data_25243 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; AN ARSENATE REDUCTASE IN OXIDIZED STATE ; _BMRB_accession_number 25243 _BMRB_flat_file_name bmr25243.str _Entry_type original _Submission_date 2014-09-23 _Accession_date 2014-09-23 _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 Jin Changwen . . 2 Hu Cuiyun . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 723 "13C chemical shifts" 542 "15N chemical shifts" 138 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-09-22 update BMRB 'update entry citation' 2015-08-03 original author 'original release' stop_ _Original_release_date 2015-08-03 save_ ############################# # Citation for this entry # ############################# save_ArsC _Saveframe_category entry_citation _Citation_full . _Citation_title ; A Hybrid Mechanism for the Synechocystis Arsenate Reductase Revealed by Structural Snapshots during Arsenate Reduction ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26224634 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jin Changwen . . 2 Hu Cuiyun . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 290 _Journal_issue 36 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 22262 _Page_last 22273 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Arsenate Reductase' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Arsenate Reductase' $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 14409.351 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; MKKVMFVSKRNSSRSQMAEG FAKTLGAGKIAVTSSGLESS RVHPTAIAMMEEVGIDISGQ TSDPIENFNADDYDVVISLC GCGVNLPPEWVTQEIFEDWQ LEDPDGQSLEVFRTVRGQVK ERVENLIAKIS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 LYS 4 VAL 5 MET 6 PHE 7 VAL 8 SER 9 LYS 10 ARG 11 ASN 12 SER 13 SER 14 ARG 15 SER 16 GLN 17 MET 18 ALA 19 GLU 20 GLY 21 PHE 22 ALA 23 LYS 24 THR 25 LEU 26 GLY 27 ALA 28 GLY 29 LYS 30 ILE 31 ALA 32 VAL 33 THR 34 SER 35 SER 36 GLY 37 LEU 38 GLU 39 SER 40 SER 41 ARG 42 VAL 43 HIS 44 PRO 45 THR 46 ALA 47 ILE 48 ALA 49 MET 50 MET 51 GLU 52 GLU 53 VAL 54 GLY 55 ILE 56 ASP 57 ILE 58 SER 59 GLY 60 GLN 61 THR 62 SER 63 ASP 64 PRO 65 ILE 66 GLU 67 ASN 68 PHE 69 ASN 70 ALA 71 ASP 72 ASP 73 TYR 74 ASP 75 VAL 76 VAL 77 ILE 78 SER 79 LEU 80 CYS 81 GLY 82 CYS 83 GLY 84 VAL 85 ASN 86 LEU 87 PRO 88 PRO 89 GLU 90 TRP 91 VAL 92 THR 93 GLN 94 GLU 95 ILE 96 PHE 97 GLU 98 ASP 99 TRP 100 GLN 101 LEU 102 GLU 103 ASP 104 PRO 105 ASP 106 GLY 107 GLN 108 SER 109 LEU 110 GLU 111 VAL 112 PHE 113 ARG 114 THR 115 VAL 116 ARG 117 GLY 118 GLN 119 VAL 120 LYS 121 GLU 122 ARG 123 VAL 124 GLU 125 ASN 126 LEU 127 ILE 128 ALA 129 LYS 130 ILE 131 SER 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 $entity Synechocystis 1142 Bacteria . Synechocystis . 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 . 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 $entity 0.3 mM [U-15N] 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.3 mM '[U-13C; U-15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ 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_Bruker_Avance_500_MHz _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_Bruker_Avance_800_MHz _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_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 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 . 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 '2D 1H-15N HSQC' '3D HNCO' '3D CBCA(CO)NH' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Arsenate Reductase' _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 4.013 . . 2 1 1 MET HB2 H 2.056 . . 3 1 1 MET HB3 H 1.945 . . 4 1 1 MET HG2 H 2.320 . . 5 1 1 MET HG3 H 2.414 . . 6 1 1 MET C C 179.754 . . 7 1 1 MET CA C 55.224 . . 8 1 1 MET CB C 34.110 . . 9 1 1 MET CG C 30.718 . . 10 2 2 LYS H H 8.440 . . 11 2 2 LYS HA H 4.582 . . 12 2 2 LYS HB2 H 1.828 . . 13 2 2 LYS HB3 H 1.562 . . 14 2 2 LYS HG2 H 1.497 . . 15 2 2 LYS HG3 H 1.581 . . 16 2 2 LYS HD2 H 1.655 . . 17 2 2 LYS HD3 H 1.503 . . 18 2 2 LYS HE2 H 2.994 . . 19 2 2 LYS C C 178.616 . . 20 2 2 LYS CA C 55.470 . . 21 2 2 LYS CB C 34.485 . . 22 2 2 LYS CG C 25.356 . . 23 2 2 LYS CD C 28.931 . . 24 2 2 LYS CE C 42.160 . . 25 2 2 LYS N N 124.318 . . 26 3 3 LYS H H 9.799 . . 27 3 3 LYS HA H 5.081 . . 28 3 3 LYS HB2 H 1.721 . . 29 3 3 LYS HB3 H 1.721 . . 30 3 3 LYS HG2 H 1.497 . . 31 3 3 LYS HG3 H 1.309 . . 32 3 3 LYS HD2 H 1.501 . . 33 3 3 LYS HD3 H 1.501 . . 34 3 3 LYS HE2 H 2.752 . . 35 3 3 LYS C C 177.360 . . 36 3 3 LYS CA C 55.850 . . 37 3 3 LYS CB C 33.840 . . 38 3 3 LYS CG C 25.096 . . 39 3 3 LYS CD C 28.700 . . 40 3 3 LYS CE C 41.727 . . 41 3 3 LYS N N 123.564 . . 42 4 4 VAL H H 9.081 . . 43 4 4 VAL HA H 5.010 . . 44 4 4 VAL HB H 1.777 . . 45 4 4 VAL HG1 H 0.671 . . 46 4 4 VAL HG2 H 0.035 . . 47 4 4 VAL C C 180.497 . . 48 4 4 VAL CA C 60.378 . . 49 4 4 VAL CB C 34.753 . . 50 4 4 VAL CG1 C 21.232 . . 51 4 4 VAL CG2 C 20.690 . . 52 4 4 VAL N N 126.282 . . 53 5 5 MET H H 8.702 . . 54 5 5 MET HA H 4.861 . . 55 5 5 MET HB2 H 0.983 . . 56 5 5 MET HB3 H 1.556 . . 57 5 5 MET HG2 H 1.716 . . 58 5 5 MET HG3 H 1.511 . . 59 5 5 MET HE H 0.609 . . 60 5 5 MET C C 179.658 . . 61 5 5 MET CA C 51.980 . . 62 5 5 MET CB C 33.270 . . 63 5 5 MET CG C 31.756 . . 64 5 5 MET CE C 16.707 . . 65 5 5 MET N N 125.603 . . 66 6 6 PHE H H 8.270 . . 67 6 6 PHE HA H 5.225 . . 68 6 6 PHE HB2 H 2.589 . . 69 6 6 PHE HB3 H 2.469 . . 70 6 6 PHE HD1 H 6.771 . . 71 6 6 PHE HE1 H 6.918 . . 72 6 6 PHE HZ H 6.846 . . 73 6 6 PHE C C 179.066 . . 74 6 6 PHE CA C 56.480 . . 75 6 6 PHE CB C 41.650 . . 76 6 6 PHE CD1 C 131.620 . . 77 6 6 PHE CE1 C 130.685 . . 78 6 6 PHE CZ C 127.960 . . 79 6 6 PHE N N 124.757 . . 80 7 7 VAL H H 9.257 . . 81 7 7 VAL HA H 5.082 . . 82 7 7 VAL HB H 1.543 . . 83 7 7 VAL HG1 H 0.699 . . 84 7 7 VAL HG2 H 0.318 . . 85 7 7 VAL C C 177.691 . . 