data_11244 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the first SANT domain from human nuclear receptor corepressor 1 ; _BMRB_accession_number 11244 _BMRB_flat_file_name bmr11244.str _Entry_type original _Submission_date 2010-07-23 _Accession_date 2010-07-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang H. . . 2 Hayahsi F. . . 3 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 368 "13C chemical shifts" 273 "15N chemical shifts" 59 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-03 original author . stop_ _Original_release_date 2011-08-03 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the first SANT domain from human nuclear receptor corepressor 1 ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang H. . . 2 Hayashi F. . . 3 Yokoyama S. . . 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 _Saveframe_category molecular_system _Mol_system_name 'Nuclear receptor corepressor 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Sant domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Sant domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 61 _Mol_residue_sequence ; GSSGSSGDRQFMNVWTDHEK EIFKDKFIQHPKNFGLIASY LERKSVPDCVLYYYLTKKNE N ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASP 9 ARG 10 GLN 11 PHE 12 MET 13 ASN 14 VAL 15 TRP 16 THR 17 ASP 18 HIS 19 GLU 20 LYS 21 GLU 22 ILE 23 PHE 24 LYS 25 ASP 26 LYS 27 PHE 28 ILE 29 GLN 30 HIS 31 PRO 32 LYS 33 ASN 34 PHE 35 GLY 36 LEU 37 ILE 38 ALA 39 SER 40 TYR 41 LEU 42 GLU 43 ARG 44 LYS 45 SER 46 VAL 47 PRO 48 ASP 49 CYS 50 VAL 51 LEU 52 TYR 53 TYR 54 TYR 55 LEU 56 THR 57 LYS 58 LYS 59 ASN 60 GLU 61 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 2EQR "Solution Structure Of The First Sant Domain From Human Nuclear Receptor Corepressor 1" 100.00 61 100.00 100.00 2.74e-37 GB AAH26028 "NCOR1 protein, partial [Homo sapiens]" 88.52 541 100.00 100.00 6.61e-31 GB AAH26623 "Ncor1 protein, partial [Mus musculus]" 88.52 518 100.00 100.00 5.84e-31 GB AAH29627 "Ncor1 protein, partial [Mus musculus]" 88.52 534 100.00 100.00 5.46e-31 GB AAH50594 "NCOR1 protein, partial [Homo sapiens]" 88.52 550 100.00 100.00 6.10e-31 GB AAH56862 "NCOR1 protein, partial [Homo sapiens]" 88.52 518 100.00 100.00 6.93e-31 REF NP_001177367 "nuclear receptor corepressor 1 isoform 2 [Homo sapiens]" 88.52 914 100.00 100.00 2.87e-28 REF NP_001258032 "nuclear receptor corepressor 1 [Rattus norvegicus]" 88.52 2414 100.00 100.00 1.51e-29 REF XP_003912439 "PREDICTED: nuclear receptor corepressor 1-like isoform X1 [Papio anubis]" 88.52 527 100.00 100.00 1.70e-30 REF XP_004042267 "PREDICTED: nuclear receptor corepressor 1-like [Gorilla gorilla gorilla]" 88.52 504 100.00 100.00 5.44e-31 REF XP_004376019 "PREDICTED: nuclear receptor corepressor 1 isoform X2 [Trichechus manatus latirostris]" 88.52 912 98.15 98.15 4.93e-27 stop_ save_ #################### # Natural source # #################### save_natural_source _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 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . P061225-49 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.14mM 13C, 15N-labeled {protein;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3, 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.14 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRVIEW _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9818 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 