data_11430 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF THE HMGB2 ; _BMRB_accession_number 11430 _BMRB_flat_file_name bmr11430.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" 494 "13C chemical shifts" 276 "15N chemical shifts" 75 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' 11431 'SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF THE HMGB2 (H22Y)' 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' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HMG2B $HMG2B 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HMG2B _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 78 _Mol_residue_sequence ; MKKDPNAPKRPPSAFFLFCS EHRPKIKSEHPGLSIGDTAK KLGEMWSEQSAKDKQPYEQK AAKLKEKYEKDIAAYRAK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 LYS 4 ASP 5 PRO 6 ASN 7 ALA 8 PRO 9 LYS 10 ARG 11 PRO 12 PRO 13 SER 14 ALA 15 PHE 16 PHE 17 LEU 18 PHE 19 CYS 20 SER 21 GLU 22 HIS 23 ARG 24 PRO 25 LYS 26 ILE 27 LYS 28 SER 29 GLU 30 HIS 31 PRO 32 GLY 33 LEU 34 SER 35 ILE 36 GLY 37 ASP 38 THR 39 ALA 40 LYS 41 LYS 42 LEU 43 GLY 44 GLU 45 MET 46 TRP 47 SER 48 GLU 49 GLN 50 SER 51 ALA 52 LYS 53 ASP 54 LYS 55 GLN 56 PRO 57 TYR 58 GLU 59 GLN 60 LYS 61 ALA 62 ALA 63 LYS 64 LEU 65 LYS 66 GLU 67 LYS 68 TYR 69 GLU 70 LYS 71 ASP 72 ILE 73 ALA 74 ALA 75 TYR 76 ARG 77 ALA 78 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 11431 HMG2B-H22Y 98.72 79 98.70 100.00 4.71e-46 PDB 1J3C "Solution Structure Of The C-Terminal Domain Of The Hmgb2" 98.72 79 98.70 100.00 4.71e-46 PDB 1J3D "Solution Structure Of The C-Terminal Domain Of The Hmgb2" 100.00 78 100.00 100.00 7.73e-48 EMBL CAA78938 "HMG2B [Homo sapiens]" 98.72 186 98.70 98.70 3.16e-45 GB AAA48819 "high-mobility group-2 protein [Gallus gallus]" 98.72 207 97.40 100.00 7.36e-45 GB EDL28622 "mCG11166, partial [Mus musculus]" 98.72 160 97.40 98.70 4.38e-45 GB EDM11073 "rCG63620, partial [Rattus norvegicus]" 98.72 198 100.00 100.00 3.77e-46 GB EGV91758 "High mobility group protein B2 [Cricetulus griseus]" 98.72 159 100.00 100.00 6.54e-47 GB ELW73033 "High mobility group protein B2 [Tupaia chinensis]" 98.72 234 100.00 100.00 3.16e-45 REF XP_002187513 "PREDICTED: high mobility group protein B2 [Taeniopygia guttata]" 98.72 145 98.70 100.00 2.96e-46 REF XP_003938773 "PREDICTED: high mobility group protein B2 [Saimiri boliviensis boliviensis]" 98.72 158 100.00 100.00 4.21e-47 REF XP_004610441 "PREDICTED: high mobility group protein B2 [Sorex araneus]" 98.72 157 98.70 100.00 3.69e-46 REF XP_006022293 "PREDICTED: high mobility group protein B2 [Alligator sinensis]" 98.72 158 97.40 100.00 1.69e-46 REF XP_006194086 "PREDICTED: high mobility group protein B2 [Camelus ferus]" 98.72 148 100.00 100.00 4.78e-47 TPG DAA30815 "TPA: high-mobility group box 2-like [Bos taurus]" 98.72 283 100.00 100.00 4.27e-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 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 '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 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 _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 4.10 . 1 2 1 1 MET HB2 H 2.14 . . 3 1 1 MET HG2 H 2.58 . . 4 1 1 MET C C 171.21 . 1 5 1 1 MET CA C 53.44 . 1 6 1 1 MET CB C 31.32 . 1 7 2 2 LYS H H 8.71 . 1 8 2 2 LYS HA H 4.32 . 1 9 2 2 LYS HB2 H 1.76 . . 10 2 2 LYS HD2 H 1.66 . 2 11 2 2 LYS HD3 H 1.66 . 2 12 2 2 LYS HE2 H 2.98 . 2 13 2 2 LYS HE3 H 2.98 . 2 14 2 2 LYS HG2 H 1.41 . 