data_25942 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Full-length WT SOD1 in DPC MICELLE ; _BMRB_accession_number 25942 _BMRB_flat_file_name bmr25942.str _Entry_type original _Submission_date 2016-01-06 _Accession_date 2016-01-06 _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 Lim Liangzhong . . 2 Song Jianxing . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 603 "13C chemical shifts" 279 "15N chemical shifts" 158 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-12-08 original BMRB . stop_ _Original_release_date 2016-01-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; SALS-linked WT-SOD1 adopts a highly similar helical conformation as FALS-causing L126Z-SOD1 in a membrane environment ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27378311 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lim Liangzhong . . 2 Song Jianxing . . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_volume 1858 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2223 _Page_last 2230 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Full-length WT SOD1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 15827.688 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 161 _Mol_residue_sequence ; MGHHHHHHATKAVCVLKGDG PVQGIINFEQKESNGPVKVW GSIKGLTEGLHGFHVHEFGD NTAGCTSAGPHFNPLSRKHG GPKDEERHVGDLGNVTADKD GVADVSIEDSVISLSGDHCI IGRTLVVHEKADDLGKGGNE ESTKTGNAGSRLACGVIGIA Q ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -7 MET 2 -6 GLY 3 -5 HIS 4 -4 HIS 5 -3 HIS 6 -2 HIS 7 -1 HIS 8 0 HIS 9 1 ALA 10 2 THR 11 3 LYS 12 4 ALA 13 5 VAL 14 6 CYS 15 7 VAL 16 8 LEU 17 9 LYS 18 10 GLY 19 11 ASP 20 12 GLY 21 13 PRO 22 14 VAL 23 15 GLN 24 16 GLY 25 17 ILE 26 18 ILE 27 19 ASN 28 20 PHE 29 21 GLU 30 22 GLN 31 23 LYS 32 24 GLU 33 25 SER 34 26 ASN 35 27 GLY 36 28 PRO 37 29 VAL 38 30 LYS 39 31 VAL 40 32 TRP 41 33 GLY 42 34 SER 43 35 ILE 44 36 LYS 45 37 GLY 46 38 LEU 47 39 THR 48 40 GLU 49 41 GLY 50 42 LEU 51 43 HIS 52 44 GLY 53 45 PHE 54 46 HIS 55 47 VAL 56 48 HIS 57 49 GLU 58 50 PHE 59 51 GLY 60 52 ASP 61 53 ASN 62 54 THR 63 55 ALA 64 56 GLY 65 57 CYS 66 58 THR 67 59 SER 68 60 ALA 69 61 GLY 70 62 PRO 71 63 HIS 72 64 PHE 73 65 ASN 74 66 PRO 75 67 LEU 76 68 SER 77 69 ARG 78 70 LYS 79 71 HIS 80 72 GLY 81 73 GLY 82 74 PRO 83 75 LYS 84 76 ASP 85 77 GLU 86 78 GLU 87 79 ARG 88 80 HIS 89 81 VAL 90 82 GLY 91 83 ASP 92 84 LEU 93 85 GLY 94 86 ASN 95 87 VAL 96 88 THR 97 89 ALA 98 90 ASP 99 91 LYS 100 92 ASP 101 93 GLY 102 94 VAL 103 95 ALA 104 96 ASP 105 97 VAL 106 98 SER 107 99 ILE 108 100 GLU 109 101 ASP 110 102 SER 111 103 VAL 112 104 ILE 113 105 SER 114 106 LEU 115 107 SER 116 108 GLY 117 109 ASP 118 110 HIS 119 111 CYS 120 112 ILE 121 113 ILE 122 114 GLY 123 115 ARG 124 116 THR 125 117 LEU 126 118 VAL 127 119 VAL 128 120 HIS 129 121 GLU 130 122 LYS 131 123 ALA 132 124 ASP 133 125 ASP 134 126 LEU 135 127 GLY 136 128 LYS 137 129 GLY 138 130 GLY 139 131 ASN 140 132 GLU 141 133 GLU 142 134 SER 143 135 THR 144 136 LYS 145 137 THR 146 138 GLY 147 139 ASN 148 140 ALA 149 141 GLY 150 142 SER 151 143 ARG 152 144 LEU 153 145 ALA 154 146 CYS 155 147 GLY 156 148 VAL 157 149 ILE 158 150 GLY 159 151 ILE 160 152 ALA 161 153 GLN 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 _Strain _Variant $entity 'E. coli' 562 Bacteria . Escherichia coli BL21 DE3 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 $entity 'recombinant technology' . Escherichia coli . pET-28a 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 DPC 20 mM 'natural abundance' $entity 0.4 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_Gromacs _Saveframe_category software _Name Gromacs _Version 4.5.3 loop_ _Vendor _Address _Electronic_address 'David van der Spoel, and Erik Lindahl' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_Cyana _Saveframe_category software _Name Cyana _Version 2 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _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_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _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' 0 . M pH 4 . pH pressure 1 . atm temperature 313 . 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 HNCACB' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D CBCA(CO)NH' 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 entity _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 9 ALA H H 8.537 . . 2 1 9 ALA HA H 4.356 . . 3 1 9 ALA HB H 1.378 . . 4 1 9 ALA CA C 52.945 . . 5 1 9 ALA CB C 19.610 . . 6 1 9 ALA N N 125.986 . . 