293 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $VNMR $NMRPipe $NMRVIEW $Kujira $CYANA stop_ loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Sant domain' _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 6 6 SER HA H 4.442 0.030 1 2 6 6 SER HB2 H 3.931 0.030 2 3 6 6 SER HB3 H 3.887 0.030 2 4 6 6 SER C C 175.303 0.300 1 5 6 6 SER CA C 58.908 0.300 1 6 6 6 SER CB C 63.718 0.300 1 7 7 7 GLY H H 8.444 0.030 1 8 7 7 GLY HA2 H 3.970 0.030 1 9 7 7 GLY HA3 H 3.970 0.030 1 10 7 7 GLY C C 174.249 0.300 1 11 7 7 GLY CA C 45.592 0.300 1 12 7 7 GLY N N 110.716 0.300 1 13 8 8 ASP H H 8.211 0.030 1 14 8 8 ASP HA H 4.581 0.030 1 15 8 8 ASP HB2 H 2.728 0.030 2 16 8 8 ASP HB3 H 2.667 0.030 2 17 8 8 ASP C C 176.790 0.300 1 18 8 8 ASP CA C 54.731 0.300 1 19 8 8 ASP CB C 41.092 0.300 1 20 8 8 ASP N N 120.671 0.300 1 21 9 9 ARG H H 8.286 0.030 1 22 9 9 ARG HA H 4.232 0.030 1 23 9 9 ARG HB2 H 1.765 0.030 2 24 9 9 ARG HB3 H 1.852 0.030 2 25 9 9 ARG HD2 H 3.190 0.030 1 26 9 9 ARG HD3 H 3.190 0.030 1 27 9 9 ARG HG2 H 1.595 0.030 2 28 9 9 ARG HG3 H 1.644 0.030 2 29 9 9 ARG C C 176.720 0.300 1 30 9 9 ARG CA C 56.721 0.300 1 31 9 9 ARG CB C 30.302 0.300 1 32 9 9 ARG CD C 43.297 0.300 1 33 9 9 ARG CG C 27.094 0.300 1 34 9 9 ARG N N 121.099 0.300 1 35 10 10 GLN H H 8.330 0.030 1 36 10 10 GLN HA H 4.183 0.030 1 37 10 10 GLN HB2 H 1.934 0.030 1 38 10 10 GLN HB3 H 1.934 0.030 1 39 10 10 GLN HE21 H 7.520 0.030 2 40 10 10 GLN HE22 H 6.848 0.030 2 41 10 10 GLN HG2 H 2.176 0.030 1 42 10 10 GLN HG3 H 2.176 0.030 1 43 10 10 GLN C C 176.217 0.300 1 44 10 10 GLN CA C 56.617 0.300 1 45 10 10 GLN CB C 29.024 0.300 1 46 10 10 GLN CG C 33.742 0.300 1 47 10 10 GLN N N 120.229 0.300 1 48 10 10 GLN NE2 N 112.551 0.300 1 49 11 11 PHE H H 8.155 0.030 1 50 11 11 PHE HA H 4.612 0.030 1 51 11 11 PHE HB2 H 3.066 0.030 2 52 11 11 PHE HB3 H 3.197 0.030 2 53 11 11 PHE HD1 H 7.272 0.030 1 54 11 11 PHE HD2 H 7.272 0.030 1 55 11 11 PHE HE1 H 7.368 0.030 1 56 11 11 PHE HE2 H 7.368 0.030 1 57 11 11 PHE HZ H 6.668 0.030 1 58 11 11 PHE C C 175.921 0.300 1 59 11 11 PHE CA C 58.093 0.300 1 60 11 11 PHE CB C 39.236 0.300 1 61 11 11 PHE CD1 C 131.845 0.300 1 62 11 11 PHE CD2 C 131.845 0.300 1 63 11 11 PHE CE1 C 131.368 0.300 1 64 11 11 PHE CE2 C 131.368 0.300 1 65 11 11 PHE CZ C 129.378 0.300 1 66 11 11 PHE N N 119.807 0.300 1 67 12 12 MET H H 8.123 0.030 1 68 12 12 MET HA H 4.396 0.030 1 69 12 12 MET HB2 H 2.070 0.030 2 70 12 12 MET HB3 H 2.014 0.030 2 71 12 12 MET HE H 2.040 0.030 1 72 12 12 MET HG2 H 2.574 0.030 2 73 12 12 MET HG3 H 2.508 0.030 2 74 12 12 MET C C 176.087 0.300 1 75 12 12 MET CA C 55.884 0.300 1 76 12 12 MET CB C 32.746 0.300 1 77 12 12 MET CE C 16.951 0.300 1 78 12 12 MET CG C 32.205 0.300 1 79 12 12 MET N N 120.252 0.300 1 80 13 13 ASN H H 8.377 0.030 1 81 13 13 ASN HA H 4.696 0.030 1 82 13 13 ASN HB2 H 2.734 0.030 2 83 13 13 ASN HB3 H 2.878 0.030 2 84 13 13 ASN HD21 H 7.719 0.030 2 85 13 13 ASN HD22 H 6.924 0.030 2 86 13 13 ASN C C 174.990 0.300 1 87 13 13 ASN CA C 53.020 0.300 1 88 13 13 ASN CB C 38.260 0.300 1 89 13 13 ASN N N 119.973 0.300 1 90 13 13 ASN ND2 N 112.250 0.300 1 91 14 14 VAL H H 7.838 0.030 1 92 14 14 VAL HA H 4.192 0.030 1 93 14 14 VAL HB H 2.119 0.030 1 94 14 14 VAL HG1 H 0.924 0.030 1 95 14 14 VAL HG2 H 0.953 0.030 1 96 14 14 VAL C C 176.302 0.300 1 97 14 14 VAL CA C 62.297 0.300 1 98 14 14 VAL CB C 32.851 0.300 1 99 14 14 VAL CG1 C 21.159 0.300 