data_11414 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of C2H2 type Zinc finger domain 345 in Zinc finger protein 278 ; _BMRB_accession_number 11414 _BMRB_flat_file_name bmr11414.str _Entry_type original _Submission_date 2010-09-09 _Accession_date 2010-09-09 _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 Kasahara N. . . 2 Tsuda K. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 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" 519 "13C chemical shifts" 376 "15N chemical shifts" 83 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-08 original author . stop_ _Original_release_date 2011-09-08 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of C2H2 type Zinc finger domain 345 in Zinc finger protein 278 ; _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 Kasahara N. . . 2 Tsuda K. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 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-containing protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C2H2 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 domain' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 95 _Mol_residue_sequence ; GSSGSSGVACEICGKIFRDV YHLNRHKLSHSGEKPYSCPV CGLRFKRKDRMSYHVRSHDG SVGKPYICQSCGKGFSRPDH LNGHIKQVHSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 VAL 9 ALA 10 CYS 11 GLU 12 ILE 13 CYS 14 GLY 15 LYS 16 ILE 17 PHE 18 ARG 19 ASP 20 VAL 21 TYR 22 HIS 23 LEU 24 ASN 25 ARG 26 HIS 27 LYS 28 LEU 29 SER 30 HIS 31 SER 32 GLY 33 GLU 34 LYS 35 PRO 36 TYR 37 SER 38 CYS 39 PRO 40 VAL 41 CYS 42 GLY 43 LEU 44 ARG 45 PHE 46 LYS 47 ARG 48 LYS 49 ASP 50 ARG 51 MET 52 SER 53 TYR 54 HIS 55 VAL 56 ARG 57 SER 58 HIS 59 ASP 60 GLY 61 SER 62 VAL 63 GLY 64 LYS 65 PRO 66 TYR 67 ILE 68 CYS 69 GLN 70 SER 71 CYS 72 GLY 73 LYS 74 GLY 75 PHE 76 SER 77 ARG 78 PRO 79 ASP 80 HIS 81 LEU 82 ASN 83 GLY 84 HIS 85 ILE 86 LYS 87 GLN 88 VAL 89 HIS 90 SER 91 GLY 92 PRO 93 SER 94 SER 95 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-23 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 2YT9 "Solution Structure Of C2h2 Type Zinc Finger Domain 345 In Zinc Finger Protein 278" 100.00 95 100.00 100.00 5.18e-60 DBJ BAE38619 "unnamed protein product [Mus musculus]" 87.37 537 98.80 100.00 4.88e-51 DBJ BAF84492 "unnamed protein product [Homo sapiens]" 87.37 537 98.80 100.00 6.39e-51 GB AAF32518 "PATZ [Homo sapiens]" 87.37 537 97.59 100.00 1.97e-50 GB AAF99602 "krueppel-related zinc finger protein SBZF5 [Homo sapiens]" 73.68 424 100.00 100.00 1.93e-41 GB AAG09031 "zinc finger sarcoma gene short isoform [Homo sapiens]" 87.37 537 98.80 100.00 6.52e-51 GB AAG09035 "EWS/ZSG fusion protein short isoform [Homo sapiens]" 87.37 609 98.80 100.00 3.12e-52 GB AAH21091 "POZ (BTB) and AT hook containing zinc finger 1 [Homo sapiens]" 87.37 537 98.80 100.00 6.52e-51 REF NP_001240620 "POZ-, AT hook-, and zinc finger-containing protein 1 isoform 3 [Mus musculus]" 87.37 516 98.80 100.00 6.62e-51 REF NP_001264144 "POZ-, AT hook-, and zinc finger-containing protein 1 isoform 3 [Rattus norvegicus]" 87.37 537 98.80 100.00 5.65e-51 REF NP_114440 "POZ-, AT hook-, and zinc finger-containing protein 1 short isoform [Homo sapiens]" 87.37 537 98.80 100.00 6.52e-51 REF XP_001927041 "PREDICTED: POZ-, AT hook-, and zinc finger-containing protein 1 [Sus scrofa]" 87.37 537 98.80 100.00 4.74e-51 REF XP_003317256 "PREDICTED: POZ-, AT hook-, and zinc finger-containing protein 1 isoform X4 [Pan troglodytes]" 87.37 537 98.80 100.00 6.66e-51 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 P060718-20 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 20mM d-Tris-HCl (pH7.0), 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 0.05mM ZnCl2+1mM IDA, 90% H2O,10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 . mM . 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' 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 20060702 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 'Jonson B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9820 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 'Gutert 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_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 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 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'C2H2 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 4.578 0.030 1 2 6 6 SER HB2 H 3.891 0.030 1 3 6 6 SER HB3 H 3.891 0.030 1 4 6 6 SER C C 174.187 0.300 1 5 6 6 SER CA C 58.331 0.300 1 6 6 6 SER CB C 64.146 0.300 1 7 7 7 GLY H H 8.126 0.030 1 8 7 7 GLY HA2 H 4.038 0.030 1 9 7 7 GLY HA3 H 4.038 0.030 1 10 7 7 GLY C C 172.940 0.300 1 11 7 7 GLY CA C 44.867 0.300 1 12 7 7 GLY N N 110.142 0.300 