data_11317 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the RING domain of the Tripartite motif protein 32 ; _BMRB_accession_number 11317 _BMRB_flat_file_name bmr11317.str _Entry_type original _Submission_date 2010-08-10 _Accession_date 2010-08-10 _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 Miyamoto K. . . 2 Tochio N. . . 3 Sato M. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kigawa T. . . 7 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" 470 "13C chemical shifts" 352 "15N chemical shifts" 81 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-19 original author . stop_ _Original_release_date 2011-08-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of the RING domain of the Tripartite motif protein 32' _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 Miyamoto K. . . 2 Tochio N. . . 3 Sato M. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kigawa T. . . 7 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 'Tripartite motif protein 32' _Enzyme_commission_number E.C.6.3.2.- loop_ _Mol_system_component_name _Mol_label 'RING domain' $entity_1 'ZINC ION no.1' $ZN 'ZINC ION no.2' $ZN 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 'RING domain' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 88 _Mol_residue_sequence ; GSSGSSGNLDALREVLECPI CMESFTEEQLRPKLLHCGHT ICRQCLEKLLASSINGVRCP FCSKITRITSLTQLTDNLTV LKSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASN 9 LEU 10 ASP 11 ALA 12 LEU 13 ARG 14 GLU 15 VAL 16 LEU 17 GLU 18 CYS 19 PRO 20 ILE 21 CYS 22 MET 23 GLU 24 SER 25 PHE 26 THR 27 GLU 28 GLU 29 GLN 30 LEU 31 ARG 32 PRO 33 LYS 34 LEU 35 LEU 36 HIS 37 CYS 38 GLY 39 HIS 40 THR 41 ILE 42 CYS 43 ARG 44 GLN 45 CYS 46 LEU 47 GLU 48 LYS 49 LEU 50 LEU 51 ALA 52 SER 53 SER 54 ILE 55 ASN 56 GLY 57 VAL 58 ARG 59 CYS 60 PRO 61 PHE 62 CYS 63 SER 64 LYS 65 ILE 66 THR 67 ARG 68 ILE 69 THR 70 SER 71 LEU 72 THR 73 GLN 74 LEU 75 THR 76 ASP 77 ASN 78 LEU 79 THR 80 VAL 81 LEU 82 LYS 83 SER 84 GLY 85 PRO 86 SER 87 SER 88 GLY 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 2CT2 "Solution Structure Of The Ring Domain Of The Tripartite Motif Protein 32" 100.00 88 100.00 100.00 9.46e-55 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_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_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P041101-17 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.47mM RING domain U-13C, {15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZNCl2;} 0.1mM {NTA;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.47 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' ZnCl2 0.05 mM 'natural abundance' NTA 0.1 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . 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 0.925 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 Bruker _Model AVANCE _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-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 298 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 $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-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 'RING 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 C C 175.020 0.300 1 2 6 6 SER CA C 58.731 0.300 1 3 6 6 SER CB C 63.992 0.300 1 4 7 7 GLY H H 8.409 0.030 1 5 7 7 GLY HA2 H 3.964 0.030 2 6 7 7 GLY HA3 H 4.037 0.030 2 7 7 7 GLY C C 173.869 0.300 1 8 7 7 GLY CA C 45.407 0.300 1 9 7 7 GLY N N 110.461 0.300 1 10 8 8 ASN H H 8.300 0.030 1 11 8 8 ASN HA H 4.723 0.030 1 12 8 8 ASN HB2 H 2.769 0.030 2 13 8 8 ASN HB3 H 2.854 0.030 2 14 8 8 ASN HD21 H 6.946 0.030 2 15 8 8 ASN HD22 H 7.604 0.030 2 16 8 8 ASN C C 175.553 0.300 1 17 8 8 ASN CA C 53.323 0.300 1 18 8 8 ASN CB C 38.848 0.300 1 19 8 8 ASN N N 118.712 0.300 1 20 8 8 ASN ND2 N 112.757 0.300 1 21 9 9 LEU H H 8.337 0.030 1 22 9 9 LEU HA H 4.293 0.030 1 23 9 9 LEU HB2 H 1.602 0.030 2 24 9 9 LEU HB3 H 1.679 0.030 2 25 9 9 LEU HD1 H 0.853 0.030 1 26 9 9 LEU HD2 H 0.897 0.030 1 27 9 9 LEU HG H 1.629 0.030 1 28 9 9 LEU C C 177.588 0.300 1 29 9 9 LEU CA C 55.616 0.300 1 30 9 9 LEU CB C 42.210 0.300 1 31 9 9 LEU CD1 C 25.050 0.300 1 32 9 9 LEU CD2 C 25.050 0.300 1 33 9 9 LEU CG C 27.046 0.300 1 34 9 9 LEU N N 122.642 