2 100 14 14 VAL CG2 C 20.565 0.300 2 101 14 14 VAL N N 118.562 0.300 1 102 15 15 TRP H H 8.664 0.030 1 103 15 15 TRP HA H 4.441 0.030 1 104 15 15 TRP HB2 H 2.975 0.030 2 105 15 15 TRP HB3 H 2.836 0.030 2 106 15 15 TRP HD1 H 7.217 0.030 1 107 15 15 TRP HE1 H 10.152 0.030 1 108 15 15 TRP HE3 H 6.722 0.030 1 109 15 15 TRP HH2 H 7.199 0.030 1 110 15 15 TRP HZ2 H 6.937 0.030 1 111 15 15 TRP HZ3 H 6.672 0.030 1 112 15 15 TRP C C 176.842 0.300 1 113 15 15 TRP CA C 57.042 0.300 1 114 15 15 TRP CB C 28.771 0.300 1 115 15 15 TRP CD1 C 125.471 0.300 1 116 15 15 TRP CE3 C 119.565 0.300 1 117 15 15 TRP CH2 C 124.074 0.300 1 118 15 15 TRP CZ2 C 112.424 0.300 1 119 15 15 TRP CZ3 C 121.074 0.300 1 120 15 15 TRP N N 127.171 0.300 1 121 15 15 TRP NE1 N 128.945 0.300 1 122 16 16 THR H H 9.521 0.030 1 123 16 16 THR HA H 4.530 0.030 1 124 16 16 THR HB H 4.786 0.030 1 125 16 16 THR HG2 H 1.298 0.030 1 126 16 16 THR C C 175.484 0.300 1 127 16 16 THR CA C 60.665 0.300 1 128 16 16 THR CB C 71.499 0.300 1 129 16 16 THR CG2 C 21.824 0.300 1 130 16 16 THR N N 117.519 0.300 1 131 17 17 ASP H H 9.092 0.030 1 132 17 17 ASP HA H 4.403 0.030 1 133 17 17 ASP HB2 H 2.794 0.030 2 134 17 17 ASP HB3 H 2.698 0.030 2 135 17 17 ASP C C 178.944 0.300 1 136 17 17 ASP CA C 58.357 0.300 1 137 17 17 ASP CB C 39.624 0.300 1 138 17 17 ASP N N 121.700 0.300 1 139 18 18 HIS H H 8.601 0.030 1 140 18 18 HIS HA H 4.547 0.030 1 141 18 18 HIS HB2 H 3.111 0.030 2 142 18 18 HIS HB3 H 3.257 0.030 2 143 18 18 HIS HD2 H 7.140 0.030 1 144 18 18 HIS C C 177.630 0.300 1 145 18 18 HIS CA C 59.099 0.300 1 146 18 18 HIS CB C 30.300 0.300 1 147 18 18 HIS CD2 C 119.656 0.300 1 148 18 18 HIS N N 118.789 0.300 1 149 19 19 GLU H H 7.708 0.030 1 150 19 19 GLU HA H 3.811 0.030 1 151 19 19 GLU HB2 H 2.087 0.030 2 152 19 19 GLU HB3 H 2.479 0.030 2 153 19 19 GLU HG2 H 2.392 0.030 2 154 19 19 GLU HG3 H 2.026 0.030 2 155 19 19 GLU C C 178.911 0.300 1 156 19 19 GLU CA C 59.536 0.300 1 157 19 19 GLU CB C 31.592 0.300 1 158 19 19 GLU CG C 37.751 0.300 1 159 19 19 GLU N N 118.486 0.300 1 160 20 20 LYS H H 8.595 0.030 1 161 20 20 LYS HA H 3.894 0.030 1 162 20 20 LYS HB2 H 2.133 0.030 2 163 20 20 LYS HB3 H 1.898 0.030 2 164 20 20 LYS HD2 H 1.794 0.030 2 165 20 20 LYS HD3 H 1.725 0.030 2 166 20 20 LYS HE2 H 2.916 0.030 2 167 20 20 LYS HE3 H 3.062 0.030 2 168 20 20 LYS HG2 H 1.395 0.030 2 169 20 20 LYS HG3 H 1.945 0.030 2 170 20 20 LYS C C 179.929 0.300 1 171 20 20 LYS CA C 60.843 0.300 1 172 20 20 LYS CB C 32.851 0.300 1 173 20 20 LYS CD C 30.342 0.300 1 174 20 20 LYS CE C 42.217 0.300 1 175 20 20 LYS CG C 26.410 0.300 1 176 20 20 LYS N N 117.986 0.300 1 177 21 21 GLU H H 8.037 0.030 1 178 21 21 GLU HA H 4.150 0.030 1 179 21 21 GLU HB2 H 2.247 0.030 1 180 21 21 GLU HB3 H 2.247 0.030 1 181 21 21 GLU HG2 H 2.456 0.030 2 182 21 21 GLU HG3 H 2.393 0.030 2 183 21 21 GLU C C 178.671 0.300 1 184 21 21 GLU CA C 59.419 0.300 1 185 21 21 GLU CB C 29.514 0.300 1 186 21 21 GLU CG C 35.967 0.300 1 187 21 21 GLU N N 121.293 0.300 1 188 22 22 ILE H H 8.011 0.030 1 189 22 22 ILE HA H 3.877 0.030 1 190 22 22 ILE HB H 1.947 0.030 1 191 22 22 ILE HD1 H 0.728 0.030 1 192 22 22 ILE HG12 H 1.562 0.030 2 193 22 22 ILE HG13 H 1.006 0.030 2 194 22 22 ILE HG2 H 0.840 0.030 1 195 22 22 ILE C C 177.990 0.300 1 196 22 22 ILE CA C 64.883 0.300 1 197 22 22 ILE CB C 38.057 0.300 1 198 22 22 ILE CD1 C 12.953 0.300 1 199 22 22 ILE CG1 C 28.562 0.300 1 200 