data_27064 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the IgI domain of CD147 ; _BMRB_accession_number 27064 _BMRB_flat_file_name bmr27064.str _Entry_type original _Submission_date 2017-04-05 _Accession_date 2017-04-05 _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 Jin Shujuan . . 2 Xia Bin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 600 "13C chemical shifts" 430 "15N chemical shifts" 113 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-04-10 update BMRB 'update entry citation' 2017-12-14 original author 'original release' stop_ _Original_release_date 2017-04-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Zn(II) can mediate self-association of the extracellular C-terminal domain of CD147. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28822092 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jin Shujuan . . 2 Ding Pengfei . . 3 Chu Pengxiang . . 4 Li Hongwei . . 5 Sun Jianbo . . 6 Liang Dehai . . 7 Song Fei . . 8 Xia Bin . . stop_ _Journal_abbreviation 'Protein Cell' _Journal_name_full 'Protein & cell' _Journal_volume 9 _Journal_issue 3 _Journal_ISSN 1674-8018 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 310 _Page_last 315 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CD147 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CD147 $CD147 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CD147 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CD147 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 107 _Mol_residue_sequence ; IQLHGPPRVKAVKSSEHINE GETAMLVCKSESVPPVTDWA WYKITDSEDKALMNGSESRF FVSSSQGRSELHIENLNMEA DPGQYRCNGTSSKGSDQAII TLRVRSH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 99 ILE 2 100 GLN 3 101 LEU 4 102 HIS 5 103 GLY 6 104 PRO 7 105 PRO 8 106 ARG 9 107 VAL 10 108 LYS 11 109 ALA 12 110 VAL 13 111 LYS 14 112 SER 15 113 SER 16 114 GLU 17 115 HIS 18 116 ILE 19 117 ASN 20 118 GLU 21 119 GLY 22 120 GLU 23 121 THR 24 122 ALA 25 123 MET 26 124 LEU 27 125 VAL 28 126 CYS 29 127 LYS 30 128 SER 31 129 GLU 32 130 SER 33 131 VAL 34 132 PRO 35 133 PRO 36 134 VAL 37 135 THR 38 136 ASP 39 137 TRP 40 138 ALA 41 139 TRP 42 140 TYR 43 141 LYS 44 142 ILE 45 143 THR 46 144 ASP 47 145 SER 48 146 GLU 49 147 ASP 50 148 LYS 51 149 ALA 52 150 LEU 53 151 MET 54 152 ASN 55 153 GLY 56 154 SER 57 155 GLU 58 156 SER 59 157 ARG 60 158 PHE 61 159 PHE 62 160 VAL 63 161 SER 64 162 SER 65 163 SER 66 164 GLN 67 165 GLY 68 166 ARG 69 167 SER 70 168 GLU 71 169 LEU 72 170 HIS 73 171 ILE 74 172 GLU 75 173 ASN 76 174 LEU 77 175 ASN 78 176 MET 79 177 GLU 80 178 ALA 81 179 ASP 82 180 PRO 83 181 GLY 84 182 GLN 85 183 TYR 86 184 ARG 87 185 CYS 88 186 ASN 89 187 GLY 90 188 THR 91 189 SER 92 190 SER 93 191 LYS 94 192 GLY 95 193 SER 96 194 ASP 97 195 GLN 98 196 ALA 99 197 ILE 100 198 ILE 101 199 THR 102 200 LEU 103 201 ARG 104 202 VAL 105 203 ARG 106 204 SER 107 205 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CD147 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 _Variant _Vector_name $CD147 'recombinant technology' . Escherichia coli 'origami B(DE3)' isoform-2 pET21a(+) 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 $CD147 0.5 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' EDTA 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_500 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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 pH 7.0 . 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 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 internal 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 '2D 1H-15N HSQC' 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 CD147 _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 1 100 2 GLN H H 8.517 . . 2 100 2 GLN HA H 4.411 . . 3 100 2 GLN HB2 H 1.991 . . 4 100 2 GLN HB3 H 1.958 . . 5 100 2 GLN HG2 H 2.316 . . 6 100 2 GLN HG3 H 2.316 . . 7 100 2 GLN HE21 H 7.631 . . 8 100 2 GLN HE22 H 6.920 . . 9 100 2 GLN C C 175.147 . . 10 100 2 GLN CA C 55.587 . . 11 100 2 GLN CB C 29.713 . . 12 100 2 GLN CG C 33.863 . . 13 100 2 GLN N N 125.911 . . 14 100 2 GLN NE2 N 113.479 . . 15 101 3 LEU H H 8.446 . . 16 101 3 LEU HA H 4.345 . . 17 101 3 LEU HB2 H 1.493 . . 18 101 3 LEU HB3 H 1.571 . . 19 101 3 LEU HG H 1.560 . . 20 101 3 LEU HD1 H 0.903 . . 21 101 3 LEU HD2 H 0.832 . . 22 101 3 LEU C C 176.906 . . 23 101 3 LEU CA C 54.871 . . 24 101 3 LEU CB C 42.499 . . 25 101 3 LEU CG C 26.985 . . 26 101 3 LEU CD1 C 24.832 . . 27 101 3 LEU CD2 C 23.525 . . 28 101 3 LEU N N 126.020 . . 29 102 4 HIS H H 8.372 . . 30 102 4 HIS HA H 4.835 . . 31 102 4 HIS HB2 H 3.002 . . 32 102 4 HIS HB3 H 3.054 . . 33 102 4 HIS C C 175.957 . . 34 102 4 HIS CA C 55.685 . . 35 102 4 HIS CB C 31.929 . . 36 102 4 HIS N N 122.088 . . 37 103 5 GLY H H 8.595 . . 38 103 5 GLY HA2 H 4.155 . . 39 103 5 GLY HA3 H 4.155 . . 40 103 5 GLY CA C 45.172 . . 41 103 5 GLY N N 111.312 . . 42 104 6 PRO HA H 4.117 . . 