0.300 1 35 10 10 ASP H H 8.280 0.030 1 36 10 10 ASP HA H 4.524 0.030 1 37 10 10 ASP HB2 H 2.702 0.030 2 38 10 10 ASP HB3 H 2.635 0.030 2 39 10 10 ASP C C 176.522 0.300 1 40 10 10 ASP CA C 55.014 0.300 1 41 10 10 ASP CB C 40.951 0.300 1 42 10 10 ASP N N 120.621 0.300 1 43 11 11 ALA H H 8.055 0.030 1 44 11 11 ALA HA H 4.251 0.030 1 45 11 11 ALA HB H 1.381 0.030 1 46 11 11 ALA C C 178.036 0.300 1 47 11 11 ALA CA C 53.000 0.300 1 48 11 11 ALA CB C 19.186 0.300 1 49 11 11 ALA N N 123.480 0.300 1 50 12 12 LEU H H 8.038 0.030 1 51 12 12 LEU HA H 4.289 0.030 1 52 12 12 LEU HB2 H 1.594 0.030 2 53 12 12 LEU HB3 H 1.689 0.030 2 54 12 12 LEU HD1 H 0.821 0.030 1 55 12 12 LEU HD2 H 0.850 0.030 1 56 12 12 LEU HG H 1.616 0.030 1 57 12 12 LEU C C 177.443 0.300 1 58 12 12 LEU CA C 55.360 0.300 1 59 12 12 LEU CB C 41.978 0.300 1 60 12 12 LEU CD1 C 23.410 0.300 2 61 12 12 LEU CD2 C 23.414 0.300 2 62 12 12 LEU CG C 27.105 0.300 1 63 12 12 LEU N N 119.754 0.300 1 64 13 13 ARG H H 7.995 0.030 1 65 13 13 ARG HA H 4.305 0.030 1 66 13 13 ARG HB2 H 1.866 0.030 2 67 13 13 ARG HB3 H 1.795 0.030 2 68 13 13 ARG HD2 H 3.203 0.030 1 69 13 13 ARG HD3 H 3.203 0.030 1 70 13 13 ARG HG2 H 1.626 0.030 1 71 13 13 ARG HG3 H 1.626 0.030 1 72 13 13 ARG C C 176.183 0.300 1 73 13 13 ARG CA C 56.448 0.300 1 74 13 13 ARG CB C 30.927 0.300 1 75 13 13 ARG CD C 43.464 0.300 1 76 13 13 ARG CG C 27.046 0.300 1 77 13 13 ARG N N 120.835 0.300 1 78 14 14 GLU H H 8.315 0.030 1 79 14 14 GLU HA H 4.309 0.030 1 80 14 14 GLU HB2 H 1.929 0.030 2 81 14 14 GLU HB3 H 2.029 0.030 2 82 14 14 GLU HG2 H 2.197 0.030 2 83 14 14 GLU HG3 H 2.248 0.030 2 84 14 14 GLU C C 175.929 0.300 1 85 14 14 GLU CA C 56.574 0.300 1 86 14 14 GLU CB C 30.393 0.300 1 87 14 14 GLU CG C 36.395 0.300 1 88 14 14 GLU N N 121.432 0.300 1 89 15 15 VAL H H 8.047 0.030 1 90 15 15 VAL HA H 4.241 0.030 1 91 15 15 VAL HB H 2.183 0.030 1 92 15 15 VAL HG1 H 1.020 0.030 1 93 15 15 VAL HG2 H 1.074 0.030 1 94 15 15 VAL C C 175.516 0.300 1 95 15 15 VAL CA C 62.257 0.300 1 96 15 15 VAL CB C 32.847 0.300 1 97 15 15 VAL CG1 C 20.611 0.300 2 98 15 15 VAL CG2 C 21.871 0.300 2 99 15 15 VAL N N 120.861 0.300 1 100 16 16 LEU H H 8.400 0.030 1 101 16 16 LEU HA H 4.601 0.030 1 102 16 16 LEU HB2 H 1.713 0.030 1 103 16 16 LEU HB3 H 1.713 0.030 1 104 16 16 LEU HD1 H 0.949 0.030 1 105 16 16 LEU HD2 H 0.902 0.030 1 106 16 16 LEU HG H 1.678 0.030 1 107 16 16 LEU C C 175.977 0.300 1 108 16 16 LEU CA C 55.104 0.300 1 109 16 16 LEU CB C 42.965 0.300 1 110 16 16 LEU CD1 C 25.396 0.300 2 111 16 16 LEU CD2 C 23.326 0.300 2 112 16 16 LEU CG C 27.269 0.300 1 113 16 16 LEU N N 123.974 0.300 1 114 17 17 GLU H H 7.516 0.030 1 115 17 17 GLU HA H 4.230 0.030 1 116 17 17 GLU HB2 H 1.489 0.030 1 117 17 17 GLU HB3 H 1.489 0.030 1 118 17 17 GLU HG2 H 1.809 0.030 2 119 17 17 GLU HG3 H 1.923 0.030 2 120 17 17 GLU C C 174.099 0.300 1 121 17 17 GLU CA C 53.805 0.300 1 122 17 17 GLU CB C 32.031 0.300 1 123 17 17 GLU CG C 35.490 0.300 1 124 17 17 GLU N N 117.885 0.300 1 125 18 18 CYS H H 8.028 0.030 1 126 18 18 CYS HA H 4.411 0.030 1 127 18 18 CYS HB2 H 3.518 0.030 2 128 18 18 CYS HB3 H 2.463 0.030 2 129 18 18 CYS C C 176.013 0.300 1 130 18 18 CYS CA C 56.651 0.300 1 131 18 18 CYS CB C 31.474 0.300 1 132 18 18 CYS N N 125.737 0.300 1 133 19 19 PRO HA H 4.591 0.030 1 134 19 19 PRO HB2 H 2.145 0.030 2 135 19 19 PRO HB3 H 1.863 0.030 2 136 19 19 PRO HD2 H 4.086 0.030 2 137 19 19 PRO HD3 H 4.641 0.030 2 138 19 19 PRO HG2 H 1.957 0.030 2 139 19 19 PRO HG3 H 2.137 0.030 2 140 19 19 PRO C C 176.546 0.300 1 141 19 19 PRO CA C 63.996 0.300 1 142 19 19 PRO CB C 31.812 0.300 1 143 19 19 PRO CD C 51.521 0.300 1 144 19 19 PRO CG C 28.082 0.300 1 145 20 20 ILE H H 8.878 0.030 1 146 20 20 ILE HA H 4.258 0.030 1 147 20 20 ILE HB H 2.763 0.030 1 148 20 20 ILE HD1 H 0.885 0.030 1 149 20 20 ILE HG12 H 1.241 0.030 2 150 20 20 ILE HG13 H 1.643 0.030 2 151 20 20 ILE HG2 H 0.941 0.030 1 152 20 20 ILE C C 176.583 0.300 1 153 20 20 ILE CA C 63.688 0.300 1 154 20 20 ILE CB C 36.987 0.300 1 155 20 20 ILE CD1 C 13.592 0.300 1 156 20 20 ILE CG1 C 28.009 0.300 1 157 20 20 ILE CG2 C 17.938 0.300 1 158 20 20 ILE N N 121.729 0.300 1 159 21 21 CYS H H 7.858 0.030 1 160 21 21 CYS HA H 4.590 0.030 