22 22 ILE CG2 C 17.602 0.300 1 201 22 22 ILE N N 121.364 0.300 1 202 23 23 PHE H H 8.745 0.030 1 203 23 23 PHE HA H 3.804 0.030 1 204 23 23 PHE HB2 H 3.254 0.030 2 205 23 23 PHE HB3 H 3.352 0.030 2 206 23 23 PHE HD1 H 7.302 0.030 1 207 23 23 PHE HD2 H 7.302 0.030 1 208 23 23 PHE HE1 H 7.357 0.030 1 209 23 23 PHE HE2 H 7.357 0.030 1 210 23 23 PHE HZ H 7.350 0.030 1 211 23 23 PHE C C 176.284 0.300 1 212 23 23 PHE CA C 62.851 0.300 1 213 23 23 PHE CB C 39.835 0.300 1 214 23 23 PHE CD1 C 132.961 0.300 1 215 23 23 PHE CD2 C 132.961 0.300 1 216 23 23 PHE CE1 C 130.596 0.300 1 217 23 23 PHE CE2 C 130.596 0.300 1 218 23 23 PHE CZ C 128.883 0.300 1 219 23 23 PHE N N 118.584 0.300 1 220 24 24 LYS H H 8.135 0.030 1 221 24 24 LYS HA H 4.063 0.030 1 222 24 24 LYS HB2 H 2.083 0.030 1 223 24 24 LYS HB3 H 2.083 0.030 1 224 24 24 LYS HD2 H 1.790 0.030 2 225 24 24 LYS HD3 H 1.770 0.030 2 226 24 24 LYS HE2 H 3.018 0.030 1 227 24 24 LYS HE3 H 3.018 0.030 1 228 24 24 LYS HG2 H 1.537 0.030 2 229 24 24 LYS HG3 H 1.711 0.030 2 230 24 24 LYS C C 178.512 0.300 1 231 24 24 LYS CA C 59.765 0.300 1 232 24 24 LYS CB C 32.592 0.300 1 233 24 24 LYS CD C 29.580 0.300 1 234 24 24 LYS CE C 41.989 0.300 1 235 24 24 LYS CG C 24.425 0.300 1 236 24 24 LYS N N 117.670 0.300 1 237 25 25 ASP H H 8.100 0.030 1 238 25 25 ASP HA H 4.400 0.030 1 239 25 25 ASP HB2 H 2.802 0.030 2 240 25 25 ASP HB3 H 2.663 0.030 2 241 25 25 ASP C C 179.303 0.300 1 242 25 25 ASP CA C 57.156 0.300 1 243 25 25 ASP CB C 41.762 0.300 1 244 25 25 ASP N N 117.790 0.300 1 245 26 26 LYS H H 8.767 0.030 1 246 26 26 LYS HA H 3.985 0.030 1 247 26 26 LYS HB2 H 1.493 0.030 2 248 26 26 LYS HB3 H 1.950 0.030 2 249 26 26 LYS HD2 H 1.298 0.030 2 250 26 26 LYS HD3 H 0.828 0.030 2 251 26 26 LYS HE2 H 2.219 0.030 2 252 26 26 LYS HE3 H 1.421 0.030 2 253 26 26 LYS HG2 H 1.651 0.030 2 254 26 26 LYS HG3 H 0.935 0.030 2 255 26 26 LYS C C 177.795 0.300 1 256 26 26 LYS CA C 56.257 0.300 1 257 26 26 LYS CB C 31.691 0.300 1 258 26 26 LYS CD C 27.396 0.300 1 259 26 26 LYS CE C 41.380 0.300 1 260 26 26 LYS CG C 24.159 0.300 1 261 26 26 LYS N N 115.773 0.300 1 262 27 27 PHE H H 9.039 0.030 1 263 27 27 PHE HA H 3.551 0.030 1 264 27 27 PHE HB2 H 3.021 0.030 2 265 27 27 PHE HB3 H 2.478 0.030 2 266 27 27 PHE HD1 H 6.856 0.030 1 267 27 27 PHE HD2 H 6.856 0.030 1 268 27 27 PHE HE1 H 7.000 0.030 1 269 27 27 PHE HE2 H 7.000 0.030 1 270 27 27 PHE HZ H 7.155 0.030 1 271 27 27 PHE C C 176.442 0.300 1 272 27 27 PHE CA C 61.332 0.300 1 273 27 27 PHE CB C 38.576 0.300 1 274 27 27 PHE CD1 C 132.651 0.300 1 275 27 27 PHE CD2 C 132.651 0.300 1 276 27 27 PHE CE1 C 130.267 0.300 1 277 27 27 PHE CE2 C 130.267 0.300 1 278 27 27 PHE CZ C 130.277 0.300 1 279 27 27 PHE N N 122.207 0.300 1 280 28 28 ILE H H 7.413 0.030 1 281 28 28 ILE HA H 3.664 0.030 1 282 28 28 ILE HB H 1.973 0.030 1 283 28 28 ILE HD1 H 0.967 0.030 1 284 28 28 ILE HG12 H 1.267 0.030 2 285 28 28 ILE HG13 H 1.904 0.030 2 286 28 28 ILE HG2 H 0.884 0.030 1 287 28 28 ILE C C 178.376 0.300 1 288 28 28 ILE CA C 64.286 0.300 1 289 28 28 ILE CB C 37.927 0.300 1 290 28 28 ILE CD1 C 13.591 0.300 1 291 28 28 ILE CG1 C 29.742 0.300 1 292 28 28 ILE CG2 C 17.186 0.300 1 293 28 28 ILE N N 114.964 0.300 1 294 29 29 GLN H H 6.856 0.030 1 295 29 29 GLN HA H 3.780 0.030 1 296 29 29 GLN HB2 H 1.572 0.030 2 297 29 29 GLN HB3 H 1.442 0.030 2 298 29 29 GLN HE21 H 7.264 0.030 2 299 29 29 GLN HE22 H 6.850 0.030 2 300 