1 13 8 8 VAL H H 8.735 0.030 1 14 8 8 VAL HA H 4.528 0.030 1 15 8 8 VAL HB H 2.036 0.030 1 16 8 8 VAL HG1 H 0.890 0.030 1 17 8 8 VAL HG2 H 0.807 0.030 1 18 8 8 VAL C C 173.841 0.300 1 19 8 8 VAL CA C 60.166 0.300 1 20 8 8 VAL CB C 34.078 0.300 1 21 8 8 VAL CG1 C 22.057 0.300 2 22 8 8 VAL CG2 C 20.482 0.300 2 23 8 8 VAL N N 117.161 0.300 1 24 9 9 ALA H H 8.497 0.030 1 25 9 9 ALA HA H 5.126 0.030 1 26 9 9 ALA HB H 1.186 0.030 1 27 9 9 ALA C C 177.419 0.300 1 28 9 9 ALA CA C 50.505 0.300 1 29 9 9 ALA CB C 21.036 0.300 1 30 9 9 ALA N N 126.674 0.300 1 31 10 10 CYS H H 9.115 0.030 1 32 10 10 CYS HA H 4.398 0.030 1 33 10 10 CYS HB2 H 2.894 0.030 2 34 10 10 CYS HB3 H 3.434 0.030 2 35 10 10 CYS C C 177.414 0.300 1 36 10 10 CYS CA C 60.100 0.300 1 37 10 10 CYS CB C 30.054 0.300 1 38 10 10 CYS N N 123.087 0.300 1 39 11 11 GLU H H 10.234 0.030 1 40 11 11 GLU HA H 4.268 0.030 1 41 11 11 GLU HB2 H 2.142 0.030 2 42 11 11 GLU HB3 H 2.209 0.030 2 43 11 11 GLU HG2 H 2.363 0.030 2 44 11 11 GLU HG3 H 2.469 0.030 2 45 11 11 GLU C C 176.493 0.300 1 46 11 11 GLU CA C 59.006 0.300 1 47 11 11 GLU CB C 28.778 0.300 1 48 11 11 GLU CG C 35.939 0.300 1 49 11 11 GLU N N 106.245 0.300 1 50 12 12 ILE H H 8.932 0.030 1 51 12 12 ILE HA H 3.955 0.030 1 52 12 12 ILE HB H 1.308 0.030 1 53 12 12 ILE HD1 H 0.717 0.030 1 54 12 12 ILE HG12 H 1.405 0.030 2 55 12 12 ILE HG13 H 1.087 0.030 2 56 12 12 ILE HG2 H 0.283 0.030 1 57 12 12 ILE C C 174.666 0.300 1 58 12 12 ILE CA C 63.459 0.300 1 59 12 12 ILE CB C 38.194 0.300 1 60 12 12 ILE CD1 C 12.617 0.300 1 61 12 12 ILE CG1 C 28.349 0.300 1 62 12 12 ILE CG2 C 16.396 0.300 1 63 12 12 ILE N N 122.572 0.300 1 64 13 13 CYS H H 8.146 0.030 1 65 13 13 CYS HA H 5.208 0.030 1 66 13 13 CYS HB2 H 2.914 0.030 2 67 13 13 CYS HB3 H 3.536 0.030 2 68 13 13 CYS CA C 58.389 0.300 1 69 13 13 CYS CB C 32.867 0.300 1 70 13 13 CYS N N 116.098 0.300 1 71 14 14 GLY H H 8.286 0.030 1 72 14 14 GLY HA2 H 4.259 0.030 2 73 14 14 GLY HA3 H 3.869 0.030 2 74 14 14 GLY C C 173.693 0.300 1 75 14 14 GLY CA C 46.316 0.300 1 76 14 14 GLY N N 113.792 0.300 1 77 15 15 LYS H H 7.923 0.030 1 78 15 15 LYS HA H 4.077 0.030 1 79 15 15 LYS HB2 H 1.576 0.030 2 80 15 15 LYS HB3 H 1.420 0.030 2 81 15 15 LYS HD2 H 1.657 0.030 2 82 15 15 LYS HD3 H 1.588 0.030 2 83 15 15 LYS HE2 H 3.025 0.030 1 84 15 15 LYS HE3 H 3.025 0.030 1 85 15 15 LYS HG2 H 1.217 0.030 2 86 15 15 LYS HG3 H 1.585 0.030 2 87 15 15 LYS C C 174.102 0.300 1 88 15 15 LYS CA C 58.085 0.300 1 89 15 15 LYS CB C 33.996 0.300 1 90 15 15 LYS CD C 29.439 0.300 1 91 15 15 LYS CE C 42.378 0.300 1 92 15 15 LYS CG C 26.512 0.300 1 93 15 15 LYS N N 122.367 0.300 1 94 16 16 ILE H H 7.788 0.030 1 95 16 16 ILE HA H 4.365 0.030 1 96 16 16 ILE HB H 1.508 0.030 1 97 16 16 ILE HD1 H 0.741 0.030 1 98 16 16 ILE HG12 H 1.511 0.030 2 99 16 16 ILE HG13 H 1.033 0.030 2 100 16 16 ILE HG2 H 0.693 0.030 1 101 16 16 ILE C C 175.476 0.300 1 102 16 16 ILE CA C 60.245 0.300 1 103 16 16 ILE CB C 38.833 0.300 1 104 16 16 ILE CD1 C 12.028 0.300 1 105 16 16 ILE CG1 C 27.854 0.300 1 106 16 16 ILE CG2 C 17.856 0.300 1 107 16 16 ILE N N 120.569 0.300 1 108 17 17 PHE H H 8.909 0.030 1 109 17 17 PHE HA H 4.530 0.030 1 110 17 17 PHE HB2 H 2.649 0.030 2 111 17 17 PHE HB3 H 3.161 0.030 2 112 17 17 PHE HD1 H 7.136 0.030 1 113 17 17 PHE HD2 H 7.136 0.030 1 114 17 17 PHE HE1 H 6.747 0.030 1 115 17 17 PHE HE2 H 6.747 0.030 1 116 17 17 PHE HZ H 6.159 0.030 1 117 17 17 PHE C C 175.860 0.300 1 118 17 17 PHE CA C 57.295 0.300 1 119 17 17 PHE CB C 43.407 0.300 1 120 17 17 PHE CD1 C 131.745 0.300 1 121 17 17 PHE CD2 C 131.745 0.300 1 122 17 17 PHE CE1 C 130.816 0.300 1 123 17 17 PHE CE2 C 130.816 0.300 1 124 17 17 PHE CZ C 128.330 0.300 1 125 17 17 PHE N N 124.847 0.300 1 126 18 18 ARG H H 9.106 0.030 1 127 18 18 ARG HA H 4.131 0.030 1 128 18 18 ARG HB2 H 1.690 0.030 2 129 18 18 ARG HB3 H 1.807 0.030 2 130 18 18 ARG HD2 H 3.074 0.030 1 131 18 18 ARG HD3 H 3.074 0.030 1 132 18 18 ARG HG2 H 1.652 0.030 2 133 18 18 ARG HG3 H 1.563 0.030 2 134 18 18 ARG C C 175.810 0.300 1 135 18 18 ARG CA C 58.709 0.300 1 136 18 18 ARG CB C 30.997 0.300 1 137 18 18 ARG CD C 43.322 0.300 1 138 18 18 ARG CG C 26.775 0.300 1 139 18 18 ARG N N 118.537 0.300 1 140 19 19 ASP H H 7.535 0.030 1 141 19 19 ASP HA H 4.704 0.030 1 142 19 19 ASP HB2 H 3.153 0.030 1 143 19 19 ASP HB3 H 3.153 0.030 1 144 19 19 ASP C C 175.924 0.300 1 145 19 19 ASP CA C 52.735 0.300 1 146 19 19 ASP CB C 42.810 0.300 1 147 19 19 ASP N N 110.966 0.300 1 148 20 20 VAL H H 8.578 0.030 1 149 20 20 VAL HA H 3.818 0.030 1 150 20 20 VAL HB H 2.100 0.030 1 151 20 20 VAL HG1 H 1.016 0.030 1 152 20 20 VAL HG2 H 0.903 0.030 1 153 20 20 VAL C C 176.033 0.300 1 154 20 