data_4110 #Corrected using PDB structure: 1QU6A # #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 # 30 L HA 5.21 4.18 # 51 I HA 5.27 4.14 # 52 I HA 5.05 3.97 # 54 G HA 3.83 5.13 # 64 S HA 4.69 2.00 # 97 S HA 4.29 3.35 #101 L HA 4.30 3.56 #102 S HA 4.56 3.36 #105 N HA 4.73 3.79 #106 Y HA 3.80 4.58 #121 V HA 4.96 3.99 #140 C HA 4.26 5.26 #160 Q HA 4.12 3.16 #164 K HA 3.32 4.29 #176 G HA 4.06 5.22 # #After reference correction, the following residues still #have a CA chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 65 K CA 61.36 55.20 #106 Y CA 62.58 57.45 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 14 F CB 39.51 45.24 # 64 S CB 66.40 60.66 # 96 N CB 38.83 45.78 #106 Y CB 38.10 43.20 #140 C CB 28.58 35.47 # #After reference correction, the following residues still #have a N chemical shift difference (obs*-pred) greater than 10.0ppm: #NUM AA CS Observed* Predicted # 8 G N 107.81 118.63 # 14 F N 121.63 131.86 # 15 F N 116.11 127.61 # 34 E N 130.47 118.13 # 53 D N 131.18 116.82 # 54 G N 103.36 122.50 #125 Q N 128.86 114.23 #129 G N 108.26 119.22 #176 G N 111.08 127.07 # #After reference correction, the following residues still #have a HN chemical shift difference (obs*-pred) greater than 2.0ppm: #NUM AA CS Observed* Predicted #135 G H 7.97 5.38 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.01 -0.08 -0.08 N/A -2.62 -0.13 # #bmr4110.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr4110.str file): #HA CA CB CO N HN #N/A -0.08 -0.08 N/A -2.62 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.03 +/-0.12 +/-0.16 N/A +/-0.40 +/-0.06 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.572 0.962 0.990 N/A 0.562 0.326 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.176 0.791 0.963 N/A 2.502 0.377 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N Resonance Assignment of the 20 KDa Double Stranded RNA Binding Domain of PKR ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nanduri Sambasivarao . . 2 Carpick Bruce . . 3 Yang Yan W. . 4 Williams Bryan R.G. . 5 Qin Jun . . stop_ _BMRB_accession_number 4110 _BMRB_flat_file_name bmr4110.str _Entry_type new _Submission_date 1998-02-19 _Accession_date 1998-02-20 _Entry_origination author _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' 1013 '13C chemical shifts' 577 '15N chemical shifts' 176 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Nanduri, S., Carpick, B., Yang, Y.W., Williams, B.R.G., and Qin, J. "1H, 13C, 15N Resonance Assignment of the 20 KDa Double Stranded RNA Binding Domain of PKR," J. Biomol. NMR 12, 349-351 (1998). ; _Citation_title ; 1H, 13C, 15N Resonance Assignment of the 20 KDa Double Stranded RNA Binding Domain of PKR ; _Citation_status published _Citation_type journal _MEDLINE_UI_code 98424558 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nanduri Sambasivarao . . 2 Carpick Bruce . . 3 Yang Yan W. . 4 Williams Bryan R.G. . 5 Qin Jun . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 12 _Page_first 349 _Page_last 351 _Year 1998 loop_ _Keyword 'dsRNA binding domain' PKR 'resonance assignments' NMR stop_ save_ ################################## # Molecular system description # ################################## save_system_dsRBD-PKR _Saveframe_category molecular_system _Mol_system_name 'double stranded RNA binding domain of PKR' _Abbreviation_common dsRBD-PKR loop_ _Mol_system_component_name _Mol_label dsRBD-PKR $dsRBD-PKR stop_ _System_molecular_weight 20000 _System_physical_state native _System_oligomer_state monomer _System_type simple _System_paramagnetic no loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1QU6 "A Chain A, Structure Of The Double-Stranded Rna-Binding Domain Of The Protein Kinase Pkr Reveals The Molecular Basis Of Its Dsrna Mediated Activation" . stop_ save_ ######################## # Monomeric polymers # ######################## save_dsRBD-PKR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'double stranded RNA binding domain of PKR' _Abbreviation_common dsRBD-PKR _Molecular_mass 20000 ############################## # Polymer residue sequence # ############################## _Residue_count 179 _Mol_residue_sequence ; GSHMEMAGDLSAGFFMEELN TRYQKQGVVLKYQELPNSGP PHDRRFTFQVIIDGREFPEG EGRSKKEAKNAAAKLAVEIL NKEKKAVSPLLLTTTNSSEG LSMGNYIGLINRIAQKKRLT VNYEQCASGVHGPEGFHYKC KMGQKEYSIGTGSTKQEAKQ LAAKLAYLQILSEETGSGC ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 GLU 6 MET 7 ALA 8 GLY 9 ASP 10 LEU 11 SER 12 ALA 13 GLY 14 PHE 15 PHE 16 MET 17 GLU 18 GLU 19 LEU 20 ASN 21 THR 22 ARG 23 TYR 24 GLN 25 LYS 26 GLN 27 GLY 28 VAL 29 VAL 30 LEU 31 LYS 32 TYR 33 GLN 34 GLU 35 LEU 36 PRO 37 ASN 38 SER 39 GLY 40 PRO 41 PRO 42 HIS 43 ASP 44 ARG 45 ARG 46 PHE 47 THR 48 PHE 49 GLN 50 VAL 51 ILE 52 ILE 53 ASP 54 GLY 55 ARG 56 GLU 57 PHE 58 PRO 59 GLU 60 GLY 61 GLU 62 GLY 63 ARG 64 SER 65 LYS 66 LYS 67 GLU 68 ALA 69 LYS 70 ASN 71 ALA 72 ALA 73 ALA 74 LYS 75 LEU 76 ALA 77 VAL 78 GLU 79 ILE 80 LEU 81 ASN 82 LYS 83 GLU 84 LYS 85 LYS 86 ALA 87 VAL 88 SER 89 PRO 90 LEU 91 LEU 92 LEU 93 THR 94 THR 95 THR 96 ASN 97 SER 98 SER 99 GLU 100 GLY 101 LEU 102 SER 103 MET 104 GLY 105 ASN 106 TYR 107 ILE 108 GLY 109 LEU 110 ILE 111 ASN 112 ARG 113 ILE 114 ALA 115 GLN 116 LYS 117 LYS 118 ARG 119 LEU 120 THR 121 VAL 122 ASN 123 TYR 124 GLU 125 GLN 126 CYS 127 ALA 128 SER 129 GLY 130 VAL 131 HIS 132 GLY 133 PRO 134 GLU 135 GLY 136 PHE 137 HIS 138 TYR 139 LYS 140 CYS 141 LYS 142 MET 143 GLY 144 GLN 145 LYS 146 GLU 147 TYR 148 SER 149 ILE 150 GLY 151 THR 152 GLY 153 SER 154 THR 155 LYS 156 GLN 157 GLU 158 ALA 159 LYS 160 GLN 161 LEU 162 ALA 163 ALA 164 LYS 165 LEU 166 ALA 167 TYR 168 LEU 169 GLN 170 ILE 171 LEU 172 SER 173 GLU 174 GLU 175 THR 176 GLY 177 SER 178 GLY 179 CYS stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-06-17 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 1QU6 "A Chain A, Structure Of The Double-StrandedRna-Binding Domain Of The Protein Kinase Pkr Reveals TheMolecular Basis Of Its Dsrna Mediated Activation" 100.00 179 99 99 7e-97 GenBank AAH40851.1 "Similar to protein kinase,interferon-inducible double stranded RNA dependent [Homosapiens]" 34.89 513 99 99 1e-90 GenBank AAH57805.1 "PRKR protein [Homo sapiens]" 34.89 513 99 99 1e-90 GenBank AAA18253.1 "P1/eIF-2a protein kinase" 32.49 551 99 99 1e-90 GenBank AAA36409.1 "p68 kinase" 32.49 551 99 99 1e-90 GenBank AAC50768.1 "interferon-inducible RNA-dependentprotein kinase [Homo sapiens]" 32.49 551 99 99 1e-90 PIR JC5225 "dsRNA-activated protein kinase (EC 2.7.1.-)- human" 32.49 551 99 99 1e-90 REF NP_002750.1 "protein kinase, interferon-inducibledouble stranded RNA dependent; interferon-inducibleelF2alpha kinase [Homo sapiens]" 32.49 551 99 99 1e-90 SWISS-PROT P19525 "E2K2_HUMAN Interferon-induced, double-strandedRNA-activated protein kinase (Interferon-inducibleRNA-dependent protein kinase) (p68 kinase) (P1/eIF-2Aprotein kinase)" 32.49 551 99 99 1e-90 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 $dsRBD-PKR Human 9606 Eukaryota Metazoa Homo sapiens . stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $dsRBD-PKR 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3)plysS plasmid pET-15B 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 $dsRBD-PKR .9 mM '[U-15N]' NaCl 100 mM . 