7 2 10 THR H H 8.104 . . 8 2 10 THR HA H 4.269 . . 9 2 10 THR HG2 H 1.217 . . 10 2 10 THR CA C 62.596 . . 11 2 10 THR CB C 70.023 . . 12 2 10 THR N N 113.878 . . 13 3 11 LYS H H 8.253 . . 14 3 11 LYS HA H 4.273 . . 15 3 11 LYS HB2 H 1.829 . . 16 3 11 LYS HB3 H 1.775 . . 17 3 11 LYS HG2 H 1.431 . . 18 3 11 LYS CA C 57.104 . . 19 3 11 LYS CB C 33.257 . . 20 3 11 LYS N N 123.121 . . 21 4 12 ALA H H 8.231 . . 22 4 12 ALA HA H 4.247 . . 23 4 12 ALA HB H 1.369 . . 24 4 12 ALA CA C 53.390 . . 25 4 12 ALA CB C 19.486 . . 26 4 12 ALA N N 124.237 . . 27 5 13 VAL H H 7.938 . . 28 5 13 VAL HA H 3.984 . . 29 5 13 VAL HB H 2.112 . . 30 5 13 VAL HG2 H 0.958 . . 31 5 13 VAL CA C 63.495 . . 32 5 13 VAL CB C 32.777 . . 33 5 13 VAL N N 117.324 . . 34 6 14 CYS H H 8.192 . . 35 6 14 CYS HA H 4.585 . . 36 6 14 CYS HB3 H 3.006 . . 37 6 14 CYS CA C 59.774 . . 38 6 14 CYS CB C 27.804 . . 39 6 14 CYS N N 121.485 . . 40 7 15 VAL H H 8.043 . . 41 7 15 VAL HA H 4.038 . . 42 7 15 VAL HB H 2.125 . . 43 7 15 VAL HG2 H 0.941 . . 44 7 15 VAL CA C 63.662 . . 45 7 15 VAL CB C 32.544 . . 46 7 15 VAL N N 121.087 . . 47 8 16 LEU H H 8.011 . . 48 8 16 LEU HA H 4.284 . . 49 8 16 LEU HB2 H 1.675 . . 50 8 16 LEU HG H 1.599 . . 51 8 16 LEU HD1 H 0.924 . . 52 8 16 LEU CA C 55.722 . . 53 8 16 LEU CB C 42.121 . . 54 8 16 LEU N N 122.536 . . 55 9 17 LYS H H 8.002 . . 56 9 17 LYS HA H 4.323 . . 57 9 17 LYS HB3 H 1.870 . . 58 9 17 LYS HG2 H 1.408 . . 59 9 17 LYS HD2 H 1.744 . . 60 9 17 LYS CA C 56.676 . . 61 9 17 LYS CB C 33.032 . . 62 9 17 LYS N N 120.294 . . 63 10 18 GLY H H 8.398 . . 64 10 18 GLY HA3 H 3.892 . . 65 10 18 GLY CA C 45.631 . . 66 10 18 GLY N N 109.728 . . 67 11 19 ASP H H 8.173 . . 68 11 19 ASP HA H 4.731 . . 69 11 19 ASP HB3 H 2.776 . . 70 11 19 ASP CA C 53.394 . . 71 11 19 ASP CB C 39.189 . . 72 11 19 ASP N N 118.485 . . 73 12 20 GLY H H 8.388 . . 74 12 20 GLY HA3 H 4.120 . . 75 12 20 GLY CA C 46.409 . . 76 12 20 GLY N N 109.050 . . 77 13 21 PRO HA H 4.417 . . 78 13 21 PRO CA C 64.874 . . 79 13 21 PRO CB C 32.400 . . 80 14 22 VAL H H 7.951 . . 81 14 22 VAL HA H 3.756 . . 82 14 22 VAL HB H 2.161 . . 83 14 22 VAL HG1 H 0.925 . . 84 14 22 VAL HG2 H 0.999 . . 85 14 22 VAL CA C 65.860 . . 86 14 22 VAL CB C 31.773 . . 87 14 22 VAL N N 116.944 . . 88 15 23 GLN H H 8.261 . . 89 15 23 GLN HA H 3.977 . . 90 15 23 GLN HB2 H 2.136 . . 91 15 23 GLN HB3 H 2.043 . . 92 15 23 GLN HG3 H 2.424 . . 93 15 23 GLN HE21 H 6.816 . . 94 15 23 GLN HE22 H 7.437 . . 95 15 23 GLN CA C 58.770 . . 96 15 23 GLN CB C 28.499 . . 97 15 23 GLN N N 120.020 . . 98 15 23 GLN NE2 N 112.276 . . 99 16 24 GLY H H 8.269 . . 100 16 24 GLY HA2 H 3.947 . . 101 16 24 GLY HA3 H 3.885 . . 102 16 24 GLY CA C 47.182 . . 103 16 24 GLY N N 106.677 . . 104 17 25 ILE H H 7.937 . . 105 17 25 ILE HA H 3.881 . . 106 17 25 ILE HB H 2.031 . . 107 17 25 ILE HG12 H 1.115 . . 108 17 25 ILE HG13 H 0.952 . . 109 17 25 ILE HG2 H 0.943 . . 110 17 25 ILE HD1 H 0.852 . . 111 17 25 ILE CA C 64.841 . . 112 17 25 ILE CB C 38.311 . . 113 17 25 ILE N N 121.945 . . 114 18 26 ILE H H 8.020 . . 115 18 26 ILE HA H 3.757 . . 116 18 26 ILE CA C 64.974 . . 117 18 26 ILE CB C 38.064 . . 118 18 26 ILE N N 120.783 . . 119 19 27 ASN H H 8.390 . . 120 19 27 ASN HA H 4.487 . . 121 19 27 ASN HB2 H 2.896 . . 122 19 27 ASN HB3 H 2.822 . . 123 19 27 ASN HD21 H 6.871 . . 124 19 27 ASN HD22 H 7.619 . . 125 19 27 ASN CA C 55.920 . . 126 19 27 ASN CB C 38.571 . . 127 19 27 ASN N N 118.486 . . 128 19 27 ASN ND2 N 111.366 . . 129 20 28 PHE H H 8.046 . . 130 20 28 PHE HA H 4.292 . . 131 20 28 PHE HB3 H 3.243 . . 132 20 28 PHE CA C 61.311 . . 133 20 28 PHE CB C 39.704 . . 134 20 28 PHE N N 120.505 . . 135 21 29 GLU H H 8.410 . . 136 21 29 GLU HA H 3.875 . . 137 21 29 GLU HB2 H 2.071 . . 138 21 29 GLU HG2 H 2.490 . . 139 21 29 GLU HG3 H 2.339 . . 140 21 29 GLU CA C 59.172 . . 141 21 29 GLU CB C 28.011 . . 142 21 29 GLU N N 118.577 . . 143 22 30 GLN H H 8.176 . . 144 22 30 GLN HA H 4.017 . . 145 22 30 GLN HB3 H 2.130 . . 146 22 30 GLN HG2 H 2.497 . . 147 22 30 GLN HG3 H 2.399 . . 148 22 30 GLN HE21 H 6.779 . . 149 22 30 GLN HE22 H 7.412 . . 150 22 30 GLN CA C 58.262 . . 151 22 30 GLN CB C 29.152 . . 152 22 30 GLN N N 117.667 . . 153 22 30 GLN NE2 N 111.787 . . 154 23 31 LYS H H 7.764 . . 155 23 31 LYS HA H 4.182 . . 156 23 31 LYS HB2 H 1.826 . . 157 23 31 LYS HB3 H 1.635 . . 158 23 31 LYS HG2 H 1.451 . . 159 23 31 LYS CA C 57.936 . . 160 23 31 LYS CB C 33.006 . . 161 23 31 LYS N N 119.015 . . 162 24 32 GLU H H 7.840 . . 