data_16206 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; THE RRM DOMAIN IN GW182 PROTEINS CONTRIBUTES TO MIRNA-MEDIATED GENE SILENCING ; _BMRB_accession_number 16206 _BMRB_flat_file_name bmr16206.str _Entry_type original _Submission_date 2009-03-09 _Accession_date 2009-03-09 _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 Eulalio A. . . 2 Tritschler F. . . 3 Buettner R. . . 4 Weichenrieder O. . . 5 Izaurralde E. . . 6 Truffault V. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 498 "13C chemical shifts" 336 "15N chemical shifts" 94 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-05-21 update BMRB 'complete entry citation' 2009-03-30 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'The RRM Domain in GW182 Proteins Contributes to miRNA-mediated gene silencing' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19295135 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Eulalio Ana . . 2 Tritschler Felix . . 3 Buettner Regina . . 4 Weichenrieder Oliver . . 5 Izaurralde Elisa . . 6 Truffault Vincent . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic Acids Research' _Journal_volume 37 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2974 _Page_last 2983 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RRM DOMAIN OF GW182' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RRM DOMAIN OF GW182' $RRM_DOMAIN_OF_GW182 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_RRM_DOMAIN_OF_GW182 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RRM_DOMAIN_OF_GW182 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; GAMAWGSSWLLLKNLTAQID GPTLRTLCMQHGPLVSFHPY LNQGIALCKYTTREEANKAQ MALNNCVLANTTIFAESPSE NEVQSIMQH ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 ALA 5 TRP 6 GLY 7 SER 8 SER 9 TRP 10 LEU 11 LEU 12 LEU 13 LYS 14 ASN 15 LEU 16 THR 17 ALA 18 GLN 19 ILE 20 ASP 21 GLY 22 PRO 23 THR 24 LEU 25 ARG 26 THR 27 LEU 28 CYS 29 MET 30 GLN 31 HIS 32 GLY 33 PRO 34 LEU 35 VAL 36 SER 37 PHE 38 HIS 39 PRO 40 TYR 41 LEU 42 ASN 43 GLN 44 GLY 45 ILE 46 ALA 47 LEU 48 CYS 49 LYS 50 TYR 51 THR 52 THR 53 ARG 54 GLU 55 GLU 56 ALA 57 ASN 58 LYS 59 ALA 60 GLN 61 MET 62 ALA 63 LEU 64 ASN 65 ASN 66 CYS 67 VAL 68 LEU 69 ALA 70 ASN 71 THR 72 THR 73 ILE 74 PHE 75 ALA 76 GLU 77 SER 78 PRO 79 SER 80 GLU 81 ASN 82 GLU 83 VAL 84 GLN 85 SER 86 ILE 87 MET 88 GLN 89 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 PDB 2WBR "The Rrm Domain In Gw182 Proteins Contributes To Mirna- Mediated Gene Silencing" 100.00 89 100.00 100.00 4.15e-59 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RRM_DOMAIN_OF_GW182 'fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 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 $RRM_DOMAIN_OF_GW182 'recombinant technology' . ESCHERICHIA COLI 'BL21(DE3) ROSETTA 2' PETM60 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '10% WATER/90% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RRM_DOMAIN_OF_GW182 1 mM '[U-100% 13C; U-100% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '10% WATER/90% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RRM_DOMAIN_OF_GW182 1 mM '[U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_2.9.4A _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.9.4A loop_ _Vendor _Address _Electronic_address BRUNGER . . stop_ loop_ _Task refinement stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model 'AVANCE III' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_CBCACONH_1 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $sample_1 save_ save_CCCONH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CCCONH _Sample_label $sample_1 save_ save_CCHCOSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name CCHCOSY _Sample_label $sample_1 save_ save_CCHNOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name CCHNOESY _Sample_label $sample_1 save_ save_CCHTOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name CCHTOCSY _Sample_label $sample_1 save_ save_CHSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name CHSQC _Sample_label $sample_1 save_ save_CNHNOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name CNHNOESY _Sample_label $sample_1 save_ save_HBHACONH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _Sample_label $sample_1 save_ save_HCHNOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCHNOESY _Sample_label $sample_1 save_ save_HNCA_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNCACO_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _Sample_label $sample_1 save_ save_HNCACB_12 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HNCO_13 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HNHA_14 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $sample_1 save_ save_HNHB_15 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _Sample_label $sample_1 save_ save_HNHNOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name HNHNOESY _Sample_label $sample_1 save_ save_NHSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name NHSQC _Sample_label $sample_1 save_ save_NNHNOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name NNHNOESY _Sample_label $sample_1 save_ save_NOESYNON_19 _Saveframe_category NMR_applied_experiment _Experiment_name NOESYNON _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' 200 . mM pH 7.0 . pH pressure 1.0 . ATM temperature 298.0 . 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 water C 13 protons ppm 4.75 na indirect . . . 0.251449530 water H 1 protons ppm 4.75 na direct . . . 1.0 water N 15 protons ppm 4.75 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 CBCACONH CCCONH CCHCOSY CCHTOCSY CHSQC HBHACONH HNCA HNCACO HNCO HNHA HNHB NHSQC NOESYNON 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 'RRM DOMAIN OF GW182' _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 2 2 ALA HA H 4.25 . . 2 2 2 ALA HB H 1.32 . . 3 2 2 ALA C C 177.69 . . 4 2 2 ALA CA C 52.58 . . 5 2 2 ALA CB C 19.40 . . 6 3 3 MET H H 8.39 . . 7 3 3 MET HA H 4.34 . . 8 3 3 MET HB2 H 1.88 . . 9 3 3 MET HB3 H 1.88 . . 10 3 3 MET HG2 H 2.46 . . 11 3 3 MET HG3 H 2.46 . . 12 3 3 MET C C 175.64 . . 13 3 3 MET CA C 55.32 . . 14 3 3 MET CB C 32.73 . . 15 3 3 MET CG C 31.96 . . 16 3 3 MET N N 120.00 . . 17 4 4 ALA H H 8.17 . . 18 4 4 ALA HA H 4.29 . . 19 4 4 ALA HB H 1.25 . . 20 4 4 ALA C C 176.80 . . 21 4 4 ALA CA C 52.23 . . 22 4 4 ALA CB C 19.41 . . 23 4 4 ALA N N 125.58 . . 24 5 5 TRP H H 8.10 . . 25 5 5 TRP HA H 4.73 . . 26 5 5 TRP HB2 H 3.25 . . 27 5 5 TRP HB3 H 3.25 . . 28 5 5 TRP HD1 H 7.20 . . 29 5 5 TRP HE1 H 10.15 . . 30 5 5 TRP HE3 H 7.57 . . 31 5 5 TRP HZ2 H 7.40 . . 32 5 5 TRP C C 176.49 . . 33 5 5 TRP CA C 57.10 . . 34 5 5 TRP CB C 30.21 . . 35 5 5 TRP N N 120.27 . . 36 5 5 TRP NE1 N 129.55 . . 37 6 6 GLY H H 8.26 . . 38 6 6 GLY HA2 H 3.89 . . 39 6 6 GLY HA3 H 3.89 . . 40 6 6 GLY C C 173.24 . . 41 6 6 GLY CA C 45.44 . . 42 6 6 GLY N N 109.19 . . 43 7 7 SER H H 8.38 . . 44 7 7 SER HA H 4.73 . . 45 7 7 SER HB2 H 4.30 . . 46 7 7 SER HB3 H 4.00 . . 47 7 7 SER C C 173.38 . . 48 7 7 SER CA C 58.05 . . 49 7 7 SER CB C 65.32 . . 50 7 7 SER N N 116.24 . . 51 8 8 SER H H 8.44 . . 52 8 8 SER HA H 4.25 . . 53 8 8 SER HB2 H 3.39 . . 54 8 8 SER HB3 H 3.80 . . 55 8 8 SER C C 172.69 . . 56 8 8 SER CA C 59.07 . . 57 8 8 SER CB C 62.73 . . 58 8 8 SER N N 113.92 . . 59 9 9 TRP H H 8.28 . . 60 9 9 TRP HA H 5.25 . . 61 9 9 TRP HB2 H 2.90 . . 62 9 9 TRP HB3 H 2.90 . . 63 9 9 TRP HD1 H 7.16 . . 64 9 9 TRP HE1 H 10.38 . . 65 9 9 TRP HE3 H 7.37 . . 66 9 9 TRP HH2 H 6.89 . . 67 9 9 TRP HZ2 H 7.38 . . 68 9 9 TRP HZ3 H 6.63 . . 69 9 9 TRP C C 175.21 . . 70 9 9 TRP CA C 57.16 . . 71 9 9 TRP CB C 31.98 . . 72 9 9 TRP N N 120.94 . . 73 9 9 TRP NE1 N 129.46 . . 74 10 10 LEU H H 9.71 . . 75 10 10 LEU HA H 4.99 . . 76 10 10 LEU HB2 H 2.08 . . 77 10 10 LEU HB3 H 1.46 . . 78 10 10 LEU HD1 H 1.01 . . 79 10 10 LEU HD2 H 0.92 . . 80 10 10 LEU HG H 1.54 . . 81 10 10 LEU C C 173.62 . . 82 10 10 LEU CA C 54.00 . . 83 10 10 LEU CB C 47.59 . . 84 10 10 LEU CD1 C 26.92 . . 85 10 10 LEU CD2 C 24.30 . . 86 10 10 LEU CG C 27.16 . . 87 10 10 LEU N N 121.65 . . 88 11 11 LEU H H 9.12 . . 89 11 11 LEU HA H 5.20 . . 