29 29 GLN HG2 H 2.246 0.030 2 301 29 29 GLN HG3 H 1.988 0.030 2 302 29 29 GLN C C 175.921 0.300 1 303 29 29 GLN CA C 57.810 0.300 1 304 29 29 GLN CB C 29.669 0.300 1 305 29 29 GLN CG C 33.848 0.300 1 306 29 29 GLN N N 116.072 0.300 1 307 29 29 GLN NE2 N 112.656 0.300 1 308 30 30 HIS H H 7.865 0.030 1 309 30 30 HIS HA H 4.838 0.030 1 310 30 30 HIS HB2 H 3.009 0.030 2 311 30 30 HIS HB3 H 2.802 0.030 2 312 30 30 HIS C C 170.999 0.300 1 313 30 30 HIS CA C 52.136 0.300 1 314 30 30 HIS CB C 29.714 0.300 1 315 30 30 HIS N N 117.003 0.300 1 316 31 31 PRO HA H 2.837 0.030 1 317 31 31 PRO HB2 H 1.707 0.030 2 318 31 31 PRO HB3 H 1.457 0.030 2 319 31 31 PRO HD2 H 3.151 0.030 2 320 31 31 PRO HD3 H 3.248 0.030 2 321 31 31 PRO HG2 H 1.772 0.030 2 322 31 31 PRO HG3 H 1.848 0.030 2 323 31 31 PRO CA C 64.528 0.300 1 324 31 31 PRO CB C 30.887 0.300 1 325 31 31 PRO CD C 49.230 0.300 1 326 31 31 PRO CG C 27.633 0.300 1 327 32 32 LYS H H 5.298 0.030 1 328 32 32 LYS HA H 2.447 0.030 1 329 32 32 LYS HB2 H 1.926 0.030 2 330 32 32 LYS HB3 H 1.779 0.030 2 331 32 32 LYS HD2 H 1.824 0.030 2 332 32 32 LYS HD3 H 1.749 0.030 2 333 32 32 LYS HE2 H 3.132 0.030 2 334 32 32 LYS HE3 H 3.085 0.030 2 335 32 32 LYS HG2 H 1.093 0.030 2 336 32 32 LYS HG3 H 1.263 0.030 2 337 32 32 LYS C C 173.100 0.300 1 338 32 32 LYS CA C 57.618 0.300 1 339 32 32 LYS CB C 29.716 0.300 1 340 32 32 LYS CD C 29.467 0.300 1 341 32 32 LYS CE C 42.124 0.300 1 342 32 32 LYS CG C 26.349 0.300 1 343 32 32 LYS N N 113.271 0.300 1 344 33 33 ASN H H 7.587 0.030 1 345 33 33 ASN HA H 4.847 0.030 1 346 33 33 ASN HB2 H 3.026 0.030 2 347 33 33 ASN HB3 H 2.246 0.030 2 348 33 33 ASN HD21 H 7.872 0.030 2 349 33 33 ASN HD22 H 6.939 0.030 2 350 33 33 ASN C C 175.491 0.300 1 351 33 33 ASN CA C 50.230 0.300 1 352 33 33 ASN CB C 36.018 0.300 1 353 33 33 ASN N N 118.421 0.300 1 354 33 33 ASN ND2 N 112.927 0.300 1 355 34 34 PHE H H 7.583 0.030 1 356 34 34 PHE HA H 4.147 0.030 1 357 34 34 PHE HB2 H 3.147 0.030 2 358 34 34 PHE HB3 H 2.992 0.030 2 359 34 34 PHE HD1 H 7.297 0.030 1 360 34 34 PHE HD2 H 7.297 0.030 1 361 34 34 PHE HE1 H 7.372 0.030 1 362 34 34 PHE HE2 H 7.372 0.030 1 363 34 34 PHE HZ H 7.378 0.030 1 364 34 34 PHE C C 176.957 0.300 1 365 34 34 PHE CA C 62.636 0.300 1 366 34 34 PHE CB C 38.828 0.300 1 367 34 34 PHE CD1 C 131.722 0.300 1 368 34 34 PHE CD2 C 131.722 0.300 1 369 34 34 PHE CE1 C 131.595 0.300 1 370 34 34 PHE CE2 C 131.595 0.300 1 371 34 34 PHE CZ C 129.831 0.300 1 372 34 34 PHE N N 119.542 0.300 1 373 35 35 GLY H H 8.992 0.030 1 374 35 35 GLY HA2 H 3.970 0.030 2 375 35 35 GLY HA3 H 3.860 0.030 2 376 35 35 GLY C C 175.970 0.300 1 377 35 35 GLY CA C 47.127 0.300 1 378 35 35 GLY N N 106.561 0.300 1 379 36 36 LEU H H 7.117 0.030 1 380 36 36 LEU HA H 4.111 0.030 1 381 36 36 LEU HB2 H 1.337 0.030 2 382 36 36 LEU HB3 H 1.200 0.030 2 383 36 36 LEU HD1 H 0.552 0.030 1 384 36 36 LEU HD2 H 0.383 0.030 1 385 36 36 LEU HG H 1.311 0.030 1 386 36 36 LEU C C 180.568 0.300 1 387 36 36 LEU CA C 57.303 0.300 1 388 36 36 LEU CB C 42.562 0.300 1 389 36 36 LEU CD1 C 23.951 0.300 2 390 36 36 LEU CD2 C 24.092 0.300 2 391 36 36 LEU CG C 27.253 0.300 1 392 36 36 LEU N N 122.896 0.300 1 393 37 37 ILE H H 8.401 0.030 1 394 37 37 ILE HA H 3.413 0.030 1 395 37 37 ILE HB H 1.762 0.030 1 396 37 37 ILE HD1 H 0.440 0.030 1 397 37 37 ILE HG12 H 0.548 0.030 2 398 37 37 ILE HG13 H 1.802 0.030 2 399 37 37 ILE HG2 H 0.965 0.030 1 400 37 37 