163 24 32 GLU HA H 4.274 . . 164 24 32 GLU HB2 H 1.730 . . 165 24 32 GLU HG2 H 2.133 . . 166 24 32 GLU HG3 H 2.018 . . 167 24 32 GLU CA C 56.296 . . 168 24 32 GLU CB C 28.680 . . 169 24 32 GLU N N 118.042 . . 170 25 33 SER H H 7.939 . . 171 25 33 SER HA H 4.289 . . 172 25 33 SER HB3 H 3.867 . . 173 25 33 SER CA C 59.599 . . 174 25 33 SER CB C 64.003 . . 175 25 33 SER N N 114.748 . . 176 26 34 ASN H H 8.143 . . 177 26 34 ASN HA H 4.768 . . 178 26 34 ASN HB2 H 2.849 . . 179 26 34 ASN HB3 H 2.754 . . 180 26 34 ASN HD21 H 7.500 . . 181 26 34 ASN HD22 H 6.820 . . 182 26 34 ASN CA C 53.617 . . 183 26 34 ASN CB C 39.383 . . 184 26 34 ASN N N 119.394 . . 185 26 34 ASN ND2 N 112.074 . . 186 27 35 GLY H H 8.104 . . 187 27 35 GLY HA3 H 4.056 . . 188 27 35 GLY CA C 46.080 . . 189 27 35 GLY N N 108.224 . . 190 28 36 PRO CA C 64.690 . . 191 28 36 PRO CB C 32.442 . . 192 29 37 VAL H H 7.885 . . 193 29 37 VAL HA H 3.935 . . 194 29 37 VAL HB H 2.088 . . 195 29 37 VAL HG1 H 0.948 . . 196 29 37 VAL HG2 H 0.854 . . 197 29 37 VAL CA C 64.369 . . 198 29 37 VAL CB C 32.367 . . 199 29 37 VAL N N 120.143 . . 200 30 38 LYS H H 8.285 . . 201 30 38 LYS HA H 4.313 . . 202 30 38 LYS HB3 H 1.858 . . 203 30 38 LYS HG2 H 1.493 . . 204 30 38 LYS CA C 57.700 . . 205 30 38 LYS CB C 32.595 . . 206 30 38 LYS N N 123.773 . . 207 31 39 VAL H H 8.115 . . 208 31 39 VAL HA H 3.862 . . 209 31 39 VAL HB H 2.111 . . 210 31 39 VAL HG1 H 0.829 . . 211 31 39 VAL HG2 H 0.934 . . 212 31 39 VAL CA C 65.211 . . 213 31 39 VAL CB C 32.386 . . 214 31 39 VAL N N 119.334 . . 215 32 40 TRP H H 8.133 . . 216 32 40 TRP HA H 4.553 . . 217 32 40 TRP HB2 H 3.344 . . 218 32 40 TRP CA C 59.589 . . 219 32 40 TRP CB C 29.984 . . 220 32 40 TRP N N 121.043 . . 221 33 41 GLY H H 8.239 . . 222 33 41 GLY HA2 H 3.946 . . 223 33 41 GLY HA3 H 3.734 . . 224 33 41 GLY CA C 47.162 . . 225 33 41 GLY N N 105.149 . . 226 34 42 SER H H 7.846 . . 227 34 42 SER HA H 4.419 . . 228 34 42 SER HB2 H 3.871 . . 229 34 42 SER HB3 H 3.999 . . 230 34 42 SER CA C 61.268 . . 231 34 42 SER CB C 63.858 . . 232 34 42 SER N N 116.819 . . 233 35 43 ILE H H 7.964 . . 234 35 43 ILE HA H 3.866 . . 235 35 43 ILE HB H 1.958 . . 236 35 43 ILE HG12 H 1.586 . . 237 35 43 ILE HG13 H 1.258 . . 238 35 43 ILE HG2 H 0.926 . . 239 35 43 ILE HD1 H 0.828 . . 240 35 43 ILE CA C 64.313 . . 241 35 43 ILE CB C 38.571 . . 242 35 43 ILE N N 120.825 . . 243 36 44 LYS HB3 H 1.846 . . 244 36 44 LYS HD2 H 1.566 . . 245 36 44 LYS CA C 57.121 . . 246 36 44 LYS CB C 33.285 . . 247 37 45 GLY H H 8.085 . . 248 37 45 GLY HA3 H 3.872 . . 249 37 45 GLY CA C 46.772 . . 250 37 45 GLY N N 106.687 . . 251 38 46 LEU H H 7.844 . . 252 38 46 LEU HA H 4.183 . . 253 38 46 LEU HB2 H 1.857 . . 254 38 46 LEU HG H 1.632 . . 255 38 46 LEU HD1 H 0.858 . . 256 38 46 LEU CA C 57.571 . . 257 38 46 LEU CB C 42.741 . . 258 38 46 LEU N N 121.071 . . 259 39 47 THR H H 7.892 . . 260 39 47 THR HA H 4.272 . . 261 39 47 THR HB H 4.006 . . 262 39 47 THR HG2 H 1.220 . . 263 39 47 THR CA C 64.657 . . 264 39 47 THR CB C 69.276 . . 265 39 47 THR N N 108.195 . . 266 40 48 GLU H H 7.795 . . 267 40 48 GLU HA H 4.174 . . 268 40 48 GLU HB2 H 2.122 . . 269 40 48 GLU HG3 H 2.520 . . 270 40 48 GLU CA C 57.983 . . 271 40 48 GLU CB C 28.276 . . 272 40 48 GLU N N 120.435 . . 273 41 49 GLY H H 8.121 . . 274 41 49 GLY HA2 H 4.013 . . 275 41 49 GLY HA3 H 3.837 . . 276 41 49 GLY CA C 46.026 . . 277 41 49 GLY N N 107.307 . . 278 42 50 LEU H H 7.717 . . 279 42 50 LEU HA H 4.261 . . 280 42 50 LEU HB2 H 1.725 . . 281 42 50 LEU HG H 1.571 . . 282 42 50 LEU HD1 H 0.844 . . 283 42 50 LEU CA C 56.017 . . 284 42 50 LEU CB C 42.253 . . 285 42 50 LEU N N 119.854 . . 286 43 51 HIS H H 8.140 . . 287 43 51 HIS HA H 4.591 . . 288 43 51 HIS HB2 H 3.352 . . 289 43 51 HIS HB3 H 3.213 . . 290 43 51 HIS CA C 56.677 . . 291 43 51 HIS CB C 28.811 . . 292 43 51 HIS N N 117.040 . . 293 44 52 GLY H H 8.386 . . 294 44 52 GLY HA2 H 3.805 . . 295 44 52 GLY HA3 H 3.865 . . 296 44 52 GLY CA C 45.827 . . 297 44 52 GLY N N 108.158 . . 298 45 53 PHE H H 7.803 . . 299 45 53 PHE HA H 4.493 . . 300 45 53 PHE HB2 H 3.038 . . 301 45 53 PHE HB3 H 3.219 . . 302 45 53 PHE CA C 58.467 . . 303 45 53 PHE CB C 40.129 . . 304 45 53 PHE N N 119.712 . . 305 46 54 HIS H H 8.211 . . 306 46 54 HIS HA H 4.749 . . 307 46 54 HIS HB2 H 3.260 . . 308 46 54 HIS HB3 H 3.159 . . 309 46 54 HIS CA C 55.355 . . 310 46 54 HIS CB C 29.476 . . 311 46 54 HIS N N 119.351 . . 312 47 55 VAL H H 8.213 . . 313 47 55 VAL HA H 4.068 . . 