data_4673 #Corrected using PDB structure: 1EIOA # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a HA chemical shift difference (obs*-pred) greater than 0.7ppm: #NUM AA CS Observed* Predicted # 27 A HA 4.03 5.04 # 32 R HA 3.36 4.44 # 50 S HA 5.97 5.21 # 58 S HA 5.51 4.59 # 73 T HA 4.63 3.71 # 99 H HA 5.59 4.82 #100 T HA 5.34 4.59 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.10 N/A N/A N/A N/A -0.06 # #bmr4673.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr4673.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 +/-0.07 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.805 N/A N/A N/A N/A 0.622 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.170 N/A N/A N/A N/A 0.367 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Ileal Lipid Binding Protein in complex with glycocholate ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Luecke Christian . . 2 Zhang Fengli . . 3 Hamilton James A. . 4 Sacchettini James C. . 5 Rueterjans Heinz . . stop_ _BMRB_accession_number 4673 _BMRB_flat_file_name bmr4673.str _Entry_type new _Submission_date 2000-02-26 _Accession_date 2000-02-29 _Entry_origination author _NMR_STAR_version 2.1.1 _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' 765 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Solution structure of Ileal Lipid Binding Protein in complex with glycocholate ; _Citation_status published _Citation_type journal _MEDLINE_UI_code 10806391 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Luecke Christian . . 2 Zhang Fengli . . 3 Hamilton James A. . 4 Sacchettini James C. . 5 Rueterjans Heinz . . stop_ _Journal_abbreviation "Eur. J. Biochem." _Journal_name_full "European Journal of Biochemistry" _Journal_volume 267 _Page_first 2929 _Page_last 2938 _Year 2000 loop_ _Keyword "lipid binding protein" "NMR spectroscopy" "protein-ligand interaction" "bile acid binding" stop_ save_ ################################## # Molecular system description # ################################## save_system_ILBP _Saveframe_category molecular_system _Mol_system_name "ileal lipid binding protein" _Abbreviation_common ILBP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ILBP $ILBP glycocholate $glycocholate stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function "lipid binding protein" stop_ loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1EIO "A Chain A, Ileal Lipid Binding Protein In Complex With Glycocholate" . PDB 1EAL "Nmr Study Of Ileal Lipid Binding Protein" . stop_ save_ ######################## # Monomeric polymers # ######################## save_ILBP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "ileal lipid binding protein" _Name_variant . _Abbreviation_common ILBP _Molecular_mass 14088 _Mol_thiol_state 'all free' ############################## # Polymer residue sequence # ############################## _Sequence_citation_label $ref1 ############################## # Polymer residue sequence # ############################## _Residue_count 127 _Mol_residue_sequence ; AFTGKYEIESEKNYDEFMKR LALPSDAIDKARNLKIISEV KQDGQNFTWSQQYPGGHSIT NTFTIGKECDIETIGGKKFK ATVQMEGGKVVVNSPNYHHT AEIVDGKLVEVSTVGGVSYE RVSKKLA ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 PHE 3 THR 4 GLY 5 LYS 6 TYR 7 GLU 8 ILE 9 GLU 10 SER 11 GLU 12 LYS 13 ASN 14 TYR 15 ASP 16 GLU 17 PHE 18 MET 19 LYS 20 ARG 21 LEU 22 ALA 23 LEU 24 PRO 25 SER 26 ASP 27 ALA 28 ILE 29 ASP 30 LYS 31 ALA 32 ARG 33 ASN 34 LEU 35 LYS 36 ILE 37 ILE 38 SER 39 GLU 40 VAL 41 LYS 42 GLN 43 ASP 44 GLY 45 