data_11377 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the first C2H2 type zinc finger domain of Zinc finger protein 278 ; _BMRB_accession_number 11377 _BMRB_flat_file_name bmr11377.str _Entry_type original _Submission_date 2010-09-08 _Accession_date 2010-09-08 _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 Tanabe W. . . 2 Suzuki S. . . 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" 321 "13C chemical shifts" 237 "15N chemical shifts" 53 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-07 original author . stop_ _Original_release_date 2011-09-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the first C2H2 type zinc finger domain of 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 Tanabe W. . . 2 Suzuki S. . . 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 'POZ-, AT hook-, and zinc finger-containing protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zinc finger domain' $entity_1 'ZINC ION' $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 'zinc finger domain' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 66 _Mol_residue_sequence ; GSSGSSGLREAGILPCGLCG KVFTDANRLRQHEAQHGVTS LQLGYIDLPPPRLGENGLPI SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LEU 9 ARG 10 GLU 11 ALA 12 GLY 13 ILE 14 LEU 15 PRO 16 CYS 17 GLY 18 LEU 19 CYS 20 GLY 21 LYS 22 VAL 23 PHE 24 THR 25 ASP 26 ALA 27 ASN 28 ARG 29 LEU 30 ARG 31 GLN 32 HIS 33 GLU 34 ALA 35 GLN 36 HIS 37 GLY 38 VAL 39 THR 40 SER 41 LEU 42 GLN 43 LEU 44 GLY 45 TYR 46 ILE 47 ASP 48 LEU 49 PRO 50 PRO 51 PRO 52 ARG 53 LEU 54 GLY 55 GLU 56 ASN 57 GLY 58 LEU 59 PRO 60 ILE 61 SER 62 GLY 63 PRO 64 SER 65 SER 66 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 2EPP "Solution Structure Of The First C2h2 Type Zinc Finger Domain Of Zinc Finger Protein 278" 100.00 66 100.00 100.00 9.32e-38 DBJ BAA90874 "transcription factor MAZR [Mus musculus]" 83.33 641 100.00 100.00 1.96e-28 DBJ BAD92024 "zinc finger protein 278 long A isoform variant [Homo sapiens]" 83.33 651 98.18 98.18 1.10e-27 DBJ BAE38619 "unnamed protein product [Mus musculus]" 83.33 537 100.00 100.00 1.02e-28 DBJ BAF84492 "unnamed protein product [Homo sapiens]" 83.33 537 100.00 100.00 1.18e-28 DBJ BAG10581 "POZ-, AT hook-, and zinc finger-containing protein 1 [synthetic construct]" 83.33 641 98.18 98.18 1.03e-27 EMBL CAB51404 "hypothetical protein [Homo sapiens]" 83.33 616 100.00 100.00 1.91e-28 EMBL CAG30499 "ZNF278 [Homo sapiens]" 83.33 641 100.00 100.00 2.00e-28 EMBL CAK54641 "ZNF278 [synthetic construct]" 83.33 641 100.00 100.00 2.00e-28 EMBL CAK54940 "ZNF278 [synthetic construct]" 83.33 641 100.00 100.00 2.00e-28 GB AAF01349 "similar to zinc finger protein MAZ [Homo sapiens]; similar to AAB04121.1 (PID:g995935) [Homo sapiens]" 83.33 641 100.00 100.00 2.00e-28 GB AAF32517 "PATZ [Mus musculus]" 83.33 163 98.18 98.18 1.53e-29 GB AAF32518 "PATZ [Homo sapiens]" 83.33 537 100.00 100.00 1.23e-28 GB AAF99602 "krueppel-related zinc finger protein SBZF5 [Homo sapiens]" 83.33 424 100.00 100.00 5.74e-29 GB AAG09031 "zinc finger sarcoma gene short isoform [Homo sapiens]" 83.33 537 100.00 100.00 1.16e-28 REF NP_001100701 "POZ-, AT hook-, and zinc finger-containing