86 7 7 VAL CA C 59.990 . . 87 7 7 VAL CB C 34.870 . . 88 7 7 VAL CG1 C 20.592 . . 89 7 7 VAL CG2 C 20.748 . . 90 7 7 VAL N N 121.955 . . 91 8 8 SER H H 8.761 . . 92 8 8 SER HA H 5.087 . . 93 8 8 SER HB2 H 3.251 . . 94 8 8 SER HB3 H 3.678 . . 95 8 8 SER C C 181.225 . . 96 8 8 SER CA C 57.580 . . 97 8 8 SER CB C 63.622 . . 98 8 8 SER N N 119.968 . . 99 9 9 LYS H H 8.992 . . 100 9 9 LYS HA H 4.175 . . 101 9 9 LYS HB2 H 1.911 . . 102 9 9 LYS HB3 H 2.126 . . 103 9 9 LYS HG2 H 1.541 . . 104 9 9 LYS HG3 H 1.413 . . 105 9 9 LYS HD2 H 1.828 . . 106 9 9 LYS HD3 H 1.682 . . 107 9 9 LYS HE2 H 2.995 . . 108 9 9 LYS C C 175.564 . . 109 9 9 LYS CA C 60.924 . . 110 9 9 LYS CB C 32.940 . . 111 9 9 LYS CG C 25.837 . . 112 9 9 LYS CD C 29.338 . . 113 9 9 LYS CE C 41.957 . . 114 9 9 LYS N N 121.488 . . 115 10 10 ARG H H 8.240 . . 116 10 10 ARG HA H 4.967 . . 117 10 10 ARG HB2 H 1.952 . . 118 10 10 ARG HB3 H 1.782 . . 119 10 10 ARG HG3 H 1.522 . . 120 10 10 ARG HD2 H 3.262 . . 121 10 10 ARG HD3 H 3.175 . . 122 10 10 ARG C C 177.727 . . 123 10 10 ARG CA C 54.720 . . 124 10 10 ARG CB C 30.831 . . 125 10 10 ARG CG C 28.034 . . 126 10 10 ARG CD C 43.370 . . 127 10 10 ARG N N 113.427 . . 128 11 11 ASN H H 7.552 . . 129 11 11 ASN HA H 3.776 . . 130 11 11 ASN HB2 H 3.017 . . 131 11 11 ASN HB3 H 2.096 . . 132 11 11 ASN HD21 H 7.784 . . 133 11 11 ASN HD22 H 7.697 . . 134 11 11 ASN C C 179.330 . . 135 11 11 ASN CA C 53.869 . . 136 11 11 ASN CB C 38.680 . . 137 11 11 ASN N N 115.702 . . 138 11 11 ASN ND2 N 107.887 . . 139 12 12 SER H H 10.100 . . 140 12 12 SER HA H 5.226 . . 141 12 12 SER HB2 H 4.102 . . 142 12 12 SER HB3 H 4.058 . . 143 12 12 SER C C 178.054 . . 144 12 12 SER CA C 59.120 . . 145 12 12 SER CB C 67.090 . . 146 12 12 SER N N 117.130 . . 147 13 13 SER H H 9.285 . . 148 13 13 SER HA H 4.326 . . 149 13 13 SER HB2 H 3.804 . . 150 13 13 SER HB3 H 3.924 . . 151 13 13 SER CA C 60.680 . . 152 13 13 SER CB C 65.430 . . 153 13 13 SER N N 115.968 . . 154 15 15 SER HA H 3.872 . . 155 15 15 SER HB2 H 3.947 . . 156 15 15 SER HB3 H 3.765 . . 157 15 15 SER CA C 59.761 . . 158 15 15 SER CB C 63.169 . . 159 16 16 GLN H H 6.139 . . 160 16 16 GLN HA H 4.138 . . 161 16 16 GLN HB2 H 2.043 . . 162 16 16 GLN HB3 H 1.497 . . 163 16 16 GLN HG2 H 2.234 . . 164 16 16 GLN HG3 H 1.652 . . 165 16 16 GLN HE21 H 6.455 . . 166 16 16 GLN HE22 H 6.266 . . 167 16 16 GLN C C 174.291 . . 168 16 16 GLN CA C 57.672 . . 169 16 16 GLN CB C 26.816 . . 170 16 16 GLN CG C 30.778 . . 171 16 16 GLN N N 121.248 . . 172 16 16 GLN NE2 N 107.418 . . 173 17 17 MET H H 8.359 . . 174 17 17 MET HA H 3.854 . . 175 17 17 MET HB2 H 2.361 . . 176 17 17 MET HB3 H 3.017 . . 177 17 17 MET HG2 H 2.086 . . 178 17 17 MET HG3 H 2.327 . . 179 17 17 MET HE H 2.081 . . 180 17 17 MET C C 176.788 . . 181 17 17 MET CA C 60.290 . . 182 17 17 MET CB C 32.966 . . 183 17 17 MET CG C 33.720 . . 184 17 17 MET CE C 16.965 . . 185 17 17 MET N N 118.091 . . 186 18 18 ALA H H 7.490 . . 187 18 18 ALA HA H 3.588 . . 188 18 18 ALA HB H 0.342 . . 189 18 18 ALA C C 176.430 . . 190 18 18 ALA CA C 55.950 . . 191 18 18 ALA CB C 16.517 . . 192 18 18 ALA N N 119.371 . . 193 19 19 GLU H H 7.652 . . 194 19 19 GLU HA H 3.754 . . 195 19 19 GLU HB2 H 1.992 . . 196 19 19 GLU HB3 H 1.950 . . 197 19 19 GLU HG2 H 2.008 . . 198 19 19 GLU HG3 H 2.111 . . 199 19 19 GLU C C 176.394 . . 200 19 19 GLU CA C 59.760 . . 201 19 19 GLU CB C 29.339 . . 202 19 19 GLU CG C 34.985 . . 203 19 19 GLU N N 117.626 . . 204 20 20 GLY H H 7.849 . . 205 20 20 GLY HA2 H 3.751 . . 206 20 20 GLY HA3 H 3.226 . . 207 20 20 GLY C C 177.599 . . 208 20 20 GLY CA C 48.031 . . 209 20 20 GLY N N 104.838 . . 210 21 21 PHE H H 8.355 . . 211 21 21 PHE HA H 4.379 . . 212 21 21 PHE HB2 H 3.043 . . 213 21 21 PHE HB3 H 2.805 . . 214 21 21 PHE HD1 H 7.092 . . 215 21 21 PHE HE1 H 7.418 . . 216 21 21 PHE C C 175.954 . . 217 21 21 PHE CA C 62.453 . . 218 21 21 PHE CB C 39.440 . . 219 21 21 PHE CD1 C 131.414 . . 220 21 21 PHE CE1 C 132.000 . . 221 21 21 PHE N N 119.315 . . 222 22 22 ALA H H 9.191 . . 223 22 22 ALA HA H 3.912 . . 224 22 22 ALA HB H 1.678 . . 225 22 22 ALA C C 172.881 . . 226 22 22 ALA CA C 55.880 . . 227 22 22 ALA CB C 19.719 . . 228 22 22 ALA N N 121.931 . . 229 23 23 LYS H H 8.703 . . 230 23 23 LYS HA H 4.230 . . 231 23 23 LYS HB2 H 1.863 . . 232 23 23 LYS HB3 H 2.055 . . 233 23 23 LYS HG2 H 1.491 . . 234 23 23 LYS HG3 H 1.744 . . 235 23 23 LYS HD2 H 1.764 . . 236 23 23 LYS HD3 H 1.695 . . 237 23 23 LYS HE2 H 2.903 . . 238 23 23 LYS HE3 H 2.778 . . 239 23 23 LYS C C 175.954 . . 240 23 23 LYS CA C 58.890 . . 241 23 23 LYS CB C 31.940 . . 242 23 23 LYS CG C 25.841 . . 243 23 23 LYS CD C 29.640 . . 244 23 23 LYS CE C 42.169 . . 245 23 23 LYS N N 116.659 . . 246 24 24 THR H H 7.211 . . 247 24 24 THR HA H 4.254 . . 248 24 24 THR HB H 4.246 . . 249 24 24 THR HG2 H 1.353 . . 250 24 24 THR C C 178.520 . . 251 24 24 THR CA C 65.340 . . 252 24 24 THR CB C 69.560 . . 253 24 24 THR CG2 C 21.111 . . 254 24 24 THR N N 113.788 . . 255 25 25 LEU H H 8.708 . . 256 25 25 LEU HA H 4.367 . . 257 25 25 LEU HB2 H 1.645 . . 258 25 25 LEU HB3 H 1.601 . . 259 25 25 LEU HG H 0.923 . . 260 25 25 LEU HD1 H 1.005 . . 261 25 25 LEU HD2 H 0.725 . . 262 25 25 LEU C C 175.254 . . 263 25 25 LEU CA C 56.690 . . 264 25 25 LEU CB C 42.410 . . 265 25 25 LEU CG C 25.456 . . 266 25 25 LEU CD1 C 22.431 . . 267 25 25 LEU CD2 C 25.743 . . 268 25 25 LEU N N 120.618 . . 269 26 26 GLY H H 7.855 . . 270 26 26 GLY HA2 H 4.241 . . 271 26 26 GLY HA3 H 3.651 . . 272 26 26 GLY C C 180.152 . . 273 26 26 GLY CA C 45.185 . . 274 26 26 GLY N N 105.420 . . 275 27 27 ALA H H 7.054 . . 276 27 27 ALA HA H 4.290 . . 277 27 27 ALA HB H 1.549 . . 278 27 27 ALA C C 175.129 . . 279 27 27 ALA CA C 54.195 . . 280 27 27 ALA CB C 18.009 . . 281 27 27 ALA N N 123.530 . . 282 28 28 GLY H H 9.189 . . 