data_18042 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of EDC3:DCP2 ; _BMRB_accession_number 18042 _BMRB_flat_file_name bmr18042.str _Entry_type original _Submission_date 2011-11-07 _Accession_date 2011-11-07 _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 Truffault Vincent . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 540 "13C chemical shifts" 436 "15N chemical shifts" 101 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-01-23 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 18041 'Assigned NMR chemical shifts of EDC3-LSm domain' stop_ _Original_release_date 2012-01-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The structural basis of Edc3- and Scd6-mediated activation of the Dcp1:Dcp2 mRNA decapping complex.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22085934 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fromm Simon A. . 2 Truffault Vincent . . 3 Kamenz Julia . . 4 Braun Joerg E. . 5 Hoffmann Niklas A. . 6 Izaurralde Elisa . . 7 Sprangers Remco . . stop_ _Journal_abbreviation 'EMBO J.' _Journal_name_full 'The EMBO journal' _Journal_volume 31 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 279 _Page_last 290 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name EDC3_DCP2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label EDC3 $EDC3 DCP2 $DCP2 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_EDC3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common EDC3 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; MGMSVADFYGSNVEVLLNND SKARGVITNFDSSNSILQLR LANDSTKSIVTKDIKDLRIL PKNEIMPKNGTKSPSTNSTK LKSAETYSSKNKWSMD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 MET 2 0 GLY 3 1 MET 4 2 SER 5 3 VAL 6 4 ALA 7 5 ASP 8 6 PHE 9 7 TYR 10 8 GLY 11 9 SER 12 10 ASN 13 11 VAL 14 12 GLU 15 13 VAL 16 14 LEU 17 15 LEU 18 16 ASN 19 17 ASN 20 18 ASP 21 19 SER 22 20 LYS 23 21 ALA 24 22 ARG 25 23 GLY 26 24 VAL 27 25 ILE 28 26 THR 29 27 ASN 30 28 PHE 31 29 ASP 32 30 SER 33 31 SER 34 32 ASN 35 33 SER 36 34 ILE 37 35 LEU 38 36 GLN 39 37 LEU 40 38 ARG 41 39 LEU 42 40 ALA 43 41 ASN 44 42 ASP 45 43 SER 46 44 THR 47 45 LYS 48 46 SER 49 47 ILE 50 48 VAL 51 49 THR 52 50 LYS 53 51 ASP 54 52 ILE 55 53 LYS 56 54 ASP 57 55 LEU 58 56 ARG 59 57 ILE 60 58 LEU 61 59 PRO 62 60 LYS 63 61 ASN 64 62 GLU 65 63 ILE 66 64 MET 67 65 PRO 68 66 LYS 69 67 ASN 70 68 GLY 71 69 THR 72 70 LYS 73 71 SER 74 72 PRO 75 73 SER 76 74 THR 77 75 ASN 78 76 SER 79 77 THR 80 78 LYS 81 79 LEU 82 80 LYS 83 81 SER 84 82 ALA 85 83 GLU 86 84 THR 87 85 TYR 88 86 SER 89 87 SER 90 88 LYS 91 89 ASN 92 90 LYS 93 91 TRP 94 92 SER 95 93 MET 96 94 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 BMRB 18041 EDC3-LSm 100.00 125 100.00 100.00 2.68e-60 PDB 4A53 "Structural Basis Of The Dcp1:dcp2 Mrna Decapping Complex Activation By Edc3 And Scd6" 100.00 125 100.00 100.00 2.68e-60 PDB 4A54 "Structural Basis Of The Dcp1:dcp2 Mrna Decapping Complex Activation By Edc3 And Scd6" 100.00 96 100.00 100.00 3.24e-60 EMBL CAA22671 "enhancer of mRNA decapping Edc3 (predicted) [Schizosaccharomyces pombe]" 97.92 454 100.00 100.00 5.04e-55 REF NP_595858 "enhancer of mRNA decapping Edc3 (predicted) [Schizosaccharomyces pombe 972h-]" 97.92 454 100.00 100.00 5.04e-55 SP O94752 "RecName: Full=Enhancer of mRNA-decapping protein 3" 97.92 454 100.00 100.00 5.04e-55 stop_ save_ save_DCP2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DCP2 _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 48 _Mol_residue_sequence ; GATTKEKNISVDVDADASSQ LLSLLKSSTAPSDLATPQPS TFPQPPVE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 240 GLY 2 241 ALA 3 242 THR 4 243 THR 5 244 LYS 6 245 GLU 7 246 LYS 8 247 ASN 9 248 ILE 10 249 SER 11 250 VAL 12 251 ASP 13 252 VAL 14 253 ASP 15 254 ALA 16 255 ASP 17 256 ALA 18 257 SER 19 258 SER 20 259 GLN 21 260 LEU 22 261 LEU 23 262 SER 24 263 LEU 25 264 LEU 26 265 LYS 27 266 SER 28 267 SER 29 268 THR 30 269 ALA 31 270 PRO 32 271 SER 33 272 ASP 34 273 LEU 35 274 ALA 36 275 THR 37 276 PRO 38 277 GLN 39 278 PRO 40 279 SER 41 280 THR 42 281 PHE 43 282 PRO 44 283 GLN 45 284 PRO 46 285 PRO 47 286 VAL 48 287 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-06-12 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 4A54 "Structural Basis Of The Dcp1:dcp2 Mrna Decapping Complex Activation By Edc3 And Scd6" 100.00 52 100.00 100.00 3.83e-23 EMBL CAB11648 "mRNA decapping complex catalytic subunit Dcp2 [Schizosaccharomyces pombe]" 95.83 741 100.00 100.00 1.42e-11 REF NP_593780 "mRNA decapping complex catalytic subunit Dcp2 [Schizosaccharomyces pombe 972h-]" 95.83 741 100.00 100.00 1.42e-11 SP O13828 "RecName: Full=mRNA decapping complex subunit 2 [Schizosaccharomyces pombe 972h-]" 95.83 741 100.00 100.00 1.42e-11 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $EDC3 'E. coli' 562 Bacteria . Escherichia coli $DCP2 'E. coli' 562 Bacteria . Escherichia coli 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 $EDC3 'recombinant technology' . Escherichia coli . pET $DCP2 'recombinant technology' . Escherichia coli . pET 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 $EDC3 0.7 mM '[U-100% 15N]' $DCP2 0.7 mM '[U-100% 15N]' NaPO4 50 mM 'natural abundance' imidazole 10 mM 'natural abundance' NaCl 150 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _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_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 150 . mM pH 7.5 . pH pressure 1 . atm temperature 303 . 