GLN 46 ASN 47 PHE 48 THR 49 TRP 50 SER 51 GLN 52 GLN 53 TYR 54 PRO 55 GLY 56 GLY 57 HIS 58 SER 59 ILE 60 THR 61 ASN 62 THR 63 PHE 64 THR 65 ILE 66 GLY 67 LYS 68 GLU 69 CYS 70 ASP 71 ILE 72 GLU 73 THR 74 ILE 75 GLY 76 GLY 77 LYS 78 LYS 79 PHE 80 LYS 81 ALA 82 THR 83 VAL 84 GLN 85 MET 86 GLU 87 GLY 88 GLY 89 LYS 90 VAL 91 VAL 92 VAL 93 ASN 94 SER 95 PRO 96 ASN 97 TYR 98 HIS 99 HIS 100 THR 101 ALA 102 GLU 103 ILE 104 VAL 105 ASP 106 GLY 107 LYS 108 LEU 109 VAL 110 GLU 111 VAL 112 SER 113 THR 114 VAL 115 GLY 116 GLY 117 VAL 118 SER 119 TYR 120 GLU 121 ARG 122 VAL 123 SER 124 LYS 125 LYS 126 LEU 127 ALA stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-06-03 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 1EAL "Nmr Study Of Ileal Lipid Binding Protein" 100.00 127 100 100 6e-68 PDB 1EIO "A Chain A, Ileal Lipid Binding Protein InComplex With Glycocholate" 100.00 127 100 100 2e-68 GenBank AAA77657.1 "gastrotropin precursor" 82.47 154 99 100 5e-68 PIR A32675 "gastrotropin - pig" 99.22 128 99 100 5e-68 REF NP_999380.1 "gastrotropin [Sus scrofa]" 82.47 154 99 100 5e-68 SWISS-PROT P10289 "ILBP_PIG Gastrotropin (GT) (Ileallipid-binding protein) (ILBP) (Porcine ileal peptide)(PIP)" 99.22 128 99 100 5e-68 stop_ save_ ############# # Ligands # ############# save_glycocholate _Saveframe_category ligand _Name_common glycocholate _Mol_paramagnetic no _Mol_aromatic no save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organ $ILBP pig 9823 Eukaryota Metazoa Sus scrofa ileum 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 $ILBP 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $ILBP . mM 3 4 . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 1.3 loop_ _Task "data acquisition and processing" stop_ save_ save_AURELIA _Saveframe_category software _Name AURELIA _Version 2.1 loop_ _Task "data analysis" stop_ save_ save_FELIX _Saveframe_category software _Name FELIX _Version 95.0 loop_ _Task "data analysis" stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 1H-1H TOCSY 1H-1H NOESY 1H-13C NOESY ; save_ ####################### # Sample conditions # ####################### save_cond1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 0.2 n/a temperature 310 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference 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 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 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_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name ILBP 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 ALA HA H 4.19 0.01 1 2 1 ALA HB H 1.21 0.01 1 3 2 PHE H H 8.17 0.01 1 4 2 PHE HA H 4.18 0.01 1 5 2 PHE HB2 H 3.02 0.01 1 6 2 PHE HB3 H 3.02 0.01 1 7 2 PHE HD1 H 7.39 0.01 1 8 2 PHE HD2 H 7.39 0.01 1 9 2 PHE HE1 H 7.32 0.01 1 10 2 PHE HE2 H 7.32 0.01 1 11 2 PHE HZ H 7.88 0.01 1 12 3 THR H H 7.41 0.01 1 13 3 THR HA H 4.08 0.01 1 14 3 THR HB H 4.02 0.01 1 15 3 THR HG2 H 1.38 0.01 1 16 4 GLY H H 8.88 0.01 1 17 4 GLY HA2 H 3.94 0.01 2 18 4 GLY HA3 H 3.89 0.01 2 19 5 LYS H H 8.01 0.01 1 20 5 LYS HA H 5.26 0.01 1 21 5 LYS HB2 H 1.58 0.01 1 22 5 LYS HB3 H 1.58 0.01 1 23 5 LYS HG2 H 1.23 0.01 1 24 5 LYS HG3 H 1.37 0.01 1 25 5 LYS HD2 H 1.61 0.01 1 26 5 LYS HD3 H 1.61 0.01 1 27 5 LYS HE2 H 2.83 0.01 1 28 5 LYS HE3 H 2.83 0.01 1 29 6 TYR H H 9.52 0.01 1 30 6 TYR HA H 5.74 0.01 1 31 6 TYR HB2 H 2.89 0.01 2 32 6 TYR HB3 H 2.59 0.01 2 33 6 TYR HD1 H 6.76 0.01 1 34 6 TYR HD2 H 6.76 0.01 1 35 6 TYR HE1 H 6.58 0.01 1 36 6 TYR HE2 H 6.58 0.01 1 37 7 GLU H H 