'sodium phosphate' 20 mM . DTT 1 mM . H2O 93 % . D2O 7 % . stop_ save_ save_sample_two _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $dsRBD-PKR .9 mM '[U-15N;U-13C]' NaCl 100 mM . 'sodium phosphate' 20 mM . DTT 1 mM . H2O 93 % . D2O 7 % . stop_ save_ ############################ # Computer software used # ############################ save_software_nmrPipe _Saveframe_category software _Name nmrPipe _Version . loop_ _Task 'used for all data processing' stop_ loop_ _Platform_vendor Sun UltraSPARC stop_ _Citation_label $citation_one save_ save_software_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Task 'analysis of processed spectra' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 500 save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.05 n/a temperature 25 ? C stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _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 _Indirect_shift_ratio H2O H 1 proton ppm 4.77 . . . 'sodium acetate' C 13 methyl ppm 25.85 . . . 'ammonium chloride' N 15 ammonium ppm 78.98 . . . 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_one _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_one $sample_two stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name dsRBD-PKR 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 4 MET H H 8.32 . 1 2 4 MET HA H 4.43 . 1 3 4 MET HB2 H 2.47 . 2 4 4 MET HB3 H 2.05 . 2 5 4 MET CA C 55.54 . 1 6 4 MET CB C 32.71 . 1 7 4 MET N N 121.43 . 1 8 5 GLU H H 8.44 . 1 9 5 GLU HA H 4.26 . 1 10 5 GLU HB2 H 1.96 . 1 11 5 GLU HB3 H 1.96 . 1 12 5 GLU HG2 H 2.27 . 1 13 5 GLU HG3 H 2.27 . 1 14 5 GLU CA C 56.59 . 1 16 5 GLU CG C 36.16 . 1 17 5 GLU N N 122.18 . 1 18 6 MET H H 8.39 . 1 19 6 MET HA H 4.48 . 1 20 6 MET HB2 H 2.58 . 2 21 6 MET HB3 H 2.53 . 2 22 6 MET HG2 H 2.00 . 2 23 6 MET HG3 H 2.10 . 2 24 6 MET CA C 55.20 . 1 25 6 MET CB C 32.00 . 1 26 6 MET CG C 32.70 . 1 27 6 MET N N 121.24 . 1 28 7 ALA H H 8.30 . 1 29 7 ALA HA H 4.30 . 1 30 7 ALA HB H 1.39 . 1 31 7 ALA CA C 52.66 . 1 32 7 ALA CB C 19.16 . 1 33 7 ALA N N 124.92 . 1 34 8 GLY H H 8.31 . 1 35 8 GLY HA2 H 3.91 . 1 36 8 GLY HA3 H 3.91 . 1 37 8 GLY CA C 45.25 . 1 38 8 GLY N N 107.81 . 1 39 9 ASP H H 8.16 . 1 40 9 ASP HA H 4.54 . 1 41 9 ASP HB2 H 2.67 . 2 42 9 ASP HB3 H 2.63 . 2 43 9 ASP CA C 54.21 . 1 44 9 ASP CB C 40.95 . 1 45 9 ASP N N 120.14 . 1 46 10 LEU H H 8.27 . 1 47 10 LEU HA H 4.29 . 1 48 10 LEU HB2 H 1.60 . 2 49 10 LEU HB3 H 1.67 . 2 50 10 LEU HD1 H 0.87 . 2 51 10 LEU HD2 H 0.79 . 2 52 10 LEU CA C 55.45 . 1 54 10 LEU CD1 C 24.86 . 2 55 10 LEU CD2 C 23.04 . 2 56 10 LEU N N 122.75 . 1 57 11 SER H H 8.23 . 1 58 11 SER HA H 4.29 . 1 59 11 SER HB2 H 3.90 . 1 60 11 SER HB3 H 3.90 . 1 61 11 SER CA C 58.90 . 1 62 11 SER CB C 63.61 . 1 63 11 SER N N 115.48 . 1 64 12 ALA H H 8.19 . 1 65 12 ALA HA H 4.28 . 1 66 12 ALA HB H 1.39 . 1 67 12 ALA CA C 52.93 . 1 68 12 ALA CB C 19.03 . 1 69 12 ALA N N 125.22 . 1 70 13 GLY H H 7.95 . 1 71 13 GLY HA2 H 3.85 . 2 72 13 GLY HA3 H 4.08 . 2 73 13 GLY CA C 45.30 . 1 74 13 GLY N N 106.13 . 1 75 14 PHE H H 8.02 . 1 76 14 PHE HA H 4.13 . 1 77 14 PHE HB2 H 2.59 . 2 78 14 PHE HB3 H 3.11 . 2 79 14 PHE HD1 H 6.84 . 1 80 14 PHE HD2 H 6.84 . 1 81 14 PHE HE1 H 6.84 . 1 82 14 PHE HE2 H 6.84 . 1 83 14 PHE HZ H 6.84 . 1 84 14 PHE CA C 61.21 . 1 85 14 PHE CB C 39.51 . 1 86 14 PHE CD1 C 132.05 . 2 87 14 PHE CD2 C 132.05 . 2 88 14 PHE CE1 C 132.05 . 2 89 14 PHE CE2 C 132.05 . 2 90 14 PHE CZ C 132.05 . 2 91 14 PHE N N 121.63 . 1 92 15 PHE H H 8.33 . 1 93 15 PHE HA H 3.99 . 1 94 15 PHE HB2 H 3.10 . 2 95 15 PHE HB3 H 2.80 . 2 96 15 PHE HD1 H 7.37 . 1 97 15 PHE HD2 H 7.37 . 1 98 15 PHE HE1 H 7.37 . 1 99 15 PHE HE2 H 7.37 . 1 100 15 PHE HZ H 7.37 . 1 101 15 PHE CA C 62.25 . 1 102 15 PHE CB C 38.26 . 1 103 15 PHE CD1 C 130.99 . 2 104 15 PHE CD2 C 130.99 . 2 105 15 PHE CE1 C 130.99 . 2 106 15 PHE CE2 C 130.99 . 2 107 15 PHE N N 116.11 . 1 108 16 MET H H 7.16 . 1 109 16 MET HA H 3.93 . 1 110 16 MET HB2 H 2.30 . 2 111 16 MET HB3 H 2.35 . 2 112 16 MET HG2 H 2.05 . 2 113 16 MET HG3 H 2.55 . 2 114 16 MET CA C 59.32 . 1 115 16 MET CB C 37.05 . 1 116 16 MET CG C 30.78 . 1 117 16 MET N N 118.78 . 1 118 17 GLU H H 8.04 . 1 119 17 GLU HA H 4.14 . 1 120 17 GLU HB2 H 1.97 . 1 121 17 GLU HB3 H 1.97 . 1 122 17 GLU HG2 H 2.23 . 1 123 17 GLU HG3 H 2.23 . 1 124 17 GLU CA C 58.98 . 1 125 17 GLU CB C 28.41 . 1 126 17 GLU CG C 35.74 . 1 127 17 GLU N N 121.17 . 1 128 18 GLU H H 7.91 . 1 129 18 GLU HA H 3.99 . 1 130 18 GLU HB2 H 1.99 . 1 131 18 GLU HB3 H 1.99 . 1 132 18 GLU HG2 H 1.83 . 1 133 18 GLU HG3 H 1.83 . 1 134 18 GLU CA C 59.03 . 1 135 18 GLU CB C 29.31 . 1 136 18 GLU CG C 35.74 . 1 137 18 GLU N N 120.76 . 1 138 19 LEU H H 7.94 . 1 139 19 LEU HA H 4.25 . 1 140 19 LEU HB2 H 1.78 . 1 141 19 LEU HB3 H 1.78 . 1 142 19 LEU HG H 1.61 . 1 143 19 LEU HD1 H 1.08 . 2 144 19 LEU HD2 H 1.18 . 2 145 19 LEU CA C 57.57 . 1 146 19 LEU CB C 41.06 . 1 147 19 LEU CG C 28.82 . 1 148 19 LEU CD1 C 23.91 . 2 149 19 LEU CD2 C 25.14 . 2 150 19 LEU N N 119.21 . 1 151 20 ASN H H 8.10 . 1 152 20 ASN HA H 4.51 . 1 153 20 ASN HB2 H 3.03 . 2 154 20 ASN HB3 H 2.90 . 2 155 20 ASN HD21 H 7.72 . 2 156 20 ASN HD22 H 6.90 . 2 157 20 ASN CA C 56.15 . 1 158 20 ASN CB C 38.15 . 1 159 20 ASN N N 119.37 . 1 160 20 ASN ND2 N 115.72 . 1 161 21 THR H H 8.31 . 1 162 21 THR HA H 3.98 . 1 163 21 THR HB H 4.30 . 1 164 21 THR HG2 H 1.26 . 1 165 21 THR CA C 66.54 . 1 166 21 THR CB C 68.30 . 1 167 21 THR CG2 C 21.60 . 1 168 21 THR N N 117.98 . 1 169 22 ARG H H 8.65 . 1 170 22 ARG HA H 3.85 . 1 171 22 ARG HB2 H 1.96 . 2 172 22 ARG HB3 H 2.11 . 2 173 22 ARG HG2 H 1.80 . 1 174 22 ARG HG3 H 1.80 . 1 175 22 ARG HD2 H 3.37 . 2 176 22 ARG HD3 H 3.25 . 2 177 22 ARG CA C 59.10 . 1 178 22 ARG CB C 28.71 . 1 179 22 ARG CG C 25.74 . 1 180 22 ARG CD C 43.66 . 1 181 22 ARG N N 118.77 . 1 182 23 TYR H H 7.96 . 1 183 23 TYR HA H 4.16 . 1 184 23 TYR HB2 H 3.16 . 1 185 23 TYR HB3 H 3.16 . 1 186 23 TYR HD1 H 6.92 . 1 187 23 TYR HD2 H 6.92 . 1 188 23 TYR HE1 H 6.76 . 1 189 23 TYR HE2 H 6.76 . 1 190 23 TYR CA C 61.59 . 1 191 23 TYR CB C 38.31 . 1 192 23 TYR CD1 C 131.76 . 1 193 23 TYR CD2 C 131.76 . 1 194 23 TYR CE1 C 118.05 . 1 195 23 TYR CE2 C 118.05 . 1 196 23 TYR N N 123.28 . 1 197 24 GLN H H 7.86 . 1 198 24 GLN HA H 4.07 . 1 199 24 GLN HB2 H 2.22 . 1 200 24 GLN HB3 H 2.22 . 1 201 24 GLN HG2 H 2.54 . 2 202 24 GLN HG3 H 2.35 . 2 203 24 GLN HE21 H 7.20 . 2 204 24 GLN HE22 H 6.89 . 2 205 24 GLN CA C 58.36 . 1 207 24 GLN CG C 33.97 . 1 208 24 GLN N N 118.40 . 1 209 24 GLN NE2 N 114.06 . 