data_50509 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and sidechain assignments of RRM1 domain of human RBM6 ; _BMRB_accession_number 50509 _BMRB_flat_file_name bmr50509.str _Entry_type original _Submission_date 2020-10-12 _Accession_date 2020-10-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details '1H, 13C, 15N chemical shift assignments for RRM1 domain of human RBM6' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Aggarwal Priyanka . . 2 Bhavesh Neel Sarovar . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 376 "13C chemical shifts" 311 "15N chemical shifts" 73 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-10-16 original BMRB . stop_ _Original_release_date 2020-10-12 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C, 15N chemical shift assignments for RRM1 domain of human RBM6 ; _Citation_status 'in preparation' _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Aggarwal Priyanka . . 2 Bhavesh Neel Sarovar . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'RRM1 domain of human RBM6' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RRM1 domain of human RBM6' $entity_1 stop_ _System_molecular_weight 9710 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 87 _Mol_residue_sequence ; GAMGHMSRLIRLSGVPEDAT KEEILNAFRTPDGMPVKNLQ LKEYNTGYDYGYVCVEFSLL EDAIGCMEANQGTLMIQDKE VTLEYVS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 GLY 5 HIS 6 MET 7 SER 8 ARG 9 LEU 10 ILE 11 ARG 12 LEU 13 SER 14 GLY 15 VAL 16 PRO 17 GLU 18 ASP 19 ALA 20 THR 21 LYS 22 GLU 23 GLU 24 ILE 25 LEU 26 ASN 27 ALA 28 PHE 29 ARG 30 THR 31 PRO 32 ASP 33 GLY 34 MET 35 PRO 36 VAL 37 LYS 38 ASN 39 LEU 40 GLN 41 LEU 42 LYS 43 GLU 44 TYR 45 ASN 46 THR 47 GLY 48 TYR 49 ASP 50 TYR 51 GLY 52 TYR 53 VAL 54 CYS 55 VAL 56 GLU 57 PHE 58 SER 59 LEU 60 LEU 61 GLU 62 ASP 63 ALA 64 ILE 65 GLY 66 CYS 67 MET 68 GLU 69 ALA 70 ASN 71 GLN 72 GLY 73 THR 74 LEU 75 MET 76 ILE 77 GLN 78 ASP 79 LYS 80 GLU 81 VAL 82 THR 83 LEU 84 GLU 85 TYR 86 VAL 87 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value UNP P78332 'RNA-binding protein 6/RBM6' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli BL21 DE3 plasmid pETM11 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '50 mM Sodium Phosphate pH 7.5 and 50 mM NaCl' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-99% 13C; U-99% 15N]' 'Sodium Phosphate' 50 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version 3.5pl6 loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CARA _Version . loop_ _Task 'data analysis' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name TOPSPIN _Version 4.0.9 loop_ _Task 'data processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 500.15 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-13C_HSQC_aliphatic_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCACONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCACONH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7.5 0.01 pH pressure 1 . atm temperature 303 0.01 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_2 stop_ loop_ _Experiment_label '2D 1H-13C HSQC aliphatic' '2D 1H-15N HSQC' '3D CBCACONH' '3D HN(CA)CO' '3D HNCO' '3D HNCA' '3D HNCACB' '3D H(CCO)NH' '3D C(CO)NH' '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'RRM1 domain of human RBM6' _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 3 3 MET HA H 4.505 0.020 1 2 3 3 MET HB2 H 3.012 0.020 1 3 3 3 MET HB3 H 3.012 0.020 1 4 3 3 MET HG2 H 2.858 0.020 1 5 3 3 MET HG3 H 2.858 0.020 1 6 3 3 MET C C 175.984 