data_11431 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF THE HMGB2 (H22Y) ; _BMRB_accession_number 11431 _BMRB_flat_file_name bmr11431.str _Entry_type original _Submission_date 2011-02-23 _Accession_date 2011-02-23 _Entry_origination author _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 KURITA J. . . 2 UEWAKI J. . . 3 SHIMAHARA H. . . 4 YOSHIDA M. . . 5 TATE S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 499 "13C chemical shifts" 312 "15N chemical shifts" 71 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-06-05 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 11429 'SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF THE HMGB2' 11430 'SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF THE HMGB2' stop_ _Original_release_date 2012-06-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'STRUCUTRAL COMPARISON OF TWO HMG-BOXES IN THE NON-HISTONE PROTEIN HMG-2 WITH IN THE HMG-1' _Citation_status 'in preparation' _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 KURITA J. . . 2 UEWAKI J. . . 3 SHIMAHARA H. . . 4 YOSHIDA M. . . 5 TATE S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HMGB2 B-domain (H22Y)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HMG2B-H22Y $HMG2B-H22Y stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic yes _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HMG2B-H22Y _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HMG2B-H22Y _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 79 _Mol_residue_sequence ; MKKKDPNAPKRPPSAFFLFC SEYRPKIKSEHPGLSIGDTA KKLGEMWSEQSAKDKQPYEQ KAAKLKEKYEKDIAAYRAK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 LYS 4 LYS 5 ASP 6 PRO 7 ASN 8 ALA 9 PRO 10 LYS 11 ARG 12 PRO 13 PRO 14 SER 15 ALA 16 PHE 17 PHE 18 LEU 19 PHE 20 CYS 21 SER 22 GLU 23 TYR 24 ARG 25 PRO 26 LYS 27 ILE 28 LYS 29 SER 30 GLU 31 HIS 32 PRO 33 GLY 34 LEU 35 SER 36 ILE 37 GLY 38 ASP 39 THR 40 ALA 41 LYS 42 LYS 43 LEU 44 GLY 45 GLU 46 MET 47 TRP 48 SER 49 GLU 50 GLN 51 SER 52 ALA 53 LYS 54 ASP 55 LYS 56 GLN 57 PRO 58 TYR 59 GLU 60 GLN 61 LYS 62 ALA 63 ALA 64 LYS 65 LEU 66 LYS 67 GLU 68 LYS 69 TYR 70 GLU 71 LYS 72 ASP 73 ILE 74 ALA 75 ALA 76 TYR 77 ARG 78 ALA 79 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 BMRB 11430 HMG2B 97.47 78 98.70 100.00 4.77e-46 PDB 1J3C "Solution Structure Of The C-Terminal Domain Of The Hmgb2" 100.00 79 100.00 100.00 4.21e-48 PDB 1J3D "Solution Structure Of The C-Terminal Domain Of The Hmgb2" 97.47 78 98.70 100.00 4.77e-46 EMBL CAA78938 "HMG2B [Homo sapiens]" 98.73 186 97.44 98.72 7.32e-45 GB EDL28622 "mCG11166, partial [Mus musculus]" 98.73 160 97.44 97.44 5.08e-45 GB EDM11073 "rCG63620, partial [Rattus norvegicus]" 98.73 198 98.72 100.00 9.21e-46 GB EGV91758 "High mobility group protein B2 [Cricetulus griseus]" 98.73 159 98.72 100.00 1.62e-46 GB ELW73033 "High mobility group protein B2 [Tupaia chinensis]" 98.73 234 98.72 100.00 7.31e-45 GB EOA95742 "High mobility group protein B2, partial [Anas platyrhynchos]" 98.73 200 97.44 100.00 3.20e-45 REF XP_002187513 "PREDICTED: high mobility group protein B2 [Taeniopygia guttata]" 98.73 145 97.44 100.00 8.54e-46 REF XP_003938773 "PREDICTED: high mobility group protein B2 [Saimiri boliviensis boliviensis]" 98.73 158 98.72 100.00 1.05e-46 REF XP_004610441 "PREDICTED: high mobility group protein B2 [Sorex araneus]" 98.73 157 100.00 100.00 2.10e-47 REF XP_006194086 "PREDICTED: high mobility group protein B2 [Camelus ferus]" 98.73 148 98.72 100.00 1.37e-46 REF XP_007171599 "PREDICTED: high mobility group protein B2-like [Balaenoptera acutorostrata scammoni]" 98.73 159 98.72 100.00 1.31e-46 TPG DAA30815 "TPA: high-mobility group box 2-like [Bos taurus]" 98.73 283 98.72 100.00 7.93e-45 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HMG2B-H22Y pig 9823 Eukaryota Metazoa Sus scrofa 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 $HMG2B-H22Y 'recombinant technology' 'E. coli' Escherichia coli . pET22b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HMG2B-H22Y 1 mM '[U-13C; U-15N]' H2O 95 % . D2O 5 % . 