90 11 11 LEU HB2 H 1.82 . . 91 11 11 LEU HB3 H 1.04 . . 92 11 11 LEU HD1 H 0.87 . . 93 11 11 LEU HD2 H 0.77 . . 94 11 11 LEU HG H 1.38 . . 95 11 11 LEU C C 173.86 . . 96 11 11 LEU CA C 53.83 . . 97 11 11 LEU CB C 45.18 . . 98 11 11 LEU CD1 C 24.06 . . 99 11 11 LEU CD2 C 26.59 . . 100 11 11 LEU CG C 27.94 . . 101 11 11 LEU N N 127.47 . . 102 12 12 LEU H H 9.33 . . 103 12 12 LEU HA H 5.39 . . 104 12 12 LEU HB2 H 1.35 . . 105 12 12 LEU HB3 H 1.87 . . 106 12 12 LEU HD1 H 0.89 . . 107 12 12 LEU HD2 H 0.89 . . 108 12 12 LEU HG H 1.70 . . 109 12 12 LEU C C 175.17 . . 110 12 12 LEU CA C 53.23 . . 111 12 12 LEU CB C 43.77 . . 112 12 12 LEU CD1 C 26.29 . . 113 12 12 LEU CD2 C 24.53 . . 114 12 12 LEU CG C 27.78 . . 115 12 12 LEU N N 126.72 . . 116 13 13 LYS H H 9.19 . . 117 13 13 LYS HA H 5.29 . . 118 13 13 LYS HB2 H 1.94 . . 119 13 13 LYS HB3 H 1.76 . . 120 13 13 LYS HD2 H 1.59 . . 121 13 13 LYS HD3 H 1.59 . . 122 13 13 LYS HE2 H 2.75 . . 123 13 13 LYS HE3 H 2.75 . . 124 13 13 LYS HG2 H 1.37 . . 125 13 13 LYS HG3 H 1.37 . . 126 13 13 LYS C C 175.22 . . 127 13 13 LYS CA C 54.29 . . 128 13 13 LYS CB C 36.61 . . 129 13 13 LYS CD C 29.56 . . 130 13 13 LYS CE C 41.96 . . 131 13 13 LYS CG C 25.18 . . 132 13 13 LYS N N 118.84 . . 133 14 14 ASN H H 8.70 . . 134 14 14 ASN HA H 4.33 . . 135 14 14 ASN HB2 H 3.80 . . 136 14 14 ASN HB3 H 2.35 . . 137 14 14 ASN HD21 H 8.25 . . 138 14 14 ASN HD22 H 6.63 . . 139 14 14 ASN C C 175.06 . . 140 14 14 ASN CA C 53.98 . . 141 14 14 ASN CB C 39.22 . . 142 14 14 ASN N N 115.61 . . 143 14 14 ASN ND2 N 113.61 . . 144 15 15 LEU H H 8.00 . . 145 15 15 LEU HA H 4.05 . . 146 15 15 LEU HB2 H 1.23 . . 147 15 15 LEU HB3 H 1.23 . . 148 15 15 LEU HD1 H 0.55 . . 149 15 15 LEU HD2 H 0.62 . . 150 15 15 LEU HG H 1.44 . . 151 15 15 LEU C C 175.88 . . 152 15 15 LEU CA C 54.29 . . 153 15 15 LEU CB C 41.58 . . 154 15 15 LEU CD1 C 27.19 . . 155 15 15 LEU CD2 C 23.00 . . 156 15 15 LEU CG C 27.20 . . 157 15 15 LEU N N 114.58 . . 158 16 16 THR H H 6.44 . . 159 16 16 THR HA H 4.68 . . 160 16 16 THR HB H 4.59 . . 161 16 16 THR HG1 H 5.57 . . 162 16 16 THR HG2 H 1.10 . . 163 16 16 THR C C 174.66 . . 164 16 16 THR CA C 59.37 . . 165 16 16 THR CB C 71.79 . . 166 16 16 THR CG2 C 21.62 . . 167 16 16 THR N N 107.68 . . 168 17 17 ALA H H 8.57 . . 169 17 17 ALA HA H 4.17 . . 170 17 17 ALA HB H 1.38 . . 171 17 17 ALA C C 177.51 . . 172 17 17 ALA CA C 53.23 . . 173 17 17 ALA CB C 18.12 . . 174 17 17 ALA N N 119.69 . . 175 18 18 GLN H H 7.55 . . 176 18 18 GLN HA H 4.12 . . 177 18 18 GLN HB2 H 2.10 . . 178 18 18 GLN HB3 H 1.83 . . 179 18 18 GLN HE21 H 7.47 . . 180 18 18 GLN HE22 H 6.79 . . 181 18 18 GLN HG2 H 2.35 . . 182 18 18 GLN HG3 H 2.30 . . 183 18 18 GLN C C 175.84 . . 184 18 18 GLN CA C 57.12 . . 185 18 18 GLN CB C 28.62 . . 186 18 18 GLN CG C 35.15 . . 187 18 18 GLN N N 114.78 . . 188 18 18 GLN NE2 N 111.91 . . 189 19 19 ILE H H 7.29 . . 190 19 19 ILE HA H 3.89 . . 191 19 19 ILE HB H 2.04 . . 192 19 19 ILE HD1 H 0.80 . . 193 19 19 ILE HG12 H 1.45 . . 194 19 19 ILE HG13 H 1.28 . . 195 19 19 ILE HG2 H 0.80 . . 196 19 19 ILE C C 173.38 . . 197 19 19 ILE CA C 60.14 . . 198 19 19 ILE CB C 37.56 . . 199 19 19 ILE CD1 C 13.15 . . 200 19 19 ILE CG1 C 27.99 . . 201 19 19 ILE CG2 C 18.12 . . 202 19 19 ILE N N 120.79 . . 203 20 20 ASP H H 8.09 . . 204 20 20 ASP HA H 4.67 . . 205 20 20 ASP HB2 H 2.76 . . 206 20 20 ASP HB3 H 2.61 . . 207 20 20 ASP C C 175.61 . . 208 20 20 ASP CA C 52.88 . . 209 20 20 ASP CB C 43.10 . . 210 20 20 ASP N N 125.33 . . 211 21 21 GLY H H 8.98 . . 212 21 21 GLY HA2 H 4.23 . . 213 21 21 GLY HA3 H 3.66 . . 214 21 21 GLY C C 173.75 . . 215 21 21 GLY CA C 48.51 . . 216 21 21 GLY N N 111.83 . . 217 22 22 PRO HA H 4.01 . . 218 22 22 PRO HB2 H 1.84 . . 219 22 22 PRO HB3 H 2.28 . . 220 22 22 PRO HD2 H 3.59 . . 221 22 22 PRO HD3 H 3.87 . . 222 22 22 PRO HG2 H 2.12 . . 223 22 22 PRO HG3 H 1.83 . . 224 22 22 PRO CA C 65.80 . . 225 22 22 PRO CB C 31.98 . . 226 22 22 PRO CD C 50.78 . . 227 22 22 PRO CG C 28.19 . . 228 23 23 THR H H 7.79 . . 229 23 23 THR HA H 3.75 . . 