283 28 28 GLY HA2 H 4.281 . . 284 28 28 GLY HA3 H 3.774 . . 285 28 28 GLY C C 179.551 . . 286 28 28 GLY CA C 45.830 . . 287 28 28 GLY N N 111.626 . . 288 29 29 LYS H H 8.386 . . 289 29 29 LYS HA H 4.557 . . 290 29 29 LYS HB2 H 1.761 . . 291 29 29 LYS HB3 H 1.952 . . 292 29 29 LYS HG2 H 1.461 . . 293 29 29 LYS HG3 H 1.412 . . 294 29 29 LYS HD2 H 1.729 . . 295 29 29 LYS HD3 H 1.638 . . 296 29 29 LYS HE2 H 3.037 . . 297 29 29 LYS C C 177.664 . . 298 29 29 LYS CA C 57.320 . . 299 29 29 LYS CB C 35.140 . . 300 29 29 LYS CG C 25.132 . . 301 29 29 LYS CD C 29.443 . . 302 29 29 LYS CE C 42.266 . . 303 29 29 LYS N N 118.287 . . 304 30 30 ILE H H 7.666 . . 305 30 30 ILE HA H 5.089 . . 306 30 30 ILE HB H 1.774 . . 307 30 30 ILE HG12 H 1.094 . . 308 30 30 ILE HG13 H 1.356 . . 309 30 30 ILE HG2 H 0.861 . . 310 30 30 ILE HD1 H 0.777 . . 311 30 30 ILE C C 180.099 . . 312 30 30 ILE CA C 58.970 . . 313 30 30 ILE CB C 42.540 . . 314 30 30 ILE CG1 C 25.382 . . 315 30 30 ILE CG2 C 18.941 . . 316 30 30 ILE CD1 C 13.879 . . 317 30 30 ILE N N 111.060 . . 318 31 31 ALA H H 8.745 . . 319 31 31 ALA HA H 4.929 . . 320 31 31 ALA HB H 1.403 . . 321 31 31 ALA C C 176.632 . . 322 31 31 ALA CA C 50.819 . . 323 31 31 ALA CB C 20.819 . . 324 31 31 ALA N N 126.864 . . 325 32 32 VAL H H 8.936 . . 326 32 32 VAL HA H 5.241 . . 327 32 32 VAL HB H 1.999 . . 328 32 32 VAL HG1 H 1.108 . . 329 32 32 VAL HG2 H 0.960 . . 330 32 32 VAL C C 179.441 . . 331 32 32 VAL CA C 61.153 . . 332 32 32 VAL CB C 35.142 . . 333 32 32 VAL CG1 C 22.650 . . 334 32 32 VAL CG2 C 22.135 . . 335 32 32 VAL N N 122.032 . . 336 33 33 THR H H 8.851 . . 337 33 33 THR HA H 4.435 . . 338 33 33 THR HB H 3.632 . . 339 33 33 THR HG2 H 0.902 . . 340 33 33 THR C C 182.772 . . 341 33 33 THR CA C 61.296 . . 342 33 33 THR CB C 71.793 . . 343 33 33 THR CG2 C 22.382 . . 344 33 33 THR N N 123.122 . . 345 34 34 SER H H 8.464 . . 346 34 34 SER HA H 5.630 . . 347 34 34 SER HB2 H 3.869 . . 348 34 34 SER HB3 H 3.600 . . 349 34 34 SER C C 181.295 . . 350 34 34 SER CA C 57.210 . . 351 34 34 SER CB C 66.978 . . 352 34 34 SER N N 118.105 . . 353 35 35 SER H H 8.984 . . 354 35 35 SER HA H 4.928 . . 355 35 35 SER HB2 H 3.307 . . 356 35 35 SER HB3 H 3.218 . . 357 35 35 SER C C 180.199 . . 358 35 35 SER CA C 58.080 . . 359 35 35 SER CB C 66.089 . . 360 35 35 SER N N 114.446 . . 361 36 36 GLY H H 8.630 . . 362 36 36 GLY HA2 H 5.102 . . 363 36 36 GLY HA3 H 3.286 . . 364 36 36 GLY C C 180.384 . . 365 36 36 GLY CA C 43.514 . . 366 36 36 GLY N N 104.367 . . 367 37 37 LEU H H 7.654 . . 368 37 37 LEU HA H 4.057 . . 369 37 37 LEU HB2 H 2.039 . . 370 37 37 LEU HB3 H 1.695 . . 371 37 37 LEU HG H 1.766 . . 372 37 37 LEU HD1 H 0.772 . . 373 37 37 LEU HD2 H 0.946 . . 374 37 37 LEU C C 175.240 . . 375 37 37 LEU CA C 58.134 . . 376 37 37 LEU CB C 40.786 . . 377 37 37 LEU CG C 27.598 . . 378 37 37 LEU CD1 C 22.532 . . 379 37 37 LEU CD2 C 25.940 . . 380 37 37 LEU N N 121.251 . . 381 38 38 GLU H H 8.288 . . 382 38 38 GLU HA H 4.499 . . 383 38 38 GLU HB2 H 2.077 . . 384 38 38 GLU HB3 H 1.938 . . 385 38 38 GLU HG2 H 2.319 . . 386 38 38 GLU HG3 H 2.062 . . 387 38 38 GLU C C 180.152 . . 388 38 38 GLU CA C 54.230 . . 389 38 38 GLU CB C 33.205 . . 390 38 38 GLU CG C 36.030 . . 391 38 38 GLU N N 116.110 . . 392 39 39 SER H H 8.292 . . 393 39 39 SER HA H 4.277 . . 394 39 39 SER HB2 H 3.715 . . 395 39 39 SER HB3 H 3.234 . . 396 39 39 SER C C 179.124 . . 397 39 39 SER CA C 57.287 . . 398 39 39 SER CB C 65.570 . . 399 39 39 SER N N 111.734 . . 400 40 40 SER H H 8.633 . . 401 40 40 SER HA H 4.383 . . 402 40 40 SER HB2 H 3.938 . . 403 40 40 SER HB3 H 3.889 . . 404 40 40 SER C C 180.356 . . 405 40 40 SER CA C 57.594 . . 406 40 40 SER CB C 63.202 . . 407 40 40 SER N N 114.334 . . 408 41 41 ARG H H 9.086 . . 409 41 41 ARG HA H 4.671 . . 410 41 41 ARG HB2 H 1.754 . . 411 41 41 ARG HB3 H 1.982 . . 412 41 41 ARG HG2 H 1.606 . . 413 41 41 ARG HG3 H 1.318 . . 414 41 41 ARG HD2 H 3.089 . . 415 41 41 ARG HD3 H 3.089 . . 416 41 41 ARG C C 178.892 . . 417 41 41 ARG CA C 54.339 . . 418 41 41 ARG CB C 32.130 . . 419 41 41 ARG CG C 25.250 . . 420 41 41 ARG CD C 43.500 . . 421 41 41 ARG N N 122.880 . . 422 42 42 VAL H H 8.885 . . 423 42 42 VAL HA H 3.767 . . 424 42 42 VAL HB H 1.898 . . 425 42 42 VAL HG1 H 0.760 . . 426 42 42 VAL HG2 H 0.760 . . 427 42 42 VAL C C 178.399 . . 428 42 42 VAL CA C 64.787 . . 429 42 42 VAL CB C 31.030 . . 430 42 42 VAL CG1 C 21.865 . . 431 42 42 VAL CG2 C 21.865 . . 432 42 42 VAL N N 123.212 . . 433 43 43 HIS H H 9.054 . . 434 43 43 HIS HA H 4.277 . . 435 43 43 HIS HB2 H 3.295 . . 436 43 43 HIS HB3 H 3.046 . . 437 43 43 HIS HD2 H 7.259 . . 438 43 43 HIS HE1 H 6.424 . . 439 43 43 HIS CA C 56.993 . . 440 43 43 HIS CB C 32.690 . . 441 43 43 HIS CD2 C 117.803 . . 442 43 43 HIS CE1 C 129.586 . . 443 43 43 HIS N N 133.201 . . 444 44 44 PRO HA H 4.202 . . 445 44 44 PRO HB2 H 2.360 . . 446 44 44 PRO HB3 H 1.985 . . 447 44 44 PRO HG2 H 1.970 . . 448 44 44 PRO HG3 H 1.929 . . 449 44 44 PRO HD2 H 3.690 . . 450 44 44 PRO HD3 H 2.938 . . 451 44 44 PRO C C 173.454 . . 452 44 44 PRO CA C 65.450 . . 453 44 44 PRO CB C 32.190 . . 454 44 44 PRO CG C 27.570 . . 455 44 44 PRO CD C 50.742 . . 456 45 45 THR H H 11.804 . . 457 45 45 THR HA H 3.934 . . 458 45 45 THR HB H 3.242 . . 459 45 45 THR HG2 H 0.281 . . 460 45 45 THR C C 176.997 . . 461 45 45 THR CA C 65.743 . . 462 45 45 THR CB C 67.243 . . 463 45 45 THR CG2 C 23.396 . . 464 45 45 THR N N 121.717 . . 465 46 46 ALA H H 7.371 . . 466 46 46 ALA HA H 3.903 . . 467 46 46 ALA HB H 1.760 . . 468 46 46 ALA C C 174.435 . . 469 46 46 ALA CA C 56.180 . . 470 46 46 ALA CB C 17.603 . . 471 46 46 ALA N N 124.865 . . 472 47 47 ILE H H 7.968 . . 473 47 47 ILE HA H 3.372 . . 474 47 47 ILE HB H 1.950 . . 475 47 47 ILE HG12 H 1.758 . . 476 47 47 ILE HG13 H 0.465 . . 