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 TMS C 13 'methyl carbons' ppm 2.6 na indirect . . . 1.0 TMS H 1 'methyl protons' ppm 0 na indirect . . . 1.0 TMS N 15 nitrogen ppm 0 na indirect . . . 1.0 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name EDC3 _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 3 MET HA H 4.5 0.02 1 2 1 3 MET HB2 H 2.0 0.02 1 3 1 3 MET HB3 H 2.0 0.02 1 4 1 3 MET HG2 H 2.5 0.02 1 5 1 3 MET HG3 H 2.5 0.02 1 6 1 3 MET HE H 1.91 0.02 1 7 1 3 MET C C 174.89 0.05 1 8 1 3 MET CA C 55.85 0.05 1 9 1 3 MET CB C 34.52 0.05 1 10 1 3 MET CG C 32.13 0.05 1 11 1 3 MET CE C 17.09 0.05 1 12 2 4 SER H H 8.81 0.02 1 13 2 4 SER HA H 4.84 0.02 1 14 2 4 SER HB2 H 3.81 0.02 1 15 2 4 SER HB3 H 4.01 0.02 1 16 2 4 SER C C 175.01 0.05 1 17 2 4 SER CA C 56.64 0.05 1 18 2 4 SER CB C 66.19 0.05 1 19 2 4 SER N N 117.56 0.05 1 20 3 5 VAL H H 8.83 0.02 1 21 3 5 VAL HA H 3.46 0.02 1 22 3 5 VAL HB H 1.85 0.02 1 23 3 5 VAL HG1 H 0.71 0.02 1 24 3 5 VAL HG2 H 0.52 0.02 1 25 3 5 VAL C C 176.86 0.05 1 26 3 5 VAL CA C 67.09 0.05 1 27 3 5 VAL CB C 30.84 0.05 1 28 3 5 VAL CG1 C 21.45 0.05 1 29 3 5 VAL CG2 C 23.16 0.05 1 30 3 5 VAL N N 122.80 0.05 1 31 4 6 ALA H H 7.77 0.02 1 32 4 6 ALA HA H 2.35 0.02 1 33 4 6 ALA HB H 1.00 0.02 1 34 4 6 ALA C C 179.72 0.05 1 35 4 6 ALA CA C 53.48 0.05 1 36 4 6 ALA CB C 17.84 0.05 1 37 4 6 ALA N N 119.05 0.05 1 38 5 7 ASP H H 7.47 0.02 1 39 5 7 ASP HA H 4.20 0.02 1 40 5 7 ASP HB2 H 2.60 0.02 1 41 5 7 ASP HB3 H 2.30 0.02 1 42 5 7 ASP C C 176.51 0.05 1 43 5 7 ASP CA C 56.78 0.05 1 44 5 7 ASP CB C 40.53 0.05 1 45 5 7 ASP N N 117.91 0.05 1 46 6 8 PHE H H 8.32 0.02 1 47 6 8 PHE HA H 4.41 0.02 1 48 6 8 PHE HB2 H 2.97 0.02 1 49 6 8 PHE HB3 H 3.22 0.02 1 50 6 8 PHE HD1 H 7.25 0.02 1 51 6 8 PHE HD2 H 7.25 0.02 1 52 6 8 PHE HE1 H 7.08 0.02 1 53 6 8 PHE HE2 H 7.08 0.02 1 54 6 8 PHE C C 176.82 0.05 1 55 6 8 PHE CA C 58.00 0.05 1 56 6 8 PHE CB C 39.52 0.05 1 57 6 8 PHE N N 115.26 0.05 1 58 7 9 TYR H H 7.52 0.02 1 59 7 9 TYR HA H 4.48 0.02 1 60 7 9 TYR HB2 H 3.20 0.02 1 61 7 9 TYR HB3 H 3.20 0.02 1 62 7 9 TYR HD1 H 7.00 0.02 1 63 7 9 TYR HD2 H 7.00 0.02 1 64 7 9 TYR HE1 H 6.75 0.02 1 65 7 9 TYR HE2 H 6.75 0.02 1 66 7 9 TYR C C 177.50 0.05 1 67 7 9 TYR CA C 56.73 0.05 1 68 7 9 TYR CB C 34.91 0.05 1 69 7 9 TYR N N 122.76 0.05 1 70 8 10 GLY H H 9.41 0.02 1 71 8 10 GLY HA2 H 3.50 0.02 1 72 8 10 GLY HA3 H 4.52 0.02 1 73 8 10 GLY C C 174.76 0.05 1 74 8 10 GLY CA C 45.02 0.05 1 75 8 10 GLY N N 112.02 0.05 1 76 9 11 SER H H 8.24 0.02 1 77 9 11 SER HA H 4.48 0.02 1 78 9 11 SER HB2 H 4.09 0.02 1 79 9 11 SER HB3 H 3.90 0.02 1 80 9 11 SER C C 172.28 0.05 1 81 9 11 SER CA C 60.38 0.05 1 82 9 11 SER CB C 63.84 0.05 1 83 9 11 SER N N 116.78 0.05 1 84 10 12 ASN H H 9.23 0.02 1 85 10 12 ASN HA H 5.08 0.02 1 86 10 12 ASN HB2 H 2.68 0.02 1 87 10 12 ASN HB3 H 2.68 0.02 1 88 10 12 ASN HD21 H 7.29 0.02 1 89 10 12 ASN HD22 H 6.59 0.02 1 90 10 12 ASN C C 174.61 0.05 1 91 10 12 ASN CA C 52.47 0.05 1 92 10 12 ASN CB C 39.90 0.05 1 93 10 12 ASN N N 125.04 0.05 1 94 10 12 ASN ND2 N 110.59 0.05 1 95 11 13 VAL H H 9.24 0.02 1 96 11 13 VAL HA H 5.35 0.02 1 97 11 13 VAL HB H 1.85 0.02 1 98 11 13 VAL HG1 H 0.80 0.02 1 99 11 13 VAL HG2 H 0.74 0.02 1 100 11 13 VAL C C 173.26 0.05 1 101 11 13 VAL CA C 58.63 0.05 1 102 11 13 VAL CB C 36.56 0.05 1 103 11 13 VAL CG1 C 22.47 0.05 1 104 11 13 VAL CG2 C 20.26 0.05 1 105 11 13 VAL N N 118.07 0.05 1 106 12 14 GLU H H 8.77 0.02 1 107 12 14 GLU HA H 5.13 0.02 1 108 12 14 GLU HB2 H 2.03 0.02 1 109 12 14 GLU HB3 H 1.85 0.02 1 110 12 14 GLU HG2 H 2.00 0.02 2 111 12 14 GLU HG3 H 1.91 0.02 2 112 12 14 GLU C C 175.23 0.05 1 113 12 14 GLU CA C 54.92 0.05 1 114 12 14 GLU CB C 33.73 0.05 1 115 12 14 GLU CG C 38.12 0.05 1 116 12 14 GLU N N 120.54 0.05 1 117 13 15 VAL H H 9.44 0.02 1 118 13 15 VAL HA H 4.50 0.02 1 119 13 15 VAL HB H 1.92 0.02 1 120 13 15 VAL HG1 H 0.86 0.02 1 121 13 15 VAL HG2 H 0.77 0.02 1 122 13 15 VAL C C 173.11 0.05 1 123 13 15 VAL CA C 60.47 0.05 1 124 13 15 VAL CB C 33.98 0.05 1 125 13 15 VAL CG1 C 23.12 0.05 1 126 13 15 VAL CG2 C 21.40 0.05 1 127 13 15 VAL N N 125.64 0.05 1 128 14 16 LEU H H 8.58 0.02 1 129 14 16 LEU HA H 4.89 0.02 1 130 14 16 LEU HB2 H 1.32 0.02 1 131 14 16 LEU HB3 H 1.69 0.02 1 132 14 16 LEU HG H 1.56 0.02 1 133 14 16 LEU HD1 H 0.87 0.02 1 134 14 16 LEU HD2 H 0.86 0.02 1 135 14 16 LEU C C 175.88 0.05 1 136 14 16 LEU CA C 53.66 0.05 1 137 14 16 LEU CB C 43.84 0.05 1 138 14 16 LEU CG C 27.67 0.05 1 139 14 16 LEU CD1 C 24.06 0.05 1 140 14 16 LEU CD2 C 26.20 0.05 1 141 14 16 LEU N N 127.95 0.05 1 142 15 17 LEU H H 8.99 