230 23 23 THR HB H 4.31 . . 231 23 23 THR HG2 H 1.15 . . 232 23 23 THR C C 176.06 . . 233 23 23 THR CA C 67.17 . . 234 23 23 THR CB C 67.89 . . 235 23 23 THR CG2 C 20.81 . . 236 23 23 THR N N 115.69 . . 237 24 24 LEU H H 7.94 . . 238 24 24 LEU HA H 3.96 . . 239 24 24 LEU HB2 H 2.00 . . 240 24 24 LEU HB3 H 1.48 . . 241 24 24 LEU HD1 H 0.82 . . 242 24 24 LEU HD2 H 0.82 . . 243 24 24 LEU HG H 1.64 . . 244 24 24 LEU CA C 57.69 . . 245 24 24 LEU CB C 41.95 . . 246 24 24 LEU CD1 C 26.43 . . 247 24 24 LEU CD2 C 23.61 . . 248 24 24 LEU CG C 26.93 . . 249 24 24 LEU N N 122.81 . . 250 25 25 ARG H H 8.55 . . 251 25 25 ARG HA H 2.74 . . 252 25 25 ARG HB2 H 1.49 . . 253 25 25 ARG HB3 H 0.75 . . 254 25 25 ARG HD2 H 2.82 . . 255 25 25 ARG HD3 H 2.77 . . 256 25 25 ARG HG2 H 0.95 . . 257 25 25 ARG HG3 H 0.36 . . 258 25 25 ARG C C 177.80 . . 259 25 25 ARG CA C 60.28 . . 260 25 25 ARG CB C 29.15 . . 261 25 25 ARG CD C 43.06 . . 262 25 25 ARG CG C 27.87 . . 263 25 25 ARG N N 120.80 . . 264 26 26 THR H H 7.93 . . 265 26 26 THR HA H 3.72 . . 266 26 26 THR HB H 4.23 . . 267 26 26 THR HG2 H 1.11 . . 268 26 26 THR CA C 67.04 . . 269 26 26 THR CB C 68.47 . . 270 26 26 THR CG2 C 22.18 . . 271 27 27 LEU H H 8.50 . . 272 27 27 LEU HA H 4.91 . . 273 27 27 LEU HB2 H 1.87 . . 274 27 27 LEU HB3 H 1.71 . . 275 27 27 LEU HD1 H 0.83 . . 276 27 27 LEU HD2 H 0.79 . . 277 27 27 LEU HG H 1.64 . . 278 27 27 LEU C C 178.96 . . 279 27 27 LEU CA C 58.34 . . 280 27 27 LEU CB C 41.84 . . 281 27 27 LEU CD1 C 24.60 . . 282 27 27 LEU CD2 C 25.58 . . 283 27 27 LEU CG C 27.09 . . 284 28 28 CYS H H 8.07 . . 285 28 28 CYS HA H 4.09 . . 286 28 28 CYS HB2 H 3.07 . . 287 28 28 CYS HB3 H 2.92 . . 288 28 28 CYS C C 179.10 . . 289 28 28 CYS CA C 64.57 . . 290 28 28 CYS CB C 27.27 . . 291 28 28 CYS N N 116.40 . . 292 29 29 MET H H 8.49 . . 293 29 29 MET HA H 4.69 . . 294 29 29 MET HB2 H 2.12 . . 295 29 29 MET HB3 H 2.12 . . 296 29 29 MET HE H 0.78 . . 297 29 29 MET HG2 H 2.21 . . 298 29 29 MET HG3 H 2.13 . . 299 29 29 MET C C 176.57 . . 300 29 29 MET CA C 57.19 . . 301 29 29 MET CB C 33.06 . . 302 29 29 MET CG C 32.05 . . 303 29 29 MET N N 120.38 . . 304 30 30 GLN H H 7.43 . . 305 30 30 GLN HA H 3.81 . . 306 30 30 GLN HB2 H 1.55 . . 307 30 30 GLN HB3 H 1.55 . . 308 30 30 GLN HG2 H 2.12 . . 309 30 30 GLN HG3 H 2.12 . . 310 30 30 GLN CA C 57.17 . . 311 30 30 GLN CB C 27.57 . . 312 30 30 GLN CG C 32.56 . . 313 30 30 GLN N N 117.37 . . 314 31 31 HIS H H 6.90 . . 315 31 31 HIS HA H 4.44 . . 316 31 31 HIS HB2 H 3.10 . . 317 31 31 HIS HB3 H 2.52 . . 318 31 31 HIS HD2 H 6.48 . . 319 31 31 HIS C C 173.76 . . 320 31 31 HIS CA C 56.45 . . 321 31 31 HIS CB C 32.00 . . 322 31 31 HIS N N 114.21 . . 323 32 32 GLY H H 7.24 . . 324 32 32 GLY HA2 H 3.94 . . 325 32 32 GLY HA3 H 3.94 . . 326 32 32 GLY C C 169.31 . . 327 32 32 GLY CA C 44.97 . . 328 32 32 GLY N N 108.29 . . 329 33 33 PRO HA H 4.43 . . 330 33 33 PRO HB2 H 2.09 . . 331 33 33 PRO HB3 H 1.94 . . 332 33 33 PRO HD2 H 3.68 . . 333 33 33 PRO HD3 H 3.55 . . 334 33 33 PRO HG2 H 2.19 . . 335 33 33 PRO HG3 H 1.97 . . 336 33 33 PRO CA C 62.34 . . 337 33 33 PRO CB C 30.81 . . 338 33 33 PRO CD C 49.38 . . 339 33 33 PRO CG C 27.80 . . 340 34 34 LEU H H 7.92 . . 341 34 34 LEU HA H 4.03 . . 342 34 34 LEU C C 177.63 . . 343 34 34 LEU CA C 53.98 . . 344 35 35 VAL H H 8.99 . . 345 35 35 VAL HA H 3.69 . . 346 35 35 VAL HB H 1.40 . . 347 35 35 VAL HG1 H 0.75 . . 348 35 35 VAL HG2 H 0.64 . . 349 35 35 VAL C C 176.55 . . 350 35 35 VAL CA C 64.13 . . 351 35 35 VAL CB C 32.42 . . 352 35 35 VAL CG1 C 21.05 . . 353 35 35 VAL CG2 C 21.58 . . 354 35 35 VAL N N 126.03 . . 355 36 36 SER H H 7.22 . . 356 36 36 SER HA H 4.39 . . 357 36 36 SER HB2 H 3.45 . . 358 36 36 SER HB3 H 3.75 . . 359 36 36 SER C C 171.58 . . 360 36 36 SER CA C 58.19 . . 361 36 36 SER CB C 64.96 . . 362 36 36 SER N N 110.96 . . 363 37 37 PHE H H 8.18 . . 364 37 37 PHE HA H 4.93 . . 365 37 37 PHE HB2 H 2.76 . . 366 37 37 PHE HB3 H 2.76 . . 367 37 37 PHE HD1 H 7.18 . . 368 37 37 PHE HD2 H 7.18 . . 369 37 37 PHE HE1 H 7.06 . . 