2 15 2 2 LYS HG3 H 1.41 . 2 16 2 2 LYS C C 174.27 . 1 17 2 2 LYS CA C 54.87 . 1 18 2 2 LYS CB C 31.68 . 1 19 2 2 LYS N N 126.51 . 1 20 3 3 LYS H H 8.46 . 1 21 3 3 LYS HA H 4.27 . 1 22 3 3 LYS HB2 H 1.71 . . 23 3 3 LYS HD2 H 1.65 . 2 24 3 3 LYS HD3 H 1.65 . 2 25 3 3 LYS HE2 H 2.95 . . 26 3 3 LYS HG2 H 1.37 . 2 27 3 3 LYS HG3 H 1.37 . 2 28 3 3 LYS C C 174.22 . 1 29 3 3 LYS CA C 54.59 . 1 30 3 3 LYS CB C 31.68 . 1 31 3 3 LYS N N 125.61 . 1 32 4 4 ASP H H 8.49 . 1 33 4 4 ASP HA H 4.88 . 1 34 4 4 ASP HB2 H 2.62 . . 35 4 4 ASP HB3 H 2.84 . . 36 4 4 ASP C C 173.93 . 1 37 4 4 ASP CA C 50.20 . 1 38 4 4 ASP CB C 39.99 . 1 39 4 4 ASP N N 125.58 . 1 40 5 5 PRO HA H 4.41 . 1 41 5 5 PRO HB2 H 2.28 . . 42 5 5 PRO HB3 H 1.97 . . 43 5 5 PRO HD2 H 3.91 . 2 44 5 5 PRO HD3 H 3.91 . 2 45 5 5 PRO HG2 H 2.01 . 2 46 5 5 PRO HG3 H 2.01 . 2 47 5 5 PRO C C 175.27 . 1 48 5 5 PRO CA C 62.19 . 1 49 5 5 PRO CB C 30.65 . 1 50 6 6 ASN H H 8.37 . 1 51 6 6 ASN HA H 4.70 . 1 52 6 6 ASN HB2 H 2.81 . . 53 6 6 ASN HB3 H 2.77 . . 54 6 6 ASN HD21 H 7.77 . . 55 6 6 ASN HD22 H 6.97 . . 56 6 6 ASN C C 172.59 . 1 57 6 6 ASN CA C 51.31 . 1 58 6 6 ASN CB C 37.61 . 1 59 6 6 ASN N N 118.87 . 1 60 6 6 ASN ND2 N 115.93 . 1 61 7 7 ALA H H 7.54 . 1 62 7 7 ALA HA H 3.74 . 1 63 7 7 ALA HB H 1.16 . 1 64 7 7 ALA CA C 49.16 . 1 65 7 7 ALA CB C 15.83 . 1 66 7 7 ALA N N 126.01 . 1 67 8 8 PRO HA H 4.31 . 1 68 8 8 PRO HB2 H 1.78 . . 69 8 8 PRO HB3 H 2.34 . . 70 8 8 PRO HD2 H 3.23 . . 71 8 8 PRO HD3 H 3.03 . . 72 8 8 PRO HG2 H 1.81 . . 73 8 8 PRO HG3 H 1.65 . . 74 8 8 PRO C C 174.46 . 1 75 8 8 PRO CA C 61.39 . 1 76 8 8 PRO CB C 30.44 . 1 77 9 9 LYS H H 8.47 . 1 78 9 9 LYS HA H 4.28 . 1 79 9 9 LYS HB2 H 1.72 . . 80 9 9 LYS HB3 H 1.64 . . 81 9 9 LYS HD2 H 1.64 . 2 82 9 9 LYS HD3 H 1.64 . 2 83 9 9 LYS HE2 H 2.98 . 2 84 9 9 LYS HE3 H 2.98 . 2 85 9 9 LYS HG2 H 1.44 . 2 86 9 9 LYS HG3 H 1.44 . 2 87 9 9 LYS C C 174.33 . 1 88 9 9 LYS CA C 53.86 . 1 89 9 9 LYS CB C 31.88 . 1 90 9 9 LYS N N 124.90 . 1 91 10 10 ARG H H 8.25 . 1 92 10 10 ARG HA H 3.44 . 1 93 10 10 ARG HB2 H 1.49 . . 94 10 10 ARG HD2 H 3.06 . 2 95 10 10 ARG HD3 H 3.06 . 2 96 10 10 ARG HE H 7.14 . 1 97 10 10 ARG HG2 H 1.44 . 2 98 10 10 ARG HG3 H 1.44 . 2 99 10 10 ARG C C 172.93 . 1 100 10 10 ARG CA C 53.03 . 1 101 10 10 ARG CB C 27.57 . 1 102 10 10 ARG N N 124.38 . 1 103 10 10 ARG NE N 86.01 . 1 104 11 11 PRO HA H 4.60 . 1 105 11 11 PRO HB2 H 2.06 . . 106 11 11 PRO HB3 H 1.99 . . 107 11 11 PRO HD2 H 2.95 . . 108 11 11 PRO HD3 H 2.72 . . 109 11 11 PRO HG2 H 1.88 . . 110 11 11 PRO HG3 H 1.66 . . 111 11 11 PRO CA C 59.48 . 1 112 12 12 PRO HA H 4.31 . 1 113 12 12 PRO HB2 H 1.92 . . 114 12 12 PRO HD2 H 3.65 . . 115 12 12 PRO HD3 H 3.48 . . 116 12 12 PRO HG2 H 1.99 . 2 117 12 12 PRO HG3 H 1.99 . 2 118 12 12 PRO C C 174.25 . 1 119 12 12 PRO CA C 60.24 . 1 120 12 12 PRO CB C 31.51 . 1 121 13 13 SER H H 7.82 . 1 122 13 13 SER HA H 4.47 . 1 123 13 13 SER HB2 H 4.43 . . 124 13 13 SER HB3 H 4.02 . . 125 13 13 SER C C 173.02 . 1 126 13 13 SER CA C 54.88 . 1 127 13 13 SER CB C 64.30 . 1 128 13 13 SER N N 116.14 . 1 129 14 14 ALA H H 9.00 . 1 130 14 14 ALA HA H 4.03 . 1 131 14 14 ALA HB H 1.60 . 1 132 14 14 ALA C C 177.08 . 1 133 14 14 ALA CA C 54.36 . 1 134 14 14 ALA CB C 17.08 . 1 135 14 14 ALA N N 124.34 . 1 136 15 15 PHE H H 8.35 . 1 137 15 15 PHE HA H 4.06 . 1 138 15 15 PHE HB2 H 2.80 . . 139 15 15 PHE HB3 H 2.39 . . 140 15 15 PHE HD1 H 6.28 . 