0.3 1 7 3 3 MET CA C 57.995 0.3 1 8 3 3 MET CB C 38.290 0.3 1 9 3 3 MET CG C 32.038 0.3 1 10 4 4 GLY H H 8.309 0.020 1 11 4 4 GLY C C 173.389 0.3 1 12 4 4 GLY CA C 45.359 0.3 1 13 4 4 GLY N N 109.548 0.3 1 14 5 5 HIS H H 7.977 0.020 1 15 5 5 HIS HA H 5.201 0.020 1 16 5 5 HIS HB2 H 3.025 0.020 1 17 5 5 HIS HB3 H 3.025 0.020 1 18 5 5 HIS C C 174.414 0.3 1 19 5 5 HIS CA C 56.372 0.3 1 20 5 5 HIS CB C 40.040 0.3 1 21 5 5 HIS N N 118.096 0.3 1 22 6 6 MET H H 8.570 0.020 1 23 6 6 MET HA H 3.019 0.020 1 24 6 6 MET HB2 H 1.465 0.020 1 25 6 6 MET HB3 H 1.465 0.020 1 26 6 6 MET HG2 H 2.227 0.020 1 27 6 6 MET HG3 H 2.227 0.020 1 28 6 6 MET C C 174.299 0.3 1 29 6 6 MET CA C 56.548 0.3 1 30 6 6 MET CB C 32.646 0.3 1 31 6 6 MET CG C 31.788 0.3 1 32 6 6 MET N N 120.131 0.3 1 33 7 7 SER H H 6.503 0.020 1 34 7 7 SER HA H 4.466 0.020 1 35 7 7 SER HB2 H 3.945 0.020 2 36 7 7 SER HB3 H 3.723 0.020 2 37 7 7 SER C C 171.713 0.3 1 38 7 7 SER CA C 55.858 0.3 1 39 7 7 SER CB C 65.521 0.3 1 40 7 7 SER N N 115.638 0.3 1 41 8 8 ARG H H 8.135 0.020 1 42 8 8 ARG HA H 4.183 0.020 1 43 8 8 ARG HB2 H 1.836 0.020 1 44 8 8 ARG HB3 H 1.836 0.020 1 45 8 8 ARG HG2 H 1.229 0.020 1 46 8 8 ARG HG3 H 1.229 0.020 1 47 8 8 ARG HD2 H 3.243 0.020 1 48 8 8 ARG HD3 H 3.243 0.020 1 49 8 8 ARG C C 174.165 0.3 1 50 8 8 ARG CA C 57.267 0.3 1 51 8 8 ARG CB C 30.165 0.3 1 52 8 8 ARG CG C 24.226 0.3 1 53 8 8 ARG CD C 43.115 0.3 1 54 8 8 ARG N N 116.246 0.3 1 55 9 9 LEU H H 8.447 0.020 1 56 9 9 LEU HA H 5.252 0.020 1 57 9 9 LEU HB2 H 1.849 0.020 1 58 9 9 LEU HB3 H 1.849 0.020 1 59 9 9 LEU HG H 1.583 0.020 1 60 9 9 LEU HD1 H 0.875 0.020 1 61 9 9 LEU HD2 H 0.875 0.020 1 62 9 9 LEU C C 174.385 0.3 1 63 9 9 LEU CA C 53.807 0.3 1 64 9 9 LEU CB C 43.960 0.3 1 65 9 9 LEU CG C 27.251 0.3 1 66 9 9 LEU CD1 C 25.038 0.3 1 67 9 9 LEU CD2 C 24.447 0.3 1 68 9 9 LEU N N 121.486 0.3 1 69 10 10 ILE H H 9.023 0.020 1 70 10 10 ILE HA H 4.930 0.020 1 71 10 10 ILE HB H 1.773 0.020 1 72 10 10 ILE HG12 H 1.659 0.020 1 73 10 10 ILE HG13 H 1.659 0.020 1 74 10 10 ILE HG2 H 1.052 0.020 1 75 10 10 ILE HD1 H 0.862 0.020 1 76 10 10 ILE C C 174.134 0.3 1 77 10 10 ILE CA C 58.934 0.3 1 78 10 10 ILE CB C 41.397 0.3 1 79 10 10 ILE CG1 C 28.235 0.3 1 80 10 10 ILE CG2 C 18.569 0.3 1 81 10 10 ILE CD1 C 13.348 0.3 1 82 10 10 ILE N N 124.383 0.3 1 83 11 11 ARG H H 9.383 0.020 1 84 11 11 ARG HA H 5.049 0.020 1 85 11 11 ARG HB2 H 1.537 0.020 1 86 11 11 ARG HB3 H 1.537 0.020 1 87 11 11 ARG HG2 H 1.415 0.020 1 88 11 11 ARG HG3 H 1.415 0.020 1 89 11 11 ARG HD2 H 2.595 0.020 1 90 11 11 ARG HD3 H 2.595 0.020 1 91 11 11 ARG C C 175.238 0.3 1 92 11 11 ARG CA C 54.672 0.3 1 93 11 11 ARG CB C 33.029 0.3 1 94 11 11 ARG CG C 26.808 0.3 1 95 11 11 ARG CD C 43.411 0.3 1 96 11 11 ARG N N 127.191 0.3 1 97 12 12 LEU H H 9.054 0.020 1 98 12 12 LEU HA H 5.252 0.020 1 99 12 12 LEU HB2 H 1.697 0.020 1 100 12 12 LEU HB3 H 1.697 0.020 1 101 12 12 LEU HG H 1.330 0.020 1 102 12 12 LEU HD1 H 0.945 0.020 2 103 12 12 LEU HD2 H 0.757 0.020 2 104 12 12 LEU C C 176.216 0.3 1 105 12 12 LEU CA C 54.672 0.3 1 106 12 12 LEU CB C 42.980 0.3 1 107 12 12 LEU CG C 29.022 0.3 1 108 12 12 LEU CD1 C 26.661 0.3 1 109 12 12 LEU CD2 C 25.185 0.3 1 110 12 12 LEU N N 128.059 0.3 1 111 13 13 SER H H 8.892 0.020 1 112 13 13 SER HA H 5.025 0.020 1 113 13 13 SER HB2 H 3.829 0.020 1 114 13 13 SER HB3 H 3.829 0.020 1 115 13 13 SER C C 173.500 0.3 1 116 13 13 SER CA C 57.460 0.3 1 117 13 13 SER CB C 64.277 0.3 1 118 13 13 SER N N 117.247 0.3 1 119 14 14 GLY H H 8.531 0.020 1 120 