'sodium acetate' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 5.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name HMG2B-H22Y _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 1 MET HA H 4.06 . 1 2 1 1 MET HB2 H 2.13 . . 3 1 1 MET HG2 H 2.59 . 2 4 1 1 MET HG3 H 2.59 . 2 5 1 1 MET CA C 55.06 . 1 6 1 1 MET CB C 33.12 . 1 7 2 2 LYS H H 8.74 . 1 8 2 2 LYS HA H 4.36 . 1 9 2 2 LYS HB2 H 1.81 . . 10 2 2 LYS HD2 H 1.69 . 2 11 2 2 LYS HD3 H 1.69 . 2 12 2 2 LYS HE2 H 2.99 . 2 13 2 2 LYS HE3 H 2.99 . 2 14 2 2 LYS HG2 H 1.44 . 2 15 2 2 LYS HG3 H 1.44 . 2 16 2 2 LYS C C 171.26 . 1 17 2 2 LYS CA C 56.39 . 1 18 2 2 LYS CB C 33.19 . 1 19 2 2 LYS CD C 29.12 . 1 20 2 2 LYS CE C 41.87 . 1 21 2 2 LYS CG C 24.65 . 1 22 2 2 LYS N N 125.03 . 1 23 3 3 LYS H H 8.45 . 1 24 3 3 LYS HA H 4.27 . 1 25 3 3 LYS HB2 H 1.75 . . 26 3 3 LYS HD2 H 1.69 . 2 27 3 3 LYS HD3 H 1.69 . 2 28 3 3 LYS HE2 H 2.99 . 2 29 3 3 LYS HE3 H 2.99 . 2 30 3 3 LYS HG2 H 1.44 . 2 31 3 3 LYS HG3 H 1.44 . 2 32 3 3 LYS C C 175.29 . 1 33 3 3 LYS CA C 56.33 . 1 34 3 3 LYS CB C 33.18 . 1 35 3 3 LYS CD C 29.18 . 1 36 3 3 LYS CE C 41.91 . 1 37 3 3 LYS CG C 24.72 . 1 38 3 3 LYS N N 123.83 . 1 39 4 4 LYS H H 8.53 . 1 40 4 4 LYS HA H 4.25 . 1 41 4 4 LYS HB2 H 1.75 . . 42 4 4 LYS HD2 H 1.69 . 2 43 4 4 LYS HD3 H 1.69 . 2 44 4 4 LYS HE2 H 2.99 . 2 45 4 4 LYS HE3 H 2.99 . 2 46 4 4 LYS HG2 H 1.44 . 2 47 4 4 LYS HG3 H 1.44 . 2 48 4 4 LYS C C 174.96 . 1 49 4 4 LYS CA C 56.20 . 1 50 4 4 LYS CB C 33.18 . 1 51 4 4 LYS CD C 29.12 . 1 52 4 4 LYS CE C 41.87 . 1 53 4 4 LYS CG C 24.65 . 1 54 4 4 LYS N N 124.18 . 1 55 5 5 ASP H H 8.50 . 1 56 5 5 ASP HA H 4.88 . 1 57 5 5 ASP HB2 H 2.63 . . 58 5 5 ASP HB3 H 2.88 . . 59 5 5 ASP C C 174.96 . 1 60 5 5 ASP CA C 51.92 . 1 61 5 5 ASP CB C 41.43 . 1 62 5 5 ASP N N 124.35 . 1 63 6 6 PRO HA H 4.44 . 1 64 6 6 PRO HB2 H 2.01 . . 65 6 6 PRO HB3 H 2.30 . . 66 6 6 PRO HD2 H 3.92 . 2 67 6 6 PRO HD3 H 3.92 . 2 68 6 6 PRO HG2 H 1.98 . . 69 6 6 PRO HG3 H 2.05 . . 70 6 6 PRO CA C 63.70 . 1 71 6 6 PRO CB C 32.18 . 1 72 6 6 PRO CD C 50.96 . 1 73 6 6 PRO CG C 26.94 . 1 74 7 7 ASN H H 8.40 . 1 75 7 7 ASN HA H 4.72 . 1 76 7 7 ASN HB2 H 2.78 . . 77 7 7 ASN HB3 H 2.83 . . 78 7 7 ASN HD21 H 7.80 . . 79 7 7 ASN HD22 H 7.00 . . 80 7 7 ASN C C 175.79 . 1 81 7 7 ASN CA C 52.85 . 1 82 7 7 ASN CB C 39.19 . 1 83 7 7 ASN N N 117.68 . 1 84 8 8 ALA H H 7.68 . 1 85 8 8 ALA HA H 3.69 . 1 86 8 8 ALA HB H 1.15 . 1 87 8 8 ALA C C 173.12 . 1 88 8 8 ALA CA C 52.85 . 1 89 8 8 ALA CB C 17.48 . 1 90 8 8 ALA N N 124.70 . 1 91 9 9 PRO HA H 4.34 . 1 92 9 9 PRO HB2 H 1.85 . . 93 9 9 PRO HB3 H 2.37 . . 94 9 9 PRO HD2 H 3.04 . . 95 9 9 PRO HD3 H 3.24 . . 96 9 9 PRO HG2 H 1.67 . . 97 9 9 PRO HG3 H 1.80 . . 98 9 9 PRO CA C 62.90 . 1 99 9 9 PRO CB C 31.98 . 1 100 9 9 PRO CD C 49.96 . 1 101 9 9 PRO CG C 27.59 . 1 102 10 10 LYS H H 8.51 . 1 103 10 10 LYS HA H 4.29 . 1 104 10 10 LYS HB2 H 1.66 . . 105 10 10 LYS HB3 H 1.73 . . 106 10 10 LYS HD2 H 1.64 . 2 107 10 10 LYS HD3 H 1.64 . 2 108 10 10 LYS HE2 H 2.99 . 2 109 10 10 LYS HE3 H 2.99 . 2 110 10 10 LYS HG2 H 1.44 . 2 111 10 10 LYS HG3 H 1.44 . 2 112 10 10 LYS C C 175.00 . 1 113 10 10 LYS CA C 55.44 . 1 114 10 10 LYS CB C 33.35 . 1 115 10 10 LYS CG C 24.73 . 1 116 10 10 LYS N N 123.36 . 1 117 11 11 ARG H H 8.29 . 1 118 11 11 ARG HA H 3.41 . 