data_11302 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the N-terminal C2H2 type zinc-binding domain of the Zinc finger protein 64, isoforms 1 and 2 ; _BMRB_accession_number 11302 _BMRB_flat_file_name bmr11302.str _Entry_type original _Submission_date 2010-08-09 _Accession_date 2010-08-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yoneyama M. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 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" 501 "13C chemical shifts" 373 "15N chemical shifts" 75 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 N-terminal C2H2 type zinc-binding domain of the Zinc finger protein 64, isoforms 1 and 2 ; _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 Yoneyama M. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 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 'Zinc finger protein 64, isoforms 1 and 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C2H2-type zinc-binding domain' $entity_1 'ZINC ION no.1' $ZN 'ZINC ION no.2' $ZN 'ZINC ION no.3' $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 'C2H2-type zinc-binding domain' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; GSSGSSGPHKCEVCGKCFSR KDKLKTHMRCHTGVKPYKCK TCDYAAADSSSLNKHLRIHS DERPFKCQICPYASRNSSQL TVHLRSHTGDSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 HIS 10 LYS 11 CYS 12 GLU 13 VAL 14 CYS 15 GLY 16 LYS 17 CYS 18 PHE 19 SER 20 ARG 21 LYS 22 ASP 23 LYS 24 LEU 25 LYS 26 THR 27 HIS 28 MET 29 ARG 30 CYS 31 HIS 32 THR 33 GLY 34 VAL 35 LYS 36 PRO 37 TYR 38 LYS 39 CYS 40 LYS 41 THR 42 CYS 43 ASP 44 TYR 45 ALA 46 ALA 47 ALA 48 ASP 49 SER 50 SER 51 SER 52 LEU 53 ASN 54 LYS 55 HIS 56 LEU 57 ARG 58 ILE 59 HIS 60 SER 61 ASP 62 GLU 63 ARG 64 PRO 65 PHE 66 LYS 67 CYS 68 GLN 69 ILE 70 CYS 71 PRO 72 TYR 73 ALA 74 SER 75 ARG 76 ASN 77 SER 78 SER 79 GLN 80 LEU 81 THR 82 VAL 83 HIS 84 LEU 85 ARG 86 SER 87 HIS 88 THR 89 GLY 90 ASP 91 SER 92 GLY 93 PRO 94 SER 95 SER 96 GLY 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 2DMD "Solution Structure Of The N-Terminal C2h2 Type Zinc-Binding Domain Of The Zinc Finger Protein 64, Isoforms 1 And 2" 100.00 96 100.00 100.00 8.05e-62 GB EDL06563 "zinc finger protein 64, isoform CRA_c [Mus musculus]" 85.42 272 98.78 98.78 4.99e-51 REF XP_012374462 "PREDICTED: zinc finger protein 64 isoform X6 [Dasypus novemcinctus]" 85.42 337 98.78 98.78 2.02e-50 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 P050815-12 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.28mM C2H2 type zinc-binding domain U-15N, {13C;} 20mM d-Tris {HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 50uM ZnCl2 + 1mM {IDA;} 10% D2O, 90% H2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.28 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 50 uM 'natural abundance' IDA 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 20030801 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 0.9736 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 800 _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 296 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 'C2H2-type zinc-binding 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 4.487 0.030 1 2 6 6 SER CA C 58.140 0.300 1 3 7 7 GLY HA2 H 4.005 0.030 2 4 7 7 GLY HA3 H 3.852 0.030 2 5 7 7 GLY CA C 44.543 0.300 1 6 8 8 PRO HA H 4.344 0.030 1 7 8 8 PRO HB2 H 2.070 0.030 2 8 8 8 PRO HB3 H 1.500 0.030 2 9 8 8 PRO HD2 H 3.565 0.030 1 10 8 8 PRO HD3 H 3.565 0.030 1 11 8 8 PRO HG2 H 1.929 0.030 2 12 8 8 PRO HG3 H 1.468 0.030 2 13 8 8 PRO C C 176.368 0.300 1 14 8 8 PRO CA C 63.380 0.300 1 15 8 8 PRO CB C 32.300 0.300 1 16 8 8 PRO CD C 49.902 0.300 1 17 8 8 PRO CG C 26.371 0.300 1 18 9 9 HIS H H 7.831 0.030 1 19 9 9 HIS HA H 4.689 0.030 1 20 9 9 HIS HB2 H 3.024 0.030 2 21 9 9 HIS HB3 H 2.855 0.030 2 22 9 9 HIS HD2 H 6.592 0.030 1 23 9 9 HIS C C 173.850 0.300 1 24 9 9 HIS CA C 55.371 0.300 1 25 9 9 HIS CB C 30.450 0.300 1 26 9 9 HIS CD2 C 119.438 0.300 1 27 9 9 HIS N N 119.906 0.300 1 28 10 10 LYS H H 8.551 0.030 1 29 10 10 LYS HA H 4.910 0.030 1 30 10 10 LYS HB2 H 1.678 0.030 2 31 10 10 LYS HB3 H 1.580 0.030 2 32 10 10 LYS HD2 H 1.551 0.030 1 33 10 10 LYS HD3 H 1.551 0.030 1 34 10 10 LYS HE2 H 2.907 0.030 1 35 10 10 LYS HE3 H 2.907 0.030 1 36 10 10 LYS HG2 H 1.221 0.030 2 37 10 10 LYS HG3 H 1.061 0.030 2 38 10 10 LYS C C 175.439 0.300 1 39 10 10 LYS CA C 55.295 0.300 1 40 10 10 LYS CB C 35.637 0.300 1 41 