data_7034 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N chemical shift assignments for the zinc-finger region of human ZHX1 ; _BMRB_accession_number 7034 _BMRB_flat_file_name bmr7034.str _Entry_type original _Submission_date 2006-03-27 _Accession_date 2006-03-27 _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 Wienk Hans . . 2 Lammers Ivonne . . 3 Wu Jin . . 4 Hotze Anna . . 5 Wechselberger Rainer . . 6 Kaptein Rob . . 7 Folkers Gert . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 468 "13C chemical shifts" 309 "15N chemical shifts" 86 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-10-16 update BMRB 'complete entry citation' 2006-04-05 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The tandem zinc-finger region of human ZHX adopts a novel C2H2 zinc finger structure with a C-terminal extension.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19348505 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wienk Hans . . 2 Lammers Ivonne . . 3 Hotze Anna . . 4 Wu Jin . . 5 Wechselberger Rainer W. . 6 Owens Ray . . 7 Stammers David K. . 8 Stuart David . . 9 Kaptein Robert . . 10 Folkers Gert E. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 48 _Journal_issue 21 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4431 _Page_last 4439 _Year 2009 _Details . loop_ _Keyword NMR 'Nuclear Factor-Ya' 'transcription repressor' ZHX1 zinc-finger stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name hZHX1-ZNF _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label polypeptide $polypeptide_of_hZHX1-ZNF zinc1 $ZN zinc2 $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all other bound' _Database_query_date . _Details 'C2H2 zinc-finger region of human ZHX1' save_ ######################## # Monomeric polymers # ######################## save_polypeptide_of_hZHX1-ZNF _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hZHX1-ZNF _Molecular_mass 12110 _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 102 _Mol_residue_sequence ; MAHHHHHHNQQNKKVEGGYE CKYCTFQTPDLNMFTFHVDS EHPNVVLNSSYVCVECNFLT KRYDALSEHNLKYHPGEENF KLTMVKRNNQTIFEQTINDL TF ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 ASN 10 GLN 11 GLN 12 ASN 13 LYS 14 LYS 15 VAL 16 GLU 17 GLY 18 GLY 19 TYR 20 GLU 21 CYS 22 LYS 23 TYR 24 CYS 25 THR 26 PHE 27 GLN 28 THR 29 PRO 30 ASP 31 LEU 32 ASN 33 MET 34 PHE 35 THR 36 PHE 37 HIS 38 VAL 39 ASP 40 SER 41 GLU 42 HIS 43 PRO 44 ASN 45 VAL 46 VAL 47 LEU 48 ASN 49 SER 50 SER 51 TYR 52 VAL 53 CYS 54 VAL 55 GLU 56 CYS 57 ASN 58 PHE 59 LEU 60 THR 61 LYS 62 ARG 63 TYR 64 ASP 65 ALA 66 LEU 67 SER 68 GLU 69 HIS 70 ASN 71 LEU 72 LYS 73 TYR 74 HIS 75 PRO 76 GLY 77 GLU 78 GLU 79 ASN 80 PHE 81 LYS 82 LEU 83 THR 84 MET 85 VAL 86 LYS 87 ARG 88 ASN 89 ASN 90 GLN 91 THR 92 ILE 93 PHE 94 GLU 95 GLN 96 THR 97 ILE 98 ASN 99 ASP 100 LEU 101 THR 102 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 Wed Aug 31 14:58:40 2011 ; 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 $polypeptide_of_hZHX1-ZNF 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 $polypeptide_of_hZHX1-ZNF 'recombinant technology' 'E. coli' Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $polypeptide_of_hZHX1-ZNF 0.3 mM '[U-98% 13C; U-99% 15N]' NaPO4 30 mM . NaCl 100 mM . ZnCl2 50 microM . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name SPARKY _Version 3 loop_ _Vendor _Address _Electronic_address 'T. D. Goddard and D. G. Kneller' 'University of California, San Francisco' . stop_ loop_ _Task assignment stop_ _Details . save_ save_software_2 _Saveframe_category software _Name XWIN-NMR _Version 3.5 loop_ _Vendor _Address _Electronic_address BRUKER . www.bruker-biospin.de/NMR/ stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_700MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700.13 _Details . save_ save_900MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900.21 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $sample_1 save_ save_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HN(CA)HA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)HA _Sample_label $sample_1 save_ save_CC(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CC(CO)NH _Sample_label $sample_1 save_ save_H(C)CH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name H(C)CH-TOCSY _Sample_label $sample_1 save_ save_(H)CCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CCH-COSY _Sample_label $sample_1 save_ save_HNH-NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNH-NOESY _Sample_label $sample_1 save_ save_HH-NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HH-NOESY _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 8.0 0.0 pH temperature 293 0.0 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label 1H15N_HSQC CBCA(CO)NH HNCACB HNCO HN(CA)HA CC(CO)NH H(C)CH-TOCSY (H)CCH-COSY HNH-NOESY HH-NOESY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name polypeptide _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 13 13 LYS H H 7.958 0.020 . 2 13 13 LYS HA H 4.125 0.020 . 3 13 13 LYS CA C 54.703 0.200 . 4 13 13 LYS CB C 27.720 0.200 . 5 13 13 LYS N N 125.283 0.200 . 6 14 14 LYS H H 8.095 0.020 . 7 14 14 LYS HA H 4.279 0.020 . 8 14 14 LYS HB2 H 1.770 0.020 . 9 14 14 LYS HB3 H 1.708 0.020 . 10 14 14 LYS HG2 H 1.374 0.020 . 11 14 14 LYS HG3 H 1.374 0.020 . 12 14 14 LYS HD2 H 1.643 0.020 . 13 14 14 LYS HD3 H 1.643 0.020 . 14 14 14 LYS HE2 H 2.953 0.020 . 15 14 14 LYS HE3 H 2.953 0.020 . 16 14 14 LYS C C 176.419 0.200 . 17 14 14 LYS CA C 53.561 0.200 . 18 14 14 LYS CB C 30.326 0.200 . 19 14 14 LYS CG C 21.942 0.200 . 20 14 14 LYS CD C 26.369 0.200 . 21 14 14 LYS CE C 39.355 0.200 . 22 14 14 LYS N N 118.582 0.200 . 23 15 15 VAL H H 8.259 0.020 . 24 15 15 VAL HA H 4.062 0.020 . 25 15 15 VAL HB H 1.988 0.020 . 26 15 15 VAL HG1 H 0.840 0.020 . 27 15 15 VAL HG2 H 0.866 0.020 . 28 15 15 VAL C C 175.988 0.200 . 29 15 15 VAL CA C 59.464 0.200 . 30 15 15 VAL CB C 30.023 0.200 . 31 15 15 VAL CG1 C 17.828 0.200 . 32 15 15 VAL CG2 C 18.405 0.200 . 33 15 15 VAL N N 122.817 0.200 . 34 16 16 GLU H H 8.524 0.020 . 35 16 16 GLU HA H 4.250 0.020 . 36 16 16 GLU HB2 H 1.996 0.020 . 37 16 16 GLU HB3 H 1.881 0.020 . 38 16 16 GLU HG2 H 2.212 0.020 . 39 16 16 GLU HG3 H 2.212 0.020 . 40 16 16 GLU C C 176.648 0.200 . 41 16 16 GLU CA C 53.735 0.200 . 42 16 16 GLU CB C 27.660 0.200 . 43 16 16 GLU CG C 33.456 0.200 . 44 16 16 GLU N N 124.805 0.200 . 45 17 17 GLY H H 8.328 0.020 . 46 17 17 GLY HA2 H 3.859 0.020 . 47 17 17 GLY HA3 H 3.792 0.020 . 48 17 17 GLY C C 173.861 0.200 . 49 17 17 GLY CA C 42.342 0.200 . 50 17 17 GLY N N 110.082 0.200 . 51 18 18 GLY H H 7.878 0.020 . 52 18 18 GLY HA2 H 3.644 0.020 . 53 18 18 GLY HA3 H 3.562 0.020 . 54 18 18 GLY C C 172.224 0.200 . 55 18 18 GLY CA C 42.022 0.200 . 56 18 18 GLY N N 107.893 0.200 . 57 19 19 TYR H H 8.286 0.020 . 58 19 19 TYR HA H 4.179 0.020 . 59 19 19 TYR HB2 H 2.421 0.020 . 60 19 19 TYR HB3 H 1.376 0.020 . 61 19 19 TYR HD1 H 6.759 0.020 . 62 19 19 TYR HD2 H 6.759 0.020 . 63 19 19 TYR HE1 H 6.705 0.020 . 64 19 19 TYR HE2 H 6.705 0.020 . 65 19 19 TYR C C 174.691 0.200 . 66 19 19 TYR CA C 55.144 0.200 . 67 19 19 TYR CB C 35.685 0.200 . 68 19 19 TYR N N 120.786 0.200 . 69 20 20 GLU H H 8.261 0.020 . 70 20 20 GLU HA H 4.744 0.020 . 71 20 20 GLU HB2 H 2.009 0.020 . 72 20 20 GLU HB3 H 1.805 0.020 . 73 20 20 GLU HG2 H 2.102 0.020 . 74 20 20 GLU HG3 H 2.028 0.020 . 75 20 20 GLU C C 174.980 0.200 . 76 20 20 GLU CA C 51.861 0.200 . 77 20 20 GLU CB C 29.276 0.200 . 78 20 20 GLU CG C 33.553 0.200 . 79 20 20 GLU N N 122.042 0.200 . 80 21 21 CYS H H 8.837 0.020 . 81 21 21 CYS HA H 4.657 0.020 . 82 21 21 CYS HB2 H 3.538 0.020 . 83 21 21 CYS HB3 H 3.023 0.020 . 84 21 21 CYS C C 175.638 0.200 . 85 21 21 CYS CA C 58.079 0.200 . 86 21 21 CYS CB C 27.718 0.200 . 87 21 21 CYS N N 127.652 0.200 . 88 22 22 LYS H H 8.877 0.020 . 89 22 22 LYS HA H 4.245 0.020 . 90 22 22 LYS HB2 H 1.365 0.020 . 91 22 22 LYS HB3 H 1.167 0.020 . 92 22 22 LYS HG2 H 1.278 0.020 . 93 22 22 LYS HG3 H 1.278 0.020 . 94 22 22 LYS HD2 H 1.593 0.020 . 95 22 22 LYS HD3 H 1.593 0.020 . 96 22 22 LYS HE2 H 2.958 0.020 . 97 22 22 LYS HE3 H 2.958 0.020 . 98 22 22 LYS C C 177.302 0.200 . 99 22 22 LYS CA C 54.137 0.200 . 100 22 22 LYS CB C 29.524 0.200 . 101 22 22 LYS CG C 22.011 0.200 . 102 22 22 LYS CD C 26.081 0.200 . 103 22 22 LYS CE C 39.444 0.200 . 104 22 22 LYS N N 126.064 0.200 . 105 23 23 TYR H H 9.461 0.020 . 106 23 23 TYR HA H 4.482 0.020 . 107 23 23 TYR HB2 H 2.740 0.020 . 108 23 23 TYR HB3 H 2.740 0.020 . 109 23 23 TYR HD1 H 6.920 0.020 . 110 23 23 TYR HD2 H 6.920 0.020 . 