HG2 H 2.32 0.02 2 232 . 36 GLN HG3 H 2.53 0.02 2 233 . 36 GLN HE21 H 6.8 0.02 2 234 . 36 GLN HE22 H 7.17 0.02 2 235 . 37 ALA H H 7.44 0.02 1 236 . 37 ALA HA H 4.27 0.02 1 237 . 37 ALA HB H 1.54 0.02 1 238 . 38 GLU H H 8.21 0.02 1 239 . 38 GLU HA H 4.33 0.02 1 240 . 38 GLU HB2 H 1.31 0.02 2 241 . 38 GLU HB3 H 1.32 0.02 2 242 . 38 GLU HG2 H 2.12 0.02 2 243 . 38 GLU HG3 H 2.48 0.02 2 244 . 39 PHE H H 8.38 0.02 1 245 . 39 PHE HA H 5.25 0.02 1 246 . 39 PHE HB2 H 2.73 0.02 2 247 . 39 PHE HB3 H 3.36 0.02 2 248 . 39 PHE HD1 H 7.135 0.02 1 249 . 39 PHE HD2 H 7.135 0.02 1 250 . 39 PHE HE1 H 7.135 0.02 1 251 . 39 PHE HE2 H 7.135 0.02 1 252 . 39 PHE HZ H 6.98 0.02 1 253 . 40 PRO HA H 4.12 0.02 1 254 . 40 PRO HB2 H 1.23 0.02 2 255 . 40 PRO HB3 H 2.45 0.02 2 256 . 40 PRO HG2 H 1.9 0.02 2 257 . 40 PRO HG3 H 1.95 0.02 2 258 . 40 PRO HD2 H 3.13 0.02 2 259 . 40 PRO HD3 H 3.51 0.02 2 260 . 41 SER H H 8.4 0.02 1 261 . 41 SER HA H 4.18 0.02 1 262 . 41 SER HB2 H 3.9 0.02 2 263 . 41 SER HB3 H 3.98 0.02 2 264 . 42 LEU H H 8.06 0.02 1 265 . 42 LEU HA H 4.13 0.02 1 266 . 42 LEU HB2 H 1.48 0.02 2 267 . 42 LEU HB3 H 1.86 0.02 2 268 . 42 LEU HG H 1.77 0.02 1 269 . 42 LEU HD1 H .75 0.02 2 270 . 42 LEU HD2 H .79 0.02 2 271 . 43 LEU H H 7.4 0.02 1 272 . 43 LEU HA H 4.44 0.02 1 273 . 43 LEU HB2 H 1.7 0.02 2 274 . 43 LEU HB3 H 1.74 0.02 2 275 . 43 LEU HG H 1.55 0.02 1 276 . 43 LEU HD1 H .79 0.02 2 277 . 43 LEU HD2 H .95 0.02 2 278 . 44 LYS H H 7.35 0.02 1 279 . 44 LYS HA H 4.47 0.02 1 280 . 44 LYS HB2 H 1.73 0.02 2 281 . 44 LYS HB3 H 1.97 0.02 2 282 . 44 LYS HG2 H 1.4 0.02 2 283 . 44 LYS HG3 H 1.57 0.02 2 284 . 44 LYS HD2 H 1.65 0.02 1 285 . 44 LYS HD3 H 1.65 0.02 1 286 . 44 LYS HE2 H 2.96 0.02 1 287 . 44 LYS HE3 H 2.96 0.02 1 288 . 45 GLY H H 8.04 0.02 1 289 . 45 GLY HA2 H 4.12 0.02 2 290 . 45 GLY HA3 H 4.22 0.02 2 291 . 46 PRO HA H 4.42 0.02 1 292 . 46 PRO HB2 H 2.03 0.02 2 293 . 46 PRO HB3 H 2.26 0.02 2 294 . 46 PRO HG2 H 2.04 0.02 2 295 . 46 PRO HG3 H 1.94 0.02 2 296 . 