9.19 0.01 1 38 7 GLU HA H 5.25 0.01 1 39 7 GLU HB2 H 1.97 0.01 1 40 7 GLU HB3 H 1.97 0.01 1 41 7 GLU HG2 H 2.29 0.01 1 42 7 GLU HG3 H 2.03 0.01 1 43 8 ILE H H 7.68 0.01 1 44 8 ILE HA H 4.35 0.01 1 45 8 ILE HB H 1.87 0.01 1 46 8 ILE HG12 H 1.83 0.01 2 47 8 ILE HG13 H 1.36 0.01 2 48 8 ILE HG2 H 1.07 0.01 1 49 8 ILE HD1 H 0.98 0.01 1 50 9 GLU H H 10.19 0.01 1 51 9 GLU HA H 4.75 0.01 1 52 9 GLU HB2 H 2.09 0.01 1 53 9 GLU HB3 H 2.09 0.01 1 54 9 GLU HG2 H 2.22 0.01 1 55 9 GLU HG3 H 2.22 0.01 1 56 10 SER H H 8.36 0.01 1 57 10 SER HA H 4.88 0.01 1 58 10 SER HB2 H 3.93 0.01 2 59 10 SER HB3 H 3.89 0.01 2 60 11 GLU H H 8.41 0.01 1 61 11 GLU HA H 5.42 0.01 1 62 11 GLU HB2 H 2.33 0.01 2 63 11 GLU HB3 H 2.21 0.01 2 64 11 GLU HG2 H 2.40 0.01 2 65 11 GLU HG3 H 2.36 0.01 2 66 12 LYS H H 9.16 0.01 1 67 12 LYS HA H 4.79 0.01 1 68 12 LYS HB2 H 1.85 0.01 2 69 12 LYS HB3 H 1.72 0.01 2 70 12 LYS HG2 H 1.52 0.01 2 71 12 LYS HG3 H 1.44 0.01 2 72 12 LYS HD2 H 1.62 0.01 1 73 12 LYS HD3 H 1.62 0.01 1 74 12 LYS HE2 H 2.97 0.01 1 75 12 LYS HE3 H 2.97 0.01 1 76 13 ASN H H 9.14 0.01 1 77 13 ASN HA H 4.77 0.01 1 78 13 ASN HB2 H 3.61 0.01 2 79 13 ASN HB3 H 3.31 0.01 2 80 13 ASN HD21 H 7.88 0.01 2 81 13 ASN HD22 H 7.06 0.01 2 82 14 TYR H H 8.45 0.01 1 83 14 TYR HA H 3.79 0.01 1 84 14 TYR HB2 H 3.10 0.01 1 85 14 TYR HB3 H 2.95 0.01 1 86 14 TYR HD1 H 6.95 0.01 1 87 14 TYR HD2 H 6.95 0.01 1 88 14 TYR HE1 H 6.70 0.01 1 89 14 TYR HE2 H 6.70 0.01 1 90 15 ASP H H 8.54 0.01 1 91 15 ASP HA H 3.90 0.01 1 92 15 ASP HB2 H 2.56 0.01 1 93 15 ASP HB3 H 2.69 0.01 1 94 16 GLU H H 8.61 0.01 1 95 16 GLU HA H 3.90 0.01 1 96 16 GLU HB2 H 1.98 0.01 1 97 16 GLU HB3 H 1.98 0.01 1 98 16 GLU HG2 H 2.45 0.01 2 99 16 GLU HG3 H 2.39 0.01 2 100 17 PHE H H 7.92 0.01 1 101 17 PHE HA H 3.98 0.01 1 102 17 PHE HB2 H 3.05 0.01 2 103 17 PHE HB3 H 2.96 0.01 2 104 17 PHE HD1 H 6.89 0.01 1 105 17 PHE HD2 H 6.89 0.01 1 106 17 PHE HE1 H 7.17 0.01 1 107 17 PHE HE2 H 7.17 0.01 1 108 17 PHE HZ H 7.24 0.01 1 109 18 MET H H 8.22 0.01 1 110 18 MET HA H 3.96 0.01 1 111 18 MET HB2 H 1.75 0.01 1 112 18 MET HB3 H 1.71 0.01 1 113 18 MET HG2 H 2.10 0.01 1 114 18 MET HG3 H 1.53 0.01 1 115 18 MET HE H 1.91 0.01 1 116 19 LYS H H 7.76 0.01 1 117 19 LYS HA H 4.03 0.01 1 118 19 LYS HB2 H 1.84 0.01 1 119 19 LYS HB3 H 1.84 0.01 1 120 19 LYS HG2 H 1.38 0.01 1 121 19 LYS HG3 H 1.38 0.01 1 122 19 LYS HD2 H 1.60 0.01 1 123 19 LYS HD3 H 1.60 0.01 1 124 19 LYS HE2 H 2.91 0.01 1 125 19 LYS HE3 H 2.91 0.01 1 126 20 ARG H H 7.72 0.01 1 127 20 ARG HA H 4.15 0.01 1 128 20 ARG HB2 H 1.91 0.01 1 129 20 ARG HB3 H 1.91 0.01 1 130 20 ARG HG2 H 1.91 0.01 2 131 20 ARG HG3 H 1.65 0.01 2 132 20 ARG HD2 H 3.30 0.01 2 133 20 ARG HD3 H 3.22 0.01 2 134 20 ARG HE H 7.41 0.01 1 135 21 LEU H H 7.32 0.01 1 136 21 LEU HA H 4.01 0.01 1 137 21 LEU HB2 H 1.56 0.01 2 138 21 LEU HB3 H 1.44 0.01 2 139 21 LEU HG H 1.30 0.01 1 140 21 LEU HD1 H 0.66 0.01 2 141 21 LEU HD2 H 0.64 0.01 2 142 22 ALA H H 7.81 0.01 1 143 22 ALA HA H 3.98 0.01 1 144 22 ALA HB H 1.38 0.01 1 145 23 LEU H H 7.08 0.01 1 146 23 LEU HA H 4.52 0.01 1 147 23 LEU HB2 H 1.33 0.01 1 148 23 LEU HB3 H 1.33 0.01 1 149 23 LEU HG H 1.59 0.01 1 150 23 LEU HD1 H 0.86 0.01 2 151 23 LEU HD2 H 0.84 0.01 2 152 24 PRO HA H 4.53 0.01 1 153 24 PRO HB2 H 2.42 0.01 1 154 24 PRO HB3 H 2.42 0.01 1 155 24 PRO HG2 H 2.11 0.01 1 156 24 PRO HG3 H 2.11 0.01 1 157 24 PRO HD2 H 3.51 0.01 1 158 24 PRO HD3 H 3.89 0.01 1 159 25 SER H H 8.65 0.01 1 160 25 SER HA H 3.98 0.01 1 161 25 SER HB2 H 3.95 0.01 1 162 25 SER HB3 H 3.95 