14 14 GLY HA2 H 4.376 0.020 1 121 14 14 GLY HA3 H 4.376 0.020 1 122 14 14 GLY C C 175.035 0.3 1 123 14 14 GLY CA C 44.930 0.3 1 124 14 14 GLY N N 113.036 0.3 1 125 15 15 VAL H H 8.249 0.020 1 126 15 15 VAL C C 174.584 0.3 1 127 15 15 VAL CA C 60.970 0.3 1 128 15 15 VAL CB C 32.222 0.3 1 129 15 15 VAL N N 121.511 0.3 1 130 16 16 PRO HA H 4.380 0.020 1 131 16 16 PRO HB2 H 1.934 0.020 1 132 16 16 PRO HB3 H 1.934 0.020 1 133 16 16 PRO HG2 H 1.623 0.020 1 134 16 16 PRO HG3 H 1.623 0.020 1 135 16 16 PRO HD2 H 2.393 0.020 1 136 16 16 PRO HD3 H 2.393 0.020 1 137 16 16 PRO C C 177.482 0.3 1 138 16 16 PRO CA C 63.082 0.3 1 139 16 16 PRO CB C 32.045 0.3 1 140 16 16 PRO CG C 27.768 0.3 1 141 16 16 PRO CD C 50.642 0.3 1 142 17 17 GLU H H 8.922 0.020 1 143 17 17 GLU HA H 3.955 0.020 1 144 17 17 GLU HB2 H 2.260 0.020 1 145 17 17 GLU HB3 H 2.260 0.020 1 146 17 17 GLU HG2 H 1.972 0.020 1 147 17 17 GLU HG3 H 1.972 0.020 1 148 17 17 GLU C C 176.325 0.3 1 149 17 17 GLU CA C 59.126 0.3 1 150 17 17 GLU CB C 29.185 0.3 1 151 17 17 GLU CG C 35.884 0.3 1 152 17 17 GLU N N 123.620 0.3 1 153 18 18 ASP H H 8.338 0.020 1 154 18 18 ASP HA H 4.608 0.020 1 155 18 18 ASP HB2 H 2.737 0.020 1 156 18 18 ASP HB3 H 2.737 0.020 1 157 18 18 ASP C C 176.292 0.3 1 158 18 18 ASP CA C 53.294 0.3 1 159 18 18 ASP CB C 39.843 0.3 1 160 18 18 ASP N N 114.599 0.3 1 161 19 19 ALA H H 7.394 0.020 1 162 19 19 ALA HA H 4.467 0.020 1 163 19 19 ALA HB H 1.179 0.020 1 164 19 19 ALA C C 177.815 0.3 1 165 19 19 ALA CA C 52.269 0.3 1 166 19 19 ALA CB C 18.404 0.3 1 167 19 19 ALA N N 122.524 0.3 1 168 20 20 THR H H 8.808 0.020 1 169 20 20 THR HA H 4.733 0.020 1 170 20 20 THR HB H 4.467 0.020 1 171 20 20 THR HG2 H 1.356 0.020 1 172 20 20 THR C C 174.819 0.3 1 173 20 20 THR CA C 60.087 0.3 1 174 20 20 THR CB C 71.514 0.3 1 175 20 20 THR CG2 C 21.791 0.3 1 176 20 20 THR N N 115.236 0.3 1 177 21 21 LYS H H 8.716 0.020 1 178 21 21 LYS HA H 3.713 0.020 1 179 21 21 LYS HB2 H 1.685 0.020 1 180 21 21 LYS HB3 H 1.685 0.020 1 181 21 21 LYS HG2 H 1.171 0.020 1 182 21 21 LYS HG3 H 1.171 0.020 1 183 21 21 LYS HD2 H 1.369 0.020 1 184 21 21 LYS HD3 H 1.369 0.020 1 185 21 21 LYS HE2 H 2.915 0.020 1 186 21 21 LYS HE3 H 2.915 0.020 1 187 21 21 LYS C C 177.582 0.3 1 188 21 21 LYS CA C 60.119 0.3 1 189 21 21 LYS CB C 31.823 0.3 1 190 21 21 LYS CG C 24.805 0.3 1 191 21 21 LYS CD C 29.402 0.3 1 192 21 21 LYS CE C 41.867 0.3 1 193 21 21 LYS N N 120.424 0.3 1 194 22 22 GLU H H 8.494 0.020 1 195 22 22 GLU HA H 3.901 0.020 1 196 22 22 GLU HB2 H 2.031 0.020 1 197 22 22 GLU HB3 H 2.031 0.020 1 198 22 22 GLU HG2 H 2.409 0.020 1 199 22 22 GLU HG3 H 2.409 0.020 1 200 22 22 GLU C C 178.481 0.3 1 201 22 22 GLU CA C 60.184 0.3 1 202 22 22 GLU CB C 28.619 0.3 1 203 22 22 GLU CG C 36.993 0.3 1 204 22 22 GLU N N 116.050 0.3 1 205 23 23 GLU H H 7.750 0.020 1 206 23 23 GLU HA H 3.999 0.020 1 207 23 23 GLU HB2 H 1.890 0.020 1 208 23 23 GLU HB3 H 1.890 0.020 1 209 23 23 GLU HG2 H 2.308 0.020 1 210 23 23 GLU HG3 H 2.308 0.020 1 211 23 23 GLU C C 178.793 0.3 1 212 23 23 GLU CA C 58.966 0.3 1 213 23 23 GLU CB C 29.788 0.3 1 214 23 23 GLU CG C 37.139 0.3 1 215 23 23 GLU N N 119.457 0.3 1 216 24 24 ILE H H 7.892 0.020 1 217 24 24 ILE HA H 3.531 0.020 1 218 24 24 ILE HB H 1.874 0.020 1 219 24 24 ILE HG12 H 0.951 0.020 1 220 24 24 ILE HG13 H 0.951 0.020 1 221 24 24 ILE HD1 H 0.752 0.020 1 222 24 24 ILE C C 176.993 0.3 1 223 24 24 ILE CA C 65.407 0.3 1 224 24 24 ILE CB C 37.929 0.3 1 225 24 24 ILE CG1 C 28.948 0.3 1 226 24 24 ILE CG2 C 17.437 