20 VAL CA C 65.520 0.300 1 155 20 20 VAL CB C 31.946 0.300 1 156 20 20 VAL CG1 C 21.757 0.300 2 157 20 20 VAL CG2 C 20.796 0.300 2 158 20 20 VAL N N 118.036 0.300 1 159 21 21 TYR H H 8.020 0.030 1 160 21 21 TYR HA H 4.244 0.030 1 161 21 21 TYR HB2 H 3.083 0.030 2 162 21 21 TYR HB3 H 3.160 0.030 2 163 21 21 TYR HD1 H 6.889 0.030 1 164 21 21 TYR HD2 H 6.889 0.030 1 165 21 21 TYR HE1 H 6.752 0.030 1 166 21 21 TYR HE2 H 6.752 0.030 1 167 21 21 TYR C C 179.172 0.300 1 168 21 21 TYR CA C 61.440 0.300 1 169 21 21 TYR CB C 37.260 0.300 1 170 21 21 TYR CD1 C 132.970 0.300 1 171 21 21 TYR CD2 C 132.970 0.300 1 172 21 21 TYR CE1 C 118.179 0.300 1 173 21 21 TYR CE2 C 118.179 0.300 1 174 21 21 TYR N N 122.935 0.300 1 175 22 22 HIS H H 8.677 0.030 1 176 22 22 HIS HA H 4.106 0.030 1 177 22 22 HIS HB2 H 3.281 0.030 2 178 22 22 HIS HB3 H 3.492 0.030 2 179 22 22 HIS HE1 H 7.995 0.030 1 180 22 22 HIS C C 178.801 0.300 1 181 22 22 HIS CA C 60.734 0.300 1 182 22 22 HIS CB C 30.558 0.300 1 183 22 22 HIS CE1 C 138.905 0.300 1 184 22 22 HIS N N 118.623 0.300 1 185 23 23 LEU H H 8.196 0.030 1 186 23 23 LEU HA H 3.371 0.030 1 187 23 23 LEU HB2 H 2.044 0.030 2 188 23 23 LEU HB3 H 1.408 0.030 2 189 23 23 LEU HD1 H 0.997 0.030 1 190 23 23 LEU HD2 H 0.990 0.030 1 191 23 23 LEU HG H 1.530 0.030 1 192 23 23 LEU C C 177.694 0.300 1 193 23 23 LEU CA C 58.140 0.300 1 194 23 23 LEU CB C 41.269 0.300 1 195 23 23 LEU CD1 C 26.334 0.300 2 196 23 23 LEU CD2 C 23.118 0.300 2 197 23 23 LEU CG C 27.442 0.300 1 198 23 23 LEU N N 122.722 0.300 1 199 24 24 ASN H H 8.881 0.030 1 200 24 24 ASN HA H 4.344 0.030 1 201 24 24 ASN HB2 H 2.935 0.030 2 202 24 24 ASN HB3 H 2.720 0.030 2 203 24 24 ASN HD21 H 6.841 0.030 2 204 24 24 ASN HD22 H 7.497 0.030 2 205 24 24 ASN C C 178.549 0.300 1 206 24 24 ASN CA C 56.637 0.300 1 207 24 24 ASN CB C 37.134 0.300 1 208 24 24 ASN N N 119.084 0.300 1 209 24 24 ASN ND2 N 110.599 0.300 1 210 25 25 ARG H H 7.409 0.030 1 211 25 25 ARG HA H 4.027 0.030 1 212 25 25 ARG HB2 H 1.736 0.030 2 213 25 25 ARG HB3 H 1.844 0.030 2 214 25 25 ARG HD2 H 3.069 0.030 1 215 25 25 ARG HD3 H 3.069 0.030 1 216 25 25 ARG HE H 6.741 0.030 1 217 25 25 ARG HG2 H 1.615 0.030 2 218 25 25 ARG HG3 H 1.514 0.030 2 219 25 25 ARG C C 178.986 0.300 1 220 25 25 ARG CA C 58.996 0.300 1 221 25 25 ARG CB C 29.877 0.300 1 222 25 25 ARG CD C 43.099 0.300 1 223 25 25 ARG CG C 27.064 0.300 1 224 25 25 ARG N N 119.266 0.300 1 225 26 26 HIS H H 7.634 0.030 1 226 26 26 HIS HA H 4.271 0.030 1 227 26 26 HIS HB2 H 2.655 0.030 2 228 26 26 HIS HB3 H 2.981 0.030 2 229 26 26 HIS HD2 H 6.714 0.030 1 230 26 26 HIS HE1 H 7.962 0.030 1 231 26 26 HIS C C 178.143 0.300 1 232 26 26 HIS CA C 58.764 0.300 1 233 26 26 HIS CB C 27.443 0.300 1 234 26 26 HIS CD2 C 127.406 0.300 1 235 26 26 HIS CE1 C 139.080 0.300 1 236 26 26 HIS N N 119.823 0.300 1 237 27 27 LYS H H 8.670 0.030 1 238 27 27 LYS HA H 3.567 0.030 1 239 27 27 LYS HB2 H 1.980 0.030 1 240 27 27 LYS HB3 H 1.980 0.030 1 241 27 27 LYS HD2 H 1.730 0.030 1 242 27 27 LYS HD3 H 1.730 0.030 1 243 27 27 LYS HE2 H 3.171 0.030 2 244 27 27 LYS HE3 H 3.023 0.030 2 245 27 27 LYS HG2 H 1.772 0.030 2 246 27 27 LYS HG3 H 1.968 0.030 2 247 27 27 LYS C C 178.247 0.300 1 248 27 27 LYS CA C 60.620 0.300 1 249 27 27 LYS CB C 32.152 0.300 1 250 27 27 LYS CD C 29.858 0.300 1 251 27 27 LYS CE C 41.886 0.300 1 252 27 27 LYS CG C 27.126 0.300 1 253 27 27 LYS N N 120.304 0.300 1 254 28 28 LEU H H 7.095 0.030 1 255 28 28 LEU HA H 4.120 0.030 1 256 28 28 LEU HB2 H 1.797 0.030 2 257 28 28 LEU HB3 H 1.561 0.030 2 258 28 28 LEU HD1 H 0.967 0.030 1 259 28 28 LEU HD2 H 0.881 0.030 1 260 28 28 LEU HG H 1.864 0.030 1 261 28 28 LEU C C 179.036 0.300 1 262 28 28 LEU CA C 57.396 0.300 1 263 28 28 LEU CB C 41.343 0.300 1 264 28 28 LEU CD1 C 25.156 0.300 2 265 28 28 LEU CD2 C 22.654 0.300 2 266 28 28 LEU CG C 26.734 0.300 1 267 28 28 LEU N N 118.989 0.300 1 268 29 29 SER H H 7.908 0.030 1 269 29 29 SER HA H 4.210 0.030 1 270 29 29 SER HB2 H 3.722 0.030 2 271 29 29 SER HB3 H 3.823 0.030 2 272 29 29 SER C C 174.980 0.300 1 273 29 29 SER CA C 60.604 0.300 1 274 29 29 SER CB C 63.288 0.300 1 275 29 29 SER N N 114.008 0.300 1 276 30 30 HIS H H 7.301 0.030 1 277 30 30 HIS HA H 4.974 0.030 1 278 30 30 HIS HB2 H 3.142 0.030 2 279 30 30 HIS HB3 H 3.323 0.030 2 280 30 30 HIS HD2 H 6.498 0.030 1 281 30 30 HIS HE1 H 8.118 0.030 1 282 30 30 HIS CA C 55.168 0.300 1 283 30 30 HIS CB C 28.801 0.300 1 284 30 30 HIS CD2 C 126.957 0.300 1 285 30 30 HIS CE1 C 140.306 0.300 1 286 30 30 HIS N N 118.870 0.300 1 287 32 32 GLY H H 8.749 0.030 1 288 32 32 GLY HA2 H 4.041 0.030 1 289 32 32 GLY HA3 H 4.041 0.030 1 290 32 32 GLY C C 174.080 0.300 1 291 32 32 GLY CA C 