protein 1 isoform 1 [Rattus norvegicus]" 83.33 641 100.00 100.00 2.00e-28 REF NP_001164822 "POZ-, AT hook-, and zinc finger-containing protein 1 [Oryctolagus cuniculus]" 83.33 687 100.00 100.00 2.91e-28 REF NP_001178126 "POZ-, AT hook-, and zinc finger-containing protein 1 [Bos taurus]" 83.33 687 100.00 100.00 2.71e-28 REF NP_001240619 "POZ-, AT hook-, and zinc finger-containing protein 1 isoform 2 [Mus musculus]" 83.33 537 100.00 100.00 1.37e-28 REF NP_001240620 "POZ-, AT hook-, and zinc finger-containing protein 1 isoform 3 [Mus musculus]" 83.33 516 100.00 100.00 1.15e-28 SP Q9HBE1 "RecName: Full=POZ-, AT hook-, and zinc finger-containing protein 1; AltName: Full=BTB/POZ domain zinc finger transcription fact" 83.33 687 100.00 100.00 2.41e-28 TPG DAA20504 "TPA: POZ (BTB) and AT hook containing zinc finger 1 isoform 1 [Bos taurus]" 83.33 687 100.00 100.00 2.71e-28 TPG DAA20505 "TPA: POZ (BTB) and AT hook containing zinc finger 1 isoform 2 [Bos taurus]" 83.33 641 100.00 100.00 2.33e-28 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 P061204-01 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.89mM 13C-15N PROTEIN, 20mM d-Tris-HCl(pH7.0), 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 90% H2O, 10% D2O, 0.05mM ZnCl2, 1mM IDA ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.89 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' ZnCl2 0.05 mM 'natural abundance' 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 'Johnson 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 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'zinc finger 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 7 7 GLY H H 8.315 0.030 1 2 7 7 GLY HA2 H 3.969 0.030 1 3 7 7 GLY HA3 H 3.969 0.030 1 4 7 7 GLY C C 174.075 0.300 1 5 7 7 GLY CA C 45.471 0.300 1 6 7 7 GLY N N 108.832 0.300 1 7 8 8 LEU H H 8.044 0.030 1 8 8 8 LEU HA H 4.336 0.030 1 9 8 8 LEU HB2 H 1.615 0.030 1 10 8 8 LEU HB3 H 1.615 0.030 1 11 8 8 LEU HD1 H 0.914 0.030 1 12 8 8 LEU HD2 H 0.859 0.030 1 13 8 8 LEU HG H 1.610 0.030 1 14 8 8 LEU C C 177.469 0.300 1 15 8 8 LEU CA C 55.506 0.300 1 16 8 8 LEU CB C 42.309 0.300 1 17 8 8 LEU CD1 C 25.027 0.300 2 18 8 8 LEU CD2 C 23.433 0.300 2 19 8 8 LEU CG C 26.983 0.300 1 20 8 8 LEU N N 121.650 0.300 1 21 9 9 ARG H H 8.350 0.030 1 22 9 9 ARG HA H 4.327 0.030 1 23 9 9 ARG HB2 H 1.861 0.030 2 24 9 9 ARG HB3 H 1.796 0.030 2 25 9 9 ARG C C 176.477 0.300 1 26 9 9 ARG CA C 56.345 0.300 1 27 9 9 ARG CB C 30.687 0.300 1 28 9 9 ARG CD C 43.244 0.300 1 29 9 9 ARG CG C 26.963 0.300 1 30 9 9 ARG N N 121.788 0.300 1 31 10 10 GLU H H 8.446 0.030 1 32 10 10 GLU HA H 4.264 0.030 1 33 10 10 GLU HB2 H 1.953 0.030 2 34 10 10 GLU HB3 H 2.068 0.030 2 35 10 10 GLU HG2 H 2.271 0.030 1 36 10 10 GLU HG3 H 2.271 0.030 1 37 10 10 GLU C C 176.128 0.300 1 38 10 10 GLU CA C 56.677 0.300 1 39 10 10 GLU CB C 30.288 0.300 1 40 10 10 GLU CG C 36.378 0.300 1 41 10 10 GLU N N 122.062 0.300 1 42 11 11 ALA H H 8.288 0.030 1 43 11 11 ALA HA H 4.341 0.030 1 44 11 11 ALA HB H 1.437 0.030 1 45 11 11 ALA C C 177.941 0.300 1 46 11 11 ALA CA C 52.703 0.300 1 47 11 11 ALA CB C 19.402 0.300 1 48 11 11 ALA N N 124.661 0.300 1 49 12 12 GLY H H 8.318 0.030 