3 141 15 15 PHE HD2 H 6.28 . 3 142 15 15 PHE HE1 H 7.13 . 3 143 15 15 PHE HE2 H 7.13 . 3 144 15 15 PHE HZ H 7.10 . 1 145 15 15 PHE C C 175.81 . 1 146 15 15 PHE CA C 57.39 . 1 147 15 15 PHE CB C 37.22 . 1 148 15 15 PHE CD1 C 130.11 . 3 149 15 15 PHE CD2 C 130.11 . 3 150 15 15 PHE CE1 C 129.84 . 3 151 15 15 PHE CE2 C 129.84 . 3 152 15 15 PHE CZ C 128.55 . 1 153 15 15 PHE N N 117.74 . 1 154 16 16 PHE H H 8.16 . 1 155 16 16 PHE HA H 3.67 . 1 156 16 16 PHE HB2 H 3.28 . . 157 16 16 PHE HB3 H 3.13 . . 158 16 16 PHE HD1 H 6.87 . 3 159 16 16 PHE HD2 H 6.87 . 3 160 16 16 PHE HE1 H 7.36 . 3 161 16 16 PHE HE2 H 7.36 . 3 162 16 16 PHE HZ H 7.12 . 1 163 16 16 PHE C C 177.44 . 1 164 16 16 PHE CA C 60.40 . 1 165 16 16 PHE CB C 37.05 . 1 166 16 16 PHE CD1 C 127.40 . 3 167 16 16 PHE CD2 C 127.40 . 3 168 16 16 PHE CE1 C 129.84 . 3 169 16 16 PHE CE2 C 129.84 . 3 170 16 16 PHE CZ C 130.10 . 1 171 16 16 PHE N N 124.61 . 1 172 17 17 LEU H H 8.24 . 1 173 17 17 LEU HA H 4.07 . 1 174 17 17 LEU HB2 H 2.44 . . 175 17 17 LEU HB3 H 1.78 . . 176 17 17 LEU HD1 H 1.04 . . 177 17 17 LEU HD2 H 1.00 . . 178 17 17 LEU HG H 1.38 . 1 179 17 17 LEU C C 178.17 . 1 180 17 17 LEU CA C 56.75 . 1 181 17 17 LEU CB C 40.55 . 1 182 17 17 LEU CD1 C 25.13 . . 183 17 17 LEU CD2 C 20.60 . . 184 17 17 LEU N N 122.48 . 1 185 18 18 PHE H H 8.16 . 1 186 18 18 PHE HA H 3.67 . 1 187 18 18 PHE HB2 H 2.09 . . 188 18 18 PHE HB3 H 2.73 . . 189 18 18 PHE HD1 H 6.92 . 3 190 18 18 PHE HD2 H 6.92 . 3 191 18 18 PHE HE1 H 7.32 . 3 192 18 18 PHE HE2 H 7.32 . 3 193 18 18 PHE HZ H 7.12 . 1 194 18 18 PHE C C 177.23 . 1 195 18 18 PHE CA C 60.15 . 1 196 18 18 PHE CB C 37.71 . 1 197 18 18 PHE CD1 C 131.13 . . 198 18 18 PHE CD2 C 128.53 . . 199 18 18 PHE CZ C 129.64 . 1 200 18 18 PHE N N 124.38 . 1 201 19 19 CYS H H 8.52 . 1 202 19 19 CYS HA H 3.65 . 1 203 19 19 CYS HB2 H 2.13 . . 204 19 19 CYS HB3 H 2.64 . . 205 19 19 CYS C C 174.68 . 1 206 19 19 CYS CA C 62.67 . 1 207 19 19 CYS CB C 24.74 . 1 208 19 19 CYS N N 121.70 . 1 209 20 20 SER H H 8.19 . 1 210 20 20 SER HA H 3.86 . 1 211 20 20 SER HB2 H 3.82 . . 212 20 20 SER HB3 H 3.79 . . 213 20 20 SER C C 174.13 . 1 214 20 20 SER CA C 59.97 . 1 215 20 20 SER CB C 61.19 . 1 216 20 20 SER N N 117.35 . 1 217 21 21 GLU H H 7.08 . 1 218 21 21 GLU HA H 4.08 . 1 219 21 21 GLU HB2 H 1.98 . . 220 21 21 GLU HB3 H 1.82 . . 221 21 21 GLU HG2 H 2.19 . 2 222 21 21 GLU HG3 H 2.19 . 2 223 21 21 GLU C C 176.22 . 1 224 21 21 GLU CA C 56.35 . 1 225 21 21 GLU CB C 28.77 . 1 226 21 21 GLU N N 118.78 . 1 227 22 22 HIS H H 7.55 . 1 228 22 22 HIS HA H 4.27 . 1 229 22 22 HIS HB2 H 2.83 . . 230 22 22 HIS HB3 H 2.17 . . 231 22 22 HIS HD1 H 6.11 . 1 232 22 22 HIS HE1 H 7.97 . 1 233 22 22 HIS C C 173.96 . 1 234 22 22 HIS CA C 56.96 . 1 235 22 22 HIS CB C 28.59 . 1 236 22 22 HIS CD2 C 118.54 . 1 237 22 22 HIS CE1 C 136.32 . 1 238 22 22 HIS N N 115.01 . 1 239 23 23 ARG H H 8.83 . 1 240 23 23 ARG HA H 3.91 . 1 241 23 23 ARG HB2 H 1.84 . . 242 23 23 ARG HD2 H 3.18 . . 243 23 23 ARG HD3 H 3.09 . . 244 23 23 ARG HE H 7.21 . 1 245 23 23 ARG HG2 H 1.52 . 2 246 23 23 ARG HG3 H 1.52 . 2 247 23 23 ARG CA C 60.40 . 1 248 23 23 ARG N N 124.59 . 1 249 23 23 ARG NE N 85.42 . 1 250 24 24 PRO HA H 4.21 . 1 251 24 24 PRO HB2 H 2.28 . . 252 24 24 PRO HB3 H 1.77 . . 253 24 24 PRO HD2 H 3.54 . . 254 24 24 PRO HD3 H 3.37 . . 255 24 24 PRO HG2 H 2.02 . . 256 24 24 PRO HG3 H 1.90 . . 257 24 24 PRO C C 177.51 . 