0.01 1 163 26 ASP H H 8.68 0.01 1 164 26 ASP HA H 4.46 0.01 1 165 26 ASP HB2 H 2.68 0.01 1 166 26 ASP HB3 H 2.68 0.01 1 167 27 ALA H H 7.32 0.01 1 168 27 ALA HA H 4.13 0.01 1 169 27 ALA HB H 1.49 0.01 1 170 28 ILE H H 7.66 0.01 1 171 28 ILE HA H 3.62 0.01 1 172 28 ILE HB H 1.95 0.01 1 173 28 ILE HG12 H 0.59 0.01 1 174 28 ILE HG13 H 1.69 0.01 1 175 28 ILE HG2 H 0.90 0.01 1 176 28 ILE HD1 H 0.66 0.01 1 177 29 ASP H H 8.21 0.01 1 178 29 ASP HA H 4.56 0.01 1 179 29 ASP HB2 H 2.78 0.01 2 180 29 ASP HB3 H 2.76 0.01 2 181 30 LYS H H 7.88 0.01 1 182 30 LYS HA H 4.13 0.01 1 183 30 LYS HB2 H 1.89 0.01 1 184 30 LYS HB3 H 1.89 0.01 1 185 30 LYS HG2 H 1.63 0.01 2 186 30 LYS HG3 H 1.52 0.01 2 187 30 LYS HD2 H 1.69 0.01 1 188 30 LYS HD3 H 1.69 0.01 1 189 30 LYS HE2 H 2.98 0.01 1 190 30 LYS HE3 H 2.98 0.01 1 191 31 ALA H H 7.32 0.01 1 192 31 ALA HA H 4.55 0.01 1 193 31 ALA HB H 1.57 0.01 1 194 32 ARG H H 7.10 0.01 1 195 32 ARG HA H 3.46 0.01 1 196 32 ARG HB2 H 1.95 0.01 2 197 32 ARG HB3 H 1.78 0.01 2 198 32 ARG HG2 H 1.46 0.01 1 199 32 ARG HG3 H 1.46 0.01 1 200 32 ARG HD2 H 3.40 0.01 2 201 32 ARG HD3 H 3.21 0.01 2 202 32 ARG HE H 7.74 0.01 1 203 33 ASN H H 9.10 0.01 1 204 33 ASN HA H 4.38 0.01 1 205 33 ASN HB2 H 3.02 0.01 2 206 33 ASN HB3 H 2.78 0.01 2 207 33 ASN HD21 H 7.60 0.01 2 208 33 ASN HD22 H 6.86 0.01 2 209 34 LEU H H 7.53 0.01 1 210 34 LEU HA H 4.34 0.01 1 211 34 LEU HB2 H 1.82 0.01 2 212 34 LEU HB3 H 1.25 0.01 2 213 34 LEU HG H 1.60 0.01 1 214 34 LEU HD1 H 1.07 0.01 1 215 34 LEU HD2 H 0.92 0.01 1 216 35 LYS H H 8.53 0.01 1 217 35 LYS HA H 4.25 0.01 1 218 35 LYS HB2 H 1.83 0.01 1 219 35 LYS HB3 H 1.83 0.01 1 220 35 LYS HG2 H 1.52 0.01 2 221 35 LYS HG3 H 1.39 0.01 2 222 35 LYS HD2 H 1.72 0.01 1 223 35 LYS HD3 H 1.72 0.01 1 224 35 LYS HE2 H 3.05 0.01 1 225 35 LYS HE3 H 3.05 0.01 1 226 36 ILE H H 6.76 0.01 1 227 36 ILE HA H 4.08 0.01 1 228 36 ILE HB H 1.48 0.01 1 229 36 ILE HG12 H 1.40 0.01 2 230 36 ILE HG13 H 0.51 0.01 2 231 36 ILE HG2 H 0.62 0.01 1 232 36 ILE HD1 H 0.79 0.01 1 233 37 ILE H H 8.41 0.01 1 234 37 ILE HA H 5.26 0.01 1 235 37 ILE HB H 1.91 0.01 1 236 37 ILE HG12 H 1.69 0.01 2 237 37 ILE HG13 H 1.31 0.01 2 238 37 ILE HG2 H 0.90 0.01 1 239 37 ILE HD1 H 0.90 0.01 1 240 38 SER H H 9.37 0.01 1 241 38 SER HA H 5.75 0.01 1 242 38 SER HB2 H 3.74 0.01 2 243 38 SER HB3 H 3.60 0.01 2 244 38 SER HG H 6.25 0.01 1 245 39 GLU H H 9.24 0.01 1 246 39 GLU HA H 5.17 0.01 1 247 39 GLU HB2 H 1.80 0.01 1 248 39 GLU HB3 H 1.80 0.01 1 249 39 GLU HG2 H 2.12 0.01 2 250 39 GLU HG3 H 2.01 0.01 2 251 40 VAL H H 9.22 0.01 1 252 40 VAL HA H 4.64 0.01 1 253 40 VAL HB H 1.95 0.01 1 254 40 VAL HG1 H 0.51 0.01 2 255 40 VAL HG2 H -0.41 0.01 2 256 41 LYS H H 9.07 0.01 1 257 41 LYS HA H 4.55 0.01 1 258 41 LYS HB2 H 1.70 0.01 1 259 41 LYS HB3 H 1.84 0.01 1 260 41 LYS HG2 H 1.31 0.01 2 261 41 LYS HG3 H 1.29 0.01 2 262 41 LYS HD2 H 1.65 0.01 1 263 41 LYS HD3 H 1.65 0.01 1 264 41 LYS HE2 H 2.92 0.01 1 265 41 LYS HE3 H 2.92 0.01 1 266 42 GLN H H 8.19 0.01 1 267 42 GLN HA H 4.22 0.01 1 268 42 GLN HB2 H 1.93 0.01 2 269 42 GLN HB3 H 1.86 0.01 2 270 42 GLN HG2 H 2.25 0.01 2 271 42 GLN HG3 H 2.12 0.01 2 272 42 GLN HE21 H 7.47 0.01 2 273 42 GLN HE22 H 6.93 0.01 2 274 43 ASP H H 8.75 0.01 1 275 43 ASP HA H 4.77 0.01 1 276 43 ASP HB2 H 2.69 0.01 2 277 43 ASP HB3 H 2.38 0.01 2 278 44 GLY H H 8.81 0.01 1 279 44 GLY HA2 H 4.04 0.01 2 280 44 GLY HA3 H 3.62 0.01 2 281 45 GLN H H 8.93 0.01 1 282 45 GLN HA H 4.50 0.01 1 283 45 GLN HB2 H 2.06 0.01 1 284 45 GLN HB3 H 2.06 0.01 1 285 45 