43 104 6 PRO HB2 H 2.367 . . 44 104 6 PRO HB3 H 1.925 . . 45 104 6 PRO HG2 H 2.053 . . 46 104 6 PRO HG3 H 2.053 . . 47 104 6 PRO HD2 H 3.625 . . 48 104 6 PRO HD3 H 3.584 . . 49 104 6 PRO CA C 61.281 . . 50 104 6 PRO CB C 30.919 . . 51 104 6 PRO CG C 27.248 . . 52 104 6 PRO CD C 49.975 . . 53 105 7 PRO HA H 4.255 . . 54 105 7 PRO HB2 H 1.239 . . 55 105 7 PRO HB3 H 1.993 . . 56 105 7 PRO HG2 H 1.500 . . 57 105 7 PRO HG3 H 1.759 . . 58 105 7 PRO HD2 H 3.116 . . 59 105 7 PRO HD3 H 3.170 . . 60 105 7 PRO C C 174.903 . . 61 105 7 PRO CA C 62.932 . . 62 105 7 PRO CB C 32.544 . . 63 105 7 PRO CG C 26.714 . . 64 105 7 PRO CD C 49.460 . . 65 106 8 ARG H H 8.029 . . 66 106 8 ARG HA H 5.022 . . 67 106 8 ARG HB2 H 1.610 . . 68 106 8 ARG HB3 H 1.670 . . 69 106 8 ARG HG2 H 1.574 . . 70 106 8 ARG HG3 H 1.509 . . 71 106 8 ARG HD2 H 3.215 . . 72 106 8 ARG HD3 H 3.215 . . 73 106 8 ARG C C 176.779 . . 74 106 8 ARG CA C 53.619 . . 75 106 8 ARG CB C 31.733 . . 76 106 8 ARG CG C 26.823 . . 77 106 8 ARG CD C 43.008 . . 78 106 8 ARG N N 118.278 . . 79 107 9 VAL H H 10.274 . . 80 107 9 VAL HA H 4.678 . . 81 107 9 VAL HB H 1.706 . . 82 107 9 VAL HG1 H 0.926 . . 83 107 9 VAL HG2 H 0.682 . . 84 107 9 VAL C C 173.679 . . 85 107 9 VAL CA C 60.775 . . 86 107 9 VAL CB C 34.135 . . 87 107 9 VAL CG1 C 23.220 . . 88 107 9 VAL CG2 C 21.451 . . 89 107 9 VAL N N 130.562 . . 90 108 10 LYS H H 8.875 . . 91 108 10 LYS HA H 4.697 . . 92 108 10 LYS HB2 H 1.608 . . 93 108 10 LYS HB3 H 1.767 . . 94 108 10 LYS HG2 H 1.371 . . 95 108 10 LYS HG3 H 1.334 . . 96 108 10 LYS HD2 H 1.692 . . 97 108 10 LYS HD3 H 1.692 . . 98 108 10 LYS HE2 H 2.956 . . 99 108 10 LYS HE3 H 2.954 . . 100 108 10 LYS C C 175.372 . . 101 108 10 LYS CA C 54.358 . . 102 108 10 LYS CB C 36.550 . . 103 108 10 LYS CG C 24.435 . . 104 108 10 LYS CD C 29.350 . . 105 108 10 LYS CE C 41.983 . . 106 108 10 LYS N N 123.685 . . 107 109 11 ALA H H 8.780 . . 108 109 11 ALA HA H 4.984 . . 109 109 11 ALA HB H 1.233 . . 110 109 11 ALA C C 178.882 . . 111 109 11 ALA CA C 51.385 . . 112 109 11 ALA CB C 19.813 . . 113 109 11 ALA N N 126.454 . . 114 110 12 VAL H H 8.609 . . 115 110 12 VAL HA H 3.674 . . 116 110 12 VAL HB H 1.975 . . 117 110 12 VAL HG1 H 0.876 . . 118 110 12 VAL HG2 H 0.981 . . 119 110 12 VAL C C 176.798 . . 120 110 12 VAL CA C 66.539 . . 121 110 12 VAL CB C 31.803 . . 122 110 12 VAL CG1 C 23.662 . . 123 110 12 VAL CG2 C 21.078 . . 124 110 12 VAL N N 125.826 . . 125 111 13 LYS H H 7.472 . . 126 111 13 LYS HA H 4.623 . . 127 111 13 LYS HB2 H 1.696 . . 128 111 13 LYS HB3 H 1.910 . . 129 111 13 LYS HG2 H 1.511 . . 130 111 13 LYS HG3 H 1.511 . . 131 111 13 LYS HD2 H 1.790 . . 132 111 13 LYS HD3 H 1.831 . . 133 111 13 LYS HE2 H 3.097 . . 134 111 13 LYS HE3 H 3.092 . . 135 111 13 LYS C C 176.351 . . 136 111 13 LYS CA C 55.830 . . 137 111 13 LYS CB C 35.053 . . 138 111 13 LYS CG C 25.109 . . 139 111 13 LYS CD C 29.371 . . 140 111 13 LYS CE C 42.128 . . 141 111 13 LYS N N 117.758 . . 142 112 14 SER H H 8.873 . . 143 112 14 SER HA H 4.390 . . 144 112 14 SER HB2 H 4.039 . . 145 112 14 SER HB3 H 4.165 . . 146 112 14 SER C C 173.779 . . 147 112 14 SER CA C 60.477 . . 148 112 14 SER CB C 63.901 . . 149 112 14 SER N N 118.869 . . 150 113 15 SER H H 7.692 . . 151 113 15 SER HA H 5.490 . . 152 113 15 SER HB2 H 3.765 . . 153 113 15 SER HB3 H 3.835 . . 154 113 15 SER C C 173.137 . . 155 113 15 SER CA C 57.002 . . 156 113 15 SER CB C 64.969 . . 157 113 15 SER N N 116.900 . . 158 114 16 GLU H H 8.711 . . 159 114 16 GLU HA H 4.938 . . 160 114 16 GLU HB2 H 1.531 . . 161 114 16 GLU HB3 H 1.890 . . 162 114 16 GLU HG2 H 2.036 . . 163 114 16 GLU HG3 H 2.104 . . 164 114 16 GLU C C 175.152 . . 165 114 16 GLU CA C 54.841 . . 166 114 16 GLU CB C 34.243 . . 167 114 16 GLU CG C 34.507 . . 168 114 16 GLU N N 124.134 . . 169 115 17 HIS H H 9.116 . . 170 115 17 HIS HA H 5.517 . . 171 115 17 HIS HB2 H 2.802 . . 172 115 17 HIS HB3 H 3.119 . . 173 115 17 HIS HD2 H 6.484 . . 174 115 17 HIS C C 174.020 . . 175 115 17 HIS CA C 54.175 . . 176 115 17 HIS CB C 31.871 . . 177 115 17 HIS CD2 C 119.881 . . 178 115 17 HIS N N 127.554 . . 179 116 18 ILE H H 8.189 . . 180 116 18 ILE HA H 4.445 . . 181 116 18 ILE HB H 1.478 . . 182 116 18 ILE HG12 H 1.332 . . 183 116 18 ILE HG13 H 1.154 . . 184 116 18 ILE HG2 H 0.952 . . 185 116 18 ILE HD1 H 0.777 . . 186 116 18 ILE C C 174.528 . . 187 116 18 ILE CA C 59.044 . . 188 116 18 ILE CB C 41.468 . . 189 116 18 ILE CG1 C 27.483 . . 190 116 18 ILE CG2 C 18.535 . . 191 116 18 ILE CD1 C 12.776 . . 192 116 18 ILE N N 125.165 . . 193 117 19 ASN H H 8.340 . . 194 117 19 ASN HA H 4.796 . . 195 117 19 ASN HB2 H 2.637 . . 196 117 19 ASN HB3 H 2.570 . . 197 117 19 ASN HD21 H 6.779 . . 198 117 19 ASN HD22 H 7.598 . . 199 117 19 ASN C C 174.648 . . 200 117 19 ASN CA C 53.591 . . 201 117 19 ASN CB C 39.147 . . 202 117 19 ASN N N 125.337 . . 203 117 19 ASN ND2 N 112.784 . . 