1 258 24 24 PRO CA C 64.51 . 1 259 24 24 PRO CB C 29.27 . 1 260 25 25 LYS H H 7.05 . 1 261 25 25 LYS HA H 4.14 . 1 262 25 25 LYS HB2 H 1.91 . 2 263 25 25 LYS HB3 H 1.91 . 2 264 25 25 LYS HD2 H 1.63 . 2 265 25 25 LYS HD3 H 1.63 . 2 266 25 25 LYS HE2 H 2.92 . 2 267 25 25 LYS HE3 H 2.92 . 2 268 25 25 LYS HG2 H 1.43 . 2 269 25 25 LYS HG3 H 1.43 . 2 270 25 25 LYS C C 177.10 . 1 271 25 25 LYS CA C 57.03 . 1 272 25 25 LYS CB C 30.82 . 1 273 25 25 LYS N N 118.68 . 1 274 26 26 ILE H H 7.65 . 1 275 26 26 ILE HA H 3.98 . 1 276 26 26 ILE HB H 1.96 . 1 277 26 26 ILE HD1 H 0.84 . 1 278 26 26 ILE HG12 H 1.62 . . 279 26 26 ILE HG13 H 1.31 . . 280 26 26 ILE HG2 H 0.96 . 1 281 26 26 ILE C C 176.39 . 1 282 26 26 ILE CA C 62.73 . 1 283 26 26 ILE CB C 36.16 . 1 284 26 26 ILE CD1 C 12.17 . 1 285 26 26 ILE CG1 C 16.89 . 1 286 26 26 ILE N N 120.82 . 1 287 27 27 LYS H H 7.88 . 1 288 27 27 LYS HA H 4.04 . 1 289 27 27 LYS HB2 H 1.80 . . 290 27 27 LYS HB3 H 1.76 . . 291 27 27 LYS HD2 H 1.41 . 2 292 27 27 LYS HD3 H 1.41 . 2 293 27 27 LYS HE2 H 2.98 . 2 294 27 27 LYS HE3 H 2.98 . 2 295 27 27 LYS HG2 H 1.51 . 2 296 27 27 LYS HG3 H 1.51 . 2 297 27 27 LYS C C 176.71 . 1 298 27 27 LYS CA C 56.80 . 1 299 27 27 LYS CB C 30.11 . 1 300 27 27 LYS N N 120.22 . 1 301 28 28 SER H H 7.68 . 1 302 28 28 SER HA H 4.19 . 1 303 28 28 SER HB2 H 3.93 . 2 304 28 28 SER HB3 H 3.93 . 2 305 28 28 SER C C 174.59 . 1 306 28 28 SER CA C 59.80 . 1 307 28 28 SER CB C 61.59 . 1 308 28 28 SER N N 114.10 . 1 309 29 29 GLU H H 7.73 . 1 310 29 29 GLU HA H 4.03 . 1 311 29 29 GLU HB2 H 1.63 . . 312 29 29 GLU HB3 H 1.89 . . 313 29 29 GLU HG2 H 2.37 . . 314 29 29 GLU HG3 H 2.04 . . 315 29 29 GLU C C 174.94 . 1 316 29 29 GLU CA C 56.09 . 1 317 29 29 GLU CB C 29.16 . 1 318 29 29 GLU N N 120.44 . 1 319 30 30 HIS H H 8.02 . 1 320 30 30 HIS HA H 5.03 . 1 321 30 30 HIS HB2 H 3.22 . . 322 30 30 HIS HB3 H 3.10 . . 323 30 30 HIS HD1 H 7.24 . 1 324 30 30 HIS HE1 H 8.38 . 1 325 30 30 HIS C C 170.18 . 1 326 30 30 HIS CA C 51.01 . 1 327 30 30 HIS CB C 27.64 . 1 328 30 30 HIS CD2 C 119.02 . 1 329 30 30 HIS CE1 C 135.78 . 1 330 30 30 HIS N N 117.00 . 1 331 31 31 PRO HA H 4.53 . 1 332 31 31 PRO HB2 H 2.35 . . 333 31 31 PRO HB3 H 1.93 . . 334 31 31 PRO HD2 H 3.56 . . 335 31 31 PRO HD3 H 3.35 . . 336 31 31 PRO HG2 H 1.99 . 2 337 31 31 PRO HG3 H 1.99 . 2 338 31 31 PRO C C 176.59 . 1 339 31 31 PRO CA C 62.94 . 1 340 31 31 PRO CB C 30.31 . 1 341 32 32 GLY H H 8.71 . 1 342 32 32 GLY HA2 H 3.99 . . 343 32 32 GLY HA3 H 3.83 . . 344 32 32 GLY C C 173.16 . 1 345 32 32 GLY CA C 43.50 . 1 346 32 32 GLY N N 109.76 . 1 347 33 33 LEU H H 7.50 . 1 348 33 33 LEU HA H 4.34 . 1 349 33 33 LEU HB2 H 1.65 . . 350 33 33 LEU HD1 H 0.73 . . 351 33 33 LEU HD2 H 0.82 . . 352 33 33 LEU HG H 1.76 . 1 353 33 33 LEU C C 176.48 . 1 354 33 33 LEU CA C 53.69 . 1 355 33 33 LEU CB C 41.42 . 1 356 33 33 LEU CD1 C 24.92 . . 357 33 33 LEU CD2 C 23.06 . . 358 33 33 LEU N N 124.05 . 1 359 34 34 SER H H 9.30 . 1 360 34 34 SER HA H 4.45 . 1 361 34 34 SER HB2 H 4.15 . . 362 34 34 SER HB3 H 4.35 . . 363 34 34 SER C C 174.87 . 1 364 34 34 SER CA C 55.94 . 1 365 34 34 SER CB C 63.90 . 1 366 34 34 SER N N 123.19 . 1 367 35 35 ILE H H 9.07 . 1 368 35 35 ILE HA H 3.86 . 1 369 35 35 ILE HB H 1.84 . 1 370 35 35 ILE HD1 H 0.90 . 1 371 35 35 ILE HG12 H 1.67 . . 372 35 35 ILE HG13 H 1.25 . . 373 35 35 ILE HG2 H 0.95 . 1 374 35 35 ILE C C 178.01 . 1 375 35 35 ILE CA C 63.61 . 