46 PRO HD2 H 3.57 0.02 2 297 . 46 PRO HD3 H 3.74 0.02 2 298 . 47 ARG H H 7.99 0.02 1 299 . 47 ARG HA H 4.64 0.02 1 300 . 47 ARG HB2 H 1.77 0.02 2 301 . 47 ARG HB3 H 1.92 0.02 2 302 . 47 ARG HG2 H 1.65 0.02 1 303 . 47 ARG HG3 H 1.65 0.02 1 304 . 47 ARG HD2 H 3.15 0.02 2 305 . 47 ARG HD3 H 3.17 0.02 2 306 . 47 ARG HE H 7.49 0.02 1 307 . 48 THR H H 8.36 0.02 1 308 . 48 THR HA H 4.28 0.02 1 309 . 48 THR HB H 4.48 0.02 1 310 . 48 THR HG2 H 1.38 0.02 1 311 . 49 LEU H H 8.82 0.02 1 312 . 49 LEU HA H 3.99 0.02 1 313 . 49 LEU HB2 H 1.72 0.02 2 314 . 49 LEU HB3 H 1.83 0.02 2 315 . 49 LEU HG H 1.66 0.02 1 316 . 49 LEU HD1 H .94 0.02 1 317 . 49 LEU HD2 H .94 0.02 1 318 . 50 ASP H H 8.03 0.02 1 319 . 50 ASP HA H 4.22 0.02 1 320 . 50 ASP HB2 H 2.55 0.02 2 321 . 50 ASP HB3 H 2.68 0.02 2 322 . 51 ASP H H 7.89 0.02 1 323 . 51 ASP HA H 4.35 0.02 1 324 . 51 ASP HB2 H 2.68 0.02 2 325 . 51 ASP HB3 H 2.88 0.02 2 326 . 52 LEU H H 8.39 0.02 1 327 . 52 LEU HA H 4.13 0.02 1 328 . 52 LEU HB2 H 1.7 0.02 2 329 . 52 LEU HB3 H 1.76 0.02 2 330 . 52 LEU HG H 1.6 0.02 1 331 . 52 LEU HD1 H .81 0.02 2 332 . 52 LEU HD2 H .8 0.02 2 333 . 53 PHE H H 8.98 0.02 1 334 . 53 PHE HA H 3.64 0.02 1 335 . 53 PHE HB2 H 2.99 0.02 2 336 . 53 PHE HB3 H 3.22 0.02 2 337 . 54 GLN H H 7.84 0.02 1 338 . 54 GLN HA H 3.97 0.02 1 339 . 54 GLN HB2 H 2.17 0.02 2 340 . 54 GLN HB3 H 2.21 0.02 2 341 . 54 GLN HG2 H 2.46 0.02 2 342 . 54 GLN HG3 H 2.56 0.02 2 343 . 55 GLU H H 7.67 0.02 1 344 . 55 GLU HA H 3.88 0.02 1 345 . 55 GLU HB2 H 1.88 0.02 2 346 . 55 GLU HB3 H 2.06 0.02 2 347 . 55 GLU HG2 H 1.97 0.02 2 348 . 55 GLU HG3 H 2.26 0.02 2 349 . 56 LEU H H 7.93 0.02 1 350 . 56 LEU HA H 4.14 0.02 1 351 . 56 LEU HB2 H 1.14 0.02 2 352 . 56 LEU HB3 H 1.64 0.02 2 353 . 56 LEU HG H 2 0.02 1 354 . 56 LEU HD1 H .73 0.02 2 355 . 56 LEU HD2 H .82 0.02 2 356 . 57 ASP H H 7.93 0.02 1 357 . 57 ASP HA H 4.55 0.02 1 358 . 57 ASP HB2 H 1.57 0.02 2 359 . 57 ASP HB3 H 2.48 0.02 2 360 . 58 LYS H H 8.05 0.02 1 361 . 58 LYS HA H 4.04 0.02 1 362 . 