370 37 37 PHE HE2 H 7.06 . . 371 37 37 PHE HZ H 7.06 . . 372 37 37 PHE C C 172.80 . . 373 37 37 PHE CA C 58.02 . . 374 37 37 PHE CB C 42.22 . . 375 37 37 PHE N N 123.22 . . 376 38 38 HIS H H 8.72 . . 377 38 38 HIS HA H 4.67 . . 378 38 38 HIS HB2 H 2.75 . . 379 38 38 HIS HB3 H 3.06 . . 380 38 38 HIS C C 171.30 . . 381 38 38 HIS CA C 52.17 . . 382 38 38 HIS CB C 30.75 . . 383 38 38 HIS N N 125.48 . . 384 38 38 HIS ND1 N 115.8 . . 385 39 39 PRO HA H 4.10 . . 386 39 39 PRO HB2 H 1.95 . . 387 39 39 PRO HB3 H 1.54 . . 388 39 39 PRO HD2 H 3.53 . . 389 39 39 PRO HD3 H 2.66 . . 390 39 39 PRO HG2 H 2.16 . . 391 39 39 PRO HG3 H 1.89 . . 392 39 39 PRO CA C 62.12 . . 393 39 39 PRO CB C 31.16 . . 394 39 39 PRO CD C 49.48 . . 395 39 39 PRO CG C 26.25 . . 396 40 40 TYR H H 8.52 . . 397 40 40 TYR HA H 4.87 . . 398 40 40 TYR HB2 H 2.94 . . 399 40 40 TYR HB3 H 2.65 . . 400 40 40 TYR HD1 H 6.84 . . 401 40 40 TYR HD2 H 6.84 . . 402 40 40 TYR HE1 H 6.57 . . 403 40 40 TYR HE2 H 6.57 . . 404 40 40 TYR C C 178.10 . . 405 40 40 TYR CA C 56.08 . . 406 40 40 TYR CB C 37.19 . . 407 40 40 TYR N N 127.10 . . 408 41 41 LEU H H 8.41 . . 409 41 41 LEU HA H 3.76 . . 410 41 41 LEU HB2 H 1.74 . . 411 41 41 LEU HB3 H 1.53 . . 412 41 41 LEU HD1 H 0.67 . . 413 41 41 LEU HD2 H 0.91 . . 414 41 41 LEU HG H 1.65 . . 415 41 41 LEU C C 179.81 . . 416 41 41 LEU CA C 58.81 . . 417 41 41 LEU CB C 39.81 . . 418 41 41 LEU CD1 C 25.19 . . 419 41 41 LEU CD2 C 22.66 . . 420 41 41 LEU CG C 27.44 . . 421 41 41 LEU N N 121.30 . . 422 42 42 ASN H H 7.12 . . 423 42 42 ASN HA H 4.50 . . 424 42 42 ASN HB2 H 2.90 . . 425 42 42 ASN HB3 H 2.90 . . 426 42 42 ASN HD21 H 7.65 . . 427 42 42 ASN HD22 H 6.99 . . 428 42 42 ASN C C 176.14 . . 429 42 42 ASN CA C 55.63 . . 430 42 42 ASN CB C 37.00 . . 431 42 42 ASN N N 125.1 . . 432 42 42 ASN ND2 N 112.97 . . 433 43 43 GLN H H 7.86 . . 434 43 43 GLN HA H 4.50 . . 435 43 43 GLN HB2 H 2.30 . . 436 43 43 GLN HB3 H 2.01 . . 437 43 43 GLN HE21 H 7.33 . . 438 43 43 GLN HE22 H 6.68 . . 439 43 43 GLN HG2 H 2.30 . . 440 43 43 GLN HG3 H 2.21 . . 441 43 43 GLN C C 175.99 . . 442 43 43 GLN CA C 55.52 . . 443 43 43 GLN CB C 30.34 . . 444 43 43 GLN CG C 34.47 . . 445 43 43 GLN N N 117.25 . . 446 43 43 GLN NE2 N 110.85 . . 447 44 44 GLY H H 7.74 . . 448 44 44 GLY HA2 H 4.10 . . 449 44 44 GLY HA3 H 3.73 . . 450 44 44 GLY C C 173.67 . . 451 44 44 GLY CA C 46.37 . . 452 44 44 GLY N N 107.69 . . 453 45 45 ILE H H 7.14 . . 454 45 45 ILE HA H 5.75 . . 455 45 45 ILE HB H 1.88 . . 456 45 45 ILE HD1 H 0.66 . . 457 45 45 ILE HG12 H 1.38 . . 458 45 45 ILE HG13 H 0.91 . . 459 45 45 ILE HG2 H 0.93 . . 460 45 45 ILE C C 175.09 . . 461 45 45 ILE CA C 58.85 . . 462 45 45 ILE CB C 44.49 . . 463 45 45 ILE CD1 C 13.89 . . 464 45 45 ILE CG1 C 26.75 . . 465 45 45 ILE CG2 C 18.05 . . 466 45 45 ILE N N 111.02 . . 467 46 46 ALA H H 8.75 . . 468 46 46 ALA HA H 4.69 . . 469 46 46 ALA HB H 1.00 . . 470 46 46 ALA C C 174.19 . . 471 46 46 ALA CA C 51.87 . . 472 46 46 ALA CB C 22.54 . . 473 46 46 ALA N N 118.86 . . 474 47 47 LEU H H 8.28 . . 475 47 47 LEU HA H 5.69 . . 476 47 47 LEU HB2 H 1.82 . . 477 47 47 LEU HB3 H 1.92 . . 478 47 47 LEU HD1 H 0.85 . . 479 47 47 LEU HD2 H 0.79 . . 480 47 47 LEU HG H 1.69 . . 481 47 47 LEU C C 175.76 . . 482 47 47 LEU CA C 53.37 . . 483 47 47 LEU CB C 46.69 . . 484 47 47 LEU CD1 C 25.69 . . 485 47 47 LEU CD2 C 26.30 . . 486 47 47 LEU CG C 27.92 . . 487 47 47 LEU N N 120.95 . . 488 48 48 CYS H H 9.49 . . 489 48 48 CYS HA H 5.07 . . 490 48 48 CYS HB2 H 3.01 . . 491 48 48 CYS HB3 H 2.76 . . 492 48 48 CYS C C 170.95 . . 493 48 48 CYS CA C 56.44 . . 494 48 48 CYS CB C 31.70 . . 495 48 48 CYS N N 118.93 . . 496 49 49 LYS H H 8.18 . . 497 49 49 LYS HA H 4.31 . . 498 49 49 LYS HB2 H 0.91 . . 499 49 49 LYS HB3 H -0.37 . . 500 49 49 LYS HD2 H 0.79 . . 501 49 49 LYS HD3 H 0.56 . . 502 49 49 LYS HE2 H 2.51 . . 503 49 49 LYS HE3 H 2.51 . . 504 49 49 LYS HG2 H 0.90 . . 505 49 49 LYS HG3 H -0.29 . . 506 49 49 LYS C C 174.74 . . 507 49 49 LYS CA C 55.23 . . 508 49 49 LYS CB C 35.20 . . 509 49 49 LYS CD C 28.95 . . 