ILE C C 177.338 0.300 1 401 37 37 ILE CA C 67.253 0.300 1 402 37 37 ILE CB C 39.426 0.300 1 403 37 37 ILE CD1 C 14.761 0.300 1 404 37 37 ILE CG1 C 28.967 0.300 1 405 37 37 ILE CG2 C 17.747 0.300 1 406 37 37 ILE N N 121.136 0.300 1 407 38 38 ALA H H 8.592 0.030 1 408 38 38 ALA HA H 4.069 0.030 1 409 38 38 ALA HB H 1.605 0.030 1 410 38 38 ALA C C 180.561 0.300 1 411 38 38 ALA CA C 55.224 0.300 1 412 38 38 ALA CB C 19.097 0.300 1 413 38 38 ALA N N 117.153 0.300 1 414 39 39 SER H H 7.554 0.030 1 415 39 39 SER HA H 4.181 0.030 1 416 39 39 SER HB2 H 3.885 0.030 2 417 39 39 SER HB3 H 3.794 0.030 2 418 39 39 SER C C 175.391 0.300 1 419 39 39 SER CA C 61.176 0.300 1 420 39 39 SER CB C 62.739 0.300 1 421 39 39 SER N N 114.808 0.300 1 422 40 40 TYR H H 7.644 0.030 1 423 40 40 TYR HA H 4.480 0.030 1 424 40 40 TYR HB2 H 3.377 0.030 2 425 40 40 TYR HB3 H 2.801 0.030 2 426 40 40 TYR HD1 H 7.376 0.030 1 427 40 40 TYR HD2 H 7.376 0.030 1 428 40 40 TYR HE1 H 6.690 0.030 1 429 40 40 TYR HE2 H 6.690 0.030 1 430 40 40 TYR C C 174.724 0.300 1 431 40 40 TYR CA C 59.562 0.300 1 432 40 40 TYR CB C 38.842 0.300 1 433 40 40 TYR CD1 C 133.861 0.300 1 434 40 40 TYR CD2 C 133.861 0.300 1 435 40 40 TYR CE1 C 118.097 0.300 1 436 40 40 TYR CE2 C 118.097 0.300 1 437 40 40 TYR N N 119.785 0.300 1 438 41 41 LEU H H 7.574 0.030 1 439 41 41 LEU HA H 4.661 0.030 1 440 41 41 LEU HB2 H 1.951 0.030 2 441 41 41 LEU HB3 H 1.368 0.030 2 442 41 41 LEU HD1 H 1.094 0.030 1 443 41 41 LEU HD2 H 1.206 0.030 1 444 41 41 LEU HG H 1.621 0.030 1 445 41 41 LEU C C 175.728 0.300 1 446 41 41 LEU CA C 53.185 0.300 1 447 41 41 LEU CB C 43.736 0.300 1 448 41 41 LEU CD1 C 25.842 0.300 2 449 41 41 LEU CD2 C 28.585 0.300 2 450 41 41 LEU CG C 26.552 0.300 1 451 41 41 LEU N N 123.062 0.300 1 452 42 42 GLU H H 8.648 0.030 1 453 42 42 GLU HA H 4.052 0.030 1 454 42 42 GLU HB2 H 1.992 0.030 2 455 42 42 GLU HB3 H 2.063 0.030 2 456 42 42 GLU HG2 H 2.308 0.030 2 457 42 42 GLU HG3 H 2.255 0.030 2 458 42 42 GLU C C 178.168 0.300 1 459 42 42 GLU CA C 59.468 0.300 1 460 42 42 GLU CB C 29.857 0.300 1 461 42 42 GLU CG C 35.950 0.300 1 462 42 42 GLU N N 124.717 0.300 1 463 43 43 ARG H H 9.628 0.030 1 464 43 43 ARG HA H 4.478 0.030 1 465 43 43 ARG HB2 H 1.619 0.030 2 466 43 43 ARG HB3 H 2.048 0.030 2 467 43 43 ARG HD2 H 3.155 0.030 1 468 43 43 ARG HD3 H 3.155 0.030 1 469 43 43 ARG HG2 H 1.485 0.030 2 470 43 43 ARG HG3 H 1.598 0.030 2 471 43 43 ARG C C 175.916 0.300 1 472 43 43 ARG CA C 55.219 0.300 1 473 43 43 ARG CB C 30.465 0.300 1 474 43 43 ARG CD C 43.291 0.300 1 475 43 43 ARG CG C 27.321 0.300 1 476 43 43 ARG N N 116.458 0.300 1 477 44 44 LYS H H 7.082 0.030 1 478 44 44 LYS HA H 4.977 0.030 1 479 44 44 LYS HB2 H 1.739 0.030 2 480 44 44 LYS HB3 H 1.450 0.030 2 481 44 44 LYS HD2 H 0.556 0.030 2 482 44 44 LYS HD3 H 1.339 0.030 2 483 44 44 LYS HE2 H 0.464 0.030 2 484 44 44 LYS HE3 H 1.340 0.030 2 485 44 44 LYS HG2 H -0.217 0.030 2 486 44 44 LYS HG3 H 0.699 0.030 2 487 44 44 LYS C C 174.500 0.300 1 488 44 44 LYS CA C 52.631 0.300 1 489 44 44 LYS CB C 34.927 0.300 1 490 44 44 LYS CD C 28.541 0.300 1 491 44 44 LYS CE C 40.356 0.300 1 492 44 44 LYS CG C 22.955 0.300 1 493 44 44 LYS N N 117.132 0.300 1 494 45 45 SER H H 9.332 0.030 1 495 45 45 SER HA H 4.780 0.030 1 496 45 45 SER HB2 H 4.282 0.030 2 497 45 45 SER HB3 H 3.966 0.030 2 498 45 45 SER C C 175.702 0.300 1 499 45 45 SER CA C 56.101 0.300 1 500 45 45 SER CB C 66.331 