GLN HG2 H 2.53 0.01 1 286 45 GLN HG3 H 2.40 0.01 1 287 45 GLN HE21 H 7.47 0.01 2 288 45 GLN HE22 H 6.78 0.01 2 289 46 ASN H H 8.11 0.01 1 290 46 ASN HA H 5.36 0.01 1 291 46 ASN HB2 H 3.03 0.01 1 292 46 ASN HB3 H 2.84 0.01 1 293 46 ASN HD21 H 7.62 0.01 2 294 46 ASN HD22 H 6.86 0.01 2 295 47 PHE H H 9.17 0.01 1 296 47 PHE HA H 5.15 0.01 1 297 47 PHE HB2 H 2.09 0.01 2 298 47 PHE HB3 H 1.62 0.01 2 299 47 PHE HD1 H 6.94 0.01 1 300 47 PHE HD2 H 6.94 0.01 1 301 47 PHE HE1 H 6.94 0.01 1 302 47 PHE HE2 H 6.94 0.01 1 303 47 PHE HZ H 6.93 0.01 1 304 48 THR H H 8.71 0.01 1 305 48 THR HA H 4.88 0.01 1 306 48 THR HB H 3.98 0.01 1 307 48 THR HG2 H 1.20 0.01 1 308 49 TRP H H 9.76 0.01 1 309 49 TRP HA H 5.18 0.01 1 310 49 TRP HB2 H 2.89 0.01 1 311 49 TRP HB3 H 3.65 0.01 1 312 49 TRP HD1 H 6.92 0.01 1 313 49 TRP HE1 H 11.32 0.01 1 314 49 TRP HE3 H 7.37 0.01 1 315 49 TRP HZ2 H 7.36 0.01 1 316 49 TRP HZ3 H 6.40 0.01 1 317 49 TRP HH2 H 6.74 0.01 1 318 50 SER H H 9.72 0.01 1 319 50 SER HA H 6.07 0.01 1 320 50 SER HB2 H 4.00 0.01 1 321 50 SER HB3 H 3.92 0.01 1 322 51 GLN H H 9.02 0.01 1 323 51 GLN HA H 5.25 0.01 1 324 51 GLN HB2 H 2.30 0.01 1 325 51 GLN HB3 H 1.77 0.01 1 326 51 GLN HG2 H 2.52 0.01 2 327 51 GLN HG3 H 2.46 0.01 2 328 51 GLN HE21 H 8.13 0.01 2 329 51 GLN HE22 H 6.62 0.01 2 330 52 GLN H H 9.40 0.01 1 331 52 GLN HA H 4.90 0.01 1 332 52 GLN HB2 H 2.10 0.01 1 333 52 GLN HB3 H 2.10 0.01 1 334 52 GLN HG2 H 2.33 0.01 2 335 52 GLN HG3 H 2.24 0.01 2 336 52 GLN HE21 H 7.32 0.01 2 337 52 GLN HE22 H 6.72 0.01 2 338 53 TYR H H 8.86 0.01 1 339 53 TYR HA H 4.79 0.01 1 340 53 TYR HB2 H 3.04 0.01 1 341 53 TYR HB3 H 3.04 0.01 1 342 53 TYR HD1 H 7.12 0.01 1 343 53 TYR HD2 H 7.12 0.01 1 344 53 TYR HE1 H 6.77 0.01 1 345 53 TYR HE2 H 6.77 0.01 1 346 54 PRO HA H 4.49 0.01 1 347 54 PRO HB2 H 2.48 0.01 2 348 54 PRO HB3 H 2.02 0.01 2 349 54 PRO HG2 H 2.29 0.01 2 350 54 PRO HG3 H 2.16 0.01 2 351 54 PRO HD2 H 3.96 0.01 2 352 54 PRO HD3 H 3.75 0.01 2 353 55 GLY H H 8.86 0.01 1 354 55 GLY HA2 H 4.28 0.01 2 355 55 GLY HA3 H 3.83 0.01 2 356 56 GLY H H 8.26 0.01 1 357 56 GLY HA2 H 4.10 0.01 2 358 56 GLY HA3 H 3.94 0.01 2 359 57 HIS H H 7.75 0.01 1 360 57 HIS HA H 4.86 0.01 1 361 57 HIS HB2 H 3.06 0.01 1 362 57 HIS HB3 H 3.15 0.01 1 363 57 HIS HD2 H 7.11 0.01 1 364 57 HIS HE1 H 8.34 0.01 1 365 58 SER H H 8.45 0.01 1 366 58 SER HA H 5.61 0.01 1 367 58 SER HB2 H 3.84 0.01 2 368 58 SER HB3 H 3.81 0.01 2 369 59 ILE H H 8.86 0.01 1 370 59 ILE HA H 4.60 0.01 1 371 59 ILE HB H 1.92 0.01 1 372 59 ILE HG12 H 1.51 0.01 2 373 59 ILE HG13 H 1.23 0.01 2 374 59 ILE HG2 H 0.97 0.01 1 375 59 ILE HD1 H 0.91 0.01 1 376 60 THR H H 8.78 0.01 1 377 60 THR HA H 5.06 0.01 1 378 60 THR HB H 3.95 0.01 1 379 60 THR HG2 H 1.15 0.01 1 380 61 ASN H H 8.95 0.01 1 381 61 ASN HA H 5.39 0.01 1 382 61 ASN HB2 H 2.80 0.01 1 383 61 ASN HB3 H 2.63 0.01 1 384 62 THR H H 8.84 0.01 1 385 62 THR HA H 5.44 0.01 1 386 62 THR HB H 4.15 0.01 1 387 62 THR HG2 H 1.26 0.01 1 388 63 PHE H H 8.62 0.01 1 389 63 PHE HA H 5.37 0.01 1 390 63 PHE HB2 H 3.25 0.01 2 391 63 PHE HB3 H 3.08 0.01 2 392 63 PHE HD1 H 6.66 0.01 1 393 63 PHE HD2 H 6.66 0.01 1 394 63 PHE HE1 H 6.58 0.01 1 395 63 PHE HE2 H 6.58 0.01 1 396 63 PHE HZ H 6.41 0.01 1 397 64 THR H H 7.47 0.01 1 398 64 THR HA H 5.52 0.01 1 399 64 THR HB H 3.66 0.01 1 400 64 THR HG2 H 1.38 0.01 1 401 65 ILE H H 8.95 0.01 1 402 65 ILE HA H 4.05 0.01 1 403 65 ILE HB H 2.27 0.01 1 404 65 ILE HG12 H 2.14 0.01 1 405 65 ILE HG13 H 1.73 0.01 1 406 65 ILE HG2 H 1.13 0.01 1 407 65 ILE HD1 