10 10 LYS CD C 29.568 0.300 1 42 10 10 LYS CE C 41.984 0.300 1 43 10 10 LYS CG C 24.338 0.300 1 44 10 10 LYS N N 126.944 0.300 1 45 11 11 CYS H H 9.290 0.030 1 46 11 11 CYS HA H 4.546 0.030 1 47 11 11 CYS HB2 H 3.362 0.030 2 48 11 11 CYS HB3 H 2.863 0.030 2 49 11 11 CYS C C 177.692 0.300 1 50 11 11 CYS CA C 59.898 0.300 1 51 11 11 CYS CB C 29.586 0.300 1 52 11 11 CYS N N 128.322 0.300 1 53 12 12 GLU H H 9.575 0.030 1 54 12 12 GLU HA H 4.169 0.030 1 55 12 12 GLU HB2 H 2.197 0.030 2 56 12 12 GLU HB3 H 2.067 0.030 2 57 12 12 GLU HG2 H 2.373 0.030 1 58 12 12 GLU HG3 H 2.373 0.030 1 59 12 12 GLU C C 176.233 0.300 1 60 12 12 GLU CA C 58.330 0.300 1 61 12 12 GLU CB C 29.801 0.300 1 62 12 12 GLU CG C 36.202 0.300 1 63 12 12 GLU N N 132.102 0.300 1 64 13 13 VAL H H 8.981 0.030 1 65 13 13 VAL HA H 3.766 0.030 1 66 13 13 VAL HB H 1.142 0.030 1 67 13 13 VAL HG1 H 0.734 0.030 1 68 13 13 VAL HG2 H 0.270 0.030 1 69 13 13 VAL C C 177.157 0.300 1 70 13 13 VAL CA C 65.073 0.300 1 71 13 13 VAL CB C 32.631 0.300 1 72 13 13 VAL CG1 C 21.401 0.300 2 73 13 13 VAL CG2 C 20.301 0.300 2 74 13 13 VAL N N 122.034 0.300 1 75 14 14 CYS H H 8.473 0.030 1 76 14 14 CYS HA H 5.156 0.030 1 77 14 14 CYS HB2 H 3.471 0.030 2 78 14 14 CYS HB3 H 2.799 0.030 2 79 14 14 CYS C C 176.682 0.300 1 80 14 14 CYS CA C 58.297 0.300 1 81 14 14 CYS CB C 32.765 0.300 1 82 14 14 CYS N N 116.858 0.300 1 83 15 15 GLY H H 8.027 0.030 1 84 15 15 GLY HA2 H 4.233 0.030 2 85 15 15 GLY HA3 H 3.744 0.030 2 86 15 15 GLY C C 173.410 0.300 1 87 15 15 GLY CA C 46.280 0.300 1 88 15 15 GLY N N 113.356 0.300 1 89 16 16 LYS H H 8.011 0.030 1 90 16 16 LYS HA H 3.994 0.030 1 91 16 16 LYS HB2 H 1.471 0.030 2 92 16 16 LYS HB3 H 1.234 0.030 2 93 16 16 LYS HD2 H 1.534 0.030 2 94 16 16 LYS HD3 H 1.446 0.030 2 95 16 16 LYS HE2 H 2.889 0.030 2 96 16 16 LYS HE3 H 2.962 0.030 2 97 16 16 LYS HG2 H 1.435 0.030 2 98 16 16 LYS HG3 H 1.056 0.030 2 99 16 16 LYS C C 174.763 0.300 1 100 16 16 LYS CA C 58.242 0.300 1 101 16 16 LYS CB C 33.739 0.300 1 102 16 16 LYS CD C 29.401 0.300 1 103 16 16 LYS CE C 42.133 0.300 1 104 16 16 LYS CG C 26.233 0.300 1 105 16 16 LYS N N 123.144 0.300 1 106 17 17 CYS H H 8.004 0.030 1 107 17 17 CYS HA H 5.147 0.030 1 108 17 17 CYS HB2 H 2.611 0.030 1 109 17 17 CYS HB3 H 2.611 0.030 1 110 17 17 CYS C C 173.743 0.300 1 111 17 17 CYS CA C 58.091 0.300 1 112 17 17 CYS CB C 30.465 0.300 1 113 17 17 CYS N N 118.944 0.300 1 114 18 18 PHE H H 8.747 0.030 1 115 18 18 PHE HA H 4.710 0.030 1 116 18 18 PHE HB2 H 3.275 0.030 2 117 18 18 PHE HB3 H 2.677 0.030 2 118 18 18 PHE HD1 H 7.223 0.030 1 119 18 18 PHE HD2 H 7.223 0.030 1 120 18 18 PHE HE1 H 6.794 0.030 1 121 18 18 PHE HE2 H 6.794 0.030 1 122 18 18 PHE HZ H 6.236 0.030 1 123 18 18 PHE C C 175.970 0.300 1 124 18 18 PHE CA C 57.197 0.300 1 125 18 18 PHE CB C 43.745 0.300 1 126 18 18 PHE CD1 C 132.335 0.300 1 127 18 18 PHE CD2 C 132.335 0.300 1 128 18 18 PHE CE1 C 130.685 0.300 1 129 18 18 PHE CE2 C 130.685 0.300 1 130 18 18 PHE CZ C 128.623 0.300 1 131 18 18 PHE N N 118.261 0.300 1 132 19 19 SER HA H 4.493 0.030 1 133 19 19 SER HB2 H 4.116 0.030 2 134 19 19 SER HB3 H 4.027 0.030 2 135 19 19 SER C C 174.555 0.300 1 136 19 19 SER CA C 60.055 0.300 1 137 19 19 SER CB C 63.817 0.300 1 138 20 20 ARG H H 7.345 0.030 1 139 20 20 ARG HA H 4.776 0.030 1 140 20 20 ARG HB2 H 2.232 0.030 2 141 20 20 ARG HB3 H 1.638 0.030 2 142 20 20 ARG HD2 H 3.351 0.030 2 143 20 20 ARG HD3 H 3.249 0.030 2 144 20 20 ARG HG2 H 1.750 0.030 1 145 20 20 ARG HG3 H 1.750 0.030 1 146 20 20 ARG C C 176.345 0.300 1 147 20 20 ARG CA C 54.446 0.300 1 148 20 20 ARG CB C 35.261 0.300 1 149 20 20 ARG CD C 43.665 0.300 1 150 20 20 ARG CG C 27.068 0.300 1 151 20 20 ARG N N 117.930 0.300 1 152 21 21 LYS HA H 3.268 0.030 1 153 21 21 LYS HB2 H 1.599 0.030 2 154 21 21 LYS HB3 H 1.393 0.030 2 155 21 21 LYS HD2 H 1.596 0.030 1 156 21 21 LYS HD3 H 1.596 0.030 1 157 21 21 LYS HE2 H 2.943 0.030 1 158 21 21 LYS HE3 H 2.943 0.030 1 159 21 21 LYS HG2 H 1.136 0.030 1 160 21 21 LYS HG3 H 1.136 0.030 1 161 21 21 LYS CA C 59.708 0.300 1 162 21 21 LYS CB C 32.247 0.300 1 163 21 21 LYS CD C 29.217 0.300 1 164 21 21 LYS CE C 42.038 0.300 1 165 21 21 LYS CG C 25.192 0.300 1 166 22 22 ASP HA H 4.198 0.030 1 167 22 22 ASP HB2 H 2.695 0.030 2 168 22 22 ASP HB3 H 2.624 0.030 2 169 22 22 ASP C C 178.390 0.300 1 170 22 22 ASP CA C 56.727 0.300 1 171 22 22 ASP CB C 39.002 0.300 1 172 23 23 LYS H