1 119 11 11 ARG HB2 H 1.51 . . 120 11 11 ARG HD2 H 3.09 . 2 121 11 11 ARG HD3 H 3.09 . 2 122 11 11 ARG HG2 H 1.56 . 2 123 11 11 ARG HG3 H 1.56 . 2 124 11 11 ARG C C 174.89 . 1 125 11 11 ARG CA C 54.53 . 1 126 11 11 ARG CB C 29.08 . 1 127 11 11 ARG CG C 27.40 . 1 128 11 11 ARG N N 122.86 . 1 129 12 12 PRO HA H 4.63 . 1 130 12 12 PRO HB2 H 2.03 . . 131 12 12 PRO HB3 H 2.11 . . 132 12 12 PRO HD2 H 2.74 . . 133 12 12 PRO HD3 H 2.97 . . 134 12 12 PRO HG2 H 1.70 . . 135 12 12 PRO HG3 H 1.90 . . 136 12 12 PRO CA C 61.09 . 1 137 12 12 PRO CB C 30.92 . 1 138 12 12 PRO CD C 49.59 . 1 139 12 12 PRO CG C 26.66 . 1 140 13 13 PRO HA H 4.34 . 1 141 13 13 PRO HB2 H 1.96 . . 142 13 13 PRO HD2 H 3.51 . . 143 13 13 PRO HD3 H 3.67 . . 144 13 13 PRO HG2 H 2.00 . 2 145 13 13 PRO HG3 H 2.00 . 2 146 13 13 PRO CA C 61.85 . 1 147 13 13 PRO CB C 33.03 . 1 148 13 13 PRO CD C 50.42 . 1 149 13 13 PRO CG C 27.07 . 1 150 14 14 SER H H 7.84 . 1 151 14 14 SER HA H 4.48 . 1 152 14 14 SER HB2 H 4.03 . . 153 14 14 SER C C 174.82 . 1 154 14 14 SER CA C 56.47 . 1 155 14 14 SER CB C 65.75 . 1 156 14 14 SER N N 114.56 . 1 157 15 15 ALA H H 9.02 . 1 158 15 15 ALA HA H 4.05 . 1 159 15 15 ALA HB H 1.64 . 1 160 15 15 ALA C C 173.59 . 1 161 15 15 ALA CA C 55.96 . 1 162 15 15 ALA CB C 18.84 . 1 163 15 15 ALA N N 122.74 . 1 164 16 16 PHE H H 8.37 . 1 165 16 16 PHE HA H 4.44 . 1 166 16 16 PHE HB2 H 2.48 . . 167 16 16 PHE HB3 H 2.84 . . 168 16 16 PHE HD1 H 6.27 . 3 169 16 16 PHE HD2 H 6.27 . 3 170 16 16 PHE HE1 H 7.10 . 3 171 16 16 PHE HE2 H 7.10 . 3 172 16 16 PHE HZ H 7.07 . 1 173 16 16 PHE C C 177.56 . 1 174 16 16 PHE CA C 58.86 . 1 175 16 16 PHE CB C 38.72 . 1 176 16 16 PHE N N 116.00 . 1 177 17 17 PHE H H 8.14 . 1 178 17 17 PHE HA H 3.70 . 1 179 17 17 PHE HB2 H 3.17 . . 180 17 17 PHE HB3 H 3.31 . . 181 17 17 PHE HD1 H 7.09 . 3 182 17 17 PHE HD2 H 7.09 . 3 183 17 17 PHE HE1 H 7.33 . 3 184 17 17 PHE HE2 H 7.33 . 3 185 17 17 PHE HZ H 7.29 . 1 186 17 17 PHE C C 176.30 . 1 187 17 17 PHE CA C 61.91 . 1 188 17 17 PHE CB C 38.89 . 1 189 17 17 PHE N N 122.76 . 1 190 18 18 LEU H H 8.24 . 1 191 18 18 LEU HA H 4.09 . 1 192 18 18 LEU HB2 H 1.81 . . 193 18 18 LEU HB3 H 2.52 . . 194 18 18 LEU HD1 H 0.96 . . 195 18 18 LEU HD2 H 1.02 . . 196 18 18 LEU HG H 1.08 . 1 197 18 18 LEU C C 178.00 . 1 198 18 18 LEU CA C 58.14 . 1 199 18 18 LEU CB C 42.14 . 1 200 18 18 LEU CD1 C 22.02 . . 201 18 18 LEU CD2 C 22.23 . . 202 18 18 LEU CG C 26.64 . 1 203 18 18 LEU N N 121.00 . 1 204 19 19 PHE H H 8.13 . 1 205 19 19 PHE HA H 3.79 . 1 206 19 19 PHE HB2 H 2.12 . . 207 19 19 PHE HB3 H 2.71 . . 208 19 19 PHE HD1 H 6.84 . 3 209 19 19 PHE HD2 H 6.84 . 3 210 19 19 PHE HE1 H 7.16 . 3 211 19 19 PHE HE2 H 7.16 . 3 212 19 19 PHE HZ H 6.66 . 1 213 19 19 PHE C C 176.09 . 1 214 19 19 PHE CA C 61.51 . 1 215 19 19 PHE CB C 39.27 . 1 216 19 19 PHE N N 123.63 . 1 217 20 20 CYS H H 8.44 . 1 218 20 20 CYS HA H 3.64 . 1 219 20 20 CYS HB2 H 2.14 . . 220 20 20 CYS HB3 H 2.53 . . 221 20 20 CYS C C 176.66 . 1 222 20 20 CYS CA C 63.95 . 1 223 20 20 CYS CB C 26.44 . 1 224 20 20 CYS N N 118.28 . 1 225 21 21 SER H H 8.05 . 1 226 21 21 SER HA H 3.88 . 1 227 21 21 SER HB2 H 3.79 . . 228 21 21 SER C C 175.39 . 1 229 21 21 SER CA C 61.43 . 1 230 21 21 SER CB C 62.42 . 1 231 21 21 SER N N 114.84 . 1 232 22 22 GLU H H 7.13 . 1 233 22 22 GLU HA H 4.08 . 1 234 22 22 GLU HB2 H 2.00 . . 235 22 22 GLU HB3 H 2.07 . . 236 22 22 GLU HG2 H 1.85 . . 237 22 22 GLU HG3 H 2.09 . . 238 22 22 GLU C C 174.36 . 1 239 22 22 GLU CA C 58.02 . 1 240 22 22 GLU CB C 29.71 . 1 241 22 22 GLU CG C 35.72 . 1 242 22 22 GLU N N 119.05 . 1 243 23 23 TYR H H 7.98 . 1 244 23 23 TYR HA H 4.08 . 1 245 23 23 TYR HB2 H 2.00 . . 246 23 23 TYR HB3 H 2.53 . . 