1 210 25 LYS H H 8.16 . 1 211 25 LYS HA H 4.12 . 1 212 25 LYS HB2 H 1.89 . 2 213 25 LYS HB3 H 1.56 . 2 214 25 LYS HG2 H 1.56 . 1 215 25 LYS HG3 H 1.56 . 1 216 25 LYS HD2 H 1.64 . 1 217 25 LYS CA C 58.34 . 1 218 25 LYS CB C 32.73 . 1 219 25 LYS CG C 24.82 . 1 220 25 LYS CD C 28.74 . 1 221 25 LYS CE C 42.05 . 1 222 25 LYS N N 118.52 . 1 223 26 GLN H H 8.23 . 1 224 26 GLN HA H 4.24 . 1 225 26 GLN HB2 H 1.44 . 2 226 26 GLN HB3 H 1.96 . 2 227 26 GLN HG2 H 1.84 . 1 228 26 GLN HG3 H 1.84 . 1 229 26 GLN HE21 H 7.20 . 2 230 26 GLN HE22 H 6.79 . 2 231 26 GLN CA C 55.22 . 1 232 26 GLN CB C 29.56 . 1 233 26 GLN CG C 33.11 . 1 234 26 GLN N N 114.29 . 1 235 26 GLN NE2 N 113.80 . 1 236 27 GLY H H 7.91 . 1 237 27 GLY HA2 H 3.92 . 2 238 27 GLY HA3 H 3.91 . 2 239 27 GLY CA C 46.79 . 1 240 27 GLY N N 108.99 . 1 241 28 VAL H H 6.79 . 1 242 28 VAL HA H 4.69 . 1 243 28 VAL HB H 2.12 . 1 244 28 VAL HG1 H 0.83 . 2 245 28 VAL HG2 H 0.70 . 2 246 28 VAL CA C 58.97 . 1 247 28 VAL CB C 33.77 . 1 248 28 VAL CG1 C 21.35 . 2 249 28 VAL CG2 C 18.81 . 2 250 28 VAL N N 109.50 . 1 251 29 VAL H H 8.91 . 1 252 29 VAL HA H 4.07 . 1 253 29 VAL HB H 2.13 . 1 254 29 VAL HG1 H 1.02 . 2 255 29 VAL HG2 H 0.91 . 2 256 29 VAL CA C 62.81 . 1 257 29 VAL CB C 31.89 . 1 258 29 VAL CG1 C 21.18 . 2 259 29 VAL CG2 C 21.13 . 2 260 29 VAL N N 123.07 . 1 261 30 LEU H H 8.41 . 1 262 30 LEU HA H 5.22 . 1 263 30 LEU HB2 H 1.63 . 2 264 30 LEU HB3 H 1.21 . 2 265 30 LEU HG H 1.35 . 1 266 30 LEU HD1 H 0.70 . 1 267 30 LEU HD2 H 0.70 . 1 268 30 LEU CA C 53.67 . 1 269 30 LEU CB C 46.09 . 1 270 30 LEU CG C 27.53 . 1 271 30 LEU CD1 C 26.03 . 1 272 30 LEU CD2 C 26.03 . 1 273 30 LEU N N 130.58 . 1 274 31 LYS H H 9.13 . 1 275 31 LYS HA H 4.77 . 1 276 31 LYS HB2 H 1.85 . 2 277 31 LYS HB3 H 1.75 . 2 278 31 LYS HG2 H 1.33 . 1 279 31 LYS HG3 H 1.33 . 1 280 31 LYS HD2 H 1.70 . 1 281 31 LYS HD3 H 1.70 . 1 282 31 LYS HE2 H 2.94 . 1 283 31 LYS HE3 H 2.94 . 1 284 31 LYS CA C 54.54 . 1 285 31 LYS CB C 36.60 . 1 286 31 LYS CG C 24.48 . 1 287 31 LYS CD C 29.12 . 1 288 31 LYS CE C 42.02 . 1 289 31 LYS N N 126.30 . 1 290 32 TYR H H 8.82 . 1 291 32 TYR HA H 4.88 . 1 292 32 TYR HB2 H 2.63 . 2 293 32 TYR HB3 H 3.09 . 2 294 32 TYR HD1 H 6.84 . 1 295 32 TYR HD2 H 6.84 . 1 296 32 TYR HE1 H 6.65 . 1 297 32 TYR HE2 H 6.65 . 1 298 32 TYR CA C 57.58 . 1 299 32 TYR CB C 39.36 . 1 300 32 TYR CD1 C 131.79 . 1 301 32 TYR CD2 C 131.79 . 1 302 32 TYR CE1 C 118.00 . 1 303 32 TYR CE2 C 118.00 . 1 304 32 TYR N N 120.94 . 1 305 33 GLN H H 9.44 . 1 306 33 GLN HA H 4.69 . 1 307 33 GLN HB2 H 1.91 . 1 308 33 GLN HB3 H 1.91 . 1 309 33 GLN HG2 H 2.34 . 2 310 33 GLN HG3 H 2.11 . 2 311 33 GLN HE21 H 7.66 . 2 312 33 GLN HE22 H 6.93 . 2 313 33 GLN CA C 54.14 . 1 314 33 GLN CB C 31.35 . 1 315 33 GLN CG C 33.50 . 1 317 33 GLN NE2 N 116.01 . 1 318 34 GLU H H 8.88 . 1 319 34 GLU HA H 3.53 . 1 320 34 GLU HB2 H 1.53 . 2 321 34 GLU HB3 H 1.64 . 2 322 34 GLU HG2 H 2.23 . 1 323 34 GLU HG3 H 2.23 . 1 324 34 GLU CA C 56.12 . 1 325 34 GLU CB C 29.72 . 1 326 34 GLU CG C 36.19 . 1 327 34 GLU N N 130.47 . 1 328 35 LEU H H 8.24 . 1 329 35 LEU HA H 4.75 . 1 330 35 LEU HB2 H 1.57 . 2 331 35 LEU HB3 H 1.19 . 2 332 35 LEU HG H 1.62 . 1 333 35 LEU HD1 H 0.89 . 2 334 35 LEU HD2 H 0.80 . 2 335 35 LEU CA C 52.46 . 1 336 35 LEU CB C 41.21 . 1 337 35 LEU CG C 27.02 . 1 338 35 LEU CD1 C 24.80 . 2 339 35 LEU CD2 C 22.76 . 2 340 35 LEU N N 130.36 . 1 341 36 PRO HA H 4.31 . 1 342 36 PRO HB2 H 2.28 . 1 343 36 PRO HB3 H 2.28 . 1 344 36 PRO HG2 H 2.33 . 2 345 36 PRO HG3 H 1.94 . 2 346 36 PRO HD2 H 3.81 . 2 347 36 PRO HD3 H 3.89 . 2 348 36 PRO CA C 62.37 . 1 350 36 PRO CG C 27.69 . 1 351 36 PRO CD C 50.45 . 1 352 37 ASN H H 8.57 . 1 353 37 ASN HA H 4.75 . 1 354 37 ASN HB2 H 2.59 . 2 355 37 ASN HB3 H 2.69 . 2 359 38 SER H H 8.57 . 1 360 38 SER HA H 4.67 . 1 361 38 SER HB2 H 3.73 . 2 362 38 SER HB3 H 3.83 . 2 363 38 SER CA C 57.21 . 1 364 38 SER CB C 65.07 . 1 366 39 GLY H H 8.28 . 1 367 39 GLY HA2 H 4.32 . 2 368 39 GLY HA3 H 3.93 . 2 369 39 GLY CA C 44.16 . 1 370 39 GLY N N 108.99 . 1 371 41 PRO HA H 4.05 . 1 372 41 PRO HB2 H 2.34 . 2 373 41 PRO HB3 H 1.94 . 2 374 41 PRO HG2 H 2.15 . 2 375 41 PRO HG3 H 2.04 . 2 376 41 PRO HD2 H 3.83 . 2 377 41 PRO HD3 H 3.74 . 2 378 41 PRO CA C 65.19 . 1 379 41 PRO CB C 31.77 . 1 380 41 PRO CG C 27.59 . 1 381 41 PRO CD C 50.08 . 1 382 42 HIS H H 7.56 . 1 383 42 HIS HA H 4.65 . 1 384 42 HIS HB2 H 3.00 . 2 385 42 HIS HB3 H 3.33 . 2 386 42 HIS HD2 H 7.13 . 1 387 42 HIS CA C 55.74 . 1 388 42 HIS CB C 30.02 . 1 389 42 HIS CD2 C 119.11 . 1 390 42 HIS N N 111.05 . 1 391 43 ASP H H 7.66 . 1 392 43 ASP HA H 4.75 . 1 393 43 ASP HB2 H 2.20 . 2 394 43 ASP HB3 H 2.31 . 2 395 43 ASP CA C 53.16 . 1 396 43 ASP CB C 40.47 . 1 397 43 ASP N N 123.89 . 1 398 44 ARG H H 8.02 . 1 399 44 ARG HA H 4.28 . 1 400 44 ARG HB2 H 1.65 . 2 401 44 ARG HB3 H 1.52 . 2 402 44 ARG HG2 H 1.44 . 1 403 44 ARG HG3 H 1.44 . 1 404 44 ARG HD2 H 2.87 . 1 405 44 ARG HD3 H 2.87 . 1 406 44 ARG CA C 55.50 . 1 407 44 ARG CB C 30.41 . 1 408 44 ARG CG C 26.08 . 1 409 44 ARG CD C 43.14 . 1 410 44 ARG N N 121.18 . 1 411 45 ARG H H 8.65 . 1 412 45 ARG HA H 4.62 . 1 413 45 ARG HB2 H 1.73 . 2 414 45 ARG HB3 H 1.58 . 2 415 45 ARG HG2 H 1.51 . 2 416 45 ARG HG3 H 1.41 . 2 417 45 ARG HD2 H 3.04 . 1 418 45 ARG CA C 54.11 . 1 419 45 ARG CB C 32.19 . 1 420 45 ARG CG C 27.20 . 1 421 45 ARG CD C 42.97 . 1 422 45 ARG N N 121.64 . 1 423 46 PHE H H 8.63 . 1 424 46 PHE HA H 4.85 . 1 425 46 PHE HB2 H 2.55 . 2 426 46 PHE HB3 H 2.99 . 2 427 46 PHE HD1 H 7.10 . 1 428 46 PHE HD2 H 7.10 . 1 429 46 PHE HE1 H 7.40 . 1 430 46 PHE HE2 H 7.40 . 1 431 46 PHE CA C 57.15 . 1 432 46 PHE CB C 42.12 . 1 433 46 PHE CD1 C 131.75 . 1 434 46 PHE CD2 C 131.75 . 1 435 46 PHE CE1 C 131.83 . 1 436 46 PHE CE2 C 131.83 . 1 437 46 PHE N N 119.67 . 1 438 47 THR H H 9.05 . 1 439 47 THR HA H 5.50 . 1 440 47 THR HB H 3.75 . 1 441 47 THR HG2 H 1.17 . 1 442 47 THR CA C 61.31 . 1 443 47 THR CB C 70.54 . 1 444 47 THR CG2 C 22.80 . 1 445 47 THR N N 116.42 . 1 446 48 PHE H H 9.23 . 1 447 48 PHE HA H 5.61 . 1 448 48 PHE HB2 H 2.76 . 2 449 48 PHE HB3 H 2.71 . 2 450 48 PHE HD1 H 7.03 . 1 451 48 PHE HD2 H 7.03 . 1 452 48 PHE HE1 H 7.03 . 1 453 48 PHE HE2 H 7.03 . 1 454 48 PHE HZ H 7.03 . 1 455 48 PHE CA C 55.79 . 1 456 48 PHE CB C 46.32 . 1 457 48 PHE CD1 C 131.64 . 1 458 48 PHE CD2 C 131.64 . 1 459 48 PHE CE1 C 131.64 . 1 460 48 PHE CE2 C 131.64 . 1 461 48 PHE CZ C 131.64 . 1 462 48 PHE N N 124.17 . 1 463 49 GLN H H 9.09 . 1 464 49 GLN HA H 4.92 . 1 465 49 GLN HB2 H 1.94 . 1 466 49 GLN HB3 H 1.94 . 1 467 49 GLN HG2 H 2.22 . 2 468 49 GLN HG3 H 2.31 . 2 469 49 GLN HE21 H 7.76 . 2 470 49 GLN HE22 H 6.85 . 2 471 49 GLN CA C 54.46 . 1 472 49 GLN CB C 33.25 . 1 473 49 GLN CG C 34.02 . 1 474 49 GLN N N 115.49 . 1 475 49 GLN NE2 N 112.11 . 1 476 50 VAL H H 8.99 . 1 477 50 VAL HA H 4.30 . 1 478 50 VAL HB H 1.76 . 1 479 50 VAL HG1 H 0.44 . 1 480 50 VAL HG2 H 0.44 . 