314 47 55 VAL HB H 2.077 . . 315 47 55 VAL HG2 H 0.929 . . 316 47 55 VAL CA C 63.205 . . 317 47 55 VAL CB C 32.835 . . 318 47 55 VAL N N 120.906 . . 319 48 56 HIS H H 8.452 . . 320 48 56 HIS HA H 4.643 . . 321 48 56 HIS HB2 H 3.180 . . 322 48 56 HIS HB3 H 3.094 . . 323 48 56 HIS CA C 55.333 . . 324 48 56 HIS CB C 29.179 . . 325 48 56 HIS N N 118.080 . . 326 49 57 GLU H H 8.189 . . 327 49 57 GLU HA H 4.190 . . 328 49 57 GLU HB2 H 1.871 . . 329 49 57 GLU HB3 H 1.825 . . 330 49 57 GLU HG2 H 2.031 . . 331 49 57 GLU HG3 H 2.174 . . 332 49 57 GLU N N 119.350 . . 333 50 58 PHE H H 8.066 . . 334 50 58 PHE HA H 4.626 . . 335 50 58 PHE HB2 H 3.201 . . 336 50 58 PHE HB3 H 2.985 . . 337 50 58 PHE CA C 57.964 . . 338 50 58 PHE CB C 39.827 . . 339 50 58 PHE N N 119.187 . . 340 51 59 GLY H H 8.251 . . 341 51 59 GLY HA2 H 3.936 . . 342 51 59 GLY HA3 H 3.982 . . 343 51 59 GLY CA C 45.572 . . 344 51 59 GLY N N 109.009 . . 345 52 60 ASP H H 8.063 . . 346 52 60 ASP HA H 4.638 . . 347 52 60 ASP HB3 H 2.804 . . 348 52 60 ASP CA C 53.645 . . 349 52 60 ASP CB C 38.972 . . 350 52 60 ASP N N 118.573 . . 351 53 61 ASN H H 8.606 . . 352 53 61 ASN HA H 4.736 . . 353 53 61 ASN HB2 H 2.743 . . 354 53 61 ASN HB3 H 2.827 . . 355 53 61 ASN HD21 H 7.548 . . 356 53 61 ASN HD22 H 6.818 . . 357 53 61 ASN CA C 53.733 . . 358 53 61 ASN CB C 39.053 . . 359 53 61 ASN N N 114.829 . . 360 53 61 ASN ND2 N 112.315 . . 361 54 62 THR H H 8.059 . . 362 54 62 THR HA H 4.274 . . 363 54 62 THR HG2 H 1.159 . . 364 54 62 THR CA C 62.420 . . 365 54 62 THR CB C 69.880 . . 366 54 62 THR N N 113.974 . . 367 55 63 ALA H H 8.180 . . 368 55 63 ALA HA H 4.297 . . 369 55 63 ALA HB H 1.374 . . 370 55 63 ALA CA C 52.822 . . 371 55 63 ALA CB C 19.677 . . 372 55 63 ALA N N 125.803 . . 373 56 64 GLY H H 8.055 . . 374 56 64 GLY HA3 H 4.047 . . 375 56 64 GLY CA C 44.877 . . 376 56 64 GLY N N 107.810 . . 377 57 65 CYS H H 8.134 . . 378 57 65 CYS HA H 4.583 . . 379 57 65 CYS HB2 H 2.935 . . 380 57 65 CYS HB3 H 2.818 . . 381 57 65 CYS CA C 58.892 . . 382 57 65 CYS CB C 28.240 . . 383 57 65 CYS N N 118.620 . . 384 58 66 THR H H 8.210 . . 385 58 66 THR HA H 4.395 . . 386 58 66 THR HB H 4.260 . . 387 58 66 THR HG2 H 1.184 . . 388 58 66 THR CA C 62.254 . . 389 58 66 THR CB C 70.017 . . 390 58 66 THR N N 116.115 . . 391 59 67 SER H H 8.184 . . 392 59 67 SER HA H 4.446 . . 393 59 67 SER HB3 H 3.857 . . 394 59 67 SER CA C 58.673 . . 395 59 67 SER CB C 64.173 . . 396 59 67 SER N N 117.847 . . 397 60 68 ALA H H 8.230 . . 398 60 68 ALA HA H 4.361 . . 399 60 68 ALA HB H 1.380 . . 400 60 68 ALA CA C 52.806 . . 401 60 68 ALA CB C 19.730 . . 402 60 68 ALA N N 125.768 . . 403 61 69 GLY H H 7.968 . . 404 61 69 GLY HA3 H 3.712 . . 405 61 69 GLY CA C 45.697 . . 406 61 69 GLY N N 107.118 . . 407 62 70 PRO CA C 62.674 . . 408 62 70 PRO CB C 34.800 . . 409 63 71 HIS H H 8.667 . . 410 63 71 HIS HA H 4.760 . . 411 63 71 HIS HB2 H 3.194 . . 412 63 71 HIS HB3 H 3.106 . . 413 63 71 HIS CA C 55.139 . . 414 63 71 HIS CB C 29.307 . . 415 63 71 HIS N N 118.920 . . 416 64 72 PHE H H 8.353 . . 417 64 72 PHE HA H 4.597 . . 418 64 72 PHE HB3 H 3.006 . . 419 64 72 PHE CA C 57.720 . . 420 64 72 PHE CB C 40.252 . . 421 64 72 PHE N N 121.737 . . 422 65 73 ASN H H 8.328 . . 423 65 73 ASN HA H 4.884 . . 424 65 73 ASN HB2 H 2.653 . . 425 65 73 ASN HB3 H 2.850 . . 426 65 73 ASN HD21 H 7.552 . . 427 65 73 ASN HD22 H 6.758 . . 428 65 73 ASN CA C 50.784 . . 429 65 73 ASN CB C 39.422 . . 430 65 73 ASN N N 122.216 . . 431 65 73 ASN ND2 N 111.701 . . 432 66 74 PRO CA C 63.910 . . 433 66 74 PRO CB C 32.314 . . 434 67 75 LEU H H 8.004 . . 435 67 75 LEU HA H 4.275 . . 436 67 75 LEU HB2 H 1.680 . . 437 67 75 LEU HG H 1.602 . . 438 67 75 LEU HD1 H 0.846 . . 439 67 75 LEU HD2 H 0.905 . . 440 67 75 LEU CA C 55.668 . . 441 67 75 LEU CB C 41.989 . . 442 67 75 LEU N N 119.243 . . 443 68 76 SER H H 7.804 . . 444 68 76 SER HA H 4.332 . . 445 68 76 SER HB3 H 3.838 . . 446 68 76 SER CA C 58.869 . . 447 68 76 SER CB C 64.050 . . 448 68 76 SER N N 115.127 . . 449 69 77 ARG H H 8.059 . . 450 69 77 ARG HA H 4.327 . . 451 69 77 ARG HB2 H 1.850 . . 452 69 77 ARG HB3 H 1.716 . . 453 69 77 ARG HG3 H 1.611 . . 454 69 77 ARG HD2 H 3.165 . . 455 69 77 ARG HD3 H 3.163 . . 456 69 77 ARG HE H 7.198 . . 457 69 77 ARG HH11 H 6.660 . . 458 69 77 ARG HH21 H 6.705 . . 459 69 77 ARG CA C 56.239 . . 460 69 77 ARG CB C 30.955 . . 461 69 77 ARG N N 122.396 . . 462 69 77 ARG NE N 126.857 . . 463 70 78 LYS H H 8.111 . . 464 70 78 LYS HA H 4.247 . . 