0.3 1 227 24 24 ILE CD1 C 14.191 0.3 1 228 24 24 ILE N N 119.124 0.3 1 229 25 25 LEU H H 8.204 0.020 1 230 25 25 LEU HA H 4.093 0.020 1 231 25 25 LEU HB2 H 1.827 0.020 1 232 25 25 LEU HB3 H 1.827 0.020 1 233 25 25 LEU HG H 1.471 0.020 1 234 25 25 LEU HD1 H 0.824 0.020 2 235 25 25 LEU HD2 H 0.624 0.020 2 236 25 25 LEU C C 180.250 0.3 1 237 25 25 LEU CA C 57.908 0.3 1 238 25 25 LEU CB C 40.870 0.3 1 239 25 25 LEU CG C 26.487 0.3 1 240 25 25 LEU CD1 C 25.375 0.3 1 241 25 25 LEU CD2 C 22.542 0.3 1 242 25 25 LEU N N 115.604 0.3 1 243 26 26 ASN H H 8.262 0.020 1 244 26 26 ASN HA H 4.594 0.020 1 245 26 26 ASN HB2 H 2.912 0.020 2 246 26 26 ASN HB3 H 2.772 0.020 2 247 26 26 ASN C C 175.314 0.3 1 248 26 26 ASN CA C 54.383 0.3 1 249 26 26 ASN CB C 38.306 0.3 1 250 26 26 ASN N N 115.033 0.3 1 251 27 27 ALA H H 7.501 0.020 1 252 27 27 ALA HA H 4.213 0.020 1 253 27 27 ALA HB H 1.365 0.020 1 254 27 27 ALA C C 177.551 0.3 1 255 27 27 ALA CA C 53.102 0.3 1 256 27 27 ALA CB C 18.932 0.3 1 257 27 27 ALA N N 120.232 0.3 1 258 28 28 PHE H H 7.416 0.020 1 259 28 28 PHE HA H 4.131 0.020 1 260 28 28 PHE HB2 H 3.131 0.020 2 261 28 28 PHE HB3 H 3.011 0.020 2 262 28 28 PHE C C 174.553 0.3 1 263 28 28 PHE CA C 58.806 0.3 1 264 28 28 PHE CB C 39.211 0.3 1 265 28 28 PHE N N 116.851 0.3 1 266 29 29 ARG H H 8.339 0.020 1 267 29 29 ARG HA H 5.176 0.020 1 268 29 29 ARG HB2 H 1.604 0.020 1 269 29 29 ARG HB3 H 1.604 0.020 1 270 29 29 ARG HG2 H 1.375 0.020 1 271 29 29 ARG HG3 H 1.375 0.020 1 272 29 29 ARG HD2 H 3.076 0.020 1 273 29 29 ARG HD3 H 3.076 0.020 1 274 29 29 ARG C C 178.855 0.3 1 275 29 29 ARG CA C 53.999 0.3 1 276 29 29 ARG CB C 33.331 0.3 1 277 29 29 ARG CG C 26.735 0.3 1 278 29 29 ARG CD C 43.337 0.3 1 279 29 29 ARG N N 122.724 0.3 1 280 30 30 THR H H 9.046 0.020 1 281 30 30 THR C C 176.059 0.3 1 282 30 30 THR CA C 60.411 0.3 1 283 30 30 THR CB C 67.878 0.3 1 284 30 30 THR N N 112.824 0.3 1 285 31 31 PRO HA H 4.369 0.020 1 286 31 31 PRO HB2 H 2.459 0.020 1 287 31 31 PRO HB3 H 2.459 0.020 1 288 31 31 PRO HG2 H 2.169 0.020 2 289 31 31 PRO HG3 H 1.975 0.020 2 290 31 31 PRO HD2 H 3.858 0.020 1 291 31 31 PRO HD3 H 3.858 0.020 1 292 31 31 PRO C C 176.582 0.3 1 293 31 31 PRO CA C 65.477 0.3 1 294 31 31 PRO CB C 31.220 0.3 1 295 31 31 PRO CG C 27.758 0.3 1 296 31 31 PRO CD C 51.026 0.3 1 297 32 32 ASP H H 7.840 0.020 1 298 32 32 ASP HA H 4.547 0.020 1 299 32 32 ASP HB2 H 2.844 0.020 2 300 32 32 ASP HB3 H 2.722 0.020 2 301 32 32 ASP C C 176.478 0.3 1 302 32 32 ASP CA C 53.351 0.3 1 303 32 32 ASP CB C 39.713 0.3 1 304 32 32 ASP N N 113.042 0.3 1 305 33 33 GLY H H 8.558 0.020 1 306 33 33 GLY HA2 H 3.940 0.020 1 307 33 33 GLY HA3 H 3.940 0.020 1 308 33 33 GLY C C 174.227 0.3 1 309 33 33 GLY CA C 45.037 0.3 1 310 33 33 GLY N N 108.621 0.3 1 311 34 34 MET H H 7.816 0.020 1 312 34 34 MET C C 174.727 0.3 1 313 34 34 MET CA C 56.161 0.3 1 314 34 34 MET CB C 40.248 0.3 1 315 34 34 MET N N 117.751 0.3 1 316 35 35 PRO HA H 4.837 0.020 1 317 35 35 PRO HB2 H 2.450 0.020 2 318 35 35 PRO HB3 H 2.701 0.020 2 319 35 35 PRO HG2 H 2.122 0.020 2 320 35 35 PRO HG3 H 1.895 0.020 2 321 35 35 PRO HD2 H 3.966 0.020 2 322 35 35 PRO HD3 H 3.562 0.020 2 323 35 35 PRO C C 177.593 0.3 1 324 35 35 PRO CA C 63.055 0.3 1 325 35 35 PRO CB C 31.938 0.3 1 326 35 35 PRO CG C 27.665 0.3 1 327 35 35 PRO CD C 50.480 0.3 1 328 36 36 VAL H H 8.493 0.020 1 329 36 36 VAL C C 175.611 0.3 1 330 36 36 VAL CA C 62.939 0.3 1 331 36 36 VAL CB C 32.287 0.3 1 332 36 36 VAL N N 124.753 0.3 1 333 37 37 LYS H H 8.565 