45.386 0.300 1 292 33 33 GLU H H 7.993 0.030 1 293 33 33 GLU HA H 4.209 0.030 1 294 33 33 GLU HB2 H 2.023 0.030 1 295 33 33 GLU HB3 H 2.023 0.030 1 296 33 33 GLU HG2 H 2.267 0.030 2 297 33 33 GLU HG3 H 2.310 0.030 2 298 33 33 GLU C C 176.312 0.300 1 299 33 33 GLU CA C 57.131 0.300 1 300 33 33 GLU CB C 30.544 0.300 1 301 33 33 GLU CG C 36.406 0.300 1 302 33 33 GLU N N 119.901 0.300 1 303 34 34 LYS H H 8.258 0.030 1 304 34 34 LYS HA H 4.604 0.030 1 305 34 34 LYS HB2 H 1.700 0.030 2 306 34 34 LYS HB3 H 1.471 0.030 2 307 34 34 LYS HD2 H 1.510 0.030 1 308 34 34 LYS HD3 H 1.510 0.030 1 309 34 34 LYS HE2 H 2.926 0.030 1 310 34 34 LYS HE3 H 2.926 0.030 1 311 34 34 LYS HG2 H 1.171 0.030 2 312 34 34 LYS HG3 H 1.398 0.030 2 313 34 34 LYS C C 173.967 0.300 1 314 34 34 LYS CA C 53.841 0.300 1 315 34 34 LYS CB C 33.821 0.300 1 316 34 34 LYS CD C 29.963 0.300 1 317 34 34 LYS CE C 42.380 0.300 1 318 34 34 LYS CG C 25.374 0.300 1 319 34 34 LYS N N 120.460 0.300 1 320 35 35 PRO HA H 4.302 0.030 1 321 35 35 PRO HB2 H 1.172 0.030 2 322 35 35 PRO HB3 H 2.070 0.030 2 323 35 35 PRO HD2 H 3.736 0.030 1 324 35 35 PRO HD3 H 3.736 0.030 1 325 35 35 PRO HG2 H 1.812 0.030 2 326 35 35 PRO HG3 H 1.545 0.030 2 327 35 35 PRO C C 176.319 0.300 1 328 35 35 PRO CA C 63.758 0.300 1 329 35 35 PRO CB C 32.551 0.300 1 330 35 35 PRO CD C 50.646 0.300 1 331 35 35 PRO CG C 26.566 0.300 1 332 36 36 TYR H H 7.766 0.030 1 333 36 36 TYR HA H 4.852 0.030 1 334 36 36 TYR HB2 H 3.256 0.030 2 335 36 36 TYR HB3 H 2.769 0.030 2 336 36 36 TYR HD1 H 7.019 0.030 1 337 36 36 TYR HD2 H 7.019 0.030 1 338 36 36 TYR HE1 H 6.930 0.030 1 339 36 36 TYR HE2 H 6.930 0.030 1 340 36 36 TYR C C 174.968 0.300 1 341 36 36 TYR CA C 57.002 0.300 1 342 36 36 TYR CB C 39.671 0.300 1 343 36 36 TYR CD1 C 133.101 0.300 1 344 36 36 TYR CD2 C 133.101 0.300 1 345 36 36 TYR CE1 C 118.497 0.300 1 346 36 36 TYR CE2 C 118.497 0.300 1 347 36 36 TYR N N 117.739 0.300 1 348 37 37 SER H H 8.739 0.030 1 349 37 37 SER HA H 5.342 0.030 1 350 37 37 SER HB2 H 3.579 0.030 2 351 37 37 SER HB3 H 3.627 0.030 2 352 37 37 SER C C 173.066 0.300 1 353 37 37 SER CA C 56.372 0.300 1 354 37 37 SER CB C 65.660 0.300 1 355 37 37 SER N N 116.801 0.300 1 356 38 38 CYS H H 9.323 0.030 1 357 38 38 CYS HA H 4.855 0.030 1 358 38 38 CYS HB2 H 3.103 0.030 2 359 38 38 CYS HB3 H 3.502 0.030 2 360 38 38 CYS C C 176.377 0.300 1 361 38 38 CYS CA C 57.326 0.300 1 362 38 38 CYS CB C 30.811 0.300 1 363 38 38 CYS N N 127.390 0.300 1 364 39 39 PRO HA H 4.545 0.030 1 365 39 39 PRO HB2 H 2.445 0.030 2 366 39 39 PRO HB3 H 2.101 0.030 2 367 39 39 PRO HD2 H 4.221 0.030 2 368 39 39 PRO HD3 H 4.299 0.030 2 369 39 39 PRO HG2 H 2.085 0.030 2 370 39 39 PRO HG3 H 2.244 0.030 2 371 39 39 PRO C C 176.460 0.300 1 372 39 39 PRO CA C 64.409 0.300 1 373 39 39 PRO CB C 32.414 0.300 1 374 39 39 PRO CD C 51.824 0.300 1 375 39 39 PRO CG C 26.996 0.300 1 376 40 40 VAL H H 8.935 0.030 1 377 40 40 VAL HA H 3.862 0.030 1 378 40 40 VAL HB H 1.303 0.030 1 379 40 40 VAL HG1 H 0.806 0.030 1 380 40 40 VAL HG2 H 0.318 0.030 1 381 40 40 VAL C C 176.881 0.300 1 382 40 40 VAL CA C 64.835 0.300 1 383 40 40 VAL CB C 33.110 0.300 1 384 40 40 VAL CG1 C 21.141 0.300 2 385 40 40 VAL CG2 C 20.027 0.300 2 386 40 40 VAL N N 121.723 0.300 1 387 41 41 CYS H H 8.409 0.030 1 388 41 41 CYS HA H 5.174 0.030 1 389 41 41 CYS HB2 H 3.490 0.030 2 390 41 41 CYS HB3 H 2.736 0.030 2 391 41 41 CYS C C 176.608 0.300 1 392 41 41 CYS CA C 58.453 0.300 1 393 41 41 CYS CB C 32.949 0.300 1 394 41 41 CYS N N 116.885 0.300 1 395 42 42 GLY H H 8.120 0.030 1 396 42 42 GLY HA2 H 4.258 0.030 2 397 42 42 GLY HA3 H 3.873 0.030 2 398 42 42 GLY C C 173.659 0.300 1 399 42 42 GLY CA C 46.294 0.300 1 400 42 42 GLY N N 112.835 0.300 1 401 43 43 LEU H H 8.020 0.030 1 402 43 43 LEU HA H 4.060 0.030 1 403 43 43 LEU HB2 H 1.128 0.030 2 404 43 43 LEU HB3 H 1.478 0.030 2 405 43 43 LEU HD1 H 0.564 0.030 1 406 43 43 LEU HD2 H 0.779 0.030 1 407 43 43 LEU HG H 1.341 0.030 1 408 43 43 LEU C C 175.504 0.300 1 409 43 43 LEU CA C 56.841 0.300 1 410 43 43 LEU CB C 43.527 0.300 1 411 43 43 LEU CD1 C 24.797 0.300 2 412 43 43 LEU CD2 C 23.867 0.300 2 413 43 43 LEU CG C 26.460 0.300 1 414 43 43 LEU N N 124.664 0.300 1 415 44 44 ARG H H 7.801 0.030 1 416 44 44 ARG HA H 5.214 0.030 1 417 44 44 ARG HB2 H 1.829 0.030 2 418 44 44 ARG HB3 H 1.577 0.030 2 419 44 44 ARG HD2 H 3.182 0.030 2 420 44 44 ARG HD3 H 3.273 0.030 2 421 44 44 ARG HG2 H 1.476 0.030 2 422 44 44 ARG HG3 H 1.861 0.030 2 423 44 44 ARG C C 176.025 0.300 1 424 44 44 ARG CA C 55.393 0.300 1 425 44 44 ARG CB C 32.861 0.300 1 426 44 44 ARG CD C 43.353 0.300 1 427 44 44 ARG CG C 28.359 0.300 1 428 44 44 ARG N N 121.043 0.300 1 429 45 45 