247 23 23 TYR HD1 H 6.58 . 3 248 23 23 TYR HD2 H 6.58 . 3 249 23 23 TYR HE1 H 6.81 . 3 250 23 23 TYR HE2 H 6.81 . 3 251 23 23 TYR C C 176.95 . 1 252 23 23 TYR CA C 61.70 . 1 253 23 23 TYR CB C 39.46 . 1 254 23 23 TYR N N 115.05 . 1 255 24 24 ARG H H 9.03 . 1 256 24 24 ARG HA H 3.93 . 1 257 24 24 ARG HB2 H 1.86 . . 258 24 24 ARG HD2 H 3.20 . 2 259 24 24 ARG HD3 H 3.20 . 2 260 24 24 ARG HG2 H 1.52 . 2 261 24 24 ARG HG3 H 1.52 . 2 262 24 24 ARG C C 176.07 . 1 263 24 24 ARG CA C 62.43 . 1 264 24 24 ARG CB C 27.39 . 1 265 24 24 ARG CD C 42.89 . 1 266 24 24 ARG CG C 28.92 . 1 267 24 24 ARG N N 123.23 . 1 268 25 25 PRO HA H 4.26 . 1 269 25 25 PRO HB2 H 1.77 . . 270 25 25 PRO HB3 H 2.28 . . 271 25 25 PRO HD2 H 3.49 . 2 272 25 25 PRO HD3 H 3.49 . 2 273 25 25 PRO HG2 H 1.99 . 2 274 25 25 PRO HG3 H 1.99 . 2 275 25 25 PRO CA C 65.56 . 1 276 25 25 PRO CB C 30.91 . 1 277 25 25 PRO CD C 50.44 . 1 278 25 25 PRO CG C 28.15 . 1 279 26 26 LYS H H 6.73 . 1 280 26 26 LYS HA H 4.11 . 1 281 26 26 LYS HB2 H 1.98 . . 282 26 26 LYS HD2 H 1.66 . 2 283 26 26 LYS HD3 H 1.66 . 2 284 26 26 LYS HE2 H 2.99 . 2 285 26 26 LYS HE3 H 2.99 . 2 286 26 26 LYS HG2 H 1.54 . 2 287 26 26 LYS HG3 H 1.54 . 2 288 26 26 LYS C C 178.29 . 1 289 26 26 LYS CA C 59.07 . 1 290 26 26 LYS CB C 32.40 . 1 291 26 26 LYS CD C 29.31 . 1 292 26 26 LYS CE C 41.76 . 1 293 26 26 LYS CG C 25.13 . 1 294 26 26 LYS N N 117.44 . 1 295 27 27 ILE H H 8.12 . 1 296 27 27 ILE HA H 4.00 . 1 297 27 27 ILE HB H 2.01 . 1 298 27 27 ILE HD1 H 0.93 . 1 299 27 27 ILE HG12 H 1.27 . . 300 27 27 ILE HG13 H 1.71 . . 301 27 27 ILE HG2 H 1.03 . 1 302 27 27 ILE C C 177.92 . 1 303 27 27 ILE CA C 64.20 . 1 304 27 27 ILE CB C 37.82 . 1 305 27 27 ILE CD1 C 13.59 . 1 306 27 27 ILE CG1 C 28.61 . 1 307 27 27 ILE CG2 C 18.43 . 1 308 27 27 ILE N N 119.32 . 1 309 28 28 LYS H H 7.93 . 1 310 28 28 LYS HA H 4.04 . 1 311 28 28 LYS HB2 H 1.82 . . 312 28 28 LYS HD2 H 1.41 . 2 313 28 28 LYS HD3 H 1.41 . 2 314 28 28 LYS HE2 H 3.00 . 2 315 28 28 LYS HE3 H 3.00 . 2 316 28 28 LYS HG2 H 1.56 . 2 317 28 28 LYS HG3 H 1.56 . 2 318 28 28 LYS C C 177.14 . 1 319 28 28 LYS CA C 58.46 . 1 320 28 28 LYS CB C 31.56 . 1 321 28 28 LYS CD C 28.60 . 1 322 28 28 LYS CE C 41.60 . 1 323 28 28 LYS CG C 24.50 . 1 324 28 28 LYS N N 118.84 . 1 325 29 29 SER H H 7.57 . 1 326 29 29 SER HA H 4.19 . 1 327 29 29 SER HB2 H 3.95 . . 328 29 29 SER C C 177.26 . 1 329 29 29 SER CA C 60.76 . 1 330 29 29 SER CB C 62.98 . 1 331 29 29 SER N N 112.24 . 1 332 30 30 GLU H H 7.62 . 1 333 30 30 GLU HA H 4.04 . 1 334 30 30 GLU HB2 H 1.70 . . 335 30 30 GLU HB3 H 1.90 . . 336 30 30 GLU HG2 H 2.02 . . 337 30 30 GLU HG3 H 2.35 . . 338 30 30 GLU C C 175.08 . 1 339 30 30 GLU CA C 57.59 . 1 340 30 30 GLU CB C 30.75 . 1 341 30 30 GLU CG C 36.48 . 1 342 30 30 GLU N N 118.73 . 1 343 31 31 HIS H H 8.08 . 1 344 31 31 HIS HA H 5.02 . 1 345 31 31 HIS HB2 H 3.08 . . 346 31 31 HIS HB3 H 3.22 . . 347 31 31 HIS HD1 H 8.28 . 1 348 31 31 HIS HE1 H 7.18 . 1 349 31 31 HIS C C 175.47 . 1 350 31 31 HIS CA C 52.46 . 1 351 31 31 HIS CB C 29.09 . 1 352 31 31 HIS N N 115.34 . 1 353 32 32 PRO HA H 4.56 . 1 354 32 32 PRO HB2 H 1.96 . . 355 32 32 PRO HB3 H 2.38 . . 356 32 32 PRO HD2 H 3.37 . . 357 32 32 PRO HD3 H 3.58 . . 358 32 32 PRO HG2 H 2.00 . 2 359 32 32 PRO HG3 H 2.00 . 2 360 32 32 PRO CA C 64.46 . 1 361 32 32 PRO CB C 31.75 . 1 362 32 32 PRO CD C 50.32 . 1 363 32 32 PRO CG C 27.32 . 1 364 33 33 GLY H H 8.73 . 1 365 33 33 GLY HA2 H 3.82 . . 366 33 33 GLY HA3 H 4.01 . . 367 33 33 GLY C C 177.19 . 1 368 33 33 GLY CA C 45.20 . 1 369 33 33 GLY N N 108.16 . 1 370 34 34 LEU H H 7.52 . 1 371 34 34 LEU HA H 4.35 . 1 372 34 34 LEU HB2 H 1.64 . . 373 34 34 LEU HB3 H 1.69 . . 