1 161 21 21 CYS HB2 H 3.140 0.030 2 162 21 21 CYS HB3 H 2.625 0.030 2 163 21 21 CYS C C 176.171 0.300 1 164 21 21 CYS CA C 59.354 0.300 1 165 21 21 CYS CB C 31.605 0.300 1 166 21 21 CYS N N 118.036 0.300 1 167 22 22 MET H H 7.944 0.030 1 168 22 22 MET HA H 4.245 0.030 1 169 22 22 MET HB2 H 2.280 0.030 2 170 22 22 MET HB3 H 2.221 0.030 2 171 22 22 MET HE H 2.029 0.030 1 172 22 22 MET HG2 H 2.440 0.030 2 173 22 22 MET HG3 H 2.334 0.030 2 174 22 22 MET C C 175.008 0.300 1 175 22 22 MET CA C 57.020 0.300 1 176 22 22 MET CB C 28.660 0.300 1 177 22 22 MET CE C 17.068 0.300 1 178 22 22 MET CG C 32.860 0.300 1 179 22 22 MET N N 117.168 0.300 1 180 23 23 GLU H H 7.956 0.030 1 181 23 23 GLU HA H 4.477 0.030 1 182 23 23 GLU HB2 H 1.936 0.030 2 183 23 23 GLU HB3 H 2.116 0.030 2 184 23 23 GLU HG2 H 2.203 0.030 2 185 23 23 GLU HG3 H 2.323 0.030 2 186 23 23 GLU C C 176.498 0.300 1 187 23 23 GLU CA C 55.484 0.300 1 188 23 23 GLU CB C 31.192 0.300 1 189 23 23 GLU CG C 36.159 0.300 1 190 23 23 GLU N N 119.154 0.300 1 191 24 24 SER H H 8.522 0.030 1 192 24 24 SER HA H 4.429 0.030 1 193 24 24 SER HB2 H 3.759 0.030 2 194 24 24 SER HB3 H 3.905 0.030 2 195 24 24 SER C C 174.390 0.300 1 196 24 24 SER CA C 59.134 0.300 1 197 24 24 SER CB C 63.688 0.300 1 198 24 24 SER N N 116.499 0.300 1 199 25 25 PHE H H 7.848 0.030 1 200 25 25 PHE HA H 4.915 0.030 1 201 25 25 PHE HB2 H 3.207 0.030 2 202 25 25 PHE HB3 H 2.763 0.030 2 203 25 25 PHE HD1 H 7.319 0.030 1 204 25 25 PHE HD2 H 7.319 0.030 1 205 25 25 PHE HE1 H 7.107 0.030 1 206 25 25 PHE HE2 H 7.107 0.030 1 207 25 25 PHE HZ H 7.048 0.030 1 208 25 25 PHE C C 176.207 0.300 1 209 25 25 PHE CA C 58.282 0.300 1 210 25 25 PHE CB C 39.823 0.300 1 211 25 25 PHE CD1 C 131.992 0.300 1 212 25 25 PHE CD2 C 131.992 0.300 1 213 25 25 PHE CE1 C 130.725 0.300 1 214 25 25 PHE CE2 C 130.725 0.300 1 215 25 25 PHE CZ C 129.184 0.300 1 216 25 25 PHE N N 120.977 0.300 1 217 26 26 THR H H 7.821 0.030 1 218 26 26 THR HA H 4.699 0.030 1 219 26 26 THR HB H 4.586 0.030 1 220 26 26 THR HG2 H 1.296 0.030 1 221 26 26 THR C C 173.808 0.300 1 222 26 26 THR CA C 59.980 0.300 1 223 26 26 THR CB C 72.085 0.300 1 224 26 26 THR CG2 C 22.123 0.300 1 225 26 26 THR N N 111.045 0.300 1 226 27 27 GLU H H 8.557 0.030 1 227 27 27 GLU HA H 4.127 0.030 1 228 27 27 GLU HB2 H 2.042 0.030 2 229 27 27 GLU HB3 H 2.151 0.030 2 230 27 27 GLU HG2 H 2.337 0.030 2 231 27 27 GLU HG3 H 2.288 0.030 2 232 27 27 GLU CA C 58.099 0.300 1 233 27 27 GLU CB C 30.437 0.300 1 234 27 27 GLU CG C 36.886 0.300 1 235 27 27 GLU N N 116.533 0.300 1 236 28 28 GLU H H 8.072 0.030 1 237 28 28 GLU HA H 4.483 0.030 1 238 28 28 GLU HB2 H 1.993 0.030 2 239 28 28 GLU HB3 H 2.121 0.030 2 240 28 28 GLU HG2 H 2.200 0.030 2 241 28 28 GLU HG3 H 2.252 0.030 2 242 28 28 GLU C C 176.716 0.300 1 243 28 28 GLU CA C 57.168 0.300 1 244 28 28 GLU CB C 30.287 0.300 1 245 28 28 GLU CG C 36.366 0.300 1 246 28 28 GLU N N 118.107 0.300 1 247 29 29 GLN H H 8.238 0.030 1 248 29 29 GLN HA H 4.205 0.030 1 249 29 29 GLN HB2 H 2.128 0.030 2 250 29 29 GLN HB3 H 2.298 0.030 2 251 29 29 GLN HE21 H 7.647 0.030 2 252 29 29 GLN HE22 H 6.940 0.030 2 253 29 29 GLN HG2 H 2.470 0.030 1 254 29 29 GLN HG3 H 2.470 0.030 1 255 29 29 GLN C C 175.965 0.300 1 256 29 29 GLN CA C 58.306 0.300 1 257 29 29 GLN CB C 29.030 0.300 1 258 29 29 GLN CG C 34.089 0.300 1 259 29 29 GLN N N 119.267 0.300 1 260 29 29 GLN NE2 N 112.431 0.300 1 261 30 30 LEU H H 7.512 0.030 1 262 30 30 LEU HA H 4.734 0.030 1 263 30 30 LEU HB2 H 1.874 0.030 2 264 30 30 LEU HB3 H 1.945 0.030 2 265 30 30 LEU HD1 H 0.950 0.030 1 266 30 30 LEU HD2 H 0.953 0.030 1 267 30 30 LEU HG H 1.715 0.030 1 268 30 30 LEU C C 176.292 0.300 1 269 30 30 LEU CA C 54.414 0.300 1 270 30 30 LEU CB C 40.375 0.300 1 271 30 30 LEU CD1 C 25.810 0.300 2 272 30 30 LEU CD2 C 25.804 0.300 2 273 30 30 LEU CG C 28.501 0.300 1 274 30 30 LEU N N 119.428 0.300 1 275 31 31 ARG H H 7.089 0.030 1 276 31 31 ARG HA H 4.794 0.030 1 277 31 31 ARG HB2 H 1.630 0.030 2 278 31 31 ARG HB3 H 1.748 0.030 2 279 31 31 ARG HD2 H 3.250 0.030 2 280 31 31 ARG HD3 H 3.144 0.030 2 281 31 31 ARG HG2 H 1.613 0.030 1 282 31 31 ARG HG3 H 1.613 0.030 1 283 31 31 ARG C C 175.044 0.300 1 284 31 31 ARG CA C 54.740 