PHE H H 8.888 0.030 1 430 45 45 PHE HA H 4.695 0.030 1 431 45 45 PHE HB2 H 2.605 0.030 2 432 45 45 PHE HB3 H 3.512 0.030 2 433 45 45 PHE HD1 H 7.291 0.030 1 434 45 45 PHE HD2 H 7.291 0.030 1 435 45 45 PHE HE1 H 6.943 0.030 1 436 45 45 PHE HE2 H 6.943 0.030 1 437 45 45 PHE HZ H 6.559 0.030 1 438 45 45 PHE C C 174.780 0.300 1 439 45 45 PHE CA C 57.438 0.300 1 440 45 45 PHE CB C 44.086 0.300 1 441 45 45 PHE CD1 C 132.316 0.300 1 442 45 45 PHE CD2 C 132.316 0.300 1 443 45 45 PHE CE1 C 130.706 0.300 1 444 45 45 PHE CE2 C 130.706 0.300 1 445 45 45 PHE CZ C 129.441 0.300 1 446 45 45 PHE N N 117.283 0.300 1 447 46 46 LYS H H 7.767 0.030 1 448 46 46 LYS HA H 4.627 0.030 1 449 46 46 LYS HB2 H 2.148 0.030 2 450 46 46 LYS HB3 H 2.092 0.030 2 451 46 46 LYS HD2 H 1.836 0.030 1 452 46 46 LYS HD3 H 1.836 0.030 1 453 46 46 LYS HE2 H 3.082 0.030 1 454 46 46 LYS HE3 H 3.082 0.030 1 455 46 46 LYS HG2 H 1.651 0.030 2 456 46 46 LYS HG3 H 1.690 0.030 2 457 46 46 LYS CA C 58.722 0.300 1 458 46 46 LYS CB C 34.179 0.300 1 459 46 46 LYS CD C 29.460 0.300 1 460 46 46 LYS CE C 42.077 0.300 1 461 46 46 LYS CG C 25.870 0.300 1 462 46 46 LYS N N 126.016 0.300 1 463 47 47 ARG H H 7.979 0.030 1 464 47 47 ARG HA H 4.844 0.030 1 465 47 47 ARG HB2 H 2.373 0.030 2 466 47 47 ARG HB3 H 1.835 0.030 2 467 47 47 ARG HD2 H 3.476 0.030 2 468 47 47 ARG HD3 H 3.248 0.030 2 469 47 47 ARG HG2 H 1.800 0.030 1 470 47 47 ARG HG3 H 1.800 0.030 1 471 47 47 ARG CA C 54.559 0.300 1 472 47 47 ARG CB C 33.879 0.300 1 473 47 47 ARG CD C 43.849 0.300 1 474 47 47 ARG CG C 27.387 0.300 1 475 47 47 ARG N N 116.392 0.300 1 476 48 48 LYS H H 8.617 0.030 1 477 48 48 LYS HA H 3.094 0.030 1 478 48 48 LYS HB2 H 1.440 0.030 2 479 48 48 LYS HB3 H 1.090 0.030 2 480 48 48 LYS HD2 H 1.487 0.030 1 481 48 48 LYS HD3 H 1.487 0.030 1 482 48 48 LYS HE2 H 2.879 0.030 1 483 48 48 LYS HE3 H 2.879 0.030 1 484 48 48 LYS HG2 H 0.920 0.030 2 485 48 48 LYS HG3 H 1.099 0.030 2 486 48 48 LYS CA C 59.518 0.300 1 487 48 48 LYS CB C 32.113 0.300 1 488 48 48 LYS CD C 29.330 0.300 1 489 48 48 LYS CE C 42.059 0.300 1 490 48 48 LYS CG C 25.162 0.300 1 491 48 48 LYS N N 125.681 0.300 1 492 49 49 ASP H H 7.914 0.030 1 493 49 49 ASP HA H 4.180 0.030 1 494 49 49 ASP HB2 H 2.629 0.030 2 495 49 49 ASP HB3 H 2.781 0.030 2 496 49 49 ASP C C 178.726 0.300 1 497 49 49 ASP CA C 56.457 0.300 1 498 49 49 ASP CB C 38.460 0.300 1 499 49 49 ASP N N 119.625 0.300 1 500 50 50 ARG H H 7.483 0.030 1 501 50 50 ARG HA H 4.073 0.030 1 502 50 50 ARG HB2 H 2.051 0.030 2 503 50 50 ARG HB3 H 2.115 0.030 2 504 50 50 ARG HD2 H 3.390 0.030 1 505 50 50 ARG HD3 H 3.390 0.030 1 506 50 50 ARG HG2 H 1.959 0.030 2 507 50 50 ARG HG3 H 1.741 0.030 2 508 50 50 ARG C C 178.650 0.300 1 509 50 50 ARG CA C 58.083 0.300 1 510 50 50 ARG CB C 29.777 0.300 1 511 50 50 ARG CD C 42.990 0.300 1 512 50 50 ARG CG C 27.509 0.300 1 513 50 50 ARG N N 121.159 0.300 1 514 51 51 MET H H 7.297 0.030 1 515 51 51 MET HA H 2.425 0.030 1 516 51 51 MET HB2 H 2.255 0.030 2 517 51 51 MET HB3 H 2.187 0.030 2 518 51 51 MET HE H 2.106 0.030 1 519 51 51 MET HG2 H 1.520 0.030 2 520 51 51 MET HG3 H 2.107 0.030 2 521 51 51 MET C C 177.327 0.300 1 522 51 51 MET CA C 59.161 0.300 1 523 51 51 MET CB C 31.561 0.300 1 524 51 51 MET CE C 17.691 0.300 1 525 51 51 MET CG C 31.455 0.300 1 526 51 51 MET N N 121.157 0.300 1 527 52 52 SER H H 8.393 0.030 1 528 52 52 SER HA H 4.058 0.030 1 529 52 52 SER HB2 H 3.875 0.030 1 530 52 52 SER HB3 H 3.875 0.030 1 531 52 52 SER C C 176.579 0.300 1 532 52 52 SER CA C 62.144 0.300 1 533 52 52 SER CB C 62.552 0.300 1 534 52 52 SER N N 115.413 0.300 1 535 53 53 TYR H H 7.647 0.030 1 536 53 53 TYR HA H 4.188 0.030 1 537 53 53 TYR HB2 H 3.074 0.030 1 538 53 53 TYR HB3 H 3.074 0.030 1 539 53 53 TYR HD1 H 7.133 0.030 1 540 53 53 TYR HD2 H 7.133 0.030 1 541 53 53 TYR HE1 H 6.821 0.030 1 542 53 53 TYR HE2 H 6.821 0.030 1 543 53 53 TYR C C 178.154 0.300 1 544 53 53 TYR CA C 60.904 0.300 1 545 53 53 TYR CB C 38.083 0.300 1 546 53 53 TYR CD1 C 132.955 0.300 1 547 53 53 TYR CD2 C 132.955 0.300 1 548 53 53 TYR CE1 C 118.182 0.300 1 549 53 53 TYR CE2 C 118.182 0.300 1 550 53 53 TYR N N 121.125 0.300 1 551 54 54 HIS H H 7.719 0.030 1 552 54 54 HIS HA H 4.249 0.030 1 553 54 54 HIS HB2 H 3.279 0.030 2 554 54 54 HIS HB3 H 3.324 0.030 2 555 54 54 HIS HD2 H 7.147 0.030 1 556 54 54 HIS HE1 H 7.930 0.030 1 557 54 54 HIS C C 178.479 0.300 1 558 54 54 HIS CA C 59.698 0.300 1 559 54 54 HIS CB C 28.416 0.300 1 560 54 54 HIS CD2 C 127.831 0.300 1 561 54 54 HIS CE1 C 139.889 0.300 1 562 54 54 HIS N N 118.745 0.300 1 563 55 55 VAL H H 8.835 0.030 1 564 55 55 VAL HA H 3.659 0.030 1 565 55 55 VAL HB H 2.299 0.030 1 566 55 55 VAL HG1 H 1.550 