H 7.043 0.030 1 173 23 23 LYS HA H 4.056 0.030 1 174 23 23 LYS HB2 H 2.003 0.030 2 175 23 23 LYS HB3 H 1.888 0.030 2 176 23 23 LYS HD2 H 1.827 0.030 2 177 23 23 LYS HD3 H 1.768 0.030 2 178 23 23 LYS HE2 H 3.057 0.030 2 179 23 23 LYS HE3 H 3.014 0.030 2 180 23 23 LYS HG2 H 1.639 0.030 2 181 23 23 LYS HG3 H 1.478 0.030 2 182 23 23 LYS C C 179.008 0.300 1 183 23 23 LYS CA C 57.773 0.300 1 184 23 23 LYS CB C 32.319 0.300 1 185 23 23 LYS CD C 28.795 0.300 1 186 23 23 LYS CE C 42.133 0.300 1 187 23 23 LYS CG C 25.326 0.300 1 188 23 23 LYS N N 120.115 0.300 1 189 24 24 LEU H H 6.968 0.030 1 190 24 24 LEU HA H 3.193 0.030 1 191 24 24 LEU HB2 H 1.966 0.030 2 192 24 24 LEU HB3 H 1.227 0.030 2 193 24 24 LEU HD1 H 1.018 0.030 1 194 24 24 LEU HD2 H 0.973 0.030 1 195 24 24 LEU HG H 1.540 0.030 1 196 24 24 LEU C C 177.345 0.300 1 197 24 24 LEU CA C 57.614 0.300 1 198 24 24 LEU CB C 40.337 0.300 1 199 24 24 LEU CD1 C 22.777 0.300 2 200 24 24 LEU CD2 C 26.655 0.300 2 201 24 24 LEU CG C 27.569 0.300 1 202 24 24 LEU N N 121.799 0.300 1 203 25 25 LYS H H 7.989 0.030 1 204 25 25 LYS HA H 3.879 0.030 1 205 25 25 LYS HB2 H 1.865 0.030 1 206 25 25 LYS HB3 H 1.865 0.030 1 207 25 25 LYS HD2 H 1.649 0.030 1 208 25 25 LYS HD3 H 1.649 0.030 1 209 25 25 LYS HE2 H 2.932 0.030 1 210 25 25 LYS HE3 H 2.932 0.030 1 211 25 25 LYS HG2 H 1.481 0.030 2 212 25 25 LYS HG3 H 1.335 0.030 2 213 25 25 LYS C C 179.808 0.300 1 214 25 25 LYS CA C 60.046 0.300 1 215 25 25 LYS CB C 31.725 0.300 1 216 25 25 LYS CD C 29.199 0.300 1 217 25 25 LYS CE C 42.051 0.300 1 218 25 25 LYS CG C 24.951 0.300 1 219 25 25 LYS N N 119.257 0.300 1 220 26 26 THR H H 7.863 0.030 1 221 26 26 THR HA H 3.823 0.030 1 222 26 26 THR HB H 4.043 0.030 1 223 26 26 THR HG2 H 1.212 0.030 1 224 26 26 THR C C 176.881 0.300 1 225 26 26 THR CA C 66.321 0.300 1 226 26 26 THR CB C 68.629 0.300 1 227 26 26 THR CG2 C 22.164 0.300 1 228 26 26 THR N N 115.147 0.300 1 229 27 27 HIS H H 7.660 0.030 1 230 27 27 HIS HA H 4.210 0.030 1 231 27 27 HIS HB2 H 3.225 0.030 2 232 27 27 HIS HB3 H 2.793 0.030 2 233 27 27 HIS HD2 H 7.107 0.030 1 234 27 27 HIS HE1 H 7.993 0.030 1 235 27 27 HIS C C 176.542 0.300 1 236 27 27 HIS CA C 59.289 0.300 1 237 27 27 HIS CB C 28.133 0.300 1 238 27 27 HIS CD2 C 127.859 0.300 1 239 27 27 HIS CE1 C 139.573 0.300 1 240 27 27 HIS N N 122.470 0.300 1 241 28 28 MET H H 8.141 0.030 1 242 28 28 MET HA H 4.085 0.030 1 243 28 28 MET HB2 H 2.248 0.030 1 244 28 28 MET HB3 H 2.248 0.030 1 245 28 28 MET HE H 2.263 0.030 1 246 28 28 MET HG2 H 3.043 0.030 2 247 28 28 MET HG3 H 2.949 0.030 2 248 28 28 MET C C 178.270 0.300 1 249 28 28 MET CA C 57.276 0.300 1 250 28 28 MET CB C 30.242 0.300 1 251 28 28 MET CE C 15.940 0.300 1 252 28 28 MET CG C 31.639 0.300 1 253 28 28 MET N N 115.774 0.300 1 254 29 29 ARG H H 7.240 0.030 1 255 29 29 ARG HA H 4.110 0.030 1 256 29 29 ARG HB2 H 1.914 0.030 2 257 29 29 ARG HB3 H 1.845 0.030 2 258 29 29 ARG HD2 H 3.230 0.030 1 259 29 29 ARG HD3 H 3.230 0.030 1 260 29 29 ARG HG2 H 1.832 0.030 2 261 29 29 ARG HG3 H 1.700 0.030 2 262 29 29 ARG C C 178.072 0.300 1 263 29 29 ARG CA C 58.504 0.300 1 264 29 29 ARG CB C 29.845 0.300 1 265 29 29 ARG CD C 43.534 0.300 1 266 29 29 ARG CG C 27.543 0.300 1 267 29 29 ARG N N 118.459 0.300 1 268 30 30 CYS H H 7.973 0.030 1 269 30 30 CYS HA H 4.351 0.030 1 270 30 30 CYS HB2 H 2.775 0.030 2 271 30 30 CYS HB3 H 2.545 0.030 2 272 30 30 CYS C C 175.165 0.300 1 273 30 30 CYS CA C 60.215 0.300 1 274 30 30 CYS CB C 26.613 0.300 1 275 30 30 CYS N N 115.355 0.300 1 276 31 31 HIS H H 7.486 0.030 1 277 31 31 HIS HA H 5.045 0.030 1 278 31 31 HIS HB2 H 3.335 0.030 2 279 31 31 HIS HB3 H 3.185 0.030 2 280 31 31 HIS HD2 H 6.868 0.030 1 281 31 31 HIS HE1 H 8.041 0.030 1 282 31 31 HIS C C 174.980 0.300 1 283 31 31 HIS CA C 54.255 0.300 1 284 31 31 HIS CB C 28.862 0.300 1 285 31 31 HIS CD2 C 127.721 0.300 1 286 31 31 HIS CE1 C 140.122 0.300 1 287 31 31 HIS N N 119.217 0.300 1 288 32 32 THR H H 7.754 0.030 1 289 32 32 THR HA H 4.332 0.030 1 290 32 32 THR HB H 4.269 0.030 1 291 32 32 THR HG2 H 1.226 0.030 1 292 32 32 THR CA C 62.460 0.300 1 293 32 32 THR CB C 69.814 0.300 1 294 32 32 THR CG2 C 21.444 0.300 1 295 32 32 THR N N 113.097 0.300 1 296 33 33 GLY HA2 H 3.963 0.030 1 297 33 33 GLY HA3 H 3.963 0.030 1 298 33 33 GLY C C 173.964 0.300 1 299 33 33 GLY CA C 45.321 0.300 1 300 34 34 VAL H H 7.877 0.030 1 301 34 34 VAL HA H 4.019 0.030 1 302 34 34 