0.300 1 285 31 31 ARG CB C 30.981 0.300 1 286 31 31 ARG CD C 43.412 0.300 1 287 31 31 ARG CG C 27.673 0.300 1 288 31 31 ARG N N 121.423 0.300 1 289 32 32 PRO HA H 4.113 0.030 1 290 32 32 PRO HB2 H 1.333 0.030 1 291 32 32 PRO HB3 H 1.333 0.030 1 292 32 32 PRO HD2 H 3.728 0.030 2 293 32 32 PRO HD3 H 3.461 0.030 2 294 32 32 PRO HG2 H 1.849 0.030 2 295 32 32 PRO HG3 H 1.295 0.030 2 296 32 32 PRO C C 175.577 0.300 1 297 32 32 PRO CA C 62.446 0.300 1 298 32 32 PRO CB C 31.599 0.300 1 299 32 32 PRO CD C 50.387 0.300 1 300 32 32 PRO CG C 27.466 0.300 1 301 33 33 LYS H H 8.483 0.030 1 302 33 33 LYS HA H 4.763 0.030 1 303 33 33 LYS HB2 H 1.884 0.030 2 304 33 33 LYS HB3 H 1.459 0.030 2 305 33 33 LYS HD2 H 1.487 0.030 2 306 33 33 LYS HD3 H 1.707 0.030 2 307 33 33 LYS HE2 H 2.659 0.030 2 308 33 33 LYS HE3 H 2.890 0.030 2 309 33 33 LYS HG2 H 1.169 0.030 2 310 33 33 LYS HG3 H 1.692 0.030 2 311 33 33 LYS C C 174.378 0.300 1 312 33 33 LYS CA C 52.704 0.300 1 313 33 33 LYS CB C 33.726 0.300 1 314 33 33 LYS CD C 27.434 0.300 1 315 33 33 LYS CE C 42.369 0.300 1 316 33 33 LYS CG C 23.653 0.300 1 317 33 33 LYS N N 122.139 0.300 1 318 34 34 LEU H H 8.151 0.030 1 319 34 34 LEU HA H 4.587 0.030 1 320 34 34 LEU HB2 H 1.623 0.030 2 321 34 34 LEU HB3 H 1.256 0.030 2 322 34 34 LEU HD1 H 0.751 0.030 1 323 34 34 LEU HD2 H 0.778 0.030 1 324 34 34 LEU HG H 1.496 0.030 1 325 34 34 LEU C C 177.188 0.300 1 326 34 34 LEU CA C 54.167 0.300 1 327 34 34 LEU CB C 44.116 0.300 1 328 34 34 LEU CD1 C 24.941 0.300 2 329 34 34 LEU CD2 C 25.714 0.300 2 330 34 34 LEU CG C 27.052 0.300 1 331 34 34 LEU N N 122.382 0.300 1 332 35 35 LEU H H 8.681 0.030 1 333 35 35 LEU HA H 4.388 0.030 1 334 35 35 LEU HB2 H 1.926 0.030 2 335 35 35 LEU HB3 H 2.438 0.030 2 336 35 35 LEU HD1 H 1.024 0.030 1 337 35 35 LEU HD2 H 0.812 0.030 1 338 35 35 LEU HG H 1.811 0.030 1 339 35 35 LEU C C 179.780 0.300 1 340 35 35 LEU CA C 54.900 0.300 1 341 35 35 LEU CB C 43.746 0.300 1 342 35 35 LEU CD1 C 25.390 0.300 2 343 35 35 LEU CD2 C 22.492 0.300 2 344 35 35 LEU CG C 27.874 0.300 1 345 35 35 LEU N N 122.438 0.300 1 346 36 36 HIS H H 8.574 0.030 1 347 36 36 HIS HA H 4.568 0.030 1 348 36 36 HIS HB2 H 3.245 0.030 2 349 36 36 HIS HB3 H 3.315 0.030 2 350 36 36 HIS HD2 H 6.926 0.030 1 351 36 36 HIS HE1 H 7.767 0.030 1 352 36 36 HIS C C 175.710 0.300 1 353 36 36 HIS CA C 57.724 0.300 1 354 36 36 HIS CB C 30.985 0.300 1 355 36 36 HIS CD2 C 116.252 0.300 1 356 36 36 HIS CE1 C 138.764 0.300 1 357 36 36 HIS N N 120.198 0.300 1 358 37 37 CYS H H 7.388 0.030 1 359 37 37 CYS HA H 4.579 0.030 1 360 37 37 CYS HB2 H 3.314 0.030 2 361 37 37 CYS HB3 H 2.654 0.030 2 362 37 37 CYS C C 175.783 0.300 1 363 37 37 CYS CA C 56.969 0.300 1 364 37 37 CYS CB C 32.640 0.300 1 365 37 37 CYS N N 112.912 0.300 1 366 38 38 GLY H H 7.755 0.030 1 367 38 38 GLY HA2 H 3.549 0.030 2 368 38 38 GLY HA3 H 4.220 0.030 2 369 38 38 GLY C C 173.724 0.300 1 370 38 38 GLY CA C 45.198 0.300 1 371 38 38 GLY N N 109.828 0.300 1 372 39 39 HIS H H 7.846 0.030 1 373 39 39 HIS HA H 4.724 0.030 1 374 39 39 HIS HB2 H 3.482 0.030 2 375 39 39 HIS HB3 H 3.154 0.030 2 376 39 39 HIS HD2 H 7.200 0.030 1 377 39 39 HIS HE1 H 7.823 0.030 1 378 39 39 HIS C C 173.263 0.300 1 379 39 39 HIS CA C 60.038 0.300 1 380 39 39 HIS CB C 31.605 0.300 1 381 39 39 HIS CD2 C 119.264 0.300 1 382 39 39 HIS CE1 C 138.113 0.300 1 383 39 39 HIS N N 120.914 0.300 1 384 40 40 THR H H 8.379 0.030 1 385 40 40 THR HA H 5.337 0.030 1 386 40 40 THR HB H 3.970 0.030 1 387 40 40 THR HG2 H 0.900 0.030 1 388 40 40 THR C C 173.909 0.300 1 389 40 40 THR CA C 62.478 0.300 1 390 40 40 THR CB C 70.302 0.300 1 391 40 40 THR CG2 C 22.666 0.300 1 392 40 40 THR N N 118.292 0.300 1 393 41 41 ILE H H 8.506 0.030 1 394 41 41 ILE HA H 4.994 0.030 1 395 41 41 ILE HB H 1.789 0.030 1 396 41 41 ILE HD1 H 0.873 0.030 1 397 41 41 ILE HG12 H 1.274 0.030 2 398 41 41 ILE HG13 H 1.659 0.030 2 399 41 41 ILE HG2 H 1.217 0.030 1 400 41 41 ILE C C 174.015 0.300 1 401 41 41 ILE CA C 59.529 0.300 1 402 41 41 ILE CB C 42.841 0.300 1 403 41 41 ILE CD1 C 14.281 0.300 1 404 41 41 ILE CG1 C 27.259 0.300 1 405 41 41 ILE CG2 C 18.565 0.300 1 406 41 41 ILE N N 121.044 0.300 1 407 42 42 CYS H H 9.558 0.030 1 408 42 42 CYS HA H 