477 47 47 ILE HG2 H 0.895 . . 478 47 47 ILE HD1 H 0.784 . . 479 47 47 ILE C C 174.206 . . 480 47 47 ILE CA C 65.600 . . 481 47 47 ILE CB C 37.998 . . 482 47 47 ILE CG1 C 29.859 . . 483 47 47 ILE CG2 C 17.263 . . 484 47 47 ILE CD1 C 13.446 . . 485 47 47 ILE N N 117.506 . . 486 48 48 ALA H H 7.780 . . 487 48 48 ALA HA H 4.260 . . 488 48 48 ALA HB H 1.476 . . 489 48 48 ALA C C 174.255 . . 490 48 48 ALA CA C 55.250 . . 491 48 48 ALA CB C 17.990 . . 492 48 48 ALA N N 123.588 . . 493 49 49 MET H H 8.709 . . 494 49 49 MET HA H 4.525 . . 495 49 49 MET HB2 H 2.321 . . 496 49 49 MET HB3 H 1.685 . . 497 49 49 MET HG2 H 2.524 . . 498 49 49 MET HE H 1.962 . . 499 49 49 MET C C 173.931 . . 500 49 49 MET CA C 56.398 . . 501 49 49 MET CB C 34.742 . . 502 49 49 MET CG C 33.980 . . 503 49 49 MET CE C 21.340 . . 504 49 49 MET N N 116.656 . . 505 50 50 MET H H 7.953 . . 506 50 50 MET HA H 4.814 . . 507 50 50 MET HB2 H 2.090 . . 508 50 50 MET HB3 H 1.896 . . 509 50 50 MET HG2 H 2.634 . . 510 50 50 MET HG3 H 2.211 . . 511 50 50 MET HE H 0.729 . . 512 50 50 MET C C 174.676 . . 513 50 50 MET CA C 55.030 . . 514 50 50 MET CB C 28.990 . . 515 50 50 MET CG C 33.591 . . 516 50 50 MET CE C 15.548 . . 517 50 50 MET N N 118.900 . . 518 51 51 GLU H H 8.287 . . 519 51 51 GLU HA H 3.918 . . 520 51 51 GLU HB2 H 2.196 . . 521 51 51 GLU HB3 H 2.150 . . 522 51 51 GLU HG2 H 2.380 . . 523 51 51 GLU HG3 H 2.204 . . 524 51 51 GLU C C 173.031 . . 525 51 51 GLU CA C 59.853 . . 526 51 51 GLU CB C 29.192 . . 527 51 51 GLU CG C 36.224 . . 528 51 51 GLU N N 124.760 . . 529 52 52 GLU H H 7.533 . . 530 52 52 GLU HA H 4.156 . . 531 52 52 GLU HB2 H 2.248 . . 532 52 52 GLU HB3 H 2.149 . . 533 52 52 GLU HG2 H 2.663 . . 534 52 52 GLU HG3 H 2.359 . . 535 52 52 GLU C C 175.655 . . 536 52 52 GLU CA C 59.247 . . 537 52 52 GLU CB C 30.345 . . 538 52 52 GLU CG C 37.009 . . 539 52 52 GLU N N 117.033 . . 540 53 53 VAL H H 7.224 . . 541 53 53 VAL HA H 4.749 . . 542 53 53 VAL HB H 2.772 . . 543 53 53 VAL HG1 H 0.991 . . 544 53 53 VAL HG2 H 1.103 . . 545 53 53 VAL C C 177.923 . . 546 53 53 VAL CA C 59.490 . . 547 53 53 VAL CB C 30.495 . . 548 53 53 VAL CG1 C 21.197 . . 549 53 53 VAL CG2 C 19.802 . . 550 53 53 VAL N N 107.808 . . 551 54 54 GLY H H 7.819 . . 552 54 54 GLY HA2 H 4.088 . . 553 54 54 GLY HA3 H 3.853 . . 554 54 54 GLY C C 179.277 . . 555 54 54 GLY CA C 46.280 . . 556 54 54 GLY N N 108.583 . . 557 55 55 ILE H H 7.897 . . 558 55 55 ILE HA H 4.134 . . 559 55 55 ILE HB H 1.097 . . 560 55 55 ILE HG12 H 1.438 . . 561 55 55 ILE HG13 H 0.897 . . 562 55 55 ILE HG2 H 0.396 . . 563 55 55 ILE HD1 H 0.570 . . 564 55 55 ILE C C 180.116 . . 565 55 55 ILE CA C 60.640 . . 566 55 55 ILE CB C 41.120 . . 567 55 55 ILE CG1 C 27.289 . . 568 55 55 ILE CG2 C 16.554 . . 569 55 55 ILE CD1 C 14.750 . . 570 55 55 ILE N N 121.234 . . 571 56 56 ASP H H 8.756 . . 572 56 56 ASP HA H 4.722 . . 573 56 56 ASP HB2 H 2.604 . . 574 56 56 ASP HB3 H 2.862 . . 575 56 56 ASP C C 176.315 . . 576 56 56 ASP CA C 52.330 . . 577 56 56 ASP CB C 41.065 . . 578 56 56 ASP N N 126.882 . . 579 57 57 ILE H H 8.589 . . 580 57 57 ILE HA H 4.449 . . 581 57 57 ILE HB H 2.215 . . 582 57 57 ILE HG12 H 1.073 . . 583 57 57 ILE HG13 H 0.970 . . 584 57 57 ILE HG2 H 0.692 . . 585 57 57 ILE HD1 H 0.478 . . 586 57 57 ILE C C 177.021 . . 587 57 57 ILE CA C 61.189 . . 588 57 57 ILE CB C 38.102 . . 589 57 57 ILE CG1 C 27.756 . . 590 57 57 ILE CG2 C 18.249 . . 591 57 57 ILE CD1 C 14.700 . . 592 57 57 ILE N N 119.830 . . 593 58 58 SER H H 8.707 . . 594 58 58 SER HA H 3.979 . . 595 58 58 SER HB2 H 3.757 . . 596 58 58 SER C C 178.719 . . 597 58 58 SER CA C 63.105 . . 598 58 58 SER CB C 62.072 . . 599 58 58 SER N N 118.346 . . 600 59 59 GLY H H 8.546 . . 601 59 59 GLY HA2 H 4.367 . . 602 59 59 GLY HA3 H 3.540 . . 603 59 59 GLY C C 178.630 . . 604 59 59 GLY CA C 44.479 . . 605 59 59 GLY N N 110.766 . . 606 60 60 GLN H H 7.255 . . 607 60 60 GLN HA H 4.382 . . 608 60 60 GLN HB2 H 2.372 . . 609 60 60 GLN HB3 H 2.062 . . 610 60 60 GLN HG2 H 2.216 . . 611 60 60 GLN HG3 H 2.395 . . 612 60 60 GLN HE21 H 6.468 . . 613 60 60 GLN HE22 H 8.508 . . 614 60 60 GLN C C 179.095 . . 615 60 60 GLN CA C 56.164 . . 616 60 60 GLN CB C 28.610 . . 617 60 60 GLN CG C 36.803 . . 618 60 60 GLN N N 120.776 . . 619 60 60 GLN NE2 N 110.230 . . 620 61 61 THR H H 8.384 . . 621 61 61 THR HA H 4.416 . . 622 61 61 THR HB H 4.257 . . 623 61 61 THR HG2 H 1.169 . . 624 61 61 THR C C 178.085 . . 625 61 61 THR CA C 60.115 . . 626 61 61 THR CB C 69.767 . . 627 61 61 THR CG2 C 21.805 . . 628 61 61 THR N N 108.698 . . 629 62 62 SER H H 8.781 . . 630 62 62 SER HA H 4.944 . . 631 62 62 SER HB2 H 3.677 . . 632 62 62 SER HB3 H 3.259 . . 633 62 62 SER C C 179.448 . . 634 62 62 SER CA C 55.680 . . 635 62 62 SER CB C 63.590 . . 636 62 62 SER N N 119.145 . . 637 63 63 ASP H H 9.885 . . 638 63 63 ASP HA H 5.415 . . 639 63 63 ASP HB2 H 2.791 . . 640 63 63 ASP HB3 H 2.660 . . 641 63 63 ASP CA C 51.873 . . 642 63 63 ASP CB C 46.568 . . 643 63 63 ASP N N 128.402 . . 644 64 64 PRO HA H 4.870 . . 645 64 64 PRO HB2 H 2.343 . . 646 64 64 PRO HB3 H 2.125 . . 647 64 64 PRO HG2 H 2.177 . . 648 64 64 PRO HG3 H 2.078 . . 649 64 64 PRO HD2 H 3.898 . . 650 64 64 PRO C C 175.585 . . 651 64 64 PRO CA C 61.460 . . 652 64 64 PRO CB C 31.680 . . 653 64 64 PRO CG C 26.930 . . 654 64 64 PRO CD C 50.442 . . 655 65 65 ILE H H 8.843 . . 656 65 65 ILE HA H 3.924 . . 657 65 65 ILE HB H 1.243 . . 658 65 65 ILE HG12 H 0.557 . . 659 65 65 ILE HG13 H 0.706 . . 660 65 65 ILE HG2 H 0.751 . . 661 65 65 ILE HD1 H -0.575 . . 662 65 65 ILE C C 177.350 . . 663 65 65 ILE CA C 64.655 . . 664 65 65 ILE CB C 38.513 . . 665 65 65 ILE CG1 C 29.373 . . 666 65 65 ILE CG2 C 15.902 . . 667 65 65 ILE CD1 C 13.227 . . 668 65 65 ILE N N 124.446 . . 669 66 66 GLU H H 8.519 . . 