465 70 78 LYS HB2 H 1.656 . . 466 70 78 LYS HB3 H 1.732 . . 467 70 78 LYS HG2 H 1.377 . . 468 70 78 LYS CA C 56.534 . . 469 70 78 LYS CB C 33.221 . . 470 70 78 LYS N N 121.729 . . 471 71 79 HIS H H 8.426 . . 472 71 79 HIS HA H 4.724 . . 473 71 79 HIS HB2 H 3.272 . . 474 71 79 HIS HB3 H 3.167 . . 475 71 79 HIS CA C 55.335 . . 476 71 79 HIS CB C 29.465 . . 477 71 79 HIS N N 119.491 . . 478 72 80 GLY H H 8.399 . . 479 72 80 GLY HA3 H 4.013 . . 480 72 80 GLY CA C 45.276 . . 481 72 80 GLY N N 110.487 . . 482 73 81 GLY H H 8.185 . . 483 73 81 GLY HA2 H 4.041 . . 484 73 81 GLY HA3 H 4.165 . . 485 73 81 GLY CA C 44.888 . . 486 73 81 GLY N N 108.908 . . 487 74 82 PRO CA C 63.610 . . 488 74 82 PRO CB C 32.388 . . 489 75 83 LYS H H 8.357 . . 490 75 83 LYS HA H 4.252 . . 491 75 83 LYS HB3 H 1.823 . . 492 75 83 LYS HG2 H 1.421 . . 493 75 83 LYS HD2 H 1.747 . . 494 75 83 LYS CA C 56.917 . . 495 75 83 LYS CB C 32.806 . . 496 75 83 LYS N N 120.476 . . 497 76 84 ASP H H 8.175 . . 498 76 84 ASP HA H 4.572 . . 499 76 84 ASP HB2 H 2.696 . . 500 76 84 ASP HB3 H 2.781 . . 501 76 84 ASP CA C 53.947 . . 502 76 84 ASP CB C 39.625 . . 503 76 84 ASP N N 120.089 . . 504 77 85 GLU H H 8.295 . . 505 77 85 GLU HA H 4.326 . . 506 77 85 GLU HB2 H 2.085 . . 507 77 85 GLU HB3 H 1.906 . . 508 77 85 GLU HG3 H 2.363 . . 509 77 85 GLU CA C 56.226 . . 510 77 85 GLU CB C 28.973 . . 511 77 85 GLU N N 120.948 . . 512 78 86 GLU H H 8.279 . . 513 78 86 GLU HA H 4.337 . . 514 78 86 GLU HB2 H 1.997 . . 515 78 86 GLU HB3 H 2.102 . . 516 78 86 GLU HG3 H 2.423 . . 517 78 86 GLU CA C 56.486 . . 518 78 86 GLU CB C 28.953 . . 519 78 86 GLU N N 120.434 . . 520 79 87 ARG H H 8.138 . . 521 79 87 ARG HA H 4.258 . . 522 79 87 ARG HB2 H 1.723 . . 523 79 87 ARG HG3 H 1.568 . . 524 79 87 ARG HD2 H 3.152 . . 525 79 87 ARG HD3 H 3.149 . . 526 79 87 ARG HE H 7.233 . . 527 79 87 ARG HH11 H 6.676 . . 528 79 87 ARG HH21 H 6.741 . . 529 79 87 ARG CA C 56.322 . . 530 79 87 ARG CB C 31.076 . . 531 79 87 ARG N N 121.214 . . 532 79 87 ARG NE N 126.811 . . 533 80 88 HIS H H 8.478 . . 534 80 88 HIS HA H 4.740 . . 535 80 88 HIS HB2 H 3.264 . . 536 80 88 HIS HB3 H 3.157 . . 537 80 88 HIS CA C 55.578 . . 538 80 88 HIS CB C 29.341 . . 539 80 88 HIS N N 119.522 . . 540 81 89 VAL H H 8.209 . . 541 81 89 VAL HA H 4.054 . . 542 81 89 VAL HB H 2.073 . . 543 81 89 VAL HG2 H 0.925 . . 544 81 89 VAL CA C 63.132 . . 545 81 89 VAL CB C 32.762 . . 546 81 89 VAL N N 119.368 . . 547 82 90 GLY H H 8.389 . . 548 82 90 GLY HA3 H 3.926 . . 549 82 90 GLY CA C 45.726 . . 550 82 90 GLY N N 111.108 . . 551 83 91 ASP H H 8.269 . . 552 83 91 ASP HA H 4.715 . . 553 83 91 ASP HB3 H 2.803 . . 554 83 91 ASP CA C 53.480 . . 555 83 91 ASP CB C 39.407 . . 556 83 91 ASP N N 118.799 . . 557 84 92 LEU H H 8.242 . . 558 84 92 LEU HA H 4.275 . . 559 84 92 LEU HB2 H 1.688 . . 560 84 92 LEU HG H 1.610 . . 561 84 92 LEU HD1 H 0.842 . . 562 84 92 LEU HD2 H 0.903 . . 563 84 92 LEU CA C 56.163 . . 564 84 92 LEU CB C 42.404 . . 565 84 92 LEU N N 121.654 . . 566 85 93 GLY H H 8.227 . . 567 85 93 GLY HA3 H 3.949 . . 568 85 93 GLY CA C 45.956 . . 569 85 93 GLY N N 107.639 . . 570 86 94 ASN H H 8.209 . . 571 86 94 ASN HA H 4.635 . . 572 86 94 ASN HB2 H 2.828 . . 573 86 94 ASN HB3 H 2.727 . . 574 86 94 ASN HD21 H 6.850 . . 575 86 94 ASN HD22 H 7.503 . . 576 86 94 ASN CA C 53.478 . . 577 86 94 ASN CB C 39.228 . . 578 86 94 ASN N N 119.004 . . 579 86 94 ASN ND2 N 112.415 . . 580 87 95 VAL H H 7.983 . . 581 87 95 VAL HA H 4.111 . . 582 87 95 VAL HB H 2.158 . . 583 87 95 VAL HG2 H 0.940 . . 584 87 95 VAL CA C 63.635 . . 585 87 95 VAL CB C 32.591 . . 586 87 95 VAL N N 119.635 . . 587 88 96 THR H H 8.003 . . 588 88 96 THR HA H 4.238 . . 589 88 96 THR HG2 H 1.180 . . 590 88 96 THR CA C 63.217 . . 591 88 96 THR CB C 69.607 . . 592 88 96 THR N N 115.459 . . 593 89 97 ALA H H 8.043 . . 594 89 97 ALA HA H 4.273 . . 595 89 97 ALA HB H 1.381 . . 596 89 97 ALA CA C 53.253 . . 597 89 97 ALA CB C 19.299 . . 598 89 97 ALA N N 125.081 . . 599 90 98 ASP H H 8.179 . . 600 90 98 ASP HA H 4.619 . . 601 90 98 ASP HB3 H 2.809 . . 602 90 98 ASP CA C 53.570 . . 603 90 98 ASP CB C 38.694 . . 604 90 98 ASP N N 117.518 . . 605 91 99 LYS H H 8.157 . . 606 91 99 LYS HA H 4.228 . . 607 91 99 LYS HB3 H 1.820 . . 608 91 99 LYS HG2 H 1.414 . . 609 91 99 LYS HE2 H 2.940 . . 610 91 99 LYS CA C 57.634 . . 611 91 99 LYS CB C 32.822 . . 612 91 99 LYS N N 120.972 . . 613 92 100 ASP H H 8.279 . . 614 92 100 ASP HA H 4.702 . . 615 92 100 ASP HB2 H 2.882 . . 