204 118 20 GLU H H 8.541 . . 205 118 20 GLU HA H 3.617 . . 206 118 20 GLU HB2 H 1.877 . . 207 118 20 GLU HB3 H 1.984 . . 208 118 20 GLU HG2 H 2.249 . . 209 118 20 GLU HG3 H 2.307 . . 210 118 20 GLU C C 176.519 . . 211 118 20 GLU CA C 57.452 . . 212 118 20 GLU CB C 29.866 . . 213 118 20 GLU CG C 35.813 . . 214 118 20 GLU N N 120.651 . . 215 119 21 GLY H H 9.580 . . 216 119 21 GLY HA2 H 4.357 . . 217 119 21 GLY HA3 H 3.865 . . 218 119 21 GLY C C 174.888 . . 219 119 21 GLY CA C 45.335 . . 220 119 21 GLY N N 114.583 . . 221 120 22 GLU H H 7.482 . . 222 120 22 GLU HA H 4.521 . . 223 120 22 GLU HB2 H 2.127 . . 224 120 22 GLU HB3 H 2.198 . . 225 120 22 GLU HG2 H 2.204 . . 226 120 22 GLU HG3 H 2.283 . . 227 120 22 GLU C C 174.074 . . 228 120 22 GLU CA C 55.905 . . 229 120 22 GLU CB C 29.963 . . 230 120 22 GLU CG C 37.391 . . 231 120 22 GLU N N 120.937 . . 232 121 23 THR H H 8.167 . . 233 121 23 THR HA H 5.250 . . 234 121 23 THR HB H 3.947 . . 235 121 23 THR HG2 H 1.014 . . 236 121 23 THR C C 174.763 . . 237 121 23 THR CA C 61.061 . . 238 121 23 THR CB C 70.600 . . 239 121 23 THR CG2 C 21.629 . . 240 121 23 THR N N 114.833 . . 241 122 24 ALA H H 8.774 . . 242 122 24 ALA HA H 4.460 . . 243 122 24 ALA HB H 1.113 . . 244 122 24 ALA C C 175.378 . . 245 122 24 ALA CA C 50.491 . . 246 122 24 ALA CB C 22.142 . . 247 122 24 ALA N N 128.728 . . 248 123 25 MET H H 8.492 . . 249 123 25 MET HA H 4.763 . . 250 123 25 MET HB2 H 1.655 . . 251 123 25 MET HB3 H 1.483 . . 252 123 25 MET HG2 H 1.383 . . 253 123 25 MET HG3 H 1.497 . . 254 123 25 MET HE H 1.818 . . 255 123 25 MET C C 173.534 . . 256 123 25 MET CA C 54.614 . . 257 123 25 MET CB C 33.991 . . 258 123 25 MET CG C 31.103 . . 259 123 25 MET CE C 16.789 . . 260 123 25 MET N N 121.621 . . 261 124 26 LEU H H 9.102 . . 262 124 26 LEU HA H 4.577 . . 263 124 26 LEU HB2 H 1.544 . . 264 124 26 LEU HB3 H 1.419 . . 265 124 26 LEU HG H 1.351 . . 266 124 26 LEU HD1 H 0.350 . . 267 124 26 LEU HD2 H 0.575 . . 268 124 26 LEU C C 175.581 . . 269 124 26 LEU CA C 53.842 . . 270 124 26 LEU CB C 41.599 . . 271 124 26 LEU CG C 27.804 . . 272 124 26 LEU CD1 C 24.960 . . 273 124 26 LEU CD2 C 23.129 . . 274 124 26 LEU N N 129.789 . . 275 125 27 VAL H H 8.547 . . 276 125 27 VAL HA H 5.283 . . 277 125 27 VAL HB H 1.829 . . 278 125 27 VAL HG1 H 0.808 . . 279 125 27 VAL HG2 H 0.808 . . 280 125 27 VAL C C 175.349 . . 281 125 27 VAL CA C 61.319 . . 282 125 27 VAL CB C 35.796 . . 283 125 27 VAL CG1 C 21.882 . . 284 125 27 VAL CG2 C 21.501 . . 285 125 27 VAL N N 121.118 . . 286 126 28 CYS H H 8.975 . . 287 126 28 CYS HA H 5.369 . . 288 126 28 CYS HB2 H 2.780 . . 289 126 28 CYS HB3 H 2.670 . . 290 126 28 CYS C C 171.784 . . 291 126 28 CYS CA C 53.842 . . 292 126 28 CYS CB C 47.913 . . 293 126 28 CYS N N 124.370 . . 294 127 29 LYS H H 9.247 . . 295 127 29 LYS HA H 5.369 . . 296 127 29 LYS HB2 H 1.862 . . 297 127 29 LYS HB3 H 1.775 . . 298 127 29 LYS HG2 H 1.249 . . 299 127 29 LYS HG3 H 1.362 . . 300 127 29 LYS HD2 H 1.616 . . 301 127 29 LYS HD3 H 1.616 . . 302 127 29 LYS HE2 H 2.886 . . 303 127 29 LYS HE3 H 2.886 . . 304 127 29 LYS C C 175.483 . . 305 127 29 LYS CA C 54.616 . . 306 127 29 LYS CB C 37.343 . . 307 127 29 LYS CG C 24.452 . . 308 127 29 LYS CD C 29.616 . . 309 127 29 LYS CE C 41.943 . . 310 127 29 LYS N N 117.820 . . 311 128 30 SER H H 8.721 . . 312 128 30 SER HA H 4.974 . . 313 128 30 SER HB2 H 3.632 . . 314 128 30 SER HB3 H 3.948 . . 315 128 30 SER C C 170.762 . . 316 128 30 SER CA C 57.841 . . 317 128 30 SER CB C 66.475 . . 318 128 30 SER N N 112.859 . . 319 129 31 GLU HA H 4.777 . . 320 129 31 GLU HB2 H 2.303 . . 321 129 31 GLU HB3 H 1.879 . . 322 129 31 GLU HG2 H 2.301 . . 323 129 31 GLU HG3 H 2.225 . . 324 129 31 GLU C C 175.744 . . 325 129 31 GLU CA C 55.283 . . 326 129 31 GLU CB C 29.913 . . 327 129 31 GLU CG C 36.312 . . 328 130 32 SER H H 8.305 . . 329 130 32 SER HA H 4.322 . . 330 130 32 SER HB2 H 3.908 . . 331 130 32 SER HB3 H 3.496 . . 332 130 32 SER C C 171.758 . . 333 130 32 SER CA C 60.335 . . 334 130 32 SER CB C 64.539 . . 335 130 32 SER N N 118.154 . . 336 131 33 VAL H H 8.110 . . 337 131 33 VAL HA H 3.746 . . 338 131 33 VAL HB H 1.762 . . 339 131 33 VAL HG1 H 0.808 . . 340 131 33 VAL HG2 H 0.750 . . 341 131 33 VAL CA C 60.046 . . 342 131 33 VAL CB C 35.280 . . 343 131 33 VAL CG1 C 20.536 . . 344 131 33 VAL CG2 C 20.766 . . 345 131 33 VAL N N 122.139 . . 346 132 34 PRO HA H 4.694 . . 347 132 34 PRO HB2 H 2.237 . . 348 132 34 PRO HB3 H 2.412 . . 349 132 34 PRO HG2 H 1.640 . . 350 132 34 PRO HG3 H 1.839 . . 351 132 34 PRO HD2 H 3.153 . . 352 132 34 PRO HD3 H 3.692 . . 353 132 34 PRO CA C 61.535 . . 354 132 34 PRO CB C 33.185 . . 355 132 34 PRO CG C 25.481 . . 356 132 34 PRO CD C 49.975 . . 357 133 35 PRO HA H 4.479 . . 358 133 35 PRO HB2 H 1.602 . . 359 133 35 PRO HB3 H 2.246 . . 360 133 35 PRO HG2 H 1.922 . . 361 133 35 PRO HG3 H 2.035 . . 