58 LYS HB2 H 1.85 0.02 2 363 . 58 LYS HB3 H 1.86 0.02 2 364 . 58 LYS HG2 H 1.5 0.02 2 365 . 58 LYS HG3 H 1.69 0.02 2 366 . 58 LYS HD2 H 1.73 0.02 2 367 . 58 LYS HD3 H 1.74 0.02 2 368 . 58 LYS HE2 H 3.05 0.02 2 369 . 58 LYS HE3 H 3.09 0.02 2 370 . 59 ASN H H 7.92 0.02 1 371 . 59 ASN HA H 4.81 0.02 1 372 . 59 ASN HB2 H 2.85 0.02 2 373 . 59 ASN HB3 H 3.29 0.02 2 374 . 59 ASN HD21 H 6.63 0.02 2 375 . 59 ASN HD22 H 8.04 0.02 2 376 . 60 GLY H H 7.58 0.02 1 377 . 60 GLY HA2 H 3.8 0.02 2 378 . 60 GLY HA3 H 3.83 0.02 2 379 . 61 ASP H H 8.22 0.02 1 380 . 61 ASP HA H 4.63 0.02 1 381 . 61 ASP HB2 H 2.46 0.02 2 382 . 61 ASP HB3 H 3.13 0.02 2 383 . 62 GLY H H 10.48 0.02 1 384 . 62 GLY HA2 H 3.7 0.02 2 385 . 62 GLY HA3 H 4.28 0.02 2 386 . 63 GLU H H 7.77 0.02 1 387 . 63 GLU HA H 5.13 0.02 1 388 . 63 GLU HB2 H 1.44 0.02 2 389 . 63 GLU HB3 H 1.9 0.02 2 390 . 63 GLU HG2 H 2 0.02 2 391 . 63 GLU HG3 H 2.18 0.02 2 392 . 64 VAL H H 10.38 0.02 1 393 . 64 VAL HA H 5.12 0.02 1 394 . 64 VAL HB H 2.34 0.02 1 395 . 64 VAL HG1 H .51 0.02 2 396 . 64 VAL HG2 H 1.24 0.02 2 397 . 65 SER H H 9.55 0.02 1 398 . 65 SER HA H 4.88 0.02 1 399 . 65 SER HB2 H 4.22 0.02 2 400 . 65 SER HB3 H 4.53 0.02 2 401 . 66 PHE H H 9.61 0.02 1 402 . 66 PHE HA H 3.32 0.02 1 403 . 66 PHE HB2 H 2.43 0.02 2 404 . 66 PHE HB3 H 2.65 0.02 2 405 . 66 PHE HD1 H 6.49 0.02 1 406 . 66 PHE HD2 H 6.49 0.02 1 407 . 66 PHE HE1 H 7.125 0.02 1 408 . 66 PHE HE2 H 7.125 0.02 1 409 . 66 PHE HZ H 7.35 0.02 1 410 . 67 GLU H H 8.47 0.02 1 411 . 67 GLU HA H 3.86 0.02 1 412 . 67 GLU HB2 H 1.89 0.02 2 413 . 67 GLU HB3 H 2.05 0.02 2 414 . 67 GLU HG2 H 2.25 0.02 2 415 . 67 GLU HG3 H 2.33 0.02 2 416 . 68 GLU H H 7.98 0.02 1 417 . 68 GLU HA H 4.07 0.02 1 418 . 68 GLU HB2 H 2.38 0.02 2 419 . 68 GLU HB3 H 2.56 0.02 2 420 . 68 GLU HG2 H 2.6 0.02 1 421 . 68 GLU HG3 H 2.6 0.02 1 422 . 69 PHE H H 8.91 0.02 1 423 . 69 PHE HA H 3.97 0.02 1 424 . 69 PHE HB2 H 3.14 0.02 2 425 . 69 PHE HB3 H 3.3 0.02 2 426 . 69 PHE HD1 H 6.91 0.02 1 427 . 69 PHE HD2 H 6.91 0.02 1 428 . 