616 92 100 ASP HB3 H 2.817 . . 617 92 100 ASP CA C 53.654 . . 618 92 100 ASP CB C 39.016 . . 619 92 100 ASP N N 118.478 . . 620 93 101 GLY H H 8.139 . . 621 93 101 GLY HA3 H 3.951 . . 622 93 101 GLY CA C 46.167 . . 623 93 101 GLY N N 108.203 . . 624 94 102 VAL H H 7.859 . . 625 94 102 VAL HA H 4.057 . . 626 94 102 VAL HB H 2.110 . . 627 94 102 VAL HG2 H 0.929 . . 628 94 102 VAL CA C 63.057 . . 629 94 102 VAL CB C 32.715 . . 630 94 102 VAL N N 118.536 . . 631 95 103 ALA H H 8.196 . . 632 95 103 ALA HA H 4.309 . . 633 95 103 ALA HB H 1.385 . . 634 95 103 ALA CA C 53.109 . . 635 95 103 ALA CB C 19.476 . . 636 95 103 ALA N N 125.166 . . 637 96 104 ASP H H 8.245 . . 638 96 104 ASP HA H 4.593 . . 639 96 104 ASP HB3 H 2.817 . . 640 96 104 ASP CA C 54.431 . . 641 96 104 ASP CB C 38.460 . . 642 96 104 ASP N N 117.621 . . 643 97 105 VAL H H 7.930 . . 644 97 105 VAL HA H 4.052 . . 645 97 105 VAL HB H 2.094 . . 646 97 105 VAL HG2 H 0.928 . . 647 97 105 VAL CA C 63.665 . . 648 97 105 VAL CB C 32.769 . . 649 97 105 VAL N N 119.278 . . 650 98 106 SER H H 8.150 . . 651 98 106 SER HA H 4.555 . . 652 98 106 SER HB2 H 4.002 . . 653 98 106 SER HB3 H 3.889 . . 654 98 106 SER CA C 59.409 . . 655 98 106 SER CB C 63.880 . . 656 98 106 SER N N 118.013 . . 657 99 107 ILE H H 8.491 . . 658 99 107 ILE HA H 3.911 . . 659 99 107 ILE HB H 1.957 . . 660 99 107 ILE HG13 H 1.207 . . 661 99 107 ILE HD1 H 0.893 . . 662 99 107 ILE CA C 64.324 . . 663 99 107 ILE CB C 38.186 . . 664 99 107 ILE N N 124.033 . . 665 100 108 GLU H H 8.461 . . 666 100 108 GLU HA H 4.193 . . 667 100 108 GLU HB2 H 2.045 . . 668 100 108 GLU HG3 H 2.397 . . 669 100 108 GLU CA C 59.558 . . 670 100 108 GLU CB C 28.408 . . 671 100 108 GLU N N 120.010 . . 672 101 109 ASP H H 8.299 . . 673 101 109 ASP HA H 4.475 . . 674 101 109 ASP HB3 H 2.900 . . 675 101 109 ASP CA C 55.806 . . 676 101 109 ASP CB C 37.959 . . 677 101 109 ASP N N 116.738 . . 678 102 110 SER H H 7.996 . . 679 102 110 SER HA H 4.326 . . 680 102 110 SER HB2 H 3.829 . . 681 102 110 SER HB3 H 4.031 . . 682 102 110 SER CA C 62.145 . . 683 102 110 SER CB C 63.514 . . 684 102 110 SER N N 116.719 . . 685 103 111 VAL H H 8.004 . . 686 103 111 VAL HA H 3.919 . . 687 103 111 VAL HB H 2.194 . . 688 103 111 VAL HG1 H 1.003 . . 689 103 111 VAL HG2 H 0.900 . . 690 103 111 VAL CA C 65.982 . . 691 103 111 VAL CB C 32.248 . . 692 103 111 VAL N N 120.299 . . 693 104 112 ILE H H 7.986 . . 694 104 112 ILE HA H 4.250 . . 695 104 112 ILE HB H 1.908 . . 696 104 112 ILE HG12 H 1.799 . . 697 104 112 ILE HG13 H 1.441 . . 698 104 112 ILE HG2 H 1.239 . . 699 104 112 ILE HD1 H 0.862 . . 700 104 112 ILE CA C 63.961 . . 701 104 112 ILE CB C 38.444 . . 702 104 112 ILE N N 119.637 . . 703 105 113 SER H H 7.991 . . 704 105 113 SER HA H 4.338 . . 705 105 113 SER HB3 H 3.967 . . 706 105 113 SER CA C 60.792 . . 707 105 113 SER CB C 63.648 . . 708 105 113 SER N N 116.578 . . 709 106 114 LEU H H 8.064 . . 710 106 114 LEU HA H 4.333 . . 711 106 114 LEU HB2 H 1.843 . . 712 106 114 LEU HG H 1.635 . . 713 106 114 LEU HD1 H 0.886 . . 714 106 114 LEU CA C 56.456 . . 715 106 114 LEU CB C 42.491 . . 716 106 114 LEU N N 121.973 . . 717 107 115 SER H H 7.993 . . 718 107 115 SER HA H 4.260 . . 719 107 115 SER HB2 H 3.953 . . 720 107 115 SER HB3 H 3.877 . . 721 107 115 SER CA C 60.550 . . 722 107 115 SER CB C 64.082 . . 723 107 115 SER N N 113.080 . . 724 108 116 GLY H H 8.076 . . 725 108 116 GLY HA2 H 4.021 . . 726 108 116 GLY HA3 H 3.715 . . 727 108 116 GLY CA C 46.201 . . 728 108 116 GLY N N 108.665 . . 729 109 117 ASP H H 8.149 . . 730 109 117 ASP HA H 4.727 . . 731 109 117 ASP HB2 H 2.734 . . 732 109 117 ASP HB3 H 2.828 . . 733 109 117 ASP CA C 53.610 . . 734 109 117 ASP CB C 38.530 . . 735 109 117 ASP N N 118.539 . . 736 110 118 HIS H H 8.313 . . 737 110 118 HIS HA H 4.645 . . 738 110 118 HIS HB2 H 3.206 . . 739 110 118 HIS HB3 H 3.328 . . 740 110 118 HIS CA C 56.234 . . 741 110 118 HIS CB C 28.791 . . 742 110 118 HIS N N 117.426 . . 743 111 119 CYS H H 8.323 . . 744 111 119 CYS HA H 4.494 . . 745 111 119 CYS HB3 H 2.969 . . 746 111 119 CYS CA C 59.895 . . 747 111 119 CYS CB C 27.733 . . 748 111 119 CYS N N 118.531 . . 749 112 120 ILE H H 8.262 . . 750 112 120 ILE HA H 4.260 . . 751 112 120 ILE HB H 1.962 . . 752 112 120 ILE HG13 H 1.498 . . 753 112 120 ILE HG2 H 1.236 . . 754 112 120 ILE HD1 H 0.905 . . 755 112 120 ILE CA C 63.080 . . 756 112 120 ILE CB C 39.145 . . 757 112 120 ILE N N 121.659 . . 758 113 121 ILE H H 8.035 . . 759 113 121 ILE HA H 4.272 . . 