1 50 12 12 GLY HA2 H 3.882 0.030 2 51 12 12 GLY HA3 H 3.926 0.030 2 52 12 12 GLY C C 173.122 0.300 1 53 12 12 GLY CA C 45.322 0.300 1 54 12 12 GLY N N 107.915 0.300 1 55 13 13 ILE H H 7.671 0.030 1 56 13 13 ILE HA H 4.290 0.030 1 57 13 13 ILE HB H 1.815 0.030 1 58 13 13 ILE HD1 H 0.785 0.030 1 59 13 13 ILE HG12 H 1.410 0.030 2 60 13 13 ILE HG13 H 1.099 0.030 2 61 13 13 ILE HG2 H 0.821 0.030 1 62 13 13 ILE C C 175.346 0.300 1 63 13 13 ILE CA C 60.649 0.300 1 64 13 13 ILE CB C 39.127 0.300 1 65 13 13 ILE CD1 C 12.928 0.300 1 66 13 13 ILE CG1 C 26.824 0.300 1 67 13 13 ILE CG2 C 18.148 0.300 1 68 13 13 ILE N N 118.161 0.300 1 69 14 14 LEU H H 8.646 0.030 1 70 14 14 LEU HA H 4.931 0.030 1 71 14 14 LEU HB2 H 1.730 0.030 2 72 14 14 LEU HB3 H 1.448 0.030 2 73 14 14 LEU HD1 H 0.738 0.030 1 74 14 14 LEU HD2 H 0.825 0.030 1 75 14 14 LEU HG H 1.534 0.030 1 76 14 14 LEU C C 174.036 0.300 1 77 14 14 LEU CA C 51.802 0.300 1 78 14 14 LEU CB C 43.552 0.300 1 79 14 14 LEU CD1 C 25.524 0.300 2 80 14 14 LEU CD2 C 23.641 0.300 2 81 14 14 LEU CG C 26.533 0.300 1 82 14 14 LEU N N 126.663 0.300 1 83 15 15 PRO HA H 4.998 0.030 1 84 15 15 PRO HB2 H 2.045 0.030 2 85 15 15 PRO HB3 H 1.722 0.030 2 86 15 15 PRO HD2 H 3.808 0.030 2 87 15 15 PRO HD3 H 3.762 0.030 2 88 15 15 PRO HG2 H 1.909 0.030 2 89 15 15 PRO HG3 H 2.115 0.030 2 90 15 15 PRO C C 176.920 0.300 1 91 15 15 PRO CA C 61.254 0.300 1 92 15 15 PRO CB C 32.050 0.300 1 93 15 15 PRO CD C 50.601 0.300 1 94 15 15 PRO CG C 27.031 0.300 1 95 16 16 CYS H H 9.102 0.030 1 96 16 16 CYS HA H 4.566 0.030 1 97 16 16 CYS HB2 H 3.377 0.030 2 98 16 16 CYS HB3 H 2.951 0.030 2 99 16 16 CYS C C 178.537 0.300 1 100 16 16 CYS CA C 59.648 0.300 1 101 16 16 CYS CB C 29.791 0.300 1 102 16 16 CYS N N 123.730 0.300 1 103 17 17 GLY H H 9.587 0.030 1 104 17 17 GLY HA2 H 3.951 0.030 2 105 17 17 GLY HA3 H 4.014 0.030 2 106 17 17 GLY C C 173.703 0.300 1 107 17 17 GLY CA C 46.847 0.300 1 108 17 17 GLY N N 120.401 0.300 1 109 18 18 LEU H H 9.109 0.030 1 110 18 18 LEU HA H 4.460 0.030 1 111 18 18 LEU HB2 H 0.989 0.030 1 112 18 18 LEU HB3 H 0.989 0.030 1 113 18 18 LEU HD1 H 0.633 0.030 1 114 18 18 LEU HD2 H 0.647 0.030 1 115 18 18 LEU HG H 1.431 0.030 1 116 18 18 LEU C C 177.826 0.300 1 117 18 18 LEU CA C 56.306 0.300 1 118 18 18 LEU CB C 42.529 0.300 1 119 18 18 LEU CD1 C 23.432 0.300 2 120 18 18 LEU CD2 C 24.829 0.300 2 121 18 18 LEU CG C 27.427 0.300 1 122 18 18 LEU N N 122.792 0.300 1 123 19 19 CYS H H 8.310 0.030 1 124 19 19 CYS HA H 5.173 0.030 1 125 19 19 CYS HB2 H 3.472 0.030 2 126 19 19 CYS HB3 H 2.896 0.030 2 127 19 19 CYS C C 176.137 0.300 1 128 19 19 CYS CA C 58.700 0.300 1 129 19 19 CYS CB C 32.519 0.300 1 130 19 19 CYS N N 116.974 0.300 1 131 20 20 GLY H H 8.158 0.030 1 132 20 20 GLY HA2 H 4.232 0.030 2 133 20 20 GLY HA3 H 3.854 0.030 2 134 20 20 GLY C C 173.622 0.300 1 135 20 20 GLY CA C 46.208 0.300 1 136 20 20 GLY N N 112.412 0.300 1 137 21 21 LYS H H 8.182 0.030 1 138 21 21 LYS HA H 4.055 0.030 1 139 21 21 LYS HB2 H 1.648 0.030 2 140 21 21 LYS HB3 H 1.323 0.030 2 141 21 21 LYS HD2 H 1.402 0.030 2 142 21 21 LYS HD3 H 1.548 0.030 2 143 21 21 LYS HE2 H 2.834 0.030 2 144 21 21 LYS HE3 H 2.947 0.030 2 