362 133 35 PRO HD2 H 3.646 . . 363 133 35 PRO HD3 H 3.718 . . 364 133 35 PRO C C 177.080 . . 365 133 35 PRO CA C 62.091 . . 366 133 35 PRO CB C 32.396 . . 367 133 35 PRO CG C 27.546 . . 368 133 35 PRO CD C 50.501 . . 369 134 36 VAL H H 8.339 . . 370 134 36 VAL HA H 3.293 . . 371 134 36 VAL HB H 1.571 . . 372 134 36 VAL HG1 H 0.503 . . 373 134 36 VAL HG2 H -0.446 . . 374 134 36 VAL C C 176.096 . . 375 134 36 VAL CA C 63.757 . . 376 134 36 VAL CB C 31.624 . . 377 134 36 VAL CG1 C 22.840 . . 378 134 36 VAL CG2 C 20.327 . . 379 134 36 VAL N N 121.019 . . 380 135 37 THR H H 7.932 . . 381 135 37 THR HA H 4.470 . . 382 135 37 THR HB H 4.345 . . 383 135 37 THR HG2 H 1.162 . . 384 135 37 THR C C 173.906 . . 385 135 37 THR CA C 61.721 . . 386 135 37 THR CB C 69.947 . . 387 135 37 THR CG2 C 21.359 . . 388 135 37 THR N N 117.758 . . 389 136 38 ASP H H 7.380 . . 390 136 38 ASP HA H 5.099 . . 391 136 38 ASP HB2 H 2.389 . . 392 136 38 ASP HB3 H 2.527 . . 393 136 38 ASP C C 173.660 . . 394 136 38 ASP CA C 53.585 . . 395 136 38 ASP CB C 43.307 . . 396 136 38 ASP N N 124.439 . . 397 137 39 TRP H H 8.794 . . 398 137 39 TRP HA H 5.632 . . 399 137 39 TRP HB2 H 3.057 . . 400 137 39 TRP HB3 H 2.972 . . 401 137 39 TRP HD1 H 7.073 . . 402 137 39 TRP HE1 H 9.161 . . 403 137 39 TRP HE3 H 7.073 . . 404 137 39 TRP HZ2 H 6.767 . . 405 137 39 TRP HZ3 H 6.663 . . 406 137 39 TRP HH2 H 6.468 . . 407 137 39 TRP C C 175.792 . . 408 137 39 TRP CA C 55.573 . . 409 137 39 TRP CB C 33.689 . . 410 137 39 TRP CD1 C 127.477 . . 411 137 39 TRP CE3 C 120.514 . . 412 137 39 TRP CZ2 C 113.551 . . 413 137 39 TRP CZ3 C 121.569 . . 414 137 39 TRP CH2 C 122.624 . . 415 137 39 TRP N N 124.720 . . 416 137 39 TRP NE1 N 128.500 . . 417 138 40 ALA H H 9.058 . . 418 138 40 ALA HA H 4.724 . . 419 138 40 ALA HB H 1.441 . . 420 138 40 ALA C C 174.615 . . 421 138 40 ALA CA C 51.804 . . 422 138 40 ALA CB C 23.421 . . 423 138 40 ALA N N 125.899 . . 424 139 41 TRP H H 8.757 . . 425 139 41 TRP HA H 5.634 . . 426 139 41 TRP HB2 H 2.882 . . 427 139 41 TRP HB3 H 3.118 . . 428 139 41 TRP HD1 H 6.909 . . 429 139 41 TRP HE1 H 10.100 . . 430 139 41 TRP HZ2 H 7.145 . . 431 139 41 TRP HH2 H 6.707 . . 432 139 41 TRP C C 176.149 . . 433 139 41 TRP CA C 56.419 . . 434 139 41 TRP CB C 33.331 . . 435 139 41 TRP CD1 C 126.000 . . 436 139 41 TRP CZ2 C 114.184 . . 437 139 41 TRP CH2 C 126.633 . . 438 139 41 TRP N N 121.225 . . 439 139 41 TRP NE1 N 129.138 . . 440 140 42 TYR H H 9.415 . . 441 140 42 TYR HA H 5.411 . . 442 140 42 TYR HB2 H 2.485 . . 443 140 42 TYR HB3 H 2.597 . . 444 140 42 TYR HD1 H 6.739 . . 445 140 42 TYR HE1 H 6.647 . . 446 140 42 TYR C C 175.057 . . 447 140 42 TYR CA C 56.163 . . 448 140 42 TYR CB C 43.364 . . 449 140 42 TYR CD1 C 132.963 . . 450 140 42 TYR CE1 C 118.404 . . 451 140 42 TYR N N 118.029 . . 452 141 43 LYS H H 9.327 . . 453 141 43 LYS HA H 4.537 . . 454 141 43 LYS HB2 H 1.769 . . 455 141 43 LYS HB3 H 1.400 . . 456 141 43 LYS HG2 H 0.638 . . 457 141 43 LYS HG3 H 1.186 . . 458 141 43 LYS HD2 H 1.300 . . 459 141 43 LYS HD3 H 1.394 . . 460 141 43 LYS HE2 H 2.789 . . 461 141 43 LYS HE3 H 2.856 . . 462 141 43 LYS C C 175.622 . . 463 141 43 LYS CA C 54.910 . . 464 141 43 LYS CB C 35.487 . . 465 141 43 LYS CG C 25.226 . . 466 141 43 LYS CD C 29.093 . . 467 141 43 LYS CE C 43.371 . . 468 141 43 LYS N N 123.604 . . 469 142 44 ILE H H 8.442 . . 470 142 44 ILE HA H 4.267 . . 471 142 44 ILE HB H 1.790 . . 472 142 44 ILE HG12 H 1.045 . . 473 142 44 ILE HG13 H 1.297 . . 474 142 44 ILE HG2 H 0.850 . . 475 142 44 ILE HD1 H 0.663 . . 476 142 44 ILE C C 176.606 . . 477 142 44 ILE CA C 61.577 . . 478 142 44 ILE CB C 37.343 . . 479 142 44 ILE CG1 C 27.544 . . 480 142 44 ILE CG2 C 17.384 . . 481 142 44 ILE CD1 C 13.136 . . 482 142 44 ILE N N 129.450 . . 483 143 45 THR H H 8.616 . . 484 143 45 THR HA H 4.900 . . 485 143 45 THR HB H 4.540 . . 486 143 45 THR HG2 H 1.234 . . 487 143 45 THR C C 173.996 . . 488 143 45 THR CA C 60.158 . . 489 143 45 THR CB C 71.464 . . 490 143 45 THR CG2 C 21.087 . . 491 143 45 THR N N 121.185 . . 492 144 46 ASP H H 8.594 . . 493 144 46 ASP HA H 4.406 . . 494 144 46 ASP HB2 H 2.732 . . 495 144 46 ASP HB3 H 2.711 . . 496 144 46 ASP C C 176.783 . . 497 144 46 ASP CA C 56.101 . . 498 144 46 ASP CB C 40.477 . . 499 144 46 ASP N N 119.205 . . 500 145 47 SER H H 8.261 . . 501 145 47 SER HA H 4.482 . . 502 145 47 SER HB2 H 3.793 . . 503 145 47 SER HB3 H 3.898 . . 504 145 47 SER C C 173.926 . . 505 145 47 SER CA C 57.967 . . 506 145 47 SER CB C 63.975 . . 507 145 47 SER N N 113.283 . . 508 146 48 GLU H H 7.714 . . 509 146 48 GLU HA H 4.451 . . 510 146 48 GLU HB2 H 1.917 . . 511 146 48 GLU HB3 H 2.060 . . 512 146 48 GLU HG2 H 2.110 . . 513 146 48 GLU HG3 H 2.110 . . 514 146 48 GLU C C 175.381 . . 515 146 48 GLU CA C 55.977 . . 516 146 48 GLU CB C 31.742 . . 517 146 48 GLU CG C 35.550 . . 518 146 48 GLU N N 121.452 . . 519 147 49 ASP H H 8.758 . . 