data_6682 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of a Human C2H2-type Zinc Finger Protein ; _BMRB_accession_number 6682 _BMRB_flat_file_name bmr6682.str _Entry_type original _Submission_date 2005-06-09 _Accession_date 2005-09-30 _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 Lytle B. L. . 2 Peterson F. C. . 3 Volkman B. F. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 356 "13C chemical shifts" 278 "15N chemical shifts" 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-07-27 update BMRB 'added time domain data' 2008-07-01 update BMRB 'update entry citation' 2005-07-27 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The solution structure of ZNF593 from Homo sapiens reveals a zinc finger in a predominantly unstructured protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18287285 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hayes P. L. . 2 Lytle B. L. . 3 Volkman B. F. . 4 Peterson F. C. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 17 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 571 _Page_last 576 _Year 2008 _Details . loop_ _Keyword 'zinc finger' 'DNA binding' 'Structural Genomics' PSI 'Protein Structure Initiative' 'Center for Eukaryotic Structural Genomics' CESG stop_ save_ ################################## # Molecular system description # ################################## save_system_ZNF593 _Saveframe_category molecular_system _Mol_system_name 'Zinc finger protein 593' _Abbreviation_common ZNF593 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Zinc finger protein 593' $Zinc_finger_protein_593 'ZINC ION' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all other bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Zinc_finger_protein_593 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Zinc finger protein 593' _Abbreviation_common ZNF593 _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; GHHHHHHLEKAKRRRPDLDE IHRELRPQGSARPQPDPNAE FDPDLPGGGLHRCLACARYF IDSTNLKTHFRSKDHKKRLK QLSVEPYSQEEAERAAGMGS YVPPRRLAVPTEVSTEVPEM DTST ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -7 GLY 2 -6 HIS 3 -5 HIS 4 -4 HIS 5 -3 HIS 6 -2 HIS 7 -1 HIS 8 0 LEU 9 1 GLU 10 2 LYS 11 3 ALA 12 4 LYS 13 5 ARG 14 6 ARG 15 7 ARG 16 8 PRO 17 9 ASP 18 10 LEU 19 11 ASP 20 12 GLU 21 13 ILE 22 14 HIS 23 15 ARG 24 16 GLU 25 17 LEU 26 18 ARG 27 19 PRO 28 20 GLN 29 21 GLY 30 22 SER 31 23 ALA 32 24 ARG 33 25 PRO 34 26 GLN 35 27 PRO 36 28 ASP 37 29 PRO 38 30 ASN 39 31 ALA 40 32 GLU 41 33 PHE 42 34 ASP 43 35 PRO 44 36 ASP 45 37 LEU 46 38 PRO 47 39 GLY 48 40 GLY 49 41 GLY 50 42 LEU 51 43 HIS 52 44 ARG 53 45 CYS 54 46 LEU 55 47 ALA 56 48 CYS 57 49 ALA 58 50 ARG 59 51 TYR 60 52 PHE 61 53 ILE 62 54 ASP 63 55 SER 64 56 THR 65 57 ASN 66 58 LEU 67 59 LYS 68 60 THR 69 61 HIS 70 62 PHE 71 63 ARG 72 64 SER 73 65 LYS 74 66 ASP 75 67 HIS 76 68 LYS 77 69 LYS 78 70 ARG 79 71 LEU 80 72 LYS 81 73 GLN 82 74 LEU 83 75 SER 84 76 VAL 85 77 GLU 86 78 PRO 87 79 TYR 88 80 SER 89 81 GLN 90 82 GLU 91 83 GLU 92 84 ALA 93 85 GLU 94 86 ARG 95 87 ALA 96 88 ALA 97 89 GLY 98 90 MET 99 91 GLY 100 92 SER 101 93 TYR 102 94 VAL 103 95 PRO 104 96 PRO 105 97 ARG 106 98 ARG 107 99 LEU 108 100 ALA 109 101 VAL 110 102 PRO 111 103 THR 112 104 GLU 113 105 VAL 114 106 SER 115 107 THR 116 108 GLU 117 109 VAL 118 110 PRO 119 111 GLU 120 112 MET 121 113 ASP 122 114 THR 123 115 SER 124 116 THR stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 SWISS-PROT O00488 'Zinc finger protein 593 (Zinc finger protein