0.030 1 567 55 55 VAL HG2 H 1.172 0.030 1 568 55 55 VAL C C 178.255 0.300 1 569 55 55 VAL CA C 67.039 0.300 1 570 55 55 VAL CB C 31.922 0.300 1 571 55 55 VAL CG1 C 23.856 0.300 2 572 55 55 VAL CG2 C 21.630 0.300 2 573 55 55 VAL N N 121.882 0.300 1 574 56 56 ARG H H 7.189 0.030 1 575 56 56 ARG HA H 4.137 0.030 1 576 56 56 ARG HB2 H 1.892 0.030 2 577 56 56 ARG HB3 H 1.803 0.030 2 578 56 56 ARG HD2 H 3.168 0.030 1 579 56 56 ARG HD3 H 3.168 0.030 1 580 56 56 ARG HG2 H 1.791 0.030 2 581 56 56 ARG HG3 H 1.716 0.030 2 582 56 56 ARG C C 177.823 0.300 1 583 56 56 ARG CA C 58.133 0.300 1 584 56 56 ARG CB C 29.861 0.300 1 585 56 56 ARG CD C 43.549 0.300 1 586 56 56 ARG CG C 27.096 0.300 1 587 56 56 ARG N N 118.067 0.300 1 588 57 57 SER H H 7.692 0.030 1 589 57 57 SER HA H 4.160 0.030 1 590 57 57 SER HB2 H 3.776 0.030 1 591 57 57 SER HB3 H 3.776 0.030 1 592 57 57 SER C C 175.176 0.300 1 593 57 57 SER CA C 60.725 0.300 1 594 57 57 SER CB C 63.077 0.300 1 595 57 57 SER N N 114.924 0.300 1 596 58 58 HIS H H 7.311 0.030 1 597 58 58 HIS HA H 4.685 0.030 1 598 58 58 HIS HB2 H 3.342 0.030 2 599 58 58 HIS HB3 H 3.278 0.030 2 600 58 58 HIS HD2 H 6.748 0.030 1 601 58 58 HIS HE1 H 8.130 0.030 1 602 58 58 HIS C C 175.191 0.300 1 603 58 58 HIS CA C 56.328 0.300 1 604 58 58 HIS CB C 28.391 0.300 1 605 58 58 HIS CD2 C 127.565 0.300 1 606 58 58 HIS CE1 C 140.312 0.300 1 607 58 58 HIS N N 118.969 0.300 1 608 59 59 ASP H H 7.832 0.030 1 609 59 59 ASP HA H 4.606 0.030 1 610 59 59 ASP HB2 H 2.785 0.030 1 611 59 59 ASP HB3 H 2.785 0.030 1 612 59 59 ASP C C 176.945 0.300 1 613 59 59 ASP CA C 55.157 0.300 1 614 59 59 ASP CB C 41.104 0.300 1 615 59 59 ASP N N 120.411 0.300 1 616 60 60 GLY H H 8.383 0.030 1 617 60 60 GLY HA2 H 4.016 0.030 1 618 60 60 GLY HA3 H 4.016 0.030 1 619 60 60 GLY C C 175.736 0.300 1 620 60 60 GLY CA C 45.688 0.300 1 621 60 60 GLY N N 109.717 0.300 1 622 61 61 SER H H 8.254 0.030 1 623 61 61 SER HA H 4.472 0.030 1 624 61 61 SER HB2 H 4.007 0.030 1 625 61 61 SER HB3 H 4.007 0.030 1 626 61 61 SER C C 174.658 0.300 1 627 61 61 SER CA C 58.763 0.300 1 628 61 61 SER CB C 64.018 0.300 1 629 61 61 SER N N 115.827 0.300 1 630 62 62 VAL H H 7.976 0.030 1 631 62 62 VAL HA H 4.122 0.030 1 632 62 62 VAL HB H 2.130 0.030 1 633 62 62 VAL HG1 H 0.951 0.030 1 634 62 62 VAL HG2 H 0.963 0.030 1 635 62 62 VAL C C 176.687 0.300 1 636 62 62 VAL CA C 62.724 0.300 1 637 62 62 VAL CB C 32.570 0.300 1 638 62 62 VAL CG1 C 21.150 0.300 2 639 62 62 VAL CG2 C 20.631 0.300 2 640 62 62 VAL N N 120.864 0.300 1 641 63 63 GLY H H 8.418 0.030 1 642 63 63 GLY HA2 H 3.927 0.030 1 643 63 63 GLY HA3 H 3.927 0.030 1 644 63 63 GLY C C 176.634 0.300 1 645 63 63 GLY CA C 45.387 0.300 1 646 63 63 GLY N N 111.814 0.300 1 647 64 64 LYS H H 7.972 0.030 1 648 64 64 LYS HA H 4.515 0.030 1 649 64 64 LYS HB2 H 1.549 0.030 2 650 64 64 LYS HB3 H 1.445 0.030 2 651 64 64 LYS HD2 H 1.433 0.030 2 652 64 64 LYS HD3 H 1.536 0.030 2 653 64 64 LYS HE2 H 2.930 0.030 1 654 64 64 LYS HE3 H 2.930 0.030 1 655 64 64 LYS HG2 H 1.305 0.030 2 656 64 64 LYS HG3 H 1.160 0.030 2 657 64 64 LYS CA C 53.643 0.300 1 658 64 64 LYS CB C 32.706 0.300 1 659 64 64 LYS CD C 29.362 0.300 1 660 64 64 LYS CE C 42.380 0.300 1 661 64 64 LYS CG C 24.812 0.300 1 662 64 64 LYS N N 120.532 0.300 1 663 65 65 PRO HA H 4.330 0.030 1 664 65 65 PRO HB2 H 2.032 0.030 2 665 65 65 PRO HB3 H 1.376 0.030 2 666 65 65 PRO HD2 H 3.666 0.030 1 667 65 65 PRO HD3 H 3.666 0.030 1 668 65 65 PRO HG2 H 1.643 0.030 2 669 65 65 PRO HG3 H 1.898 0.030 2 670 65 65 PRO C C 176.319 0.300 1 671 65 65 PRO CA C 63.542 0.300 1 672 65 65 PRO CB C 32.101 0.300 1 673 65 65 PRO CD C 49.908 0.300 1 674 65 65 PRO CG C 26.652 0.300 1 675 66 66 TYR H H 7.863 0.030 1 676 66 66 TYR HA H 4.609 0.030 1 677 66 66 TYR HB2 H 2.836 0.030 2 678 66 66 TYR HB3 H 2.946 0.030 2 679 66 66 TYR HD1 H 7.061 0.030 1 680 66 66 TYR HD2 H 7.061 0.030 1 681 66 66 TYR HE1 H 6.885 0.030 1 682 66 66 TYR HE2 H 6.885 0.030 1 683 66 66 TYR C C 174.395 0.300 1 684 66 66 TYR CA C 57.790 0.300 1 685 66 66 TYR CB C 37.899 0.300 1 686 66 66 TYR CD1 C 133.165 0.300 1 687 66 66 TYR CD2 C 133.165 0.300 1 688 66 66 TYR CE1 C 118.198 0.300 1 689 66 66 TYR CE2 C 118.198 0.300 1 690 66 66 TYR N N 118.987 0.300 1 691 67 67 ILE H H 8.364 0.030 1 692 67 67 ILE HA H 4.639 0.030 1 693 67 67 ILE HB H 1.719 0.030 1 694 67 67 ILE HD1 H 0.757 0.030 1 695 67 67 ILE HG12 H 1.388 0.030 2 696 67 67 ILE HG13 H 1.103 0.030 2 697 67 67 ILE HG2 H 0.692 0.030 1 698 67 67 ILE C C 175.769 0.300 1 699 67 67 ILE CA C 59.508 0.300 1 700 67 67 ILE CB C 39.924 0.300 1 701 67 67 ILE CD1 C 12.112 0.300 1 702 67 67 ILE CG1 C 27.571 0.300 1 703 67 67 ILE CG2 C 17.128 0.300 1 704 67 67 