374 34 34 LEU HD1 H 0.77 . . 375 34 34 LEU HD2 H 0.83 . . 376 34 34 LEU HG H 1.81 . 1 377 34 34 LEU C C 173.77 . 1 378 34 34 LEU CA C 55.33 . 1 379 34 34 LEU CB C 43.05 . 1 380 34 34 LEU CD1 C 24.58 . . 381 34 34 LEU CD2 C 25.03 . . 382 34 34 LEU N N 122.43 . 1 383 35 35 SER H H 9.35 . 1 384 35 35 SER HA H 4.47 . 1 385 35 35 SER HB2 H 4.17 . . 386 35 35 SER HB3 H 4.38 . . 387 35 35 SER C C 177.07 . 1 388 35 35 SER CA C 57.45 . 1 389 35 35 SER CB C 65.13 . 1 390 35 35 SER N N 121.56 . 1 391 36 36 ILE H H 9.12 . 1 392 36 36 ILE HA H 3.87 . 1 393 36 36 ILE HB H 1.88 . 1 394 36 36 ILE HD1 H 0.94 . 1 395 36 36 ILE HG12 H 1.69 . . 396 36 36 ILE HG13 H 1.27 . . 397 36 36 ILE HG2 H 0.98 . 1 398 36 36 ILE C C 175.46 . 1 399 36 36 ILE CA C 65.28 . 1 400 36 36 ILE CB C 38.02 . 1 401 36 36 ILE CD1 C 12.87 . 1 402 36 36 ILE CG1 C 28.58 . 1 403 36 36 ILE CG2 C 16.96 . 1 404 36 36 ILE N N 124.55 . 1 405 37 37 GLY H H 8.92 . 1 406 37 37 GLY HA2 H 3.94 . . 407 37 37 GLY C C 178.61 . 1 408 37 37 GLY CA C 46.90 . 1 409 37 37 GLY N N 110.01 . 1 410 38 38 ASP H H 8.15 . 1 411 38 38 ASP HA H 4.57 . 1 412 38 38 ASP HB2 H 2.59 . . 413 38 38 ASP HB3 H 2.79 . . 414 38 38 ASP C C 176.10 . 1 415 38 38 ASP CA C 57.14 . 1 416 38 38 ASP CB C 39.99 . 1 417 38 38 ASP N N 123.40 . 1 418 39 39 THR H H 8.53 . 1 419 39 39 THR HA H 4.40 . 1 420 39 39 THR HB H 3.78 . 1 421 39 39 THR HG2 H 1.18 . 1 422 39 39 THR C C 178.53 . 1 423 39 39 THR CA C 67.68 . 1 424 39 39 THR CG2 C 20.87 . 1 425 39 39 THR N N 120.74 . 1 426 40 40 ALA H H 7.83 . 1 427 40 40 ALA HA H 4.14 . 1 428 40 40 ALA HB H 1.60 . 1 429 40 40 ALA C C 174.13 . 1 430 40 40 ALA CA C 55.63 . 1 431 40 40 ALA CB C 17.89 . 1 432 40 40 ALA N N 123.63 . 1 433 41 41 LYS H H 7.96 . 1 434 41 41 LYS HA H 4.11 . 1 435 41 41 LYS HB2 H 1.99 . . 436 41 41 LYS HD2 H 1.70 . 2 437 41 41 LYS HD3 H 1.70 . 2 438 41 41 LYS HE2 H 2.98 . 2 439 41 41 LYS HE3 H 2.98 . 2 440 41 41 LYS HG2 H 1.55 . 2 441 41 41 LYS HG3 H 1.55 . 2 442 41 41 LYS C C 180.13 . 1 443 41 41 LYS CA C 59.52 . 1 444 41 41 LYS CB C 32.80 . 1 445 41 41 LYS CD C 29.44 . 1 446 41 41 LYS CE C 41.80 . 1 447 41 41 LYS CG C 24.92 . 1 448 41 41 LYS N N 119.71 . 1 449 42 42 LYS H H 8.02 . 1 450 42 42 LYS HA H 4.24 . 1 451 42 42 LYS HB2 H 1.98 . . 452 42 42 LYS HD2 H 1.69 . 2 453 42 42 LYS HD3 H 1.69 . 2 454 42 42 LYS HE2 H 2.99 . 2 455 42 42 LYS HE3 H 2.99 . 2 456 42 42 LYS HG2 H 1.46 . 2 457 42 42 LYS HG3 H 1.46 . 2 458 42 42 LYS C C 178.21 . 1 459 42 42 LYS CA C 58.50 . 1 460 42 42 LYS CB C 31.76 . 1 461 42 42 LYS CD C 28.29 . 1 462 42 42 LYS CG C 24.89 . 1 463 42 42 LYS N N 120.84 . 1 464 43 43 LEU H H 8.47 . 1 465 43 43 LEU HA H 4.31 . 1 466 43 43 LEU HB2 H 1.87 . . 467 43 43 LEU HB3 H 2.12 . . 468 43 43 LEU HD1 H 0.85 . . 469 43 43 LEU HD2 H 0.78 . . 470 43 43 LEU HG H 1.60 . 1 471 43 43 LEU C C 177.89 . 1 472 43 43 LEU CA C 58.56 . 1 473 43 43 LEU CB C 41.52 . 1 474 43 43 LEU CD1 C 24.58 . . 475 43 43 LEU CD2 C 26.39 . . 476 43 43 LEU N N 119.74 . 1 477 44 44 GLY H H 8.21 . 1 478 44 44 GLY HA2 H 3.92 . . 479 44 44 GLY HA3 H 4.07 . . 480 44 44 GLY C C 178.80 . 1 481 44 44 GLY CA C 47.61 . 1 482 44 44 GLY N N 105.58 . 1 483 45 45 GLU H H 8.16 . 1 484 45 45 GLU HA H 4.07 . 1 485 45 45 GLU HB2 H 2.11 . . 486 45 45 GLU HB3 H 2.35 . . 487 45 45 GLU HG2 H 2.25 . . 488 45 45 GLU HG3 H 2.50 . . 489 45 45 GLU C C 176.00 . 1 490 45 45 GLU CA C 59.21 . 1 491 45 45 GLU CB C 29.24 . 1 492 45 45 GLU CG C 36.36 . 1 493 45 45 GLU N N 124.20 . 1 494 46 46 MET H H 8.83 . 1 495 46 46 MET HA H 4.11 . 1 496 46 46 MET HB2 H 2.38 . . 497 46 46 MET HB3 H 2.43 . . 498 46 46 MET HG2 H 2.86 . . 499 46 46 MET HG3 H 2.61 . . 500 46 46 MET C C 178.45 . 