111 23 23 TYR HE1 H 6.764 0.020 . 112 23 23 TYR HE2 H 6.764 0.020 . 113 23 23 TYR C C 174.847 0.200 . 114 23 23 TYR CA C 55.512 0.200 . 115 23 23 TYR CB C 35.312 0.200 . 116 23 23 TYR N N 120.566 0.200 . 117 24 24 CYS H H 7.986 0.020 . 118 24 24 CYS HA H 5.040 0.020 . 119 24 24 CYS HB2 H 3.530 0.020 . 120 24 24 CYS HB3 H 3.405 0.020 . 121 24 24 CYS CA C 56.024 0.200 . 122 24 24 CYS CB C 26.748 0.200 . 123 24 24 CYS N N 119.708 0.200 . 124 27 27 GLN HA H 5.088 0.020 . 125 27 27 GLN HB2 H 1.910 0.020 . 126 27 27 GLN HB3 H 1.757 0.020 . 127 27 27 GLN HG2 H 2.209 0.020 . 128 27 27 GLN HG3 H 2.151 0.020 . 129 27 27 GLN HE21 H 6.650 0.020 . 130 27 27 GLN HE22 H 7.436 0.020 . 131 27 27 GLN C C 173.306 0.200 . 132 27 27 GLN CA C 51.070 0.200 . 133 27 27 GLN CB C 29.642 0.200 . 134 27 27 GLN CG C 30.509 0.200 . 135 27 27 GLN NE2 N 111.113 0.200 . 136 28 28 THR H H 8.277 0.020 . 137 28 28 THR HA H 4.866 0.020 . 138 28 28 THR HB H 4.173 0.020 . 139 28 28 THR HG2 H 1.383 0.020 . 140 28 28 THR CA C 55.473 0.200 . 141 28 28 THR CB C 66.530 0.200 . 142 28 28 THR CG2 C 19.014 0.200 . 143 28 28 THR N N 115.984 0.200 . 144 29 29 PRO HA H 4.733 0.020 . 145 29 29 PRO HB2 H 2.292 0.020 . 146 29 29 PRO HB3 H 2.096 0.020 . 147 29 29 PRO HG2 H 1.997 0.020 . 148 29 29 PRO HG3 H 1.997 0.020 . 149 29 29 PRO HD2 H 4.003 0.020 . 150 29 29 PRO HD3 H 3.725 0.020 . 151 29 29 PRO C C 175.956 0.200 . 152 29 29 PRO CA C 60.575 0.200 . 153 29 29 PRO CB C 29.627 0.200 . 154 29 29 PRO CG C 23.971 0.200 . 155 29 29 PRO CD C 48.980 0.200 . 156 30 30 ASP H H 8.262 0.020 . 157 30 30 ASP HA H 4.932 0.020 . 158 30 30 ASP HB2 H 3.036 0.020 . 159 30 30 ASP HB3 H 2.582 0.020 . 160 30 30 ASP C C 175.446 0.200 . 161 30 30 ASP CA C 50.799 0.200 . 162 30 30 ASP CB C 41.019 0.200 . 163 30 30 ASP N N 121.564 0.200 . 164 31 31 LEU H H 9.072 0.020 . 165 31 31 LEU HA H 3.470 0.020 . 166 31 31 LEU HB2 H 1.671 0.020 . 167 31 31 LEU HB3 H 1.521 0.020 . 168 31 31 LEU HG H 1.419 0.020 . 169 31 31 LEU HD1 H 0.518 0.020 . 170 31 31 LEU HD2 H 0.810 0.020 . 171 31 31 LEU C C 178.496 0.200 . 172 31 31 LEU CA C 55.323 0.200 . 173 31 31 LEU CB C 38.541 0.200 . 174 31 31 LEU CG C 24.018 0.200 . 175 31 31 LEU CD1 C 19.302 0.200 . 176 31 31 LEU CD2 C 22.963 0.200 . 177 31 31 LEU N N 129.193 0.200 . 178 32 32 ASN H H 8.404 0.020 . 179 32 32 ASN HA H 4.427 0.020 . 180 32 32 ASN HB2 H 3.011 0.020 . 181 32 32 ASN HB3 H 2.782 0.020 . 182 32 32 ASN HD21 H 6.995 0.020 . 183 32 32 ASN HD22 H 7.931 0.020 . 184 32 32 ASN C C 178.307 0.200 . 185 32 32 ASN CA C 53.790 0.200 . 186 32 32 ASN CB C 34.907 0.200 . 187 32 32 ASN N N 117.623 0.200 . 188 32 32 ASN ND2 N 114.122 0.200 . 189 33 33 MET H H 8.157 0.020 . 190 33 33 MET HA H 4.539 0.020 . 191 33 33 MET HB2 H 2.545 0.020 . 192 33 33 MET HB3 H 2.420 0.020 . 193 33 33 MET HG2 H 2.904 0.020 . 194 33 33 MET HG3 H 2.838 0.020 . 195 33 33 MET C C 178.884 0.200 . 196 33 33 MET CA C 55.005 0.200 . 197 33 33 MET CB C 29.492 0.200 . 198 33 33 MET CG C 30.012 0.200 . 199 33 33 MET N N 120.086 0.200 . 200 34 34 PHE H H 8.742 0.020 . 201 34 34 PHE HA H 4.386 0.020 . 202 34 34 PHE HB2 H 3.022 0.020 . 203 34 34 PHE HB3 H 3.022 0.020 . 204 34 34 PHE HD1 H 7.015 0.020 . 205 34 34 PHE HD2 H 7.015 0.020 . 206 34 34 PHE C C 176.309 0.200 . 207 34 34 PHE CA C 59.538 0.200 . 208 34 34 PHE CB C 36.124 0.200 . 209 34 34 PHE N N 122.303 0.200 . 210 35 35 THR H H 8.674 0.020 . 211 35 35 THR HA H 3.605 0.020 . 212 35 35 THR HB H 4.206 0.020 . 213 35 35 THR HG2 H 1.161 0.020 . 214 35 35 THR C C 176.396 0.200 . 215 35 35 THR CA C 63.511 0.200 . 216 35 35 THR CB C 65.782 0.200 . 217 35 35 THR CG2 C 18.909 0.200 . 218 35 35 THR N N 114.162 0.200 . 219 36 36 PHE H H 7.803 0.020 . 220 36 36 PHE HA H 4.215 0.020 . 221 36 36 PHE HB2 H 3.260 0.020 . 222 36 36 PHE HB3 H 3.090 0.020 . 223 36 36 PHE HD1 H 7.229 0.020 . 224 36 36 PHE HD2 H 7.229 0.020 . 225 36 36 PHE C C 178.204 0.200 . 226 36 36 PHE CA C 58.267 0.200 . 227 36 36 PHE CB C 36.231 0.200 . 228 36 36 PHE N N 120.546 0.200 . 229 37 37 HIS H H 8.425 0.020 . 230 37 37 HIS HA H 3.654 0.020 . 231 37 37 HIS HB2 H 3.335 0.020 . 232 37 37 HIS HB3 H 2.523 0.020 . 233 37 37 HIS C C 175.693 0.200 . 234 37 37 HIS CA C 57.369 0.200 . 235 37 37 HIS CB C 25.301 0.200 . 