1 376 35 35 ILE CB C 36.43 . 1 377 35 35 ILE CD1 C 11.39 . 1 378 35 35 ILE CG1 C 15.57 . 1 379 35 35 ILE N N 126.04 . 1 380 36 36 GLY H H 8.87 . 1 381 36 36 GLY HA2 H 3.92 . . 382 36 36 GLY C C 175.47 . 1 383 36 36 GLY CA C 45.28 . 1 384 36 36 GLY N N 111.59 . 1 385 37 37 ASP H H 8.14 . 1 386 37 37 ASP HA H 4.55 . 1 387 37 37 ASP HB2 H 2.57 . . 388 37 37 ASP HB3 H 2.76 . . 389 37 37 ASP C C 177.93 . 1 390 37 37 ASP CA C 55.41 . 1 391 37 37 ASP CB C 38.54 . 1 392 37 37 ASP N N 124.92 . 1 393 38 38 THR H H 8.48 . 1 394 38 38 THR HA H 4.37 . 1 395 38 38 THR HB H 3.75 . 1 396 38 38 THR HG2 H 1.15 . 1 397 38 38 THR C C 173.60 . 1 398 38 38 THR CB C 66.55 . 1 399 38 38 THR CG2 C 19.34 . 1 400 38 38 THR N N 122.19 . 1 401 39 39 ALA H H 7.85 . 1 402 39 39 ALA HA H 4.12 . 1 403 39 39 ALA HB H 1.58 . 1 404 39 39 ALA C C 179.59 . 1 405 39 39 ALA CA C 53.95 . 1 406 39 39 ALA CB C 16.27 . 1 407 39 39 ALA N N 125.30 . 1 408 40 40 LYS H H 7.97 . 1 409 40 40 LYS HA H 4.09 . 1 410 40 40 LYS HB2 H 2.07 . . 411 40 40 LYS HB3 H 1.95 . . 412 40 40 LYS HD2 H 1.69 . 2 413 40 40 LYS HD3 H 1.69 . 2 414 40 40 LYS HE2 H 2.96 . 2 415 40 40 LYS HE3 H 2.96 . 2 416 40 40 LYS HG2 H 1.52 . . 417 40 40 LYS HG3 H 1.37 . . 418 40 40 LYS C C 177.64 . 1 419 40 40 LYS CA C 57.95 . 1 420 40 40 LYS CB C 31.18 . 1 421 40 40 LYS N N 121.48 . 1 422 41 41 LYS H H 7.98 . 1 423 41 41 LYS HA H 4.22 . 1 424 41 41 LYS HB2 H 1.96 . . 425 41 41 LYS HD2 H 1.69 . 2 426 41 41 LYS HD3 H 1.69 . 2 427 41 41 LYS HE2 H 2.97 . . 428 41 41 LYS HE3 H 2.80 . . 429 41 41 LYS HG2 H 1.44 . 2 430 41 41 LYS HG3 H 1.44 . 2 431 41 41 LYS C C 177.46 . 1 432 41 41 LYS CA C 56.99 . 1 433 41 41 LYS CB C 30.17 . 1 434 41 41 LYS N N 122.31 . 1 435 42 42 LEU H H 8.42 . 1 436 42 42 LEU HA H 4.31 . 1 437 42 42 LEU HB2 H 1.84 . . 438 42 42 LEU HB3 H 2.10 . . 439 42 42 LEU HD1 H 0.76 . . 440 42 42 LEU HD2 H 0.83 . . 441 42 42 LEU HG H 1.66 . 1 442 42 42 LEU C C 178.23 . 1 443 42 42 LEU CA C 56.90 . 1 444 42 42 LEU CB C 40.09 . 1 445 42 42 LEU CD1 C 23.20 . . 446 42 42 LEU CD2 C 23.50 . . 447 42 42 LEU N N 121.33 . 1 448 43 43 GLY H H 8.28 . 1 449 43 43 GLY HA2 H 4.05 . . 450 43 43 GLY HA3 H 3.91 . . 451 43 43 GLY C C 175.44 . 1 452 43 43 GLY CA C 45.92 . 1 453 43 43 GLY N N 107.64 . 1 454 44 44 GLU H H 8.15 . 1 455 44 44 GLU HA H 4.07 . 1 456 44 44 GLU HB2 H 2.29 . . 457 44 44 GLU HB3 H 2.12 . . 458 44 44 GLU HG2 H 2.43 . 2 459 44 44 GLU HG3 H 2.43 . 2 460 44 44 GLU C C 177.91 . 1 461 44 44 GLU CA C 57.67 . 1 462 44 44 GLU CB C 27.78 . 1 463 44 44 GLU N N 125.90 . 1 464 45 45 MET H H 8.72 . 1 465 45 45 MET HA H 4.10 . 1 466 45 45 MET HB2 H 2.42 . . 467 45 45 MET HE H 2.10 . 1 468 45 45 MET HG2 H 2.86 . . 469 45 45 MET HG3 H 2.64 . . 470 45 45 MET C C 178.03 . 1 471 45 45 MET CA C 57.69 . 1 472 45 45 MET CB C 32.70 . 1 473 45 45 MET N N 120.94 . 1 474 46 46 TRP H H 8.54 . 1 475 46 46 TRP HA H 3.84 . 1 476 46 46 TRP HB2 H 3.18 . . 477 46 46 TRP HB3 H 3.11 . . 478 46 46 TRP HD1 H 6.94 . 1 479 46 46 TRP HE3 H 5.59 . 1 480 46 46 TRP HH2 H 7.11 . 1 481 46 46 TRP HZ2 H 7.57 . 1 482 46 46 TRP HZ3 H 6.56 . 1 483 46 46 TRP C C 176.55 . 1 484 46 46 TRP CA C 57.90 . 1 485 46 46 TRP CB C 29.25 . 1 486 46 46 TRP CD1 C 126.28 . 1 487 46 46 TRP CE3 C 118.73 . 1 488 46 46 TRP CH2 C 122.06 . 1 489 46 46 TRP CZ2 C 112.47 . 1 490 46 46 TRP CZ3 C 119.91 . 1 491 46 46 TRP N N 122.17 . 1 492 47 47 SER H H 7.86 . 