VAL HB H 2.030 0.030 1 303 34 34 VAL HG1 H 0.896 0.030 1 304 34 34 VAL HG2 H 0.873 0.030 1 305 34 34 VAL C C 176.004 0.300 1 306 34 34 VAL CA C 62.558 0.300 1 307 34 34 VAL CB C 32.425 0.300 1 308 34 34 VAL CG1 C 20.581 0.300 2 309 34 34 VAL CG2 C 21.182 0.300 2 310 34 34 VAL N N 118.977 0.300 1 311 35 35 LYS H H 8.367 0.030 1 312 35 35 LYS HA H 4.462 0.030 1 313 35 35 LYS HB2 H 1.542 0.030 2 314 35 35 LYS HB3 H 1.334 0.030 2 315 35 35 LYS HD2 H 1.520 0.030 2 316 35 35 LYS HD3 H 1.458 0.030 2 317 35 35 LYS HE2 H 2.895 0.030 1 318 35 35 LYS HE3 H 2.895 0.030 1 319 35 35 LYS HG2 H 1.323 0.030 2 320 35 35 LYS HG3 H 1.113 0.030 2 321 35 35 LYS C C 173.958 0.300 1 322 35 35 LYS CA C 53.726 0.300 1 323 35 35 LYS CB C 33.034 0.300 1 324 35 35 LYS CD C 29.437 0.300 1 325 35 35 LYS CE C 42.313 0.300 1 326 35 35 LYS CG C 24.979 0.300 1 327 35 35 LYS N N 125.030 0.300 1 328 36 36 PRO HA H 4.239 0.030 1 329 36 36 PRO HB2 H 1.989 0.030 2 330 36 36 PRO HB3 H 1.331 0.030 2 331 36 36 PRO HD2 H 3.679 0.030 2 332 36 36 PRO HD3 H 3.649 0.030 2 333 36 36 PRO HG2 H 1.826 0.030 2 334 36 36 PRO HG3 H 1.681 0.030 2 335 36 36 PRO CA C 63.516 0.300 1 336 36 36 PRO CB C 32.229 0.300 1 337 36 36 PRO CD C 50.349 0.300 1 338 36 36 PRO CG C 26.672 0.300 1 339 37 37 TYR H H 7.944 0.030 1 340 37 37 TYR HA H 4.439 0.030 1 341 37 37 TYR HB2 H 2.791 0.030 2 342 37 37 TYR HB3 H 2.729 0.030 2 343 37 37 TYR HD1 H 6.917 0.030 1 344 37 37 TYR HD2 H 6.917 0.030 1 345 37 37 TYR HE1 H 6.826 0.030 1 346 37 37 TYR HE2 H 6.826 0.030 1 347 37 37 TYR CA C 57.614 0.300 1 348 37 37 TYR CB C 37.388 0.300 1 349 37 37 TYR CD1 C 132.901 0.300 1 350 37 37 TYR CD2 C 132.901 0.300 1 351 37 37 TYR CE1 C 118.195 0.300 1 352 37 37 TYR CE2 C 118.195 0.300 1 353 37 37 TYR N N 118.932 0.300 1 354 38 38 LYS H H 8.044 0.030 1 355 38 38 LYS HA H 4.742 0.030 1 356 38 38 LYS HB2 H 1.874 0.030 2 357 38 38 LYS HB3 H 1.604 0.030 2 358 38 38 LYS HD2 H 1.648 0.030 2 359 38 38 LYS HD3 H 1.584 0.030 2 360 38 38 LYS HE2 H 2.925 0.030 1 361 38 38 LYS HE3 H 2.925 0.030 1 362 38 38 LYS HG2 H 1.342 0.030 1 363 38 38 LYS HG3 H 1.342 0.030 1 364 38 38 LYS CA C 55.233 0.300 1 365 38 38 LYS CB C 34.486 0.300 1 366 38 38 LYS CD C 28.913 0.300 1 367 38 38 LYS CE C 42.228 0.300 1 368 38 38 LYS CG C 24.715 0.300 1 369 38 38 LYS N N 123.358 0.300 1 370 39 39 CYS H H 8.786 0.030 1 371 39 39 CYS HA H 4.368 0.030 1 372 39 39 CYS HB2 H 3.447 0.030 2 373 39 39 CYS HB3 H 2.785 0.030 2 374 39 39 CYS C C 175.793 0.300 1 375 39 39 CYS CA C 60.322 0.300 1 376 39 39 CYS CB C 30.231 0.300 1 377 39 39 CYS N N 127.307 0.300 1 378 40 40 LYS H H 8.694 0.030 1 379 40 40 LYS HA H 4.387 0.030 1 380 40 40 LYS HB2 H 1.992 0.030 2 381 40 40 LYS HB3 H 1.902 0.030 2 382 40 40 LYS HD2 H 1.729 0.030 1 383 40 40 LYS HD3 H 1.729 0.030 1 384 40 40 LYS HE2 H 3.047 0.030 1 385 40 40 LYS HE3 H 3.047 0.030 1 386 40 40 LYS HG2 H 1.621 0.030 2 387 40 40 LYS HG3 H 1.538 0.030 2 388 40 40 LYS C C 177.282 0.300 1 389 40 40 LYS CA C 57.726 0.300 1 390 40 40 LYS CB C 32.541 0.300 1 391 40 40 LYS CD C 28.952 0.300 1 392 40 40 LYS CE C 42.216 0.300 1 393 40 40 LYS CG C 25.104 0.300 1 394 40 40 LYS N N 126.629 0.300 1 395 41 41 THR H H 9.428 0.030 1 396 41 41 THR HA H 4.129 0.030 1 397 41 41 THR HB H 3.163 0.030 1 398 41 41 THR HG2 H 0.692 0.030 1 399 41 41 THR C C 173.627 0.300 1 400 41 41 THR CA C 64.795 0.300 1 401 41 41 THR CB C 69.678 0.300 1 402 41 41 THR CG2 C 21.454 0.300 1 403 41 41 THR N N 120.339 0.300 1 404 42 42 CYS H H 8.388 0.030 1 405 42 42 CYS HA H 5.126 0.030 1 406 42 42 CYS HB2 H 3.429 0.030 2 407 42 42 CYS HB3 H 2.848 0.030 2 408 42 42 CYS C C 173.639 0.300 1 409 42 42 CYS CA C 57.974 0.300 1 410 42 42 CYS CB C 31.631 0.300 1 411 42 42 CYS N N 124.237 0.300 1 412 43 43 ASP H H 8.038 0.030 1 413 43 43 ASP HA H 4.600 0.030 1 414 43 43 ASP HB2 H 2.790 0.030 1 415 43 43 ASP HB3 H 2.790 0.030 1 416 43 43 ASP C C 175.590 0.300 1 417 43 43 ASP CA C 55.236 0.300 1 418 43 43 ASP CB C 40.460 0.300 1 419 43 43 ASP N N 116.711 0.300 1 420 44 44 TYR H H 8.688 0.030 1 421 44 44 TYR HA H 4.018 0.030 1 422 44 44 TYR HB2 H 2.807 0.030 2 423 44 44 TYR HB3 H 1.960 0.030 2 424 44 44 TYR HD1 H 6.490 0.030 1 425 44 44 TYR HD2 H 6.490 0.030 1 426 44 44 TYR HE1 H 6.478 0.030 1 427 44 44 TYR HE2 H 6.478 0.030 1 428 44 44 TYR C C 173.143 0.300 1 429 44 44 TYR CA C 60.491 0.300 1 430 44 44 TYR CB C 40.231 0.300 1 431 44 44 TYR CD1 C 132.407 