236 37 37 HIS N N 120.479 0.200 . 237 38 38 VAL H H 7.949 0.020 . 238 38 38 VAL HA H 3.176 0.020 . 239 38 38 VAL HB H 1.872 0.020 . 240 38 38 VAL HG1 H 0.809 0.020 . 241 38 38 VAL HG2 H 0.953 0.020 . 242 38 38 VAL C C 177.399 0.200 . 243 38 38 VAL CA C 64.713 0.200 . 244 38 38 VAL CB C 28.703 0.200 . 245 38 38 VAL CG1 C 19.507 0.200 . 246 38 38 VAL CG2 C 20.481 0.200 . 247 38 38 VAL N N 118.132 0.200 . 248 39 39 ASP H H 7.654 0.020 . 249 39 39 ASP HA H 4.132 0.020 . 250 39 39 ASP HB2 H 2.524 0.020 . 251 39 39 ASP HB3 H 2.384 0.020 . 252 39 39 ASP C C 177.366 0.200 . 253 39 39 ASP CA C 54.136 0.200 . 254 39 39 ASP CB C 38.541 0.200 . 255 39 39 ASP N N 116.605 0.200 . 256 40 40 SER H H 7.587 0.020 . 257 40 40 SER HA H 3.993 0.020 . 258 40 40 SER HB2 H 3.340 0.020 . 259 40 40 SER HB3 H 3.251 0.020 . 260 40 40 SER C C 176.091 0.200 . 261 40 40 SER CA C 57.250 0.200 . 262 40 40 SER CB C 60.981 0.200 . 263 40 40 SER N N 110.263 0.200 . 264 41 41 GLU H H 8.023 0.020 . 265 41 41 GLU HA H 4.031 0.020 . 266 41 41 GLU HB2 H 1.010 0.020 . 267 41 41 GLU HB3 H 1.010 0.020 . 268 41 41 GLU HG2 H 1.753 0.020 . 269 41 41 GLU HG3 H 1.753 0.020 . 270 41 41 GLU C C 176.192 0.200 . 271 41 41 GLU CA C 53.547 0.200 . 272 41 41 GLU CB C 25.953 0.200 . 273 41 41 GLU CG C 33.145 0.200 . 274 41 41 GLU N N 118.572 0.200 . 275 42 42 HIS H H 7.378 0.020 . 276 42 42 HIS HA H 5.207 0.020 . 277 42 42 HIS HB2 H 3.144 0.020 . 278 42 42 HIS HB3 H 2.572 0.020 . 279 42 42 HIS CA C 48.607 0.200 . 280 42 42 HIS CB C 25.369 0.200 . 281 42 42 HIS N N 115.102 0.200 . 282 43 43 PRO HA H 4.315 0.020 . 283 43 43 PRO HB2 H 2.242 0.020 . 284 43 43 PRO HB3 H 1.854 0.020 . 285 43 43 PRO HG2 H 1.865 0.020 . 286 43 43 PRO HG3 H 1.762 0.020 . 287 43 43 PRO HD2 H 3.344 0.020 . 288 43 43 PRO HD3 H 3.013 0.020 . 289 43 43 PRO CA C 61.664 0.200 . 290 43 43 PRO CB C 28.798 0.200 . 291 43 43 PRO CG C 24.577 0.200 . 292 43 43 PRO CD C 47.876 0.200 . 293 44 44 ASN H H 8.499 0.020 . 294 44 44 ASN HA H 4.559 0.020 . 295 44 44 ASN HB2 H 2.750 0.020 . 296 44 44 ASN HB3 H 2.750 0.020 . 297 44 44 ASN HD21 H 6.874 0.020 . 298 44 44 ASN HD22 H 7.607 0.020 . 299 44 44 ASN C C 175.656 0.200 . 300 44 44 ASN CA C 51.287 0.200 . 301 44 44 ASN CB C 35.323 0.200 . 302 44 44 ASN N N 115.621 0.200 . 303 44 44 ASN ND2 N 113.808 0.200 . 304 45 45 VAL H H 7.598 0.020 . 305 45 45 VAL HA H 3.967 0.020 . 306 45 45 VAL HB H 1.943 0.020 . 307 45 45 VAL HG1 H 0.551 0.020 . 308 45 45 VAL HG2 H 0.605 0.020 . 309 45 45 VAL CA C 60.293 0.200 . 310 45 45 VAL CB C 29.375 0.200 . 311 45 45 VAL CG1 C 17.535 0.200 . 312 45 45 VAL CG2 C 18.059 0.200 . 313 45 45 VAL N N 118.796 0.200 . 314 46 46 VAL H H 7.900 0.020 . 315 46 46 VAL HA H 4.046 0.020 . 316 46 46 VAL HB H 2.090 0.020 . 317 46 46 VAL CA C 60.218 0.200 . 318 46 46 VAL CB C 29.492 0.200 . 319 46 46 VAL N N 122.187 0.200 . 320 49 49 SER HA H 5.203 0.020 . 321 49 49 SER HB2 H 3.784 0.020 . 322 49 49 SER HB3 H 3.706 0.020 . 323 49 49 SER C C 173.846 0.200 . 324 49 49 SER CA C 55.237 0.200 . 325 49 49 SER CB C 62.775 0.200 . 326 50 50 SER H H 7.998 0.020 . 327 50 50 SER HA H 4.875 0.020 . 328 50 50 SER HB2 H 3.728 0.020 . 329 50 50 SER HB3 H 3.602 0.020 . 330 50 50 SER C C 170.955 0.200 . 331 50 50 SER CA C 55.170 0.200 . 332 50 50 SER CB C 63.143 0.200 . 333 50 50 SER N N 114.607 0.200 . 334 51 51 TYR H H 9.238 0.020 . 335 51 51 TYR HA H 5.413 0.020 . 336 51 51 TYR HB2 H 2.797 0.020 . 337 51 51 TYR HB3 H 2.797 0.020 . 338 51 51 TYR HD1 H 6.863 0.020 . 339 51 51 TYR HD2 H 6.863 0.020 . 340 51 51 TYR C C 174.653 0.200 . 341 51 51 TYR CA C 54.334 0.200 . 342 51 51 TYR CB C 38.615 0.200 . 343 51 51 TYR N N 120.777 0.200 . 344 52 52 VAL H H 8.838 0.020 . 345 52 52 VAL HA H 5.392 0.020 . 346 52 52 VAL HB H 1.834 0.020 . 347 52 52 VAL HG1 H 0.769 0.020 . 348 52 52 VAL HG2 H 0.811 0.020 . 349 52 52 VAL C C 175.934 0.200 . 350 52 52 VAL CA C 56.043 0.200 . 351 52 52 VAL CB C 34.080 0.200 . 352 52 52 VAL CG1 C 17.529 0.200 . 353 52 52 VAL CG2 C 18.872 0.200 . 354 52 52 VAL N N 120.132 0.200 . 355 53 53 CYS H H 9.262 0.020 . 356 53 53 CYS HA H 4.889 0.020 . 357 53 53 CYS HB2 H 2.682 0.020 . 358 53 53 CYS HB3 H 3.001 0.020 . 359 53 53 CYS C C 176.723 0.200 . 360 53 53 CYS CA C 56.559 0.200 . 361 53 53 CYS CB C 26.337 0.200 . 362 53 53 CYS N N 128.499 0.200 . 