H 0.77 0.01 1 408 66 GLY H H 9.19 0.01 1 409 66 GLY HA2 H 4.35 0.01 2 410 66 GLY HA3 H 3.68 0.01 2 411 67 LYS H H 7.83 0.01 1 412 67 LYS HA H 4.77 0.01 1 413 67 LYS HB2 H 1.92 0.01 2 414 67 LYS HB3 H 1.82 0.01 2 415 67 LYS HG2 H 1.48 0.01 2 416 67 LYS HG3 H 1.41 0.01 2 417 67 LYS HD2 H 1.78 0.01 2 418 67 LYS HD3 H 1.73 0.01 2 419 67 LYS HE2 H 3.10 0.01 1 420 67 LYS HE3 H 3.10 0.01 1 421 68 GLU H H 8.30 0.01 1 422 68 GLU HA H 4.29 0.01 1 423 68 GLU HB2 H 2.01 0.01 1 424 68 GLU HB3 H 1.91 0.01 1 425 68 GLU HG2 H 2.23 0.01 1 426 68 GLU HG3 H 2.23 0.01 1 427 69 CYS H H 9.07 0.01 1 428 69 CYS HA H 5.29 0.01 1 429 69 CYS HB2 H 2.82 0.01 1 430 69 CYS HB3 H 3.59 0.01 1 431 70 ASP H H 8.60 0.01 1 432 70 ASP HA H 5.01 0.01 1 433 70 ASP HB2 H 2.64 0.01 1 434 70 ASP HB3 H 2.43 0.01 1 435 71 ILE H H 9.08 0.01 1 436 71 ILE HA H 4.31 0.01 1 437 71 ILE HB H 1.43 0.01 1 438 71 ILE HG12 H 1.22 0.01 2 439 71 ILE HG13 H 1.01 0.01 2 440 71 ILE HG2 H 0.56 0.01 1 441 71 ILE HD1 H 0.42 0.01 1 442 72 GLU H H 9.19 0.01 1 443 72 GLU HA H 5.09 0.01 1 444 72 GLU HB2 H 1.98 0.01 2 445 72 GLU HB3 H 1.88 0.01 2 446 72 GLU HG2 H 2.37 0.01 2 447 72 GLU HG3 H 2.13 0.01 2 448 73 THR H H 8.44 0.01 1 449 73 THR HA H 4.73 0.01 1 450 73 THR HB H 4.13 0.01 1 451 73 THR HG2 H 1.35 0.01 1 452 74 ILE H H 8.43 0.01 1 453 74 ILE HA H 3.99 0.01 1 454 74 ILE HB H 1.76 0.01 1 455 74 ILE HG12 H 1.34 0.01 2 456 74 ILE HG13 H 0.99 0.01 2 457 74 ILE HG2 H 0.85 0.01 1 458 74 ILE HD1 H 0.70 0.01 1 459 75 GLY H H 8.27 0.01 1 460 75 GLY HA2 H 3.99 0.01 2 461 75 GLY HA3 H 3.81 0.01 2 462 76 GLY H H 8.16 0.01 1 463 76 GLY HA2 H 4.18 0.01 2 464 76 GLY HA3 H 3.94 0.01 2 465 77 LYS H H 7.11 0.01 1 466 77 LYS HA H 4.26 0.01 1 467 77 LYS HB2 H 1.72 0.01 2 468 77 LYS HB3 H 1.58 0.01 2 469 77 LYS HG2 H 1.29 0.01 2 470 77 LYS HG3 H 1.17 0.01 2 471 77 LYS HD2 H 1.50 0.01 1 472 77 LYS HD3 H 1.50 0.01 1 473 77 LYS HE2 H 2.89 0.01 1 474 77 LYS HE3 H 2.89 0.01 1 475 78 LYS H H 8.03 0.01 1 476 78 LYS HA H 5.22 0.01 1 477 78 LYS HB2 H 1.55 0.01 1 478 78 LYS HB3 H 1.55 0.01 1 479 78 LYS HG2 H 1.35 0.01 2 480 78 LYS HG3 H 1.20 0.01 2 481 78 LYS HD2 H 1.63 0.01 1 482 78 LYS HD3 H 1.63 0.01 1 483 78 LYS HE2 H 2.92 0.01 1 484 78 LYS HE3 H 2.92 0.01 1 485 79 PHE H H 8.50 0.01 1 486 79 PHE HA H 4.90 0.01 1 487 79 PHE HB2 H 2.98 0.01 2 488 79 PHE HB3 H 2.65 0.01 2 489 79 PHE HD1 H 6.95 0.01 1 490 79 PHE HD2 H 6.95 0.01 1 491 79 PHE HE1 H 6.96 0.01 1 492 79 PHE HE2 H 6.96 0.01 1 493 79 PHE HZ H 6.85 0.01 1 494 80 LYS H H 8.44 0.01 1 495 80 LYS HA H 4.96 0.01 1 496 80 LYS HB2 H 1.76 0.01 1 497 80 LYS HB3 H 1.76 0.01 1 498 80 LYS HG2 H 1.39 0.01 1 499 80 LYS HG3 H 1.39 0.01 1 500 80 LYS HD2 H 1.63 0.01 2 501 80 LYS HD3 H 1.54 0.01 2 502 80 LYS HE2 H 2.97 0.01 1 503 80 LYS HE3 H 2.97 0.01 1 504 81 ALA H H 8.95 0.01 1 505 81 ALA HA H 4.82 0.01 1 506 81 ALA HB H 1.13 0.01 1 507 82 THR H H 8.60 0.01 1 508 82 THR HA H 4.84 0.01 1 509 82 THR HB H 4.08 0.01 1 510 82 THR HG2 H 1.01 0.01 1 511 83 VAL HA H 4.67 0.01 1 512 83 VAL HB H 1.79 0.01 1 513 83 VAL HG1 H 0.51 0.01 2 514 83 VAL HG2 H 0.18 0.01 2 515 84 GLN H H 8.93 0.01 1 516 84 GLN HA H 5.02 0.01 1 517 84 GLN HB2 H 1.80 0.01 1 518 84 GLN HB3 H 1.80 0.01 1 519 84 GLN HG2 H 2.36 0.01 2 520 84 GLN HG3 H 2.20 0.01 2 521 84 GLN HE21 H 7.38 0.01 2 522 84 GLN HE22 H 6.83 0.01 2 523 85 MET H H 8.65 0.01 1 524 85 MET HA H 5.60 0.01 1 525 85 MET HB2 H 2.23 0.01 2 526 85 MET HB3 H 1.88 0.01 2 527 85 MET HG2 H 2.59 0.01 2 528 85 MET HG3 H 2.50 0.01 2 529 85 MET HE H 2.24 0.01 1 