0.02 1 143 15 17 LEU HA H 5.14 0.02 1 144 15 17 LEU HB2 H 1.95 0.02 1 145 15 17 LEU HB3 H 1.73 0.02 1 146 15 17 LEU HG H 1.56 0.02 1 147 15 17 LEU HD1 H 0.81 0.02 1 148 15 17 LEU HD2 H 0.73 0.02 1 149 15 17 LEU C C 178.89 0.05 1 150 15 17 LEU CA C 54.35 0.05 1 151 15 17 LEU CB C 42.07 0.05 1 152 15 17 LEU CG C 28.54 0.05 1 153 15 17 LEU CD1 C 24.88 0.05 1 154 15 17 LEU CD2 C 24.50 0.05 1 155 15 17 LEU N N 127.35 0.05 1 156 16 18 ASN H H 8.60 0.02 1 157 16 18 ASN HA H 4.35 0.02 1 158 16 18 ASN HB2 H 2.86 0.02 1 159 16 18 ASN HB3 H 2.79 0.02 1 160 16 18 ASN HD21 H 7.71 0.02 1 161 16 18 ASN HD22 H 6.59 0.02 1 162 16 18 ASN C C 175.62 0.05 1 163 16 18 ASN CA C 55.80 0.05 1 164 16 18 ASN CB C 37.82 0.05 1 165 16 18 ASN N N 118.72 0.05 1 166 16 18 ASN ND2 N 111.64 0.05 1 167 17 19 ASN H H 7.79 0.02 1 168 17 19 ASN HA H 4.63 0.02 1 169 17 19 ASN HB2 H 2.78 0.02 1 170 17 19 ASN HB3 H 3.29 0.02 1 171 17 19 ASN HD21 H 7.65 0.02 1 172 17 19 ASN HD22 H 6.80 0.02 1 173 17 19 ASN C C 175.38 0.05 1 174 17 19 ASN CA C 52.35 0.05 1 175 17 19 ASN CB C 36.84 0.05 1 176 17 19 ASN N N 116.36 0.05 1 177 17 19 ASN ND2 N 113.00 0.05 1 178 18 20 ASP H H 8.38 0.02 1 179 18 20 ASP HA H 4.44 0.02 1 180 18 20 ASP HB2 H 2.96 0.02 2 181 18 20 ASP HB3 H 2.79 0.02 2 182 18 20 ASP C C 175.05 0.05 1 183 18 20 ASP CA C 56.95 0.05 1 184 18 20 ASP CB C 38.84 0.05 1 185 18 20 ASP N N 113.77 0.05 1 186 19 21 SER H H 7.67 0.02 1 187 19 21 SER HA H 4.56 0.02 1 188 19 21 SER HB2 H 3.86 0.02 1 189 19 21 SER HB3 H 3.98 0.02 1 190 19 21 SER C C 172.09 0.05 1 191 19 21 SER CA C 58.47 0.05 1 192 19 21 SER CB C 64.91 0.05 1 193 19 21 SER N N 114.18 0.05 1 194 20 22 LYS H H 8.31 0.02 1 195 20 22 LYS HA H 5.58 0.02 1 196 20 22 LYS HB2 H 1.63 0.02 1 197 20 22 LYS HB3 H 1.63 0.02 1 198 20 22 LYS HG2 H 1.32 0.02 1 199 20 22 LYS HG3 H 1.32 0.02 1 200 20 22 LYS HD2 H 1.55 0.02 1 201 20 22 LYS HD3 H 1.55 0.02 1 202 20 22 LYS HE2 H 3.00 0.02 1 203 20 22 LYS HE3 H 3.00 0.02 1 204 20 22 LYS C C 176.25 0.05 1 205 20 22 LYS CA C 54.70 0.05 1 206 20 22 LYS CB C 36.86 0.05 1 207 20 22 LYS CG C 25.60 0.05 1 208 20 22 LYS CD C 29.92 0.05 1 209 20 22 LYS CE C 42.24 0.05 1 210 20 22 LYS N N 118.29 0.05 1 211 21 23 ALA H H 8.81 0.02 1 212 21 23 ALA HA H 4.73 0.02 1 213 21 23 ALA HB H 1.11 0.02 1 214 21 23 ALA C C 174.70 0.05 1 215 21 23 ALA CA C 50.80 0.05 1 216 21 23 ALA CB C 21.88 0.05 1 217 21 23 ALA N N 123.50 0.05 1 218 22 24 ARG H H 8.48 0.02 1 219 22 24 ARG HA H 5.66 0.02 1 220 22 24 ARG HB2 H 1.73 0.02 1 221 22 24 ARG HB3 H 1.82 0.02 1 222 22 24 ARG HG2 H 1.61 0.02 2 223 22 24 ARG HG3 H 1.55 0.02 2 224 22 24 ARG HD2 H 3.20 0.02 2 225 22 24 ARG HD3 H 3.12 0.02 2 226 22 24 ARG C C 174.92 0.05 1 227 22 24 ARG CA C 53.94 0.05 1 228 22 24 ARG CB C 33.75 0.05 1 229 22 24 ARG CG C 27.44 0.05 1 230 22 24 ARG CD C 43.82 0.05 1 231 22 24 ARG N N 121.42 0.05 1 232 23 25 GLY H H 8.71 0.02 1 233 23 25 GLY HA2 H 4.02 0.02 1 234 23 25 GLY HA3 H 4.26 0.02 1 235 23 25 GLY C C 170.38 0.05 1 236 23 25 GLY CA C 45.83 0.05 1 237 23 25 GLY N N 109.30 0.05 1 238 24 26 VAL H H 8.39 0.02 1 239 24 26 VAL HA H 4.90 0.02 1 240 24 26 VAL HB H 1.81 0.02 1 241 24 26 VAL HG1 H 0.77 0.02 1 242 24 26 VAL HG2 H 0.95 0.02 1 243 24 26 VAL C C 177.59 0.05 1 244 24 26 VAL CA C 60.40 0.05 1 245 24 26 VAL CB C 34.45 0.05 1 246 24 26 VAL CG1 C 21.09 0.05 1 247 24 26 VAL CG2 C 21.88 0.05 1 248 24 26 VAL N N 119.41 0.05 1 249 25 27 ILE H H 8.69 0.02 1 250 25 27 ILE HA H 4.19 0.02 1 251 25 27 ILE HB H 2.15 0.02 1 252 25 27 ILE HG12 H 1.96 0.02 1 253 25 27 ILE HG13 H 0.82 0.02 1 254 25 27 ILE HG2 H 0.95 0.02 1 255 25 27 ILE HD1 H 0.87 0.02 1 256 25 27 ILE C C 176.93 0.05 1 257 25 27 ILE CA C 63.69 0.05 1 258 25 27 ILE CB C 38.19 0.05 1 259 25 27 ILE CG1 C 28.13 0.05 1 260 25 27 ILE CG2 C 17.87 0.05 1 261 25 27 ILE CD1 C 14.37 0.05 1 262 25 27 ILE N N 125.41 0.05 1 263 26 28 THR H H 8.81 0.02 1 264 26 28 THR HA H 4.39 0.02 1 265 26 28 THR HB H 4.01 0.02 1 266 26 28 THR HG2 H 1.08 0.02 1 267 26 28 THR C C 174.09 0.05 1 268 26 28 THR CA C 61.42 0.05 1 269 26 28 THR CB C 69.62 0.05 1 270 26 28 THR CG2 C 22.77 0.05 1 271 26 28 THR N N 120.09 0.05 1 272 27 29 ASN H H 7.29 0.02 1 273 27 29 ASN HA H 4.12 0.02 1 274 27 29 ASN HB2 H 2.36 0.02 1 275 27 29 ASN HB3 H 2.72 0.02 1 276 27 29 ASN HD21 H 7.58 0.02 2 277 27 29 ASN HD22 H 6.8 0.02 2 278 27 29 ASN C C 172.03 0.05 1 279 27 29 ASN CA C 54.15 0.05 1 280 27 29 ASN CB C 42.19 0.05 1 281 27 29 ASN N N 116.08 0.05 1 282 28 30 PHE H H 8.21 0.02 1 283 28 30 PHE HA H 5.38 0.02 1 284 28 30 PHE HB2 H 2.98 0.02 1 285 28 30 PHE HB3 H 3.13 0.02 1 286 28 30 PHE HD1 H 7.13 0.02 1 287 28 30 PHE HD2 H 7.13 0.02 1 288 28 30 PHE HE1 H 6.74 0.02 1 289 28 30 PHE HE2 H 6.74 0.02 1 290 28 30 PHE C C 172.43 0.05 1 291 28 30 PHE CA C 56.52 0.05 1 292 28 30 PHE CB C 42.29 0.05 1 293 28 30 PHE N N 122.15 0.05 1 294 29 31 ASP H H 8.34 0.02 1 295 29 31 ASP HA H 4.67 0.02 1 296 29 31 ASP HB2 H 2.46 0.02 1 297 29 31 ASP HB3 H 2.79 0.02 1 298 29 31 ASP C C 175.94 0.05 1 299 29 31 ASP CA C 51.47 