5.034 0.030 1 409 42 42 CYS HB2 H 3.359 0.030 2 410 42 42 CYS HB3 H 3.026 0.030 2 411 42 42 CYS C C 176.389 0.300 1 412 42 42 CYS CA C 59.107 0.300 1 413 42 42 CYS CB C 31.620 0.300 1 414 42 42 CYS N N 127.471 0.300 1 415 43 43 ARG H H 8.631 0.030 1 416 43 43 ARG HA H 3.826 0.030 1 417 43 43 ARG HB2 H 1.965 0.030 1 418 43 43 ARG HB3 H 1.965 0.030 1 419 43 43 ARG HD2 H 3.210 0.030 1 420 43 43 ARG HD3 H 3.210 0.030 1 421 43 43 ARG HG2 H 1.702 0.030 2 422 43 43 ARG HG3 H 1.745 0.030 2 423 43 43 ARG C C 177.019 0.300 1 424 43 43 ARG CA C 60.135 0.300 1 425 43 43 ARG CB C 30.757 0.300 1 426 43 43 ARG CD C 43.645 0.300 1 427 43 43 ARG CG C 27.407 0.300 1 428 43 43 ARG N N 117.913 0.300 1 429 44 44 GLN H H 8.017 0.030 1 430 44 44 GLN HA H 4.182 0.030 1 431 44 44 GLN HB2 H 2.307 0.030 1 432 44 44 GLN HB3 H 2.307 0.030 1 433 44 44 GLN HE21 H 7.547 0.030 2 434 44 44 GLN HE22 H 6.946 0.030 2 435 44 44 GLN HG2 H 2.502 0.030 1 436 44 44 GLN HG3 H 2.502 0.030 1 437 44 44 GLN C C 179.575 0.300 1 438 44 44 GLN CA C 60.006 0.300 1 439 44 44 GLN CB C 29.318 0.300 1 440 44 44 GLN CG C 35.079 0.300 1 441 44 44 GLN N N 119.917 0.300 1 442 44 44 GLN NE2 N 112.055 0.300 1 443 45 45 CYS H H 9.401 0.030 1 444 45 45 CYS HA H 3.931 0.030 1 445 45 45 CYS HB2 H 3.118 0.030 2 446 45 45 CYS HB3 H 2.747 0.030 2 447 45 45 CYS C C 179.030 0.300 1 448 45 45 CYS CA C 65.717 0.300 1 449 45 45 CYS CB C 28.414 0.300 1 450 45 45 CYS N N 125.392 0.300 1 451 46 46 LEU H H 8.565 0.030 1 452 46 46 LEU HA H 4.014 0.030 1 453 46 46 LEU HB2 H 1.700 0.030 1 454 46 46 LEU HB3 H 1.700 0.030 1 455 46 46 LEU HD1 H 0.844 0.030 1 456 46 46 LEU HD2 H 0.843 0.030 1 457 46 46 LEU HG H 1.625 0.030 1 458 46 46 LEU C C 178.339 0.300 1 459 46 46 LEU CA C 58.164 0.300 1 460 46 46 LEU CB C 41.896 0.300 1 461 46 46 LEU CD1 C 25.810 0.300 2 462 46 46 LEU CD2 C 26.018 0.300 2 463 46 46 LEU CG C 27.259 0.300 1 464 46 46 LEU N N 120.329 0.300 1 465 47 47 GLU H H 8.586 0.030 1 466 47 47 GLU HA H 3.915 0.030 1 467 47 47 GLU HB2 H 2.125 0.030 2 468 47 47 GLU HB3 H 2.248 0.030 2 469 47 47 GLU HG2 H 2.515 0.030 2 470 47 47 GLU HG3 H 2.291 0.030 2 471 47 47 GLU C C 179.623 0.300 1 472 47 47 GLU CA C 60.298 0.300 1 473 47 47 GLU CB C 29.483 0.300 1 474 47 47 GLU CG C 37.052 0.300 1 475 47 47 GLU N N 119.478 0.300 1 476 48 48 LYS H H 7.350 0.030 1 477 48 48 LYS HA H 4.120 0.030 1 478 48 48 LYS HB2 H 1.973 0.030 1 479 48 48 LYS HB3 H 1.973 0.030 1 480 48 48 LYS HD2 H 1.693 0.030 2 481 48 48 LYS HD3 H 1.727 0.030 2 482 48 48 LYS HE2 H 2.965 0.030 1 483 48 48 LYS HE3 H 2.965 0.030 1 484 48 48 LYS HG2 H 1.452 0.030 2 485 48 48 LYS HG3 H 1.664 0.030 2 486 48 48 LYS C C 179.635 0.300 1 487 48 48 LYS CA C 59.469 0.300 1 488 48 48 LYS CB C 32.401 0.300 1 489 48 48 LYS CD C 29.536 0.300 1 490 48 48 LYS CE C 42.162 0.300 1 491 48 48 LYS CG C 25.543 0.300 1 492 48 48 LYS N N 118.768 0.300 1 493 49 49 LEU H H 7.990 0.030 1 494 49 49 LEU HA H 4.154 0.030 1 495 49 49 LEU HB2 H 1.536 0.030 2 496 49 49 LEU HB3 H 1.928 0.030 2 497 49 49 LEU HD1 H 0.816 0.030 1 498 49 49 LEU HD2 H 0.892 0.030 1 499 49 49 LEU HG H 1.838 0.030 1 500 49 49 LEU C C 180.326 0.300 1 501 49 49 LEU CA C 57.630 0.300 1 502 49 49 LEU CB C 42.266 0.300 1 503 49 49 LEU CD1 C 24.982 0.300 2 504 49 49 LEU CD2 C 22.912 0.300 2 505 49 49 LEU CG C 27.023 0.300 1 506 49 49 LEU N N 120.423 0.300 1 507 50 50 LEU H H 8.731 0.030 1 508 50 50 LEU HA H 3.973 0.030 1 509 50 50 LEU HB2 H 1.729 0.030 2 510 50 50 LEU HB3 H 1.526 0.030 2 511 50 50 LEU HD1 H 0.716 0.030 1 512 50 50 LEU HD2 H 0.718 0.030 1 513 50 50 LEU HG H 1.584 0.030 1 514 50 50 LEU C C 178.533 0.300 1 515 50 50 LEU CA C 57.552 0.300 1 516 50 50 LEU CB C 42.102 0.300 1 517 50 50 LEU CD1 C 24.808 0.300 2 518 50 50 LEU CD2 C 24.572 0.300 2 519 50 50 LEU CG C 27.046 0.300 1 520 50 50 LEU N N 121.682 0.300 1 521 51 51 ALA H H 7.686 0.030 1 522 51 51 ALA HA H 4.271 0.030 1 523 51 51 ALA HB H 1.544 0.030 1 524 51 51 ALA C C 178.727 0.300 1 525 51 51 ALA CA C 54.125 0.300 1 526 51 51 ALA CB C 18.508 0.300 1 527 51 51 ALA N N 120.010 0.300 1 528 52 52 SER H H 7.534 0.030 1 529 52 52 SER HA H 4.628 0.030 1 530 52 52 SER HB2 H 3.972 0.030 2 531 52 52 SER HB3 H 4.035 0.030 2 532 52 52 SER C C 