670 66 66 GLU HA H 4.401 . . 671 66 66 GLU HB2 H 2.155 . . 672 66 66 GLU HB3 H 2.126 . . 673 66 66 GLU HG2 H 2.325 . . 674 66 66 GLU C C 177.107 . . 675 66 66 GLU CA C 58.580 . . 676 66 66 GLU CB C 28.899 . . 677 66 66 GLU CG C 36.311 . . 678 66 66 GLU N N 118.954 . . 679 67 67 ASN H H 7.687 . . 680 67 67 ASN HA H 4.559 . . 681 67 67 ASN HB2 H 2.451 . . 682 67 67 ASN HB3 H 2.359 . . 683 67 67 ASN HD21 H 6.884 . . 684 67 67 ASN HD22 H 7.583 . . 685 67 67 ASN C C 179.682 . . 686 67 67 ASN CA C 53.051 . . 687 67 67 ASN CB C 37.176 . . 688 67 67 ASN N N 118.194 . . 689 67 67 ASN ND2 N 109.528 . . 690 68 68 PHE H H 8.045 . . 691 68 68 PHE HA H 4.901 . . 692 68 68 PHE HB2 H 3.017 . . 693 68 68 PHE HB3 H 3.433 . . 694 68 68 PHE HD1 H 7.355 . . 695 68 68 PHE HD2 H 7.345 . . 696 68 68 PHE HE2 H 6.576 . . 697 68 68 PHE HZ H 7.628 . . 698 68 68 PHE C C 180.595 . . 699 68 68 PHE CA C 57.000 . . 700 68 68 PHE CB C 42.620 . . 701 68 68 PHE CD1 C 132.837 . . 702 68 68 PHE CD2 C 115.549 . . 703 68 68 PHE CE2 C 124.163 . . 704 68 68 PHE CZ C 120.241 . . 705 68 68 PHE N N 118.850 . . 706 69 69 ASN H H 9.177 . . 707 69 69 ASN HA H 5.013 . . 708 69 69 ASN HB2 H 2.898 . . 709 69 69 ASN HB3 H 2.683 . . 710 69 69 ASN HD21 H 6.964 . . 711 69 69 ASN HD22 H 7.525 . . 712 69 69 ASN C C 178.722 . . 713 69 69 ASN CA C 51.310 . . 714 69 69 ASN CB C 39.754 . . 715 69 69 ASN N N 120.042 . . 716 69 69 ASN ND2 N 113.741 . . 717 70 70 ALA H H 8.257 . . 718 70 70 ALA HA H 1.859 . . 719 70 70 ALA HB H -0.292 . . 720 70 70 ALA C C 176.237 . . 721 70 70 ALA CA C 54.520 . . 722 70 70 ALA CB C 18.250 . . 723 70 70 ALA N N 129.925 . . 724 71 71 ASP H H 7.436 . . 725 71 71 ASP HA H 4.222 . . 726 71 71 ASP HB2 H 2.483 . . 727 71 71 ASP HB3 H 2.348 . . 728 71 71 ASP C C 176.183 . . 729 71 71 ASP CA C 55.255 . . 730 71 71 ASP CB C 40.510 . . 731 71 71 ASP N N 109.413 . . 732 72 72 ASP H H 7.579 . . 733 72 72 ASP HA H 4.236 . . 734 72 72 ASP HB2 H 2.749 . . 735 72 72 ASP HB3 H 2.239 . . 736 72 72 ASP C C 178.181 . . 737 72 72 ASP CA C 55.230 . . 738 72 72 ASP CB C 40.520 . . 739 72 72 ASP N N 116.787 . . 740 73 73 TYR H H 7.735 . . 741 73 73 TYR HA H 4.072 . . 742 73 73 TYR HB2 H 2.792 . . 743 73 73 TYR HB3 H 2.717 . . 744 73 73 TYR HD1 H 6.935 . . 745 73 73 TYR HE1 H 7.120 . . 746 73 73 TYR C C 179.937 . . 747 73 73 TYR CA C 59.171 . . 748 73 73 TYR CB C 40.172 . . 749 73 73 TYR CD1 C 118.006 . . 750 73 73 TYR CE1 C 130.196 . . 751 73 73 TYR N N 117.664 . . 752 74 74 ASP H H 8.462 . . 753 74 74 ASP HA H 4.995 . . 754 74 74 ASP HB2 H 2.954 . . 755 74 74 ASP HB3 H 2.624 . . 756 74 74 ASP C C 179.287 . . 757 74 74 ASP CA C 55.960 . . 758 74 74 ASP CB C 45.077 . . 759 74 74 ASP N N 118.905 . . 760 75 75 VAL H H 7.897 . . 761 75 75 VAL HA H 4.502 . . 762 75 75 VAL HB H 1.958 . . 763 75 75 VAL HG1 H 0.704 . . 764 75 75 VAL HG2 H 0.829 . . 765 75 75 VAL C C 180.225 . . 766 75 75 VAL CA C 60.397 . . 767 75 75 VAL CB C 35.140 . . 768 75 75 VAL CG1 C 21.349 . . 769 75 75 VAL CG2 C 20.073 . . 770 75 75 VAL N N 116.183 . . 771 76 76 VAL H H 8.363 . . 772 76 76 VAL HA H 4.641 . . 773 76 76 VAL HB H 2.414 . . 774 76 76 VAL HG1 H 1.082 . . 775 76 76 VAL HG2 H 1.271 . . 776 76 76 VAL C C 181.215 . . 777 76 76 VAL CA C 61.110 . . 778 76 76 VAL CB C 35.070 . . 779 76 76 VAL CG1 C 20.750 . . 780 76 76 VAL CG2 C 20.330 . . 781 76 76 VAL N N 128.036 . . 782 77 77 ILE H H 8.507 . . 783 77 77 ILE HA H 4.476 . . 784 77 77 ILE HB H 1.448 . . 785 77 77 ILE HG12 H 0.736 . . 786 77 77 ILE HG13 H 0.514 . . 787 77 77 ILE HG2 H -1.080 . . 788 77 77 ILE HD1 H 0.308 . . 789 77 77 ILE C C 177.273 . . 790 77 77 ILE CA C 55.630 . . 791 77 77 ILE CB C 37.531 . . 792 77 77 ILE CG1 C 25.071 . . 793 77 77 ILE CG2 C 13.864 . . 794 77 77 ILE CD1 C 10.207 . . 795 77 77 ILE N N 125.838 . . 796 78 78 SER H H 8.821 . . 797 78 78 SER HA H 5.196 . . 798 78 78 SER HB2 H 3.821 . . 799 78 78 SER HB3 H 3.759 . . 800 78 78 SER C C 178.556 . . 801 78 78 SER CA C 56.170 . . 802 78 78 SER CB C 64.430 . . 803 78 78 SER N N 120.285 . . 804 79 79 LEU H H 8.831 . . 805 79 79 LEU HA H 5.058 . . 806 79 79 LEU HB2 H 2.033 . . 807 79 79 LEU HB3 H 1.250 . . 808 79 79 LEU HG H 0.963 . . 809 79 79 LEU HD1 H 0.731 . . 810 79 79 LEU HD2 H 1.670 . . 811 79 79 LEU C C 177.746 . . 812 79 79 LEU CA C 54.920 . . 813 79 79 LEU CB C 43.433 . . 814 79 79 LEU CG C 28.172 . . 815 79 79 LEU CD1 C 27.805 . . 816 79 79 LEU CD2 C 28.063 . . 817 79 79 LEU N N 123.060 . . 818 80 80 CYS H H 7.885 . . 819 80 80 CYS HA H 5.044 . . 820 80 80 CYS HB2 H 3.871 . . 821 80 80 CYS C C 178.392 . . 822 80 80 CYS CA C 54.790 . . 823 80 80 CYS CB C 43.288 . . 824 80 80 CYS N N 110.579 . . 825 81 81 GLY H H 9.646 . . 826 81 81 GLY HA2 H 3.862 . . 827 81 81 GLY HA3 H 4.102 . . 828 81 81 GLY C C 177.596 . . 829 81 81 GLY CA C 48.200 . . 830 81 81 GLY N N 114.909 . . 831 82 82 CYS H H 8.031 . . 832 82 82 CYS C C 178.979 . . 833 82 82 CYS CA C 55.903 . . 834 82 82 CYS N N 112.575 . . 835 83 83 GLY H H 8.904 . . 836 83 83 GLY HA2 H 4.005 . . 837 83 83 GLY HA3 H 3.667 . . 838 83 83 GLY C C 178.399 . . 839 83 83 GLY CA C 47.696 . . 840 83 83 GLY N N 112.197 . . 841 84 84 VAL H H 7.902 . . 842 84 84 VAL HA H 4.082 . . 843 84 84 VAL HB H 2.177 . . 844 84 84 VAL HG1 H 0.912 . . 845 84 84 VAL HG2 H 0.919 . . 846 84 84 VAL C C 177.893 . . 847 84 84 VAL CA C 63.011 . . 848 84 84 VAL CB C 31.630 . . 849 84 84 VAL CG1 C 19.948 . . 850 84 84 VAL CG2 C 20.703 . . 851 84 84 VAL N N 115.838 . . 852 85 85 ASN H H 7.888 . . 853 85 85 ASN HA H 4.786 . . 854 85 85 ASN HB2 H 2.534 . . 855 85 85 ASN HB3 H 3.001 . . 856 85 85 ASN HD21 H 6.907 . . 857 85 85 ASN HD22 H 7.505 . . 858 85 85 ASN C C 178.945 . . 859 85 85 ASN CA C 53.590 . . 860 85 85 ASN CB C 40.190 . . 861 85 85 ASN N N 117.802 . . 862 85 85 ASN ND2 N 111.168 . . 