T86)' 92.74 116 100.00 100.00 3.61e-61 GenBank ABZ92327 'zinc finger protein 593 [synthetic construct]' 92.74 116 100.00 100.00 3.61e-61 GenBank AAH19267 'Zinc finger protein 593 [Homo sapiens]' 92.74 116 100.00 100.00 3.61e-61 GenBank AAH02580 'Zinc finger protein 593 [Homo sapiens]' 92.74 116 100.00 100.00 3.61e-61 DBJ BAG34867 'unnamed protein product [Homo sapiens]' 92.74 116 100.00 100.00 3.61e-61 DBJ BAA20369 'zinc finger protein [Homo sapiens]' 92.74 116 100.00 100.00 3.61e-61 PDB 1ZR9 'Solution Structure Of A Human C2h2-Type Zinc Finger Protein' 100.00 124 100.00 100.00 1.23e-66 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 Aug 9 10:10:13 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 $Zinc_finger_protein_593 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 _Details $Zinc_finger_protein_593 'cell free synthesis' . . . . . 'Wheat germ cell-free expression system.' 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 $Zinc_finger_protein_593 0.6 mM '[U-15N; U-13C]' 'Bis Tris' 10 mM . NaCl 100 mM . DTT 2 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Task collection stop_ _Details 'Bruker Biospin' save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2004 loop_ _Task processing stop_ _Details 'F. Delaglio' save_ save_SPSCAN _Saveframe_category software _Name SPSCAN _Version 1.1.0 loop_ _Task 'data analysis' stop_ _Details 'R.W. Glaser' save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3 loop_ _Task 'data analysis' stop_ _Details 'C. Bartels' save_ save_GARANT _Saveframe_category software _Name GARANT _Version 2.1 loop_ _Task 'data analysis' stop_ _Details 'C. Bartels' save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.6 loop_ _Task 'structure solution' stop_ _Details 'T. Herrmann, P. Guentert, K. Wuethrich' save_ save_XPLOR-NIH _Saveframe_category software _Name XPLOR-NIH _Version 2.0.6 loop_ _Task refinement stop_ _Details 'G. Marius Clore' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label $sample_1 save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label $sample_1 save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label $sample_1 save_ save_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _Sample_label $sample_1 save_ save_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label $sample_1 save_ save_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_(aliph)_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY (aliph)' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_(AROMATIC)_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY (AROMATIC)' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_7 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY (aliph)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY (AROMATIC)' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . pH temperature 298 . K 'ionic strength' 100 . mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H 1 'methyl protons' ppm 0.0 . direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Zinc finger protein 593' _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 . 36 ASP N N 122.5 0.15 1 2 . 36 ASP H H 8.46 0.02 1 3 . 36 ASP CA C 52.3 0.15 1 4 . 36 ASP HA H 4.88 0.02 1 5 . 36 ASP CB C 41.7 0.15 1 6 . 36 ASP HB2 H 2.81 0.02 2 7 . 36 ASP HB3 H 2.60 0.02 2 8 . 37 PRO CD C 51.7 0.15 1 9 . 37 PRO CA C 63.8 0.15 1 10 . 37 PRO HA H 4.43 0.02 1 11 . 37 PRO CB C 32.1 0.15 1 12 . 37 PRO HB2 H 2.32 0.02 2 13 . 37 PRO HB3 H 1.98 0.02 2 14 . 