1 501 46 46 MET CA C 59.30 . 1 502 46 46 MET CB C 34.17 . 1 503 46 46 MET N N 119.35 . 1 504 47 47 TRP H H 8.55 . 1 505 47 47 TRP HA H 3.86 . 1 506 47 47 TRP HB2 H 3.20 . . 507 47 47 TRP HD1 H 6.84 . 1 508 47 47 TRP HE1 H 10.06 . 1 509 47 47 TRP HE3 H 5.59 . 1 510 47 47 TRP HH2 H 7.07 . 1 511 47 47 TRP HZ2 H 7.53 . 1 512 47 47 TRP HZ3 H 6.51 . 1 513 47 47 TRP C C 178.55 . 1 514 47 47 TRP CA C 59.47 . 1 515 47 47 TRP CB C 30.88 . 1 516 47 47 TRP N N 120.60 . 1 517 48 48 SER H H 7.83 . 1 518 48 48 SER HA H 4.03 . 1 519 48 48 SER HB2 H 3.97 . . 520 48 48 SER C C 177.11 . 1 521 48 48 SER CA C 61.03 . 1 522 48 48 SER CB C 63.00 . 1 523 48 48 SER N N 113.17 . 1 524 49 49 GLU H H 7.35 . 1 525 49 49 GLU HA H 4.18 . 1 526 49 49 GLU HB2 H 2.04 . . 527 49 49 GLU HB3 H 2.12 . . 528 49 49 GLU HG2 H 2.31 . . 529 49 49 GLU HG3 H 2.41 . . 530 49 49 GLU C C 174.29 . 1 531 49 49 GLU CA C 56.10 . 1 532 49 49 GLU CB C 30.19 . 1 533 49 49 GLU CG C 36.07 . 1 534 49 49 GLU N N 118.06 . 1 535 50 50 GLN H H 7.14 . 1 536 50 50 GLN HA H 4.23 . 1 537 50 50 GLN HB2 H 1.54 . . 538 50 50 GLN HB3 H 1.88 . . 539 50 50 GLN HE21 H 16.88 . . 540 50 50 GLN HE22 H 26.58 . . 541 50 50 GLN HG2 H 2.00 . . 542 50 50 GLN HG3 H 2.67 . . 543 50 50 GLN C C 175.69 . 1 544 50 50 GLN CA C 55.17 . 1 545 50 50 GLN CB C 29.62 . 1 546 50 50 GLN CG C 33.80 . 1 547 50 50 GLN N N 119.55 . 1 548 51 51 SER H H 9.32 . 1 549 51 51 SER HA H 4.31 . 1 550 51 51 SER HB2 H 4.07 . . 551 51 51 SER C C 175.38 . 1 552 51 51 SER CA C 57.45 . 1 553 51 51 SER CB C 64.94 . 1 554 51 51 SER N N 121.13 . 1 555 52 52 ALA H H 8.81 . 1 556 52 52 ALA HA H 3.90 . 1 557 52 52 ALA HB H 1.43 . 1 558 52 52 ALA C C 173.43 . 1 559 52 52 ALA CA C 55.85 . 1 560 52 52 ALA CB C 17.78 . 1 561 52 52 ALA N N 123.43 . 1 562 53 53 LYS H H 8.19 . 1 563 53 53 LYS HA H 4.07 . 1 564 53 53 LYS HB2 H 1.71 . . 565 53 53 LYS HB3 H 1.85 . . 566 53 53 LYS HD2 H 1.63 . 2 567 53 53 LYS HD3 H 1.63 . 2 568 53 53 LYS HE2 H 2.98 . 2 569 53 53 LYS HE3 H 2.98 . 2 570 53 53 LYS HG2 H 1.43 . 2 571 53 53 LYS HG3 H 1.43 . 2 572 53 53 LYS C C 180.07 . 1 573 53 53 LYS CA C 59.09 . 1 574 53 53 LYS CB C 32.18 . 1 575 53 53 LYS CD C 29.32 . 1 576 53 53 LYS CE C 41.87 . 1 577 53 53 LYS CG C 24.61 . 1 578 53 53 LYS N N 117.61 . 1 579 54 54 ASP H H 7.66 . 1 580 54 54 ASP HA H 4.64 . 1 581 54 54 ASP HB2 H 2.84 . . 582 54 54 ASP HB3 H 3.05 . . 583 54 54 ASP C C 177.53 . 1 584 54 54 ASP CA C 56.54 . 1 585 54 54 ASP CB C 40.54 . 1 586 54 54 ASP N N 120.33 . 1 587 55 55 LYS H H 7.96 . 1 588 55 55 LYS HA H 4.34 . 1 589 55 55 LYS HB2 H 1.66 . . 590 55 55 LYS HB3 H 1.70 . . 591 55 55 LYS HD2 H 2.99 . 2 592 55 55 LYS HD3 H 2.99 . 2 593 55 55 LYS HG2 H 0.87 . . 594 55 55 LYS HG3 H 1.11 . . 595 55 55 LYS C C 177.76 . 1 596 55 55 LYS CA C 59.29 . 1 597 55 55 LYS CB C 33.91 . 1 598 55 55 LYS N N 117.35 . 1 599 56 56 GLN H H 7.55 . 1 600 56 56 GLN HA H 4.36 . 1 601 56 56 GLN HB2 H 2.34 . . 602 56 56 GLN HE21 H 7.55 . . 603 56 56 GLN HE22 H 6.86 . . 604 56 56 GLN HG2 H 2.45 . . 605 56 56 GLN HG3 H 2.63 . . 606 56 56 GLN C C 177.60 . 1 607 56 56 GLN CA C 60.96 . 1 608 56 56 GLN CB C 26.79 . 1 609 56 56 GLN CG C 33.97 . 1 610 56 56 GLN N N 119.28 . 1 611 57 57 PRO HA H 4.35 . 1 612 57 57 PRO HB2 H 1.37 . . 613 57 57 PRO HB3 H 2.25 . . 614 57 57 PRO HD2 H 3.85 . 2 615 57 57 PRO HD3 H 3.85 . 2 616 57 57 PRO HG2 H 2.04 . 2 617 57 57 PRO HG3 H 2.04 . 2 618 57 57 PRO CA C 66.31 . 1 619 57 57 PRO CB C 31.15 . 1 620 57 57 PRO CD C 50.24 . 1 621 57 57 PRO CG C 28.69 . 1 622 58 58 TYR H H 7.19 . 1 623 58 58 TYR HA H 4.26 . 1 624 58 58 TYR HB2 H 3.17 . . 625 58 58 TYR HB3 H 3.31 . . 626 58 58 TYR HD1 H 7.49 . 3 627 58 58 TYR HD2 H 7.49 . 3 628 58 58 TYR HE1 H 7.27 . 