863 86 86 LEU H H 7.434 . . 864 86 86 LEU HA H 4.393 . . 865 86 86 LEU HB2 H 1.574 . . 866 86 86 LEU HB3 H 1.296 . . 867 86 86 LEU HG H 1.716 . . 868 86 86 LEU HD1 H 0.724 . . 869 86 86 LEU HD2 H 0.603 . . 870 86 86 LEU CA C 53.120 . . 871 86 86 LEU CB C 40.808 . . 872 86 86 LEU CG C 27.015 . . 873 86 86 LEU CD1 C 25.706 . . 874 86 86 LEU CD2 C 23.948 . . 875 86 86 LEU N N 120.437 . . 876 87 87 PRO HA H 4.791 . . 877 87 87 PRO HB2 H 2.766 . . 878 87 87 PRO HB3 H 2.149 . . 879 87 87 PRO HG2 H 2.352 . . 880 87 87 PRO HG3 H 2.285 . . 881 87 87 PRO HD2 H 3.968 . . 882 87 87 PRO HD3 H 3.463 . . 883 87 87 PRO CA C 61.788 . . 884 87 87 PRO CB C 31.024 . . 885 87 87 PRO CG C 28.232 . . 886 87 87 PRO CD C 50.120 . . 887 88 88 PRO HA H 4.170 . . 888 88 88 PRO HB2 H 2.291 . . 889 88 88 PRO HB3 H 1.926 . . 890 88 88 PRO HG2 H 2.060 . . 891 88 88 PRO HG3 H 2.060 . . 892 88 88 PRO HD2 H 3.813 . . 893 88 88 PRO HD3 H 3.813 . . 894 88 88 PRO C C 175.019 . . 895 88 88 PRO CA C 64.900 . . 896 88 88 PRO CB C 31.920 . . 897 88 88 PRO CG C 27.534 . . 898 88 88 PRO CD C 50.588 . . 899 89 89 GLU H H 9.761 . . 900 89 89 GLU HA H 3.920 . . 901 89 89 GLU HB2 H 1.757 . . 902 89 89 GLU HB3 H 1.572 . . 903 89 89 GLU HG2 H 2.001 . . 904 89 89 GLU HG3 H 2.095 . . 905 89 89 GLU C C 175.589 . . 906 89 89 GLU CA C 59.104 . . 907 89 89 GLU CB C 27.530 . . 908 89 89 GLU CG C 36.218 . . 909 89 89 GLU N N 118.191 . . 910 90 90 TRP H H 7.983 . . 911 90 90 TRP HA H 4.127 . . 912 90 90 TRP HB2 H 3.280 . . 913 90 90 TRP HB3 H 3.066 . . 914 90 90 TRP HD1 H 7.214 . . 915 90 90 TRP HE1 H 10.542 . . 916 90 90 TRP HZ2 H 7.338 . . 917 90 90 TRP C C 177.208 . . 918 90 90 TRP CA C 60.082 . . 919 90 90 TRP CB C 29.853 . . 920 90 90 TRP CD1 C 125.930 . . 921 90 90 TRP CZ2 C 115.598 . . 922 90 90 TRP N N 118.048 . . 923 90 90 TRP NE1 N 129.452 . . 924 91 91 VAL H H 7.083 . . 925 91 91 VAL HA H 4.206 . . 926 91 91 VAL HB H 1.641 . . 927 91 91 VAL HG1 H 0.682 . . 928 91 91 VAL HG2 H -0.003 . . 929 91 91 VAL C C 176.711 . . 930 91 91 VAL CA C 60.318 . . 931 91 91 VAL CB C 31.066 . . 932 91 91 VAL CG1 C 19.276 . . 933 91 91 VAL CG2 C 20.551 . . 934 91 91 VAL N N 108.433 . . 935 92 92 THR H H 6.987 . . 936 92 92 THR HA H 4.540 . . 937 92 92 THR HB H 4.508 . . 938 92 92 THR HG2 H 1.097 . . 939 92 92 THR C C 178.140 . . 940 92 92 THR CA C 60.847 . . 941 92 92 THR CB C 68.550 . . 942 92 92 THR CG2 C 21.447 . . 943 92 92 THR N N 110.010 . . 944 93 93 GLN H H 8.016 . . 945 93 93 GLN HA H 4.422 . . 946 93 93 GLN HB2 H 2.631 . . 947 93 93 GLN HB3 H 1.761 . . 948 93 93 GLN HG2 H 2.468 . . 949 93 93 GLN HG3 H 2.093 . . 950 93 93 GLN HE21 H 6.784 . . 951 93 93 GLN HE22 H 7.231 . . 952 93 93 GLN C C 178.550 . . 953 93 93 GLN CA C 53.827 . . 954 93 93 GLN CB C 26.309 . . 955 93 93 GLN CG C 32.997 . . 956 93 93 GLN N N 119.916 . . 957 93 93 GLN NE2 N 113.747 . . 958 94 94 GLU H H 8.267 . . 959 94 94 GLU HA H 3.906 . . 960 94 94 GLU HB2 H 2.460 . . 961 94 94 GLU HB3 H 2.237 . . 962 94 94 GLU HG2 H 2.412 . . 963 94 94 GLU HG3 H 2.206 . . 964 94 94 GLU C C 176.163 . . 965 94 94 GLU CA C 60.990 . . 966 94 94 GLU CB C 29.365 . . 967 94 94 GLU CG C 35.984 . . 968 94 94 GLU N N 121.948 . . 969 95 95 ILE H H 7.752 . . 970 95 95 ILE HA H 4.475 . . 971 95 95 ILE HB H 1.707 . . 972 95 95 ILE HG12 H 1.556 . . 973 95 95 ILE HG13 H 1.241 . . 974 95 95 ILE HG2 H 0.822 . . 975 95 95 ILE HD1 H 0.852 . . 976 95 95 ILE C C 178.029 . . 977 95 95 ILE CA C 60.305 . . 978 95 95 ILE CB C 42.110 . . 979 95 95 ILE CG1 C 28.058 . . 980 95 95 ILE CG2 C 17.458 . . 981 95 95 ILE CD1 C 12.945 . . 982 95 95 ILE N N 113.845 . . 983 96 96 PHE H H 8.375 . . 984 96 96 PHE HA H 5.888 . . 985 96 96 PHE HB2 H 3.544 . . 986 96 96 PHE HB3 H 2.703 . . 987 96 96 PHE HD2 H 7.190 . . 988 96 96 PHE HE2 H 7.108 . . 989 96 96 PHE C C 178.570 . . 990 96 96 PHE CA C 57.281 . . 991 96 96 PHE CB C 42.316 . . 992 96 96 PHE CD2 C 132.116 . . 993 96 96 PHE CE2 C 129.000 . . 994 96 96 PHE N N 128.978 . . 995 97 97 GLU H H 7.346 . . 996 97 97 GLU HA H 4.134 . . 997 97 97 GLU HB2 H 1.974 . . 998 97 97 GLU HB3 H 1.644 . . 999 97 97 GLU HG2 H 2.273 . . 1000 97 97 GLU HG3 H 1.989 . . 1001 97 97 GLU C C 181.527 . . 1002 97 97 GLU CA C 54.750 . . 1003 97 97 GLU CB C 34.750 . . 1004 97 97 GLU CG C 36.046 . . 1005 97 97 GLU N N 123.972 . . 1006 98 98 ASP H H 8.351 . . 1007 98 98 ASP HA H 5.219 . . 1008 98 98 ASP HB2 H 2.953 . . 1009 98 98 ASP HB3 H 2.387 . . 1010 98 98 ASP C C 177.616 . . 1011 98 98 ASP CA C 52.020 . . 1012 98 98 ASP CB C 43.370 . . 1013 98 98 ASP N N 119.719 . . 1014 99 99 TRP H H 9.106 . . 1015 99 99 TRP HA H 4.966 . . 1016 99 99 TRP HB2 H 3.268 . . 1017 99 99 TRP HB3 H 2.945 . . 1018 99 99 TRP HD1 H 6.883 . . 1019 99 99 TRP HE1 H 11.440 . . 1020 99 99 TRP HZ2 H 7.361 . . 1021 99 99 TRP HH2 H 6.879 . . 1022 99 99 TRP C C 178.020 . . 1023 99 99 TRP CA C 54.160 . . 1024 99 99 TRP CB C 30.220 . . 1025 99 99 TRP CD1 C 124.699 . . 1026 99 99 TRP CZ2 C 115.560 . . 1027 99 99 TRP CH2 C 123.085 . . 1028 99 99 TRP N N 127.007 . . 1029 99 99 TRP NE1 N 132.359 . . 1030 100 100 GLN H H 8.789 . . 1031 100 100 GLN HA H 3.880 . . 1032 100 100 GLN HB2 H 2.080 . . 1033 100 100 GLN HB3 H 1.944 . . 1034 100 100 GLN HG2 H 2.528 . . 1035 100 100 GLN HG3 H 2.240 . . 1036 100 100 GLN HE21 H 7.558 . . 1037 100 100 GLN HE22 H 6.800 . . 1038 100 100 GLN C C 179.297 . . 1039 100 100 GLN CA C 56.514 . . 1040 100 100 GLN CB C 27.657 . . 1041 100 100 GLN CG C 33.940 . . 1042 100 100 GLN N N 120.881 . . 1043 100 100 GLN NE2 N 111.872 . . 1044 101 101 LEU H H 7.421 . . 1045 101 101 LEU HA H 4.616 . . 1046 101 101 LEU HB2 H 1.447 . . 1047 101 101 LEU HB3 H 1.709 . . 1048 101 101 LEU HG H 1.023 . . 1049 101 101 LEU HD1 H 0.879 . . 1050 101 101 LEU HD2 H 0.883 . . 1051 101 101 LEU C C 176.761 . . 1052 101 101 LEU CA C 53.176 . . 