510 49 49 LYS CE C 42.52 . . 511 49 49 LYS CG C 24.76 . . 512 49 49 LYS N N 125.12 . . 513 50 50 TYR H H 8.43 . . 514 50 50 TYR HA H 4.78 . . 515 50 50 TYR HB2 H 3.25 . . 516 50 50 TYR HB3 H 2.72 . . 517 50 50 TYR HD1 H 6.76 . . 518 50 50 TYR HD2 H 6.76 . . 519 50 50 TYR HE1 H 6.47 . . 520 50 50 TYR HE2 H 6.47 . . 521 50 50 TYR C C 175.43 . . 522 50 50 TYR CA C 58.01 . . 523 50 50 TYR CB C 41.01 . . 524 50 50 TYR N N 125.94 . . 525 51 51 THR H H 7.72 . . 526 51 51 THR HA H 3.87 . . 527 51 51 THR HB H 4.38 . . 528 51 51 THR HG2 H 1.22 . . 529 51 51 THR CA C 65.95 . . 530 51 51 THR CB C 68.53 . . 531 51 51 THR CG2 C 22.65 . . 532 52 52 THR H H 7.50 . . 533 52 52 THR HA H 4.83 . . 534 52 52 THR HB H 4.62 . . 535 52 52 THR HG2 H 1.18 . . 536 52 52 THR C C 174.64 . . 537 52 52 THR CA C 59.37 . . 538 52 52 THR CB C 73.82 . . 539 52 52 THR CG2 C 21.88 . . 540 52 52 THR N N 107.56 . . 541 53 53 ARG H H 8.80 . . 542 53 53 ARG HA H 3.92 . . 543 53 53 ARG HB2 H 1.68 . . 544 53 53 ARG HB3 H 1.61 . . 545 53 53 ARG HD2 H 2.99 . . 546 53 53 ARG HD3 H 2.99 . . 547 53 53 ARG HG2 H 1.49 . . 548 53 53 ARG HG3 H 1.40 . . 549 53 53 ARG C C 177.97 . . 550 53 53 ARG CA C 58.34 . . 551 53 53 ARG CB C 29.99 . . 552 53 53 ARG CD C 43.53 . . 553 53 53 ARG CG C 26.74 . . 554 53 53 ARG N N 121.75 . . 555 54 54 GLU H H 8.83 . . 556 54 54 GLU HA H 3.82 . . 557 54 54 GLU HB2 H 1.83 . . 558 54 54 GLU HB3 H 2.05 . . 559 54 54 GLU HG2 H 2.39 . . 560 54 54 GLU HG3 H 2.18 . . 561 54 54 GLU C C 179.52 . . 562 54 54 GLU CA C 60.73 . . 563 54 54 GLU CB C 28.68 . . 564 54 54 GLU CG C 37.05 . . 565 54 54 GLU N N 120.08 . . 566 55 55 GLU H H 7.60 . . 567 55 55 GLU C C 177.89 . . 568 55 55 GLU N N 119.48 . . 569 56 56 ALA H H 8.31 . . 570 56 56 ALA HA H 3.49 . . 571 56 56 ALA HB H 1.43 . . 572 56 56 ALA C C 179.06 . . 573 56 56 ALA CA C 55.24 . . 574 56 56 ALA CB C 17.80 . . 575 56 56 ALA N N 115.5 . . 576 57 57 ASN H H 8.31 . . 577 57 57 ASN HA H 4.24 . . 578 57 57 ASN HB2 H 2.54 . . 579 57 57 ASN HB3 H 2.63 . . 580 57 57 ASN HD21 H 7.48 . . 581 57 57 ASN HD22 H 6.72 . . 582 57 57 ASN C C 177.13 . . 583 57 57 ASN CA C 56.31 . . 584 57 57 ASN CB C 38.98 . . 585 57 57 ASN N N 116.64 . . 586 57 57 ASN ND2 N 111.44 . . 587 58 58 LYS H H 7.61 . . 588 58 58 LYS HA H 3.82 . . 589 58 58 LYS HB2 H 1.84 . . 590 58 58 LYS HB3 H 1.84 . . 591 58 58 LYS HD2 H 1.67 . . 592 58 58 LYS HD3 H 1.67 . . 593 58 58 LYS HE2 H 2.94 . . 594 58 58 LYS HE3 H 2.94 . . 595 58 58 LYS HG2 H 1.55 . . 596 58 58 LYS HG3 H 1.42 . . 597 58 58 LYS C C 179.34 . . 598 58 58 LYS CA C 59.52 . . 599 58 58 LYS CB C 32.05 . . 600 58 58 LYS CD C 29.34 . . 601 58 58 LYS CE C 42.00 . . 602 58 58 LYS CG C 25.37 . . 603 58 58 LYS N N 120.25 . . 604 59 59 ALA H H 7.85 . . 605 59 59 ALA HB H 1.07 . . 606 59 59 ALA C C 178.53 . . 607 59 59 ALA CA C 54.69 . . 608 59 59 ALA CB C 19.18 . . 609 59 59 ALA N N 122.69 . . 610 60 60 GLN H H 8.44 . . 611 60 60 GLN HA H 3.38 . . 612 60 60 GLN HB2 H 2.34 . . 613 60 60 GLN HB3 H 1.97 . . 614 60 60 GLN HE21 H 7.24 . . 615 60 60 GLN HE22 H 6.57 . . 616 60 60 GLN HG2 H 2.23 . . 617 60 60 GLN HG3 H 1.98 . . 618 60 60 GLN CA C 60.06 . . 619 60 60 GLN CB C 26.93 . . 620 60 60 GLN CG C 32.97 . . 621 60 60 GLN N N 118.69 . . 622 60 60 GLN NE2 N 108.18 . . 623 61 61 MET H H 7.45 . . 624 61 61 MET HA H 4.00 . . 625 61 61 MET HB2 H 2.02 . . 626 61 61 MET HB3 H 2.02 . . 627 61 61 MET HG2 H 2.78 . . 628 61 61 MET HG3 H 2.59 . . 629 61 61 MET C C 177.93 . . 630 61 61 MET CA C 57.69 . . 631 61 61 MET CB C 32.49 . . 632 61 61 MET CG C 32.16 . . 633 61 61 MET N N 114.55 . . 634 62 62 ALA H H 7.34 . . 635 62 62 ALA HA H 4.15 . . 636 62 62 ALA HB H 1.19 . . 637 62 62 ALA C C 179.29 . . 638 62 62 ALA CA C 53.75 . . 639 62 62 ALA CB C 19.96 . . 640 62 62 ALA N N 120.29 . . 641 63 63 LEU H H 8.24 . . 642 63 63 LEU HA H 4.19 . . 643 63 63 LEU HB2 H 1.17 . . 644 63 63 LEU HB3 H 1.55 . . 645 63 63 LEU HD1 H 0.84 . . 646 63 63 LEU HD2 H 0.77 . . 647 63 63 LEU HG H 1.64 . . 648 63 63 LEU C C 176.99 . . 649 63 63 LEU CA C 55.78 . . 