1 481 50 VAL CA C 62.02 . 1 482 50 VAL CB C 32.37 . 1 483 50 VAL CG1 C 22.10 . 1 484 50 VAL CG2 C 22.10 . 1 485 50 VAL N N 125.36 . 1 486 51 ILE H H 8.79 . 1 487 51 ILE HA H 5.28 . 1 488 51 ILE HB H 1.71 . 1 489 51 ILE HG12 H 1.52 . 2 490 51 ILE HG13 H 1.09 . 2 491 51 ILE HG2 H 0.69 . 1 492 51 ILE HD1 H 0.81 . 1 493 51 ILE CA C 59.23 . 1 495 51 ILE CG1 C 27.53 . 1 496 51 ILE CG2 C 17.24 . 1 497 51 ILE CD1 C 13.39 . 1 498 51 ILE N N 126.31 . 1 499 52 ILE H H 8.85 . 1 500 52 ILE HA H 5.06 . 1 501 52 ILE HB H 1.95 . 1 502 52 ILE HG12 H 1.55 . 1 503 52 ILE HG13 H 1.55 . 1 504 52 ILE HG2 H 0.92 . 1 505 52 ILE HD1 H 0.48 . 1 506 52 ILE CA C 60.16 . 1 507 52 ILE CB C 39.99 . 1 508 52 ILE CG1 C 27.62 . 1 509 52 ILE CG2 C 17.68 . 1 510 52 ILE CD1 C 13.54 . 1 511 52 ILE N N 124.14 . 1 512 53 ASP H H 9.64 . 1 513 53 ASP HA H 4.41 . 1 514 53 ASP HB2 H 2.57 . 2 515 53 ASP HB3 H 3.12 . 2 516 53 ASP CA C 55.67 . 1 517 53 ASP CB C 39.92 . 1 518 53 ASP N N 131.18 . 1 519 54 GLY H H 8.31 . 1 520 54 GLY HA2 H 3.47 . 2 521 54 GLY HA3 H 4.20 . 2 522 54 GLY CA C 45.30 . 1 523 54 GLY N N 103.36 . 1 524 55 ARG H H 8.17 . 1 525 55 ARG HA H 4.31 . 1 526 55 ARG HB2 H 2.04 . 2 527 55 ARG HB3 H 1.70 . 2 528 55 ARG HG2 H 1.71 . 2 529 55 ARG HG3 H 1.40 . 2 530 55 ARG HD2 H 2.83 . 1 531 55 ARG HD3 H 2.83 . 1 532 55 ARG CA C 55.36 . 1 533 55 ARG CB C 31.37 . 1 534 55 ARG CG C 26.71 . 1 535 55 ARG CD C 43.65 . 1 537 56 GLU H H 8.53 . 1 538 56 GLU HA H 4.58 . 1 539 56 GLU HB2 H 1.88 . 2 540 56 GLU HB3 H 2.18 . 2 541 56 GLU HG2 H 2.22 . 1 542 56 GLU HG3 H 2.22 . 1 543 56 GLU CA C 56.23 . 1 544 56 GLU CB C 30.39 . 1 545 56 GLU CG C 36.06 . 1 546 56 GLU N N 125.97 . 1 547 57 PHE H H 8.53 . 1 548 57 PHE HA H 4.62 . 1 549 57 PHE HB2 H 2.95 . 2 550 57 PHE HB3 H 3.37 . 2 551 57 PHE HD1 H 7.31 . 1 552 57 PHE HD2 H 7.31 . 1 553 57 PHE HE1 H 7.77 . 1 554 57 PHE HE2 H 7.77 . 1 555 57 PHE CA C 57.41 . 1 557 57 PHE CD1 C 130.92 . 1 558 57 PHE CD2 C 130.92 . 1 559 57 PHE N N 124.70 . 1 560 58 PRO HA H 4.38 . 1 561 58 PRO HB2 H 2.51 . 2 562 58 PRO HB3 H 1.92 . 2 563 58 PRO HG2 H 2.15 . 2 564 58 PRO HG3 H 2.03 . 2 565 58 PRO HD2 H 3.61 . 1 566 58 PRO HD3 H 3.61 . 1 567 58 PRO CA C 63.48 . 1 568 58 PRO CB C 32.47 . 1 569 58 PRO CG C 22.71 . 1 570 58 PRO CD C 51.44 . 1 571 59 GLU H H 8.76 . 1 572 59 GLU HA H 4.51 . 1 573 59 GLU HB2 H 1.86 . 1 574 59 GLU HB3 H 1.86 . 1 575 59 GLU HG2 H 2.17 . 1 576 59 GLU HG3 H 2.17 . 1 577 59 GLU CA C 56.52 . 1 579 59 GLU CG C 35.48 . 1 580 59 GLU N N 119.08 . 1 581 60 GLY H H 9.45 . 1 582 60 GLY HA2 H 3.35 . 2 583 60 GLY HA3 H 4.71 . 2 584 60 GLY CA C 43.62 . 1 585 60 GLY N N 107.70 . 1 586 61 GLU H H 8.32 . 1 587 61 GLU HA H 6.05 . 1 588 61 GLU HB2 H 2.00 . 1 589 61 GLU HB3 H 2.00 . 1 590 61 GLU HG2 H 2.19 . 2 591 61 GLU HG3 H 2.33 . 2 592 61 GLU CA C 53.72 . 1 593 61 GLU CB C 34.44 . 1 594 61 GLU CG C 36.12 . 1 595 61 GLU N N 119.54 . 1 596 62 GLY H H 8.65 . 1 597 62 GLY HA2 H 4.57 . 2 598 62 GLY HA3 H 3.84 . 2 599 62 GLY CA C 45.14 . 1 601 63 ARG H H 9.29 . 1 602 63 ARG HA H 4.60 . 1 603 63 ARG HB2 H 2.19 . 2 604 63 ARG HB3 H 1.95 . 2 605 63 ARG HG2 H 1.78 . 1 606 63 ARG HG3 H 1.78 . 1 607 63 ARG HD2 H 3.31 . 1 608 63 ARG HD3 H 3.31 . 1 609 63 ARG CA C 57.36 . 1 610 63 ARG CB C 30.27 . 1 611 63 ARG CG C 27.76 . 1 612 63 ARG CD C 43.09 . 1 613 63 ARG N N 119.23 . 1 614 64 SER H H 7.78 . 1 615 64 SER HA H 4.70 . 1 616 64 SER HB2 H 4.50 . 2 617 64 SER HB3 H 3.94 . 2 618 64 SER CA C 55.67 . 1 619 64 SER CB C 66.40 . 1 620 64 SER N N 110.70 . 1 621 65 LYS HA H 3.51 . 1 622 65 LYS HB2 H 1.40 . 2 623 65 LYS HB3 H 1.60 . 2 624 65 LYS HG2 H 1.56 . 1 625 65 LYS HG3 H 1.56 . 1 626 65 LYS HD2 H 1.53 . 1 627 65 LYS HD3 H 1.53 . 1 628 65 LYS HE2 H 2.88 . 1 629 65 LYS HE3 H 2.88 . 1 630 65 LYS CA C 61.36 . 1 631 65 LYS CB C 31.82 . 1 632 65 LYS CG C 24.85 . 1 633 65 LYS CD C 29.52 . 1 634 65 LYS CE C 43.09 . 1 635 66 LYS H H 8.25 . 1 636 66 LYS HA H 3.61 . 1 637 66 LYS HB2 H 1.61 . 2 638 66 LYS HB3 H 1.75 . 2 639 66 LYS HG2 H 1.28 . 1 640 66 LYS HG3 H 1.28 . 1 641 66 LYS HD2 H 1.58 . 1 642 66 LYS HD3 H 1.58 . 1 643 66 LYS HE2 H 2.85 . 1 644 66 LYS HE3 H 2.85 . 1 645 66 LYS CA C 59.70 . 1 646 66 LYS CB C 32.11 . 1 647 66 LYS CG C 24.83 . 1 648 66 LYS CD C 29.16 . 1 649 66 LYS CE C 41.82 . 1 650 66 LYS N N 117.95 . 1 651 67 GLU H H 7.75 . 1 652 67 GLU HA H 4.11 . 1 653 67 GLU HB2 H 2.07 . 1 654 67 GLU HB3 H 2.07 . 1 655 67 GLU HG2 H 2.42 . 1 656 67 GLU HG3 H 2.42 . 1 657 67 GLU CA C 59.07 . 1 658 67 GLU CB C 30.81 . 1 659 67 GLU CG C 37.29 . 1 660 67 GLU N N 118.43 . 1 661 68 ALA H H 8.18 . 1 662 68 ALA HA H 3.92 . 1 663 68 ALA HB H 1.62 . 1 664 68 ALA CA C 55.31 . 1 665 68 ALA CB C 19.90 . 1 666 68 ALA N N 122.17 . 1 667 69 LYS H H 8.04 . 1 668 69 LYS HA H 3.40 . 1 669 69 LYS HB2 H 1.16 . 2 670 69 LYS HB3 H 1.01 . 2 671 69 LYS HG2 H 0.40 . 2 672 69 LYS HG3 H 0.09 . 2 673 69 LYS HD2 H 0.92 . 1 674 69 LYS HD3 H 0.92 . 1 675 69 LYS HE2 H 2.00 . 2 676 69 LYS HE3 H 2.02 . 2 677 69 LYS CA C 60.82 . 1 678 69 LYS CB C 32.25 . 1 679 69 LYS CG C 25.99 . 1 680 69 LYS CD C 29.32 . 1 681 69 LYS CE C 41.50 . 1 682 69 LYS N N 117.50 . 1 683 70 ASN H H 8.01 . 1 684 70 ASN HA H 4.40 . 1 685 70 ASN HB2 H 2.92 . 2 686 70 ASN HB3 H 2.85 . 2 687 70 ASN HD21 H 7.76 . 2 688 70 ASN HD22 H 7.16 . 2 689 70 ASN CA C 56.88 . 1 690 70 ASN CB C 39.43 . 1 691 70 ASN N N 117.40 . 1 692 70 ASN ND2 N 116.88 . 1 693 71 ALA H H 8.33 . 1 694 71 ALA HA H 4.14 . 1 695 71 ALA HB H 1.68 . 1 696 71 ALA CA C 54.97 . 1 697 71 ALA CB C 18.54 . 1 698 71 ALA N N 122.80 . 1 699 72 ALA H H 8.54 . 1 700 72 ALA HA H 4.12 . 1 701 72 ALA HB H 1.71 . 1 702 72 ALA CA C 54.77 . 1 703 72 ALA CB C 17.99 . 1 704 72 ALA N N 121.84 . 1 705 73 ALA H H 8.78 . 1 706 73 ALA HA H 4.03 . 1 707 73 ALA HB H 1.58 . 1 708 73 ALA CA C 54.87 . 1 709 73 ALA CB C 18.00 . 1 710 73 ALA N N 121.88 . 1 711 74 LYS H H 8.27 . 1 712 74 LYS HA H 3.12 . 1 713 74 LYS HB2 H 1.14 . 2 714 74 LYS HB3 H 1.66 . 2 715 74 LYS HG2 H 1.13 . 1 716 74 LYS HG3 H 1.13 . 1 717 74 LYS HD2 H 1.35 . 1 718 74 LYS HD3 H 1.35 . 1 719 74 LYS HE2 H 2.84 . 1 720 74 LYS HE3 H 2.84 . 1 721 74 LYS CA C 59.75 . 1 722 74 LYS CB C 32.72 . 1 723 74 LYS CG C 24.38 . 1 724 74 LYS CD C 29.61 . 1 725 74 LYS CE C 42.48 . 1 726 74 LYS N N 120.28 . 1 727 75 LEU H H 7.31 . 1 728 75 LEU HA H 4.02 . 1 729 75 LEU HB2 H 1.96 . 2 730 75 LEU HB3 H 1.38 . 2 731 75 LEU HG H 1.79 . 1 732 75 LEU HD1 H 0.92 . 1 733 75 LEU HD2 H 0.92 . 1 734 75 LEU CA C 57.42 . 1 735 75 LEU CB C 41.98 . 1 736 75 LEU CG C 26.76 . 1 737 75 LEU CD1 C 22.93 . 1 738 75 LEU CD2 C 22.93 . 1 739 75 LEU N N 116.17 . 1 740 76 ALA H H 7.48 . 1 741 76 ALA HA H 4.00 . 1 742 76 ALA HB H 0.78 . 1 743 76 ALA CA C 54.93 . 1 744 76 ALA CB C 17.32 . 1 745 76 ALA N N 119.59 . 1 746 77 VAL H H 8.68 . 1 747 77 VAL HA H 3.23 . 1 748 77 VAL HB H 2.18 . 1 749 77 VAL HG1 H 1.06 . 2 750 77 VAL HG2 H 1.10 . 