37 PRO CG C 27.1 0.15 1 15 . 37 PRO HG2 H 2.03 0.02 2 16 . 37 PRO HG3 H 1.91 0.02 2 17 . 37 PRO HD2 H 3.86 0.02 1 18 . 37 PRO HD3 H 3.86 0.02 1 19 . 37 PRO C C 177.3 0.15 1 20 . 38 ASN N N 117.2 0.15 1 21 . 38 ASN H H 8.51 0.02 1 22 . 38 ASN CA C 53.7 0.15 1 23 . 38 ASN HA H 4.73 0.02 1 24 . 38 ASN CB C 39.4 0.15 1 25 . 38 ASN HB2 H 2.89 0.02 2 26 . 38 ASN HB3 H 2.78 0.02 2 27 . 38 ASN ND2 N 114.1 0.15 1 28 . 38 ASN HD21 H 7.80 0.02 2 29 . 38 ASN HD22 H 6.96 0.02 2 30 . 38 ASN C C 175.2 0.15 1 31 . 39 ALA N N 123.9 0.15 1 32 . 39 ALA H H 7.86 0.02 1 33 . 39 ALA CA C 52.9 0.15 1 34 . 39 ALA HA H 4.30 0.02 1 35 . 39 ALA HB H 1.42 0.02 1 36 . 39 ALA CB C 19.6 0.15 1 37 . 39 ALA C C 177.5 0.15 1 38 . 40 GLU N N 119.4 0.15 1 39 . 40 GLU H H 8.20 0.02 1 40 . 40 GLU CA C 56.6 0.15 1 41 . 40 GLU HA H 4.29 0.02 1 42 . 40 GLU CB C 30.7 0.15 1 43 . 40 GLU HB2 H 1.90 0.02 2 44 . 40 GLU HB3 H 1.99 0.02 2 45 . 40 GLU CG C 36.5 0.15 1 46 . 40 GLU HG3 H 2.18 0.02 2 47 . 40 GLU C C 175.8 0.15 1 48 . 41 PHE N N 121.8 0.15 1 49 . 41 PHE H H 8.10 0.02 1 50 . 41 PHE CA C 58.0 0.15 1 51 . 41 PHE HA H 4.45 0.02 1 52 . 41 PHE CB C 40.5 0.15 1 53 . 41 PHE HB3 H 3.05 0.02 2 54 . 41 PHE HD1 H 7.16 0.02 1 55 . 41 PHE HD2 H 7.16 0.02 1 56 . 41 PHE HE1 H 7.30 0.02 1 57 . 41 PHE HE2 H 7.30 0.02 1 58 . 41 PHE CD1 C 132.1 0.15 1 59 . 41 PHE CE1 C 131.8 0.15 1 60 . 41 PHE CZ C 131.0 0.15 1 61 . 41 PHE HZ H 7.29 0.02 1 62 . 41 PHE C C 174.5 0.15 1 63 . 42 ASP N N 126.9 0.15 1 64 . 42 ASP H H 8.12 0.02 1 65 . 42 ASP CA C 51.0 0.15 1 66 . 42 ASP HA H 4.88 0.02 1 67 . 42 ASP CB C 42.0 0.15 1 68 . 42 ASP HB2 H 2.61 0.02 2 69 . 42 ASP HB3 H 2.39 0.02 2 70 . 42 ASP C C 174.3 0.15 1 71 . 43 PRO CD C 51.0 0.15 1 72 . 43 PRO CA C 64.1 0.15 1 73 . 43 PRO HA H 4.27 0.02 1 74 . 43 PRO CB C 32.5 0.15 1 75 . 43 PRO HB2 H 2.35 0.02 2 76 . 43 PRO HB3 H 2.03 0.02 2 77 . 43 PRO CG C 27.4 0.15 1 78 . 43 PRO HG2 H 1.94 0.02 2 79 . 43 PRO HG3 H 2.02 0.02 2 80 . 43 PRO HD2 H 3.84 0.02 2 81 . 43 PRO HD3 H 3.68 0.02 2 82 . 43 PRO C C 176.9 0.15 1 83 . 44 ASP N N 118.5 0.15 1 84 . 44 ASP H H 8.31 0.02 1 85 . 44 ASP CA C 54.8 0.15 1 86 . 44 ASP HA H 4.63 0.02 1 87 . 44 ASP CB C 41.2 0.15 1 88 . 44 ASP HB2 H 2.74 0.02 2 89 . 44 ASP HB3 H 2.55 0.02 2 90 . 44 ASP C C 176.0 0.15 1 91 . 45 LEU N N 121.5 0.15 1 92 . 45 LEU H H 7.51 0.02 1 93 . 45 LEU CA C 52.5 0.15 1 94 . 45 LEU HA H 4.55 0.02 1 95 . 45 LEU CB C 42.8 0.15 1 96 . 45 LEU HB2 H 0.87 0.02 2 97 . 45 LEU HB3 H 1.25 0.02 2 98 . 45 LEU CG C 26.5 0.15 1 99 . 45 LEU HG H 1.31 0.02 1 100 . 45 LEU HD1 H 0.58 0.02 2 101 . 45 LEU HD2 H 0.64 0.02 2 102 . 45 LEU CD1 C 23.1 0.15 1 103 . 45 LEU CD2 C 25.7 0.15 1 104 . 45 LEU C C 174.9 0.15 1 105 . 46 PRO CD C 50.7 0.15 1 106 . 46 PRO CA C 63.8 0.15 1 107 . 46 PRO HA H 4.39 0.02 1 108 . 46 PRO CB C 32.2 0.15 1 109 . 46 PRO HB2 H 1.63 0.02 2 110 . 46 PRO HB3 H 2.24 0.02 2 111 . 46 PRO CG C 27.9 0.15 1 112 . 46 PRO HG3 H 2.04 0.02 2 113 . 46 PRO HD2 H 3.78 0.02 2 114 . 46 PRO HD3 H 3.20 0.02 2 115 . 46 PRO C C 179.3 0.15 1 116 . 47 GLY N N 114.0 0.15 1 117 . 47 GLY H H 9.31 0.02 1 118 . 47 GLY CA C 47.1 0.15 1 119 . 47 GLY HA2 H 4.08 0.02 2 120 . 47 GLY HA3 H 4.20 0.02 2 121 . 47 GLY C C 175.3 0.15 1 122 . 48 GLY N N 108.7 0.15 1 123 . 48 GLY H H 8.12 0.02 1 124 . 48 GLY CA C 45.9 0.15 1 125 . 48 GLY HA2 H 3.56 0.02 2 126 . 48 GLY HA3 H 3.83 0.02 2 127 . 48 GLY C C 175.3 0.15 1 128 . 49 GLY N N 106.9 0.15 1 129 . 49 GLY H H 7.91 0.02 1 130 . 49 GLY CA C 45.8 0.15 1 131 . 49 GLY HA2 H 3.96 0.02 2 132 . 