760 113 121 ILE HB H 1.685 . . 761 113 121 ILE HG13 H 1.594 . . 762 113 121 ILE HD1 H 0.889 . . 763 113 121 ILE CA C 63.124 . . 764 113 121 ILE CB C 38.950 . . 765 113 121 ILE N N 121.470 . . 766 114 122 GLY H H 8.272 . . 767 114 122 GLY HA2 H 3.962 . . 768 114 122 GLY HA3 H 3.834 . . 769 114 122 GLY CA C 46.707 . . 770 114 122 GLY N N 109.354 . . 771 115 123 ARG H H 8.067 . . 772 115 123 ARG HA H 4.219 . . 773 115 123 ARG HB2 H 1.887 . . 774 115 123 ARG HG3 H 1.681 . . 775 115 123 ARG HD2 H 3.181 . . 776 115 123 ARG HE H 7.359 . . 777 115 123 ARG HH12 H 6.756 . . 778 115 123 ARG HH21 H 6.756 . . 779 115 123 ARG CA C 58.168 . . 780 115 123 ARG CB C 30.771 . . 781 115 123 ARG N N 119.411 . . 782 115 123 ARG NE N 126.648 . . 783 116 124 THR H H 7.967 . . 784 116 124 THR HA H 4.305 . . 785 116 124 THR HB H 4.225 . . 786 116 124 THR HG2 H 1.186 . . 787 116 124 THR CA C 63.696 . . 788 116 124 THR CB C 69.290 . . 789 116 124 THR N N 113.652 . . 790 117 125 LEU H H 8.012 . . 791 117 125 LEU HA H 4.295 . . 792 117 125 LEU HB2 H 1.717 . . 793 117 125 LEU HG H 1.605 . . 794 117 125 LEU HD1 H 0.876 . . 795 117 125 LEU CA C 57.340 . . 796 117 125 LEU CB C 42.470 . . 797 117 125 LEU N N 122.537 . . 798 118 126 VAL H H 7.798 . . 799 118 126 VAL HA H 3.947 . . 800 118 126 VAL HB H 2.121 . . 801 118 126 VAL HG1 H 0.877 . . 802 118 126 VAL HG2 H 0.958 . . 803 118 126 VAL CA C 64.736 . . 804 118 126 VAL CB C 32.395 . . 805 118 126 VAL N N 118.309 . . 806 119 127 VAL H H 7.964 . . 807 119 127 VAL HA H 3.966 . . 808 119 127 VAL HB H 2.129 . . 809 119 127 VAL HG2 H 0.955 . . 810 119 127 VAL CA C 64.380 . . 811 119 127 VAL CB C 32.410 . . 812 119 127 VAL N N 118.602 . . 813 120 128 HIS H H 8.458 . . 814 120 128 HIS HA H 4.599 . . 815 120 128 HIS HB2 H 3.141 . . 816 120 128 HIS HB3 H 3.222 . . 817 120 128 HIS CA C 56.118 . . 818 120 128 HIS CB C 29.049 . . 819 120 128 HIS N N 120.013 . . 820 121 129 GLU H H 8.198 . . 821 121 129 GLU HA H 4.315 . . 822 121 129 GLU HB2 H 2.100 . . 823 121 129 GLU HB3 H 1.929 . . 824 121 129 GLU HG3 H 2.368 . . 825 121 129 GLU CA C 56.331 . . 826 121 129 GLU CB C 29.176 . . 827 121 129 GLU N N 120.530 . . 828 122 130 LYS HB3 H 1.814 . . 829 122 130 LYS CA C 56.472 . . 830 122 130 LYS CB C 32.762 . . 831 123 131 ALA H H 8.098 . . 832 123 131 ALA HA H 4.237 . . 833 123 131 ALA HB H 1.382 . . 834 123 131 ALA CA C 53.525 . . 835 123 131 ALA CB C 19.169 . . 836 123 131 ALA N N 123.382 . . 837 124 132 ASP H H 8.138 . . 838 124 132 ASP HA H 4.577 . . 839 124 132 ASP HB2 H 2.755 . . 840 124 132 ASP HB3 H 2.693 . . 841 124 132 ASP CA C 53.752 . . 842 124 132 ASP CB C 38.736 . . 843 124 132 ASP N N 116.914 . . 844 125 133 ASP HA H 4.637 . . 845 125 133 ASP HB2 H 2.835 . . 846 125 133 ASP HB3 H 2.784 . . 847 125 133 ASP CA C 53.751 . . 848 125 133 ASP CB C 38.864 . . 849 126 134 LEU H H 7.995 . . 850 126 134 LEU HA H 4.276 . . 851 126 134 LEU HB2 H 1.700 . . 852 126 134 LEU HG H 1.596 . . 853 126 134 LEU HD1 H 0.877 . . 854 126 134 LEU CA C 56.027 . . 855 126 134 LEU CB C 42.463 . . 856 126 134 LEU N N 121.184 . . 857 127 135 GLY H H 8.276 . . 858 127 135 GLY HA3 H 3.921 . . 859 127 135 GLY CA C 45.723 . . 860 127 135 GLY N N 108.377 . . 861 128 136 LYS H H 8.031 . . 862 128 136 LYS HA H 4.332 . . 863 128 136 LYS HB2 H 1.855 . . 864 128 136 LYS HB3 H 1.742 . . 865 128 136 LYS HG2 H 1.411 . . 866 128 136 LYS CA C 56.648 . . 867 128 136 LYS CB C 33.143 . . 868 128 136 LYS N N 120.480 . . 869 129 137 GLY H H 8.369 . . 870 129 137 GLY HA3 H 3.955 . . 871 129 137 GLY CA C 45.608 . . 872 129 137 GLY N N 109.496 . . 873 130 138 GLY H H 8.172 . . 874 130 138 GLY HA3 H 3.953 . . 875 130 138 GLY CA C 45.618 . . 876 130 138 GLY N N 108.473 . . 877 131 139 ASN H H 8.272 . . 878 131 139 ASN HA H 4.625 . . 879 131 139 ASN HB2 H 2.880 . . 880 131 139 ASN HB3 H 2.785 . . 881 131 139 ASN HD21 H 6.820 . . 882 131 139 ASN HD22 H 7.503 . . 883 131 139 ASN CA C 53.599 . . 884 131 139 ASN CB C 39.156 . . 885 131 139 ASN N N 118.665 . . 886 131 139 ASN ND2 N 111.801 . . 887 132 140 GLU H H 8.350 . . 888 132 140 GLU HA H 4.290 . . 889 132 140 GLU HB2 H 1.976 . . 890 132 140 GLU HB3 H 2.114 . . 891 132 140 GLU HG3 H 2.411 . . 892 132 140 GLU CA C 56.638 . . 893 132 140 GLU CB C 28.884 . . 894 132 140 GLU N N 120.426 . . 895 133 141 GLU H H 8.109 . . 896 133 141 GLU HA H 4.271 . . 897 133 141 GLU HB2 H 1.754 . . 898 133 141 GLU HB3 H 1.861 . . 899 133 141 GLU HG3 H 2.012 . . 900 133 141 GLU CA C 57.458 . . 