0.020 1 334 37 37 LYS HA H 5.105 0.020 1 335 37 37 LYS HB2 H 1.979 0.020 1 336 37 37 LYS HB3 H 1.979 0.020 1 337 37 37 LYS HG2 H 1.554 0.020 1 338 37 37 LYS HG3 H 1.554 0.020 1 339 37 37 LYS HD2 H 1.693 0.020 1 340 37 37 LYS HD3 H 1.693 0.020 1 341 37 37 LYS HE2 H 2.655 0.020 1 342 37 37 LYS HE3 H 2.655 0.020 1 343 37 37 LYS C C 176.570 0.3 1 344 37 37 LYS CA C 56.234 0.3 1 345 37 37 LYS CB C 33.353 0.3 1 346 37 37 LYS CG C 27.087 0.3 1 347 37 37 LYS CD C 36.525 0.3 1 348 37 37 LYS CE C 43.466 0.3 1 349 37 37 LYS N N 126.157 0.3 1 350 38 38 ASN H H 9.471 0.020 1 351 38 38 ASN C C 175.854 0.3 1 352 38 38 ASN CA C 54.605 0.3 1 353 38 38 ASN CB C 42.790 0.3 1 354 38 38 ASN N N 129.075 0.3 1 355 42 42 LYS HA H 5.190 0.020 1 356 42 42 LYS HG2 H 1.230 0.020 1 357 42 42 LYS HG3 H 1.230 0.020 1 358 42 42 LYS HD2 H 0.761 0.020 1 359 42 42 LYS HD3 H 0.761 0.020 1 360 42 42 LYS C C 175.817 0.3 1 361 42 42 LYS CA C 56.647 0.3 1 362 42 42 LYS CB C 33.969 0.3 1 363 43 43 GLU H H 8.422 0.020 1 364 43 43 GLU C C 175.178 0.3 1 365 43 43 GLU CA C 54.428 0.3 1 366 43 43 GLU CB C 34.384 0.3 1 367 43 43 GLU N N 118.598 0.3 1 368 44 44 TYR H H 8.727 0.020 1 369 44 44 TYR CA C 58.710 0.3 1 370 44 44 TYR CB C 39.500 0.3 1 371 44 44 TYR N N 123.048 0.3 1 372 45 45 ASN HA H 4.696 0.020 1 373 45 45 ASN HB2 H 2.756 0.020 2 374 45 45 ASN HB3 H 2.541 0.020 2 375 45 45 ASN C C 174.816 0.3 1 376 45 45 ASN CA C 53.001 0.3 1 377 45 45 ASN CB C 38.644 0.3 1 378 46 46 THR H H 8.137 0.020 1 379 46 46 THR HA H 4.260 0.020 1 380 46 46 THR HB H 4.213 0.020 1 381 46 46 THR HG2 H 1.114 0.020 1 382 46 46 THR C C 175.006 0.3 1 383 46 46 THR CA C 62.010 0.3 1 384 46 46 THR CB C 69.630 0.3 1 385 46 46 THR CG2 C 21.431 0.3 1 386 46 46 THR N N 112.693 0.3 1 387 47 47 GLY H H 8.419 0.020 1 388 47 47 GLY HA2 H 3.831 0.020 2 389 47 47 GLY HA3 H 3.663 0.020 2 390 47 47 GLY C C 173.762 0.3 1 391 47 47 GLY CA C 45.091 0.3 1 392 47 47 GLY N N 110.733 0.3 1 393 48 48 TYR H H 8.027 0.020 1 394 48 48 TYR C C 175.425 0.3 1 395 48 48 TYR CA C 58.046 0.3 1 396 48 48 TYR CB C 38.610 0.3 1 397 48 48 TYR N N 120.208 0.3 1 398 50 50 TYR C C 176.350 0.3 1 399 50 50 TYR CA C 55.579 0.3 1 400 50 50 TYR CB C 33.059 0.3 1 401 51 51 GLY H H 8.354 0.020 1 402 51 51 GLY HA2 H 3.977 0.020 1 403 51 51 GLY HA3 H 3.977 0.020 1 404 51 51 GLY C C 173.326 0.3 1 405 51 51 GLY CA C 45.589 0.3 1 406 51 51 GLY N N 109.426 0.3 1 407 52 52 TYR H H 8.184 0.020 1 408 52 52 TYR HA H 4.558 0.020 1 409 52 52 TYR HB2 H 2.984 0.020 1 410 52 52 TYR HB3 H 2.984 0.020 1 411 52 52 TYR C C 177.348 0.3 1 412 52 52 TYR CA C 52.930 0.3 1 413 52 52 TYR CB C 43.978 0.3 1 414 52 52 TYR N N 119.068 0.3 1 415 53 53 VAL H H 8.407 0.020 1 416 53 53 VAL HA H 4.642 0.020 1 417 53 53 VAL HB H 2.121 0.020 1 418 53 53 VAL HG1 H 0.994 0.020 1 419 53 53 VAL HG2 H 0.994 0.020 1 420 53 53 VAL C C 175.174 0.3 1 421 53 53 VAL CA C 60.739 0.3 1 422 53 53 VAL CB C 34.378 0.3 1 423 53 53 VAL CG1 C 24.742 0.3 1 424 53 53 VAL CG2 C 21.791 0.3 1 425 53 53 VAL N N 118.841 0.3 1 426 54 54 CYS H H 9.093 0.020 1 427 54 54 CYS HA H 5.820 0.020 1 428 54 54 CYS HB2 H 3.104 0.020 1 429 54 54 CYS HB3 H 3.104 0.020 1 430 54 54 CYS C C 173.019 0.3 1 431 54 54 CYS CA C 55.024 0.3 1 432 54 54 CYS CB C 46.599 0.3 1 433 54 54 CYS N N 123.179 0.3 1 434 55 55 VAL H H 9.329 0.020 1 435 55 55 VAL HA H 4.856 0.020 1 436 55 55 VAL HB H 1.554 0.020 1 437 55 55 VAL HG1 H 0.575 0.020 2 438 55 55 VAL HG2 H 0.367 0.020 2 439 55 55 VAL C C 172.675 0.3 1 440 55 55 VAL CA C 59.575 0.3 