530 86 GLU H H 8.97 0.01 1 531 86 GLU HA H 4.66 0.01 1 532 86 GLU HB2 H 1.97 0.01 2 533 86 GLU HB3 H 1.87 0.01 2 534 86 GLU HG2 H 2.16 0.01 1 535 86 GLU HG3 H 2.16 0.01 1 536 87 GLY H H 9.15 0.01 1 537 87 GLY HA2 H 3.98 0.01 2 538 87 GLY HA3 H 3.84 0.01 2 539 88 GLY H H 8.75 0.01 1 540 88 GLY HA2 H 4.18 0.01 2 541 88 GLY HA3 H 4.05 0.01 2 542 89 LYS H H 7.96 0.01 1 543 89 LYS HA H 5.19 0.01 1 544 89 LYS HB2 H 1.84 0.01 1 545 89 LYS HB3 H 1.84 0.01 1 546 89 LYS HG2 H 1.47 0.01 2 547 89 LYS HG3 H 1.31 0.01 2 548 89 LYS HD2 H 1.60 0.01 1 549 89 LYS HD3 H 1.60 0.01 1 550 89 LYS HE2 H 2.93 0.01 1 551 89 LYS HE3 H 2.93 0.01 1 552 90 VAL H H 9.03 0.01 1 553 90 VAL HA H 4.45 0.01 1 554 90 VAL HB H 1.71 0.01 1 555 90 VAL HG1 H 0.38 0.01 1 556 90 VAL HG2 H 0.44 0.01 1 557 91 VAL H H 8.85 0.01 1 558 91 VAL HA H 4.67 0.01 1 559 91 VAL HB H 1.73 0.01 1 560 91 VAL HG1 H 0.83 0.01 2 561 91 VAL HG2 H 0.75 0.01 2 562 92 VAL H H 9.09 0.01 1 563 92 VAL HA H 4.38 0.01 1 564 92 VAL HB H 1.93 0.01 1 565 92 VAL HG1 H 0.77 0.01 2 566 92 VAL HG2 H 0.57 0.01 2 567 93 ASN H H 8.86 0.01 1 568 93 ASN HA H 5.49 0.01 1 569 93 ASN HB2 H 2.59 0.01 1 570 93 ASN HB3 H 2.81 0.01 1 571 93 ASN HD21 H 7.72 0.01 2 572 93 ASN HD22 H 7.02 0.01 2 573 94 SER H H 8.60 0.01 1 574 94 SER HA H 5.03 0.01 1 575 94 SER HB2 H 4.15 0.01 2 576 94 SER HB3 H 3.94 0.01 2 577 95 PRO HA H 4.32 0.01 1 578 95 PRO HB2 H 2.40 0.01 2 579 95 PRO HB3 H 1.87 0.01 2 580 95 PRO HG2 H 2.19 0.01 2 581 95 PRO HG3 H 2.03 0.01 2 582 95 PRO HD2 H 3.92 0.01 2 583 95 PRO HD3 H 3.81 0.01 2 584 96 ASN H H 7.88 0.01 1 585 96 ASN HA H 4.68 0.01 1 586 96 ASN HB2 H 2.79 0.01 2 587 96 ASN HB3 H 2.68 0.01 2 588 96 ASN HD21 H 7.65 0.01 2 589 96 ASN HD22 H 6.86 0.01 2 590 97 TYR H H 7.53 0.01 1 591 97 TYR HA H 4.77 0.01 1 592 97 TYR HB2 H 2.55 0.01 2 593 97 TYR HB3 H 2.50 0.01 2 594 97 TYR HD1 H 6.74 0.01 1 595 97 TYR HD2 H 6.74 0.01 1 596 97 TYR HE1 H 6.59 0.01 1 597 97 TYR HE2 H 6.59 0.01 1 598 98 HIS H H 7.83 0.01 1 599 98 HIS HA H 5.39 0.01 1 600 98 HIS HB2 H 3.20 0.01 1 601 98 HIS HB3 H 3.08 0.01 1 602 98 HIS HD2 H 7.34 0.01 1 603 98 HIS HE1 H 8.33 0.01 1 604 99 HIS H H 8.70 0.01 1 605 99 HIS HA H 5.69 0.01 1 606 99 HIS HB2 H 2.86 0.01 2 607 99 HIS HB3 H 2.65 0.01 2 608 99 HIS HD2 H 6.18 0.01 1 609 99 HIS HE1 H 7.59 0.01 1 610 100 THR H H 8.56 0.01 1 611 100 THR HA H 5.44 0.01 1 612 100 THR HB H 3.98 0.01 1 613 100 THR HG2 H 1.05 0.01 1 614 101 ALA H H 8.72 0.01 1 615 101 ALA HA H 5.40 0.01 1 616 101 ALA HB H 1.43 0.01 1 617 102 GLU H H 8.88 0.01 1 618 102 GLU HA H 4.92 0.01 1 619 102 GLU HB2 H 1.97 0.01 2 620 102 GLU HB3 H 1.93 0.01 2 621 102 GLU HG2 H 2.22 0.01 2 622 102 GLU HG3 H 2.15 0.01 2 623 103 ILE H H 8.43 0.01 1 624 103 ILE HA H 5.13 0.01 1 625 103 ILE HB H 1.74 0.01 1 626 103 ILE HG12 H 0.84 0.01 2 627 103 ILE HG13 H 0.52 0.01 2 628 103 ILE HG2 H 0.67 0.01 1 629 103 ILE HD1 H 0.43 0.01 1 630 104 VAL H H 9.14 0.01 1 631 104 VAL HA H 4.22 0.01 1 632 104 VAL HB H 1.88 0.01 1 633 104 VAL HG1 H 0.87 0.01 2 634 104 VAL HG2 H 0.78 0.01 2 635 105 ASP H H 9.35 0.01 1 636 105 ASP HA H 4.29 0.01 1 637 105 ASP HB2 H 3.00 0.01 2 638 105 ASP HB3 H 2.59 0.01 2 639 106 GLY H H 8.00 0.01 1 640 106 GLY HA2 H 3.55 0.01 1 641 106 GLY HA3 H 4.17 0.01 1 642 107 LYS H H 7.81 0.01 1 643 107 LYS HA H 4.81 0.01 1 644 107 LYS HB2 H 1.80 0.01 1 645 107 LYS HB3 H 1.80 0.01 1 646 107 LYS HG2 H 1.51 0.01 1 647 107 LYS HG3 H 1.51 0.01 1 648 107 LYS HD2 H 1.68 0.01 1 649 107 LYS HD3 H 1.68 0.01 1 650 107 LYS HE2 H 3.00 0.01 1 651 107 