363 54 54 VAL H H 8.636 0.020 . 364 54 54 VAL HA H 3.689 0.020 . 365 54 54 VAL HB H 2.195 0.020 . 366 54 54 VAL HG1 H 0.969 0.020 . 367 54 54 VAL HG2 H 1.027 0.020 . 368 54 54 VAL C C 178.445 0.200 . 369 54 54 VAL CA C 63.493 0.200 . 370 54 54 VAL CB C 29.572 0.200 . 371 54 54 VAL CG1 C 18.039 0.200 . 372 54 54 VAL CG2 C 19.973 0.200 . 373 54 54 VAL N N 130.646 0.200 . 374 55 55 GLU H H 8.788 0.020 . 375 55 55 GLU HA H 4.185 0.020 . 376 55 55 GLU HB2 H 2.250 0.020 . 377 55 55 GLU HB3 H 2.196 0.020 . 378 55 55 GLU HG2 H 2.445 0.020 . 379 55 55 GLU HG3 H 2.445 0.020 . 380 55 55 GLU C C 178.400 0.200 . 381 55 55 GLU CA C 56.655 0.200 . 382 55 55 GLU CB C 27.091 0.200 . 383 55 55 GLU CG C 33.540 0.200 . 384 55 55 GLU N N 119.757 0.200 . 385 56 56 CYS H H 7.374 0.020 . 386 56 56 CYS HA H 4.275 0.020 . 387 56 56 CYS HB2 H 3.193 0.020 . 388 56 56 CYS HB3 H 2.557 0.020 . 389 56 56 CYS C C 175.729 0.200 . 390 56 56 CYS CA C 57.458 0.200 . 391 56 56 CYS CB C 28.593 0.200 . 392 56 56 CYS N N 115.914 0.200 . 393 57 57 ASN H H 8.324 0.020 . 394 57 57 ASN HA H 4.130 0.020 . 395 57 57 ASN HB2 H 3.198 0.020 . 396 57 57 ASN HB3 H 2.644 0.020 . 397 57 57 ASN HD21 H 6.761 0.020 . 398 57 57 ASN HD22 H 7.561 0.020 . 399 57 57 ASN C C 173.377 0.200 . 400 57 57 ASN CA C 51.555 0.200 . 401 57 57 ASN CB C 34.664 0.200 . 402 57 57 ASN N N 119.040 0.200 . 403 57 57 ASN ND2 N 111.698 0.200 . 404 58 58 PHE H H 7.257 0.020 . 405 58 58 PHE HA H 4.702 0.020 . 406 58 58 PHE HB2 H 2.072 0.020 . 407 58 58 PHE HB3 H 2.072 0.020 . 408 58 58 PHE HD1 H 6.730 0.020 . 409 58 58 PHE HD2 H 6.730 0.020 . 410 58 58 PHE HE1 H 7.085 0.020 . 411 58 58 PHE HE2 H 7.085 0.020 . 412 58 58 PHE HZ H 7.111 0.020 . 413 58 58 PHE C C 171.637 0.200 . 414 58 58 PHE CA C 53.518 0.200 . 415 58 58 PHE CB C 38.952 0.200 . 416 58 58 PHE N N 117.979 0.200 . 417 59 59 LEU H H 7.829 0.020 . 418 59 59 LEU HA H 4.951 0.020 . 419 59 59 LEU HB2 H 1.397 0.020 . 420 59 59 LEU HB3 H 1.307 0.020 . 421 59 59 LEU HG H 1.353 0.020 . 422 59 59 LEU HD1 H 0.685 0.020 . 423 59 59 LEU HD2 H 0.739 0.020 . 424 59 59 LEU C C 174.811 0.200 . 425 59 59 LEU CA C 51.055 0.200 . 426 59 59 LEU CB C 41.992 0.200 . 427 59 59 LEU CG C 25.309 0.200 . 428 59 59 LEU N N 129.985 0.200 . 429 60 60 THR H H 8.889 0.020 . 430 60 60 THR HA H 4.509 0.020 . 431 60 60 THR HB H 3.768 0.020 . 432 60 60 THR HG2 H 1.008 0.020 . 433 60 60 THR CA C 57.248 0.200 . 434 60 60 THR CB C 66.159 0.200 . 435 60 60 THR CG2 C 17.419 0.200 . 436 60 60 THR N N 118.462 0.200 . 437 62 62 ARG HG2 H 1.691 0.020 . 438 62 62 ARG HG3 H 1.619 0.020 . 439 62 62 ARG HD2 H 3.349 0.020 . 440 62 62 ARG HD3 H 3.260 0.020 . 441 62 62 ARG CG C 24.596 0.200 . 442 62 62 ARG CD C 40.624 0.200 . 443 64 64 ASP HA H 4.117 0.020 . 444 64 64 ASP HB2 H 2.712 0.020 . 445 64 64 ASP HB3 H 2.712 0.020 . 446 64 64 ASP C C 178.446 0.200 . 447 64 64 ASP CA C 53.964 0.200 . 448 64 64 ASP CB C 36.518 0.200 . 449 65 65 ALA H H 7.209 0.020 . 450 65 65 ALA HA H 4.373 0.020 . 451 65 65 ALA HB H 1.780 0.020 . 452 65 65 ALA C C 181.357 0.200 . 453 65 65 ALA CA C 51.589 0.200 . 454 65 65 ALA CB C 15.844 0.200 . 455 65 65 ALA N N 122.018 0.200 . 456 66 66 LEU H H 7.559 0.020 . 457 66 66 LEU HA H 4.225 0.020 . 458 66 66 LEU HB2 H 1.753 0.020 . 459 66 66 LEU HB3 H 0.896 0.020 . 460 66 66 LEU HG H 1.482 0.020 . 461 66 66 LEU HD1 H 0.779 0.020 . 462 66 66 LEU HD2 H 0.899 0.020 . 463 66 66 LEU C C 177.642 0.200 . 464 66 66 LEU CA C 55.081 0.200 . 465 66 66 LEU CB C 38.041 0.200 . 466 66 66 LEU CG C 23.750 0.200 . 467 66 66 LEU CD1 C 19.470 0.200 . 468 66 66 LEU CD2 C 23.121 0.200 . 469 66 66 LEU N N 124.633 0.200 . 470 67 67 SER H H 7.992 0.020 . 471 67 67 SER HA H 3.962 0.020 . 472 67 67 SER HB2 H 3.785 0.020 . 473 67 67 SER HB3 H 3.734 0.020 . 474 67 67 SER C C 177.198 0.200 . 475 67 67 SER CA C 59.094 0.200 . 476 67 67 SER CB C 59.309 0.200 . 477 67 67 SER N N 114.754 0.200 . 478 68 68 GLU H H 7.773 0.020 . 479 68 68 GLU HA H 3.957 0.020 . 480 68 68 GLU HB2 H 2.100 0.020 . 481 68 68 GLU HB3 H 2.057 0.020 . 482 68 68 GLU HG2 H 2.385 0.020 . 483 68 68 GLU HG3 H 2.215 0.020 . 484 68 68 GLU C C 178.443 0.200 . 485 68 68 GLU CA C 56.911 0.200 . 486 68 68 GLU CB C 26.979 0.200 . 487 68 68 GLU CG C 33.528 0.200 . 488 68 68 GLU N N 120.813 0.200 . 