3 629 58 58 TYR HE2 H 7.27 . 3 630 58 58 TYR C C 179.03 . 1 631 58 58 TYR CA C 61.66 . 1 632 58 58 TYR CB C 38.41 . 1 633 58 58 TYR N N 115.89 . 1 634 59 59 GLU H H 8.20 . 1 635 59 59 GLU HA H 4.27 . 1 636 59 59 GLU HB2 H 2.12 . . 637 59 59 GLU HB3 H 2.36 . . 638 59 59 GLU HG2 H 2.37 . . 639 59 59 GLU HG3 H 2.55 . . 640 59 59 GLU C C 177.10 . 1 641 59 59 GLU CA C 59.43 . 1 642 59 59 GLU CB C 29.35 . 1 643 59 59 GLU CG C 36.01 . 1 644 59 59 GLU N N 119.49 . 1 645 60 60 GLN H H 9.18 . 1 646 60 60 GLN HA H 4.20 . 1 647 60 60 GLN HB2 H 2.09 . . 648 60 60 GLN HB3 H 2.21 . . 649 60 60 GLN HE21 H 7.55 . . 650 60 60 GLN HE22 H 6.86 . . 651 60 60 GLN HG2 H 2.44 . . 652 60 60 GLN HG3 H 2.60 . . 653 60 60 GLN C C 179.48 . 1 654 60 60 GLN CA C 58.99 . 1 655 60 60 GLN CB C 28.26 . 1 656 60 60 GLN CG C 34.18 . 1 657 60 60 GLN N N 120.43 . 1 658 61 61 LYS H H 7.81 . 1 659 61 61 LYS HA H 4.11 . 1 660 61 61 LYS HB2 H 1.99 . . 661 61 61 LYS HD2 H 1.71 . 2 662 61 61 LYS HD3 H 1.71 . 2 663 61 61 LYS HE2 H 2.93 . 2 664 61 61 LYS HE3 H 2.93 . 2 665 61 61 LYS HG2 H 1.46 . 2 666 61 61 LYS HG3 H 1.46 . 2 667 61 61 LYS C C 177.96 . 1 668 61 61 LYS CA C 59.76 . 1 669 61 61 LYS CB C 32.72 . 1 670 61 61 LYS CD C 29.39 . 1 671 61 61 LYS CE C 41.87 . 1 672 61 61 LYS CG C 25.32 . 1 673 61 61 LYS N N 120.72 . 1 674 62 62 ALA H H 8.39 . 1 675 62 62 ALA HA H 4.01 . 1 676 62 62 ALA HB H 1.64 . 1 677 62 62 ALA C C 177.95 . 1 678 62 62 ALA CA C 55.82 . 1 679 62 62 ALA CB C 17.88 . 1 680 62 62 ALA N N 120.84 . 1 681 63 63 ALA H H 8.32 . 1 682 63 63 ALA HA H 4.27 . 1 683 63 63 ALA HB H 1.64 . 1 684 63 63 ALA C C 177.95 . 1 685 63 63 ALA CA C 55.51 . 1 686 63 63 ALA CB C 17.97 . 1 687 63 63 ALA N N 122.13 . 1 688 64 64 LYS H H 8.00 . 1 689 64 64 LYS HA H 4.24 . 1 690 64 64 LYS HB2 H 1.99 . . 691 64 64 LYS HB3 H 2.09 . . 692 64 64 LYS HD2 H 1.72 . 2 693 64 64 LYS HD3 H 1.72 . 2 694 64 64 LYS HE2 H 2.97 . 2 695 64 64 LYS HE3 H 2.97 . 2 696 64 64 LYS HG2 H 1.45 . 2 697 64 64 LYS HG3 H 1.45 . 2 698 64 64 LYS C C 179.80 . 1 699 64 64 LYS CA C 58.89 . 1 700 64 64 LYS CB C 31.90 . 1 701 64 64 LYS CD C 28.29 . 1 702 64 64 LYS CE C 41.45 . 1 703 64 64 LYS CG C 24.89 . 1 704 64 64 LYS N N 120.34 . 1 705 65 65 LEU H H 8.24 . 1 706 65 65 LEU HA H 4.23 . 1 707 65 65 LEU HB2 H 1.51 . . 708 65 65 LEU HB3 H 2.02 . . 709 65 65 LEU HD1 H 0.95 . . 710 65 65 LEU HD2 H 0.99 . . 711 65 65 LEU HG H 1.68 . 1 712 65 65 LEU C C 179.40 . 1 713 65 65 LEU CA C 57.74 . 1 714 65 65 LEU CB C 41.72 . 1 715 65 65 LEU CD1 C 22.10 . . 716 65 65 LEU CD2 C 26.38 . . 717 65 65 LEU CG C 26.46 . 1 718 65 65 LEU N N 120.07 . 1 719 66 66 LYS H H 8.36 . 1 720 66 66 LYS HA H 4.07 . 1 721 66 66 LYS HB2 H 1.98 . . 722 66 66 LYS HB3 H 2.17 . . 723 66 66 LYS HD2 H 1.77 . 2 724 66 66 LYS HD3 H 1.77 . 2 725 66 66 LYS HE2 H 3.06 . 2 726 66 66 LYS HE3 H 3.06 . 2 727 66 66 LYS HG2 H 1.51 . . 728 66 66 LYS HG3 H 1.72 . . 729 66 66 LYS C C 179.16 . 1 730 66 66 LYS CA C 60.09 . 1 731 66 66 LYS CB C 32.13 . 1 732 66 66 LYS CD C 29.41 . 1 733 66 66 LYS CE C 41.86 . 1 734 66 66 LYS CG C 24.93 . 1 735 66 66 LYS N N 123.46 . 1 736 67 67 GLU H H 8.08 . 1 737 67 67 GLU HA H 4.14 . 1 738 67 67 GLU HB2 H 2.24 . . 739 67 67 GLU HG2 H 2.26 . . 740 67 67 GLU HG3 H 2.46 . . 741 67 67 GLU C C 176.38 . 1 742 67 67 GLU CA C 59.43 . 1 743 67 67 GLU CB C 29.66 . 1 744 67 67 GLU CG C 36.33 . 1 745 67 67 GLU N N 119.86 . 1 746 68 68 LYS H H 7.71 . 1 747 68 68 LYS HA H 4.11 . 1 748 68 68 LYS HB2 H 1.98 . . 749 68 68 LYS HD2 H 1.72 . 2 750 68 68 LYS HD3 H 1.72 . 2 751 68 68 LYS HE2 H 2.99 . 2 752 68 68 LYS HE3 H 2.99 . 2 753 68 68 LYS HG2 H 1.44 . 2 754 68 68 LYS HG3 H 1.44 . 2 755 68 68 LYS C C 178.13 . 