1 493 47 47 SER HA H 4.02 . 1 494 47 47 SER HB2 H 4.00 . . 495 47 47 SER C C 173.65 . 1 496 47 47 SER CA C 59.71 . 1 497 47 47 SER CB C 61.55 . 1 498 47 47 SER N N 114.93 . 1 499 48 48 GLU H H 7.32 . 1 500 48 48 GLU HA H 4.20 . 1 501 48 48 GLU HB2 H 2.10 . . 502 48 48 GLU HB3 H 2.04 . . 503 48 48 GLU HG2 H 2.43 . . 504 48 48 GLU HG3 H 2.35 . . 505 48 48 GLU C C 175.21 . 1 506 48 48 GLU CA C 54.60 . 1 507 48 48 GLU CB C 28.28 . 1 508 48 48 GLU N N 119.65 . 1 509 49 49 GLN H H 7.13 . 1 510 49 49 GLN HA H 4.23 . 1 511 49 49 GLN HB2 H 1.52 . . 512 49 49 GLN HB3 H 1.88 . . 513 49 49 GLN HE21 H 6.66 . . 514 49 49 GLN HE22 H 6.66 . . 515 49 49 GLN HG2 H 1.95 . 2 516 49 49 GLN HG3 H 1.95 . 2 517 49 49 GLN C C 174.80 . 1 518 49 49 GLN CA C 53.51 . 1 519 49 49 GLN CB C 27.96 . 1 520 49 49 GLN N N 120.66 . 1 521 50 50 SER H H 9.33 . 1 522 50 50 SER HA H 4.32 . 1 523 50 50 SER HB2 H 4.06 . . 524 50 50 SER HB3 H 4.31 . . 525 50 50 SER C C 172.90 . 1 526 50 50 SER CA C 55.82 . 1 527 50 50 SER CB C 63.42 . 1 528 50 50 SER N N 122.57 . 1 529 51 51 ALA H H 8.79 . 1 530 51 51 ALA HA H 3.89 . 1 531 51 51 ALA HB H 1.42 . 1 532 51 51 ALA C C 179.54 . 1 533 51 51 ALA CA C 54.31 . 1 534 51 51 ALA CB C 16.19 . 1 535 51 51 ALA N N 125.07 . 1 536 52 52 LYS H H 8.16 . 1 537 52 52 LYS HA H 4.04 . 1 538 52 52 LYS HB2 H 1.72 . . 539 52 52 LYS HB3 H 1.83 . . 540 52 52 LYS HD2 H 1.66 . 2 541 52 52 LYS HD3 H 1.66 . 2 542 52 52 LYS HE2 H 2.98 . 2 543 52 52 LYS HE3 H 2.98 . 2 544 52 52 LYS HG2 H 1.42 . 2 545 52 52 LYS HG3 H 1.42 . 2 546 52 52 LYS C C 176.97 . 1 547 52 52 LYS CA C 57.53 . 1 548 52 52 LYS CB C 30.58 . 1 549 52 52 LYS N N 119.18 . 1 550 53 53 ASP H H 7.63 . 1 551 53 53 ASP HA H 4.62 . 1 552 53 53 ASP HB2 H 3.04 . . 553 53 53 ASP HB3 H 2.83 . . 554 53 53 ASP C C 177.34 . 1 555 53 53 ASP CA C 54.99 . 1 556 53 53 ASP CB C 39.17 . 1 557 53 53 ASP N N 121.77 . 1 558 54 54 LYS H H 7.93 . 1 559 54 54 LYS HA H 4.31 . 1 560 54 54 LYS HB2 H 1.68 . . 561 54 54 LYS HB3 H 1.62 . . 562 54 54 LYS HD2 H 1.77 . 2 563 54 54 LYS HD3 H 1.77 . 2 564 54 54 LYS HE2 H 2.99 . 2 565 54 54 LYS HE3 H 2.99 . 2 566 54 54 LYS HG2 H 0.83 . . 567 54 54 LYS HG3 H 1.10 . . 568 54 54 LYS C C 177.04 . 1 569 54 54 LYS CA C 57.76 . 1 570 54 54 LYS CB C 32.33 . 1 571 54 54 LYS N N 119.05 . 1 572 55 55 GLN H H 7.54 . 1 573 55 55 GLN HA H 4.32 . 1 574 55 55 GLN HB2 H 2.59 . . 575 55 55 GLN HB3 H 2.41 . . 576 55 55 GLN HE21 H 7.52 . . 577 55 55 GLN HE22 H 6.83 . . 578 55 55 GLN HG2 H 2.31 . 2 579 55 55 GLN HG3 H 2.31 . 2 580 55 55 GLN CA C 59.42 . 1 581 55 55 GLN CB C 25.09 . 1 582 55 55 GLN N N 120.95 . 1 583 56 56 PRO HA H 4.33 . 1 584 56 56 PRO HB2 H 2.22 . . 585 56 56 PRO HB3 H 1.36 . . 586 56 56 PRO HD2 H 3.82 . 2 587 56 56 PRO HD3 H 3.82 . 2 588 56 56 PRO HG2 H 2.01 . 2 589 56 56 PRO HG3 H 2.01 . 2 590 56 56 PRO C C 178.54 . 1 591 56 56 PRO CA C 64.74 . 1 592 56 56 PRO CB C 29.50 . 1 593 57 57 TYR H H 7.18 . 1 594 57 57 TYR HA H 4.25 . 1 595 57 57 TYR HB2 H 3.68 . . 596 57 57 TYR HB3 H 3.49 . . 597 57 57 TYR HD1 H 7.51 . 3 598 57 57 TYR HD2 H 7.51 . 3 599 57 57 TYR HE1 H 7.31 . 3 600 57 57 TYR HE2 H 7.31 . 3 601 57 57 TYR C C 176.47 . 1 602 57 57 TYR CA C 60.18 . 1 603 57 57 TYR CB C 36.98 . 1 604 57 57 TYR CD1 C 131.35 . 3 605 57 57 TYR CD2 C 131.35 . 3 606 57 57 TYR CE1 C 117.69 . 3 607 57 57 TYR CE2 C 117.69 . 3 608 57 57 TYR CG C 129.11 . 1 609 57 57 TYR N N 117.28 . 1 610 58 58 GLU H H 8.18 . 