489 69 69 HIS H H 7.844 0.020 . 490 69 69 HIS HA H 4.119 0.020 . 491 69 69 HIS HB2 H 3.716 0.020 . 492 69 69 HIS HB3 H 2.598 0.020 . 493 69 69 HIS C C 176.511 0.200 . 494 69 69 HIS CA C 57.189 0.200 . 495 69 69 HIS CB C 25.069 0.200 . 496 69 69 HIS N N 120.387 0.200 . 497 70 70 ASN H H 8.601 0.020 . 498 70 70 ASN HA H 4.405 0.020 . 499 70 70 ASN HB2 H 2.932 0.020 . 500 70 70 ASN HB3 H 2.932 0.020 . 501 70 70 ASN HD21 H 6.757 0.020 . 502 70 70 ASN HD22 H 7.534 0.020 . 503 70 70 ASN C C 178.158 0.200 . 504 70 70 ASN CA C 53.175 0.200 . 505 70 70 ASN CB C 34.463 0.200 . 506 70 70 ASN N N 120.657 0.200 . 507 70 70 ASN ND2 N 107.422 0.200 . 508 71 71 LEU H H 7.741 0.020 . 509 71 71 LEU HA H 3.998 0.020 . 510 71 71 LEU HB2 H 1.744 0.020 . 511 71 71 LEU HB3 H 1.556 0.020 . 512 71 71 LEU HG H 1.709 0.020 . 513 71 71 LEU C C 178.068 0.200 . 514 71 71 LEU CA C 54.904 0.200 . 515 71 71 LEU CB C 39.483 0.200 . 516 71 71 LEU CG C 24.101 0.200 . 517 71 71 LEU CD1 C 21.138 0.200 . 518 71 71 LEU CD2 C 22.106 0.200 . 519 71 71 LEU N N 120.143 0.200 . 520 72 72 LYS H H 7.320 0.020 . 521 72 72 LYS HA H 3.876 0.020 . 522 72 72 LYS HB2 H 1.512 0.020 . 523 72 72 LYS HB3 H 1.258 0.020 . 524 72 72 LYS HG2 H 0.944 0.020 . 525 72 72 LYS HG3 H 0.507 0.020 . 526 72 72 LYS HD2 H 1.431 0.020 . 527 72 72 LYS HD3 H 1.431 0.020 . 528 72 72 LYS HE2 H 2.758 0.020 . 529 72 72 LYS HE3 H 2.758 0.020 . 530 72 72 LYS C C 178.042 0.200 . 531 72 72 LYS CA C 55.396 0.200 . 532 72 72 LYS CB C 30.742 0.200 . 533 72 72 LYS CG C 22.096 0.200 . 534 72 72 LYS CD C 26.265 0.200 . 535 72 72 LYS CE C 39.337 0.200 . 536 72 72 LYS N N 115.774 0.200 . 537 73 73 TYR H H 8.460 0.020 . 538 73 73 TYR HA H 4.066 0.020 . 539 73 73 TYR HB2 H 2.177 0.020 . 540 73 73 TYR HB3 H 1.392 0.020 . 541 73 73 TYR HD1 H 6.866 0.020 . 542 73 73 TYR HD2 H 6.866 0.020 . 543 73 73 TYR HE1 H 6.792 0.020 . 544 73 73 TYR HE2 H 6.792 0.020 . 545 73 73 TYR C C 174.902 0.200 . 546 73 73 TYR CA C 56.797 0.200 . 547 73 73 TYR CB C 35.439 0.200 . 548 73 73 TYR N N 113.871 0.200 . 549 74 74 HIS H H 7.810 0.020 . 550 74 74 HIS HA H 5.231 0.020 . 551 74 74 HIS HB2 H 3.406 0.020 . 552 74 74 HIS HB3 H 3.266 0.020 . 553 74 74 HIS C C 179.135 0.200 . 554 74 74 HIS CA C 49.810 0.200 . 555 74 74 HIS CB C 27.118 0.200 . 556 74 74 HIS N N 117.527 0.200 . 557 75 75 PRO HA H 4.331 0.020 . 558 75 75 PRO HB2 H 2.266 0.020 . 559 75 75 PRO HB3 H 1.929 0.020 . 560 75 75 PRO HG2 H 1.966 0.020 . 561 75 75 PRO HG3 H 1.895 0.020 . 562 75 75 PRO HD2 H 3.352 0.020 . 563 75 75 PRO HD3 H 3.018 0.020 . 564 75 75 PRO C C 179.135 0.200 . 565 75 75 PRO CA C 61.663 0.200 . 566 75 75 PRO CB C 28.262 0.200 . 567 75 75 PRO CG C 25.174 0.200 . 568 75 75 PRO CD C 47.586 0.200 . 569 76 76 GLY H H 8.964 0.020 . 570 76 76 GLY HA2 H 3.997 0.020 . 571 76 76 GLY HA3 H 3.817 0.020 . 572 76 76 GLY C C 173.904 0.200 . 573 76 76 GLY CA C 42.606 0.200 . 574 76 76 GLY N N 110.968 0.200 . 575 77 77 GLU H H 7.544 0.020 . 576 77 77 GLU HA H 4.110 0.020 . 577 77 77 GLU HB2 H 1.789 0.020 . 578 77 77 GLU HB3 H 1.789 0.020 . 579 77 77 GLU HG2 H 1.506 0.020 . 580 77 77 GLU HG3 H 1.135 0.020 . 581 77 77 GLU C C 176.083 0.200 . 582 77 77 GLU CA C 53.263 0.200 . 583 77 77 GLU CB C 27.949 0.200 . 584 77 77 GLU CG C 33.208 0.200 . 585 77 77 GLU N N 120.803 0.200 . 586 78 78 GLU H H 8.404 0.020 . 587 78 78 GLU HA H 4.583 0.020 . 588 78 78 GLU HB2 H 2.149 0.020 . 589 78 78 GLU HB3 H 1.769 0.020 . 590 78 78 GLU HG2 H 2.211 0.020 . 591 78 78 GLU HG3 H 2.211 0.020 . 592 78 78 GLU C C 176.838 0.200 . 593 78 78 GLU CA C 53.310 0.200 . 594 78 78 GLU CB C 29.241 0.200 . 595 78 78 GLU CG C 33.296 0.200 . 596 78 78 GLU N N 123.413 0.200 . 597 79 79 ASN H H 9.187 0.020 . 598 79 79 ASN HA H 5.023 0.020 . 599 79 79 ASN HB2 H 2.876 0.020 . 600 79 79 ASN HB3 H 2.660 0.020 . 601 79 79 ASN HD21 H 6.933 0.020 . 602 79 79 ASN HD22 H 7.825 0.020 . 603 79 79 ASN C C 174.154 0.200 . 604 79 79 ASN CA C 50.033 0.200 . 605 79 79 ASN CB C 35.906 0.200 . 606 79 79 ASN N N 121.597 0.200 . 607 79 79 ASN ND2 N 115.064 0.200 . 608 80 80 PHE H H 7.821 0.020 . 609 80 80 PHE HA H 5.024 0.020 . 610 80 80 PHE HB2 H 2.923 0.020 . 611 80 80 PHE HB3 H 2.861 0.020 . 612 80 80 PHE HD1 H 6.997 0.020 . 613 80 80 PHE HD2 H 6.997 0.020 . 614 80 80 PHE HE1 H 6.894 0.020 . 