LYS HE3 H 3.00 0.01 1 652 108 LEU H H 8.35 0.01 1 653 108 LEU HA H 4.61 0.01 1 654 108 LEU HB2 H 1.36 0.01 2 655 108 LEU HB3 H 0.23 0.01 2 656 108 LEU HG H 1.43 0.01 1 657 108 LEU HD1 H 0.88 0.01 2 658 108 LEU HD2 H 0.52 0.01 2 659 109 VAL H H 9.57 0.01 1 660 109 VAL HA H 4.76 0.01 1 661 109 VAL HB H 2.04 0.01 1 662 109 VAL HG1 H 0.80 0.01 1 663 109 VAL HG2 H 0.94 0.01 1 664 110 GLU H H 9.25 0.01 1 665 110 GLU HA H 5.33 0.01 1 666 110 GLU HB2 H 2.01 0.01 2 667 110 GLU HB3 H 1.93 0.01 2 668 110 GLU HG2 H 2.21 0.01 2 669 110 GLU HG3 H 2.12 0.01 2 670 111 VAL H H 8.45 0.01 1 671 111 VAL HA H 4.87 0.01 1 672 111 VAL HB H 1.92 0.01 1 673 111 VAL HG1 H 0.74 0.01 2 674 111 VAL HG2 H 0.72 0.01 2 675 112 SER H H 8.81 0.01 1 676 112 SER HA H 5.63 0.01 1 677 112 SER HB2 H 3.42 0.01 1 678 112 SER HB3 H 4.00 0.01 1 679 113 THR H H 9.44 0.01 1 680 113 THR HA H 5.68 0.01 1 681 113 THR HB H 3.79 0.01 1 682 113 THR HG2 H 1.01 0.01 1 683 114 VAL H H 8.78 0.01 1 684 114 VAL HA H 4.35 0.01 1 685 114 VAL HB H 1.78 0.01 1 686 114 VAL HG1 H 0.85 0.01 1 687 114 VAL HG2 H 1.09 0.01 1 688 115 GLY H H 9.06 0.01 1 689 115 GLY HA2 H 3.93 0.01 2 690 115 GLY HA3 H 3.77 0.01 2 691 116 GLY H H 8.46 0.01 1 692 116 GLY HA2 H 4.13 0.01 2 693 116 GLY HA3 H 3.61 0.01 2 694 117 VAL H H 8.10 0.01 1 695 117 VAL HA H 4.31 0.01 1 696 117 VAL HB H 2.29 0.01 1 697 117 VAL HG1 H 1.01 0.01 2 698 117 VAL HG2 H 0.98 0.01 2 699 118 SER H H 8.76 0.01 1 700 118 SER HA H 5.70 0.01 1 701 118 SER HB2 H 3.62 0.01 2 702 118 SER HB3 H 3.54 0.01 2 703 119 TYR H H 9.11 0.01 1 704 119 TYR HA H 5.19 0.01 1 705 119 TYR HB2 H 2.55 0.01 2 706 119 TYR HB3 H 1.59 0.01 2 707 119 TYR HD1 H 6.79 0.01 1 708 119 TYR HD2 H 6.79 0.01 1 709 119 TYR HE1 H 6.79 0.01 1 710 119 TYR HE2 H 6.79 0.01 1 711 120 GLU H H 8.04 0.01 1 712 120 GLU HA H 5.11 0.01 1 713 120 GLU HB2 H 1.86 0.01 2 714 120 GLU HB3 H 1.84 0.01 2 715 120 GLU HG2 H 2.01 0.01 1 716 120 GLU HG3 H 2.01 0.01 1 717 121 ARG H H 9.09 0.01 1 718 121 ARG HA H 5.05 0.01 1 719 121 ARG HB2 H 1.82 0.01 1 720 121 ARG HB3 H 1.82 0.01 1 721 121 ARG HG2 H 1.57 0.01 1 722 121 ARG HG3 H 1.57 0.01 1 723 121 ARG HD2 H 3.10 0.01 1 724 121 ARG HD3 H 3.10 0.01 1 725 121 ARG HE H 7.29 0.01 1 726 122 VAL H H 8.87 0.01 1 727 122 VAL HA H 5.01 0.01 1 728 122 VAL HB H 2.18 0.01 1 729 122 VAL HG1 H 0.93 0.01 1 730 122 VAL HG2 H 0.93 0.01 1 731 123 SER H H 9.70 0.01 1 732 123 SER HA H 5.39 0.01 1 733 123 SER HB2 H 3.82 0.01 2 734 123 SER HB3 H 3.74 0.01 2 735 123 SER HG H 7.44 0.01 1 736 124 LYS H H 8.75 0.01 1 737 124 LYS HA H 4.64 0.01 1 738 124 LYS HB2 H 2.04 0.01 2 739 124 LYS HB3 H 1.98 0.01 2 740 124 LYS HG2 H 1.37 0.01 1 741 124 LYS HG3 H 1.37 0.01 1 742 124 LYS HD2 H 1.78 0.01 2 743 124 LYS HD3 H 1.65 0.01 2 744 124 LYS HE2 H 3.04 0.01 2 745 124 LYS HE3 H 2.98 0.01 2 746 125 LYS H H 9.06 0.01 1 747 125 LYS HA H 4.30 0.01 1 748 125 LYS HB2 H 1.91 0.01 1 749 125 LYS HB3 H 1.91 0.01 1 750 125 LYS HG2 H 1.20 0.01 2 751 125 LYS HG3 H 0.98 0.01 2 752 125 LYS HD2 H 1.71 0.01 1 753 125 LYS HD3 H 1.71 0.01 1 754 125 LYS HE2 H 3.01 0.01 2 755 125 LYS HE3 H 2.96 0.01 2 756 126 LEU H H 9.17 0.01 1 757 126 LEU HA H 4.37 0.01 1 758 126 LEU HB2 H 1.39 0.01 2 759 126 LEU HB3 H 1.37 0.01 2 760 126 LEU HG H 1.58 0.01 1 761 126 LEU HD1 H 0.86 0.01 1 762 126 LEU HD2 H 0.86 0.01 1 763 127 ALA H H 7.86 0.01 1 764 127 ALA HA H 4.07 0.01 1 765 127 ALA HB H 1.30 0.01 1 stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref1 _Saveframe_category citation _MEDLINE_UI_code 89008259 save_