49 GLY HA3 H 3.65 0.02 2 133 . 49 GLY C C 173.9 0.15 1 134 . 50 LEU N N 118.1 0.15 1 135 . 50 LEU H H 7.29 0.02 1 136 . 50 LEU CA C 55.9 0.15 1 137 . 50 LEU HA H 4.16 0.02 1 138 . 50 LEU CB C 42.6 0.15 1 139 . 50 LEU HB2 H 1.22 0.02 2 140 . 50 LEU HB3 H 1.31 0.02 2 141 . 50 LEU CG C 27.3 0.15 1 142 . 50 LEU HG H 1.58 0.02 1 143 . 50 LEU HD1 H 0.93 0.02 2 144 . 50 LEU HD2 H 0.80 0.02 2 145 . 50 LEU CD1 C 25.7 0.15 1 146 . 50 LEU CD2 C 23.1 0.15 1 147 . 50 LEU C C 176.8 0.15 1 148 . 51 HIS N N 120.0 0.15 1 149 . 51 HIS H H 8.79 0.02 1 150 . 51 HIS CA C 54.7 0.15 1 151 . 51 HIS HA H 4.89 0.02 1 152 . 51 HIS CB C 30.1 0.15 1 153 . 51 HIS HB2 H 3.29 0.02 2 154 . 51 HIS HB3 H 2.70 0.02 2 155 . 51 HIS CD2 C 120.3 0.15 1 156 . 51 HIS CE1 C 138.5 0.15 1 157 . 51 HIS HD2 H 6.94 0.02 1 158 . 51 HIS HE1 H 8.06 0.02 1 159 . 51 HIS C C 173.4 0.15 1 160 . 52 ARG N N 123.4 0.15 1 161 . 52 ARG H H 8.68 0.02 1 162 . 52 ARG CA C 54.7 0.15 1 163 . 52 ARG HA H 5.04 0.02 1 164 . 52 ARG CB C 34.6 0.15 1 165 . 52 ARG HB2 H 1.61 0.02 2 166 . 52 ARG HB3 H 1.44 0.02 2 167 . 52 ARG CG C 26.4 0.15 1 168 . 52 ARG HG2 H 1.26 0.02 2 169 . 52 ARG HG3 H 1.14 0.02 2 170 . 52 ARG CD C 43.9 0.15 1 171 . 52 ARG HD2 H 2.97 0.02 2 172 . 52 ARG HD3 H 3.00 0.02 2 173 . 52 ARG C C 174.4 0.15 1 174 . 53 CYS N N 123.6 0.15 1 175 . 53 CYS H H 8.71 0.02 1 176 . 53 CYS CA C 58.6 0.15 1 177 . 53 CYS HA H 4.99 0.02 1 178 . 53 CYS CB C 31.5 0.15 1 179 . 53 CYS HB2 H 2.93 0.02 2 180 . 53 CYS HB3 H 2.77 0.02 2 181 . 53 CYS C C 177.0 0.15 1 182 . 54 LEU N N 130.4 0.15 1 183 . 54 LEU H H 9.31 0.02 1 184 . 54 LEU CA C 58.0 0.15 1 185 . 54 LEU HA H 4.13 0.02 1 186 . 54 LEU CB C 41.8 0.15 1 187 . 54 LEU HB2 H 1.67 0.02 2 188 . 54 LEU HB3 H 1.86 0.02 2 189 . 54 LEU CG C 27.9 0.15 1 190 . 54 LEU HG H 1.74 0.02 1 191 . 54 LEU HD1 H 0.98 0.02 2 192 . 54 LEU HD2 H 0.88 0.02 2 193 . 54 LEU CD1 C 25.3 0.15 1 194 . 54 LEU CD2 C 23.4 0.15 1 195 . 54 LEU C C 179.2 0.15 1 196 . 55 ALA N N 123.9 0.15 1 197 . 55 ALA H H 8.37 0.02 1 198 . 55 ALA CA C 55.8 0.15 1 199 . 55 ALA HA H 4.14 0.02 1 200 . 55 ALA HB H 1.43 0.02 1 201 . 55 ALA CB C 19.3 0.15 1 202 . 55 ALA C C 179.6 0.15 1 203 . 56 CYS N N 118.0 0.15 1 204 . 56 CYS H H 8.94 0.02 1 205 . 56 CYS CA C 60.5 0.15 1 206 . 56 CYS HA H 4.20 0.02 1 207 . 56 CYS CB C 31.1 0.15 1 208 . 56 CYS HB2 H 2.64 0.02 2 209 . 56 CYS HB3 H 3.25 0.02 2 210 . 56 CYS C C 174.6 0.15 1 211 . 57 ALA N N 122.9 0.15 1 212 . 57 ALA H H 7.96 0.02 1 213 . 57 ALA CA C 52.9 0.15 1 214 . 57 ALA HA H 3.90 0.02 1 215 . 57 ALA HB H 1.40 0.02 1 216 . 57 ALA CB C 16.5 0.15 1 217 . 57 ALA C C 175.7 0.15 1 218 . 58 ARG N N 115.1 0.15 1 219 . 58 ARG H H 7.26 0.02 1 220 . 58 ARG CA C 54.1 0.15 1 221 . 58 ARG HA H 4.52 0.02 1 222 . 58 ARG CB C 36.2 0.15 1 223 . 58 ARG HB2 H 0.96 0.02 2 224 . 58 ARG HB3 H 1.33 0.02 2 225 . 58 ARG CG C 26.7 0.15 1 226 . 58 ARG HG2 H 1.52 0.02 2 227 . 58 ARG HG3 H 1.36 0.02 2 228 . 58 ARG CD C 43.7 0.15 1 229 . 58 ARG HD2 H 2.95 0.02 2 230 . 58 ARG HD3 H 3.18 0.02 2 231 . 58 ARG C C 174.0 0.15 1 232 . 59 TYR N N 120.4 0.15 1 233 . 59 TYR H H 8.34 0.02 1 234 . 59 TYR CA C 57.7 0.15 1 235 . 59 TYR HA H 4.72 0.02 1 236 . 59 TYR CB C 41.1 0.15 1 237 . 59 TYR HB2 H 2.96 0.02 2 238 . 59 TYR HB3 H 2.57 0.02 2 239 . 59 TYR HD1 H 7.03 0.02 1 240 . 59 TYR HD2 H 7.03 0.02 1 241 . 59 TYR HE1 H 6.70 0.02 1 242 . 59 TYR HE2 H 6.70 0.02 1 243 . 59 TYR CD1 C 133.3 0.15 1 244 . 59 TYR CE1 C 118.3 0.15 1 245 . 59 TYR C C 174.6 0.15 1 246 . 