ILE N N 125.275 0.300 1 705 68 68 CYS H H 9.197 0.030 1 706 68 68 CYS HA H 4.546 0.030 1 707 68 68 CYS HB2 H 2.919 0.030 2 708 68 68 CYS HB3 H 3.401 0.030 2 709 68 68 CYS C C 177.432 0.300 1 710 68 68 CYS CA C 60.026 0.300 1 711 68 68 CYS CB C 29.478 0.300 1 712 68 68 CYS N N 129.505 0.300 1 713 69 69 GLN H H 9.614 0.030 1 714 69 69 GLN HA H 4.183 0.030 1 715 69 69 GLN HB2 H 2.147 0.030 2 716 69 69 GLN HB3 H 2.281 0.030 2 717 69 69 GLN HE21 H 6.918 0.030 2 718 69 69 GLN HE22 H 7.457 0.030 2 719 69 69 GLN HG2 H 2.560 0.030 1 720 69 69 GLN HG3 H 2.560 0.030 1 721 69 69 GLN CA C 57.846 0.300 1 722 69 69 GLN CB C 28.609 0.300 1 723 69 69 GLN CG C 34.176 0.300 1 724 69 69 GLN N N 131.719 0.300 1 725 69 69 GLN NE2 N 112.690 0.300 1 726 70 70 SER H H 8.786 0.030 1 727 70 70 SER HA H 4.446 0.030 1 728 70 70 SER HB2 H 3.182 0.030 2 729 70 70 SER HB3 H 2.821 0.030 2 730 70 70 SER C C 174.796 0.300 1 731 70 70 SER CA C 61.331 0.300 1 732 70 70 SER CB C 62.208 0.300 1 733 70 70 SER N N 116.261 0.300 1 734 71 71 CYS H H 8.136 0.030 1 735 71 71 CYS HA H 5.238 0.030 1 736 71 71 CYS HB2 H 3.477 0.030 2 737 71 71 CYS HB3 H 2.986 0.030 2 738 71 71 CYS C C 175.895 0.300 1 739 71 71 CYS CA C 58.849 0.300 1 740 71 71 CYS CB C 32.735 0.300 1 741 71 71 CYS N N 117.248 0.300 1 742 72 72 GLY H H 8.277 0.030 1 743 72 72 GLY HA2 H 4.208 0.030 2 744 72 72 GLY HA3 H 3.725 0.030 2 745 72 72 GLY C C 173.537 0.300 1 746 72 72 GLY CA C 46.234 0.300 1 747 72 72 GLY N N 113.578 0.300 1 748 73 73 LYS H H 7.935 0.030 1 749 73 73 LYS HA H 4.014 0.030 1 750 73 73 LYS HB2 H 1.533 0.030 2 751 73 73 LYS HB3 H 1.303 0.030 2 752 73 73 LYS HD2 H 1.506 0.030 2 753 73 73 LYS HD3 H 1.540 0.030 2 754 73 73 LYS HE2 H 2.988 0.030 2 755 73 73 LYS HE3 H 3.057 0.030 2 756 73 73 LYS HG2 H 1.088 0.030 2 757 73 73 LYS HG3 H 1.440 0.030 2 758 73 73 LYS C C 174.587 0.300 1 759 73 73 LYS CA C 58.100 0.300 1 760 73 73 LYS CB C 33.873 0.300 1 761 73 73 LYS CD C 29.364 0.300 1 762 73 73 LYS CE C 42.259 0.300 1 763 73 73 LYS CG C 26.179 0.300 1 764 73 73 LYS N N 122.938 0.300 1 765 74 74 GLY H H 7.974 0.030 1 766 74 74 GLY HA2 H 4.983 0.030 2 767 74 74 GLY HA3 H 3.318 0.030 2 768 74 74 GLY C C 172.537 0.300 1 769 74 74 GLY CA C 44.228 0.300 1 770 74 74 GLY N N 108.490 0.300 1 771 75 75 PHE H H 8.819 0.030 1 772 75 75 PHE HA H 4.855 0.030 1 773 75 75 PHE HB2 H 2.902 0.030 2 774 75 75 PHE HB3 H 3.512 0.030 2 775 75 75 PHE HD1 H 7.390 0.030 1 776 75 75 PHE HD2 H 7.390 0.030 1 777 75 75 PHE HE1 H 6.863 0.030 1 778 75 75 PHE HE2 H 6.863 0.030 1 779 75 75 PHE HZ H 6.220 0.030 1 780 75 75 PHE C C 175.536 0.300 1 781 75 75 PHE CA C 57.292 0.300 1 782 75 75 PHE CB C 43.874 0.300 1 783 75 75 PHE CD1 C 132.499 0.300 1 784 75 75 PHE CD2 C 132.499 0.300 1 785 75 75 PHE CE1 C 130.748 0.300 1 786 75 75 PHE CE2 C 130.748 0.300 1 787 75 75 PHE CZ C 128.563 0.300 1 788 75 75 PHE N N 117.852 0.300 1 789 76 76 SER HA H 4.797 0.030 1 790 76 76 SER HB2 H 4.181 0.030 2 791 76 76 SER HB3 H 4.131 0.030 2 792 76 76 SER CA C 60.259 0.300 1 793 76 76 SER CB C 64.596 0.300 1 794 77 77 ARG H H 7.226 0.030 1 795 77 77 ARG HA H 4.822 0.030 1 796 77 77 ARG HB2 H 0.947 0.030 2 797 77 77 ARG HB3 H 1.941 0.030 2 798 77 77 ARG HD2 H 2.869 0.030 2 799 77 77 ARG HD3 H 3.155 0.030 2 800 77 77 ARG HG2 H 1.418 0.030 2 801 77 77 ARG HG3 H 1.597 0.030 2 802 77 77 ARG CA C 52.752 0.300 1 803 77 77 ARG CB C 33.540 0.300 1 804 77 77 ARG CD C 43.524 0.300 1 805 77 77 ARG CG C 26.416 0.300 1 806 77 77 ARG N N 117.146 0.300 1 807 78 78 PRO HA H 3.543 0.030 1 808 78 78 PRO HB2 H 1.833 0.030 1 809 78 78 PRO HB3 H 1.833 0.030 1 810 78 78 PRO HD2 H 3.120 0.030 2 811 78 78 PRO HD3 H 3.610 0.030 2 812 78 78 PRO HG2 H 1.606 0.030 2 813 78 78 PRO HG3 H 1.960 0.030 2 814 78 78 PRO C C 178.147 0.300 1 815 78 78 PRO CA C 64.572 0.300 1 816 78 78 PRO CB C 31.193 0.300 1 817 78 78 PRO CD C 50.219 0.300 1 818 78 78 PRO CG C 26.582 0.300 1 819 79 79 ASP H H 8.669 0.030 1 820 79 79 ASP HA H 4.356 0.030 1 821 79 79 ASP HB2 H 2.568 0.030 2 822 79 79 ASP HB3 H 2.745 0.030 2 823 79 79 ASP C C 179.427 0.300 1 824 79 79 ASP CA C 56.181 0.300 1 825 79 79 ASP CB C 38.363 0.300 1 826 79 79 ASP N N 116.049 0.300 1 827 80 80 HIS H H 7.070 0.030 1 828 80 80 HIS HA H 4.572 0.030 1 829 80 80 HIS HB2 H 3.351 0.030 1 830 80 80 HIS HB3 H 3.351 0.030 1 831 80 80 HIS HD2 H 6.929 0.030 1 832 80 80 HIS HE1 H 7.825 0.030 1 833 80 80 HIS C C 178.215 0.300 1 834 80 80 HIS CA C 56.928 0.300 1 835 80 80 HIS CB C 31.878 0.300 1 836 80 80 HIS CD2 C 116.601 0.300 1 837 80 80 HIS CE1 C 139.025 0.300 1 838 80 80 HIS N N 121.036 0.300 1 839 81 81 LEU H H 6.914 0.030 1 840 81 81 LEU HA H 3.249 0.030 1 841 81 81 LEU HB2 H 1.963 0.030 