0.300 1 501 45 45 SER N N 119.047 0.300 1 502 46 46 VAL H H 9.086 0.030 1 503 46 46 VAL HA H 3.796 0.030 1 504 46 46 VAL HB H 2.386 0.030 1 505 46 46 VAL HG1 H 0.936 0.030 1 506 46 46 VAL HG2 H 1.172 0.030 1 507 46 46 VAL C C 175.959 0.300 1 508 46 46 VAL CA C 70.120 0.300 1 509 46 46 VAL CB C 29.085 0.300 1 510 46 46 VAL CG1 C 21.407 0.300 2 511 46 46 VAL CG2 C 24.580 0.300 2 512 46 46 VAL N N 119.482 0.300 1 513 47 47 PRO HA H 4.150 0.030 1 514 47 47 PRO HB2 H 2.259 0.030 2 515 47 47 PRO HB3 H 1.832 0.030 2 516 47 47 PRO HD2 H 3.768 0.030 2 517 47 47 PRO HD3 H 3.903 0.030 2 518 47 47 PRO HG2 H 1.932 0.030 2 519 47 47 PRO HG3 H 2.164 0.030 2 520 47 47 PRO C C 179.108 0.300 1 521 47 47 PRO CA C 66.429 0.300 1 522 47 47 PRO CB C 30.869 0.300 1 523 47 47 PRO CD C 49.093 0.300 1 524 47 47 PRO CG C 28.262 0.300 1 525 48 48 ASP H H 7.676 0.030 1 526 48 48 ASP HA H 4.544 0.030 1 527 48 48 ASP HB2 H 2.799 0.030 2 528 48 48 ASP HB3 H 3.373 0.030 2 529 48 48 ASP C C 180.087 0.300 1 530 48 48 ASP CA C 57.995 0.300 1 531 48 48 ASP CB C 41.489 0.300 1 532 48 48 ASP N N 116.146 0.300 1 533 49 49 CYS H H 8.379 0.030 1 534 49 49 CYS HA H 4.591 0.030 1 535 49 49 CYS HB2 H 3.100 0.030 2 536 49 49 CYS HB3 H 3.862 0.030 2 537 49 49 CYS C C 175.552 0.300 1 538 49 49 CYS CA C 65.241 0.300 1 539 49 49 CYS CB C 28.057 0.300 1 540 49 49 CYS N N 120.051 0.300 1 541 50 50 VAL H H 8.273 0.030 1 542 50 50 VAL HA H 2.760 0.030 1 543 50 50 VAL HB H 1.902 0.030 1 544 50 50 VAL HG1 H 0.458 0.030 1 545 50 50 VAL HG2 H 0.778 0.030 1 546 50 50 VAL C C 177.658 0.300 1 547 50 50 VAL CA C 66.544 0.300 1 548 50 50 VAL CB C 31.750 0.300 1 549 50 50 VAL CG1 C 21.938 0.300 2 550 50 50 VAL CG2 C 21.592 0.300 2 551 50 50 VAL N N 121.381 0.300 1 552 51 51 LEU H H 8.065 0.030 1 553 51 51 LEU HA H 4.085 0.030 1 554 51 51 LEU HB2 H 1.747 0.030 1 555 51 51 LEU HB3 H 1.747 0.030 1 556 51 51 LEU HD1 H 0.921 0.030 1 557 51 51 LEU HD2 H 0.823 0.030 1 558 51 51 LEU HG H 1.662 0.030 1 559 51 51 LEU C C 178.503 0.300 1 560 51 51 LEU CA C 58.080 0.300 1 561 51 51 LEU CB C 41.676 0.300 1 562 51 51 LEU CD1 C 24.217 0.300 2 563 51 51 LEU CD2 C 24.467 0.300 2 564 51 51 LEU CG C 27.080 0.300 1 565 51 51 LEU N N 118.801 0.300 1 566 52 52 TYR H H 8.026 0.030 1 567 52 52 TYR HA H 3.676 0.030 1 568 52 52 TYR HB2 H 2.598 0.030 2 569 52 52 TYR HB3 H 2.251 0.030 2 570 52 52 TYR HD1 H 5.063 0.030 1 571 52 52 TYR HD2 H 5.063 0.030 1 572 52 52 TYR HE1 H 5.776 0.030 1 573 52 52 TYR HE2 H 5.776 0.030 1 574 52 52 TYR C C 177.810 0.300 1 575 52 52 TYR CA C 61.796 0.300 1 576 52 52 TYR CB C 39.097 0.300 1 577 52 52 TYR CD1 C 131.239 0.300 1 578 52 52 TYR CD2 C 131.239 0.300 1 579 52 52 TYR CE1 C 116.311 0.300 1 580 52 52 TYR CE2 C 116.311 0.300 1 581 52 52 TYR N N 119.034 0.300 1 582 53 53 TYR H H 8.078 0.030 1 583 53 53 TYR HA H 3.681 0.030 1 584 53 53 TYR HB2 H 3.353 0.030 2 585 53 53 TYR HB3 H 3.187 0.030 2 586 53 53 TYR HD1 H 6.643 0.030 1 587 53 53 TYR HD2 H 6.643 0.030 1 588 53 53 TYR HE1 H 6.596 0.030 1 589 53 53 TYR HE2 H 6.596 0.030 1 590 53 53 TYR C C 176.852 0.300 1 591 53 53 TYR CA C 60.966 0.300 1 592 53 53 TYR CB C 38.750 0.300 1 593 53 53 TYR CD1 C 133.023 0.300 1 594 53 53 TYR CD2 C 133.023 0.300 1 595 53 53 TYR CE1 C 118.263 0.300 1 596 53 53 TYR CE2 C 118.263 0.300 1 597 53 53 TYR N N 119.583 0.300 1 598 54 54 TYR H H 8.040 0.030 1 599 54 54 TYR HA H 3.791 0.030 1 600 54 54 TYR HB2 H 2.918 0.030 2 