174.390 0.300 1 533 52 52 SER CA C 58.306 0.300 1 534 52 52 SER CB C 64.216 0.300 1 535 52 52 SER N N 110.638 0.300 1 536 53 53 SER H H 7.646 0.030 1 537 53 53 SER HA H 4.676 0.030 1 538 53 53 SER HB2 H 3.920 0.030 2 539 53 53 SER HB3 H 3.992 0.030 2 540 53 53 SER C C 174.232 0.300 1 541 53 53 SER CA C 58.449 0.300 1 542 53 53 SER CB C 64.421 0.300 1 543 53 53 SER N N 117.111 0.300 1 544 54 54 ILE H H 8.358 0.030 1 545 54 54 ILE HA H 4.313 0.030 1 546 54 54 ILE HB H 1.964 0.030 1 547 54 54 ILE HD1 H 0.875 0.030 1 548 54 54 ILE HG12 H 1.183 0.030 2 549 54 54 ILE HG13 H 1.420 0.030 2 550 54 54 ILE HG2 H 0.917 0.030 1 551 54 54 ILE C C 176.150 0.300 1 552 54 54 ILE CA C 61.995 0.300 1 553 54 54 ILE CB C 38.814 0.300 1 554 54 54 ILE CD1 C 13.235 0.300 1 555 54 54 ILE CG1 C 27.173 0.300 1 556 54 54 ILE CG2 C 17.574 0.300 1 557 54 54 ILE N N 120.645 0.300 1 558 55 55 ASN H H 8.586 0.030 1 559 55 55 ASN HA H 4.723 0.030 1 560 55 55 ASN HB2 H 2.770 0.030 2 561 55 55 ASN HB3 H 2.906 0.030 2 562 55 55 ASN HD21 H 7.574 0.030 2 563 55 55 ASN HD22 H 6.893 0.030 2 564 55 55 ASN C C 176.159 0.300 1 565 55 55 ASN CA C 53.312 0.300 1 566 55 55 ASN CB C 38.460 0.300 1 567 55 55 ASN N N 119.712 0.300 1 568 55 55 ASN ND2 N 112.443 0.300 1 569 56 56 GLY H H 7.945 0.030 1 570 56 56 GLY HA2 H 3.893 0.030 2 571 56 56 GLY HA3 H 4.309 0.030 2 572 56 56 GLY C C 172.234 0.300 1 573 56 56 GLY CA C 44.808 0.300 1 574 56 56 GLY N N 107.509 0.300 1 575 57 57 VAL H H 8.370 0.030 1 576 57 57 VAL HA H 4.164 0.030 1 577 57 57 VAL HB H 1.869 0.030 1 578 57 57 VAL HG1 H 0.767 0.030 1 579 57 57 VAL HG2 H 0.810 0.030 1 580 57 57 VAL C C 173.949 0.300 1 581 57 57 VAL CA C 60.927 0.300 1 582 57 57 VAL CB C 34.296 0.300 1 583 57 57 VAL CG1 C 21.473 0.300 2 584 57 57 VAL CG2 C 21.248 0.300 2 585 57 57 VAL N N 118.213 0.300 1 586 58 58 ARG H H 8.787 0.030 1 587 58 58 ARG HA H 4.236 0.030 1 588 58 58 ARG HB2 H 1.681 0.030 2 589 58 58 ARG HB3 H 1.517 0.030 2 590 58 58 ARG HD2 H 3.137 0.030 1 591 58 58 ARG HD3 H 3.137 0.030 1 592 58 58 ARG HG2 H 1.356 0.030 2 593 58 58 ARG HG3 H 1.219 0.030 2 594 58 58 ARG C C 174.669 0.300 1 595 58 58 ARG CA C 54.943 0.300 1 596 58 58 ARG CB C 30.633 0.300 1 597 58 58 ARG CD C 43.490 0.300 1 598 58 58 ARG CG C 27.407 0.300 1 599 58 58 ARG N N 128.625 0.300 1 600 59 59 CYS H H 8.350 0.030 1 601 59 59 CYS HA H 4.245 0.030 1 602 59 59 CYS HB2 H 3.149 0.030 2 603 59 59 CYS HB3 H 3.223 0.030 2 604 59 59 CYS C C 176.304 0.300 1 605 59 59 CYS CA C 57.166 0.300 1 606 59 59 CYS CB C 31.803 0.300 1 607 59 59 CYS N N 130.205 0.300 1 608 60 60 PRO HA H 4.263 0.030 1 609 60 60 PRO HB2 H 2.086 0.030 2 610 60 60 PRO HB3 H 1.198 0.030 2 611 60 60 PRO HD2 H 3.733 0.030 2 612 60 60 PRO HD3 H 3.819 0.030 2 613 60 60 PRO HG2 H 1.293 0.030 2 614 60 60 PRO HG3 H 1.740 0.030 2 615 60 60 PRO C C 176.352 0.300 1 616 60 60 PRO CA C 63.787 0.300 1 617 60 60 PRO CB C 31.879 0.300 1 618 60 60 PRO CD C 50.515 0.300 1 619 60 60 PRO CG C 27.052 0.300 1 620 61 61 PHE H H 9.121 0.030 1 621 61 61 PHE HA H 4.498 0.030 1 622 61 61 PHE HB2 H 1.918 0.030 2 623 61 61 PHE HB3 H 2.767 0.030 2 624 61 61 PHE HD1 H 6.994 0.030 1 625 61 61 PHE HD2 H 6.994 0.030 1 626 61 61 PHE HE1 H 7.302 0.030 1 627 61 61 PHE HE2 H 7.302 0.030 1 628 61 61 PHE HZ H 7.157 0.030 1 629 61 61 PHE C C 176.910 0.300 1 630 61 61 PHE CA C 59.424 0.300 1 631 61 61 PHE CB C 38.850 0.300 1 632 61 61 PHE CD1 C 131.512 0.300 1 633 61 61 PHE CD2 C 131.512 0.300 1 634 61 61 PHE CE1 C 131.002 0.300 1 635 61 61 PHE CE2 C 131.002 0.300 1 636 61 61 PHE CZ C 130.537 0.300 1 637 61 61 PHE N N 120.124 0.300 1 638 62 62 CYS H H 8.450 0.030 1 639 62 62 CYS HA H 5.159 0.030 1 640 62 62 CYS HB2 H 3.478 0.030 2 641 62 62 CYS HB3 H 2.866 0.030 2 642 62 62 CYS C C 176.013 0.300 1 643 62 62 CYS CA C 58.549 0.300 1 644 62 62 CYS CB C 32.689 0.300 1 645 62 62 CYS N N 118.013 0.300 1 646 63 63 SER H H 7.955 0.030 1 647 63 63 SER HA H 4.216 0.030 1 648 63 63 SER HB2 H 4.035 0.030 2 649 63 63 SER HB3 H 4.230 0.030 2 650 63 63 SER C C 172.754 0.300 1 651 63 63 SER CA C 61.594 0.300 1 652 63 63 SER CB C 62.695 0.300 1 653 63 63 SER N N 115.435 0.300 1 654 64 64 LYS H H 8.106 0.030 1 655 64 64 LYS HA H 4.424 0.030 1 656 64 64 LYS