1 611 58 58 GLU HA H 4.25 . 1 612 58 58 GLU HB2 H 2.34 . . 613 58 58 GLU HB3 H 2.17 . . 614 58 58 GLU HG2 H 2.51 . 2 615 58 58 GLU HG3 H 2.51 . 2 616 58 58 GLU C C 178.92 . 1 617 58 58 GLU CA C 57.89 . 1 618 58 58 GLU CB C 27.82 . 1 619 58 58 GLU N N 121.25 . 1 620 59 59 GLN H H 9.11 . 1 621 59 59 GLN HA H 4.18 . 1 622 59 59 GLN HB2 H 2.07 . . 623 59 59 GLN HB3 H 2.19 . . 624 59 59 GLN HE21 H 7.52 . . 625 59 59 GLN HE22 H 6.83 . . 626 59 59 GLN HG2 H 2.58 . . 627 59 59 GLN HG3 H 2.42 . . 628 59 59 GLN C C 177.38 . 1 629 59 59 GLN CA C 57.42 . 1 630 59 59 GLN CB C 26.75 . 1 631 59 59 GLN N N 121.89 . 1 632 59 59 GLN NE2 N 113.01 . 1 633 60 60 LYS H H 7.78 . 1 634 60 60 LYS HA H 4.10 . 1 635 60 60 LYS HB2 H 1.93 . . 636 60 60 LYS HD2 H 1.73 . . 637 60 60 LYS HD3 H 1.65 . . 638 60 60 LYS HE2 H 2.92 . 2 639 60 60 LYS HE3 H 2.92 . 2 640 60 60 LYS HG2 H 1.42 . 2 641 60 60 LYS HG3 H 1.42 . 2 642 60 60 LYS C C 177.37 . 1 643 60 60 LYS CA C 58.13 . 1 644 60 60 LYS CB C 31.00 . 1 645 60 60 LYS N N 122.27 . 1 646 61 61 ALA H H 8.39 . 1 647 61 61 ALA HA H 3.99 . 1 648 61 61 ALA HB H 1.61 . 1 649 61 61 ALA C C 178.98 . 1 650 61 61 ALA CA C 54.17 . 1 651 61 61 ALA CB C 16.21 . 1 652 61 61 ALA N N 122.35 . 1 653 62 62 ALA H H 8.27 . 1 654 62 62 ALA HA H 4.25 . 1 655 62 62 ALA HB H 1.62 . 1 656 62 62 ALA C C 179.25 . 1 657 62 62 ALA CA C 53.95 . 1 658 62 62 ALA CB C 16.32 . 1 659 62 62 ALA N N 123.62 . 1 660 63 63 LYS H H 7.96 . 1 661 63 63 LYS HA H 4.21 . 1 662 63 63 LYS HB2 H 2.00 . . 663 63 63 LYS HD2 H 1.69 . 2 664 63 63 LYS HD3 H 1.69 . 2 665 63 63 LYS HE2 H 2.97 . 2 666 63 63 LYS HE3 H 2.97 . 2 667 63 63 LYS HG2 H 1.52 . . 668 63 63 LYS HG3 H 1.47 . . 669 63 63 LYS C C 178.84 . 1 670 63 63 LYS CA C 57.30 . 1 671 63 63 LYS CB C 30.36 . 1 672 63 63 LYS N N 121.87 . 1 673 64 64 LEU H H 8.22 . 1 674 64 64 LEU HA H 4.21 . 1 675 64 64 LEU HB2 H 2.00 . . 676 64 64 LEU HB3 H 1.46 . . 677 64 64 LEU HD1 H 0.96 . . 678 64 64 LEU HD2 H 1.00 . . 679 64 64 LEU HG H 1.40 . 1 680 64 64 LEU C C 178.59 . 1 681 64 64 LEU CA C 56.13 . 1 682 64 64 LEU CB C 40.18 . 1 683 64 64 LEU CD1 C 24.88 . . 684 64 64 LEU CD2 C 20.82 . . 685 64 64 LEU N N 121.62 . 1 686 65 65 LYS H H 8.33 . 1 687 65 65 LYS HA H 4.05 . 1 688 65 65 LYS HB2 H 1.96 . . 689 65 65 LYS HB3 H 2.10 . . 690 65 65 LYS HD2 H 1.78 . 2 691 65 65 LYS HD3 H 1.78 . 2 692 65 65 LYS HE2 H 3.03 . 2 693 65 65 LYS HE3 H 3.03 . 2 694 65 65 LYS HG2 H 1.68 . . 695 65 65 LYS HG3 H 1.50 . . 696 65 65 LYS C C 175.80 . 1 697 65 65 LYS CA C 58.51 . 1 698 65 65 LYS CB C 30.68 . 1 699 65 65 LYS N N 124.96 . 1 700 66 66 GLU H H 8.05 . 1 701 66 66 GLU HA H 4.13 . 1 702 66 66 GLU HB2 H 2.20 . . 703 66 66 GLU HG2 H 2.47 . 2 704 66 66 GLU HG3 H 2.47 . 2 705 66 66 GLU C C 177.58 . 1 706 66 66 GLU CA C 57.77 . 1 707 66 66 GLU CB C 28.18 . 1 708 66 66 GLU N N 121.41 . 1 709 67 67 LYS H H 7.69 . 1 710 67 67 LYS HA H 4.08 . 1 711 67 67 LYS HB2 H 1.99 . . 712 67 67 LYS HD2 H 1.81 . 2 713 67 67 LYS HD3 H 1.81 . 2 714 67 67 LYS HE2 H 3.06 . 2 715 67 67 LYS HE3 H 3.06 . 2 716 67 67 LYS HG2 H 1.67 . 2 717 67 67 LYS HG3 H 1.67 . 2 718 67 67 LYS C C 176.02 . 1 719 67 67 LYS CA C 57.59 . 1 720 67 67 LYS CB C 30.94 . 1 721 67 67 LYS N N 121.05 . 1 722 68 68 TYR H H 8.03 . 1 723 68 68 TYR HA H 4.41 . 1 724 68 68 TYR HB2 H 3.18 . . 725 68 68 TYR HB3 H 3.22 . . 726 68 68 TYR HD1 H 7.11 . 3 727 68 68 TYR HD2 H 7.11 . 3 728 68 68 TYR HE1 H 6.63 . 