69 PHE HE1 H 7.2 0.02 1 429 . 69 PHE HE2 H 7.2 0.02 1 430 . 69 PHE HZ H 7.14 0.02 1 431 . 70 GLN H H 7.6 0.02 1 432 . 70 GLN HA H 3.44 0.02 1 433 . 70 GLN HB2 H 1.89 0.02 2 434 . 70 GLN HB3 H 1.95 0.02 2 435 . 70 GLN HG2 H 2.12 0.02 2 436 . 70 GLN HG3 H 2.3 0.02 2 437 . 70 GLN HE21 H 5.77 0.02 2 438 . 70 GLN HE22 H 6.15 0.02 2 439 . 71 VAL H H 7.07 0.02 1 440 . 71 VAL HA H 3.54 0.02 1 441 . 71 VAL HB H 1.96 0.02 1 442 . 71 VAL HG1 H .81 0.02 2 443 . 71 VAL HG2 H 1.01 0.02 2 444 . 72 LEU H H 7.15 0.02 1 445 . 72 LEU HA H 3.72 0.02 1 446 . 72 LEU HB2 H 1.25 0.02 2 447 . 72 LEU HB3 H 1.32 0.02 2 448 . 72 LEU HG H 1.21 0.02 1 449 . 72 LEU HD1 H .48 0.02 2 450 . 72 LEU HD2 H .69 0.02 2 451 . 73 VAL H H 6.84 0.02 1 452 . 73 VAL HA H 3.15 0.02 1 453 . 73 VAL HB H 1.97 0.02 1 454 . 73 VAL HG1 H .6 0.02 2 455 . 73 VAL HG2 H .74 0.02 2 456 . 74 LYS H H 7.44 0.02 1 457 . 74 LYS HA H 4 0.02 1 458 . 74 LYS HB2 H 1.75 0.02 2 459 . 74 LYS HB3 H 1.83 0.02 2 460 . 74 LYS HG2 H 1.38 0.02 2 461 . 74 LYS HG3 H 1.45 0.02 2 462 . 74 LYS HD2 H 1.58 0.02 1 463 . 74 LYS HD3 H 1.58 0.02 1 464 . 74 LYS HE2 H 2.88 0.02 1 465 . 74 LYS HE3 H 2.88 0.02 1 466 . 75 LYS H H 7.48 0.02 1 467 . 75 LYS HA H 4.12 0.02 1 468 . 75 LYS HB2 H 1.83 0.02 1 469 . 75 LYS HB3 H 1.83 0.02 1 470 . 75 LYS HG2 H 1.35 0.02 2 471 . 75 LYS HG3 H 1.47 0.02 2 472 . 75 LYS HD2 H 1.42 0.02 2 473 . 75 LYS HD3 H 1.58 0.02 2 474 . 75 LYS HE2 H 2.69 0.02 2 475 . 75 LYS HE3 H 2.81 0.02 2 476 . 76 ILE H H 7.41 0.02 1 477 . 76 ILE HA H 4.07 0.02 1 478 . 76 ILE HB H 1.84 0.02 1 479 . 76 ILE HG12 H .83 0.02 2 480 . 76 ILE HG13 H 1.22 0.02 2 481 . 76 ILE HG2 H .64 0.02 1 482 . 76 ILE HD1 H .29 0.02 1 483 . 77 SER H H 7.69 0.02 1 484 . 77 SER HA H 4.51 0.02 1 485 . 77 SER HB2 H 3.85 0.02 1 486 . 77 SER HB3 H 3.85 0.02 1 487 . 78 GLN H H 7.7 0.02 1 488 . 78 GLN HA H 4.14 0.02 1 489 . 78 GLN HB2 H 1.93 0.02 2 490 . 78 GLN HB3 H 2.09 0.02 2 491 . 78 GLN HG2 H 2.3 0.02 1 492 . 78 GLN HG3 H 2.3 0.02 1 stop_ save_