60 PHE N N 118.0 0.15 1 247 . 60 PHE H H 8.52 0.02 1 248 . 60 PHE CA C 56.9 0.15 1 249 . 60 PHE HA H 4.72 0.02 1 250 . 60 PHE CB C 43.2 0.15 1 251 . 60 PHE HB2 H 2.56 0.02 2 252 . 60 PHE HB3 H 3.09 0.02 2 253 . 60 PHE HD1 H 7.08 0.02 1 254 . 60 PHE HD2 H 7.08 0.02 1 255 . 60 PHE HE1 H 6.73 0.02 1 256 . 60 PHE HE2 H 6.73 0.02 1 257 . 60 PHE CD1 C 132.3 0.15 1 258 . 60 PHE CE1 C 130.6 0.15 1 259 . 60 PHE CZ C 128.4 0.15 1 260 . 60 PHE HZ H 5.89 0.02 1 261 . 60 PHE C C 176.1 0.15 1 262 . 61 ILE N N 117.1 0.15 1 263 . 61 ILE H H 8.80 0.02 1 264 . 61 ILE CA C 64.0 0.15 1 265 . 61 ILE HA H 3.96 0.02 1 266 . 61 ILE CB C 39.4 0.15 1 267 . 61 ILE HB H 1.99 0.02 1 268 . 61 ILE HG2 H 1.03 0.02 1 269 . 61 ILE CG2 C 18.3 0.15 1 270 . 61 ILE CG1 C 27.6 0.15 1 271 . 61 ILE HG12 H 1.49 0.02 2 272 . 61 ILE HG13 H 1.32 0.02 2 273 . 61 ILE HD1 H 0.94 0.02 1 274 . 61 ILE CD1 C 14.1 0.15 1 275 . 61 ILE C C 174.5 0.15 1 276 . 62 ASP N N 115.0 0.15 1 277 . 62 ASP H H 7.39 0.02 1 278 . 62 ASP CA C 52.6 0.15 1 279 . 62 ASP HA H 4.09 0.02 1 280 . 62 ASP CB C 42.8 0.15 1 281 . 62 ASP HB3 H 2.93 0.02 2 282 . 62 ASP C C 175.3 0.15 1 283 . 63 SER N N 113.7 0.15 1 284 . 63 SER H H 8.33 0.02 1 285 . 63 SER CA C 61.1 0.15 1 286 . 63 SER HA H 3.81 0.02 1 287 . 63 SER CB C 63.3 0.15 1 288 . 63 SER HB2 H 3.91 0.02 2 289 . 63 SER HB3 H 3.78 0.02 2 290 . 63 SER HG H 2.97 0.02 1 291 . 64 THR N N 120.2 0.15 1 292 . 64 THR H H 7.90 0.02 1 293 . 64 THR CA C 66.7 0.15 1 294 . 64 THR HA H 3.85 0.02 1 295 . 64 THR CB C 68.6 0.15 1 296 . 64 THR HB H 4.13 0.02 1 297 . 64 THR HG2 H 1.18 0.02 1 298 . 64 THR CG2 C 19.7 0.15 1 299 . 64 THR C C 176.5 0.15 1 300 . 65 ASN N N 121.2 0.15 1 301 . 65 ASN H H 8.78 0.02 1 302 . 65 ASN CA C 56.9 0.15 1 303 . 65 ASN HA H 4.35 0.02 1 304 . 65 ASN CB C 39.5 0.15 1 305 . 65 ASN HB2 H 2.73 0.02 2 306 . 65 ASN HB3 H 2.88 0.02 2 307 . 65 ASN ND2 N 115.9 0.15 1 308 . 65 ASN HD21 H 8.69 0.02 2 309 . 65 ASN HD22 H 7.14 0.02 2 310 . 65 ASN C C 177.7 0.15 1 311 . 66 LEU N N 122.5 0.15 1 312 . 66 LEU H H 7.24 0.02 1 313 . 66 LEU CA C 58.0 0.15 1 314 . 66 LEU HA H 2.86 0.02 1 315 . 66 LEU CB C 41.8 0.15 1 316 . 66 LEU HB2 H 1.02 0.02 2 317 . 66 LEU HB3 H 1.86 0.02 2 318 . 66 LEU CG C 26.7 0.15 1 319 . 66 LEU HG H 0.93 0.02 1 320 . 66 LEU HD1 H 0.28 0.02 2 321 . 66 LEU HD2 H 0.76 0.02 2 322 . 66 LEU CD1 C 24.4 0.15 1 323 . 66 LEU CD2 C 26.6 0.15 1 324 . 66 LEU C C 176.4 0.15 1 325 . 67 LYS N N 118.5 0.15 1 326 . 67 LYS H H 7.99 0.02 1 327 . 67 LYS CA C 60.6 0.15 1 328 . 67 LYS HA H 3.79 0.02 1 329 . 67 LYS CB C 32.2 0.15 1 330 . 67 LYS HB3 H 1.89 0.02 2 331 . 67 LYS CG C 26.1 0.15 1 332 . 67 LYS HG2 H 1.63 0.02 2 333 . 67 LYS HG3 H 1.47 0.02 2 334 . 67 LYS CD C 29.4 0.15 1 335 . 67 LYS HD3 H 1.70 0.02 2 336 . 67 LYS CE C 42.4 0.15 1 337 . 67 LYS HE3 H 2.98 0.02 2 338 . 67 LYS C C 180.3 0.15 1 339 . 68 THR N N 116.1 0.15 1 340 . 68 THR H H 8.12 0.02 1 341 . 68 THR CA C 66.6 0.15 1 342 . 68 THR HA H 3.81 0.02 1 343 . 68 THR CB C 68.8 0.15 1 344 . 68 THR HB H 4.13 0.02 1 345 . 68 THR HG2 H 1.22 0.02 1 346 . 68 THR CG2 C 22.3 0.15 1 347 . 68 THR C C 177.4 0.15 1 348 . 69 HIS N N 122.8 0.15 1 349 . 69 HIS H H 7.58 0.02 1 350 . 69 HIS CA C 60.1 0.15 1 351 . 69 HIS HA H 4.25 0.02 1 352 . 69 HIS CB C 27.5 0.15 1 353 . 69 HIS HB2 H 2.56 0.02 2 354 . 69 HIS HB3 H 2.96 0.02 2 355 . 69 HIS CD2 C 128.1 0.15 1 356 . 69 HIS CE1 C 140.0 0.15 1 357 . 69 HIS HD2 H 6.20 0.02 1 358 . 69 HIS HE1 H 8.35 0.02 1 359 . 69 HIS C C 178.7 0.15 1 360 . 