0.05 1 300 29 31 ASP CB C 41.58 0.05 1 301 29 31 ASP N N 127.86 0.05 1 302 30 32 SER H H 8.42 0.02 1 303 30 32 SER HA H 3.71 0.02 1 304 30 32 SER HB2 H 4.00 0.02 2 305 30 32 SER HB3 H 4.43 0.02 2 306 30 32 SER C C 176.24 0.05 1 307 30 32 SER CA C 60.13 0.05 1 308 30 32 SER CB C 63.03 0.05 1 309 30 32 SER N N 119.80 0.05 1 310 31 33 SER H H 8.31 0.02 1 311 31 33 SER HA H 4.40 0.02 1 312 31 33 SER HB3 H 3.88 0.02 2 313 31 33 SER C C 175.20 0.05 1 314 31 33 SER CA C 61.36 0.05 1 315 31 33 SER CB C 62.77 0.05 1 316 31 33 SER N N 118.60 0.05 1 317 32 34 ASN H H 7.29 0.02 1 318 32 34 ASN HA H 4.81 0.02 1 319 32 34 ASN HB2 H 2.31 0.02 1 320 32 34 ASN HB3 H 2.70 0.02 1 321 32 34 ASN HD21 H 8.28 0.02 1 322 32 34 ASN HD22 H 6.81 0.02 1 323 32 34 ASN C C 173.62 0.05 1 324 32 34 ASN CA C 52.74 0.05 1 325 32 34 ASN CB C 40.00 0.05 1 326 32 34 ASN N N 116.35 0.05 1 327 32 34 ASN ND2 N 116.26 0.05 1 328 33 35 SER H H 7.67 0.02 1 329 33 35 SER HA H 3.79 0.02 1 330 33 35 SER HB2 H 4.51 0.02 2 331 33 35 SER HB3 H 4.03 0.02 2 332 33 35 SER C C 172.82 0.05 1 333 33 35 SER CA C 59.34 0.05 1 334 33 35 SER CB C 61.65 0.05 1 335 33 35 SER N N 115.41 0.05 1 336 34 36 ILE H H 7.38 0.02 1 337 34 36 ILE HA H 4.78 0.02 1 338 34 36 ILE HB H 1.58 0.02 1 339 34 36 ILE HG12 H 0.86 0.02 1 340 34 36 ILE HG13 H 1.46 0.02 1 341 34 36 ILE HG2 H 0.76 0.02 1 342 34 36 ILE HD1 H 0.73 0.02 1 343 34 36 ILE C C 174.69 0.05 1 344 34 36 ILE CA C 59.53 0.05 1 345 34 36 ILE CB C 41.13 0.05 1 346 34 36 ILE CG1 C 27.47 0.05 1 347 34 36 ILE CG2 C 18.00 0.05 1 348 34 36 ILE CD1 C 12.83 0.05 1 349 34 36 ILE N N 117.10 0.05 1 350 35 37 LEU H H 9.60 0.02 1 351 35 37 LEU HA H 4.98 0.02 1 352 35 37 LEU HB2 H 1.28 0.02 1 353 35 37 LEU HB3 H 2.05 0.02 1 354 35 37 LEU HG H 1.50 0.02 1 355 35 37 LEU HD1 H 0.68 0.02 1 356 35 37 LEU HD2 H 1.03 0.02 1 357 35 37 LEU C C 173.81 0.05 1 358 35 37 LEU CA C 53.72 0.05 1 359 35 37 LEU CB C 45.83 0.05 1 360 35 37 LEU CG C 26.96 0.05 1 361 35 37 LEU CD1 C 25.92 0.05 1 362 35 37 LEU CD2 C 24.13 0.05 1 363 35 37 LEU N N 131.62 0.05 1 364 36 38 GLN H H 8.88 0.02 1 365 36 38 GLN HA H 5.30 0.02 1 366 36 38 GLN HB2 H 1.90 0.02 1 367 36 38 GLN HB3 H 1.75 0.02 1 368 36 38 GLN HG2 H 2.22 0.02 2 369 36 38 GLN HG3 H 2.07 0.02 2 370 36 38 GLN HE21 H 7.10 0.02 1 371 36 38 GLN HE22 H 6.77 0.02 1 372 36 38 GLN C C 174.32 0.05 1 373 36 38 GLN CA C 54.99 0.05 1 374 36 38 GLN CB C 31.47 0.05 1 375 36 38 GLN CG C 34.75 0.05 1 376 36 38 GLN N N 125.91 0.05 1 377 36 38 GLN NE2 N 111.35 0.05 1 378 37 39 LEU H H 8.80 0.02 1 379 37 39 LEU HA H 5.24 0.02 1 380 37 39 LEU HB2 H 1.45 0.02 1 381 37 39 LEU HB3 H 1.03 0.02 1 382 37 39 LEU HG H 1.37 0.02 1 383 37 39 LEU HD1 H 0.49 0.02 1 384 37 39 LEU HD2 H 0.52 0.02 1 385 37 39 LEU C C 175.91 0.05 1 386 37 39 LEU CA C 52.13 0.05 1 387 37 39 LEU CB C 46.36 0.05 1 388 37 39 LEU CG C 27.13 0.05 1 389 37 39 LEU CD1 C 25.39 0.05 1 390 37 39 LEU CD2 C 24.22 0.05 1 391 37 39 LEU N N 122.64 0.05 1 392 38 40 ARG H H 9.49 0.02 1 393 38 40 ARG HA H 4.89 0.02 1 394 38 40 ARG HB2 H 1.74 0.02 2 395 38 40 ARG HB3 H 1.71 0.02 2 396 38 40 ARG HG2 H 1.72 0.02 2 397 38 40 ARG HG3 H 1.50 0.02 2 398 38 40 ARG HD2 H 3.22 0.02 2 399 38 40 ARG HD3 H 3.16 0.02 2 400 38 40 ARG C C 176.66 0.05 1 401 38 40 ARG CA C 55.17 0.05 1 402 38 40 ARG CB C 31.29 0.05 1 403 38 40 ARG CG C 27.34 0.05 1 404 38 40 ARG CD C 43.25 0.05 1 405 38 40 ARG N N 123.35 0.05 1 406 39 41 LEU H H 9.03 0.02 1 407 39 41 LEU HA H 4.69 0.02 1 408 39 41 LEU HB2 H 1.83 0.02 1 409 39 41 LEU HB3 H 1.83 0.02 1 410 39 41 LEU HG H 1.63 0.02 1 411 39 41 LEU HD1 H 0.86 0.02 1 412 39 41 LEU HD2 H 0.86 0.02 1 413 39 41 LEU C C 178.57 0.05 1 414 39 41 LEU CA C 54.72 0.05 1 415 39 41 LEU CB C 42.27 0.05 1 416 39 41 LEU CG C 27.44 0.05 1 417 39 41 LEU CD1 C 23.33 0.05 1 418 39 41 LEU CD2 C 25.67 0.05 1 419 39 41 LEU N N 128.85 0.05 1 420 40 42 ALA H H 8.69 0.02 1 421 40 42 ALA HA H 4.16 0.02 1 422 40 42 ALA HB H 1.47 0.02 1 423 40 42 ALA C C 177.67 0.05 1 424 40 42 ALA CA C 54.70 0.05 1 425 40 42 ALA CB C 18.39 0.05 1 426 40 42 ALA N N 122.70 0.05 1 427 41 43 ASN H H 7.65 0.02 1 428 41 43 ASN HA H 4.63 0.02 1 429 41 43 ASN HB2 H 3.3 0.02 2 430 41 43 ASN HB3 H 2.8 0.02 2 431 41 43 ASN C C 175.56 0.05 1 432 41 43 ASN CA C 52.31 0.05 1 433 41 43 ASN CB C 37.02 0.05 1 434 41 43 ASN N N 113.57 0.05 1 435 42 44 ASP H H 8.32 0.02 1 436 42 44 ASP HA H 4.29 0.02 1 437 42 44 ASP HB2 H 3.00 0.02 2 438 42 44 ASP HB3 H 2.92 0.02 2 439 42 44 ASP C C 175.22 0.05 1 440 42 44 ASP CA C 56.80 0.05 1 441 42 44 ASP CB C 39.52 0.05 1 442 42 44 ASP N N 114.05 0.05 1 443 43 45 SER H H 7.66 0.02 1 444 43 45 SER HA H 4.60 0.02 1 445 43 45 SER HB2 H 3.86 0.02 1 446 43 45 SER HB3 H 3.99 0.02 1 447 43 45 SER C C 172.62 0.05 1 448 43 45 SER CA C 58.40 0.05 1 449 43 45 SER CB C 64.69 0.05 1 450 43 45 SER N N 114.70 0.05 1 451 44 46 THR H H 8.44 0.02 1 452 44 46 THR HA H 5.28 0.02 1 453 44 46 THR HB H 3.96 0.02 1 454 44 46 THR HG2 H 1.02 0.02 1 455 44 46 THR C C 174.16 0.05 1 456 44 46 THR CA C 61.16 0.05 