650 63 63 LEU CB C 42.99 . . 651 63 63 LEU CD1 C 26.82 . . 652 63 63 LEU CD2 C 23.95 . . 653 63 63 LEU CG C 27.68 . . 654 63 63 LEU N N 116.75 . . 655 64 64 ASN H H 7.65 . . 656 64 64 ASN HA H 4.33 . . 657 64 64 ASN HB2 H 3.04 . . 658 64 64 ASN HB3 H 2.80 . . 659 64 64 ASN HD21 H 7.83 . . 660 64 64 ASN HD22 H 6.90 . . 661 64 64 ASN C C 176.42 . . 662 64 64 ASN CA C 55.90 . . 663 64 64 ASN CB C 38.70 . . 664 64 64 ASN N N 115.68 . . 665 64 64 ASN ND2 N 113.84 . . 666 65 65 ASN H H 9.16 . . 667 65 65 ASN HA H 4.10 . . 668 65 65 ASN HB2 H 3.03 . . 669 65 65 ASN HB3 H 2.93 . . 670 65 65 ASN HD21 H 7.42 . . 671 65 65 ASN HD22 H 6.61 . . 672 65 65 ASN C C 174.03 . . 673 65 65 ASN CA C 55.44 . . 674 65 65 ASN CB C 37.35 . . 675 65 65 ASN N N 121.44 . . 676 65 65 ASN ND2 N 111.77 . . 677 66 66 CYS H H 7.67 . . 678 66 66 CYS HA H 4.43 . . 679 66 66 CYS HB2 H 2.85 . . 680 66 66 CYS HB3 H 2.85 . . 681 66 66 CYS C C 173.30 . . 682 66 66 CYS CA C 59.30 . . 683 66 66 CYS CB C 28.31 . . 684 66 66 CYS N N 119.63 . . 685 67 67 VAL H H 8.32 . . 686 67 67 VAL HA H 4.51 . . 687 67 67 VAL HB H 1.82 . . 688 67 67 VAL HG1 H 0.75 . . 689 67 67 VAL HG2 H 0.89 . . 690 67 67 VAL CA C 62.41 . . 691 67 67 VAL CB C 32.43 . . 692 67 67 VAL CG1 C 21.00 . . 693 67 67 VAL CG2 C 21.53 . . 694 67 67 VAL N N 126.40 . . 695 68 68 LEU H H 8.32 . . 696 68 68 LEU HA H 4.39 . . 697 68 68 LEU HB2 H 1.47 . . 698 68 68 LEU HB3 H 1.24 . . 699 68 68 LEU HD1 H 0.87 . . 700 68 68 LEU HD2 H 0.77 . . 701 68 68 LEU HG H 1.46 . . 702 68 68 LEU CA C 54.27 . . 703 68 68 LEU CB C 45.21 . . 704 68 68 LEU CD1 C 24.06 . . 705 68 68 LEU CD2 C 26.59 . . 706 68 68 LEU CG C 27.94 . . 707 68 68 LEU N N 128.93 . . 708 69 69 ALA H H 8.83 . . 709 69 69 ALA HA H 3.77 . . 710 69 69 ALA HB H 1.29 . . 711 69 69 ALA C C 176.10 . . 712 69 69 ALA CA C 53.47 . . 713 69 69 ALA CB C 16.81 . . 714 69 69 ALA N N 126.57 . . 715 70 70 ASN H H 8.12 . . 716 70 70 ASN HA H 4.52 . . 717 70 70 ASN HB2 H 2.73 . . 718 70 70 ASN HB3 H 3.03 . . 719 70 70 ASN HD21 H 7.52 . . 720 70 70 ASN HD22 H 6.97 . . 721 70 70 ASN C C 174.47 . . 722 70 70 ASN CA C 53.00 . . 723 70 70 ASN CB C 37.75 . . 724 70 70 ASN N N 117.09 . . 725 70 70 ASN ND2 N 111.18 . . 726 71 71 THR H H 8.19 . . 727 71 71 THR HA H 4.69 . . 728 71 71 THR HB H 3.87 . . 729 71 71 THR HG1 H 5.32 . . 730 71 71 THR HG2 H 1.22 . . 731 71 71 THR C C 171.66 . . 732 71 71 THR CA C 59.65 . . 733 71 71 THR CB C 71.35 . . 734 71 71 THR CG2 C 19.63 . . 735 71 71 THR N N 115.79 . . 736 72 72 THR H H 7.79 . . 737 72 72 THR HA H 4.51 . . 738 72 72 THR HB H 3.66 . . 739 72 72 THR HG2 H 0.82 . . 740 72 72 THR C C 172.83 . . 741 72 72 THR CA C 61.58 . . 742 72 72 THR CB C 70.10 . . 743 72 72 THR CG2 C 21.56 . . 744 72 72 THR N N 119.74 . . 745 73 73 ILE H H 8.87 . . 746 73 73 ILE HA H 3.91 . . 747 73 73 ILE HB H 2.02 . . 748 73 73 ILE HD1 H 0.65 . . 749 73 73 ILE HG12 H 1.60 . . 750 73 73 ILE HG13 H 0.86 . . 751 73 73 ILE HG2 H 0.80 . . 752 73 73 ILE C C 174.93 . . 753 73 73 ILE CA C 61.87 . . 754 73 73 ILE CB C 39.03 . . 755 73 73 ILE CD1 C 13.66 . . 756 73 73 ILE CG1 C 27.32 . . 757 73 73 ILE CG2 C 18.87 . . 758 73 73 ILE N N 125.59 . . 759 74 74 PHE H H 7.72 . . 760 74 74 PHE HA H 5.31 . . 761 74 74 PHE HB2 H 3.24 . . 762 74 74 PHE HB3 H 2.67 . . 763 74 74 PHE HD1 H 7.18 . . 764 74 74 PHE HD2 H 7.18 . . 765 74 74 PHE HE1 H 7.17 . . 766 74 74 PHE HE2 H 7.17 . . 767 74 74 PHE C C 174.03 . . 768 74 74 PHE CA C 54.89 . . 769 74 74 PHE CB C 40.95 . . 770 74 74 PHE N N 123.04 . . 771 75 75 ALA H H 9.02 . . 772 75 75 ALA HA H 5.78 . . 773 75 75 ALA HB H 1.23 . . 774 75 75 ALA C C 175.68 . . 775 75 75 ALA CA C 50.04 . . 776 75 75 ALA CB C 23.62 . . 777 75 75 ALA N N 125.27 . . 778 76 76 GLU H H 9.22 . . 779 76 76 GLU HA H 4.66 . . 780 76 76 GLU HB2 H 2.02 . . 781 76 76 GLU HB3 H 1.85 . . 782 76 76 GLU HG2 H 2.14 . . 783 76 76 GLU HG3 H 1.93 . . 784 76 76 GLU C C 173.99 . . 785 76 76 GLU CA C 54.32 . . 786 76 76 GLU CB C 34.36 . . 787 76 76 GLU CG C 35.95 . . 788 76 76 GLU N N 120.63 . . 789 77 77 SER H H 8.83 . . 