1 756 68 68 LYS CA C 59.36 . 1 757 68 68 LYS CB C 32.47 . 1 758 68 68 LYS N N 119.48 . 1 759 69 69 TYR H H 8.05 . 1 760 69 69 TYR HA H 4.42 . 1 761 69 69 TYR HB2 H 3.21 . . 762 69 69 TYR HB3 H 3.27 . . 763 69 69 TYR HD1 H 7.09 . 3 764 69 69 TYR HD2 H 7.09 . 3 765 69 69 TYR HE1 H 6.61 . 3 766 69 69 TYR HE2 H 6.61 . 3 767 69 69 TYR C C 176.59 . 1 768 69 69 TYR CA C 61.22 . 1 769 69 69 TYR CB C 38.47 . 1 770 69 69 TYR N N 120.30 . 1 771 70 70 GLU H H 8.45 . 1 772 70 70 GLU HA H 3.77 . 1 773 70 70 GLU HB2 H 2.02 . . 774 70 70 GLU HB3 H 2.18 . . 775 70 70 GLU HG2 H 2.44 . . 776 70 70 GLU HG3 H 2.71 . . 777 70 70 GLU C C 175.70 . 1 778 70 70 GLU CA C 59.23 . 1 779 70 70 GLU CB C 28.87 . 1 780 70 70 GLU CG C 37.10 . 1 781 70 70 GLU N N 117.28 . 1 782 71 71 LYS H H 7.72 . 1 783 71 71 LYS HA H 4.11 . 1 784 71 71 LYS HB2 H 1.98 . . 785 71 71 LYS HD2 H 1.72 . 2 786 71 71 LYS HD3 H 1.72 . 2 787 71 71 LYS HE2 H 2.99 . 2 788 71 71 LYS HE3 H 2.99 . 2 789 71 71 LYS HG2 H 1.44 . 2 790 71 71 LYS HG3 H 1.44 . 2 791 71 71 LYS C C 179.07 . 1 792 71 71 LYS CA C 59.18 . 1 793 71 71 LYS CB C 32.46 . 1 794 71 71 LYS CD C 29.20 . 1 795 71 71 LYS CE C 41.84 . 1 796 71 71 LYS CG C 25.13 . 1 797 71 71 LYS N N 120.34 . 1 798 72 72 ASP H H 8.73 . 1 799 72 72 ASP HA H 4.44 . 1 800 72 72 ASP HB2 H 2.50 . . 801 72 72 ASP HB3 H 2.84 . . 802 72 72 ASP C C 178.17 . 1 803 72 72 ASP CA C 57.19 . 1 804 72 72 ASP CB C 39.82 . 1 805 72 72 ASP N N 122.53 . 1 806 73 73 ILE H H 8.82 . 1 807 73 73 ILE HA H 3.97 . 1 808 73 73 ILE HB H 1.48 . 1 809 73 73 ILE HD1 H 0.71 . 1 810 73 73 ILE HG12 H 1.10 . 2 811 73 73 ILE HG13 H 1.10 . 2 812 73 73 ILE HG2 H 0.73 . 1 813 73 73 ILE C C 178.92 . 1 814 73 73 ILE CA C 62.17 . 1 815 73 73 ILE CB C 37.14 . 1 816 73 73 ILE CD1 C 12.52 . 1 817 73 73 ILE CG1 C 27.68 . 1 818 73 73 ILE CG2 C 17.98 . 1 819 73 73 ILE N N 120.85 . 1 820 74 74 ALA H H 7.33 . 1 821 74 74 ALA HA H 4.16 . 1 822 74 74 ALA HB H 1.50 . 1 823 74 74 ALA C C 176.47 . 1 824 74 74 ALA CA C 54.55 . 1 825 74 74 ALA CB C 18.07 . 1 826 74 74 ALA N N 124.11 . 1 827 75 75 ALA H H 7.59 . 1 828 75 75 ALA HA H 4.25 . 1 829 75 75 ALA HB H 1.48 . 1 830 75 75 ALA C C 178.58 . 1 831 75 75 ALA CA C 53.59 . 1 832 75 75 ALA CB C 18.78 . 1 833 75 75 ALA N N 119.33 . 1 834 76 76 TYR H H 7.88 . 1 835 76 76 TYR HA H 4.30 . 1 836 76 76 TYR HB2 H 3.07 . . 837 76 76 TYR HB3 H 3.15 . . 838 76 76 TYR HD1 H 7.12 . 3 839 76 76 TYR HD2 H 7.12 . 3 840 76 76 TYR HE1 H 6.80 . 3 841 76 76 TYR HE2 H 6.80 . 3 842 76 76 TYR C C 177.76 . 1 843 76 76 TYR CA C 59.75 . 1 844 76 76 TYR CB C 38.84 . 1 845 76 76 TYR N N 119.63 . 1 846 77 77 ARG H H 7.87 . 1 847 77 77 ARG HA H 4.14 . 1 848 77 77 ARG HB2 H 1.75 . . 849 77 77 ARG HB3 H 1.85 . . 850 77 77 ARG HD2 H 3.17 . 2 851 77 77 ARG HD3 H 3.17 . 2 852 77 77 ARG HG2 H 1.65 . . 853 77 77 ARG HG3 H 1.75 . . 854 77 77 ARG C C 175.38 . 1 855 77 77 ARG CA C 56.19 . 1 856 77 77 ARG CB C 30.85 . 1 857 77 77 ARG CD C 43.34 . 1 858 77 77 ARG CG C 27.32 . 1 859 77 77 ARG N N 120.82 . 1 860 78 78 ALA H H 7.70 . 1 861 78 78 ALA HA H 4.23 . 1 862 78 78 ALA HB H 1.42 . 1 863 78 78 ALA C C 174.57 . 1 864 78 78 ALA CA C 52.64 . 1 865 78 78 ALA CB C 19.27 . 1 866 78 78 ALA N N 124.21 . 1 867 79 79 LYS H H 7.69 . 1 868 79 79 LYS HA H 4.09 . 1 869 79 79 LYS HB2 H 1.71 . . 870 79 79 LYS HB3 H 1.79 . . 871 79 79 LYS HD2 H 1.65 . 2 872 79 79 LYS HD3 H 1.65 . 2 873 79 79 LYS HE2 H 2.97 . 2 874 79 79 LYS HE3 H 2.97 . 2 875 79 79 LYS HG2 H 1.41 . 2 876 79 79 LYS HG3 H 1.41 . 2 877 79 79 LYS CA C 57.81 . 1 878 79 79 LYS CB C 33.61 . 1 879 79 79 LYS CD C 29.45 . 1 880 79 79 LYS CE C 42.01 . 1 881 79 79 LYS CG C 24.72 . 1 882 79 79 LYS N N 125.28 . 1 stop_ save_