145 21 21 LYS HG2 H 1.018 0.030 2 146 21 21 LYS HG3 H 1.408 0.030 2 147 21 21 LYS C C 174.996 0.300 1 148 21 21 LYS CA C 58.255 0.300 1 149 21 21 LYS CB C 33.796 0.300 1 150 21 21 LYS CD C 29.419 0.300 1 151 21 21 LYS CE C 42.154 0.300 1 152 21 21 LYS CG C 25.851 0.300 1 153 21 21 LYS N N 123.702 0.300 1 154 22 22 VAL H H 7.873 0.030 1 155 22 22 VAL HA H 4.300 0.030 1 156 22 22 VAL HB H 1.749 0.030 1 157 22 22 VAL HG1 H 0.842 0.030 1 158 22 22 VAL HG2 H 0.762 0.030 1 159 22 22 VAL C C 175.244 0.300 1 160 22 22 VAL CA C 62.289 0.300 1 161 22 22 VAL CB C 33.661 0.300 1 162 22 22 VAL CG1 C 20.719 0.300 2 163 22 22 VAL CG2 C 22.165 0.300 2 164 22 22 VAL N N 119.815 0.300 1 165 23 23 PHE H H 8.337 0.030 1 166 23 23 PHE HA H 4.609 0.030 1 167 23 23 PHE HB2 H 2.928 0.030 2 168 23 23 PHE HB3 H 3.182 0.030 2 169 23 23 PHE HD1 H 7.291 0.030 1 170 23 23 PHE HD2 H 7.291 0.030 1 171 23 23 PHE HE1 H 6.727 0.030 1 172 23 23 PHE HE2 H 6.727 0.030 1 173 23 23 PHE HZ H 6.364 0.030 1 174 23 23 PHE CA C 57.319 0.300 1 175 23 23 PHE CB C 43.268 0.300 1 176 23 23 PHE CD1 C 132.425 0.300 1 177 23 23 PHE CD2 C 132.425 0.300 1 178 23 23 PHE CE1 C 130.382 0.300 1 179 23 23 PHE CE2 C 130.382 0.300 1 180 23 23 PHE CZ C 128.664 0.300 1 181 23 23 PHE N N 123.363 0.300 1 182 24 24 THR H H 8.873 0.030 1 183 24 24 THR HA H 4.677 0.030 1 184 24 24 THR HB H 4.524 0.030 1 185 24 24 THR HG2 H 1.175 0.030 1 186 24 24 THR C C 173.901 0.300 1 187 24 24 THR CA C 61.678 0.300 1 188 24 24 THR CB C 69.535 0.300 1 189 24 24 THR CG2 C 21.714 0.300 1 190 24 24 THR N N 108.756 0.300 1 191 25 25 ASP H H 7.360 0.030 1 192 25 25 ASP HA H 4.910 0.030 1 193 25 25 ASP HB2 H 2.816 0.030 1 194 25 25 ASP HB3 H 2.816 0.030 1 195 25 25 ASP C C 175.702 0.300 1 196 25 25 ASP CA C 53.151 0.300 1 197 25 25 ASP CB C 44.600 0.300 1 198 25 25 ASP N N 119.475 0.300 1 199 26 26 ALA H H 9.167 0.030 1 200 26 26 ALA HA H 3.934 0.030 1 201 26 26 ALA HB H 1.449 0.030 1 202 26 26 ALA C C 179.495 0.300 1 203 26 26 ALA CA C 55.163 0.300 1 204 26 26 ALA CB C 18.615 0.300 1 205 26 26 ALA N N 127.053 0.300 1 206 27 27 ASN H H 8.552 0.030 1 207 27 27 ASN HA H 4.480 0.030 1 208 27 27 ASN HB2 H 2.992 0.030 2 209 27 27 ASN HB3 H 2.800 0.030 2 210 27 27 ASN HD21 H 7.031 0.030 2 211 27 27 ASN HD22 H 7.910 0.030 2 212 27 27 ASN C C 178.147 0.300 1 213 27 27 ASN CA C 56.457 0.300 1 214 27 27 ASN CB C 37.977 0.300 1 215 27 27 ASN N N 117.911 0.300 1 216 27 27 ASN ND2 N 114.792 0.300 1 217 28 28 ARG H H 8.325 0.030 1 218 28 28 ARG HA H 4.029 0.030 1 219 28 28 ARG HB2 H 2.112 0.030 2 220 28 28 ARG HB3 H 2.045 0.030 2 221 28 28 ARG HD2 H 3.377 0.030 1 222 28 28 ARG HD3 H 3.377 0.030 1 223 28 28 ARG HG2 H 1.796 0.030 2 224 28 28 ARG HG3 H 1.973 0.030 2 225 28 28 ARG C C 179.469 0.300 1 226 28 28 ARG CA C 58.981 0.300 1 227 28 28 ARG CB C 29.922 0.300 1 228 28 28 ARG CD C 43.100 0.300 1 229 28 28 ARG CG C 28.246 0.300 1 230 28 28 ARG N N 120.954 0.300 1 231 29 29 LEU H H 7.689 0.030 1 232 29 29 LEU HA H 3.019 0.030 1 233 29 29 LEU HB2 H 1.837 0.030 2 234 29 29 LEU HB3 H 1.203 0.030 2 235 29 29 LEU HD1 H 0.899 0.030 1 236 29 29 LEU HD2 H 0.865 0.030 1 237 29 29 LEU HG H 1.404 0.030 1 238 29 29 LEU C C 