1 441 55 55 VAL CB C 33.972 0.3 1 442 55 55 VAL CG1 C 21.127 0.3 1 443 55 55 VAL CG2 C 20.389 0.3 1 444 55 55 VAL N N 120.386 0.3 1 445 56 56 GLU H H 8.888 0.020 1 446 56 56 GLU HA H 5.255 0.020 1 447 56 56 GLU HB2 H 1.975 0.020 1 448 56 56 GLU HB3 H 1.975 0.020 1 449 56 56 GLU HG2 H 2.641 0.020 1 450 56 56 GLU HG3 H 2.641 0.020 1 451 56 56 GLU C C 176.245 0.3 1 452 56 56 GLU CA C 54.141 0.3 1 453 56 56 GLU CB C 33.578 0.3 1 454 56 56 GLU CG C 36.548 0.3 1 455 56 56 GLU N N 124.014 0.3 1 456 57 57 PHE H H 9.431 0.020 1 457 57 57 PHE HA H 4.555 0.020 1 458 57 57 PHE HB2 H 3.328 0.020 2 459 57 57 PHE HB3 H 2.988 0.020 2 460 57 57 PHE C C 176.092 0.3 1 461 57 57 PHE CA C 57.507 0.3 1 462 57 57 PHE CB C 40.526 0.3 1 463 57 57 PHE N N 128.981 0.3 1 464 58 58 SER H H 8.787 0.020 1 465 58 58 SER HA H 4.340 0.020 1 466 58 58 SER HB2 H 3.987 0.020 1 467 58 58 SER HB3 H 3.987 0.020 1 468 58 58 SER C C 175.935 0.3 1 469 58 58 SER CA C 61.102 0.3 1 470 58 58 SER CB C 63.147 0.3 1 471 58 58 SER N N 117.687 0.3 1 472 59 59 LEU H H 8.287 0.020 1 473 59 59 LEU HA H 4.856 0.020 1 474 59 59 LEU HB2 H 1.696 0.020 1 475 59 59 LEU HB3 H 1.696 0.020 1 476 59 59 LEU HG H 1.900 0.020 1 477 59 59 LEU HD1 H 0.991 0.020 1 478 59 59 LEU HD2 H 0.991 0.020 1 479 59 59 LEU C C 177.420 0.3 1 480 59 59 LEU CA C 52.957 0.3 1 481 59 59 LEU CB C 43.932 0.3 1 482 59 59 LEU CG C 26.631 0.3 1 483 59 59 LEU CD1 C 23.248 0.3 1 484 59 59 LEU CD2 C 24.919 0.3 1 485 59 59 LEU N N 119.160 0.3 1 486 60 60 LEU H H 9.202 0.020 1 487 60 60 LEU HA H 3.861 0.020 1 488 60 60 LEU HB2 H 1.743 0.020 1 489 60 60 LEU HB3 H 1.743 0.020 1 490 60 60 LEU HG H 1.486 0.020 1 491 60 60 LEU HD1 H 0.810 0.020 2 492 60 60 LEU HD2 H 0.647 0.020 2 493 60 60 LEU C C 177.567 0.3 1 494 60 60 LEU CA C 58.204 0.3 1 495 60 60 LEU CB C 41.283 0.3 1 496 60 60 LEU CG C 25.406 0.3 1 497 60 60 LEU CD1 C 22.455 0.3 1 498 60 60 LEU N N 127.348 0.3 1 499 61 61 GLU H H 9.644 0.020 1 500 61 61 GLU HA H 3.900 0.020 1 501 61 61 GLU HB2 H 1.981 0.020 1 502 61 61 GLU HB3 H 1.981 0.020 1 503 61 61 GLU HG2 H 2.394 0.020 2 504 61 61 GLU HG3 H 2.262 0.020 2 505 61 61 GLU C C 179.073 0.3 1 506 61 61 GLU CA C 60.012 0.3 1 507 61 61 GLU CB C 28.492 0.3 1 508 61 61 GLU CG C 36.770 0.3 1 509 61 61 GLU N N 115.661 0.3 1 510 62 62 ASP H H 6.927 0.020 1 511 62 62 ASP HA H 4.512 0.020 1 512 62 62 ASP HB2 H 3.151 0.020 2 513 62 62 ASP HB3 H 2.776 0.020 2 514 62 62 ASP C C 176.866 0.3 1 515 62 62 ASP CA C 56.498 0.3 1 516 62 62 ASP CB C 40.719 0.3 1 517 62 62 ASP N N 119.127 0.3 1 518 63 63 ALA H H 6.947 0.020 1 519 63 63 ALA HA H 4.461 0.020 1 520 63 63 ALA HB H 1.358 0.020 1 521 63 63 ALA C C 178.483 0.3 1 522 63 63 ALA CA C 54.768 0.3 1 523 63 63 ALA CB C 18.988 0.3 1 524 63 63 ALA N N 125.849 0.3 1 525 64 64 ILE H H 8.184 0.020 1 526 64 64 ILE HA H 4.173 0.020 1 527 64 64 ILE HB H 1.556 0.020 1 528 64 64 ILE HG12 H 1.092 0.020 1 529 64 64 ILE HG13 H 1.092 0.020 1 530 64 64 ILE HG2 H 0.716 0.020 1 531 64 64 ILE HD1 H 0.854 0.020 1 532 64 64 ILE C C 178.745 0.3 1 533 64 64 ILE CA C 64.029 0.3 1 534 64 64 ILE CB C 38.834 0.3 1 535 64 64 ILE CG1 C 27.520 0.3 1 536 64 64 ILE CG2 C 16.733 0.3 1 537 64 64 ILE CD1 C 14.722 0.3 1 538 64 64 ILE N N 116.871 0.3 1 539 65 65 GLY H H 7.866 0.020 1 540 65 65 GLY HA2 H 3.898 0.020 1 541 65 65 GLY HA3 H 3.898 0.020 1 542 65 65 GLY C C 176.667 0.3 1 543 65 65 GLY CA C 46.892 0.3 1 544 65 65 GLY N N 105.083 0.3 1 545 66 66 CYS H H 7.890 0.020 1 546 66 66 CYS HA H 4.328 0.020 1 547 66 66 CYS HB2 H 