70 PHE N N 120.2 0.15 1 361 . 70 PHE H H 7.91 0.02 1 362 . 70 PHE CA C 56.9 0.15 1 363 . 70 PHE HA H 3.80 0.02 1 364 . 70 PHE CB C 37.2 0.15 1 365 . 70 PHE HB3 H 3.11 0.02 2 366 . 70 PHE HD1 H 6.53 0.02 1 367 . 70 PHE HD2 H 6.53 0.02 1 368 . 70 PHE HE1 H 7.57 0.02 1 369 . 70 PHE HE2 H 7.57 0.02 1 370 . 70 PHE CD1 C 129.6 0.15 1 371 . 70 PHE CE1 C 131.7 0.15 1 372 . 70 PHE CZ C 130.3 0.15 1 373 . 70 PHE HZ H 7.47 0.02 1 374 . 70 PHE C C 176.4 0.15 1 375 . 71 ARG N N 115.5 0.15 1 376 . 71 ARG H H 7.20 0.02 1 377 . 71 ARG CA C 56.4 0.15 1 378 . 71 ARG HA H 4.42 0.02 1 379 . 71 ARG CB C 30.8 0.15 1 380 . 71 ARG HB2 H 2.09 0.02 2 381 . 71 ARG HB3 H 1.86 0.02 2 382 . 71 ARG CG C 27.7 0.15 1 383 . 71 ARG HG2 H 1.69 0.02 2 384 . 71 ARG HG3 H 1.84 0.02 2 385 . 71 ARG CD C 43.7 0.15 1 386 . 71 ARG HD3 H 3.24 0.02 2 387 . 71 ARG C C 176.5 0.15 1 388 . 72 SER N N 117.2 0.15 1 389 . 72 SER H H 7.83 0.02 1 390 . 72 SER CA C 58.9 0.15 1 391 . 72 SER HA H 4.46 0.02 1 392 . 72 SER CB C 66.3 0.15 1 393 . 72 SER HB2 H 4.23 0.02 2 394 . 72 SER HB3 H 4.22 0.02 2 395 . 72 SER C C 175.1 0.15 1 396 . 73 LYS N N 123.2 0.15 1 397 . 73 LYS H H 8.99 0.02 1 398 . 73 LYS CA C 59.9 0.15 1 399 . 73 LYS HA H 4.03 0.02 1 400 . 73 LYS CB C 32.5 0.15 1 401 . 73 LYS HB2 H 1.95 0.02 2 402 . 73 LYS HB3 H 1.91 0.02 2 403 . 73 LYS CG C 25.4 0.15 1 404 . 73 LYS HG3 H 1.67 0.02 2 405 . 73 LYS CD C 29.6 0.15 1 406 . 73 LYS HD3 H 1.77 0.02 2 407 . 73 LYS CE C 40.6 0.15 1 408 . 73 LYS HE3 H 3.07 0.02 2 409 . 73 LYS C C 179.3 0.15 1 410 . 74 ASP N N 118.1 0.15 1 411 . 74 ASP H H 8.50 0.02 1 412 . 74 ASP CA C 57.3 0.15 1 413 . 74 ASP HA H 4.39 0.02 1 414 . 74 ASP CB C 40.6 0.15 1 415 . 74 ASP HB2 H 2.76 0.02 2 416 . 74 ASP HB3 H 2.90 0.02 2 417 . 74 ASP C C 178.6 0.15 1 418 . 75 HIS N N 119.4 0.15 1 419 . 75 HIS H H 7.52 0.02 1 420 . 75 HIS CA C 60.0 0.15 1 421 . 75 HIS HA H 4.11 0.02 1 422 . 75 HIS CB C 30.7 0.15 1 423 . 75 HIS HB2 H 2.97 0.02 2 424 . 75 HIS HB3 H 1.89 0.02 2 425 . 75 HIS CD2 C 120.2 0.15 1 426 . 75 HIS CE1 C 141.7 0.15 1 427 . 75 HIS HD2 H 7.11 0.02 1 428 . 75 HIS HE1 H 8.29 0.02 1 429 . 75 HIS C C 176.3 0.15 1 430 . 76 LYS N N 117.4 0.15 1 431 . 76 LYS H H 7.64 0.02 1 432 . 76 LYS CA C 60.4 0.15 1 433 . 76 LYS HA H 3.73 0.02 1 434 . 76 LYS CB C 32.4 0.15 1 435 . 76 LYS HB3 H 1.90 0.02 2 436 . 76 LYS CG C 25.9 0.15 1 437 . 76 LYS HG2 H 1.50 0.02 2 438 . 76 LYS HG3 H 1.68 0.02 2 439 . 76 LYS CD C 29.7 0.15 1 440 . 76 LYS HD2 H 1.63 0.02 2 441 . 76 LYS HD3 H 1.69 0.02 2 442 . 76 LYS CE C 42.4 0.15 1 443 . 76 LYS HE3 H 2.97 0.02 2 444 . 76 LYS C C 179.5 0.15 1 445 . 77 LYS N N 119.4 0.15 1 446 . 77 LYS H H 8.30 0.02 1 447 . 77 LYS CA C 59.3 0.15 1 448 . 77 LYS HA H 4.03 0.02 1 449 . 77 LYS CB C 32.1 0.15 1 450 . 77 LYS HB3 H 1.91 0.02 2 451 . 77 LYS CG C 25.3 0.15 1 452 . 77 LYS HG2 H 1.42 0.02 2 453 . 77 LYS HG3 H 1.57 0.02 2 454 . 77 LYS CD C 29.6 0.15 1 455 . 77 LYS HD3 H 1.72 0.02 2 456 . 77 LYS C C 178.8 0.15 1 457 . 78 ARG N N 121.3 0.15 1 458 . 78 ARG H H 7.53 0.02 1 459 . 78 ARG CA C 57.4 0.15 1 460 . 78 ARG HA H 4.12 0.02 1 461 . 78 ARG CB C 29.5 0.15 1 462 . 78 ARG HB2 H 1.89 0.02 2 463 . 78 ARG HB3 H 1.96 0.02 2 464 . 78 ARG CG C 27.0 0.15 1 465 . 78 ARG HG2 H 1.43 0.02 2 466 . 78 ARG HG3 H 2.03 0.02 2 467 . 78 ARG CD C 42.9 0.15 1 468 . 78 ARG HD2 H 3.46 0.02 2 469 . 78 ARG HD3 H 3.20 0.02 2 470 . 78 ARG C C 178.4 0.15 1 471 . 79 LEU N N 118.4 0.15 1 472 . 79 LEU H H 7.84 0.02 1 473 . 79 LEU CA C 57.5 0.15 1 474 . 79 LEU HA H 3.87 0.02 1 475 . 