1 457 44 46 THR CB C 70.94 0.05 1 458 44 46 THR CG2 C 21.51 0.05 1 459 44 46 THR N N 114.41 0.05 1 460 45 47 LYS H H 9.19 0.02 1 461 45 47 LYS HA H 4.67 0.02 1 462 45 47 LYS HB2 H 1.65 0.02 1 463 45 47 LYS HB3 H 1.65 0.02 1 464 45 47 LYS HG2 H 1.4 0.02 2 465 45 47 LYS HG3 H 1.2 0.02 2 466 45 47 LYS HD2 H 1.54 0.02 1 467 45 47 LYS HD3 H 1.54 0.02 1 468 45 47 LYS HE2 H 3.0 0.02 1 469 45 47 LYS HE3 H 3.0 0.02 1 470 45 47 LYS C C 174.34 0.05 1 471 45 47 LYS CA C 54.69 0.05 1 472 45 47 LYS CB C 36.72 0.05 1 473 45 47 LYS CG C 25.05 0.05 1 474 45 47 LYS CD C 29.33 0.05 1 475 45 47 LYS CE C 42.10 0.05 1 476 45 47 LYS N N 127.21 0.05 1 477 46 48 SER H H 8.76 0.02 1 478 46 48 SER HA H 5.05 0.02 1 479 46 48 SER HB2 H 3.65 0.02 1 480 46 48 SER HB3 H 3.75 0.02 1 481 46 48 SER C C 173.42 0.05 1 482 46 48 SER CA C 58.03 0.05 1 483 46 48 SER CB C 63.98 0.05 1 484 46 48 SER N N 123.24 0.05 1 485 47 49 ILE H H 9.39 0.02 1 486 47 49 ILE HA H 4.35 0.02 1 487 47 49 ILE HB H 1.72 0.02 1 488 47 49 ILE HG12 H 1.00 0.02 1 489 47 49 ILE HG13 H 1.35 0.02 1 490 47 49 ILE HG2 H 0.77 0.02 1 491 47 49 ILE HD1 H 0.64 0.02 1 492 47 49 ILE C C 174.89 0.05 1 493 47 49 ILE CA C 59.59 0.05 1 494 47 49 ILE CB C 41.99 0.05 1 495 47 49 ILE CG1 C 27.30 0.05 1 496 47 49 ILE CG2 C 18.13 0.05 1 497 47 49 ILE CD1 C 14.00 0.05 1 498 47 49 ILE N N 126.61 0.05 1 499 48 50 VAL H H 9.05 0.02 1 500 48 50 VAL HA H 4.68 0.02 1 501 48 50 VAL HB H 2.19 0.02 1 502 48 50 VAL HG1 H 1.09 0.02 1 503 48 50 VAL HG2 H 1.10 0.02 1 504 48 50 VAL C C 179.48 0.05 1 505 48 50 VAL CA C 61.88 0.05 1 506 48 50 VAL CB C 31.41 0.05 1 507 48 50 VAL CG1 C 22.31 0.05 1 508 48 50 VAL CG2 C 21.76 0.05 1 509 48 50 VAL N N 128.74 0.05 1 510 49 51 THR H H 8.81 0.02 1 511 49 51 THR HA H 3.74 0.02 1 512 49 51 THR HB H 4.19 0.02 1 513 49 51 THR HG2 H 1.43 0.02 1 514 49 51 THR C C 177.41 0.05 1 515 49 51 THR CA C 66.33 0.05 1 516 49 51 THR CB C 67.71 0.05 1 517 49 51 THR CG2 C 24.11 0.05 1 518 49 51 THR N N 118.68 0.05 1 519 50 52 LYS H H 7.59 0.02 1 520 50 52 LYS HA H 4.23 0.02 1 521 50 52 LYS HB2 H 1.89 0.02 1 522 50 52 LYS HB3 H 1.89 0.02 1 523 50 52 LYS HG2 H 1.41 0.02 1 524 50 52 LYS HG3 H 1.41 0.02 1 525 50 52 LYS HD2 H 1.73 0.02 1 526 50 52 LYS HD3 H 1.73 0.02 1 527 50 52 LYS HE2 H 3.04 0.02 1 528 50 52 LYS HE3 H 3.04 0.02 1 529 50 52 LYS C C 176.16 0.05 1 530 50 52 LYS CA C 58.19 0.05 1 531 50 52 LYS CB C 31.77 0.05 1 532 50 52 LYS CG C 24.29 0.05 1 533 50 52 LYS CD C 29.28 0.05 1 534 50 52 LYS CE C 42.03 0.05 1 535 50 52 LYS N N 119.66 0.05 1 536 51 53 ASP H H 7.91 0.02 1 537 51 53 ASP HA H 4.76 0.02 1 538 51 53 ASP HB2 H 3.01 0.02 1 539 51 53 ASP HB3 H 2.75 0.02 1 540 51 53 ASP C C 175.26 0.05 1 541 51 53 ASP CA C 54.72 0.05 1 542 51 53 ASP CB C 41.24 0.05 1 543 51 53 ASP N N 118.01 0.05 1 544 52 54 ILE H H 7.42 0.02 1 545 52 54 ILE HA H 3.69 0.02 1 546 52 54 ILE HB H 1.82 0.02 1 547 52 54 ILE HG12 H 0.56 0.02 1 548 52 54 ILE HG13 H 1.76 0.02 1 549 52 54 ILE HG2 H 0.65 0.02 1 550 52 54 ILE HD1 H 0.66 0.02 1 551 52 54 ILE C C 174.34 0.05 1 552 52 54 ILE CA C 63.63 0.05 1 553 52 54 ILE CB C 38.63 0.05 1 554 52 54 ILE CG1 C 27.89 0.05 1 555 52 54 ILE CG2 C 17.31 0.05 1 556 52 54 ILE CD1 C 14.35 0.05 1 557 52 54 ILE N N 118.69 0.05 1 558 53 55 LYS H H 9.38 0.02 1 559 53 55 LYS HA H 4.39 0.02 1 560 53 55 LYS HB2 H 1.62 0.02 1 561 53 55 LYS HB3 H 1.49 0.02 1 562 53 55 LYS HG2 H 1.4 0.02 1 563 53 55 LYS HG3 H 1.4 0.02 1 564 53 55 LYS HD2 H 1.71 0.02 2 565 53 55 LYS HD3 H 1.64 0.02 2 566 53 55 LYS HE2 H 2.98 0.02 1 567 53 55 LYS HE3 H 2.98 0.02 1 568 53 55 LYS C C 175.78 0.05 1 569 53 55 LYS CA C 57.30 0.05 1 570 53 55 LYS CB C 34.20 0.05 1 571 53 55 LYS CG C 24.93 0.05 1 572 53 55 LYS CD C 30.18 0.05 1 573 53 55 LYS CE C 41.60 0.05 1 574 53 55 LYS N N 130.06 0.05 1 575 54 56 ASP H H 8.32 0.02 1 576 54 56 ASP HA H 4.81 0.02 1 577 54 56 ASP HB2 H 2.57 0.02 1 578 54 56 ASP HB3 H 2.52 0.02 1 579 54 56 ASP C C 173.28 0.05 1 580 54 56 ASP CA C 52.94 0.05 1 581 54 56 ASP CB C 44.59 0.05 1 582 54 56 ASP N N 116.75 0.05 1 583 55 57 LEU H H 8.70 0.02 1 584 55 57 LEU HA H 5.08 0.02 1 585 55 57 LEU HB2 H 1.59 0.02 1 586 55 57 LEU HB3 H 1.48 0.02 1 587 55 57 LEU HG H 1.50 0.02 1 588 55 57 LEU HD1 H 0.63 0.02 1 589 55 57 LEU HD2 H 0.63 0.02 1 590 55 57 LEU C C 173.75 0.05 1 591 55 57 LEU CA C 55.23 0.05 1 592 55 57 LEU CB C 46.20 0.05 1 593 55 57 LEU CG C 26.82 0.05 1 594 55 57 LEU CD1 C 26.74 0.05 1 595 55 57 LEU CD2 C 26.74 0.05 1 596 55 57 LEU N N 120.37 0.05 1 597 56 58 ARG H H 8.79 0.02 1 598 56 58 ARG HA H 4.68 0.02 1 599 56 58 ARG HB2 H 1.78 0.02 2 600 56 58 ARG HB3 H 1.68 0.02 2 601 56 58 ARG HG2 H 1.60 0.02 2 602 56 58 ARG HG3 H 1.55 0.02 2 603 56 58 ARG HD2 H 3.18 0.02 2 604 56 58 ARG HD3 H 3.12 0.02 2 605 56 58 ARG HE H 7.29 0.02 1 606 56 58 ARG C C 174.64 0.05 1 607 56 58 ARG CA C 54.47 0.05 1 608 56 58 ARG CB C 33.67 0.05 1 609 56 58 ARG CG C 26.97 0.05 1 610 56 58 ARG CD C 43.40 0.05 1 611 56 58 ARG N N 121.33 0.05 1 612 57 59 ILE H H 8.54 0.02 1 613 57 59 ILE HA H 4.33 0.02 1 614 