HB2 H 1.860 0.030 1 657 64 64 LYS HB3 H 1.860 0.030 1 658 64 64 LYS HD2 H 1.738 0.030 2 659 64 64 LYS HD3 H 1.779 0.030 2 660 64 64 LYS HE2 H 3.071 0.030 1 661 64 64 LYS HE3 H 3.071 0.030 1 662 64 64 LYS HG2 H 1.498 0.030 2 663 64 64 LYS HG3 H 1.735 0.030 2 664 64 64 LYS C C 178.533 0.300 1 665 64 64 LYS CA C 57.526 0.300 1 666 64 64 LYS CB C 33.192 0.300 1 667 64 64 LYS CD C 29.329 0.300 1 668 64 64 LYS CE C 42.560 0.300 1 669 64 64 LYS CG C 26.431 0.300 1 670 64 64 LYS N N 122.139 0.300 1 671 65 65 ILE H H 9.050 0.030 1 672 65 65 ILE HA H 4.695 0.030 1 673 65 65 ILE HB H 1.836 0.030 1 674 65 65 ILE HD1 H 0.787 0.030 1 675 65 65 ILE HG12 H 1.067 0.030 2 676 65 65 ILE HG13 H 1.576 0.030 2 677 65 65 ILE HG2 H 0.691 0.030 1 678 65 65 ILE C C 177.237 0.300 1 679 65 65 ILE CA C 60.418 0.300 1 680 65 65 ILE CB C 38.854 0.300 1 681 65 65 ILE CD1 C 11.979 0.300 1 682 65 65 ILE CG1 C 28.065 0.300 1 683 65 65 ILE CG2 C 17.569 0.300 1 684 65 65 ILE N N 126.631 0.300 1 685 66 66 THR H H 9.327 0.030 1 686 66 66 THR HA H 4.378 0.030 1 687 66 66 THR HB H 3.965 0.030 1 688 66 66 THR HG2 H 0.553 0.030 1 689 66 66 THR C C 173.905 0.300 1 690 66 66 THR CA C 63.067 0.300 1 691 66 66 THR CB C 70.311 0.300 1 692 66 66 THR CG2 C 20.836 0.300 1 693 66 66 THR N N 127.023 0.300 1 694 67 67 ARG H H 9.198 0.030 1 695 67 67 ARG HA H 4.379 0.030 1 696 67 67 ARG HB2 H 1.843 0.030 1 697 67 67 ARG HB3 H 1.843 0.030 1 698 67 67 ARG HD2 H 3.204 0.030 1 699 67 67 ARG HD3 H 3.204 0.030 1 700 67 67 ARG HG2 H 1.511 0.030 2 701 67 67 ARG HG3 H 1.648 0.030 2 702 67 67 ARG CA C 56.237 0.300 1 703 67 67 ARG CB C 28.650 0.300 1 704 67 67 ARG CD C 43.403 0.300 1 705 67 67 ARG CG C 27.673 0.300 1 706 67 67 ARG N N 131.581 0.300 1 707 68 68 ILE H H 7.299 0.030 1 708 68 68 ILE HA H 4.702 0.030 1 709 68 68 ILE HB H 2.106 0.030 1 710 68 68 ILE HD1 H 0.668 0.030 1 711 68 68 ILE HG12 H 1.252 0.030 2 712 68 68 ILE HG13 H 0.868 0.030 2 713 68 68 ILE HG2 H 0.786 0.030 1 714 68 68 ILE CA C 59.418 0.300 1 715 68 68 ILE CB C 42.169 0.300 1 716 68 68 ILE CD1 C 14.082 0.300 1 717 68 68 ILE CG1 C 24.842 0.300 1 718 68 68 ILE CG2 C 19.549 0.300 1 719 68 68 ILE N N 117.848 0.300 1 720 69 69 THR H H 9.064 0.030 1 721 69 69 THR HA H 4.460 0.030 1 722 69 69 THR HB H 4.371 0.030 1 723 69 69 THR HG2 H 1.199 0.030 1 724 69 69 THR CA C 61.797 0.300 1 725 69 69 THR CB C 70.154 0.300 1 726 69 69 THR CG2 C 21.844 0.300 1 727 69 69 THR N N 109.989 0.300 1 728 70 70 SER H H 7.785 0.030 1 729 70 70 SER HA H 4.715 0.030 1 730 70 70 SER HB2 H 3.563 0.030 2 731 70 70 SER HB3 H 3.934 0.030 2 732 70 70 SER CA C 56.543 0.300 1 733 70 70 SER CB C 64.692 0.300 1 734 70 70 SER N N 115.122 0.300 1 735 71 71 LEU H H 9.174 0.030 1 736 71 71 LEU HA H 3.951 0.030 1 737 71 71 LEU HB2 H 1.817 0.030 2 738 71 71 LEU HB3 H 1.556 0.030 2 739 71 71 LEU HD1 H 0.929 0.030 1 740 71 71 LEU HD2 H 0.862 0.030 1 741 71 71 LEU HG H 1.786 0.030 1 742 71 71 LEU C C 178.242 0.300 1 743 71 71 LEU CA C 57.867 0.300 1 744 71 71 LEU CB C 41.748 0.300 1 745 71 71 LEU CD1 C 26.017 0.300 2 746 71 71 LEU CD2 C 24.976 0.300 2 747 71 71 LEU CG C 27.673 0.300 1 748 71 71 LEU N N 126.579 0.300 1 749 72 72 THR H H 7.850 0.030 1 750 72 72 THR HA H 4.177 0.030 1 751 72 72 THR HB H 4.325 0.030 1 752 72 72 THR HG2 H 1.284 0.030 1 753 72 72 THR C C 175.516 0.300 1 754 72 72 THR CA C 63.601 0.300 1 755 72 72 THR CB C 68.863 0.300 1 756 72 72 THR CG2 C 21.877 0.300 1 757 72 72 THR N N 109.163 0.300 1 758 73 73 GLN H H 7.563 0.030 1 759 73 73 GLN HA H 4.277 0.030 1 760 73 73 GLN HB2 H 2.333 0.030 2 761 73 73 GLN HB3 H 2.285 0.030 2 762 73 73 GLN HE21 H 7.646 0.030 2 763 73 73 GLN HE22 H 6.968 0.030 2 764 73 73 GLN HG2 H 2.328 0.030 2 765 73 73 GLN HG3 H 2.524 0.030 2 766 73 73 GLN C C 176.316 0.300 1 767 73 73 GLN CA C 56.722 0.300 1 768 73 73 GLN CB C 29.950 0.300 1 769 73 73 GLN CG C 35.124 0.300 1 770 73 73 GLN N N 118.185 0.300 1 771 73 73 GLN NE2 N 111.812 0.300 1 772 74 74 LEU H H 7.532 0.030 1 773 74 74 LEU HA H 4.763 0.030 1 774 74 74 LEU HB2 H 1.711 0.030 2 775 74 74 LEU HB3 H 1.763 0.030 2 776 74 74 LEU HD1 H 0.828 0.030 1 777 74 74 LEU HD2 H 0.894 0.030 1 778 74 74 LEU HG H 1.618 0.030 1 779 74 74 LEU C C 176.982 0.300 1 780 74 74 