520 147 49 ASP HA H 4.922 . . 521 147 49 ASP HB2 H 2.442 . . 522 147 49 ASP HB3 H 2.195 . . 523 147 49 ASP C C 173.691 . . 524 147 49 ASP CA C 54.122 . . 525 147 49 ASP CB C 40.436 . . 526 147 49 ASP N N 126.540 . . 527 148 50 LYS H H 9.058 . . 528 148 50 LYS HA H 4.532 . . 529 148 50 LYS HB2 H 1.758 . . 530 148 50 LYS HB3 H 1.887 . . 531 148 50 LYS HG2 H 1.410 . . 532 148 50 LYS HG3 H 1.239 . . 533 148 50 LYS HD2 H 1.553 . . 534 148 50 LYS HD3 H 1.671 . . 535 148 50 LYS HE2 H 2.883 . . 536 148 50 LYS HE3 H 3.089 . . 537 148 50 LYS C C 175.541 . . 538 148 50 LYS CA C 55.389 . . 539 148 50 LYS CB C 34.249 . . 540 148 50 LYS CG C 24.719 . . 541 148 50 LYS CD C 29.521 . . 542 148 50 LYS CE C 42.130 . . 543 148 50 LYS N N 125.938 . . 544 149 51 ALA H H 8.894 . . 545 149 51 ALA HA H 4.022 . . 546 149 51 ALA HB H 1.346 . . 547 149 51 ALA C C 177.276 . . 548 149 51 ALA CA C 53.146 . . 549 149 51 ALA CB C 18.686 . . 550 149 51 ALA N N 131.078 . . 551 150 52 LEU H H 8.033 . . 552 150 52 LEU HA H 4.314 . . 553 150 52 LEU HB2 H 0.699 . . 554 150 52 LEU HB3 H 1.555 . . 555 150 52 LEU HG H 1.577 . . 556 150 52 LEU HD1 H 0.859 . . 557 150 52 LEU HD2 H 0.191 . . 558 150 52 LEU C C 174.885 . . 559 150 52 LEU CA C 53.127 . . 560 150 52 LEU CB C 41.417 . . 561 150 52 LEU CG C 25.999 . . 562 150 52 LEU CD1 C 27.288 . . 563 150 52 LEU CD2 C 21.865 . . 564 150 52 LEU N N 125.474 . . 565 151 53 MET H H 7.936 . . 566 151 53 MET HA H 4.611 . . 567 151 53 MET HB2 H 1.938 . . 568 151 53 MET HB3 H 2.090 . . 569 151 53 MET HG2 H 2.468 . . 570 151 53 MET HG3 H 2.578 . . 571 151 53 MET C C 176.184 . . 572 151 53 MET CA C 53.842 . . 573 151 53 MET CB C 33.930 . . 574 151 53 MET CG C 32.155 . . 575 151 53 MET N N 120.630 . . 576 152 54 ASN H H 8.869 . . 577 152 54 ASN HA H 4.458 . . 578 152 54 ASN HB2 H 2.820 . . 579 152 54 ASN HB3 H 2.904 . . 580 152 54 ASN HD21 H 7.819 . . 581 152 54 ASN HD22 H 7.244 . . 582 152 54 ASN C C 176.273 . . 583 152 54 ASN CA C 55.647 . . 584 152 54 ASN CB C 39.147 . . 585 152 54 ASN N N 120.348 . . 586 152 54 ASN ND2 N 114.462 . . 587 153 55 GLY H H 9.203 . . 588 153 55 GLY HA2 H 3.503 . . 589 153 55 GLY HA3 H 4.289 . . 590 153 55 GLY C C 175.167 . . 591 153 55 GLY CA C 45.335 . . 592 153 55 GLY N N 115.510 . . 593 154 56 SER H H 8.242 . . 594 154 56 SER HA H 4.266 . . 595 154 56 SER HB2 H 3.905 . . 596 154 56 SER HB3 H 4.002 . . 597 154 56 SER C C 175.670 . . 598 154 56 SER CA C 60.771 . . 599 154 56 SER CB C 63.295 . . 600 154 56 SER N N 119.045 . . 601 155 57 GLU H H 9.078 . . 602 155 57 GLU HA H 4.194 . . 603 155 57 GLU HB2 H 2.145 . . 604 155 57 GLU HB3 H 2.358 . . 605 155 57 GLU HG2 H 2.289 . . 606 155 57 GLU HG3 H 2.289 . . 607 155 57 GLU CA C 57.305 . . 608 155 57 GLU CB C 29.314 . . 609 155 57 GLU CG C 36.727 . . 610 155 57 GLU N N 122.305 . . 611 156 58 SER H H 8.378 . . 612 156 58 SER HA H 4.782 . . 613 156 58 SER HB2 H 4.128 . . 614 156 58 SER HB3 H 4.063 . . 615 156 58 SER CA C 59.360 . . 616 156 58 SER CB C 63.160 . . 617 156 58 SER N N 113.101 . . 618 157 59 ARG H H 8.047 . . 619 157 59 ARG HA H 4.492 . . 620 157 59 ARG HB2 H 1.701 . . 621 157 59 ARG HB3 H 1.646 . . 622 157 59 ARG HG2 H 1.323 . . 623 157 59 ARG HG3 H 1.248 . . 624 157 59 ARG HD2 H 3.169 . . 625 157 59 ARG HD3 H 3.176 . . 626 157 59 ARG HE H 6.825 . . 627 157 59 ARG C C 172.721 . . 628 157 59 ARG CA C 56.936 . . 629 157 59 ARG CB C 31.671 . . 630 157 59 ARG CG C 28.108 . . 631 157 59 ARG CD C 42.757 . . 632 157 59 ARG N N 117.328 . . 633 157 59 ARG NE N 82.282 . . 634 158 60 PHE H H 7.218 . . 635 158 60 PHE HA H 5.264 . . 636 158 60 PHE HB2 H 2.993 . . 637 158 60 PHE HB3 H 2.447 . . 638 158 60 PHE HD2 H 7.097 . . 639 158 60 PHE HE2 H 7.226 . . 640 158 60 PHE C C 174.620 . . 641 158 60 PHE CA C 56.163 . . 642 158 60 PHE CB C 40.437 . . 643 158 60 PHE CD2 C 132.119 . . 644 158 60 PHE CE2 C 131.697 . . 645 158 60 PHE N N 118.376 . . 646 159 61 PHE H H 8.999 . . 647 159 61 PHE HA H 4.973 . . 648 159 61 PHE HB2 H 2.663 . . 649 159 61 PHE HB3 H 3.041 . . 650 159 61 PHE HD1 H 6.997 . . 651 159 61 PHE HE1 H 7.042 . . 652 159 61 PHE CA C 56.722 . . 653 159 61 PHE CB C 42.238 . . 654 159 61 PHE CD1 C 132.541 . . 655 159 61 PHE CE1 C 131.068 . . 656 159 61 PHE N N 120.782 . . 657 160 62 VAL H H 9.051 . . 658 160 62 VAL HA H 4.924 . . 659 160 62 VAL HB H 1.808 . . 660 160 62 VAL HG1 H 0.757 . . 661 160 62 VAL HG2 H 0.964 . . 662 160 62 VAL C C 176.119 . . 663 160 62 VAL CA C 60.693 . . 664 160 62 VAL CB C 35.166 . . 665 160 62 VAL CG1 C 21.101 . . 666 160 62 VAL CG2 C 21.820 . . 667 160 62 VAL N N 125.853 . . 668 161 63 SER H H 9.033 . . 669 161 63 SER HA H 4.837 . . 670 161 63 SER HB2 H 3.645 . . 671 161 63 SER HB3 H 3.829 . . 672 161 63 SER C C 174.565 . . 673 161 63 SER CA C 56.404 . . 674 161 63 SER CB C 64.495 . . 675 161 63 SER N N 123.446 . . 676 162 64 SER H H 9.120 . . 677 162 64 SER HA H 5.283 . . 