2 751 77 VAL CA C 66.73 . 1 752 77 VAL CB C 31.81 . 1 753 77 VAL CG1 C 24.40 . 2 754 77 VAL CG2 C 24.56 . 2 755 77 VAL N N 117.81 . 1 756 78 GLU H H 8.18 . 1 757 78 GLU HA H 4.00 . 1 758 78 GLU HB2 H 2.20 . 1 759 78 GLU HB3 H 2.20 . 1 760 78 GLU HG2 H 2.18 . 1 761 78 GLU HG3 H 2.18 . 1 762 78 GLU CA C 59.60 . 1 763 78 GLU CB C 29.41 . 1 764 78 GLU CG C 36.77 . 1 765 78 GLU N N 117.97 . 1 766 79 ILE H H 7.56 . 1 767 79 ILE HA H 3.78 . 1 768 79 ILE HB H 2.14 . 1 769 79 ILE HG12 H 1.33 . 2 770 79 ILE HG13 H 1.91 . 2 771 79 ILE HG2 H 1.05 . 1 772 79 ILE HD1 H 1.05 . 1 773 79 ILE CA C 64.98 . 1 774 79 ILE CB C 37.96 . 1 775 79 ILE CG1 C 29.78 . 2 776 79 ILE CG2 C 17.98 . 2 777 79 ILE CD1 C 13.95 . 1 778 79 ILE N N 120.60 . 1 779 80 LEU H H 8.67 . 1 780 80 LEU HA H 3.99 . 1 781 80 LEU HB2 H 1.06 . 2 782 80 LEU HB3 H 1.63 . 2 783 80 LEU HG H 1.56 . 1 784 80 LEU HD1 H -0.07 . 2 785 80 LEU HD2 H 0.79 . 2 786 80 LEU CA C 57.90 . 1 787 80 LEU CB C 41.24 . 1 788 80 LEU CG C 26.41 . 1 789 80 LEU CD1 C 24.49 . 2 790 80 LEU CD2 C 22.13 . 2 791 80 LEU N N 120.76 . 1 792 81 ASN H H 8.62 . 1 793 81 ASN HA H 4.53 . 1 794 81 ASN HB2 H 2.93 . 2 795 81 ASN HB3 H 2.79 . 2 796 81 ASN HD21 H 7.60 . 2 797 81 ASN HD22 H 7.06 . 2 798 81 ASN CA C 55.45 . 1 799 81 ASN CB C 38.06 . 1 800 81 ASN N N 111.85 . 1 801 82 LYS H H 7.81 . 1 802 82 LYS HA H 4.18 . 1 803 82 LYS HB2 H 2.06 . 1 804 82 LYS HB3 H 2.06 . 1 805 82 LYS HG2 H 1.59 . 1 806 82 LYS HG3 H 1.59 . 1 807 82 LYS HD2 H 1.70 . 1 808 82 LYS HD3 H 1.70 . 1 809 82 LYS HE2 H 3.03 . 1 810 82 LYS HE3 H 3.03 . 1 811 82 LYS CA C 58.81 . 1 812 82 LYS CB C 32.46 . 1 813 82 LYS CG C 24.92 . 1 814 82 LYS CD C 29.24 . 1 815 82 LYS CE C 42.03 . 1 816 82 LYS N N 121.31 . 1 817 83 GLU H H 8.13 . 1 818 83 GLU HA H 4.18 . 1 819 83 GLU HB2 H 2.10 . 1 820 83 GLU HB3 H 2.10 . 1 821 83 GLU HG2 H 2.66 . 1 822 83 GLU HG3 H 2.26 . 1 823 83 GLU CA C 57.60 . 1 824 83 GLU CB C 29.59 . 1 825 83 GLU CG C 36.66 . 1 826 83 GLU N N 118.47 . 1 827 84 LYS H H 7.77 . 1 828 84 LYS HA H 4.24 . 1 829 84 LYS HB2 H 1.98 . 1 830 84 LYS HB3 H 1.98 . 1 831 84 LYS HG2 H 1.55 . 1 832 84 LYS HG3 H 1.55 . 1 833 84 LYS HD2 H 1.75 . 1 834 84 LYS HD3 H 1.75 . 1 835 84 LYS HE2 H 3.05 . 1 836 84 LYS HE3 H 3.05 . 1 837 84 LYS CA C 57.32 . 1 838 84 LYS CB C 32.08 . 1 839 84 LYS CG C 24.79 . 1 840 84 LYS CD C 28.97 . 1 841 84 LYS CE C 42.06 . 1 842 84 LYS N N 118.98 . 1 843 85 LYS H H 7.95 . 1 844 85 LYS HA H 4.30 . 1 845 85 LYS HB2 H 1.81 . 1 846 85 LYS HB3 H 1.81 . 1 847 85 LYS HG2 H 1.49 . 2 848 85 LYS HG3 H 1.55 . 2 849 85 LYS HD2 H 1.74 . 1 850 85 LYS HD3 H 1.74 . 1 851 85 LYS HE2 H 3.03 . 1 852 85 LYS HE3 H 3.03 . 1 853 85 LYS CA C 56.44 . 1 854 85 LYS CB C 32.82 . 1 855 85 LYS CG C 24.87 . 1 856 85 LYS CD C 28.97 . 1 857 85 LYS CE C 42.06 . 1 858 85 LYS N N 119.96 . 1 859 86 ALA H H 7.99 . 1 860 86 ALA HA H 4.36 . 1 861 86 ALA HB H 1.41 . 1 862 86 ALA CA C 52.39 . 1 863 86 ALA CB C 19.15 . 1 865 87 VAL H H 8.00 . 1 866 87 VAL HA H 4.15 . 1 867 87 VAL HB H 2.09 . 1 868 87 VAL HG1 H 0.94 . 1 869 87 VAL HG2 H 0.94 . 1 870 87 VAL CA C 61.91 . 1 871 87 VAL CB C 32.79 . 1 872 87 VAL CG1 C 20.85 . 1 873 87 VAL CG2 C 20.85 . 1 874 87 VAL N N 118.43 . 1 875 88 SER H H 8.31 . 1 876 88 SER HA H 4.78 . 1 877 88 SER HB2 H 3.38 . 1 878 88 SER HB3 H 3.38 . 1 879 88 SER CA C 56.02 . 1 880 88 SER CB C 63.35 . 1 881 88 SER N N 120.12 . 1 882 89 PRO HA H 4.44 . 1 883 89 PRO HB2 H 1.92 . 2 884 89 PRO HB3 H 2.33 . 2 885 89 PRO HG2 H 2.03 . 1 886 89 PRO HG3 H 2.03 . 1 887 89 PRO HD2 H 3.79 . 2 888 89 PRO HD3 H 3.86 . 2 889 89 PRO CA C 63.44 . 1 890 89 PRO CB C 32.00 . 1 891 89 PRO CG C 27.19 . 1 892 89 PRO CD C 50.68 . 1 893 90 LEU H H 8.12 . 1 894 90 LEU HA H 4.28 . 1 895 90 LEU HB2 H 1.60 . 1 896 90 LEU HB3 H 1.60 . 1 897 90 LEU HG H 1.61 . 1 898 90 LEU HD1 H 0.91 . 2 899 90 LEU HD2 H 0.87 . 2 900 90 LEU CA C 55.38 . 1 901 90 LEU CB C 41.98 . 1 902 90 LEU CG C 27.19 . 1 903 90 LEU CD1 C 24.64 . 2 904 90 LEU CD2 C 23.53 . 2 905 90 LEU N N 120.46 . 1 906 91 LEU H H 8.02 . 1 907 91 LEU HA H 4.38 . 1 908 91 LEU HB2 H 1.62 . 1 909 91 LEU HB3 H 1.62 . 1 910 91 LEU HD1 H 0.90 . 2 911 91 LEU HD2 H 0.87 . 2 912 91 LEU CA C 54.94 . 1 913 91 LEU CB C 42.13 . 1 914 91 LEU CG C 24.87 . 1 915 91 LEU CD1 C 26.92 . 2 916 91 LEU CD2 C 23.42 . 2 917 91 LEU N N 121.71 . 1 918 92 LEU H H 8.08 . 1 919 92 LEU HA H 4.43 . 1 920 92 LEU HB2 H 1.68 . 1 921 92 LEU HB3 H 1.68 . 1 922 92 LEU HG H 1.63 . 1 923 92 LEU HD1 H 0.92 . 2 924 92 LEU HD2 H 0.87 . 2 925 92 LEU CA C 55.28 . 1 926 92 LEU CB C 42.44 . 1 927 92 LEU CG C 26.82 . 1 928 92 LEU CD1 C 24.92 . 2 929 92 LEU CD2 C 23.36 . 2 930 92 LEU N N 122.29 . 1 931 93 THR H H 8.09 . 1 932 93 THR HA H 4.44 . 1 933 93 THR HB H 4.30 . 1 934 93 THR HG2 H 1.21 . 1 935 93 THR CA C 61.61 . 1 936 93 THR CB C 69.76 . 1 937 93 THR CG2 C 21.47 . 1 938 93 THR N N 113.79 . 1 939 94 THR H H 8.13 . 1 940 94 THR HA H 4.45 . 1 941 94 THR HB H 4.30 . 1 942 94 THR HG2 H 1.21 . 1 943 94 THR CA C 61.56 . 1 944 94 THR CB C 69.48 . 1 945 94 THR CG2 C 21.50 . 1 946 94 THR N N 115.28 . 1 947 95 THR H H 8.16 . 1 948 95 THR HA H 4.36 . 1 949 95 THR HB H 4.24 . 1 950 95 THR HG2 H 1.19 . 1 951 95 THR CA C 61.86 . 1 952 95 THR CB C 69.66 . 1 953 95 THR CG2 C 21.43 . 1 954 95 THR N N 115.55 . 1 955 96 ASN H H 8.48 . 1 956 96 ASN HA H 4.77 . 1 957 96 ASN HB2 H 2.81 . 2 958 96 ASN HB3 H 2.86 . 2 959 96 ASN CA C 53.16 . 1 960 96 ASN CB C 38.83 . 1 961 96 ASN N N 120.98 . 1 962 97 SER H H 8.31 . 1 963 97 SER HA H 4.30 . 1 964 97 SER HB2 H 3.88 . 1 965 97 SER HB3 H 3.88 . 1 966 97 SER CA C 58.48 . 1 968 97 SER N N 116.59 . 1 969 98 SER H H 8.44 . 1 970 98 SER HA H 4.45 . 1 971 98 SER HB2 H 3.92 . 1 972 98 SER HB3 H 3.92 . 1 973 98 SER CA C 58.84 . 1 974 98 SER CB C 63.43 . 1 975 98 SER N N 117.71 . 1 976 99 GLU H H 8.32 . 1 977 99 GLU HA H 4.26 . 1 978 99 GLU HB2 H 1.96 . 2 979 99 GLU HB3 H 2.06 . 2 980 99 GLU CA C 56.90 . 1 981 99 GLU CB C 29.95 . 1 982 99 GLU N N 122.23 . 1 983 100 GLY H H 8.33 . 1 984 100 GLY HA2 H 3.93 . 1 985 100 GLY HA3 H 3.93 . 1 986 100 GLY CA C 45.42 . 1 988 101 LEU H H 8.02 . 1 989 101 LEU HA H 4.31 . 1 990 101 LEU HB2 H 0.92 . 2 991 101 LEU HB3 H 1.63 . 2 992 101 LEU HG H 1.60 . 1 993 101 LEU HD1 H 0.87 . 2 994 101 LEU HD2 H 0.79 . 2 995 101 LEU CA C 55.07 . 1 997 101 LEU CG C 26.84 . 1 998 101 LEU CD1 C 24.84 . 2 999 101 LEU CD2 C 23.45 . 2 1000 101 LEU N N 121.63 . 1 1001 102 SER H H 8.31 . 1 1002 102 SER HA H 4.57 . 1 1003 102 SER HB2 H 3.87 . 1 1004 102 SER HB3 H 3.87 . 1 1005 102 SER CA C 58.35 . 1 1006 102 SER CB C 63.40 . 1 1007 102 SER N N 116.59 . 1 1008 103 MET HA H 4.42 . 1 1009 103 MET HB2 H 2.62 . 1 1010 103 MET HB3 H 2.62 . 1 1011 103 MET HG2 H 2.09 . 1 1012 103 MET HG3 H 2.09 . 1 1013 103 MET CA C 55.92 . 1 1014 103 MET CB C 32.07 . 1 1015 103 MET CG C 32.51 . 1 1016 104 GLY H H 8.14 . 1 1017 104 GLY HA2 H 3.72 . 1 1018 104 GLY HA3 H 3.72 . 