0.300 1 432 44 44 TYR CD2 C 132.407 0.300 1 433 44 44 TYR CE1 C 117.609 0.300 1 434 44 44 TYR CE2 C 117.609 0.300 1 435 44 44 TYR N N 125.097 0.300 1 436 45 45 ALA H H 7.098 0.030 1 437 45 45 ALA HA H 4.713 0.030 1 438 45 45 ALA HB H 1.137 0.030 1 439 45 45 ALA C C 174.323 0.300 1 440 45 45 ALA CA C 50.409 0.300 1 441 45 45 ALA CB C 21.865 0.300 1 442 45 45 ALA N N 129.258 0.300 1 443 46 46 ALA H H 8.676 0.030 1 444 46 46 ALA HA H 4.512 0.030 1 445 46 46 ALA HB H 1.606 0.030 1 446 46 46 ALA C C 176.436 0.300 1 447 46 46 ALA CA C 49.862 0.300 1 448 46 46 ALA CB C 23.808 0.300 1 449 46 46 ALA N N 122.380 0.300 1 450 47 47 ALA H H 8.806 0.030 1 451 47 47 ALA HA H 4.456 0.030 1 452 47 47 ALA HB H 1.509 0.030 1 453 47 47 ALA C C 176.438 0.300 1 454 47 47 ALA CA C 53.233 0.300 1 455 47 47 ALA CB C 19.822 0.300 1 456 47 47 ALA N N 120.108 0.300 1 457 48 48 ASP H H 7.383 0.030 1 458 48 48 ASP HA H 4.412 0.030 1 459 48 48 ASP HB2 H 2.806 0.030 2 460 48 48 ASP HB3 H 2.690 0.030 2 461 48 48 ASP C C 174.451 0.300 1 462 48 48 ASP CA C 52.149 0.300 1 463 48 48 ASP CB C 43.180 0.300 1 464 48 48 ASP N N 112.026 0.300 1 465 49 49 SER H H 8.238 0.030 1 466 49 49 SER HA H 3.413 0.030 1 467 49 49 SER HB2 H 3.506 0.030 2 468 49 49 SER HB3 H 3.685 0.030 2 469 49 49 SER C C 176.930 0.300 1 470 49 49 SER CA C 60.819 0.300 1 471 49 49 SER CB C 62.578 0.300 1 472 49 49 SER N N 115.192 0.300 1 473 50 50 SER HA H 3.882 0.030 1 474 50 50 SER HB2 H 4.225 0.030 1 475 50 50 SER HB3 H 4.225 0.030 1 476 50 50 SER C C 177.870 0.300 1 477 50 50 SER CA C 62.216 0.300 1 478 50 50 SER CB C 61.773 0.300 1 479 51 51 SER H H 8.598 0.030 1 480 51 51 SER HA H 4.236 0.030 1 481 51 51 SER HB2 H 3.950 0.030 2 482 51 51 SER HB3 H 4.022 0.030 2 483 51 51 SER C C 177.590 0.300 1 484 51 51 SER CA C 62.312 0.300 1 485 51 51 SER CB C 62.219 0.300 1 486 51 51 SER N N 118.822 0.300 1 487 52 52 LEU H H 7.465 0.030 1 488 52 52 LEU HA H 4.303 0.030 1 489 52 52 LEU HB2 H 2.089 0.030 2 490 52 52 LEU HB3 H 1.476 0.030 2 491 52 52 LEU HD1 H 1.037 0.030 1 492 52 52 LEU HD2 H 1.061 0.030 1 493 52 52 LEU HG H 1.743 0.030 1 494 52 52 LEU C C 177.392 0.300 1 495 52 52 LEU CA C 58.359 0.300 1 496 52 52 LEU CB C 40.502 0.300 1 497 52 52 LEU CD1 C 22.179 0.300 2 498 52 52 LEU CD2 C 25.875 0.300 2 499 52 52 LEU CG C 27.252 0.300 1 500 52 52 LEU N N 123.538 0.300 1 501 53 53 ASN H H 8.453 0.030 1 502 53 53 ASN HA H 4.418 0.030 1 503 53 53 ASN HB2 H 2.919 0.030 2 504 53 53 ASN HB3 H 2.797 0.030 2 505 53 53 ASN HD21 H 7.529 0.030 2 506 53 53 ASN HD22 H 6.885 0.030 2 507 53 53 ASN C C 178.137 0.300 1 508 53 53 ASN CA C 56.752 0.300 1 509 53 53 ASN CB C 37.877 0.300 1 510 53 53 ASN N N 118.010 0.300 1 511 53 53 ASN ND2 N 112.073 0.300 1 512 54 54 LYS H H 7.813 0.030 1 513 54 54 LYS HA H 3.992 0.030 1 514 54 54 LYS HB2 H 1.892 0.030 1 515 54 54 LYS HB3 H 1.892 0.030 1 516 54 54 LYS HD2 H 1.669 0.030 1 517 54 54 LYS HD3 H 1.669 0.030 1 518 54 54 LYS HE2 H 2.942 0.030 1 519 54 54 LYS HE3 H 2.942 0.030 1 520 54 54 LYS HG2 H 1.580 0.030 2 521 54 54 LYS HG3 H 1.402 0.030 2 522 54 54 LYS C C 178.984 0.300 1 523 54 54 LYS CA C 59.590 0.300 1 524 54 54 LYS CB C 32.578 0.300 1 525 54 54 LYS CD C 29.363 0.300 1 526 54 54 LYS CE C 42.216 0.300 1 527 54 54 LYS CG C 25.409 0.300 1 528 54 54 LYS N N 118.869 0.300 1 529 55 55 HIS H H 7.777 0.030 1 530 55 55 HIS HA H 3.952 0.030 1 531 55 55 HIS HB2 H 3.454 0.030 2 532 55 55 HIS HB3 H 2.638 0.030 2 533 55 55 HIS HD2 H 6.769 0.030 1 534 55 55 HIS HE1 H 7.502 0.030 1 535 55 55 HIS C C 175.980 0.300 1 536 55 55 HIS CA C 59.578 0.300 1 537 55 55 HIS CB C 27.897 0.300 1 538 55 55 HIS CD2 C 126.094 0.300 1 539 55 55 HIS CE1 C 139.048 0.300 1 540 55 55 HIS N N 120.138 0.300 1 541 56 56 LEU H H 8.345 0.030 1 542 56 56 LEU HA H 3.763 0.030 1 543 56 56 LEU HB2 H 1.949 0.030 2 544 56 56 LEU HB3 H 1.586 0.030 2 545 56 56 LEU HD1 H 1.055 0.030 1 546 56 56 LEU HD2 H 1.296 0.030 1 547 56 56 LEU HG H 2.183 0.030 1 548 56 56 LEU C C 179.093 0.300 1 549 56 56 LEU CA C 57.959 0.300 1 550 56 56 LEU CB C 41.722 0.300 1 551 56 56 LEU CD1 C 25.690 0.300 2 552 56 56 LEU CD2 C 24.693 0.300 2 553 56 56 LEU CG C 26.666 0.300 1 554 56 56 LEU N N 115.446 0.300 1 555 57 57 ARG H H 7.074 0.030 1 556 57 57 ARG HA H 4.034 0.030 1 557 57 57 ARG HB2 H 1.886 0.030 2 558 57 57 ARG HB3 H 1.781 0.030 2 559 57 57 ARG HD2 H 3.202 0.030 1 560 57 57 ARG HD3 H 3.202 0.030 1 561 57 57 ARG HG2 H 