79 LEU CB C 41.5 0.15 1 476 . 79 LEU HB2 H 1.45 0.02 2 477 . 79 LEU HB3 H 1.60 0.02 2 478 . 79 LEU CG C 26.7 0.15 1 479 . 79 LEU HG H 1.35 0.02 1 480 . 79 LEU HD1 H 0.62 0.02 2 481 . 79 LEU HD2 H 0.74 0.02 2 482 . 79 LEU CD1 C 23.1 0.15 1 483 . 79 LEU CD2 C 25.5 0.15 1 484 . 79 LEU C C 179.8 0.15 1 485 . 80 LYS N N 119.0 0.15 1 486 . 80 LYS H H 7.60 0.02 1 487 . 80 LYS CA C 58.9 0.15 1 488 . 80 LYS HA H 4.13 0.02 1 489 . 80 LYS CB C 32.3 0.15 1 490 . 80 LYS HB2 H 1.91 0.02 1 491 . 80 LYS HB3 H 1.91 0.02 1 492 . 80 LYS CG C 24.9 0.15 1 493 . 80 LYS HG2 H 1.47 0.02 1 494 . 80 LYS HG3 H 1.47 0.02 1 495 . 80 LYS CD C 29.3 0.15 1 496 . 80 LYS HD2 H 1.48 0.02 2 497 . 80 LYS HD3 H 1.71 0.02 2 498 . 80 LYS CE C 42.5 0.15 1 499 . 80 LYS HE3 H 2.99 0.02 2 500 . 80 LYS C C 179.0 0.15 1 501 . 81 GLN N N 119.8 0.15 1 502 . 81 GLN H H 7.95 0.02 1 503 . 81 GLN CA C 58.0 0.15 1 504 . 81 GLN HA H 4.15 0.02 1 505 . 81 GLN CB C 28.8 0.15 1 506 . 81 GLN HB3 H 2.24 0.02 2 507 . 81 GLN CG C 34.0 0.15 1 508 . 81 GLN HG2 H 2.40 0.02 2 509 . 81 GLN HG3 H 2.56 0.02 2 510 . 81 GLN NE2 N 111.9 0.15 1 511 . 81 GLN HE21 H 7.54 0.02 2 512 . 81 GLN HE22 H 6.86 0.02 2 513 . 81 GLN C C 177.7 0.15 1 514 . 82 LEU N N 119.1 0.15 1 515 . 82 LEU H H 7.88 0.02 1 516 . 82 LEU CA C 55.9 0.15 1 517 . 82 LEU HA H 4.29 0.02 1 518 . 82 LEU CB C 42.6 0.15 1 519 . 82 LEU HB2 H 1.59 0.02 2 520 . 82 LEU HB3 H 1.79 0.02 2 521 . 82 LEU CG C 27.0 0.15 1 522 . 82 LEU HG H 1.75 0.02 1 523 . 82 LEU HD2 H 0.90 0.02 2 524 . 82 LEU CD2 C 23.1 0.15 1 525 . 82 LEU C C 177.7 0.15 1 526 . 83 SER N N 114.6 0.15 1 527 . 83 SER H H 7.85 0.02 1 528 . 83 SER CA C 59.3 0.15 1 529 . 83 SER HA H 4.40 0.02 1 530 . 83 SER CB C 63.9 0.15 1 531 . 83 SER HB3 H 3.98 0.02 2 532 . 83 SER C C 174.5 0.15 1 533 . 84 VAL N N 119.0 0.15 1 534 . 84 VAL H H 7.75 0.02 1 535 . 84 VAL CA C 62.4 0.15 1 536 . 84 VAL HA H 4.24 0.02 1 537 . 84 VAL CB C 33.3 0.15 1 538 . 84 VAL HB H 2.17 0.02 1 539 . 84 VAL HG2 H 0.95 0.02 2 540 . 84 VAL CG2 C 21.1 0.15 1 541 . 84 VAL C C 176.0 0.15 1 542 . 85 GLU N N 125.0 0.15 1 543 . 85 GLU H H 8.22 0.02 1 544 . 85 GLU CA C 54.8 0.15 1 545 . 85 GLU HA H 4.60 0.02 1 546 . 85 GLU CB C 29.6 0.15 1 547 . 85 GLU HB2 H 2.02 0.02 2 548 . 85 GLU HB3 H 1.90 0.02 2 549 . 85 GLU CG C 36.4 0.15 1 550 . 85 GLU HG3 H 2.32 0.02 2 551 . 85 GLU C C 174.7 0.15 1 552 . 86 PRO CD C 51.6 0.15 1 553 . 86 PRO CA C 64.0 0.15 1 554 . 86 PRO HA H 4.40 0.02 1 555 . 86 PRO CB C 32.2 0.15 1 556 . 86 PRO HB3 H 2.22 0.02 2 557 . 86 PRO CG C 27.8 0.15 1 558 . 86 PRO HG2 H 1.81 0.02 2 559 . 86 PRO C C 176.9 0.15 1 560 . 87 TYR N N 119.9 0.15 1 561 . 87 TYR H H 8.14 0.02 1 562 . 87 TYR CA C 57.9 0.15 1 563 . 87 TYR HA H 4.59 0.02 1 564 . 87 TYR CB C 38.8 0.15 1 565 . 87 TYR HB3 H 3.04 0.02 2 566 . 87 TYR HD1 H 7.11 0.02 1 567 . 87 TYR HD2 H 7.11 0.02 1 568 . 87 TYR HE1 H 6.79 0.02 1 569 . 87 TYR HE2 H 6.79 0.02 1 570 . 87 TYR CD1 C 133.3 0.15 1 571 . 87 TYR CE1 C 118.3 0.15 1 572 . 87 TYR C C 176.0 0.15 1 573 . 88 SER N N 117.9 0.15 1 574 . 88 SER H H 8.17 0.02 1 575 . 88 SER CA C 58.0 0.15 1 576 . 88 SER HA H 4.47 0.02 1 577 . 88 SER CB C 64.5 0.15 1 578 . 88 SER HB3 H 3.88 0.02 2 579 . 88 SER C C 174.8 0.15 1 580 . 89 GLN N N 123.5 0.15 1 581 . 89 GLN H H 8.54 0.02 1 582 . 89 GLN CA C 57.3 0.15 1 583 . 89 GLN HA H 4.23 0.02 1 584 . 89 GLN CB C 29.5 0.15 1 585 . 89 GLN HB3 H 2.10 0.02 2 586 . 89 GLN CG C 34.0 0.15 1 587 . 89 GLN HG2 H 2.40 0.02 1 588 . 89 GLN HG3 H 2.40 0.02 1 589 . 