1 1019 104 GLY CA C 45.30 . 1 1020 104 GLY N N 107.23 . 1 1021 105 ASN H H 7.89 . 1 1022 105 ASN HA H 4.74 . 1 1023 105 ASN HB2 H 2.88 . 2 1024 105 ASN HB3 H 2.81 . 2 1025 105 ASN HD21 H 8.64 . 2 1026 105 ASN HD22 H 7.61 . 2 1027 105 ASN CA C 51.93 . 1 1029 105 ASN N N 117.99 . 1 1030 106 TYR H H 7.83 . 1 1031 106 TYR HA H 3.81 . 1 1032 106 TYR HB2 H 3.07 . 2 1033 106 TYR HB3 H 2.73 . 2 1034 106 TYR HD1 H 6.94 . 1 1035 106 TYR HD2 H 6.94 . 1 1036 106 TYR CA C 62.58 . 1 1037 106 TYR CB C 38.10 . 1 1038 106 TYR CD1 C 132.79 . 1 1039 106 TYR CD2 C 118.07 . 1 1040 106 TYR N N 121.93 . 1 1041 107 ILE H H 8.41 . 1 1042 107 ILE HA H 3.61 . 1 1043 107 ILE HB H 1.74 . 1 1044 107 ILE HG12 H 1.49 . 1 1045 107 ILE HG13 H 1.49 . 1 1046 107 ILE HG2 H 0.84 . 1 1047 107 ILE HD1 H 0.55 . 1 1048 107 ILE CA C 64.97 . 1 1049 107 ILE CB C 38.11 . 1 1050 107 ILE CG1 C 29.31 . 1 1051 107 ILE CG2 C 16.16 . 1 1052 107 ILE CD1 C 13.00 . 1 1053 107 ILE N N 121.65 . 1 1054 108 GLY H H 7.65 . 1 1055 108 GLY HA2 H 3.81 . 1 1056 108 GLY HA3 H 3.81 . 1 1057 108 GLY CA C 47.20 . 1 1058 108 GLY N N 107.98 . 1 1059 109 LEU H H 7.60 . 1 1060 109 LEU HA H 3.98 . 1 1061 109 LEU HB2 H 1.48 . 2 1062 109 LEU HB3 H 1.27 . 2 1063 109 LEU HG H 1.41 . 1 1064 109 LEU HD1 H 0.24 . 2 1065 109 LEU HD2 H 0.62 . 2 1066 109 LEU CA C 58.03 . 1 1067 109 LEU CB C 41.65 . 1 1068 109 LEU CG C 26.01 . 1 1069 109 LEU CD1 C 24.24 . 2 1070 109 LEU CD2 C 23.12 . 2 1071 109 LEU N N 123.19 . 1 1072 110 ILE H H 8.43 . 1 1073 110 ILE HA H 3.96 . 1 1074 110 ILE HB H 2.32 . 1 1075 110 ILE HG12 H 1.77 . 2 1076 110 ILE HG13 H 1.65 . 2 1077 110 ILE HG2 H 0.94 . 1 1078 110 ILE HD1 H 0.78 . 1 1079 110 ILE CA C 61.45 . 1 1080 110 ILE CB C 35.31 . 1 1081 110 ILE CG1 C 27.98 . 1 1082 110 ILE CG2 C 18.44 . 1 1083 110 ILE CD1 C 9.85 . 1 1084 110 ILE N N 119.73 . 1 1085 111 ASN H H 7.92 . 1 1086 111 ASN HA H 4.49 . 1 1087 111 ASN HB2 H 2.95 . 2 1088 111 ASN HB3 H 2.90 . 2 1089 111 ASN CA C 56.26 . 1 1090 111 ASN CB C 38.06 . 1 1091 111 ASN N N 118.91 . 1 1092 112 ARG H H 7.82 . 1 1093 112 ARG HA H 4.15 . 1 1094 112 ARG HB2 H 1.73 . 2 1095 112 ARG HB3 H 2.04 . 2 1096 112 ARG HG2 H 1.87 . 2 1097 112 ARG HG3 H 1.73 . 2 1098 112 ARG HD2 H 3.23 . 1 1099 112 ARG HD3 H 3.23 . 1 1100 112 ARG CA C 59.61 . 1 1101 112 ARG CB C 30.09 . 1 1102 112 ARG CG C 27.24 . 1 1103 112 ARG CD C 43.23 . 1 1104 112 ARG N N 119.41 . 1 1105 113 ILE H H 7.99 . 1 1106 113 ILE HA H 3.72 . 1 1107 113 ILE HB H 1.94 . 1 1108 113 ILE HG12 H 1.22 . 2 1109 113 ILE HG13 H 1.90 . 2 1110 113 ILE HG2 H 0.92 . 1 1111 113 ILE HD1 H 0.93 . 1 1112 113 ILE CA C 64.99 . 1 1113 113 ILE CB C 37.93 . 1 1114 113 ILE CG1 C 29.21 . 1 1115 113 ILE CG2 C 17.13 . 1 1116 113 ILE CD1 C 13.54 . 1 1117 113 ILE N N 121.88 . 1 1118 114 ALA H H 8.72 . 1 1119 114 ALA HA H 3.91 . 1 1120 114 ALA HB H 1.49 . 1 1121 114 ALA CA C 55.77 . 1 1122 114 ALA CB C 18.21 . 1 1123 114 ALA N N 122.41 . 1 1124 115 GLN H H 8.10 . 1 1125 115 GLN HA H 4.18 . 1 1126 115 GLN HB2 H 2.20 . 1 1127 115 GLN HB3 H 2.20 . 1 1128 115 GLN HG2 H 2.43 . 2 1129 115 GLN HG3 H 2.62 . 2 1130 115 GLN HE21 H 7.45 . 2 1131 115 GLN HE22 H 6.84 . 2 1132 115 GLN CA C 58.73 . 1 1133 115 GLN CB C 28.21 . 1 1134 115 GLN CG C 33.91 . 1 1135 115 GLN N N 116.25 . 1 1136 115 GLN NE2 N 114.19 . 1 1137 116 LYS H H 7.79 . 1 1138 116 LYS HA H 4.10 . 1 1139 116 LYS HB2 H 2.07 . 1 1140 116 LYS HB3 H 2.07 . 1 1141 116 LYS HG2 H 1.55 . 1 1142 116 LYS HG3 H 1.55 . 1 1143 116 LYS HD2 H 1.62 . 1 1144 116 LYS HD3 H 1.62 . 1 1145 116 LYS HE2 H 3.00 . 1 1146 116 LYS HE3 H 3.00 . 1 1147 116 LYS CA C 58.90 . 1 1148 116 LYS CB C 32.08 . 1 1149 116 LYS CG C 24.89 . 1 1150 116 LYS CD C 29.02 . 1 1151 116 LYS CE C 41.96 . 1 1152 116 LYS N N 120.62 . 1 1153 117 LYS H H 7.97 . 1 1154 117 LYS HA H 4.20 . 1 1155 117 LYS HB2 H 1.63 . 2 1156 117 LYS HB3 H 2.00 . 2 1157 117 LYS HG2 H 1.64 . 2 1158 117 LYS HG3 H 1.49 . 2 1159 117 LYS HD2 H 1.62 . 1 1160 117 LYS HD3 H 1.62 . 1 1161 117 LYS HE2 H 2.90 . 1 1162 117 LYS HE3 H 2.90 . 1 1163 117 LYS CA C 56.72 . 1 1164 117 LYS CB C 33.63 . 1 1165 117 LYS CG C 26.08 . 1 1166 117 LYS CD C 29.66 . 1 1167 117 LYS CE C 42.48 . 1 1168 117 LYS N N 116.47 . 1 1169 118 ARG H H 7.89 . 1 1170 118 ARG HA H 3.93 . 1 1171 118 ARG HB2 H 2.16 . 2 1172 118 ARG HB3 H 1.96 . 2 1173 118 ARG HG2 H 1.64 . 1 1174 118 ARG HG3 H 1.64 . 1 1175 118 ARG HD2 H 3.26 . 1 1176 118 ARG HD3 H 3.26 . 1 1177 118 ARG CA C 56.74 . 1 1178 118 ARG CB C 26.36 . 1 1179 118 ARG CG C 27.46 . 1 1180 118 ARG CD C 43.42 . 1 1181 118 ARG N N 116.53 . 1 1182 119 LEU H H 8.24 . 1 1183 119 LEU HA H 4.88 . 1 1184 119 LEU HB2 H 1.44 . 2 1185 119 LEU HB3 H 1.40 . 2 1186 119 LEU HG H 0.86 . 1 1187 119 LEU HD1 H 0.97 . 1 1188 119 LEU HD2 H 0.97 . 1 1189 119 LEU CA C 52.62 . 1 1190 119 LEU CB C 46.22 . 1 1191 119 LEU CG C 26.23 . 1 1192 119 LEU CD1 C 22.63 . 1 1193 119 LEU CD2 C 22.63 . 1 1194 119 LEU N N 118.01 . 1 1195 120 THR H H 8.15 . 1 1196 120 THR HA H 4.39 . 1 1197 120 THR HB H 4.13 . 1 1198 120 THR HG2 H 1.22 . 1 1199 120 THR CA C 61.33 . 1 1200 120 THR CB C 70.12 . 1 1201 120 THR CG2 C 21.80 . 1 1202 120 THR N N 113.61 . 1 1203 121 VAL H H 8.54 . 1 1204 121 VAL HA H 4.97 . 1 1205 121 VAL HB H 1.83 . 1 1206 121 VAL HG1 H 0.75 . 1 1207 121 VAL HG2 H 0.75 . 1 1208 121 VAL CA C 60.29 . 1 1209 121 VAL CB C 34.18 . 1 1210 121 VAL CG1 C 22.55 . 2 1211 121 VAL CG2 C 20.69 . 2 1212 121 VAL N N 123.03 . 1 1213 122 ASN H H 8.84 . 1 1214 122 ASN HA H 4.99 . 1 1215 122 ASN HB2 H 2.58 . 2 1216 122 ASN HB3 H 2.70 . 2 1217 122 ASN CA C 52.08 . 1 1218 122 ASN CB C 43.13 . 1 1219 122 ASN N N 125.20 . 1 1220 123 TYR H H 8.69 . 1 1221 123 TYR HA H 5.11 . 1 1222 123 TYR HB2 H 2.56 . 2 1223 123 TYR HB3 H 2.83 . 2 1224 123 TYR HD1 H 6.84 . 1 1225 123 TYR HD2 H 6.84 . 1 1226 123 TYR HE1 H 6.70 . 1 1227 123 TYR HE2 H 6.70 . 1 1228 123 TYR CA C 57.42 . 1 1229 123 TYR CB C 39.57 . 1 1230 123 TYR CD1 C 132.03 . 1 1231 123 TYR CD2 C 132.03 . 1 1232 123 TYR CE1 C 117.63 . 1 1233 123 TYR CE2 C 117.63 . 1 1234 123 TYR N N 120.11 . 1 1235 124 GLU H H 9.14 . 1 1236 124 GLU HA H 4.69 . 1 1237 124 GLU HB2 H 1.86 . 2 1238 124 GLU HB3 H 1.95 . 2 1239 124 GLU HG2 H 2.23 . 2 1240 124 GLU HG3 H 2.13 . 2 1241 124 GLU CA C 54.76 . 1 1242 124 GLU CB C 32.08 . 1 1243 124 GLU CG C 35.81 . 1 1245 125 GLN H H 9.08 . 1 1246 125 GLN HA H 3.99 . 1 1247 125 GLN HB2 H 1.80 . 1 1248 125 GLN HB3 H 1.80 . 1 1249 125 GLN HG2 H 2.22 . 2 1250 125 GLN HG3 H 2.14 . 2 1251 125 GLN HE21 H 7.89 . 2 1252 125 GLN HE22 H 7.04 . 2 1253 125 GLN CA C 55.91 . 1 1254 125 GLN CB C 28.18 . 1 1255 125 GLN CG C 33.70 . 1 1256 125 GLN N N 128.86 . 1 1257 125 GLN NE2 N 112.09 . 1 1258 126 CYS H H 8.58 . 1 1259 126 CYS HA H 4.83 . 1 1260 126 CYS HB2 H 2.99 . 2 1261 126 CYS HB3 H 2.63 . 2 1262 126 CYS CA C 56.83 . 1 1264 126 CYS N N 124.00 . 1 1265 127 ALA HA H 4.30 . 1 1266 127 ALA HB H 1.40 . 1 1267 127 ALA CA C 53.35 . 