1.812 0.030 2 562 57 57 ARG HG3 H 1.690 0.030 2 563 57 57 ARG C C 178.577 0.300 1 564 57 57 ARG CA C 58.312 0.300 1 565 57 57 ARG CB C 29.950 0.300 1 566 57 57 ARG CD C 43.287 0.300 1 567 57 57 ARG CG C 27.112 0.300 1 568 57 57 ARG N N 117.186 0.300 1 569 58 58 ILE H H 7.801 0.030 1 570 58 58 ILE HA H 3.905 0.030 1 571 58 58 ILE HB H 1.567 0.030 1 572 58 58 ILE HD1 H 0.547 0.030 1 573 58 58 ILE HG12 H 0.766 0.030 2 574 58 58 ILE HG13 H 0.529 0.030 2 575 58 58 ILE HG2 H 0.478 0.030 1 576 58 58 ILE C C 177.337 0.300 1 577 58 58 ILE CA C 63.201 0.300 1 578 58 58 ILE CB C 37.480 0.300 1 579 58 58 ILE CD1 C 14.451 0.300 1 580 58 58 ILE CG1 C 26.245 0.300 1 581 58 58 ILE CG2 C 16.264 0.300 1 582 58 58 ILE N N 116.007 0.300 1 583 59 59 HIS H H 7.047 0.030 1 584 59 59 HIS HA H 4.861 0.030 1 585 59 59 HIS HB2 H 3.354 0.030 2 586 59 59 HIS HB3 H 3.119 0.030 2 587 59 59 HIS HD2 H 6.694 0.030 1 588 59 59 HIS HE1 H 7.994 0.030 1 589 59 59 HIS C C 175.388 0.300 1 590 59 59 HIS CA C 54.729 0.300 1 591 59 59 HIS CB C 28.495 0.300 1 592 59 59 HIS CD2 C 127.365 0.300 1 593 59 59 HIS CE1 C 140.122 0.300 1 594 59 59 HIS N N 116.903 0.300 1 595 60 60 SER H H 7.658 0.030 1 596 60 60 SER HA H 4.372 0.030 1 597 60 60 SER HB2 H 3.896 0.030 2 598 60 60 SER HB3 H 3.854 0.030 2 599 60 60 SER C C 174.257 0.300 1 600 60 60 SER CA C 59.169 0.300 1 601 60 60 SER CB C 63.784 0.300 1 602 60 60 SER N N 115.096 0.300 1 603 61 61 ASP H H 8.248 0.030 1 604 61 61 ASP HA H 4.591 0.030 1 605 61 61 ASP HB2 H 2.658 0.030 2 606 61 61 ASP HB3 H 2.553 0.030 2 607 61 61 ASP C C 176.117 0.300 1 608 61 61 ASP CA C 54.165 0.300 1 609 61 61 ASP CB C 41.053 0.300 1 610 61 61 ASP N N 122.397 0.300 1 611 62 62 GLU H H 8.145 0.030 1 612 62 62 GLU HA H 4.136 0.030 1 613 62 62 GLU HB2 H 2.015 0.030 2 614 62 62 GLU HB3 H 1.965 0.030 2 615 62 62 GLU HG2 H 2.291 0.030 2 616 62 62 GLU HG3 H 2.211 0.030 2 617 62 62 GLU C C 176.343 0.300 1 618 62 62 GLU CA C 57.139 0.300 1 619 62 62 GLU CB C 30.253 0.300 1 620 62 62 GLU CG C 36.410 0.300 1 621 62 62 GLU N N 121.543 0.300 1 622 63 63 ARG H H 8.201 0.030 1 623 63 63 ARG HA H 4.457 0.030 1 624 63 63 ARG HB2 H 1.563 0.030 2 625 63 63 ARG HB3 H 1.210 0.030 2 626 63 63 ARG HD2 H 3.061 0.030 2 627 63 63 ARG HD3 H 2.915 0.030 2 628 63 63 ARG HG2 H 1.475 0.030 2 629 63 63 ARG HG3 H 1.298 0.030 2 630 63 63 ARG C C 173.444 0.300 1 631 63 63 ARG CA C 53.453 0.300 1 632 63 63 ARG CB C 30.726 0.300 1 633 63 63 ARG CD C 43.518 0.300 1 634 63 63 ARG CG C 27.020 0.300 1 635 63 63 ARG N N 120.117 0.300 1 636 64 64 PRO HA H 4.168 0.030 1 637 64 64 PRO HB2 H 1.991 0.030 2 638 64 64 PRO HB3 H 1.263 0.030 2 639 64 64 PRO HD2 H 3.654 0.030 2 640 64 64 PRO HD3 H 3.571 0.030 2 641 64 64 PRO HG2 H 1.818 0.030 2 642 64 64 PRO HG3 H 1.605 0.030 2 643 64 64 PRO C C 176.412 0.300 1 644 64 64 PRO CA C 63.810 0.300 1 645 64 64 PRO CB C 32.256 0.300 1 646 64 64 PRO CD C 50.288 0.300 1 647 64 64 PRO CG C 26.666 0.300 1 648 65 65 PHE H H 7.738 0.030 1 649 65 65 PHE HA H 4.516 0.030 1 650 65 65 PHE HB2 H 2.978 0.030 2 651 65 65 PHE HB3 H 2.888 0.030 2 652 65 65 PHE HD1 H 7.087 0.030 1 653 65 65 PHE HD2 H 7.087 0.030 1 654 65 65 PHE HE1 H 7.402 0.030 1 655 65 65 PHE HE2 H 7.402 0.030 1 656 65 65 PHE HZ H 7.366 0.030 1 657 65 65 PHE C C 173.941 0.300 1 658 65 65 PHE CA C 58.006 0.300 1 659 65 65 PHE CB C 37.907 0.300 1 660 65 65 PHE CD1 C 131.718 0.300 1 661 65 65 PHE CD2 C 131.718 0.300 1 662 65 65 PHE CE1 C 131.636 0.300 1 663 65 65 PHE CE2 C 131.636 0.300 1 664 65 65 PHE CZ C 129.994 0.300 1 665 65 65 PHE N N 119.138 0.300 1 666 66 66 LYS H H 8.204 0.030 1 667 66 66 LYS HA H 4.664 0.030 1 668 66 66 LYS HB2 H 1.996 0.030 2 669 66 66 LYS HB3 H 1.626 0.030 2 670 66 66 LYS HD2 H 1.614 0.030 1 671 66 66 LYS HD3 H 1.614 0.030 1 672 66 66 LYS HE2 H 2.913 0.030 1 673 66 66 LYS HE3 H 2.913 0.030 1 674 66 66 LYS HG2 H 1.356 0.030 1 675 66 66 LYS HG3 H 1.356 0.030 1 676 66 66 LYS C C 175.736 0.300 1 677 66 66 LYS CA C 55.199 0.300 1 678 66 66 LYS CB C 34.271 0.300 1 679 66 66 LYS CD C 28.952 0.300 1 680 66 66 LYS CE C 42.463 0.300 1 681 66 66 LYS CG C 24.727 0.300 1 682 66 66 LYS N N 123.520 0.300 1 683 67 67 CYS H H 8.763 0.030 1 684 67 67 CYS HA H 4.325 0.030 1 685 67 67 CYS HB2 H 3.783 0.030 2 686 67 67 CYS HB3 H 2.769 0.030 2 687 67 67 CYS C C 175.532 0.300 1 688 67 67 CYS CA C 60.812 0.300 1 689 67 67 CYS CB C 29.956 0.300 1 690 67 67 CYS N N 127.264 0.300 1 