2.924 0.020 1 548 66 66 CYS HB3 H 2.924 0.020 1 549 66 66 CYS C C 177.070 0.3 1 550 66 66 CYS CA C 62.971 0.3 1 551 66 66 CYS CB C 26.923 0.3 1 552 66 66 CYS N N 120.664 0.3 1 553 67 67 MET H H 8.405 0.020 1 554 67 67 MET HA H 4.154 0.020 1 555 67 67 MET HB2 H 2.211 0.020 2 556 67 67 MET HB3 H 2.389 0.020 2 557 67 67 MET HG2 H 3.333 0.020 2 558 67 67 MET HG3 H 2.986 0.020 2 559 67 67 MET C C 178.995 0.3 1 560 67 67 MET CA C 57.780 0.3 1 561 67 67 MET CB C 31.214 0.3 1 562 67 67 MET CG C 31.775 0.3 1 563 67 67 MET N N 120.936 0.3 1 564 68 68 GLU H H 8.737 0.020 1 565 68 68 GLU HA H 4.106 0.020 1 566 68 68 GLU HB2 H 2.532 0.020 2 567 68 68 GLU HB3 H 2.279 0.020 2 568 68 68 GLU HG2 H 2.072 0.020 1 569 68 68 GLU HG3 H 2.072 0.020 1 570 68 68 GLU C C 179.909 0.3 1 571 68 68 GLU CA C 58.325 0.3 1 572 68 68 GLU CB C 29.260 0.3 1 573 68 68 GLU CG C 36.475 0.3 1 574 68 68 GLU N N 117.200 0.3 1 575 69 69 ALA H H 8.223 0.020 1 576 69 69 ALA HA H 4.188 0.020 1 577 69 69 ALA HB H 1.532 0.020 1 578 69 69 ALA C C 178.980 0.3 1 579 69 69 ALA CA C 55.056 0.3 1 580 69 69 ALA CB C 18.404 0.3 1 581 69 69 ALA N N 122.027 0.3 1 582 70 70 ASN H H 7.837 0.020 1 583 70 70 ASN HA H 4.887 0.020 1 584 70 70 ASN HB2 H 3.346 0.020 2 585 70 70 ASN HB3 H 2.632 0.020 2 586 70 70 ASN C C 174.757 0.3 1 587 70 70 ASN CA C 53.081 0.3 1 588 70 70 ASN CB C 38.815 0.3 1 589 70 70 ASN N N 112.092 0.3 1 590 71 71 GLN H H 7.981 0.020 1 591 71 71 GLN HA H 3.990 0.020 1 592 71 71 GLN HB2 H 2.355 0.020 1 593 71 71 GLN HB3 H 2.355 0.020 1 594 71 71 GLN HG2 H 2.532 0.020 1 595 71 71 GLN HG3 H 2.532 0.020 1 596 71 71 GLN C C 176.401 0.3 1 597 71 71 GLN CA C 56.787 0.3 1 598 71 71 GLN CB C 26.169 0.3 1 599 71 71 GLN CG C 34.187 0.3 1 600 71 71 GLN N N 116.419 0.3 1 601 72 72 GLY H H 8.354 0.020 1 602 72 72 GLY HA2 H 4.156 0.020 2 603 72 72 GLY HA3 H 3.731 0.020 2 604 72 72 GLY C C 173.422 0.3 1 605 72 72 GLY CA C 46.814 0.3 1 606 72 72 GLY N N 103.099 0.3 1 607 73 73 THR H H 7.563 0.020 1 608 73 73 THR HA H 5.400 0.020 1 609 73 73 THR HB H 4.044 0.020 1 610 73 73 THR HG2 H 1.138 0.020 1 611 73 73 THR C C 172.609 0.3 1 612 73 73 THR CA C 60.050 0.3 1 613 73 73 THR CB C 72.633 0.3 1 614 73 73 THR CG2 C 21.717 0.3 1 615 73 73 THR N N 112.919 0.3 1 616 74 74 LEU H H 8.849 0.020 1 617 74 74 LEU HA H 4.623 0.020 1 618 74 74 LEU HB2 H 2.069 0.020 1 619 74 74 LEU HB3 H 2.069 0.020 1 620 74 74 LEU HG H 1.180 0.020 1 621 74 74 LEU HD1 H 0.301 0.020 1 622 74 74 LEU HD2 H 0.301 0.020 1 623 74 74 LEU C C 174.788 0.3 1 624 74 74 LEU CA C 53.262 0.3 1 625 74 74 LEU CB C 46.606 0.3 1 626 74 74 LEU CG C 25.991 0.3 1 627 74 74 LEU CD1 C 24.032 0.3 1 628 74 74 LEU CD2 C 24.317 0.3 1 629 74 74 LEU N N 121.603 0.3 1 630 75 75 MET H H 8.244 0.020 1 631 75 75 MET HA H 5.327 0.020 1 632 75 75 MET HB2 H 2.470 0.020 1 633 75 75 MET HB3 H 2.470 0.020 1 634 75 75 MET HG2 H 2.557 0.020 1 635 75 75 MET HG3 H 2.557 0.020 1 636 75 75 MET C C 176.028 0.3 1 637 75 75 MET CA C 53.164 0.3 1 638 75 75 MET CB C 31.925 0.3 1 639 75 75 MET CG C 31.318 0.3 1 640 75 75 MET N N 120.428 0.3 1 641 76 76 ILE H H 8.710 0.020 1 642 76 76 ILE HA H 4.117 0.020 1 643 76 76 ILE HB H 1.499 0.020 1 644 76 76 ILE HG12 H 1.349 0.020 2 645 76 76 ILE HG13 H 1.204 0.020 2 646 76 76 ILE HG2 H 0.925 0.020 1 647 76 76 ILE C C 175.085 0.3 1 648 76 76 ILE CA C 60.760 0.3 1 649 76 76 ILE CB C 39.588 0.3 1 650 76 76 ILE CG1 C 26.775 0.3 1 651 76 76 ILE CG2 C 16.869 0.3 1 652 76 76 ILE CD1 C 14.037 0.3 1 653 76 76 ILE N N 123.627 0.3 1 654 77 77 GLN