177.430 0.300 1 239 29 29 LEU CA C 58.102 0.300 1 240 29 29 LEU CB C 40.742 0.300 1 241 29 29 LEU CD1 C 26.743 0.300 2 242 29 29 LEU CD2 C 22.541 0.300 2 243 29 29 LEU CG C 26.822 0.300 1 244 29 29 LEU N N 121.117 0.300 1 245 30 30 ARG H H 7.978 0.030 1 246 30 30 ARG HA H 4.138 0.030 1 247 30 30 ARG HB2 H 1.931 0.030 2 248 30 30 ARG HB3 H 1.992 0.030 2 249 30 30 ARG HD2 H 3.246 0.030 1 250 30 30 ARG HD3 H 3.246 0.030 1 251 30 30 ARG HG2 H 1.796 0.030 2 252 30 30 ARG HG3 H 1.714 0.030 2 253 30 30 ARG C C 179.688 0.300 1 254 30 30 ARG CA C 59.495 0.300 1 255 30 30 ARG CB C 30.119 0.300 1 256 30 30 ARG CD C 43.426 0.300 1 257 30 30 ARG CG C 27.624 0.300 1 258 30 30 ARG N N 119.076 0.300 1 259 31 31 GLN H H 7.781 0.030 1 260 31 31 GLN HA H 4.027 0.030 1 261 31 31 GLN HB2 H 2.084 0.030 1 262 31 31 GLN HB3 H 2.084 0.030 1 263 31 31 GLN HE21 H 7.377 0.030 2 264 31 31 GLN HE22 H 6.820 0.030 2 265 31 31 GLN HG2 H 2.521 0.030 2 266 31 31 GLN HG3 H 2.356 0.030 2 267 31 31 GLN C C 178.140 0.300 1 268 31 31 GLN CA C 58.828 0.300 1 269 31 31 GLN CB C 28.538 0.300 1 270 31 31 GLN CG C 33.899 0.300 1 271 31 31 GLN N N 118.175 0.300 1 272 31 31 GLN NE2 N 111.678 0.300 1 273 32 32 HIS H H 7.692 0.030 1 274 32 32 HIS HA H 4.211 0.030 1 275 32 32 HIS HB2 H 2.896 0.030 2 276 32 32 HIS HB3 H 3.100 0.030 2 277 32 32 HIS HD2 H 7.098 0.030 1 278 32 32 HIS HE1 H 7.945 0.030 1 279 32 32 HIS C C 177.743 0.300 1 280 32 32 HIS CA C 59.508 0.300 1 281 32 32 HIS CB C 28.387 0.300 1 282 32 32 HIS CD2 C 127.840 0.300 1 283 32 32 HIS CE1 C 139.408 0.300 1 284 32 32 HIS N N 119.355 0.300 1 285 33 33 GLU H H 9.034 0.030 1 286 33 33 GLU HA H 3.817 0.030 1 287 33 33 GLU HB2 H 2.285 0.030 2 288 33 33 GLU HB3 H 2.031 0.030 2 289 33 33 GLU HG2 H 2.716 0.030 2 290 33 33 GLU HG3 H 2.647 0.030 2 291 33 33 GLU C C 179.589 0.300 1 292 33 33 GLU CA C 60.666 0.300 1 293 33 33 GLU CB C 29.905 0.300 1 294 33 33 GLU CG C 38.051 0.300 1 295 33 33 GLU N N 119.761 0.300 1 296 34 34 ALA H H 7.664 0.030 1 297 34 34 ALA HA H 4.188 0.030 1 298 34 34 ALA HB H 1.498 0.030 1 299 34 34 ALA C C 180.012 0.300 1 300 34 34 ALA CA C 54.530 0.300 1 301 34 34 ALA CB C 18.022 0.300 1 302 34 34 ALA N N 120.597 0.300 1 303 35 35 GLN H H 7.650 0.030 1 304 35 35 GLN HA H 4.108 0.030 1 305 35 35 GLN HB2 H 2.010 0.030 1 306 35 35 GLN HB3 H 2.010 0.030 1 307 35 35 GLN HG2 H 2.465 0.030 1 308 35 35 GLN HG3 H 2.465 0.030 1 309 35 35 GLN C C 177.706 0.300 1 310 35 35 GLN CA C 57.167 0.300 1 311 35 35 GLN CB C 28.029 0.300 1 312 35 35 GLN CG C 34.022 0.300 1 313 35 35 GLN N N 116.782 0.300 1 314 36 36 HIS H H 7.361 0.030 1 315 36 36 HIS HA H 4.487 0.030 1 316 36 36 HIS HB2 H 3.303 0.030 2 317 36 36 HIS HB3 H 3.096 0.030 2 318 36 36 HIS HD2 H 6.619 0.030 1 319 36 36 HIS HE1 H 8.027 0.030 1 320 36 36 HIS C C 176.008 0.300 1 321 36 36 HIS CA C 57.565 0.300 1 322 36 36 HIS CB C 29.069 0.300 1 323 36 36 HIS CD2 C 127.477 0.300 1 324 36 36 HIS CE1 C 139.846 0.300 1 325 36 36 HIS N N 116.701 0.300 1 326 37 37 GLY H H 7.896 0.030 1 327 37 37 GLY HA2 H 4.005 0.030 1 328 37 37 GLY HA3 H 4.005 0.030 1 329 37 37 GLY CA C 45.574 0.300 1 330 37 37 GLY N N 107.189 0.300 1 331 38 38 VAL H H 7.790 0.030 1 