601 54 54 TYR HB3 H 3.049 0.030 2 602 54 54 TYR HD1 H 7.205 0.030 1 603 54 54 TYR HD2 H 7.205 0.030 1 604 54 54 TYR HE1 H 6.898 0.030 1 605 54 54 TYR HE2 H 6.898 0.030 1 606 54 54 TYR C C 178.106 0.300 1 607 54 54 TYR CA C 61.875 0.300 1 608 54 54 TYR CB C 38.000 0.300 1 609 54 54 TYR CD1 C 133.072 0.300 1 610 54 54 TYR CD2 C 133.072 0.300 1 611 54 54 TYR CE1 C 118.048 0.300 1 612 54 54 TYR CE2 C 118.048 0.300 1 613 54 54 TYR N N 117.000 0.300 1 614 55 55 LEU H H 8.203 0.030 1 615 55 55 LEU HA H 4.040 0.030 1 616 55 55 LEU HB2 H 1.633 0.030 2 617 55 55 LEU HB3 H 1.391 0.030 2 618 55 55 LEU HD1 H 0.793 0.030 1 619 55 55 LEU HD2 H 0.823 0.030 1 620 55 55 LEU HG H 1.681 0.030 1 621 55 55 LEU C C 178.865 0.300 1 622 55 55 LEU CA C 56.843 0.300 1 623 55 55 LEU CB C 42.082 0.300 1 624 55 55 LEU CD1 C 23.198 0.300 2 625 55 55 LEU CD2 C 25.303 0.300 2 626 55 55 LEU CG C 26.733 0.300 1 627 55 55 LEU N N 118.564 0.300 1 628 56 56 THR H H 7.337 0.030 1 629 56 56 THR HA H 3.990 0.030 1 630 56 56 THR HB H 3.824 0.030 1 631 56 56 THR HG2 H 0.557 0.030 1 632 56 56 THR C C 175.415 0.300 1 633 56 56 THR CA C 62.847 0.300 1 634 56 56 THR CB C 69.643 0.300 1 635 56 56 THR CG2 C 20.900 0.300 1 636 56 56 THR N N 109.585 0.300 1 637 57 57 LYS H H 7.447 0.030 1 638 57 57 LYS HA H 3.985 0.030 1 639 57 57 LYS HB2 H 1.417 0.030 1 640 57 57 LYS HB3 H 1.417 0.030 1 641 57 57 LYS HD2 H 1.343 0.030 1 642 57 57 LYS HD3 H 1.343 0.030 1 643 57 57 LYS HE2 H 2.838 0.030 2 644 57 57 LYS HE3 H 2.877 0.030 2 645 57 57 LYS HG2 H 1.110 0.030 2 646 57 57 LYS HG3 H 1.048 0.030 2 647 57 57 LYS C C 176.700 0.300 1 648 57 57 LYS CA C 56.468 0.300 1 649 57 57 LYS CB C 31.586 0.300 1 650 57 57 LYS CD C 28.581 0.300 1 651 57 57 LYS CE C 41.864 0.300 1 652 57 57 LYS CG C 23.443 0.300 1 653 57 57 LYS N N 122.606 0.300 1 654 58 58 LYS H H 7.971 0.030 1 655 58 58 LYS HA H 4.142 0.030 1 656 58 58 LYS HB2 H 1.656 0.030 2 657 58 58 LYS HB3 H 1.738 0.030 2 658 58 58 LYS HD2 H 1.591 0.030 1 659 58 58 LYS HD3 H 1.591 0.030 1 660 58 58 LYS HE2 H 2.919 0.030 1 661 58 58 LYS HE3 H 2.919 0.030 1 662 58 58 LYS HG2 H 1.353 0.030 2 663 58 58 LYS HG3 H 1.312 0.030 2 664 58 58 LYS C C 176.440 0.300 1 665 58 58 LYS CA C 56.533 0.300 1 666 58 58 LYS CB C 32.655 0.300 1 667 58 58 LYS CD C 28.927 0.300 1 668 58 58 LYS CE C 42.049 0.300 1 669 58 58 LYS CG C 24.475 0.300 1 670 58 58 LYS N N 121.515 0.300 1 671 59 59 ASN H H 8.241 0.030 1 672 59 59 ASN HA H 4.658 0.030 1 673 59 59 ASN HB2 H 2.814 0.030 2 674 59 59 ASN HB3 H 2.689 0.030 2 675 59 59 ASN HD21 H 7.577 0.030 2 676 59 59 ASN HD22 H 6.902 0.030 2 677 59 59 ASN C C 174.970 0.300 1 678 59 59 ASN CA C 53.431 0.300 1 679 59 59 ASN CB C 38.872 0.300 1 680 59 59 ASN N N 118.893 0.300 1 681 59 59 ASN ND2 N 113.272 0.300 1 682 60 60 GLU H H 8.205 0.030 1 683 60 60 GLU HA H 4.307 0.030 1 684 60 60 GLU HB2 H 2.098 0.030 2 685 60 60 GLU HB3 H 1.902 0.030 2 686 60 60 GLU HG2 H 2.260 0.030 2 687 60 60 GLU HG3 H 2.219 0.030 2 688 60 60 GLU C C 175.254 0.300 1 689 60 60 GLU CA C 56.490 0.300 1 690 60 60 GLU CB C 30.502 0.300 1 691 60 60 GLU CG C 36.278 0.300 1 692 60 60 GLU N N 121.093 0.300 1 693 61 61 ASN H H 8.048 0.030 1 694 61 61 ASN HA H 4.463 0.030 1 695 61 61 ASN HB2 H 2.668 0.030 2 696 61 61 ASN HB3 H 2.776 0.030 2 697 61 61 ASN C C 179.495 0.300 1 698 61 61 ASN CA C 54.837 0.300 1 699 61 61 ASN CB C 40.480 0.300 1 700 61 61 ASN N N 124.426 0.300 1 stop_ save_