1053 101 101 LEU CB C 44.043 . . 1054 101 101 LEU CG C 28.311 . . 1055 101 101 LEU CD1 C 23.642 . . 1056 101 101 LEU CD2 C 23.546 . . 1057 101 101 LEU N N 122.719 . . 1058 102 102 GLU H H 8.958 . . 1059 102 102 GLU HA H 3.905 . . 1060 102 102 GLU HB2 H 1.802 . . 1061 102 102 GLU HB3 H 1.653 . . 1062 102 102 GLU HG2 H 2.030 . . 1063 102 102 GLU HG3 H 2.030 . . 1064 102 102 GLU C C 179.694 . . 1065 102 102 GLU CA C 56.405 . . 1066 102 102 GLU CB C 30.190 . . 1067 102 102 GLU CG C 36.046 . . 1068 102 102 GLU N N 125.250 . . 1069 103 103 ASP H H 8.276 . . 1070 103 103 ASP HA H 4.326 . . 1071 103 103 ASP HB2 H 2.996 . . 1072 103 103 ASP HB3 H 2.574 . . 1073 103 103 ASP CA C 50.591 . . 1074 103 103 ASP CB C 41.405 . . 1075 103 103 ASP N N 121.014 . . 1076 104 104 PRO HA H 3.885 . . 1077 104 104 PRO HB2 H 0.936 . . 1078 104 104 PRO HB3 H 0.221 . . 1079 104 104 PRO HG2 H 1.304 . . 1080 104 104 PRO HG3 H 1.046 . . 1081 104 104 PRO HD2 H 4.138 . . 1082 104 104 PRO HD3 H 4.031 . . 1083 104 104 PRO C C 179.598 . . 1084 104 104 PRO CA C 62.765 . . 1085 104 104 PRO CB C 30.628 . . 1086 104 104 PRO CG C 26.513 . . 1087 104 104 PRO CD C 49.244 . . 1088 105 105 ASP H H 7.687 . . 1089 105 105 ASP HA H 4.172 . . 1090 105 105 ASP HB2 H 2.796 . . 1091 105 105 ASP HB3 H 2.519 . . 1092 105 105 ASP C C 175.806 . . 1093 105 105 ASP CA C 57.210 . . 1094 105 105 ASP CB C 41.880 . . 1095 105 105 ASP N N 120.535 . . 1096 106 106 GLY H H 8.969 . . 1097 106 106 GLY HA2 H 4.181 . . 1098 106 106 GLY HA3 H 3.878 . . 1099 106 106 GLY C C 178.880 . . 1100 106 106 GLY CA C 45.773 . . 1101 106 106 GLY N N 114.214 . . 1102 107 107 GLN H H 8.289 . . 1103 107 107 GLN HA H 4.705 . . 1104 107 107 GLN HB2 H 2.327 . . 1105 107 107 GLN HB3 H 2.038 . . 1106 107 107 GLN HG2 H 2.267 . . 1107 107 107 GLN HG3 H 2.056 . . 1108 107 107 GLN HE21 H 7.130 . . 1109 107 107 GLN HE22 H 7.437 . . 1110 107 107 GLN C C 178.653 . . 1111 107 107 GLN CA C 54.340 . . 1112 107 107 GLN CB C 29.590 . . 1113 107 107 GLN CG C 34.133 . . 1114 107 107 GLN N N 118.441 . . 1115 107 107 GLN NE2 N 114.450 . . 1116 108 108 SER H H 8.276 . . 1117 108 108 SER HA H 4.495 . . 1118 108 108 SER HB2 H 4.115 . . 1119 108 108 SER HB3 H 4.450 . . 1120 108 108 SER C C 177.339 . . 1121 108 108 SER CA C 57.775 . . 1122 108 108 SER CB C 65.300 . . 1123 108 108 SER N N 114.217 . . 1124 109 109 LEU H H 8.713 . . 1125 109 109 LEU HA H 4.145 . . 1126 109 109 LEU HB2 H 1.818 . . 1127 109 109 LEU HB3 H 1.496 . . 1128 109 109 LEU HG H 1.805 . . 1129 109 109 LEU HD1 H 0.918 . . 1130 109 109 LEU HD2 H 0.810 . . 1131 109 109 LEU C C 174.833 . . 1132 109 109 LEU CA C 58.515 . . 1133 109 109 LEU CB C 41.480 . . 1134 109 109 LEU CG C 27.166 . . 1135 109 109 LEU CD1 C 25.367 . . 1136 109 109 LEU CD2 C 23.400 . . 1137 109 109 LEU N N 120.724 . . 1138 110 110 GLU H H 8.336 . . 1139 110 110 GLU HA H 4.074 . . 1140 110 110 GLU HB2 H 2.003 . . 1141 110 110 GLU HB3 H 2.073 . . 1142 110 110 GLU HG2 H 2.372 . . 1143 110 110 GLU HG3 H 2.311 . . 1144 110 110 GLU C C 173.974 . . 1145 110 110 GLU CA C 60.038 . . 1146 110 110 GLU CB C 29.087 . . 1147 110 110 GLU CG C 36.687 . . 1148 110 110 GLU N N 116.800 . . 1149 111 111 VAL H H 7.701 . . 1150 111 111 VAL HA H 3.711 . . 1151 111 111 VAL HB H 2.226 . . 1152 111 111 VAL HG1 H 1.058 . . 1153 111 111 VAL HG2 H 0.664 . . 1154 111 111 VAL C C 175.167 . . 1155 111 111 VAL CA C 66.619 . . 1156 111 111 VAL CB C 31.030 . . 1157 111 111 VAL CG1 C 22.633 . . 1158 111 111 VAL CG2 C 20.293 . . 1159 111 111 VAL N N 122.253 . . 1160 112 112 PHE H H 7.994 . . 1161 112 112 PHE HA H 3.683 . . 1162 112 112 PHE HB2 H 3.289 . . 1163 112 112 PHE HB3 H 2.873 . . 1164 112 112 PHE HD1 H 6.990 . . 1165 112 112 PHE HE1 H 6.986 . . 1166 112 112 PHE HZ H 7.818 . . 1167 112 112 PHE C C 174.699 . . 1168 112 112 PHE CA C 63.760 . . 1169 112 112 PHE CB C 40.080 . . 1170 112 112 PHE CD1 C 130.821 . . 1171 112 112 PHE CE1 C 132.293 . . 1172 112 112 PHE CZ C 139.132 . . 1173 112 112 PHE N N 119.862 . . 1174 113 113 ARG H H 8.705 . . 1175 113 113 ARG HA H 3.810 . . 1176 113 113 ARG HB2 H 1.959 . . 1177 113 113 ARG HB3 H 1.836 . . 1178 113 113 ARG HG2 H 1.952 . . 1179 113 113 ARG HG3 H 1.524 . . 1180 113 113 ARG HD2 H 3.194 . . 1181 113 113 ARG HD3 H 3.219 . . 1182 113 113 ARG HE H 8.850 . . 1183 113 113 ARG C C 174.111 . . 1184 113 113 ARG CA C 61.200 . . 1185 113 113 ARG CB C 30.027 . . 1186 113 113 ARG CG C 31.140 . . 1187 113 113 ARG CD C 43.276 . . 1188 113 113 ARG N N 117.860 . . 1189 113 113 ARG NE N 87.029 . . 1190 114 114 THR H H 8.419 . . 1191 114 114 THR HA H 3.946 . . 1192 114 114 THR HB H 4.420 . . 1193 114 114 THR HG2 H 1.196 . . 1194 114 114 THR C C 176.300 . . 1195 114 114 THR CA C 66.950 . . 1196 114 114 THR CB C 68.485 . . 1197 114 114 THR CG2 C 21.337 . . 1198 114 114 THR N N 121.025 . . 1199 115 115 VAL H H 8.600 . . 1200 115 115 VAL HA H 3.855 . . 1201 115 115 VAL HB H 1.954 . . 1202 115 115 VAL HG1 H 0.978 . . 1203 115 115 VAL HG2 H 0.936 . . 1204 115 115 VAL C C 176.300 . . 1205 115 115 VAL CA C 66.716 . . 1206 115 115 VAL CB C 31.912 . . 1207 115 115 VAL CG1 C 23.413 . . 1208 115 115 VAL CG2 C 21.758 . . 1209 115 115 VAL N N 123.822 . . 1210 116 116 ARG H H 8.610 . . 1211 116 116 ARG HA H 4.079 . . 1212 116 116 ARG HB2 H 2.482 . . 1213 116 116 ARG HB3 H 1.860 . . 1214 116 116 ARG HG2 H 2.182 . . 1215 116 116 ARG HG3 H 1.849 . . 1216 116 116 ARG HD2 H 3.470 . . 1217 116 116 ARG HD3 H 2.767 . . 1218 116 116 ARG C C 175.634 . . 1219 116 116 ARG CA C 60.628 . . 1220 116 116 ARG CB C 30.870 . . 1221 116 116 ARG CG C 26.658 . . 1222 116 116 ARG CD C 44.420 . . 1223 116 116 ARG N N 120.811 . . 1224 117 117 GLY H H 7.950 . . 1225 117 117 GLY HA2 H 4.015 . . 1226 117 117 GLY HA3 H 3.844 . . 1227 117 117 GLY C C 176.767 . . 1228 117 117 GLY CA C 47.390 . . 