678 162 64 SER HB2 H 3.918 . . 679 162 64 SER HB3 H 4.139 . . 680 162 64 SER C C 172.295 . . 681 162 64 SER CA C 57.452 . . 682 162 64 SER CB C 65.923 . . 683 162 64 SER N N 124.843 . . 684 163 65 SER H H 9.216 . . 685 163 65 SER HA H 4.779 . . 686 163 65 SER HB2 H 3.934 . . 687 163 65 SER HB3 H 4.031 . . 688 163 65 SER C C 174.335 . . 689 163 65 SER CA C 57.499 . . 690 163 65 SER CB C 65.021 . . 691 163 65 SER N N 119.923 . . 692 164 66 GLN H H 8.826 . . 693 164 66 GLN HA H 4.425 . . 694 164 66 GLN HB2 H 2.108 . . 695 164 66 GLN HB3 H 2.194 . . 696 164 66 GLN HG2 H 2.385 . . 697 164 66 GLN HG3 H 2.444 . . 698 164 66 GLN HE21 H 6.956 . . 699 164 66 GLN HE22 H 7.648 . . 700 164 66 GLN C C 177.967 . . 701 164 66 GLN CA C 58.507 . . 702 164 66 GLN CB C 28.061 . . 703 164 66 GLN CG C 34.483 . . 704 164 66 GLN N N 121.108 . . 705 164 66 GLN NE2 N 112.605 . . 706 165 67 GLY H H 9.227 . . 707 165 67 GLY HA2 H 4.523 . . 708 165 67 GLY HA3 H 4.193 . . 709 165 67 GLY C C 173.861 . . 710 165 67 GLY CA C 46.981 . . 711 165 67 GLY N N 112.360 . . 712 166 68 ARG H H 7.964 . . 713 166 68 ARG HA H 4.948 . . 714 166 68 ARG HB2 H 1.539 . . 715 166 68 ARG HB3 H 1.716 . . 716 166 68 ARG HG2 H 1.268 . . 717 166 68 ARG HG3 H 1.373 . . 718 166 68 ARG HD2 H 3.011 . . 719 166 68 ARG HD3 H 3.127 . . 720 166 68 ARG C C 175.971 . . 721 166 68 ARG CA C 55.647 . . 722 166 68 ARG CB C 33.694 . . 723 166 68 ARG CG C 28.012 . . 724 166 68 ARG CD C 43.313 . . 725 166 68 ARG N N 122.930 . . 726 167 69 SER H H 8.124 . . 727 167 69 SER HA H 4.642 . . 728 167 69 SER HB2 H 2.001 . . 729 167 69 SER HB3 H 2.211 . . 730 167 69 SER C C 172.270 . . 731 167 69 SER CA C 57.191 . . 732 167 69 SER CB C 63.241 . . 733 167 69 SER N N 117.788 . . 734 168 70 GLU H H 8.579 . . 735 168 70 GLU HA H 5.335 . . 736 168 70 GLU HB2 H 1.583 . . 737 168 70 GLU HB3 H 2.066 . . 738 168 70 GLU HG2 H 2.192 . . 739 168 70 GLU HG3 H 2.192 . . 740 168 70 GLU CA C 53.069 . . 741 168 70 GLU CB C 33.188 . . 742 168 70 GLU CG C 35.494 . . 743 168 70 GLU N N 126.531 . . 744 169 71 LEU H H 8.786 . . 745 169 71 LEU HA H 4.431 . . 746 169 71 LEU HB2 H -1.230 . . 747 169 71 LEU HB3 H 0.142 . . 748 169 71 LEU HG H 0.777 . . 749 169 71 LEU HD1 H 0.424 . . 750 169 71 LEU HD2 H 0.343 . . 751 169 71 LEU C C 174.670 . . 752 169 71 LEU CA C 53.069 . . 753 169 71 LEU CB C 41.059 . . 754 169 71 LEU CG C 27.181 . . 755 169 71 LEU CD1 C 23.421 . . 756 169 71 LEU CD2 C 27.795 . . 757 169 71 LEU N N 126.432 . . 758 170 72 HIS H H 9.546 . . 759 170 72 HIS HA H 5.366 . . 760 170 72 HIS HB2 H 3.059 . . 761 170 72 HIS HB3 H 2.740 . . 762 170 72 HIS HD2 H 6.703 . . 763 170 72 HIS HE1 H 7.149 . . 764 170 72 HIS C C 174.515 . . 765 170 72 HIS CA C 53.354 . . 766 170 72 HIS CB C 31.720 . . 767 170 72 HIS CD2 C 117.349 . . 768 170 72 HIS CE1 C 114.184 . . 769 170 72 HIS N N 127.485 . . 770 171 73 ILE H H 8.564 . . 771 171 73 ILE HA H 4.326 . . 772 171 73 ILE HB H 1.344 . . 773 171 73 ILE HG12 H 0.581 . . 774 171 73 ILE HG13 H 1.045 . . 775 171 73 ILE HG2 H 0.185 . . 776 171 73 ILE HD1 H 0.258 . . 777 171 73 ILE C C 175.251 . . 778 171 73 ILE CA C 60.273 . . 779 171 73 ILE CB C 40.106 . . 780 171 73 ILE CG1 C 25.474 . . 781 171 73 ILE CG2 C 17.749 . . 782 171 73 ILE CD1 C 13.610 . . 783 171 73 ILE N N 122.673 . . 784 172 74 GLU H H 8.655 . . 785 172 74 GLU HA H 4.441 . . 786 172 74 GLU HB2 H 1.938 . . 787 172 74 GLU HB3 H 1.942 . . 788 172 74 GLU HG2 H 2.263 . . 789 172 74 GLU HG3 H 2.349 . . 790 172 74 GLU C C 175.531 . . 791 172 74 GLU CA C 55.602 . . 792 172 74 GLU CB C 31.481 . . 793 172 74 GLU CG C 36.582 . . 794 172 74 GLU N N 124.993 . . 795 173 75 ASN H H 8.223 . . 796 173 75 ASN HA H 3.946 . . 797 173 75 ASN HB2 H 2.505 . . 798 173 75 ASN HB3 H 3.020 . . 799 173 75 ASN HD21 H 7.331 . . 800 173 75 ASN HD22 H 6.792 . . 801 173 75 ASN C C 174.080 . . 802 173 75 ASN CA C 52.889 . . 803 173 75 ASN CB C 36.909 . . 804 173 75 ASN N N 117.774 . . 805 173 75 ASN ND2 N 111.744 . . 806 174 76 LEU H H 8.117 . . 807 174 76 LEU HA H 4.006 . . 808 174 76 LEU HB2 H 1.245 . . 809 174 76 LEU HB3 H 1.672 . . 810 174 76 LEU HG H 0.702 . . 811 174 76 LEU HD1 H 1.699 . . 812 174 76 LEU HD2 H 0.682 . . 813 174 76 LEU C C 178.329 . . 814 174 76 LEU CA C 56.097 . . 815 174 76 LEU CB C 43.797 . . 816 174 76 LEU CG C 26.885 . . 817 174 76 LEU CD1 C 26.773 . . 818 174 76 LEU CD2 C 25.372 . . 819 174 76 LEU N N 117.774 . . 820 175 77 ASN H H 10.193 . . 821 175 77 ASN HA H 5.089 . . 822 175 77 ASN HB2 H 2.726 . . 823 175 77 ASN HB3 H 2.981 . . 824 175 77 ASN HD21 H 6.929 . . 825 175 77 ASN HD22 H 8.034 . . 826 175 77 ASN C C 175.155 . . 827 175 77 ASN CA C 51.910 . . 828 175 77 ASN CB C 42.011 . . 829 175 77 ASN N N 125.423 . . 830 175 77 ASN ND2 N 116.657 . . 831 176 78 MET H H 9.156 . . 832 176 78 MET HA H 4.024 . . 833 176 78 MET HB2 H 2.000 . . 834 176 78 MET HB3 H 2.073 . . 835 176 78 MET HG2 H 2.470 . . 