901 133 141 GLU CB C 28.962 . . 902 133 141 GLU N N 120.132 . . 903 134 142 SER H H 8.211 . . 904 134 142 SER HA H 4.468 . . 905 134 142 SER HB3 H 3.880 . . 906 134 142 SER CA C 58.970 . . 907 134 142 SER CB C 64.010 . . 908 134 142 SER N N 116.326 . . 909 135 143 THR H H 7.993 . . 910 135 143 THR HA H 4.235 . . 911 135 143 THR HB H 4.115 . . 912 135 143 THR HG2 H 1.180 . . 913 135 143 THR CA C 62.597 . . 914 135 143 THR CB C 69.912 . . 915 135 143 THR N N 115.092 . . 916 136 144 LYS H H 8.224 . . 917 136 144 LYS HA H 4.371 . . 918 136 144 LYS HB2 H 1.769 . . 919 136 144 LYS HB3 H 1.859 . . 920 136 144 LYS HG2 H 1.425 . . 921 136 144 LYS HD2 H 1.659 . . 922 136 144 LYS CA C 56.923 . . 923 136 144 LYS CB C 33.110 . . 924 136 144 LYS N N 123.018 . . 925 137 145 THR H H 7.912 . . 926 137 145 THR HA H 4.343 . . 927 137 145 THR HB H 4.251 . . 928 137 145 THR HG2 H 1.186 . . 929 137 145 THR CA C 62.212 . . 930 137 145 THR CB C 70.003 . . 931 137 145 THR N N 113.024 . . 932 138 146 GLY H H 8.263 . . 933 138 146 GLY HA3 H 3.959 . . 934 138 146 GLY CA C 45.787 . . 935 138 146 GLY N N 110.595 . . 936 139 147 ASN H H 8.266 . . 937 139 147 ASN HA H 4.708 . . 938 139 147 ASN HB3 H 2.801 . . 939 139 147 ASN HD21 H 6.852 . . 940 139 147 ASN HD22 H 7.560 . . 941 139 147 ASN CA C 53.628 . . 942 139 147 ASN CB C 39.366 . . 943 139 147 ASN N N 118.792 . . 944 139 147 ASN ND2 N 112.654 . . 945 140 148 ALA H H 8.387 . . 946 140 148 ALA HA H 4.228 . . 947 140 148 ALA HB H 1.409 . . 948 140 148 ALA CA C 53.719 . . 949 140 148 ALA CB C 19.334 . . 950 140 148 ALA N N 124.208 . . 951 141 149 GLY H H 8.403 . . 952 141 149 GLY HA3 H 3.896 . . 953 141 149 GLY CA C 46.098 . . 954 141 149 GLY N N 106.851 . . 955 142 150 SER H H 8.052 . . 956 142 150 SER HA H 4.400 . . 957 142 150 SER HB2 H 3.849 . . 958 142 150 SER HB3 H 3.927 . . 959 142 150 SER CA C 59.110 . . 960 142 150 SER CB C 64.052 . . 961 142 150 SER N N 115.496 . . 962 143 151 ARG H H 8.441 . . 963 143 151 ARG HA H 4.236 . . 964 143 151 ARG HB2 H 1.844 . . 965 143 151 ARG HG2 H 1.664 . . 966 143 151 ARG HG3 H 1.707 . . 967 143 151 ARG HD2 H 3.181 . . 968 143 151 ARG HD3 H 3.178 . . 969 143 151 ARG HE H 7.395 . . 970 143 151 ARG HH11 H 6.798 . . 971 143 151 ARG HH21 H 6.798 . . 972 143 151 ARG CA C 57.767 . . 973 143 151 ARG CB C 30.750 . . 974 143 151 ARG N N 123.130 . . 975 143 151 ARG NE N 126.636 . . 976 144 152 LEU H H 8.161 . . 977 144 152 LEU HA H 4.219 . . 978 144 152 LEU HB2 H 1.671 . . 979 144 152 LEU HD1 H 0.884 . . 980 144 152 LEU CA C 56.368 . . 981 144 152 LEU CB C 42.516 . . 982 144 152 LEU N N 120.508 . . 983 145 153 ALA H H 8.069 . . 984 145 153 ALA HA H 4.191 . . 985 145 153 ALA HB H 1.433 . . 986 145 153 ALA CA C 53.837 . . 987 145 153 ALA CB C 19.172 . . 988 145 153 ALA N N 121.958 . . 989 146 154 CYS H H 8.082 . . 990 146 154 CYS HA H 4.331 . . 991 146 154 CYS HB3 H 2.966 . . 992 146 154 CYS CA C 60.384 . . 993 146 154 CYS CB C 27.843 . . 994 146 154 CYS N N 115.264 . . 995 147 155 GLY H H 8.252 . . 996 147 155 GLY HA3 H 3.934 . . 997 147 155 GLY CA C 46.034 . . 998 147 155 GLY N N 109.244 . . 999 148 156 VAL CA C 64.211 . . 1000 148 156 VAL CB C 32.521 . . 1001 149 157 ILE H H 7.855 . . 1002 149 157 ILE HA H 4.035 . . 1003 149 157 ILE HB H 1.911 . . 1004 149 157 ILE HG12 H 1.558 . . 1005 149 157 ILE HG13 H 1.218 . . 1006 149 157 ILE HD1 H 0.905 . . 1007 149 157 ILE CA C 62.543 . . 1008 149 157 ILE CB C 38.707 . . 1009 149 157 ILE N N 119.276 . . 1010 150 158 GLY H H 8.038 . . 1011 150 158 GLY HA2 H 3.903 . . 1012 150 158 GLY HA3 H 3.995 . . 1013 150 158 GLY CA C 46.177 . . 1014 150 158 GLY N N 108.750 . . 1015 151 159 ILE H H 7.901 . . 1016 151 159 ILE HA H 4.029 . . 1017 151 159 ILE HB H 1.923 . . 1018 151 159 ILE HG13 H 1.231 . . 1019 151 159 ILE HD1 H 0.927 . . 1020 151 159 ILE CA C 62.637 . . 1021 151 159 ILE CB C 38.735 . . 1022 151 159 ILE N N 119.333 . . 1023 152 160 ALA H H 8.105 . . 1024 152 160 ALA HA H 4.194 . . 1025 152 160 ALA HB H 1.406 . . 1026 152 160 ALA CA C 53.547 . . 1027 152 160 ALA CB C 19.272 . . 1028 152 160 ALA N N 122.591 . . 1029 153 161 GLN H H 7.736 . . 1030 153 161 GLN HA H 4.288 . . 1031 153 161 GLN HB2 H 2.031 . . 1032 153 161 GLN HB3 H 2.183 . . 1033 153 161 GLN HG2 H 2.359 . . 1034 153 161 GLN HG3 H 2.508 . . 1035 153 161 GLN HE21 H 6.747 . . 1036 153 161 GLN HE22 H 7.488 . . 1037 153 161 GLN CA C 56.075 . . 1038 153 161 GLN CB C 29.571 . . 1039 153 161 GLN N N 114.848 . . 1040 153 161 GLN NE2 N 111.627 . . stop_ save_