3 729 68 68 TYR HE2 H 6.63 . 3 730 68 68 TYR C C 175.14 . 1 731 68 68 TYR CA C 59.64 . 1 732 68 68 TYR CB C 36.86 . 1 733 68 68 TYR CD1 C 132.18 . 3 734 68 68 TYR CD2 C 132.18 . 3 735 68 68 TYR CE1 C 116.26 . 3 736 68 68 TYR CE2 C 116.26 . 3 737 68 68 TYR CG C 128.31 . 1 738 68 68 TYR N N 121.85 . 1 739 69 69 GLU H H 8.42 . 1 740 69 69 GLU HA H 3.76 . 1 741 69 69 GLU HB2 H 2.02 . . 742 69 69 GLU HB3 H 2.17 . . 743 69 69 GLU HG2 H 2.68 . . 744 69 69 GLU HG3 H 2.42 . . 745 69 69 GLU C C 178.52 . 1 746 69 69 GLU CA C 57.67 . 1 747 69 69 GLU CB C 27.47 . 1 748 69 69 GLU N N 118.86 . 1 749 70 70 LYS H H 7.70 . 1 750 70 70 LYS HA H 4.11 . 1 751 70 70 LYS HB2 H 1.99 . . 752 70 70 LYS HD2 H 1.67 . 2 753 70 70 LYS HD3 H 1.67 . 2 754 70 70 LYS HE2 H 2.98 . 2 755 70 70 LYS HE3 H 2.98 . 2 756 70 70 LYS HG2 H 1.47 . 2 757 70 70 LYS HG3 H 1.47 . 2 758 70 70 LYS C C 177.60 . 1 759 70 70 LYS CA C 57.59 . 1 760 70 70 LYS CB C 30.76 . 1 761 70 70 LYS N N 121.88 . 1 762 71 71 ASP H H 8.69 . 1 763 71 71 ASP HA H 4.43 . 1 764 71 71 ASP HB2 H 2.47 . . 765 71 71 ASP HB3 H 2.80 . . 766 71 71 ASP C C 178.36 . 1 767 71 71 ASP CA C 55.62 . 1 768 71 71 ASP CB C 38.29 . 1 769 71 71 ASP N N 124.06 . 1 770 72 72 ILE H H 8.77 . 1 771 72 72 ILE HA H 3.94 . 1 772 72 72 ILE HB H 1.53 . 1 773 72 72 ILE HD1 H 0.69 . 1 774 72 72 ILE HG12 H 1.08 . . 775 72 72 ILE HG2 H 0.70 . 1 776 72 72 ILE C C 175.91 . 1 777 72 72 ILE CA C 60.65 . 1 778 72 72 ILE CB C 35.58 . 1 779 72 72 ILE CD1 C 11.18 . 1 780 72 72 ILE CG2 C 16.61 . 1 781 72 72 ILE N N 122.31 . 1 782 73 73 ALA H H 7.31 . 1 783 73 73 ALA HA H 4.14 . 1 784 73 73 ALA HB H 1.48 . 1 785 73 73 ALA C C 177.98 . 1 786 73 73 ALA CA C 52.95 . 1 787 73 73 ALA CB C 16.50 . 1 788 73 73 ALA N N 125.64 . 1 789 74 74 ALA H H 7.57 . 1 790 74 74 ALA HA H 4.23 . 1 791 74 74 ALA HB H 1.45 . 1 792 74 74 ALA C C 177.16 . 1 793 74 74 ALA CA C 51.96 . 1 794 74 74 ALA CB C 17.20 . 1 795 74 74 ALA N N 120.89 . 1 796 75 75 TYR H H 7.84 . 1 797 75 75 TYR HA H 4.31 . 1 798 75 75 TYR HB2 H 3.11 . . 799 75 75 TYR HB3 H 3.05 . . 800 75 75 TYR HD1 H 7.14 . 3 801 75 75 TYR HD2 H 7.14 . 3 802 75 75 TYR HE1 H 6.81 . 3 803 75 75 TYR HE2 H 6.81 . 3 804 75 75 TYR C C 174.78 . 1 805 75 75 TYR CA C 58.14 . 1 806 75 75 TYR CB C 37.28 . 1 807 75 75 TYR CD1 C 131.50 . 3 808 75 75 TYR CD2 C 131.50 . 3 809 75 75 TYR CE1 C 116.59 . 3 810 75 75 TYR CE2 C 116.59 . 3 811 75 75 TYR CG C 128.36 . 1 812 75 75 TYR N N 121.18 . 1 813 76 76 ARG H H 7.84 . 1 814 76 76 ARG HA H 4.14 . 1 815 76 76 ARG HB2 H 1.82 . . 816 76 76 ARG HB3 H 1.71 . . 817 76 76 ARG HD2 H 3.15 . 2 818 76 76 ARG HD3 H 3.15 . 2 819 76 76 ARG HE H 7.20 . 1 820 76 76 ARG HG2 H 1.61 . . 821 76 76 ARG HG3 H 1.57 . . 822 76 76 ARG C C 173.98 . 1 823 76 76 ARG CA C 54.57 . 1 824 76 76 ARG CB C 29.34 . 1 825 76 76 ARG N N 122.46 . 1 826 76 76 ARG NE N 86.53 . 1 827 77 77 ALA H H 7.69 . 1 828 77 77 ALA HA H 4.22 . 1 829 77 77 ALA HB H 1.40 . 1 830 77 77 ALA C C 175.13 . 1 831 77 77 ALA CA C 51.02 . 1 832 77 77 ALA CB C 17.52 . 1 833 77 77 ALA N N 125.84 . 1 834 78 78 LYS H H 7.64 . 1 835 78 78 LYS HA H 4.08 . 1 836 78 78 LYS HB2 H 1.76 . . 837 78 78 LYS HB3 H 1.69 . . 838 78 78 LYS HE2 H 2.95 . 2 839 78 78 LYS HE3 H 2.95 . 2 840 78 78 LYS HG2 H 1.38 . 2 841 78 78 LYS HG3 H 1.38 . 2 842 78 78 LYS C C 179.81 . 1 843 78 78 LYS CA C 56.25 . 1 844 78 78 LYS CB C 32.04 . 1 845 78 78 LYS N N 126.80 . 1 stop_ save_