LEU CA C 53.615 0.300 1 781 74 74 LEU CB C 43.147 0.300 1 782 74 74 LEU CD1 C 26.638 0.300 2 783 74 74 LEU CD2 C 22.912 0.300 2 784 74 74 LEU CG C 26.845 0.300 1 785 74 74 LEU N N 118.833 0.300 1 786 75 75 THR H H 8.865 0.030 1 787 75 75 THR HA H 4.342 0.030 1 788 75 75 THR HB H 4.276 0.030 1 789 75 75 THR HG2 H 1.323 0.030 1 790 75 75 THR C C 173.663 0.300 1 791 75 75 THR CA C 61.739 0.300 1 792 75 75 THR CB C 70.240 0.300 1 793 75 75 THR CG2 C 21.877 0.300 1 794 75 75 THR N N 117.747 0.300 1 795 76 76 ASP H H 8.417 0.030 1 796 76 76 ASP HA H 4.985 0.030 1 797 76 76 ASP HB2 H 2.429 0.030 2 798 76 76 ASP HB3 H 2.544 0.030 2 799 76 76 ASP C C 176.086 0.300 1 800 76 76 ASP CA C 54.062 0.300 1 801 76 76 ASP CB C 42.101 0.300 1 802 76 76 ASP N N 122.014 0.300 1 803 77 77 ASN H H 8.185 0.030 1 804 77 77 ASN HA H 4.772 0.030 1 805 77 77 ASN HB2 H 2.706 0.030 2 806 77 77 ASN HB3 H 2.306 0.030 2 807 77 77 ASN HD21 H 7.797 0.030 2 808 77 77 ASN HD22 H 7.093 0.030 2 809 77 77 ASN C C 174.717 0.300 1 810 77 77 ASN CA C 51.625 0.300 1 811 77 77 ASN CB C 37.950 0.300 1 812 77 77 ASN N N 118.370 0.300 1 813 77 77 ASN ND2 N 113.061 0.300 1 814 78 78 LEU H H 8.259 0.030 1 815 78 78 LEU HA H 4.135 0.030 1 816 78 78 LEU HB2 H 1.634 0.030 2 817 78 78 LEU HB3 H 1.719 0.030 2 818 78 78 LEU HD1 H 0.822 0.030 1 819 78 78 LEU HD2 H 0.948 0.030 1 820 78 78 LEU HG H 1.646 0.030 1 821 78 78 LEU C C 178.424 0.300 1 822 78 78 LEU CA C 55.973 0.300 1 823 78 78 LEU CB C 41.238 0.300 1 824 78 78 LEU CD1 C 22.705 0.300 2 825 78 78 LEU CD2 C 25.189 0.300 2 826 78 78 LEU CG C 27.052 0.300 1 827 78 78 LEU N N 121.334 0.300 1 828 79 79 THR H H 8.009 0.030 1 829 79 79 THR HA H 4.132 0.030 1 830 79 79 THR HB H 4.226 0.030 1 831 79 79 THR HG2 H 1.233 0.030 1 832 79 79 THR C C 175.432 0.300 1 833 79 79 THR CA C 64.129 0.300 1 834 79 79 THR CB C 69.125 0.300 1 835 79 79 THR CG2 C 21.877 0.300 1 836 79 79 THR N N 113.216 0.300 1 837 80 80 VAL H H 7.150 0.030 1 838 80 80 VAL HA H 4.106 0.030 1 839 80 80 VAL HB H 2.213 0.030 1 840 80 80 VAL HG1 H 0.835 0.030 1 841 80 80 VAL HG2 H 0.704 0.030 1 842 80 80 VAL C C 175.553 0.300 1 843 80 80 VAL CA C 62.514 0.300 1 844 80 80 VAL CB C 31.812 0.300 1 845 80 80 VAL CG1 C 21.424 0.300 2 846 80 80 VAL CG2 C 20.263 0.300 2 847 80 80 VAL N N 116.638 0.300 1 848 81 81 LEU H H 7.578 0.030 1 849 81 81 LEU HA H 4.358 0.030 1 850 81 81 LEU HB2 H 1.622 0.030 1 851 81 81 LEU HB3 H 1.622 0.030 1 852 81 81 LEU HD1 H 0.851 0.030 1 853 81 81 LEU HD2 H 0.770 0.030 1 854 81 81 LEU HG H 1.530 0.030 1 855 81 81 LEU C C 177.007 0.300 1 856 81 81 LEU CA C 54.937 0.300 1 857 81 81 LEU CB C 42.369 0.300 1 858 81 81 LEU CD1 C 25.396 0.300 2 859 81 81 LEU CD2 C 23.486 0.300 2 860 81 81 LEU CG C 26.858 0.300 1 861 81 81 LEU N N 121.701 0.300 1 862 82 82 LYS H H 8.162 0.030 1 863 82 82 LYS HA H 4.376 0.030 1 864 82 82 LYS HB2 H 1.801 0.030 2 865 82 82 LYS HB3 H 1.891 0.030 2 866 82 82 LYS HD2 H 1.695 0.030 1 867 82 82 LYS HD3 H 1.695 0.030 1 868 82 82 LYS HE2 H 2.992 0.030 1 869 82 82 LYS HE3 H 2.992 0.030 1 870 82 82 LYS HG2 H 1.429 0.030 2 871 82 82 LYS HG3 H 1.483 0.030 2 872 82 82 LYS C C 176.462 0.300 1 873 82 82 LYS CA C 56.241 0.300 1 874 82 82 LYS CB C 32.894 0.300 1 875 82 82 LYS CD C 29.091 0.300 1 876 82 82 LYS CE C 42.149 0.300 1 877 82 82 LYS CG C 24.740 0.300 1 878 82 82 LYS N N 121.442 0.300 1 879 83 83 SER H H 8.242 0.030 1 880 83 83 SER HA H 4.516 0.030 1 881 83 83 SER HB2 H 3.891 0.030 1 882 83 83 SER HB3 H 3.891 0.030 1 883 83 83 SER C C 174.584 0.300 1 884 83 83 SER CA C 58.339 0.300 1 885 83 83 SER CB C 64.175 0.300 1 886 83 83 SER N N 116.756 0.300 1 887 84 84 GLY H H 8.277 0.030 1 888 84 84 GLY HA2 H 4.106 0.030 2 889 84 84 GLY HA3 H 4.194 0.030 2 890 84 84 GLY C C 171.822 0.300 1 891 84 84 GLY CA C 44.645 0.300 1 892 84 84 GLY N N 110.548 0.300 1 893 85 85 PRO HA H 4.501 0.030 1 894 85 85 PRO HB2 H 1.996 0.030 2 895 85 85 PRO HB3 H 2.311 0.030 2 896 85 85 PRO HD2 H 3.650 0.030 1 897 85 85 PRO HD3 H 3.650 0.030 1 898 85 85 PRO HG2 H 2.036 0.030 1 899 85 85 PRO HG3 H 2.036 0.030 1 900 85 85 PRO CA C 63.303 0.300 1 901 85 85 PRO CB C 32.224 0.300 1 902 85 85 PRO CD C 49.857 0.300 1 903 85 85 PRO CG C 27.251 0.300 1 stop_ save_