1229 117 117 GLY N N 104.485 . . 1230 118 118 GLN H H 7.923 . . 1231 118 118 GLN HA H 4.093 . . 1232 118 118 GLN HB2 H 2.443 . . 1233 118 118 GLN HB3 H 1.889 . . 1234 118 118 GLN HG2 H 2.553 . . 1235 118 118 GLN HG3 H 2.340 . . 1236 118 118 GLN HE21 H 7.208 . . 1237 118 118 GLN HE22 H 6.520 . . 1238 118 118 GLN C C 174.254 . . 1239 118 118 GLN CA C 58.570 . . 1240 118 118 GLN CB C 28.970 . . 1241 118 118 GLN CG C 33.962 . . 1242 118 118 GLN N N 122.539 . . 1243 118 118 GLN NE2 N 108.590 . . 1244 119 119 VAL H H 8.821 . . 1245 119 119 VAL HA H 3.388 . . 1246 119 119 VAL HB H 2.438 . . 1247 119 119 VAL HG1 H 1.019 . . 1248 119 119 VAL HG2 H 1.157 . . 1249 119 119 VAL C C 176.968 . . 1250 119 119 VAL CA C 67.198 . . 1251 119 119 VAL CB C 31.393 . . 1252 119 119 VAL CG1 C 22.759 . . 1253 119 119 VAL CG2 C 24.485 . . 1254 119 119 VAL N N 119.415 . . 1255 120 120 LYS H H 8.163 . . 1256 120 120 LYS HA H 2.571 . . 1257 120 120 LYS HB2 H 1.448 . . 1258 120 120 LYS HB3 H 0.828 . . 1259 120 120 LYS HG2 H 0.817 . . 1260 120 120 LYS HG3 H 0.265 . . 1261 120 120 LYS HD2 H 1.421 . . 1262 120 120 LYS HD3 H 1.372 . . 1263 120 120 LYS HE2 H 2.903 . . 1264 120 120 LYS HE3 H 2.781 . . 1265 120 120 LYS C C 176.341 . . 1266 120 120 LYS CA C 61.162 . . 1267 120 120 LYS CB C 32.022 . . 1268 120 120 LYS CG C 24.870 . . 1269 120 120 LYS CD C 29.446 . . 1270 120 120 LYS CE C 42.089 . . 1271 120 120 LYS N N 120.276 . . 1272 121 121 GLU H H 7.390 . . 1273 121 121 GLU HA H 3.974 . . 1274 121 121 GLU HB2 H 1.887 . . 1275 121 121 GLU HB3 H 1.965 . . 1276 121 121 GLU HG2 H 2.248 . . 1277 121 121 GLU HG3 H 2.107 . . 1278 121 121 GLU C C 174.609 . . 1279 121 121 GLU CA C 58.925 . . 1280 121 121 GLU CB C 29.645 . . 1281 121 121 GLU CG C 35.940 . . 1282 121 121 GLU N N 115.854 . . 1283 122 122 ARG H H 7.410 . . 1284 122 122 ARG HA H 3.561 . . 1285 122 122 ARG HB2 H 1.257 . . 1286 122 122 ARG HB3 H 1.052 . . 1287 122 122 ARG HG2 H 0.823 . . 1288 122 122 ARG HD2 H 2.117 . . 1289 122 122 ARG HD3 H 2.256 . . 1290 122 122 ARG HE H 10.277 . . 1291 122 122 ARG C C 174.015 . . 1292 122 122 ARG CA C 58.740 . . 1293 122 122 ARG CB C 27.484 . . 1294 122 122 ARG CG C 27.424 . . 1295 122 122 ARG CD C 42.638 . . 1296 122 122 ARG N N 117.863 . . 1297 122 122 ARG NE N 83.924 . . 1298 123 123 VAL H H 8.820 . . 1299 123 123 VAL HA H 3.818 . . 1300 123 123 VAL HB H 2.199 . . 1301 123 123 VAL HG1 H 1.315 . . 1302 123 123 VAL HG2 H 0.945 . . 1303 123 123 VAL C C 176.341 . . 1304 123 123 VAL CA C 67.824 . . 1305 123 123 VAL CB C 31.000 . . 1306 123 123 VAL CG1 C 24.948 . . 1307 123 123 VAL CG2 C 22.135 . . 1308 123 123 VAL N N 121.930 . . 1309 124 124 GLU H H 8.626 . . 1310 124 124 GLU HA H 3.761 . . 1311 124 124 GLU HB2 H 2.158 . . 1312 124 124 GLU HB3 H 1.892 . . 1313 124 124 GLU HG2 H 2.336 . . 1314 124 124 GLU HG3 H 2.130 . . 1315 124 124 GLU C C 173.956 . . 1316 124 124 GLU CA C 60.690 . . 1317 124 124 GLU CB C 29.415 . . 1318 124 124 GLU CG C 37.593 . . 1319 124 124 GLU N N 120.522 . . 1320 125 125 ASN H H 7.757 . . 1321 125 125 ASN HA H 4.408 . . 1322 125 125 ASN HB2 H 2.788 . . 1323 125 125 ASN HB3 H 2.702 . . 1324 125 125 ASN HD21 H 6.999 . . 1325 125 125 ASN HD22 H 7.654 . . 1326 125 125 ASN C C 176.754 . . 1327 125 125 ASN CA C 56.158 . . 1328 125 125 ASN CB C 38.615 . . 1329 125 125 ASN N N 117.729 . . 1330 125 125 ASN ND2 N 112.809 . . 1331 126 126 LEU H H 8.169 . . 1332 126 126 LEU HA H 4.250 . . 1333 126 126 LEU HB2 H 2.434 . . 1334 126 126 LEU HB3 H 2.047 . . 1335 126 126 LEU HG H 1.047 . . 1336 126 126 LEU HD1 H 1.041 . . 1337 126 126 LEU HD2 H 1.570 . . 1338 126 126 LEU C C 175.227 . . 1339 126 126 LEU CA C 58.211 . . 1340 126 126 LEU CB C 42.350 . . 1341 126 126 LEU CG C 26.728 . . 1342 126 126 LEU CD1 C 23.031 . . 1343 126 126 LEU CD2 C 27.385 . . 1344 126 126 LEU N N 121.961 . . 1345 127 127 ILE H H 8.565 . . 1346 127 127 ILE HA H 3.464 . . 1347 127 127 ILE HB H 1.918 . . 1348 127 127 ILE HG12 H 1.829 . . 1349 127 127 ILE HG13 H 1.109 . . 1350 127 127 ILE HG2 H 0.773 . . 1351 127 127 ILE HD1 H 0.880 . . 1352 127 127 ILE C C 175.457 . . 1353 127 127 ILE CA C 65.185 . . 1354 127 127 ILE CB C 37.400 . . 1355 127 127 ILE CG1 C 30.357 . . 1356 127 127 ILE CG2 C 14.139 . . 1357 127 127 ILE CD1 C 17.482 . . 1358 127 127 ILE N N 117.483 . . 1359 128 128 ALA H H 7.544 . . 1360 128 128 ALA HA H 4.185 . . 1361 128 128 ALA HB H 1.523 . . 1362 128 128 ALA C C 174.542 . . 1363 128 128 ALA CA C 54.610 . . 1364 128 128 ALA CB C 18.150 . . 1365 128 128 ALA N N 120.656 . . 1366 129 129 LYS H H 7.665 . . 1367 129 129 LYS HA H 4.355 . . 1368 129 129 LYS HB2 H 2.061 . . 1369 129 129 LYS HB3 H 2.013 . . 1370 129 129 LYS HG2 H 1.585 . . 1371 129 129 LYS HG3 H 1.585 . . 1372 129 129 LYS HD2 H 1.709 . . 1373 129 129 LYS HD3 H 1.709 . . 1374 129 129 LYS HE2 H 2.925 . . 1375 129 129 LYS HE3 H 2.984 . . 1376 129 129 LYS C C 175.355 . . 1377 129 129 LYS CA C 57.951 . . 1378 129 129 LYS CB C 33.317 . . 1379 129 129 LYS CG C 24.911 . . 1380 129 129 LYS CD C 29.606 . . 1381 129 129 LYS CE C 42.059 . . 1382 129 129 LYS N N 116.225 . . 1383 130 130 ILE H H 7.590 . . 1384 130 130 ILE HA H 4.545 . . 1385 130 130 ILE HB H 2.096 . . 1386 130 130 ILE HG12 H 1.503 . . 1387 130 130 ILE HG13 H 1.328 . . 1388 130 130 ILE HG2 H 0.875 . . 1389 130 130 ILE HD1 H 0.685 . . 1390 130 130 ILE C C 178.813 . . 1391 130 130 ILE CA C 61.230 . . 1392 130 130 ILE CB C 38.780 . . 1393 130 130 ILE CG1 C 25.288 . . 1394 130 130 ILE CG2 C 17.246 . . 1395 130 130 ILE CD1 C 14.653 . . 1396 130 130 ILE N N 112.428 . . 1397 131 131 SER H H 7.558 . . 1398 131 131 SER HA H 4.328 . . 1399 131 131 SER HB2 H 3.928 . . 1400 131 131 SER HB3 H 3.811 . . 1401 131 131 SER CA C 60.780 . . 1402 131 131 SER CB C 65.470 . . 1403 131 131 SER N N 123.805 . . stop_ save_