2 842 81 81 LEU HB3 H 1.322 0.030 2 843 81 81 LEU HD1 H 1.102 0.030 1 844 81 81 LEU HD2 H 1.069 0.030 1 845 81 81 LEU HG H 1.643 0.030 1 846 81 81 LEU C C 177.226 0.300 1 847 81 81 LEU CA C 57.975 0.300 1 848 81 81 LEU CB C 40.135 0.300 1 849 81 81 LEU CD1 C 22.651 0.300 2 850 81 81 LEU CD2 C 26.477 0.300 2 851 81 81 LEU CG C 27.623 0.300 1 852 81 81 LEU N N 121.011 0.300 1 853 82 82 ASN H H 8.239 0.030 1 854 82 82 ASN HA H 4.410 0.030 1 855 82 82 ASN HB2 H 2.787 0.030 1 856 82 82 ASN HB3 H 2.787 0.030 1 857 82 82 ASN HD21 H 7.599 0.030 2 858 82 82 ASN HD22 H 6.876 0.030 2 859 82 82 ASN C C 178.348 0.300 1 860 82 82 ASN CA C 56.773 0.300 1 861 82 82 ASN CB C 37.997 0.300 1 862 82 82 ASN N N 117.792 0.300 1 863 82 82 ASN ND2 N 112.132 0.300 1 864 83 83 GLY H H 8.175 0.030 1 865 83 83 GLY HA2 H 3.845 0.030 2 866 83 83 GLY HA3 H 3.938 0.030 2 867 83 83 GLY C C 175.392 0.300 1 868 83 83 GLY CA C 47.173 0.300 1 869 83 83 GLY N N 107.077 0.300 1 870 84 84 HIS H H 7.550 0.030 1 871 84 84 HIS HA H 4.363 0.030 1 872 84 84 HIS HB2 H 2.882 0.030 2 873 84 84 HIS HB3 H 3.325 0.030 2 874 84 84 HIS HD2 H 7.204 0.030 1 875 84 84 HIS HE1 H 8.102 0.030 1 876 84 84 HIS C C 176.325 0.300 1 877 84 84 HIS CA C 59.438 0.300 1 878 84 84 HIS CB C 28.410 0.300 1 879 84 84 HIS CD2 C 127.876 0.300 1 880 84 84 HIS CE1 C 139.409 0.300 1 881 84 84 HIS N N 121.965 0.300 1 882 85 85 ILE H H 8.527 0.030 1 883 85 85 ILE HA H 3.453 0.030 1 884 85 85 ILE HB H 1.977 0.030 1 885 85 85 ILE HD1 H 1.126 0.030 1 886 85 85 ILE HG12 H 2.168 0.030 2 887 85 85 ILE HG13 H 1.464 0.030 2 888 85 85 ILE HG2 H 1.015 0.030 1 889 85 85 ILE C C 178.865 0.300 1 890 85 85 ILE CA C 66.696 0.300 1 891 85 85 ILE CB C 38.501 0.300 1 892 85 85 ILE CD1 C 14.227 0.300 1 893 85 85 ILE CG1 C 30.565 0.300 1 894 85 85 ILE CG2 C 17.381 0.300 1 895 85 85 ILE N N 120.350 0.300 1 896 86 86 LYS H H 7.658 0.030 1 897 86 86 LYS HA H 4.010 0.030 1 898 86 86 LYS HB2 H 1.911 0.030 1 899 86 86 LYS HB3 H 1.911 0.030 1 900 86 86 LYS HD2 H 1.685 0.030 1 901 86 86 LYS HD3 H 1.685 0.030 1 902 86 86 LYS HE2 H 2.930 0.030 1 903 86 86 LYS HE3 H 2.930 0.030 1 904 86 86 LYS HG2 H 1.453 0.030 2 905 86 86 LYS HG3 H 1.535 0.030 2 906 86 86 LYS C C 177.959 0.300 1 907 86 86 LYS CA C 58.856 0.300 1 908 86 86 LYS CB C 32.553 0.300 1 909 86 86 LYS CD C 29.075 0.300 1 910 86 86 LYS CE C 42.381 0.300 1 911 86 86 LYS CG C 24.995 0.300 1 912 86 86 LYS N N 118.146 0.300 1 913 87 87 GLN H H 7.887 0.030 1 914 87 87 GLN HA H 4.118 0.030 1 915 87 87 GLN HB2 H 2.116 0.030 2 916 87 87 GLN HB3 H 2.080 0.030 2 917 87 87 GLN HE21 H 7.378 0.030 2 918 87 87 GLN HE22 H 6.808 0.030 2 919 87 87 GLN HG2 H 2.342 0.030 2 920 87 87 GLN HG3 H 2.472 0.030 2 921 87 87 GLN C C 177.859 0.300 1 922 87 87 GLN CA C 58.376 0.300 1 923 87 87 GLN CB C 29.776 0.300 1 924 87 87 GLN CG C 33.983 0.300 1 925 87 87 GLN N N 116.269 0.300 1 926 87 87 GLN NE2 N 111.599 0.300 1 927 88 88 VAL H H 8.201 0.030 1 928 88 88 VAL HA H 4.016 0.030 1 929 88 88 VAL HB H 0.991 0.030 1 930 88 88 VAL HG1 H 0.460 0.030 1 931 88 88 VAL HG2 H 0.562 0.030 1 932 88 88 VAL C C 176.305 0.300 1 933 88 88 VAL CA C 63.597 0.300 1 934 88 88 VAL CB C 33.273 0.300 1 935 88 88 VAL CG1 C 21.358 0.300 2 936 88 88 VAL CG2 C 21.786 0.300 2 937 88 88 VAL N N 114.275 0.300 1 938 89 89 HIS H H 7.546 0.030 1 939 89 89 HIS HA H 5.278 0.030 1 940 89 89 HIS HB2 H 3.200 0.030 2 941 89 89 HIS HB3 H 3.482 0.030 2 942 89 89 HIS HD2 H 6.669 0.030 1 943 89 89 HIS HE1 H 8.043 0.030 1 944 89 89 HIS C C 175.090 0.300 1 945 89 89 HIS CA C 53.992 0.300 1 946 89 89 HIS CB C 29.121 0.300 1 947 89 89 HIS CD2 C 127.867 0.300 1 948 89 89 HIS CE1 C 139.689 0.300 1 949 89 89 HIS N N 116.289 0.300 1 950 90 90 SER H H 7.880 0.030 1 951 90 90 SER HA H 4.631 0.030 1 952 90 90 SER HB2 H 4.005 0.030 1 953 90 90 SER HB3 H 4.005 0.030 1 954 90 90 SER C C 174.464 0.300 1 955 90 90 SER CA C 58.909 0.300 1 956 90 90 SER CB C 64.008 0.300 1 957 90 90 SER N N 114.728 0.300 1 958 91 91 GLY H H 8.276 0.030 1 959 91 91 GLY HA2 H 4.183 0.030 2 960 91 91 GLY HA3 H 4.110 0.030 2 961 91 91 GLY C C 171.871 0.300 1 962 91 91 GLY CA C 44.725 0.300 1 963 91 91 GLY N N 110.512 0.300 1 964 92 92 PRO HA H 4.509 0.030 1 965 92 92 PRO HB2 H 2.329 0.030 2 966 92 92 PRO HB3 H 2.020 0.030 2 967 92 92 PRO HD2 H 3.665 0.030 1 968 92 92 PRO HD3 H 3.665 0.030 1 969 92 92 PRO HG2 H 2.055 0.030 2 970 92 92 PRO HG3 H 1.810 0.030 2 971 92 92 PRO CA C 63.406 0.300 1 972 92 92 PRO CB C 32.233 0.300 1 973 92 92 PRO CD C 49.918 0.300 1 974 92 92 PRO CG C 27.182 0.300 1 975 94 94 SER CA C 58.477 0.300 1 976 94 94 SER CB C 64.069 0.300 1 977 95 95 GLY H H 8.041 0.030 1 978 95 95 GLY N N 116.893 0.300 1 stop_ save_