H H 9.215 0.020 1 655 77 77 GLN C C 174.726 0.3 1 656 77 77 GLN CA C 56.853 0.3 1 657 77 77 GLN CB C 25.943 0.3 1 658 77 77 GLN N N 124.694 0.3 1 659 78 78 ASP H H 8.589 0.020 1 660 78 78 ASP HA H 4.325 0.020 1 661 78 78 ASP HB2 H 3.051 0.020 2 662 78 78 ASP HB3 H 2.845 0.020 2 663 78 78 ASP C C 174.544 0.3 1 664 78 78 ASP CA C 55.119 0.3 1 665 78 78 ASP CB C 39.678 0.3 1 666 78 78 ASP N N 113.611 0.3 1 667 79 79 LYS H H 8.088 0.020 1 668 79 79 LYS HA H 4.563 0.020 1 669 79 79 LYS HB2 H 1.929 0.020 1 670 79 79 LYS HB3 H 1.929 0.020 1 671 79 79 LYS HG2 H 1.417 0.020 1 672 79 79 LYS HG3 H 1.417 0.020 1 673 79 79 LYS HD2 H 1.697 0.020 2 674 79 79 LYS HD3 H 1.712 0.020 2 675 79 79 LYS HE2 H 3.063 0.020 1 676 79 79 LYS HE3 H 3.063 0.020 1 677 79 79 LYS C C 174.385 0.3 1 678 79 79 LYS CA C 54.031 0.3 1 679 79 79 LYS CB C 33.934 0.3 1 680 79 79 LYS CG C 24.447 0.3 1 681 79 79 LYS CD C 28.216 0.3 1 682 79 79 LYS CE C 42.304 0.3 1 683 79 79 LYS N N 121.122 0.3 1 684 80 80 GLU H H 8.460 0.020 1 685 80 80 GLU HA H 4.605 0.020 1 686 80 80 GLU HB2 H 2.004 0.020 1 687 80 80 GLU HB3 H 2.004 0.020 1 688 80 80 GLU HG2 H 2.151 0.020 1 689 80 80 GLU HG3 H 2.151 0.020 1 690 80 80 GLU C C 175.425 0.3 1 691 80 80 GLU CA C 57.011 0.3 1 692 80 80 GLU CB C 30.315 0.3 1 693 80 80 GLU CG C 37.212 0.3 1 694 80 80 GLU N N 123.604 0.3 1 695 81 81 VAL H H 9.360 0.020 1 696 81 81 VAL HA H 4.552 0.020 1 697 81 81 VAL HB H 1.982 0.020 1 698 81 81 VAL HG1 H 0.804 0.020 1 699 81 81 VAL HG2 H 0.804 0.020 1 700 81 81 VAL C C 175.301 0.3 1 701 81 81 VAL CA C 60.632 0.3 1 702 81 81 VAL CB C 33.783 0.3 1 703 81 81 VAL CG1 C 21.570 0.3 1 704 81 81 VAL N N 130.218 0.3 1 705 82 82 THR H H 8.438 0.020 1 706 82 82 THR HA H 4.730 0.020 1 707 82 82 THR HB H 4.170 0.020 1 708 82 82 THR HG2 H 1.242 0.020 1 709 82 82 THR C C 173.315 0.3 1 710 82 82 THR CA C 62.042 0.3 1 711 82 82 THR CB C 70.367 0.3 1 712 82 82 THR CG2 C 21.717 0.3 1 713 82 82 THR N N 119.468 0.3 1 714 83 83 LEU H H 8.176 0.020 1 715 83 83 LEU HA H 4.699 0.020 1 716 83 83 LEU HB2 H 1.688 0.020 1 717 83 83 LEU HB3 H 1.688 0.020 1 718 83 83 LEU HG H 1.415 0.020 1 719 83 83 LEU HD1 H 0.839 0.020 1 720 83 83 LEU HD2 H 0.839 0.020 1 721 83 83 LEU C C 175.968 0.3 1 722 83 83 LEU CA C 53.308 0.3 1 723 83 83 LEU CB C 44.080 0.3 1 724 83 83 LEU CG C 25.185 0.3 1 725 83 83 LEU CD1 C 27.104 0.3 1 726 83 83 LEU N N 123.661 0.3 1 727 84 84 GLU H H 8.864 0.020 1 728 84 84 GLU HA H 4.609 0.020 1 729 84 84 GLU HB2 H 2.197 0.020 1 730 84 84 GLU HB3 H 2.197 0.020 1 731 84 84 GLU HG2 H 2.273 0.020 1 732 84 84 GLU HG3 H 2.273 0.020 1 733 84 84 GLU C C 174.897 0.3 1 734 84 84 GLU CA C 54.736 0.3 1 735 84 84 GLU CB C 33.934 0.3 1 736 84 84 GLU CG C 36.252 0.3 1 737 84 84 GLU N N 126.623 0.3 1 738 85 85 TYR H H 8.746 0.020 1 739 85 85 TYR HA H 4.809 0.020 1 740 85 85 TYR HB2 H 3.042 0.020 2 741 85 85 TYR HB3 H 2.682 0.020 2 742 85 85 TYR C C 176.837 0.3 1 743 85 85 TYR CA C 58.709 0.3 1 744 85 85 TYR CB C 39.362 0.3 1 745 85 85 TYR N N 122.385 0.3 1 746 86 86 VAL H H 8.804 0.020 1 747 86 86 VAL HA H 4.257 0.020 1 748 86 86 VAL HB H 1.951 0.020 1 749 86 86 VAL HG1 H 0.875 0.020 1 750 86 86 VAL HG2 H 0.875 0.020 1 751 86 86 VAL C C 175.205 0.3 1 752 86 86 VAL CA C 62.298 0.3 1 753 86 86 VAL CB C 32.652 0.3 1 754 86 86 VAL CG1 C 25.038 0.3 1 755 86 86 VAL CG2 C 21.570 0.3 1 756 86 86 VAL N N 122.946 0.3 1 757 87 87 SER H H 8.198 0.020 1 758 87 87 SER C C 178.265 0.3 1 759 87 87 SER CA C 59.895 0.3 1 760 87 87 SER CB C 64.767 0.3 1 stop_ save_