1 1268 127 ALA CB C 19.25 . 1 1269 128 SER H H 7.44 . 1 1270 128 SER HA H 3.64 . 1 1271 128 SER HB2 H 3.36 . 2 1272 128 SER HB3 H 3.43 . 2 1273 128 SER CA C 56.73 . 1 1274 128 SER CB C 64.33 . 1 1275 128 SER N N 109.66 . 1 1276 129 GLY H H 6.88 . 1 1277 129 GLY HA2 H 3.61 . 2 1278 129 GLY HA3 H 4.21 . 2 1279 129 GLY CA C 43.78 . 1 1280 129 GLY N N 108.26 . 1 1281 130 VAL H H 8.76 . 1 1282 130 VAL HA H 3.77 . 1 1283 130 VAL HB H 1.88 . 1 1284 130 VAL HG1 H 0.66 . 2 1285 130 VAL HG2 H 0.81 . 2 1286 130 VAL CA C 64.42 . 1 1287 130 VAL CB C 31.72 . 1 1288 130 VAL CG1 C 20.57 . 2 1289 130 VAL CG2 C 20.57 . 2 1291 131 HIS H H 8.63 . 1 1292 131 HIS HA H 4.86 . 1 1293 131 HIS HB2 H 3.38 . 2 1294 131 HIS HB3 H 3.00 . 2 1295 131 HIS HD2 H 7.13 . 1 1296 131 HIS HE1 H 7.82 . 1 1297 131 HIS CA C 55.04 . 1 1298 131 HIS CB C 29.67 . 1 1299 131 HIS CD2 C 119.11 . 1 1300 131 HIS N N 116.98 . 1 1301 132 GLY H H 7.37 . 1 1302 132 GLY HA2 H 4.65 . 2 1303 132 GLY HA3 H 3.82 . 2 1304 132 GLY CA C 44.55 . 1 1305 132 GLY N N 107.63 . 1 1306 133 PRO HA H 4.43 . 1 1307 133 PRO HB2 H 2.05 . 2 1308 133 PRO HB3 H 1.95 . 2 1309 133 PRO HG2 H 2.00 . 1 1310 133 PRO HG3 H 2.00 . 1 1311 133 PRO HD2 H 3.85 . 2 1312 133 PRO HD3 H 3.54 . 2 1313 133 PRO CA C 64.10 . 1 1314 133 PRO CB C 32.55 . 1 1315 133 PRO CG C 26.31 . 1 1316 133 PRO CD C 47.74 . 1 1317 134 GLU H H 8.63 . 1 1318 134 GLU HA H 4.08 . 1 1319 134 GLU HB2 H 1.93 . 1 1320 134 GLU HB3 H 1.93 . 1 1321 134 GLU HG2 H 2.29 . 1 1322 134 GLU HG3 H 2.29 . 1 1323 134 GLU CA C 58.74 . 1 1324 134 GLU CB C 29.31 . 1 1325 134 GLU CG C 36.35 . 1 1326 134 GLU N N 123.46 . 1 1327 135 GLY H H 8.10 . 1 1328 135 GLY HA2 H 4.06 . 2 1329 135 GLY HA3 H 3.49 . 2 1330 135 GLY CA C 43.43 . 1 1331 135 GLY N N 110.78 . 1 1332 136 PHE H H 8.31 . 1 1333 136 PHE HA H 4.31 . 1 1334 136 PHE HB2 H 2.42 . 2 1335 136 PHE HB3 H 2.74 . 2 1336 136 PHE HD1 H 6.93 . 1 1337 136 PHE HD2 H 6.93 . 1 1338 136 PHE HE1 H 7.41 . 1 1339 136 PHE HE2 H 7.41 . 1 1340 136 PHE CA C 56.71 . 1 1341 136 PHE CB C 42.29 . 1 1342 136 PHE CD1 C 131.15 . 1 1343 136 PHE CD2 C 131.15 . 1 1344 136 PHE CE1 C 131.43 . 1 1345 136 PHE CE2 C 131.43 . 1 1346 136 PHE N N 116.59 . 1 1347 137 HIS H H 8.39 . 1 1348 137 HIS HA H 5.89 . 1 1349 137 HIS HB2 H 2.79 . 2 1350 137 HIS HB3 H 2.48 . 2 1351 137 HIS HD2 H 6.63 . 1 1352 137 HIS CA C 54.06 . 1 1353 137 HIS CB C 32.96 . 1 1354 137 HIS N N 118.88 . 1 1355 138 TYR H H 9.29 . 1 1356 138 TYR HA H 5.62 . 1 1357 138 TYR HB2 H 2.60 . 2 1358 138 TYR HB3 H 2.71 . 2 1359 138 TYR HD1 H 6.84 . 1 1360 138 TYR HD2 H 6.84 . 1 1361 138 TYR HE1 H 6.66 . 1 1362 138 TYR HE2 H 6.66 . 1 1363 138 TYR CA C 56.87 . 1 1364 138 TYR CB C 45.17 . 1 1365 138 TYR CD1 C 131.97 . 1 1366 138 TYR CD2 C 131.97 . 1 1367 138 TYR CE1 C 117.58 . 1 1368 138 TYR CE2 C 117.58 . 1 1369 138 TYR N N 122.10 . 1 1370 139 LYS H H 8.92 . 1 1371 139 LYS HA H 5.08 . 1 1372 139 LYS HB2 H 1.63 . 2 1373 139 LYS HB3 H 1.84 . 2 1374 139 LYS HG2 H 1.33 . 1 1375 139 LYS HG3 H 1.33 . 1 1376 139 LYS HD2 H 1.62 . 2 1377 139 LYS HD3 H 1.56 . 2 1378 139 LYS HE2 H 2.84 . 1 1379 139 LYS HE3 H 2.84 . 1 1380 139 LYS CA C 54.11 . 1 1381 139 LYS CB C 36.13 . 1 1382 139 LYS CG C 24.07 . 1 1383 139 LYS CD C 29.62 . 1 1384 139 LYS CE C 41.87 . 1 1385 139 LYS N N 116.63 . 1 1386 140 CYS H H 9.67 . 1 1387 140 CYS HA H 4.27 . 1 1388 140 CYS HB2 H 2.77 . 2 1389 140 CYS HB3 H 2.55 . 2 1390 140 CYS CA C 58.90 . 1 1392 140 CYS N N 125.02 . 1 1393 141 LYS H H 8.81 . 1 1394 141 LYS HA H 5.26 . 1 1395 141 LYS HB2 H 1.64 . 2 1396 141 LYS HB3 H 1.81 . 2 1397 141 LYS HG2 H 1.88 . 1 1398 141 LYS HG3 H 1.88 . 1 1399 141 LYS HD2 H 1.59 . 1 1400 141 LYS HD3 H 1.59 . 1 1401 141 LYS HE2 H 2.93 . 2 1402 141 LYS HE3 H 2.82 . 2 1403 141 LYS CA C 54.63 . 1 1404 141 LYS CB C 34.85 . 1 1405 141 LYS CG C 24.70 . 1 1406 141 LYS CD C 29.56 . 1 1407 141 LYS CE C 41.92 . 1 1409 142 MET H H 8.67 . 1 1410 142 MET HA H 5.20 . 1 1411 142 MET HB2 H 1.86 . 1 1412 142 MET HB3 H 1.86 . 1 1413 142 MET HG2 H 2.31 . 1 1414 142 MET HG3 H 2.31 . 1 1415 142 MET CA C 53.89 . 1 1416 142 MET CB C 35.72 . 1 1417 142 MET CG C 31.48 . 1 1418 142 MET N N 125.10 . 1 1419 143 GLY H H 9.10 . 1 1420 143 GLY HA2 H 3.95 . 1 1421 143 GLY HA3 H 3.95 . 1 1422 143 GLY CA C 47.26 . 1 1423 143 GLY N N 116.97 . 1 1424 144 GLN HA H 4.33 . 1 1425 144 GLN HB2 H 1.85 . 1 1426 144 GLN HB3 H 1.85 . 1 1427 144 GLN HG2 H 2.39 . 1 1428 144 GLN HG3 H 2.39 . 1 1429 144 GLN CA C 55.48 . 1 1430 144 GLN CB C 29.09 . 1 1431 144 GLN CG C 33.99 . 1 1432 145 LYS H H 7.85 . 1 1433 145 LYS HA H 4.30 . 1 1434 145 LYS HB2 H 1.78 . 2 1435 145 LYS HB3 H 1.65 . 2 1436 145 LYS HG2 H 1.18 . 2 1437 145 LYS HG3 H 1.10 . 2 1438 145 LYS HD2 H 1.64 . 1 1439 145 LYS HD3 H 1.64 . 1 1440 145 LYS HE2 H 2.83 . 1 1441 145 LYS HE3 H 2.83 . 1 1442 145 LYS CA C 55.60 . 1 1443 145 LYS CB C 34.12 . 1 1444 145 LYS CG C 24.69 . 1 1445 145 LYS CD C 28.70 . 1 1446 145 LYS CE C 41.93 . 1 1447 145 LYS N N 121.52 . 1 1448 146 GLU H H 8.12 . 1 1449 146 GLU HA H 4.83 . 1 1450 146 GLU HB2 H 1.85 . 1 1451 146 GLU HB3 H 1.85 . 1 1452 146 GLU HG2 H 2.12 . 2 1453 146 GLU HG3 H 2.05 . 2 1454 146 GLU CA C 54.38 . 1 1455 146 GLU CB C 32.43 . 1 1456 146 GLU CG C 36.24 . 1 1457 146 GLU N N 121.65 . 1 1458 147 TYR H H 8.20 . 1 1459 147 TYR HA H 4.63 . 1 1460 147 TYR HB2 H 3.23 . 2 1461 147 TYR HB3 H 3.34 . 2 1462 147 TYR HD1 H 7.07 . 1 1463 147 TYR HD2 H 7.07 . 1 1464 147 TYR HE1 H 6.57 . 1 1465 147 TYR HE2 H 6.57 . 1 1466 147 TYR CA C 58.24 . 1 1468 147 TYR CD1 C 132.57 . 1 1469 147 TYR CD2 C 132.57 . 1 1470 147 TYR CE1 C 116.94 . 1 1471 147 TYR CE2 C 116.94 . 1 1472 147 TYR N N 122.71 . 1 1473 148 SER H H 8.18 . 1 1474 148 SER HA H 4.37 . 1 1475 148 SER HB2 H 3.85 . 2 1476 148 SER HB3 H 4.05 . 2 1477 148 SER CA C 59.92 . 1 1478 148 SER CB C 64.60 . 1 1479 148 SER N N 112.83 . 1 1480 149 ILE H H 8.25 . 1 1481 149 ILE HA H 4.26 . 1 1482 149 ILE HB H 1.69 . 1 1483 149 ILE HG12 H 1.78 . 1 1484 149 ILE HG13 H 1.78 . 1 1485 149 ILE HG2 H 0.94 . 1 1486 149 ILE HD1 H 0.93 . 1 1487 149 ILE CA C 62.26 . 1 1489 149 ILE CG1 C 29.02 . 1 1490 149 ILE CG2 C 18.60 . 1 1491 149 ILE CD1 C 14.07 . 1 1492 149 ILE N N 119.91 . 1 1493 150 GLY H H 9.85 . 1 1494 150 GLY HA2 H 4.64 . 2 1495 150 GLY HA3 H 3.41 . 2 1496 150 GLY CA C 44.40 . 1 1497 150 GLY N N 116.89 . 1 1498 151 THR H H 8.11 . 1 1499 151 THR HA H 5.94 . 1 1500 151 THR HB H 3.92 . 1 1501 151 THR HG2 H 1.38 . 1 1502 151 THR CA C 61.24 . 1 1503 151 THR CB C 71.35 . 1 1504 151 THR CG2 C 22.19 . 1 1505 151 THR N N 121.47 . 1 1506 152 GLY H H 8.96 . 1 1507 152 GLY HA2 H 3.64 . 2 1508 152 GLY HA3 H 4.77 . 2 1509 152 GLY CA C 44.20 . 1 1510 152 GLY N N 110.47 . 1 1511 153 SER H H 9.19 . 1 1512 153 SER HA H 4.55 . 1 1513 153 SER HB2 H 4.07 . 1 1514 153 SER HB3 H 4.07 . 1 1515 153 SER CA C 60.30 . 1 1516 153 SER CB C 63.54 . 1 1517 153 SER N N 114.68 . 1 1518 154 THR H H 7.49 . 