615 80 80 PHE HE2 H 6.894 0.020 . 616 80 80 PHE C C 176.318 0.200 . 617 80 80 PHE CA C 55.173 0.200 . 618 80 80 PHE CB C 38.398 0.200 . 619 80 80 PHE N N 118.715 0.200 . 620 81 81 LYS H H 9.280 0.020 . 621 81 81 LYS HA H 4.691 0.020 . 622 81 81 LYS HB2 H 1.856 0.020 . 623 81 81 LYS HB3 H 1.700 0.020 . 624 81 81 LYS HG2 H 1.377 0.020 . 625 81 81 LYS HG3 H 1.304 0.020 . 626 81 81 LYS HD2 H 1.627 0.020 . 627 81 81 LYS HD3 H 1.627 0.020 . 628 81 81 LYS HE2 H 2.929 0.020 . 629 81 81 LYS HE3 H 2.929 0.020 . 630 81 81 LYS C C 174.302 0.200 . 631 81 81 LYS CA C 52.572 0.200 . 632 81 81 LYS CB C 32.264 0.200 . 633 81 81 LYS CG C 21.992 0.200 . 634 81 81 LYS CD C 26.495 0.200 . 635 81 81 LYS N N 124.035 0.200 . 636 82 82 LEU H H 8.658 0.020 . 637 82 82 LEU HA H 5.449 0.020 . 638 82 82 LEU HB2 H 1.711 0.020 . 639 82 82 LEU HB3 H 1.711 0.020 . 640 82 82 LEU HG H 1.696 0.020 . 641 82 82 LEU C C 176.517 0.200 . 642 82 82 LEU CA C 50.868 0.200 . 643 82 82 LEU CB C 42.144 0.200 . 644 82 82 LEU CG C 24.897 0.200 . 645 82 82 LEU N N 126.047 0.200 . 646 83 83 THR H H 8.935 0.020 . 647 83 83 THR HA H 4.617 0.020 . 648 83 83 THR HB H 4.030 0.020 . 649 83 83 THR HG2 H 1.203 0.020 . 650 83 83 THR C C 172.891 0.200 . 651 83 83 THR CA C 58.939 0.200 . 652 83 83 THR CB C 68.406 0.200 . 653 83 83 THR CG2 C 18.805 0.200 . 654 83 83 THR N N 121.481 0.200 . 655 84 84 MET H H 8.957 0.020 . 656 84 84 MET HA H 4.514 0.020 . 657 84 84 MET HB2 H 1.992 0.020 . 658 84 84 MET HB3 H 1.770 0.020 . 659 84 84 MET HG2 H 1.721 0.020 . 660 84 84 MET HG3 H 1.721 0.020 . 661 84 84 MET C C 174.632 0.200 . 662 84 84 MET CA C 53.116 0.200 . 663 84 84 MET CB C 31.226 0.200 . 664 84 84 MET CG C 28.999 0.200 . 665 84 84 MET N N 127.730 0.200 . 666 85 85 VAL H H 9.339 0.020 . 667 85 85 VAL HA H 4.284 0.020 . 668 85 85 VAL HB H 1.917 0.020 . 669 85 85 VAL HG1 H 0.745 0.020 . 670 85 85 VAL HG2 H 0.768 0.020 . 671 85 85 VAL C C 173.637 0.200 . 672 85 85 VAL CA C 58.042 0.200 . 673 85 85 VAL CB C 32.298 0.200 . 674 85 85 VAL CG1 C 17.398 0.200 . 675 85 85 VAL CG2 C 18.141 0.200 . 676 85 85 VAL N N 127.656 0.200 . 677 86 86 LYS H H 8.350 0.020 . 678 86 86 LYS HA H 5.018 0.020 . 679 86 86 LYS HB2 H 1.657 0.020 . 680 86 86 LYS HB3 H 1.564 0.020 . 681 86 86 LYS HG2 H 1.236 0.020 . 682 86 86 LYS HG3 H 1.236 0.020 . 683 86 86 LYS HD2 H 1.529 0.020 . 684 86 86 LYS HD3 H 1.529 0.020 . 685 86 86 LYS HE2 H 2.830 0.020 . 686 86 86 LYS HE3 H 2.830 0.020 . 687 86 86 LYS C C 176.321 0.200 . 688 86 86 LYS CA C 52.003 0.200 . 689 86 86 LYS CB C 30.571 0.200 . 690 86 86 LYS CG C 21.891 0.200 . 691 86 86 LYS CD C 26.447 0.200 . 692 86 86 LYS CE C 39.199 0.200 . 693 86 86 LYS N N 124.503 0.200 . 694 87 87 ARG H H 8.388 0.020 . 695 87 87 ARG HA H 4.517 0.020 . 696 87 87 ARG HB2 H 1.663 0.020 . 697 87 87 ARG HB3 H 1.539 0.020 . 698 87 87 ARG HG2 H 1.431 0.020 . 699 87 87 ARG HG3 H 1.431 0.020 . 700 87 87 ARG HD2 H 3.156 0.020 . 701 87 87 ARG HD3 H 3.021 0.020 . 702 87 87 ARG CA C 52.251 0.200 . 703 87 87 ARG CB C 29.778 0.200 . 704 87 87 ARG CG C 24.399 0.200 . 705 87 87 ARG CD C 40.639 0.200 . 706 87 87 ARG N N 124.303 0.200 . 707 89 89 ASN H H 7.617 0.020 . 708 89 89 ASN HA H 4.356 0.020 . 709 89 89 ASN HB2 H 3.006 0.020 . 710 89 89 ASN HB3 H 2.897 0.020 . 711 89 89 ASN HD21 H 6.932 0.020 . 712 89 89 ASN HD22 H 7.596 0.020 . 713 89 89 ASN C C 174.041 0.200 . 714 89 89 ASN CA C 51.689 0.200 . 715 89 89 ASN CB C 35.285 0.200 . 716 89 89 ASN N N 118.734 0.200 . 717 89 89 ASN ND2 N 113.375 0.200 . 718 90 90 GLN H H 7.941 0.020 . 719 90 90 GLN HA H 4.664 0.020 . 720 90 90 GLN HB2 H 2.061 0.020 . 721 90 90 GLN HB3 H 1.998 0.020 . 722 90 90 GLN HG2 H 2.283 0.020 . 723 90 90 GLN HG3 H 2.283 0.020 . 724 90 90 GLN HE21 H 6.829 0.020 . 725 90 90 GLN HE22 H 7.375 0.020 . 726 90 90 GLN C C 174.826 0.200 . 727 90 90 GLN CA C 51.981 0.200 . 728 90 90 GLN CB C 28.993 0.200 . 729 90 90 GLN CG C 31.046 0.200 . 730 90 90 GLN N N 118.684 0.200 . 731 90 90 GLN NE2 N 111.818 0.200 . 732 91 91 THR H H 8.390 0.020 . 733 91 91 THR HA H 4.489 0.020 . 734 91 91 THR HB H 3.826 0.020 . 735 91 91 THR HG2 H 0.659 0.020 . 736 91 91 THR C C 172.891 0.200 . 737 91 91 THR CA C 60.217 0.200 . 738 91 91 THR CB C 66.583 0.200 . 739 91 91 THR CG2 C 19.523 0.200 . 740 91 91 THR N N 119.721 0.200 . 