57 59 ILE HB H 1.69 0.02 1 615 57 59 ILE HG12 H 1.54 0.02 1 616 57 59 ILE HG13 H 0.85 0.02 1 617 57 59 ILE HG2 H 1.04 0.02 1 618 57 59 ILE HD1 H 0.84 0.02 1 619 57 59 ILE C C 175.61 0.05 1 620 57 59 ILE CA C 61.73 0.05 1 621 57 59 ILE CB C 38.08 0.05 1 622 57 59 ILE CG1 C 28.61 0.05 1 623 57 59 ILE CG2 C 17.48 0.05 1 624 57 59 ILE CD1 C 13.42 0.05 1 625 57 59 ILE N N 125.49 0.05 1 626 58 60 LEU H H 8.75 0.02 1 627 58 60 LEU HA H 4.65 0.02 1 628 58 60 LEU HB2 H 1.43 0.02 1 629 58 60 LEU HB3 H 1.43 0.02 1 630 58 60 LEU HG H 1.56 0.02 1 631 58 60 LEU HD1 H 0.75 0.02 2 632 58 60 LEU HD2 H 0.72 0.02 2 633 58 60 LEU C C 174.25 0.05 1 634 58 60 LEU CA C 52.40 0.05 1 635 58 60 LEU CB C 41.58 0.05 1 636 58 60 LEU CG C 27.08 0.05 1 637 58 60 LEU CD1 C 22.64 0.05 2 638 58 60 LEU CD2 C 25.53 0.05 2 639 58 60 LEU N N 130.77 0.05 1 640 59 61 PRO HA H 4.81 0.02 1 641 59 61 PRO HB2 H 2.39 0.02 2 642 59 61 PRO HB3 H 2.15 0.02 2 643 59 61 PRO HG2 H 1.94 0.02 2 644 59 61 PRO HG3 H 1.84 0.02 2 645 59 61 PRO HD2 H 3.58 0.02 2 646 59 61 PRO HD3 H 3.49 0.02 2 647 59 61 PRO CA C 62.75 0.05 1 648 59 61 PRO CB C 34.37 0.05 1 649 59 61 PRO CG C 24.87 0.05 1 650 59 61 PRO CD C 50.49 0.05 1 651 60 62 LYS CA C 57.86 0.05 1 652 61 63 ASN HA H 4.7 0.02 1 653 61 63 ASN HB3 H 2.8 0.02 2 654 61 63 ASN C C 174.91 0.05 1 655 61 63 ASN CA C 53.30 0.05 1 656 61 63 ASN CB C 38.63 0.05 1 657 62 64 GLU H H 8.14 0.02 1 658 62 64 GLU HA H 4.28 0.02 1 659 62 64 GLU HB2 H 2.02 0.02 2 660 62 64 GLU HB3 H 1.91 0.02 2 661 62 64 GLU HG2 H 2.00 0.02 2 662 62 64 GLU HG3 H 1.90 0.02 2 663 62 64 GLU C C 176.03 0.05 1 664 62 64 GLU CA C 56.61 0.05 1 665 62 64 GLU CB C 30.47 0.05 1 666 62 64 GLU CG C 36.33 0.05 1 667 62 64 GLU N N 121.00 0.05 1 668 63 65 ILE H H 7.99 0.02 1 669 63 65 ILE HA H 4.12 0.02 1 670 63 65 ILE HB H 1.83 0.02 1 671 63 65 ILE HG12 H 1.43 0.02 2 672 63 65 ILE HG13 H 1.16 0.02 2 673 63 65 ILE HG2 H 0.89 0.02 1 674 63 65 ILE HD1 H 0.84 0.02 1 675 63 65 ILE C C 175.88 0.05 1 676 63 65 ILE CA C 61.02 0.05 1 677 63 65 ILE CB C 38.47 0.05 1 678 63 65 ILE CG1 C 27.32 0.05 1 679 63 65 ILE CG2 C 17.62 0.05 1 680 63 65 ILE CD1 C 12.89 0.05 1 681 63 65 ILE N N 121.42 0.05 1 682 64 66 MET H H 8.31 0.02 1 683 64 66 MET HA H 4.79 0.02 1 684 64 66 MET HB2 H 2.04 0.02 2 685 64 66 MET HB3 H 1.96 0.02 2 686 64 66 MET C C 173.86 0.05 1 687 64 66 MET CA C 53.04 0.05 1 688 64 66 MET CB C 32.49 0.05 1 689 64 66 MET N N 125.35 0.05 1 690 73 75 SER HA H 4.1 0.02 1 691 73 75 SER HB3 H 4.0 0.02 2 692 73 75 SER C C 174.55 0.05 1 693 73 75 SER CA C 58.70 0.05 1 694 73 75 SER CB C 63.79 0.05 1 695 74 76 THR H H 8.03 0.02 1 696 74 76 THR CA C 61.67 0.05 1 697 74 76 THR CB C 69.83 0.05 1 698 74 76 THR CG2 C 21.55 0.05 1 699 74 76 THR N N 115.94 0.05 1 700 75 77 ASN H H 8.12 0.02 1 701 75 77 ASN HA H 4.90 0.02 1 702 75 77 ASN HB2 H 3.19 0.02 2 703 75 77 ASN HB3 H 2.94 0.02 2 704 75 77 ASN C C 173.65 0.05 1 705 75 77 ASN CA C 55.50 0.05 1 706 75 77 ASN CB C 38.99 0.05 1 707 75 77 ASN N N 123.09 0.05 1 708 78 80 LYS HB3 H 1.6 0.02 2 709 78 80 LYS HG3 H 1.4 0.02 2 710 78 80 LYS HD3 H 1.6 0.02 2 711 78 80 LYS HE3 H 3.0 0.02 2 712 78 80 LYS C C 176.43 0.05 1 713 78 80 LYS CA C 56.38 0.05 1 714 78 80 LYS CB C 32.76 0.05 1 715 78 80 LYS CG C 24.72 0.05 1 716 78 80 LYS CD C 29.08 0.05 1 717 78 80 LYS CE C 42.12 0.05 1 718 79 81 LEU H H 8.10 0.02 1 719 79 81 LEU HA H 4.28 0.02 1 720 79 81 LEU HB2 H 1.57 0.02 1 721 79 81 LEU HB3 H 1.57 0.02 1 722 79 81 LEU HG H 1.62 0.02 1 723 79 81 LEU HD1 H 0.86 0.02 2 724 79 81 LEU HD2 H 0.91 0.02 2 725 79 81 LEU C C 177.31 0.05 1 726 79 81 LEU CA C 55.28 0.05 1 727 79 81 LEU CB C 42.30 0.05 1 728 79 81 LEU CG C 27.10 0.05 1 729 79 81 LEU CD1 C 23.56 0.05 2 730 79 81 LEU CD2 C 24.82 0.05 2 731 79 81 LEU N N 123.10 0.05 1 732 80 82 LYS H H 8.28 0.02 1 733 80 82 LYS C C 176.58 0.05 1 734 80 82 LYS CA C 56.48 0.05 1 735 80 82 LYS N N 122.23 0.05 1 736 82 84 ALA HA H 4.26 0.02 1 737 82 84 ALA HB H 1.44 0.02 1 738 82 84 ALA C C 177.77 0.05 1 739 82 84 ALA CA C 52.90 0.05 1 740 82 84 ALA CB C 19.20 0.05 1 741 83 85 GLU H H 8.30 0.02 1 742 83 85 GLU HA H 4.29 0.02 1 743 83 85 GLU HB3 H 2.22 0.02 2 744 83 85 GLU HG3 H 2.24 0.02 2 745 83 85 GLU C C 176.74 0.05 1 746 83 85 GLU CA C 56.77 0.05 1 747 83 85 GLU CB C 30.15 0.05 1 748 83 85 GLU CG C 36.27 0.05 1 749 83 85 GLU N N 119.70 0.05 1 750 84 86 THR H H 8.03 0.02 1 751 84 86 THR CA C 62.00 0.05 1 752 84 86 THR CB C 69.88 0.05 1 753 84 86 THR CG2 C 21.52 0.05 1 754 84 86 THR N N 114.49 0.05 1 755 85 87 TYR H H 8.15 0.02 1 756 85 87 TYR HA H 4.58 0.02 1 757 85 87 TYR HB2 H 2.97 0.02 1 758 85 87 TYR HB3 H 2.97 0.02 1 759 85 87 TYR HD1 H 7.10 0.02 1 760 85 87 TYR HD2 H 7.10 0.02 1 761 85 87 TYR HE1 H 7.00 0.02 1 762 85 87 TYR HE2 H 7.00 0.02 1 763 85 87 TYR C C 173.85 0.05 1 764 85 87 TYR CA C 55.45 0.05 1 765 85 87 TYR CB C 41.29 0.05 1 766 85 87 TYR N N 123.27 0.05 1 767 90 92 LYS HB3 H 1.6 0.02 2 768 90 92 LYS HG3 H 1.4 0.02 2 769 90 92 LYS HD3 H 1.6 0.02 2 770 90 92 LYS HE3 H 3.0 0.02 2 771 90 