836 176 78 MET HG3 H 2.537 . . 837 176 78 MET HE H 2.082 . . 838 176 78 MET C C 174.444 . . 839 176 78 MET CA C 57.307 . . 840 176 78 MET CB C 33.196 . . 841 176 78 MET CG C 32.187 . . 842 176 78 MET CE C 17.166 . . 843 176 78 MET N N 121.982 . . 844 177 79 GLU H H 8.096 . . 845 177 79 GLU HA H 4.287 . . 846 177 79 GLU HB2 H 2.026 . . 847 177 79 GLU HB3 H 2.050 . . 848 177 79 GLU HG2 H 2.254 . . 849 177 79 GLU HG3 H 2.254 . . 850 177 79 GLU C C 177.532 . . 851 177 79 GLU CA C 58.225 . . 852 177 79 GLU CB C 30.473 . . 853 177 79 GLU CG C 36.552 . . 854 177 79 GLU N N 117.688 . . 855 178 80 ALA H H 8.221 . . 856 178 80 ALA HA H 4.439 . . 857 178 80 ALA HB H 1.403 . . 858 178 80 ALA C C 178.157 . . 859 178 80 ALA CA C 53.842 . . 860 178 80 ALA CB C 20.843 . . 861 178 80 ALA N N 120.782 . . 862 179 81 ASP H H 7.620 . . 863 179 81 ASP HA H 4.932 . . 864 179 81 ASP HB2 H 2.431 . . 865 179 81 ASP HB3 H 3.008 . . 866 179 81 ASP CA C 57.583 . . 867 179 81 ASP CB C 40.745 . . 868 179 81 ASP N N 117.258 . . 869 180 82 PRO HA H 4.329 . . 870 180 82 PRO HB2 H 1.916 . . 871 180 82 PRO HB3 H 2.454 . . 872 180 82 PRO HG2 H 1.880 . . 873 180 82 PRO HG3 H 2.365 . . 874 180 82 PRO HD2 H 3.332 . . 875 180 82 PRO HD3 H 3.994 . . 876 180 82 PRO C C 176.132 . . 877 180 82 PRO CA C 65.444 . . 878 180 82 PRO CB C 31.671 . . 879 180 82 PRO CG C 29.281 . . 880 180 82 PRO CD C 51.402 . . 881 181 83 GLY H H 8.887 . . 882 181 83 GLY HA2 H 3.865 . . 883 181 83 GLY HA3 H 4.606 . . 884 181 83 GLY C C 171.580 . . 885 181 83 GLY CA C 44.359 . . 886 181 83 GLY N N 110.361 . . 887 182 84 GLN H H 8.794 . . 888 182 84 GLN HA H 5.264 . . 889 182 84 GLN HB2 H 1.769 . . 890 182 84 GLN HB3 H 2.012 . . 891 182 84 GLN HG2 H 2.280 . . 892 182 84 GLN HG3 H 2.419 . . 893 182 84 GLN HE21 H 7.270 . . 894 182 84 GLN HE22 H 6.772 . . 895 182 84 GLN C C 174.129 . . 896 182 84 GLN CA C 55.389 . . 897 182 84 GLN CB C 32.224 . . 898 182 84 GLN CG C 35.086 . . 899 182 84 GLN N N 120.248 . . 900 182 84 GLN NE2 N 111.744 . . 901 183 85 TYR H H 9.604 . . 902 183 85 TYR HA H 5.201 . . 903 183 85 TYR HB2 H 2.949 . . 904 183 85 TYR HB3 H 2.937 . . 905 183 85 TYR HD2 H 6.959 . . 906 183 85 TYR HE2 H 6.636 . . 907 183 85 TYR C C 173.866 . . 908 183 85 TYR CA C 57.061 . . 909 183 85 TYR CB C 42.063 . . 910 183 85 TYR CD2 C 132.963 . . 911 183 85 TYR CE2 C 117.349 . . 912 183 85 TYR N N 123.102 . . 913 184 86 ARG H H 9.681 . . 914 184 86 ARG HA H 5.644 . . 915 184 86 ARG HB2 H 1.460 . . 916 184 86 ARG HB3 H 1.789 . . 917 184 86 ARG HG2 H 1.271 . . 918 184 86 ARG HG3 H 1.540 . . 919 184 86 ARG HD2 H 2.876 . . 920 184 86 ARG HD3 H 2.876 . . 921 184 86 ARG HE H 7.565 . . 922 184 86 ARG C C 174.686 . . 923 184 86 ARG CA C 53.396 . . 924 184 86 ARG CB C 36.034 . . 925 184 86 ARG CG C 27.177 . . 926 184 86 ARG CD C 43.456 . . 927 184 86 ARG N N 123.515 . . 928 184 86 ARG NE N 83.948 . . 929 185 87 CYS H H 8.843 . . 930 185 87 CYS HA H 4.725 . . 931 185 87 CYS HB2 H 0.684 . . 932 185 87 CYS HB3 H 2.330 . . 933 185 87 CYS C C 172.415 . . 934 185 87 CYS CA C 52.399 . . 935 185 87 CYS CB C 42.458 . . 936 185 87 CYS N N 122.329 . . 937 186 88 ASN H H 9.450 . . 938 186 88 ASN HA H 5.258 . . 939 186 88 ASN HB2 H 2.755 . . 940 186 88 ASN HB3 H 2.460 . . 941 186 88 ASN HD21 H 6.249 . . 942 186 88 ASN HD22 H 7.226 . . 943 186 88 ASN C C 174.381 . . 944 186 88 ASN CA C 52.310 . . 945 186 88 ASN CB C 42.006 . . 946 186 88 ASN N N 123.253 . . 947 186 88 ASN ND2 N 111.414 . . 948 187 89 GLY H H 8.889 . . 949 187 89 GLY HA2 H 2.061 . . 950 187 89 GLY HA3 H 4.299 . . 951 187 89 GLY C C 171.337 . . 952 187 89 GLY CA C 44.997 . . 953 187 89 GLY N N 113.391 . . 954 188 90 THR H H 8.447 . . 955 188 90 THR HA H 4.921 . . 956 188 90 THR HB H 3.777 . . 957 188 90 THR HG2 H 1.177 . . 958 188 90 THR C C 172.771 . . 959 188 90 THR CA C 62.064 . . 960 188 90 THR CB C 71.684 . . 961 188 90 THR CG2 C 21.685 . . 962 188 90 THR N N 121.469 . . 963 189 91 SER H H 9.468 . . 964 189 91 SER HA H 5.061 . . 965 189 91 SER HB2 H 3.219 . . 966 189 91 SER HB3 H 3.929 . . 967 189 91 SER C C 174.894 . . 968 189 91 SER CA C 55.123 . . 969 189 91 SER CB C 69.827 . . 970 189 91 SER N N 124.735 . . 971 190 92 SER H H 8.846 . . 972 190 92 SER HA H 4.214 . . 973 190 92 SER HB2 H 3.848 . . 974 190 92 SER HB3 H 4.000 . . 975 190 92 SER C C 175.262 . . 976 190 92 SER CA C 60.496 . . 977 190 92 SER CB C 62.788 . . 978 190 92 SER N N 114.856 . . 979 191 93 LYS H H 8.025 . . 980 191 93 LYS HA H 4.546 . . 981 191 93 LYS HB2 H 1.796 . . 982 191 93 LYS HB3 H 1.294 . . 983 191 93 LYS HG2 H 1.246 . . 984 191 93 LYS HG3 H 1.246 . . 985 191 93 LYS HD2 H 1.534 . . 986 191 93 LYS HD3 H 1.627 . . 987 191 93 LYS HE2 H 2.848 . . 988 191 93 LYS HE3 H 2.885 . . 989 191 93 LYS C C 175.654 . . 990 191 93 LYS CA C 54.286 . . 991 191 93 LYS CB C 33.977 . . 992 191 93 LYS CG C 24.986 . . 993 191 93 LYS CD C 28.027 . . 