691 68 68 GLN H H 8.903 0.030 1 692 68 68 GLN HA H 4.445 0.030 1 693 68 68 GLN HB2 H 2.300 0.030 2 694 68 68 GLN HB3 H 2.048 0.030 2 695 68 68 GLN HG2 H 2.537 0.030 2 696 68 68 GLN HG3 H 2.471 0.030 2 697 68 68 GLN C C 176.273 0.300 1 698 68 68 GLN CA C 56.834 0.300 1 699 68 68 GLN CB C 29.226 0.300 1 700 68 68 GLN CG C 34.307 0.300 1 701 68 68 GLN N N 124.591 0.300 1 702 69 69 ILE H H 9.581 0.030 1 703 69 69 ILE HA H 3.997 0.030 1 704 69 69 ILE HB H 1.141 0.030 1 705 69 69 ILE HD1 H 0.562 0.030 1 706 69 69 ILE HG12 H 1.175 0.030 2 707 69 69 ILE HG13 H 0.916 0.030 2 708 69 69 ILE HG2 H 0.429 0.030 1 709 69 69 ILE C C 174.554 0.300 1 710 69 69 ILE CA C 62.159 0.300 1 711 69 69 ILE CB C 39.835 0.300 1 712 69 69 ILE CD1 C 12.720 0.300 1 713 69 69 ILE CG1 C 28.151 0.300 1 714 69 69 ILE CG2 C 17.095 0.300 1 715 69 69 ILE N N 123.743 0.300 1 716 70 70 CYS H H 8.651 0.030 1 717 70 70 CYS HA H 5.219 0.030 1 718 70 70 CYS HB2 H 3.535 0.030 2 719 70 70 CYS HB3 H 2.783 0.030 2 720 70 70 CYS C C 172.581 0.300 1 721 70 70 CYS CA C 57.516 0.300 1 722 70 70 CYS CB C 31.514 0.300 1 723 70 70 CYS N N 127.060 0.300 1 724 71 71 PRO HA H 4.623 0.030 1 725 71 71 PRO HB2 H 2.334 0.030 2 726 71 71 PRO HB3 H 1.969 0.030 2 727 71 71 PRO HD2 H 3.831 0.030 2 728 71 71 PRO HD3 H 3.567 0.030 2 729 71 71 PRO HG2 H 2.014 0.030 2 730 71 71 PRO HG3 H 1.920 0.030 2 731 71 71 PRO C C 176.223 0.300 1 732 71 71 PRO CA C 64.143 0.300 1 733 71 71 PRO CB C 31.648 0.300 1 734 71 71 PRO CD C 50.867 0.300 1 735 71 71 PRO CG C 27.555 0.300 1 736 72 72 TYR H H 8.566 0.030 1 737 72 72 TYR HA H 3.917 0.030 1 738 72 72 TYR HB2 H 2.597 0.030 2 739 72 72 TYR HB3 H 2.028 0.030 2 740 72 72 TYR HD1 H 6.500 0.030 1 741 72 72 TYR HD2 H 6.500 0.030 1 742 72 72 TYR HE1 H 6.457 0.030 1 743 72 72 TYR HE2 H 6.457 0.030 1 744 72 72 TYR C C 173.256 0.300 1 745 72 72 TYR CA C 60.734 0.300 1 746 72 72 TYR CB C 40.157 0.300 1 747 72 72 TYR CD1 C 132.650 0.300 1 748 72 72 TYR CD2 C 132.650 0.300 1 749 72 72 TYR CE1 C 117.305 0.300 1 750 72 72 TYR CE2 C 117.305 0.300 1 751 72 72 TYR N N 124.773 0.300 1 752 73 73 ALA H H 6.921 0.030 1 753 73 73 ALA HA H 4.923 0.030 1 754 73 73 ALA HB H 1.189 0.030 1 755 73 73 ALA C C 175.057 0.300 1 756 73 73 ALA CA C 50.676 0.300 1 757 73 73 ALA CB C 22.851 0.300 1 758 73 73 ALA N N 128.476 0.300 1 759 74 74 SER H H 9.033 0.030 1 760 74 74 SER HA H 4.653 0.030 1 761 74 74 SER HB2 H 4.165 0.030 2 762 74 74 SER HB3 H 3.686 0.030 2 763 74 74 SER C C 174.165 0.300 1 764 74 74 SER CA C 56.312 0.300 1 765 74 74 SER CB C 66.052 0.300 1 766 74 74 SER N N 113.538 0.300 1 767 75 75 ARG H H 8.661 0.030 1 768 75 75 ARG HA H 4.566 0.030 1 769 75 75 ARG HB2 H 2.042 0.030 2 770 75 75 ARG HB3 H 1.908 0.030 2 771 75 75 ARG HD2 H 3.277 0.030 1 772 75 75 ARG HD3 H 3.277 0.030 1 773 75 75 ARG HG2 H 1.808 0.030 2 774 75 75 ARG HG3 H 1.765 0.030 2 775 75 75 ARG C C 175.684 0.300 1 776 75 75 ARG CA C 57.824 0.300 1 777 75 75 ARG CB C 31.115 0.300 1 778 75 75 ARG CD C 43.534 0.300 1 779 75 75 ARG CG C 28.045 0.300 1 780 75 75 ARG N N 121.150 0.300 1 781 76 76 ASN H H 8.248 0.030 1 782 76 76 ASN HA H 4.911 0.030 1 783 76 76 ASN HB2 H 2.801 0.030 2 784 76 76 ASN HB3 H 2.764 0.030 2 785 76 76 ASN HD21 H 7.556 0.030 2 786 76 76 ASN HD22 H 6.979 0.030 2 787 76 76 ASN C C 175.132 0.300 1 788 76 76 ASN CA C 51.863 0.300 1 789 76 76 ASN CB C 41.348 0.300 1 790 76 76 ASN N N 114.443 0.300 1 791 76 76 ASN ND2 N 113.774 0.300 1 792 77 77 SER HA H 3.200 0.030 1 793 77 77 SER HB2 H 3.423 0.030 2 794 77 77 SER HB3 H 3.138 0.030 2 795 77 77 SER CA C 60.883 0.300 1 796 77 77 SER CB C 62.238 0.300 1 797 78 78 SER HA H 3.897 0.030 1 798 78 78 SER HB2 H 4.172 0.030 1 799 78 78 SER HB3 H 4.172 0.030 1 800 78 78 SER C C 177.074 0.300 1 801 78 78 SER CA C 62.027 0.300 1 802 78 78 SER CB C 61.826 0.300 1 803 79 79 GLN H H 7.785 0.030 1 804 79 79 GLN HA H 4.102 0.030 1 805 79 79 GLN HB2 H 2.355 0.030 2 806 79 79 GLN HB3 H 2.307 0.030 2 807 79 79 GLN HG2 H 2.569 0.030 2 808 79 79 GLN HG3 H 2.495 0.030 2 809 79 79 GLN C C 179.249 0.300 1 810 79 79 GLN CA C 58.473 0.300 1 811 79 79 GLN CB C 28.371 0.300 1 812 79 79 GLN CG C 34.800 0.300 1 813 79 79 GLN N N 120.246 0.300 1 814 80 80 LEU H H 7.248 0.030 1 815 80 80 LEU HA H 4.384 0.030 1 816 80 80 LEU HB2 H 2.175 0.030 2 817 80 80 LEU HB3 H 1.648 0.030 2 818 80 80 LEU HD1 H 1.063 0.030 1 819 80 80 LEU HD2 H 1.069 0.030 1 820 80 80 LEU HG H 