332 38 38 VAL HA H 4.200 0.030 1 333 38 38 VAL HB H 2.116 0.030 1 334 38 38 VAL HG1 H 0.936 0.030 1 335 38 38 VAL HG2 H 0.940 0.030 1 336 38 38 VAL CA C 62.632 0.300 1 337 38 38 VAL CB C 32.646 0.300 1 338 38 38 VAL CG1 C 20.590 0.300 2 339 38 38 VAL CG2 C 21.247 0.300 2 340 38 38 VAL N N 118.893 0.300 1 341 39 39 THR H H 8.231 0.030 1 342 39 39 THR HA H 4.368 0.030 1 343 39 39 THR HB H 4.263 0.030 1 344 39 39 THR HG2 H 1.211 0.030 1 345 39 39 THR CA C 62.232 0.300 1 346 39 39 THR CB C 69.845 0.300 1 347 39 39 THR CG2 C 21.714 0.300 1 348 39 39 THR N N 117.264 0.300 1 349 40 40 SER HA H 4.388 0.030 1 350 40 40 SER HB2 H 3.844 0.030 2 351 40 40 SER HB3 H 3.885 0.030 2 352 40 40 SER CA C 58.800 0.300 1 353 40 40 SER CB C 63.652 0.300 1 354 41 41 LEU H H 7.907 0.030 1 355 41 41 LEU HA H 4.737 0.030 1 356 41 41 LEU HB2 H 1.583 0.030 1 357 41 41 LEU HB3 H 1.583 0.030 1 358 41 41 LEU HD1 H 0.903 0.030 1 359 41 41 LEU CA C 53.650 0.300 1 360 41 41 LEU CB C 42.331 0.300 1 361 41 41 LEU CD1 C 23.048 0.300 2 362 42 42 GLN H H 8.221 0.030 1 363 42 42 GLN HA H 4.282 0.030 1 364 42 42 GLN HB2 H 2.097 0.030 2 365 42 42 GLN HB3 H 2.011 0.030 2 366 42 42 GLN HE21 H 7.495 0.030 2 367 42 42 GLN HE22 H 6.838 0.030 2 368 42 42 GLN HG2 H 2.356 0.030 1 369 42 42 GLN HG3 H 2.356 0.030 1 370 42 42 GLN CA C 56.042 0.300 1 371 42 42 GLN CB C 29.119 0.300 1 372 42 42 GLN CG C 33.947 0.300 1 373 42 42 GLN N N 120.457 0.300 1 374 42 42 GLN NE2 N 112.266 0.300 1 375 43 43 LEU HA H 4.343 0.030 1 376 43 43 LEU HB2 H 1.637 0.030 1 377 43 43 LEU HB3 H 1.637 0.030 1 378 43 43 LEU HD2 H 0.874 0.030 1 379 43 43 LEU C C 177.748 0.300 1 380 43 43 LEU CA C 55.399 0.300 1 381 43 43 LEU CB C 42.284 0.300 1 382 43 43 LEU CD2 C 23.352 0.300 2 383 43 43 LEU CG C 26.261 0.300 1 384 44 44 GLY H H 8.476 0.030 1 385 44 44 GLY HA2 H 3.972 0.030 1 386 44 44 GLY HA3 H 3.972 0.030 1 387 44 44 GLY C C 173.754 0.300 1 388 44 44 GLY CA C 45.367 0.300 1 389 44 44 GLY N N 110.279 0.300 1 390 45 45 TYR H H 7.896 0.030 1 391 45 45 TYR HA H 4.563 0.030 1 392 45 45 TYR HB2 H 3.016 0.030 2 393 45 45 TYR HB3 H 2.960 0.030 2 394 45 45 TYR HD1 H 7.061 0.030 1 395 45 45 TYR HD2 H 7.061 0.030 1 396 45 45 TYR HE1 H 6.807 0.030 1 397 45 45 TYR HE2 H 6.807 0.030 1 398 45 45 TYR C C 175.373 0.300 1 399 45 45 TYR CA C 57.931 0.300 1 400 45 45 TYR CB C 38.763 0.300 1 401 45 45 TYR CD1 C 133.123 0.300 1 402 45 45 TYR CD2 C 133.123 0.300 1 403 45 45 TYR CE1 C 118.271 0.300 1 404 45 45 TYR CE2 C 118.271 0.300 1 405 45 45 TYR N N 119.670 0.300 1 406 46 46 ILE H H 7.902 0.030 1 407 46 46 ILE HA H 4.121 0.030 1 408 46 46 ILE HB H 1.776 0.030 1 409 46 46 ILE HD1 H 0.870 0.030 1 410 46 46 ILE HG12 H 1.406 0.030 2 411 46 46 ILE HG13 H 1.097 0.030 2 412 46 46 ILE HG2 H 0.846 0.030 1 413 46 46 ILE C C 175.050 0.300 1 414 46 46 ILE CA C 60.895 0.300 1 415 46 46 ILE CB C 39.252 0.300 1 416 46 46 ILE CD1 C 13.010 0.300 1 417 46 46 ILE CG1 C 27.179 0.300 1 418 46 46 ILE CG2 C 17.489 0.300 1 419 46 46 ILE N N 122.287 0.300 1 420 47 47 ASP H H 8.247 0.030 1 421 47 47 ASP HA H 4.592 0.030 1 422 47 47 ASP HB2 H 2.687 0.030 2 423 47 47 ASP HB3 H 2.533 0.030 2 424 47 47 ASP C C 175.290 0.300 1 425 47 47 