994 191 93 LYS CE C 42.112 . . 995 191 93 LYS N N 118.977 . . 996 192 94 GLY H H 7.381 . . 997 192 94 GLY HA2 H 3.825 . . 998 192 94 GLY HA3 H 4.527 . . 999 192 94 GLY C C 170.276 . . 1000 192 94 GLY CA C 45.118 . . 1001 192 94 GLY N N 108.302 . . 1002 193 95 SER H H 8.476 . . 1003 193 95 SER HA H 5.587 . . 1004 193 95 SER HB2 H 3.749 . . 1005 193 95 SER HB3 H 3.580 . . 1006 193 95 SER C C 172.666 . . 1007 193 95 SER CA C 56.924 . . 1008 193 95 SER CB C 66.923 . . 1009 193 95 SER N N 114.323 . . 1010 194 96 ASP H H 8.751 . . 1011 194 96 ASP HA H 4.930 . . 1012 194 96 ASP HB2 H 2.030 . . 1013 194 96 ASP HB3 H 2.891 . . 1014 194 96 ASP C C 177.475 . . 1015 194 96 ASP CA C 53.544 . . 1016 194 96 ASP CB C 45.030 . . 1017 194 96 ASP N N 120.250 . . 1018 195 97 GLN H H 7.952 . . 1019 195 97 GLN HA H 5.746 . . 1020 195 97 GLN HB2 H 1.738 . . 1021 195 97 GLN HB3 H 2.237 . . 1022 195 97 GLN HG2 H 2.069 . . 1023 195 97 GLN HG3 H 2.072 . . 1024 195 97 GLN HE21 H 7.427 . . 1025 195 97 GLN HE22 H 6.692 . . 1026 195 97 GLN C C 173.554 . . 1027 195 97 GLN CA C 53.585 . . 1028 195 97 GLN CB C 32.517 . . 1029 195 97 GLN CG C 32.444 . . 1030 195 97 GLN N N 116.485 . . 1031 195 97 GLN NE2 N 112.188 . . 1032 196 98 ALA H H 8.244 . . 1033 196 98 ALA HA H 4.729 . . 1034 196 98 ALA HB H 1.402 . . 1035 196 98 ALA C C 174.485 . . 1036 196 98 ALA CA C 51.243 . . 1037 196 98 ALA CB C 23.128 . . 1038 196 98 ALA N N 121.126 . . 1039 197 99 ILE H H 7.956 . . 1040 197 99 ILE HA H 5.155 . . 1041 197 99 ILE HB H 1.711 . . 1042 197 99 ILE HG12 H 0.986 . . 1043 197 99 ILE HG13 H 1.521 . . 1044 197 99 ILE HG2 H 0.851 . . 1045 197 99 ILE HD1 H 0.777 . . 1046 197 99 ILE C C 176.117 . . 1047 197 99 ILE CA C 59.798 . . 1048 197 99 ILE CB C 40.281 . . 1049 197 99 ILE CG1 C 28.050 . . 1050 197 99 ILE CG2 C 17.855 . . 1051 197 99 ILE CD1 C 12.736 . . 1052 197 99 ILE N N 118.462 . . 1053 198 100 ILE H H 9.697 . . 1054 198 100 ILE HA H 4.774 . . 1055 198 100 ILE HB H 1.753 . . 1056 198 100 ILE HG12 H 1.337 . . 1057 198 100 ILE HG13 H 1.601 . . 1058 198 100 ILE HG2 H 0.959 . . 1059 198 100 ILE HD1 H 1.232 . . 1060 198 100 ILE C C 175.640 . . 1061 198 100 ILE CA C 60.278 . . 1062 198 100 ILE CB C 43.169 . . 1063 198 100 ILE CG1 C 29.282 . . 1064 198 100 ILE CG2 C 18.265 . . 1065 198 100 ILE CD1 C 16.205 . . 1066 198 100 ILE N N 130.407 . . 1067 199 101 THR H H 8.722 . . 1068 199 101 THR HA H 4.892 . . 1069 199 101 THR HB H 4.131 . . 1070 199 101 THR HG2 H 1.179 . . 1071 199 101 THR C C 172.387 . . 1072 199 101 THR CA C 62.856 . . 1073 199 101 THR CB C 70.093 . . 1074 199 101 THR CG2 C 21.617 . . 1075 199 101 THR N N 124.048 . . 1076 200 102 LEU H H 9.566 . . 1077 200 102 LEU HA H 5.080 . . 1078 200 102 LEU HB2 H 1.150 . . 1079 200 102 LEU HB3 H 2.228 . . 1080 200 102 LEU HG H 1.227 . . 1081 200 102 LEU HD1 H 0.621 . . 1082 200 102 LEU HD2 H 0.683 . . 1083 200 102 LEU C C 175.536 . . 1084 200 102 LEU CA C 53.842 . . 1085 200 102 LEU CB C 45.507 . . 1086 200 102 LEU CG C 28.157 . . 1087 200 102 LEU CD1 C 25.999 . . 1088 200 102 LEU CD2 C 24.208 . . 1089 200 102 LEU N N 129.964 . . 1090 201 103 ARG H H 8.885 . . 1091 201 103 ARG HA H 4.631 . . 1092 201 103 ARG HB2 H 1.299 . . 1093 201 103 ARG HB3 H 1.513 . . 1094 201 103 ARG HG2 H 1.503 . . 1095 201 103 ARG HG3 H 1.503 . . 1096 201 103 ARG HD2 H 2.932 . . 1097 201 103 ARG HD3 H 2.932 . . 1098 201 103 ARG C C 174.000 . . 1099 201 103 ARG CA C 54.855 . . 1100 201 103 ARG CB C 32.936 . . 1101 201 103 ARG CG C 27.591 . . 1102 201 103 ARG CD C 43.417 . . 1103 201 103 ARG N N 128.569 . . 1104 202 104 VAL H H 8.280 . . 1105 202 104 VAL HA H 5.087 . . 1106 202 104 VAL HB H 1.939 . . 1107 202 104 VAL HG1 H 0.790 . . 1108 202 104 VAL HG2 H 0.790 . . 1109 202 104 VAL C C 174.943 . . 1110 202 104 VAL CA C 60.443 . . 1111 202 104 VAL CB C 33.918 . . 1112 202 104 VAL CG1 C 21.454 . . 1113 202 104 VAL CG2 C 21.454 . . 1114 202 104 VAL N N 122.501 . . 1115 203 105 ARG H H 8.577 . . 1116 203 105 ARG HA H 4.610 . . 1117 203 105 ARG HB2 H 1.793 . . 1118 203 105 ARG HB3 H 1.569 . . 1119 203 105 ARG HG2 H 1.495 . . 1120 203 105 ARG HG3 H 1.495 . . 1121 203 105 ARG HD2 H 2.979 . . 1122 203 105 ARG HD3 H 3.023 . . 1123 203 105 ARG C C 175.461 . . 1124 203 105 ARG CA C 55.096 . . 1125 203 105 ARG CB C 32.206 . . 1126 203 105 ARG CG C 27.296 . . 1127 203 105 ARG CD C 43.284 . . 1128 203 105 ARG N N 128.672 . . 1129 204 106 SER H H 8.636 . . 1130 204 106 SER HA H 4.525 . . 1131 204 106 SER HB2 H 3.832 . . 1132 204 106 SER HB3 H 3.934 . . 1133 204 106 SER C C 174.513 . . 1134 204 106 SER CA C 58.443 . . 1135 204 106 SER CB C 64.359 . . 1136 204 106 SER N N 121.000 . . 1137 205 107 HIS H H 8.627 . . 1138 205 107 HIS HA H 4.434 . . 1139 205 107 HIS HB2 H 3.169 . . 1140 205 107 HIS HB3 H 3.103 . . 1141 205 107 HIS CA C 57.910 . . 1142 205 107 HIS CB C 30.210 . . 1143 205 107 HIS N N 127.209 . . stop_ save_