92 LYS C C 176.03 0.05 1 772 90 92 LYS CA C 56.74 0.05 1 773 90 92 LYS CB C 32.86 0.05 1 774 90 92 LYS CG C 24.32 0.05 1 775 90 92 LYS CD C 29.09 0.05 1 776 90 92 LYS CE C 42.00 0.05 1 777 91 93 TRP H H 8.00 0.02 1 778 91 93 TRP HA H 4.71 0.02 1 779 91 93 TRP HB2 H 3.34 0.02 2 780 91 93 TRP HB3 H 3.23 0.02 2 781 91 93 TRP HD1 H 7.25 0.02 1 782 91 93 TRP HE1 H 10.11 0.02 1 783 91 93 TRP HE3 H 7.61 0.02 1 784 91 93 TRP HZ2 H 7.46 0.02 1 785 91 93 TRP C C 175.94 0.05 1 786 91 93 TRP CA C 56.96 0.05 1 787 91 93 TRP CB C 29.44 0.05 1 788 91 93 TRP N N 120.88 0.05 1 789 92 94 SER H H 7.90 0.02 1 790 92 94 SER C C 173.94 0.05 1 791 92 94 SER CA C 58.11 0.05 1 792 92 94 SER CB C 64.01 0.05 1 793 92 94 SER N N 116.58 0.05 1 794 93 95 MET H H 8.23 0.02 1 795 93 95 MET HA H 4.4 0.02 1 796 93 95 MET HB3 H 2.1 0.02 2 797 93 95 MET C C 174.94 0.05 1 798 93 95 MET CA C 55.39 0.05 1 799 93 95 MET CB C 32.94 0.05 1 800 93 95 MET CG C 33.55 0.05 1 801 93 95 MET N N 122.27 0.05 1 802 94 96 ASP H H 7.89 0.02 1 803 94 96 ASP HA H 4.36 0.02 1 804 94 96 ASP HB2 H 2.66 0.02 2 805 94 96 ASP HB3 H 2.53 0.02 2 806 94 96 ASP C C 180.75 0.05 1 807 94 96 ASP CA C 55.86 0.05 1 808 94 96 ASP CB C 42.26 0.05 1 809 94 96 ASP N N 126.46 0.05 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name DCP2 _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 1 247 8 ASN HA H 4.66 0.02 1 2 247 8 ASN HB3 H 2.8 0.02 2 3 247 8 ASN C C 174.90 0.05 1 4 247 8 ASN CA C 53.24 0.05 1 5 247 8 ASN CB C 38.86 0.05 1 6 248 9 ILE H H 8.05 0.02 1 7 248 9 ILE HA H 4.22 0.02 1 8 248 9 ILE HB H 1.88 0.02 1 9 248 9 ILE HG12 H 1.4 0.02 2 10 248 9 ILE HG13 H 1.1 0.02 2 11 248 9 ILE HG2 H 0.89 0.02 1 12 248 9 ILE HD1 H 0.83 0.02 1 13 248 9 ILE C C 175.97 0.05 1 14 248 9 ILE CA C 61.12 0.05 1 15 248 9 ILE CB C 38.91 0.05 1 16 248 9 ILE CG1 C 27.14 0.05 1 17 248 9 ILE CG2 C 17.68 0.05 1 18 248 9 ILE CD1 C 13.14 0.05 1 19 248 9 ILE N N 120.71 0.05 1 20 249 10 SER H H 8.33 0.02 1 21 249 10 SER HA H 4.51 0.02 1 22 249 10 SER HB3 H 3.84 0.02 2 23 249 10 SER C C 174.27 0.05 1 24 249 10 SER CA C 58.16 0.05 1 25 249 10 SER CB C 63.89 0.05 1 26 249 10 SER N N 119.71 0.05 1 27 250 11 VAL H H 8.07 0.02 1 28 250 11 VAL HA H 4.16 0.02 1 29 250 11 VAL HB H 2.08 0.02 1 30 250 11 VAL HG1 H 0.90 0.02 2 31 250 11 VAL HG2 H 0.92 0.02 2 32 250 11 VAL C C 175.46 0.05 1 33 250 11 VAL CA C 62.07 0.05 1 34 250 11 VAL CB C 32.84 0.05 1 35 250 11 VAL CG1 C 20.33 0.05 2 36 250 11 VAL CG2 C 21.05 0.05 2 37 250 11 VAL N N 121.09 0.05 1 38 251 12 ASP H H 8.33 0.02 1 39 251 12 ASP HA H 4.66 0.02 1 40 251 12 ASP HB2 H 2.73 0.02 2 41 251 12 ASP HB3 H 2.56 0.02 2 42 251 12 ASP C C 176.24 0.05 1 43 251 12 ASP CA C 54.17 0.05 1 44 251 12 ASP CB C 41.25 0.05 1 45 251 12 ASP N N 123.79 0.05 1 46 252 13 VAL H H 8.06 0.02 1 47 252 13 VAL HA H 4.08 0.02 1 48 252 13 VAL HB H 2.11 0.02 1 49 252 13 VAL HG1 H 0.93 0.02 2 50 252 13 VAL HG2 H 0.94 0.02 2 51 252 13 VAL C C 176.01 0.05 1 52 252 13 VAL CA C 62.71 0.05 1 53 252 13 VAL CB C 32.61 0.05 1 54 252 13 VAL CG1 C 20.41 0.05 2 55 252 13 VAL CG2 C 21.21 0.05 2 56 252 13 VAL N N 119.89 0.05 1 57 253 14 ASP H H 8.29 0.02 1 58 253 14 ASP HA H 4.64 0.02 1 59 253 14 ASP HB2 H 2.77 0.02 2 60 253 14 ASP HB3 H 2.59 0.02 2 61 253 14 ASP C C 176.45 0.05 1 62 253 14 ASP CA C 54.52 0.05 1 63 253 14 ASP CB C 41.12 0.05 1 64 253 14 ASP N N 122.96 0.05 1 65 254 15 ALA H H 8.16 0.02 1 66 254 15 ALA HA H 4.29 0.02 1 67 254 15 ALA HB H 1.44 0.02 1 68 254 15 ALA C C 178.23 0.05 1 69 254 15 ALA CA C 53.40 0.05 1 70 254 15 ALA CB C 19.20 0.05 1 71 254 15 ALA N N 125.09 0.05 1 72 255 16 ASP H H 8.30 0.02 1 73 255 16 ASP HA H 4.62 0.02 1 74 255 16 ASP HB2 H 2.78 0.02 1 75 255 16 ASP HB3 H 2.78 0.02 1 76 255 16 ASP C C 176.94 0.05 1 77 255 16 ASP CA C 54.85 0.05 1 78 255 16 ASP CB C 41.25 0.05 1 79 255 16 ASP N N 119.50 0.05 1 80 256 17 ALA H H 8.43 0.02 1 81 256 17 ALA HA H 4.33 0.02 1 82 256 17 ALA HB H 1.59 0.02 1 83 256 17 ALA C C 178.78 0.05 1 84 256 17 ALA CA C 54.78 0.05 1 85 256 17 ALA CB C 18.93 0.05 1 86 256 17 ALA N N 125.27 0.05 1 87 257 18 SER H H 8.30 0.02 1 88 257 18 SER HA H 3.84 0.02 1 89 257 18 SER HB2 H 4.17 0.02 2 90 257 18 SER HB3 H 3.92 0.02 2 91 257 18 SER C C 175.28 0.05 1 92 257 18 SER CA C 63.12 0.05 1 93 257 18 SER CB C 62.95 0.05 1 94 257 18 SER N N 114.18 0.05 1 95 258 19 SER H H 8.10 0.02 1 96 258 19 SER HA H 4.19 0.02 1 97 258 19 SER HB2 H 4.07 0.02 2 98 258 19 SER HB3 H 3.99 0.02 2 99 258 19 SER C C 182.87 0.05 1 100 258 19 SER CA C 61.31 0.05 1 101 258 19 SER CB C 62.47 0.05 1 102 258 19 SER N N 116.73 0.05 1 103 259 20 GLN H H 8.1 0.02 1 104 259 20 GLN HG3 H 2.3 0.02 2 105 260 21 LEU H H 8.02 0.02 1 106 260 21 LEU HA H 3.52 0.02 1 107 260 21 LEU HB2 H 0.19 0.02 1 108 260 21 LEU HB3 H 1.42 0.02 1 109 260 21 LEU HG H 1.04 0.02 1 110 260 21 LEU HD1 H 0.37 0.02 1 111 260 21 LEU HD2 H 0.42 0.02 1 112 260 21 LEU C C 177.68 0.05 1 113 260 21 LEU CA C 57.84 0.05 1 114 260 21 LEU CB C 39.27 0.05 1 115 260 21 LEU CG C 26.61 0.05 1 116 260 21 LEU CD1 C 