741 92 92 ILE H H 8.969 0.020 . 742 92 92 ILE HA H 4.417 0.020 . 743 92 92 ILE HB H 1.609 0.020 . 744 92 92 ILE HG12 H 1.207 0.020 . 745 92 92 ILE HG13 H 0.930 0.020 . 746 92 92 ILE HG2 H 0.665 0.020 . 747 92 92 ILE HD1 H 0.658 0.020 . 748 92 92 ILE C C 174.044 0.200 . 749 92 92 ILE CA C 56.359 0.200 . 750 92 92 ILE CB C 37.996 0.200 . 751 92 92 ILE CG1 C 25.038 0.200 . 752 92 92 ILE CG2 C 15.700 0.200 . 753 92 92 ILE CD1 C 11.096 0.200 . 754 92 92 ILE N N 127.755 0.200 . 755 93 93 PHE H H 8.859 0.020 . 756 93 93 PHE HA H 4.992 0.020 . 757 93 93 PHE HB2 H 2.985 0.020 . 758 93 93 PHE HB3 H 2.696 0.020 . 759 93 93 PHE HD1 H 6.727 0.020 . 760 93 93 PHE HD2 H 6.727 0.020 . 761 93 93 PHE C C 174.870 0.200 . 762 93 93 PHE CA C 53.917 0.200 . 763 93 93 PHE CB C 37.529 0.200 . 764 93 93 PHE N N 124.565 0.200 . 765 94 94 GLU H H 9.116 0.020 . 766 94 94 GLU HA H 4.750 0.020 . 767 94 94 GLU HB2 H 1.751 0.020 . 768 94 94 GLU HB3 H 1.751 0.020 . 769 94 94 GLU HG2 H 2.223 0.020 . 770 94 94 GLU HG3 H 1.881 0.020 . 771 94 94 GLU C C 176.248 0.200 . 772 94 94 GLU CA C 52.690 0.200 . 773 94 94 GLU CB C 28.835 0.200 . 774 94 94 GLU CG C 34.515 0.200 . 775 94 94 GLU N N 122.724 0.200 . 776 95 95 GLN H H 10.135 0.020 . 777 95 95 GLN HA H 5.858 0.020 . 778 95 95 GLN HB2 H 2.403 0.020 . 779 95 95 GLN HB3 H 2.403 0.020 . 780 95 95 GLN HG2 H 2.089 0.020 . 781 95 95 GLN HG3 H 1.984 0.020 . 782 95 95 GLN HE21 H 7.100 0.020 . 783 95 95 GLN HE22 H 8.839 0.020 . 784 95 95 GLN C C 175.480 0.200 . 785 95 95 GLN CA C 52.046 0.200 . 786 95 95 GLN CB C 30.005 0.200 . 787 95 95 GLN CG C 34.908 0.200 . 788 95 95 GLN N N 128.388 0.200 . 789 95 95 GLN NE2 N 112.310 0.200 . 790 96 96 THR H H 9.227 0.020 . 791 96 96 THR HA H 5.016 0.020 . 792 96 96 THR HB H 4.342 0.020 . 793 96 96 THR HG2 H 1.245 0.020 . 794 96 96 THR C C 173.357 0.200 . 795 96 96 THR CA C 56.736 0.200 . 796 96 96 THR CB C 69.426 0.200 . 797 96 96 THR CG2 C 20.051 0.200 . 798 96 96 THR N N 119.511 0.200 . 799 97 97 ILE H H 8.911 0.020 . 800 97 97 ILE HA H 4.310 0.020 . 801 97 97 ILE HB H 1.621 0.020 . 802 97 97 ILE HG12 H 1.473 0.020 . 803 97 97 ILE HG13 H 0.775 0.020 . 804 97 97 ILE HG2 H 0.652 0.020 . 805 97 97 ILE HD1 H 0.475 0.020 . 806 97 97 ILE C C 176.327 0.200 . 807 97 97 ILE CA C 58.574 0.200 . 808 97 97 ILE CB C 36.426 0.200 . 809 97 97 ILE CG1 C 25.622 0.200 . 810 97 97 ILE CG2 C 14.883 0.200 . 811 97 97 ILE CD1 C 10.076 0.200 . 812 97 97 ILE N N 121.045 0.200 . 813 98 98 ASN H H 8.534 0.020 . 814 98 98 ASN HA H 4.619 0.020 . 815 98 98 ASN HB2 H 2.845 0.020 . 816 98 98 ASN HB3 H 2.575 0.020 . 817 98 98 ASN HD21 H 6.894 0.020 . 818 98 98 ASN HD22 H 7.635 0.020 . 819 98 98 ASN C C 174.107 0.200 . 820 98 98 ASN CA C 50.569 0.200 . 821 98 98 ASN CB C 36.432 0.200 . 822 98 98 ASN N N 124.782 0.200 . 823 98 98 ASN ND2 N 112.902 0.200 . 824 99 99 ASP H H 8.403 0.020 . 825 99 99 ASP HA H 4.547 0.020 . 826 99 99 ASP HB2 H 2.656 0.020 . 827 99 99 ASP HB3 H 2.580 0.020 . 828 99 99 ASP C C 176.065 0.200 . 829 99 99 ASP CA C 51.290 0.200 . 830 99 99 ASP CB C 38.472 0.200 . 831 99 99 ASP N N 121.706 0.200 . 832 100 100 LEU H H 8.222 0.020 . 833 100 100 LEU HA H 4.348 0.020 . 834 100 100 LEU HB2 H 1.626 0.020 . 835 100 100 LEU HB3 H 1.527 0.020 . 836 100 100 LEU HG H 1.575 0.020 . 837 100 100 LEU HD1 H 0.835 0.020 . 838 100 100 LEU HD2 H 0.901 0.020 . 839 100 100 LEU C C 177.314 0.200 . 840 100 100 LEU CA C 52.389 0.200 . 841 100 100 LEU CB C 39.415 0.200 . 842 100 100 LEU CG C 24.225 0.200 . 843 100 100 LEU CD1 C 20.695 0.200 . 844 100 100 LEU CD2 C 22.327 0.200 . 845 100 100 LEU N N 122.757 0.200 . 846 101 101 THR H H 8.087 0.020 . 847 101 101 THR HA H 4.247 0.020 . 848 101 101 THR HB H 4.157 0.020 . 849 101 101 THR HG2 H 1.125 0.020 . 850 101 101 THR C C 173.309 0.200 . 851 101 101 THR CA C 59.116 0.200 . 852 101 101 THR CB C 67.267 0.200 . 853 101 101 THR CG2 C 18.746 0.200 . 854 101 101 THR N N 114.883 0.200 . 855 102 102 PHE H H 7.765 0.020 . 856 102 102 PHE HA H 4.436 0.020 . 857 102 102 PHE HB2 H 3.137 0.020 . 858 102 102 PHE HB3 H 2.958 0.020 . 859 102 102 PHE HD1 H 7.228 0.020 . 860 102 102 PHE HD2 H 7.228 0.020 . 861 102 102 PHE CA C 56.358 0.200 . 862 102 102 PHE CB C 37.609 0.200 . 863 102 102 PHE N N 127.060 0.200 . stop_ save_