1 1519 154 THR HA H 4.56 . 1 1520 154 THR HB H 4.44 . 1 1521 154 THR HG2 H 1.25 . 1 1522 154 THR CA C 58.62 . 1 1523 154 THR CB C 72.40 . 1 1524 154 THR CG2 C 21.65 . 1 1525 154 THR N N 108.63 . 1 1526 155 LYS H H 8.49 . 1 1527 155 LYS HA H 3.49 . 1 1528 155 LYS HB2 H 1.56 . 2 1529 155 LYS HB3 H 1.42 . 2 1530 155 LYS HG2 H 1.54 . 1 1531 155 LYS HG3 H 1.54 . 1 1532 155 LYS HD2 H 1.51 . 1 1533 155 LYS HD3 H 1.51 . 1 1534 155 LYS HE2 H 2.83 . 1 1535 155 LYS HE3 H 2.83 . 1 1536 155 LYS CA C 60.80 . 1 1537 155 LYS CB C 32.02 . 1 1538 155 LYS CG C 24.85 . 1 1539 155 LYS CD C 29.41 . 1 1540 155 LYS CE C 41.99 . 1 1541 155 LYS N N 122.59 . 1 1542 156 GLN H H 8.26 . 1 1543 156 GLN HA H 3.77 . 1 1544 156 GLN HB2 H 1.84 . 2 1545 156 GLN HB3 H 2.00 . 2 1546 156 GLN HG2 H 2.36 . 2 1547 156 GLN HG3 H 2.29 . 2 1548 156 GLN HE21 H 7.41 . 2 1549 156 GLN HE22 H 6.70 . 2 1550 156 GLN CA C 58.76 . 1 1551 156 GLN CB C 27.75 . 1 1552 156 GLN CG C 33.10 . 1 1553 156 GLN N N 116.56 . 1 1554 156 GLN NE2 N 113.54 . 1 1555 157 GLU H H 7.71 . 1 1556 157 GLU HA H 3.98 . 1 1557 157 GLU HB2 H 2.07 . 2 1558 157 GLU HB3 H 2.09 . 2 1559 157 GLU HG2 H 2.29 . 2 1560 157 GLU HG3 H 2.36 . 2 1561 157 GLU CA C 59.17 . 1 1562 157 GLU CB C 30.82 . 1 1563 157 GLU CG C 37.16 . 1 1564 157 GLU N N 118.42 . 1 1565 158 ALA H H 8.02 . 1 1566 158 ALA HA H 3.80 . 1 1567 158 ALA HB H 1.67 . 1 1568 158 ALA CA C 54.84 . 1 1569 158 ALA CB C 20.35 . 1 1570 158 ALA N N 121.19 . 1 1571 159 LYS H H 8.24 . 1 1572 159 LYS HA H 3.41 . 1 1573 159 LYS HB2 H 1.00 . 2 1574 159 LYS HB3 H 1.17 . 2 1575 159 LYS HG2 H 0.30 . 2 1576 159 LYS HG3 H -0.13 . 2 1577 159 LYS CA C 60.64 . 1 1578 159 LYS CB C 32.29 . 1 1579 159 LYS CG C 25.84 . 1 1580 159 LYS N N 118.14 . 1 1581 160 GLN H H 7.90 . 1 1582 160 GLN HA H 4.13 . 1 1583 160 GLN HB2 H 2.15 . 2 1584 160 GLN HB3 H 2.27 . 2 1585 160 GLN HG2 H 2.49 . 2 1586 160 GLN HG3 H 2.58 . 2 1587 160 GLN HE21 H 7.32 . 2 1588 160 GLN HE22 H 6.71 . 2 1589 160 GLN CA C 58.94 . 1 1590 160 GLN CB C 28.16 . 1 1591 160 GLN CG C 33.18 . 1 1592 160 GLN N N 116.49 . 1 1593 160 GLN NE2 N 111.19 . 1 1594 161 LEU H H 8.01 . 1 1595 161 LEU HA H 4.24 . 1 1596 161 LEU HB2 H 1.75 . 1 1597 161 LEU HB3 H 1.75 . 1 1598 161 LEU HG H 1.75 . 1 1599 161 LEU HD1 H 1.18 . 2 1600 161 LEU HD2 H 1.08 . 2 1601 161 LEU CA C 57.15 . 1 1602 161 LEU CB C 41.04 . 1 1603 161 LEU CG C 27.60 . 1 1604 161 LEU CD1 C 25.32 . 2 1605 161 LEU CD2 C 23.91 . 2 1606 161 LEU N N 119.74 . 1 1607 162 ALA H H 8.78 . 1 1608 162 ALA HA H 4.11 . 1 1609 162 ALA HB H 1.78 . 1 1610 162 ALA CA C 55.55 . 1 1611 162 ALA CB C 18.04 . 1 1612 162 ALA N N 122.52 . 1 1613 163 ALA H H 8.51 . 1 1614 163 ALA HA H 4.21 . 1 1615 163 ALA HB H 1.62 . 1 1616 163 ALA CA C 54.95 . 1 1617 163 ALA CB C 18.30 . 1 1618 163 ALA N N 121.79 . 1 1619 164 LYS H H 8.36 . 1 1620 164 LYS HA H 3.33 . 1 1621 164 LYS HB2 H 1.91 . 2 1622 164 LYS HB3 H 1.15 . 2 1623 164 LYS CA C 60.05 . 1 1624 164 LYS CB C 32.80 . 1 1625 164 LYS CG C 24.47 . 1 1626 164 LYS N N 121.36 . 1 1627 165 LEU H H 8.82 . 1 1628 165 LEU HA H 3.99 . 1 1629 165 LEU HB2 H 1.44 . 2 1630 165 LEU HB3 H 1.95 . 2 1631 165 LEU HG H 1.95 . 1 1632 165 LEU HD1 H 0.81 . 2 1633 165 LEU HD2 H 0.91 . 2 1634 165 LEU CA C 57.64 . 1 1635 165 LEU CB C 41.43 . 1 1636 165 LEU CG C 26.15 . 1 1637 165 LEU CD1 C 26.15 . 2 1638 165 LEU CD2 C 22.04 . 2 1639 165 LEU N N 116.66 . 1 1640 166 ALA H H 7.96 . 1 1641 166 ALA HA H 3.79 . 1 1642 166 ALA HB H 1.08 . 1 1643 166 ALA CA C 54.99 . 1 1644 166 ALA CB C 17.93 . 1 1645 166 ALA N N 123.28 . 1 1646 167 TYR H H 8.87 . 1 1647 167 TYR HA H 3.83 . 1 1648 167 TYR HB2 H 3.29 . 2 1649 167 TYR HB3 H 3.16 . 2 1650 167 TYR HD1 H 6.92 . 2 1651 167 TYR HD2 H 6.80 . 2 1652 167 TYR CA C 61.84 . 1 1653 167 TYR CB C 38.58 . 1 1654 167 TYR CD1 C 131.97 . 1 1655 167 TYR CD2 C 118.16 . 1 1656 167 TYR N N 119.58 . 1 1657 168 LEU H H 8.59 . 1 1658 168 LEU HA H 3.86 . 1 1659 168 LEU HB2 H 1.86 . 2 1660 168 LEU HB3 H 1.47 . 2 1661 168 LEU HG H 1.99 . 1 1662 168 LEU HD1 H 0.90 . 2 1663 168 LEU HD2 H 0.95 . 2 1664 168 LEU CA C 57.41 . 1 1665 168 LEU CB C 41.16 . 1 1666 168 LEU CG C 26.66 . 1 1667 168 LEU CD1 C 25.74 . 2 1668 168 LEU CD2 C 21.98 . 2 1669 168 LEU N N 115.80 . 1 1670 169 GLN H H 7.58 . 1 1671 169 GLN HA H 4.13 . 1 1672 169 GLN HB2 H 2.25 . 2 1673 169 GLN HB3 H 2.20 . 2 1674 169 GLN HG2 H 2.40 . 2 1675 169 GLN HG3 H 2.58 . 2 1676 169 GLN HE21 H 7.06 . 2 1677 169 GLN HE22 H 6.57 . 2 1678 169 GLN CA C 59.09 . 1 1679 169 GLN CB C 28.19 . 1 1680 169 GLN CG C 33.52 . 1 1681 169 GLN N N 120.40 . 1 1682 170 ILE H H 8.77 . 1 1683 170 ILE HA H 3.70 . 1 1684 170 ILE HB H 1.71 . 1 1685 170 ILE HG12 H 0.99 . 2 1686 170 ILE HG13 H 1.60 . 2 1687 170 ILE HG2 H 0.51 . 1 1688 170 ILE HD1 H 0.81 . 1 1689 170 ILE CA C 65.39 . 1 1690 170 ILE CB C 37.87 . 1 1691 170 ILE CG1 C 29.52 . 1 1692 170 ILE CG2 C 14.38 . 1 1693 170 ILE CD1 C 17.01 . 1 1694 170 ILE N N 123.56 . 1 1695 171 LEU H H 8.22 . 1 1696 171 LEU HA H 3.91 . 1 1697 171 LEU HB2 H 1.43 . 1 1698 171 LEU HB3 H 1.43 . 1 1699 171 LEU HG H 1.36 . 1 1700 171 LEU HD1 H 0.67 . 2 1701 171 LEU HD2 H 0.64 . 2 1702 171 LEU CA C 56.59 . 1 1703 171 LEU CB C 41.46 . 1 1704 171 LEU CG C 26.72 . 1 1705 171 LEU CD1 C 24.28 . 1 1706 171 LEU CD2 C 22.83 . 1 1707 171 LEU N N 118.91 . 1 1708 172 SER H H 7.62 . 1 1709 172 SER HA H 4.30 . 1 1710 172 SER HB2 H 4.04 . 1 1711 172 SER HB3 H 4.04 . 1 1712 172 SER CA C 60.55 . 1 1713 172 SER CB C 63.07 . 1 1714 172 SER N N 113.74 . 1 1715 173 GLU H H 8.03 . 1 1716 173 GLU HA H 4.26 . 1 1717 173 GLU HB2 H 2.13 . 1 1718 173 GLU HB3 H 2.13 . 1 1719 173 GLU HG2 H 2.61 . 2 1720 173 GLU HG3 H 2.16 . 2 1721 173 GLU CA C 57.61 . 1 1723 173 GLU CG C 36.70 . 1 1724 173 GLU N N 120.98 . 1 1725 174 GLU H H 8.09 . 1 1726 174 GLU HA H 4.38 . 1 1727 174 GLU HB2 H 2.07 . 2 1728 174 GLU HB3 H 2.15 . 2 1729 174 GLU HG2 H 2.32 . 2 1730 174 GLU HG3 H 2.39 . 2 1731 174 GLU CA C 57.05 . 1 1732 174 GLU CB C 29.95 . 1 1733 174 GLU CG C 36.33 . 1 1734 174 GLU N N 119.15 . 1 1735 175 THR H H 8.00 . 1 1736 175 THR HA H 4.40 . 1 1737 175 THR HB H 4.28 . 1 1738 175 THR HG2 H 1.26 . 1 1739 175 THR CA C 62.47 . 1 1741 175 THR CG2 C 21.43 . 1 1742 175 THR N N 112.90 . 1 1743 176 GLY H H 8.34 . 1 1744 176 GLY HA2 H 4.07 . 1 1745 176 GLY HA3 H 4.07 . 1 1746 176 GLY CA C 45.47 . 1 1747 176 GLY N N 111.08 . 1 1748 177 SER H H 8.27 . 1 1749 177 SER HA H 4.49 . 1 1750 177 SER HB2 H 3.92 . 1 1751 177 SER HB3 H 3.92 . 1 1755 178 GLY H H 8.52 . 1 1756 178 GLY HA2 H 4.01 . 1 1757 178 GLY HA3 H 4.01 . 1 1760 179 CYS H H 7.88 . 1 1761 179 CYS HA H 4.41 . 1 1762 179 CYS HB2 H 2.94 . 1 1763 179 CYS HB3 H 2.94 . 1 stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation_one _Saveframe_category citation _Citation_full ; Delaglio, F., Grzesiek, S. Vuister, G. W., Zhu, G., Pfeifer, J. and Bax, A. J. Biomol NMR 6, 277-293 (1995). ; save_