21.64 0.05 1 117 260 21 LEU CD2 C 26.03 0.05 1 118 261 22 LEU H H 8.16 0.02 1 119 261 22 LEU HA H 3.78 0.02 1 120 261 22 LEU HB2 H 1.47 0.02 1 121 261 22 LEU HB3 H 1.91 0.02 1 122 261 22 LEU HG H 1.58 0.02 1 123 261 22 LEU HD1 H 0.79 0.02 1 124 261 22 LEU HD2 H 0.98 0.02 1 125 261 22 LEU C C 178.05 0.05 1 126 261 22 LEU CA C 58.56 0.05 1 127 261 22 LEU CB C 41.48 0.05 1 128 261 22 LEU CG C 26.64 0.05 1 129 261 22 LEU CD1 C 23.83 0.05 1 130 261 22 LEU CD2 C 26.03 0.05 1 131 261 22 LEU N N 118.68 0.05 1 132 262 23 SER H H 7.86 0.02 1 133 262 23 SER HA H 4.12 0.02 1 134 262 23 SER HB2 H 3.94 0.02 1 135 262 23 SER HB3 H 3.94 0.02 1 136 262 23 SER CA C 61.73 0.05 1 137 262 23 SER CB C 62.84 0.05 1 138 262 23 SER N N 112.26 0.05 1 139 263 24 LEU H H 7.79 0.02 1 140 263 24 LEU HA H 4.03 0.02 1 141 263 24 LEU HB2 H 1.83 0.02 1 142 263 24 LEU HB3 H 1.24 0.02 1 143 263 24 LEU HG H 1.74 0.02 1 144 263 24 LEU HD1 H 0.67 0.02 1 145 263 24 LEU HD2 H 0.82 0.02 1 146 263 24 LEU C C 179.70 0.05 1 147 263 24 LEU CA C 57.49 0.05 1 148 263 24 LEU CB C 42.62 0.05 1 149 263 24 LEU CG C 26.67 0.05 1 150 263 24 LEU CD1 C 25.62 0.05 1 151 263 24 LEU CD2 C 23.08 0.05 1 152 263 24 LEU N N 122.06 0.05 1 153 264 25 LEU H H 7.95 0.02 1 154 264 25 LEU HA H 3.71 0.02 1 155 264 25 LEU HB2 H 1.88 0.02 1 156 264 25 LEU HB3 H 1.09 0.02 1 157 264 25 LEU HG H 1.63 0.02 1 158 264 25 LEU HD1 H 0.51 0.02 1 159 264 25 LEU HD2 H 0.18 0.02 1 160 264 25 LEU C C 178.50 0.05 1 161 264 25 LEU CA C 57.02 0.05 1 162 264 25 LEU CB C 42.00 0.05 1 163 264 25 LEU CG C 25.91 0.05 1 164 264 25 LEU CD1 C 26.84 0.05 1 165 264 25 LEU CD2 C 23.83 0.05 1 166 264 25 LEU N N 118.17 0.05 1 167 265 26 LYS H H 7.94 0.02 1 168 265 26 LYS HA H 4.22 0.02 1 169 265 26 LYS HB2 H 1.76 0.02 1 170 265 26 LYS HB3 H 1.76 0.02 1 171 265 26 LYS HG3 H 1.4 0.02 2 172 265 26 LYS C C 177.44 0.05 1 173 265 26 LYS CA C 56.88 0.05 1 174 265 26 LYS CB C 31.86 0.05 1 175 265 26 LYS CG C 24.88 0.05 1 176 265 26 LYS N N 116.39 0.05 1 177 266 27 SER H H 7.77 0.02 1 178 266 27 SER HA H 4.46 0.02 1 179 266 27 SER HB2 H 3.97 0.02 1 180 266 27 SER HB3 H 3.97 0.02 1 181 266 27 SER CA C 59.29 0.05 1 182 266 27 SER CB C 63.71 0.05 1 183 266 27 SER N N 114.64 0.05 1 184 268 29 THR HB H 4.2 0.02 1 185 268 29 THR HG2 H 1.2 0.02 1 186 268 29 THR C C 173.75 0.05 1 187 268 29 THR CA C 61.62 0.05 1 188 268 29 THR CB C 70.11 0.05 1 189 268 29 THR CG2 C 21.62 0.05 1 190 269 30 ALA H H 8.31 0.02 1 191 269 30 ALA HA H 4.61 0.02 1 192 269 30 ALA HB H 1.39 0.02 1 193 269 30 ALA C C 175.58 0.05 1 194 269 30 ALA CA C 50.59 0.05 1 195 269 30 ALA CB C 18.20 0.05 1 196 269 30 ALA N N 128.14 0.05 1 197 270 31 PRO HA H 4.41 0.02 1 198 270 31 PRO HB2 H 2.3 0.02 2 199 270 31 PRO HB3 H 1.9 0.02 2 200 270 31 PRO HG2 H 2.03 0.02 1 201 270 31 PRO HG3 H 2.03 0.02 1 202 270 31 PRO HD2 H 3.82 0.02 1 203 270 31 PRO HD3 H 3.82 0.02 1 204 270 31 PRO CA C 63.36 0.05 1 205 270 31 PRO CB C 32.06 0.05 1 206 270 31 PRO CG C 27.45 0.05 1 207 270 31 PRO CD C 50.46 0.05 1 208 271 32 SER H H 8.32 0.02 1 209 271 32 SER C C 174.45 0.05 1 210 271 32 SER CA C 58.56 0.05 1 211 271 32 SER CB C 63.92 0.05 1 212 271 32 SER N N 115.28 0.05 1 213 272 33 ASP H H 8.31 0.02 1 214 272 33 ASP HA H 4.61 0.02 1 215 272 33 ASP HB2 H 2.67 0.02 1 216 272 33 ASP HB3 H 2.67 0.02 1 217 272 33 ASP C C 176.09 0.05 1 218 272 33 ASP CA C 54.45 0.05 1 219 272 33 ASP CB C 41.05 0.05 1 220 272 33 ASP N N 122.11 0.05 1 221 273 34 LEU H H 7.98 0.02 1 222 273 34 LEU HA H 4.72 0.02 1 223 273 34 LEU HB2 H 1.60 0.02 1 224 273 34 LEU HB3 H 1.60 0.02 1 225 273 34 LEU HG H 1.57 0.02 1 226 273 34 LEU HD1 H 0.92 0.02 2 227 273 34 LEU HD2 H 0.86 0.02 2 228 273 34 LEU C C 176.97 0.05 1 229 273 34 LEU CA C 55.13 0.05 1 230 273 34 LEU CB C 42.36 0.05 1 231 273 34 LEU CG C 26.95 0.05 1 232 273 34 LEU CD1 C 24.98 0.05 2 233 273 34 LEU CD2 C 23.41 0.05 2 234 273 34 LEU N N 121.74 0.05 1 235 274 35 ALA H H 8.15 0.02 1 236 274 35 ALA HA H 4.35 0.02 1 237 274 35 ALA HB H 1.40 0.02 1 238 274 35 ALA C C 177.47 0.05 1 239 274 35 ALA CA C 52.36 0.05 1 240 274 35 ALA CB C 19.20 0.05 1 241 274 35 ALA N N 124.42 0.05 1 242 275 36 THR H H 8.01 0.02 1 243 275 36 THR HB H 4.2 0.02 1 244 275 36 THR C C 172.74 0.05 1 245 275 36 THR CA C 59.78 0.05 1 246 275 36 THR CB C 69.78 0.05 1 247 275 36 THR CG2 C 21.6 0.05 1 248 275 36 THR N N 116.02 0.05 1 249 285 46 PRO CA C 62.97 0.05 1 250 285 46 PRO CB C 31.94 0.05 1 251 285 46 PRO CG C 27.28 0.05 1 252 285 46 PRO CD C 50.32 0.05 1 253 286 47 VAL H H 8.16 0.02 1 254 286 47 VAL HA H 4.05 0.02 1 255 286 47 VAL HB H 2.01 0.02 1 256 286 47 VAL HG1 H 0.93 0.02 2 257 286 47 VAL HG2 H 0.94 0.02 2 258 286 47 VAL C C 176.24 0.05 1 259 286 47 VAL CA C 62.40 0.05 1 260 286 47 VAL CB C 32.72 0.05 1 261 286 47 VAL CG1 C 20.27 0.05 2 262 286 47 VAL CG2 C 21.34 0.05 2 263 286 47 VAL N N 120.30 0.05 1 264 287 48 GLU H H 8.48 0.02 1 265 287 48 GLU C C 176.21 0.05 1 266 287 48 GLU CA C 56.43 0.05 1 267 287 48 GLU CB C 30.35 0.05 1 268 287 48 GLU N N 124.60 0.05 1 stop_ save_