790 77 77 SER HA H 5.42 . . 791 77 77 SER HB2 H 3.71 . . 792 77 77 SER HB3 H 3.98 . . 793 77 77 SER C C 172.69 . . 794 77 77 SER CA C 54.16 . . 795 77 77 SER CB C 63.65 . . 796 77 77 SER N N 117.71 . . 797 78 78 PRO HA H 4.75 . . 798 78 78 PRO HB2 H 2.10 . . 799 78 78 PRO HB3 H 1.95 . . 800 78 78 PRO HD2 H 3.76 . . 801 78 78 PRO HD3 H 3.76 . . 802 78 78 PRO HG2 H 1.52 . . 803 78 78 PRO HG3 H 1.63 . . 804 78 78 PRO CA C 61.68 . . 805 78 78 PRO CB C 32.18 . . 806 78 78 PRO CD C 50.37 . . 807 78 78 PRO CG C 26.85 . . 808 79 79 SER H H 8.76 . . 809 79 79 SER HA H 4.39 . . 810 79 79 SER HB2 H 4.24 . . 811 79 79 SER HB3 H 3.98 . . 812 79 79 SER C C 174.99 . . 813 79 79 SER CA C 57.45 . . 814 79 79 SER CB C 64.95 . . 815 79 79 SER N N 115.86 . . 816 80 80 GLU H H 9.00 . . 817 80 80 GLU HA H 3.63 . . 818 80 80 GLU HB2 H 1.96 . . 819 80 80 GLU HB3 H 1.96 . . 820 80 80 GLU HG2 H 2.33 . . 821 80 80 GLU HG3 H 2.33 . . 822 80 80 GLU C C 178.67 . . 823 80 80 GLU CA C 60.20 . . 824 80 80 GLU CB C 29.09 . . 825 80 80 GLU CG C 36.69 . . 826 80 80 GLU N N 121.34 . . 827 81 81 ASN H H 8.32 . . 828 81 81 ASN HA H 4.29 . . 829 81 81 ASN HB2 H 2.63 . . 830 81 81 ASN HB3 H 2.63 . . 831 81 81 ASN HD21 H 7.57 . . 832 81 81 ASN HD22 H 6.90 . . 833 81 81 ASN CA C 56.14 . . 834 81 81 ASN CB C 38.07 . . 835 81 81 ASN N N 115.98 . . 836 81 81 ASN ND2 N 112.90 . . 837 82 82 GLU H H 7.62 . . 838 82 82 GLU HA H 3.89 . . 839 82 82 GLU HB2 H 1.81 . . 840 82 82 GLU HB3 H 2.13 . . 841 82 82 GLU HG2 H 2.13 . . 842 82 82 GLU HG3 H 2.13 . . 843 82 82 GLU C C 178.91 . . 844 82 82 GLU CA C 59.00 . . 845 82 82 GLU CB C 29.64 . . 846 82 82 GLU CG C 37.05 . . 847 82 82 GLU N N 121.77 . . 848 83 83 VAL H H 7.65 . . 849 83 83 VAL HA H 2.95 . . 850 83 83 VAL HB H 1.45 . . 851 83 83 VAL HG1 H -0.48 . . 852 83 83 VAL HG2 H 0.11 . . 853 83 83 VAL C C 177.22 . . 854 83 83 VAL CA C 67.09 . . 855 83 83 VAL CB C 30.96 . . 856 83 83 VAL CG1 C 19.65 . . 857 83 83 VAL CG2 C 21.98 . . 858 83 83 VAL N N 119.25 . . 859 84 84 GLN H H 7.67 . . 860 84 84 GLN HA H 3.67 . . 861 84 84 GLN HB2 H 1.95 . . 862 84 84 GLN HB3 H 1.95 . . 863 84 84 GLN HE21 H 7.34 . . 864 84 84 GLN HE22 H 6.67 . . 865 84 84 GLN HG2 H 2.28 . . 866 84 84 GLN HG3 H 2.28 . . 867 84 84 GLN C C 177.94 . . 868 84 84 GLN CA C 58.62 . . 869 84 84 GLN CB C 27.77 . . 870 84 84 GLN CG C 33.59 . . 871 84 84 GLN N N 116.88 . . 872 84 84 GLN NE2 N 110.96 . . 873 85 85 SER H H 7.44 . . 874 85 85 SER HA H 4.08 . . 875 85 85 SER HB2 H 3.82 . . 876 85 85 SER HB3 H 3.82 . . 877 85 85 SER C C 176.11 . . 878 85 85 SER CA C 60.94 . . 879 85 85 SER CB C 62.95 . . 880 85 85 SER N N 112.86 . . 881 86 86 ILE H H 7.51 . . 882 86 86 ILE HA H 3.50 . . 883 86 86 ILE HB H 1.51 . . 884 86 86 ILE HD1 H 0.61 . . 885 86 86 ILE HG12 H 1.57 . . 886 86 86 ILE HG13 H 0.77 . . 887 86 86 ILE HG2 H 0.42 . . 888 86 86 ILE C C 177.09 . . 889 86 86 ILE CA C 64.03 . . 890 86 86 ILE CB C 38.63 . . 891 86 86 ILE CD1 C 14.26 . . 892 86 86 ILE CG1 C 28.74 . . 893 86 86 ILE CG2 C 17.38 . . 894 86 86 ILE N N 121.85 . . 895 87 87 MET H H 7.59 . . 896 87 87 MET HA H 3.94 . . 897 87 87 MET HB2 H 1.84 . . 898 87 87 MET HB3 H 1.59 . . 899 87 87 MET HG2 H 2.2 . . 900 87 87 MET HG3 H 2.1 . . 901 87 87 MET C C 176.12 . . 902 87 87 MET CA C 57.03 . . 903 87 87 MET CB C 32.69 . . 904 87 87 MET CE C 16.12 . . 905 87 87 MET CG C 32.25 . . 906 87 87 MET N N 115.71 . . 907 88 88 GLN H H 7.45 . . 908 88 88 GLN HA H 4.12 . . 909 88 88 GLN HB2 H 1.98 . . 910 88 88 GLN HB3 H 1.88 . . 911 88 88 GLN HE21 H 7.36 . . 912 88 88 GLN HE22 H 6.68 . . 913 88 88 GLN HG2 H 2.20 . . 914 88 88 GLN HG3 H 2.20 . . 915 88 88 GLN C C 174.76 . . 916 88 88 GLN CA C 56.03 . . 917 88 88 GLN CB C 28.61 . . 918 88 88 GLN CG C 33.71 . . 919 88 88 GLN N N 118.51 . . 920 88 88 GLN NE2 N 112.04 . . 921 89 89 HIS H H 7.62 . . 922 89 89 HIS HA H 4.32 . . 923 89 89 HIS HB2 H 3.09 . . 924 89 89 HIS HB3 H 2.96 . . 925 89 89 HIS C C 179.49 . . 926 89 89 HIS CA C 57.50 . . 927 89 89 HIS CB C 30.46 . . 928 89 89 HIS N N 125.17 . . stop_ save_