1.758 0.030 1 821 80 80 LEU C C 177.759 0.300 1 822 80 80 LEU CA C 58.299 0.300 1 823 80 80 LEU CB C 40.239 0.300 1 824 80 80 LEU CD1 C 22.808 0.300 2 825 80 80 LEU CD2 C 25.875 0.300 2 826 80 80 LEU CG C 27.303 0.300 1 827 80 80 LEU N N 121.556 0.300 1 828 81 81 THR H H 8.215 0.030 1 829 81 81 THR HA H 3.799 0.030 1 830 81 81 THR HB H 4.311 0.030 1 831 81 81 THR HG2 H 1.216 0.030 1 832 81 81 THR C C 176.671 0.300 1 833 81 81 THR CA C 67.555 0.300 1 834 81 81 THR CB C 68.584 0.300 1 835 81 81 THR CG2 C 21.984 0.300 1 836 81 81 THR N N 116.563 0.300 1 837 82 82 VAL H H 7.466 0.030 1 838 82 82 VAL HA H 3.513 0.030 1 839 82 82 VAL HB H 2.080 0.030 1 840 82 82 VAL HG1 H 0.913 0.030 1 841 82 82 VAL HG2 H 1.044 0.030 1 842 82 82 VAL C C 178.933 0.300 1 843 82 82 VAL CA C 66.771 0.300 1 844 82 82 VAL CB C 31.938 0.300 1 845 82 82 VAL CG1 C 21.125 0.300 2 846 82 82 VAL CG2 C 22.545 0.300 2 847 82 82 VAL N N 120.407 0.300 1 848 83 83 HIS H H 8.111 0.030 1 849 83 83 HIS HA H 3.918 0.030 1 850 83 83 HIS HB2 H 3.286 0.030 2 851 83 83 HIS HB3 H 2.531 0.030 2 852 83 83 HIS HD2 H 6.692 0.030 1 853 83 83 HIS HE1 H 7.447 0.030 1 854 83 83 HIS C C 178.097 0.300 1 855 83 83 HIS CA C 59.883 0.300 1 856 83 83 HIS CB C 27.789 0.300 1 857 83 83 HIS CD2 C 126.094 0.300 1 858 83 83 HIS CE1 C 138.791 0.300 1 859 83 83 HIS N N 121.175 0.300 1 860 84 84 LEU H H 8.797 0.030 1 861 84 84 LEU HA H 3.822 0.030 1 862 84 84 LEU HB2 H 1.977 0.030 2 863 84 84 LEU HB3 H 1.618 0.030 2 864 84 84 LEU HD1 H 1.055 0.030 1 865 84 84 LEU HD2 H 1.274 0.030 1 866 84 84 LEU HG H 2.061 0.030 1 867 84 84 LEU C C 179.320 0.300 1 868 84 84 LEU CA C 58.370 0.300 1 869 84 84 LEU CB C 41.697 0.300 1 870 84 84 LEU CD1 C 25.584 0.300 2 871 84 84 LEU CD2 C 24.654 0.300 2 872 84 84 LEU CG C 27.099 0.300 1 873 84 84 LEU N N 120.339 0.300 1 874 85 85 ARG H H 7.325 0.030 1 875 85 85 ARG HA H 4.136 0.030 1 876 85 85 ARG HB2 H 1.928 0.030 2 877 85 85 ARG HB3 H 1.850 0.030 2 878 85 85 ARG HD2 H 3.189 0.030 1 879 85 85 ARG HD3 H 3.189 0.030 1 880 85 85 ARG HG2 H 1.882 0.030 2 881 85 85 ARG HG3 H 1.672 0.030 2 882 85 85 ARG C C 178.169 0.300 1 883 85 85 ARG CA C 58.478 0.300 1 884 85 85 ARG CB C 29.759 0.300 1 885 85 85 ARG CD C 43.781 0.300 1 886 85 85 ARG CG C 27.798 0.300 1 887 85 85 ARG N N 117.572 0.300 1 888 86 86 SER H H 7.871 0.030 1 889 86 86 SER HA H 4.158 0.030 1 890 86 86 SER HB2 H 3.677 0.030 2 891 86 86 SER HB3 H 3.605 0.030 2 892 86 86 SER C C 174.849 0.300 1 893 86 86 SER CA C 60.465 0.300 1 894 86 86 SER CB C 63.031 0.300 1 895 86 86 SER N N 114.279 0.300 1 896 87 87 HIS H H 7.242 0.030 1 897 87 87 HIS HA H 4.898 0.030 1 898 87 87 HIS HB2 H 3.297 0.030 2 899 87 87 HIS HB3 H 3.121 0.030 2 900 87 87 HIS HD2 H 6.567 0.030 1 901 87 87 HIS HE1 H 7.937 0.030 1 902 87 87 HIS C C 175.376 0.300 1 903 87 87 HIS CA C 55.472 0.300 1 904 87 87 HIS CB C 29.005 0.300 1 905 87 87 HIS CD2 C 127.106 0.300 1 906 87 87 HIS CE1 C 139.805 0.300 1 907 87 87 HIS N N 119.103 0.300 1 908 88 88 THR H H 7.781 0.030 1 909 88 88 THR HA H 4.356 0.030 1 910 88 88 THR HB H 4.298 0.030 1 911 88 88 THR HG2 H 1.227 0.030 1 912 88 88 THR C C 175.270 0.300 1 913 88 88 THR CA C 62.376 0.300 1 914 88 88 THR CB C 69.875 0.300 1 915 88 88 THR CG2 C 21.528 0.300 1 916 88 88 THR N N 112.521 0.300 1 917 89 89 GLY H H 8.351 0.030 1 918 89 89 GLY HA2 H 3.987 0.030 1 919 89 89 GLY HA3 H 3.987 0.030 1 920 89 89 GLY C C 174.043 0.300 1 921 89 89 GLY CA C 45.447 0.300 1 922 89 89 GLY N N 110.896 0.300 1 923 90 90 ASP H H 8.207 0.030 1 924 90 90 ASP HA H 4.652 0.030 1 925 90 90 ASP HB2 H 2.701 0.030 2 926 90 90 ASP HB3 H 2.622 0.030 2 927 90 90 ASP C C 176.362 0.300 1 928 90 90 ASP CA C 54.421 0.300 1 929 90 90 ASP CB C 41.398 0.300 1 930 90 90 ASP N N 120.727 0.300 1 931 91 91 SER H H 8.333 0.030 1 932 91 91 SER C C 174.710 0.300 1 933 91 91 SER CA C 58.414 0.300 1 934 91 91 SER CB C 63.938 0.300 1 935 91 91 SER N N 116.183 0.300 1 936 92 92 GLY HA2 H 4.102 0.030 1 937 92 92 GLY HA3 H 4.102 0.030 1 938 92 92 GLY CA C 44.661 0.300 1 939 93 93 PRO HA H 4.472 0.030 1 940 93 93 PRO HB2 H 2.283 0.030 2 941 93 93 PRO HB3 H 1.973 0.030 2 942 93 93 PRO HD2 H 3.618 0.030 1 943 93 93 PRO HD3 H 3.618 0.030 1 944 93 93 PRO HG2 H 2.007 0.030 1 945 93 93 PRO HG3 H 2.007 0.030 1 946 93 93 PRO CA C 63.211 0.300 1 947 93 93 PRO CB C 32.174 0.300 1 948 93 93 PRO CD C 49.805 0.300 1 949 93 93 PRO CG C 27.228 0.300 1 stop_ save_