ASP CA C 54.133 0.300 1 426 47 47 ASP CB C 41.352 0.300 1 427 47 47 ASP N N 123.930 0.300 1 428 48 48 LEU H H 8.031 0.030 1 429 48 48 LEU HA H 4.606 0.030 1 430 48 48 LEU HB2 H 1.542 0.030 1 431 48 48 LEU HB3 H 1.542 0.030 1 432 48 48 LEU HD1 H 0.910 0.030 1 433 48 48 LEU HD2 H 0.889 0.030 1 434 48 48 LEU HG H 1.639 0.030 1 435 48 48 LEU C C 174.551 0.300 1 436 48 48 LEU CA C 52.820 0.300 1 437 48 48 LEU CB C 42.232 0.300 1 438 48 48 LEU CD1 C 25.259 0.300 2 439 48 48 LEU CD2 C 23.501 0.300 2 440 48 48 LEU CG C 26.960 0.300 1 441 48 48 LEU N N 123.908 0.300 1 442 49 49 PRO HA H 4.585 0.030 1 443 49 49 PRO HB2 H 2.404 0.030 2 444 49 49 PRO HB3 H 2.181 0.030 2 445 49 49 PRO HD2 H 3.590 0.030 2 446 49 49 PRO HD3 H 3.809 0.030 2 447 49 49 PRO HG2 H 1.945 0.030 2 448 49 49 PRO HG3 H 1.869 0.030 2 449 49 49 PRO CA C 62.369 0.300 1 450 49 49 PRO CB C 34.764 0.300 1 451 49 49 PRO CD C 50.456 0.300 1 452 49 49 PRO CG C 24.755 0.300 1 453 50 50 PRO HA H 4.678 0.030 1 454 50 50 PRO HB2 H 2.324 0.030 2 455 50 50 PRO HB3 H 1.894 0.030 2 456 50 50 PRO HD2 H 3.821 0.030 2 457 50 50 PRO HD3 H 3.615 0.030 2 458 50 50 PRO HG2 H 2.025 0.030 1 459 50 50 PRO HG3 H 2.025 0.030 1 460 50 50 PRO CA C 61.338 0.300 1 461 50 50 PRO CB C 30.766 0.300 1 462 50 50 PRO CD C 50.560 0.300 1 463 50 50 PRO CG C 27.352 0.300 1 464 51 51 PRO HA H 4.411 0.030 1 465 51 51 PRO HB2 H 2.278 0.030 2 466 51 51 PRO HB3 H 1.840 0.030 2 467 51 51 PRO HD2 H 3.818 0.030 1 468 51 51 PRO HD3 H 3.818 0.030 1 469 51 51 PRO HG2 H 2.008 0.030 1 470 51 51 PRO HG3 H 2.008 0.030 1 471 51 51 PRO C C 176.583 0.300 1 472 51 51 PRO CA C 62.920 0.300 1 473 51 51 PRO CB C 32.170 0.300 1 474 51 51 PRO CD C 50.560 0.300 1 475 51 51 PRO CG C 27.377 0.300 1 476 52 52 ARG H H 8.390 0.030 1 477 52 52 ARG HA H 4.334 0.030 1 478 52 52 ARG HB2 H 1.815 0.030 2 479 52 52 ARG HB3 H 1.750 0.030 2 480 52 52 ARG HD2 H 3.211 0.030 1 481 52 52 ARG HD3 H 3.211 0.030 1 482 52 52 ARG HG2 H 1.661 0.030 2 483 52 52 ARG HG3 H 1.614 0.030 2 484 52 52 ARG C C 175.749 0.300 1 485 52 52 ARG CA C 55.843 0.300 1 486 52 52 ARG CB C 30.889 0.300 1 487 52 52 ARG CD C 43.377 0.300 1 488 52 52 ARG CG C 27.224 0.300 1 489 52 52 ARG N N 121.407 0.300 1 490 53 53 LEU H H 8.339 0.030 1 491 53 53 LEU HA H 4.465 0.030 1 492 53 53 LEU HB2 H 1.684 0.030 2 493 53 53 LEU HB3 H 1.396 0.030 2 494 53 53 LEU HD1 H 0.891 0.030 1 495 53 53 LEU HD2 H 0.760 0.030 1 496 53 53 LEU HG H 1.612 0.030 1 497 53 53 LEU C C 178.005 0.300 1 498 53 53 LEU CA C 54.626 0.300 1 499 53 53 LEU CB C 43.102 0.300 1 500 53 53 LEU CD1 C 24.787 0.300 2 501 53 53 LEU CD2 C 22.958 0.300 2 502 53 53 LEU CG C 27.070 0.300 1 503 53 53 LEU N N 123.347 0.300 1 504 54 54 GLY H H 8.540 0.030 1 505 54 54 GLY HA2 H 3.954 0.030 2 506 54 54 GLY HA3 H 4.146 0.030 2 507 54 54 GLY C C 174.892 0.300 1 508 54 54 GLY CA C 44.650 0.300 1 509 54 54 GLY N N 109.309 0.300 1 510 55 55 GLU H H 8.578 0.030 1 511 55 55 GLU HA H 4.198 0.030 1 512 55 55 GLU HB2 H 1.996 0.030 2 513 55 55 GLU HB3 H 2.069 0.030 2 514 55 55 GLU HG2 H 2.290 0.030 1 515 55 55 GLU HG3 H 2.290 0.030 1 516 55 55 GLU C C 176.713 0.300 1 517 55 55 GLU CA C 57.753 0.300 1 518 55 55 GLU CB C 29.832 