89 GLN NE2 N 112.5 0.15 1 590 . 89 GLN HE21 H 7.67 0.02 2 591 . 89 GLN HE22 H 6.84 0.02 2 592 . 89 GLN C C 176.9 0.15 1 593 . 90 GLU N N 120.7 0.15 1 594 . 90 GLU H H 8.47 0.02 1 595 . 90 GLU CA C 58.7 0.15 1 596 . 90 GLU HA H 4.39 0.02 1 597 . 90 GLU CB C 30.4 0.15 1 598 . 90 GLU HB3 H 2.02 0.02 2 599 . 90 GLU CG C 36.1 0.15 1 600 . 90 GLU C C 177.8 0.15 1 601 . 91 GLU N N 121.3 0.15 1 602 . 91 GLU H H 8.19 0.02 1 603 . 91 GLU CA C 58.0 0.15 1 604 . 91 GLU HA H 4.14 0.02 1 605 . 91 GLU CB C 30.3 0.15 1 606 . 91 GLU HB3 H 2.03 0.02 2 607 . 91 GLU CG C 36.5 0.15 1 608 . 91 GLU HG2 H 2.56 0.02 2 609 . 91 GLU C C 175.9 0.15 1 610 . 92 ALA N N 123.8 0.15 1 611 . 92 ALA H H 8.19 0.02 1 612 . 92 ALA CA C 53.8 0.15 1 613 . 92 ALA HA H 4.20 0.02 1 614 . 92 ALA HB H 1.46 0.02 1 615 . 92 ALA CB C 19.1 0.15 1 616 . 92 ALA C C 179.3 0.15 1 617 . 93 GLU N N 118.9 0.15 1 618 . 93 GLU H H 8.22 0.02 1 619 . 93 GLU CA C 58.2 0.15 1 620 . 93 GLU HA H 4.17 0.02 1 621 . 93 GLU CB C 30.3 0.15 1 622 . 93 GLU HB3 H 2.06 0.02 2 623 . 93 GLU CG C 36.5 0.15 1 624 . 93 GLU HG2 H 2.30 0.02 2 625 . 93 GLU HG3 H 2.75 0.02 2 626 . 93 GLU C C 177.9 0.15 1 627 . 94 ARG N N 121.1 0.15 1 628 . 94 ARG H H 8.04 0.02 1 629 . 94 ARG CA C 57.3 0.15 1 630 . 94 ARG HA H 4.22 0.02 1 631 . 94 ARG CB C 30.6 0.15 1 632 . 94 ARG HB3 H 1.87 0.02 2 633 . 94 ARG CG C 27.6 0.15 1 634 . 94 ARG HG2 H 1.34 0.02 2 635 . 94 ARG HG3 H 1.72 0.02 2 636 . 94 ARG CD C 43.6 0.15 1 637 . 94 ARG HD2 H 2.97 0.02 2 638 . 94 ARG HD3 H 3.20 0.02 2 639 . 94 ARG NE N 111.9 0.15 1 640 . 94 ARG HE H 6.86 0.02 1 641 . 94 ARG C C 177.4 0.15 1 642 . 95 ALA N N 123.7 0.15 1 643 . 95 ALA H H 8.14 0.02 1 644 . 95 ALA CA C 53.5 0.15 1 645 . 95 ALA HA H 4.23 0.02 1 646 . 95 ALA HB H 1.05 0.02 1 647 . 95 ALA CB C 19.2 0.15 1 648 . 95 ALA C C 178.3 0.15 1 649 . 96 ALA N N 121.9 0.15 1 650 . 96 ALA H H 8.02 0.02 1 651 . 96 ALA CA C 53.5 0.15 1 652 . 96 ALA HA H 4.31 0.02 1 653 . 96 ALA HB H 1.47 0.02 1 654 . 96 ALA CB C 19.1 0.15 1 655 . 96 ALA C C 178.7 0.15 1 656 . 97 GLY N N 107.3 0.15 1 657 . 97 GLY H H 8.16 0.02 1 658 . 97 GLY CA C 45.9 0.15 1 659 . 97 GLY HA3 H 4.01 0.02 2 660 . 97 GLY C C 174.8 0.15 1 661 . 98 MET N N 119.6 0.15 1 662 . 98 MET H H 8.12 0.02 1 663 . 98 MET CA C 55.9 0.15 1 664 . 98 MET HA H 4.55 0.02 1 665 . 98 MET CB C 33.0 0.15 1 666 . 98 MET HB3 H 2.17 0.02 2 667 . 98 MET CG C 32.3 0.15 1 668 . 98 MET HG3 H 2.65 0.02 2 669 . 98 MET C C 177.0 0.15 1 670 . 99 GLY N N 109.9 0.15 1 671 . 99 GLY H H 8.45 0.02 1 672 . 99 GLY CA C 45.9 0.15 1 673 . 99 GLY HA2 H 3.56 0.02 2 674 . 99 GLY HA3 H 3.82 0.02 2 675 . 99 GLY C C 174.3 0.15 1 676 . 100 SER N N 115.7 0.15 1 677 . 100 SER H H 8.14 0.02 1 678 . 100 SER CA C 58.6 0.15 1 679 . 100 SER HA H 4.49 0.02 1 680 . 100 SER CB C 64.7 0.15 1 681 . 100 SER HB2 H 3.85 0.02 2 682 . 100 SER HB3 H 4.43 0.02 2 683 . 100 SER C C 174.0 0.15 1 684 . 101 TYR N N 123.1 0.15 1 685 . 101 TYR H H 8.21 0.02 1 686 . 101 TYR CA C 58.6 0.15 1 687 . 101 TYR HA H 4.55 0.02 1 688 . 101 TYR CB C 39.4 0.15 1 689 . 101 TYR HB2 H 3.06 0.02 2 690 . 101 TYR HB3 H 2.89 0.02 2 691 . 101 TYR C C 174.9 0.15 1 692 . 102 VAL N N 127.5 0.15 1 693 . 102 VAL H H 7.82 0.02 1 694 . 102 VAL CA C 59.3 0.15 1 695 . 102 VAL HA H 4.29 0.02 1 696 . 102 VAL CB C 33.6 0.15 1 697 . 102 VAL HB H 1.89 0.02 1 698 . 102 VAL HG1 H 0.88 0.02 1 699 . 102 VAL HG2 H 0.88 0.02 1 700 . 102 VAL CG1 C 20.9 0.15 1 701 . 102 VAL CG2 C 19.2 0.15 1 702 . 102 VAL C C 173.1 0.15 1 stop_ save_