0.300 1 519 55 55 GLU CG C 36.394 0.300 1 520 55 55 GLU N N 121.145 0.300 1 521 56 56 ASN H H 8.386 0.030 1 522 56 56 ASN HA H 4.652 0.030 1 523 56 56 ASN HB2 H 2.891 0.030 2 524 56 56 ASN HB3 H 2.960 0.030 2 525 56 56 ASN HD21 H 7.648 0.030 2 526 56 56 ASN HD22 H 6.966 0.030 2 527 56 56 ASN C C 175.677 0.300 1 528 56 56 ASN CA C 52.998 0.300 1 529 56 56 ASN CB C 38.278 0.300 1 530 56 56 ASN N N 117.077 0.300 1 531 56 56 ASN ND2 N 112.334 0.300 1 532 57 57 GLY H H 8.235 0.030 1 533 57 57 GLY HA2 H 4.025 0.030 2 534 57 57 GLY HA3 H 3.795 0.030 2 535 57 57 GLY C C 173.235 0.300 1 536 57 57 GLY CA C 45.539 0.300 1 537 57 57 GLY N N 107.753 0.300 1 538 58 58 LEU H H 7.709 0.030 1 539 58 58 LEU HA H 4.726 0.030 1 540 58 58 LEU HB2 H 1.622 0.030 2 541 58 58 LEU HB3 H 1.523 0.030 2 542 58 58 LEU HD1 H 0.912 0.030 1 543 58 58 LEU HD2 H 0.916 0.030 1 544 58 58 LEU HG H 1.563 0.030 1 545 58 58 LEU C C 175.087 0.300 1 546 58 58 LEU CA C 52.653 0.300 1 547 58 58 LEU CB C 41.587 0.300 1 548 58 58 LEU CD1 C 24.791 0.300 2 549 58 58 LEU CD2 C 25.220 0.300 2 550 58 58 LEU CG C 27.051 0.300 1 551 58 58 LEU N N 121.451 0.300 1 552 59 59 PRO HA H 4.570 0.030 1 553 59 59 PRO HB2 H 2.268 0.030 2 554 59 59 PRO HB3 H 1.880 0.030 2 555 59 59 PRO HD2 H 3.625 0.030 2 556 59 59 PRO HD3 H 3.849 0.030 2 557 59 59 PRO HG2 H 1.965 0.030 2 558 59 59 PRO HG3 H 2.068 0.030 2 559 59 59 PRO C C 176.956 0.300 1 560 59 59 PRO CA C 63.123 0.300 1 561 59 59 PRO CB C 32.024 0.300 1 562 59 59 PRO CD C 50.454 0.300 1 563 59 59 PRO CG C 27.652 0.300 1 564 60 60 ILE H H 8.298 0.030 1 565 60 60 ILE HA H 4.169 0.030 1 566 60 60 ILE HB H 1.814 0.030 1 567 60 60 ILE HD1 H 0.830 0.030 1 568 60 60 ILE HG12 H 1.470 0.030 2 569 60 60 ILE HG13 H 1.151 0.030 2 570 60 60 ILE HG2 H 0.912 0.030 1 571 60 60 ILE C C 176.322 0.300 1 572 60 60 ILE CA C 61.310 0.300 1 573 60 60 ILE CB C 39.003 0.300 1 574 60 60 ILE CD1 C 13.173 0.300 1 575 60 60 ILE CG1 C 27.347 0.300 1 576 60 60 ILE CG2 C 17.598 0.300 1 577 60 60 ILE N N 121.658 0.300 1 578 61 61 SER H H 8.366 0.030 1 579 61 61 SER HA H 4.525 0.030 1 580 61 61 SER HB2 H 3.931 0.030 2 581 61 61 SER HB3 H 3.850 0.030 2 582 61 61 SER C C 174.349 0.300 1 583 61 61 SER CA C 58.231 0.300 1 584 61 61 SER CB C 64.166 0.300 1 585 61 61 SER N N 119.689 0.300 1 586 62 62 GLY H H 8.248 0.030 1 587 62 62 GLY HA2 H 4.175 0.030 2 588 62 62 GLY HA3 H 4.104 0.030 2 589 62 62 GLY C C 171.643 0.300 1 590 62 62 GLY CA C 44.683 0.300 1 591 62 62 GLY N N 110.787 0.300 1 592 63 63 PRO HA H 4.485 0.030 1 593 63 63 PRO HB2 H 2.301 0.030 2 594 63 63 PRO HB3 H 1.984 0.030 2 595 63 63 PRO HD2 H 3.635 0.030 1 596 63 63 PRO HD3 H 3.635 0.030 1 597 63 63 PRO HG2 H 1.838 0.030 2 598 63 63 PRO HG3 H 1.995 0.030 2 599 63 63 PRO C C 177.324 0.300 1 600 63 63 PRO CA C 63.322 0.300 1 601 63 63 PRO CB C 32.229 0.300 1 602 63 63 PRO CD C 49.783 0.300 1 603 63 63 PRO CG C 27.211 0.300 1 604 64 64 SER H H 8.529 0.030 1 605 64 64 SER HA H 4.464 0.030 1 606 64 64 SER HB2 H 3.918 0.030 1 607 64 64 SER HB3 H 3.918 0.030 1 608 64 64 SER C C 174.613 0.300 1 609 64 64 SER CA C 58.838 0.300 1 610 64 64 SER CB C 63.997 0.300 1 611 64 64 SER N N 116.352 0.300 1 stop_ save_