data_15289 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N chemical shift assignment of the THAP domain 1-81 from human THAP1 protein ; _BMRB_accession_number 15289 _BMRB_flat_file_name bmr15289.str _Entry_type original _Submission_date 2007-06-06 _Accession_date 2007-06-06 _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 BESSIERE Damien . . 2 CAMPAGNE Sebastien . . 3 MILON Alain . . 4 GERVAIS Virginie . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 508 "15N chemical shifts" 75 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-10-31 update BMRB 'change shift 29 ARG NH1 7.414 to HH11' 2008-02-21 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15300 'THAP domain 1-90 from human THAP1 protein' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure-Function Analysis of the THAP Zinc Finger of THAP1, a Large C2CH DNA-binding Module Linked to Rb/E2F Pathways. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18073205 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bessiere Damien . . 2 Lacroix Chrystelle . . 3 Campagne Sebastien . . 4 Ecochard Vincent . . 5 Guillet Valerie . . 6 Mourey Lionel . . 7 Lopez Frederic . . 8 Czaplicki J. . . 9 Demange Pascal . . 10 Milon Alain . . 11 Cirard Jean-Philippe . . 12 Gervais Virginie . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 283 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4352 _Page_last 4363 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'THAP domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'THAP domain polypeptide' $THAP_domain '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_THAP_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common THAP_domain _Molecular_mass . _Mol_thiol_state 'free and other bound' loop_ _Biological_function 'cell proliferation' 'transcription factor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 87 _Mol_residue_sequence ; MVQSCSAYGCKNRYDKDKPV SFHKFPLTRPSLCKEWEAAV RRKNFKPTKYSSICSEHFTP DCFKRECNNKLLKENAVPTI FLELVPR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 VAL 3 GLN 4 SER 5 CYS 6 SER 7 ALA 8 TYR 9 GLY 10 CYS 11 LYS 12 ASN 13 ARG 14 TYR 15 ASP 16 LYS 17 ASP 18 LYS 19 PRO 20 VAL 21 SER 22 PHE 23 HIS 24 LYS 25 PHE 26 PRO 27 LEU 28 THR 29 ARG 30 PRO 31 SER 32 LEU 33 CYS 34 LYS 35 GLU 36 TRP 37 GLU 38 ALA 39 ALA 40 VAL 41 ARG 42 ARG 43 LYS 44 ASN 45 PHE 46 LYS 47 PRO 48 THR 49 LYS 50 TYR 51 SER 52 SER 53 ILE 54 CYS 55 SER 56 GLU 57 HIS 58 PHE 59 THR 60 PRO 61 ASP 62 CYS 63 PHE 64 LYS 65 ARG 66 GLU 67 CYS 68 ASN 69 ASN 70 LYS 71 LEU 72 LEU 73 LYS 74 GLU 75 ASN 76 ALA 77 VAL 78 PRO 79 THR 80 ILE 81 PHE 82 LEU 83 GLU 84 LEU 85 VAL 86 PRO 87 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 BMRB 16485 THAP_domain 100.00 87 97.70 97.70 1.58e-54 PDB 2JTG "Solution Structure Of The Thap-Zinc Finger Of Thap1" 100.00 87 100.00 100.00 2.35e-56 PDB 2KO0 "Solution Structure Of The Thap Zinc Finger Of Thap1 In Complex With Its Dna Target" 100.00 87 97.70 97.70 1.58e-54 PDB 2L1G "Rdc Refined Solution Structure Of The Thap Zinc Finger Of Thap1 In Complex With Its 16bp Rrm1 Dna Target" 100.00 87 97.70 97.70 1.58e-54 DBJ BAA91635 "unnamed protein product [Homo sapiens]" 94.25 213 100.00 100.00 2.90e-52 DBJ BAD96951 "THAP domain containing, apoptosis associated protein 1 isoform 1 variant [Homo sapiens]" 94.25 213 100.00 100.00 3.53e-52 DBJ BAE02260 "unnamed protein product [Macaca fascicularis]" 94.25 212 98.78 98.78 1.96e-51 DBJ BAI45652 "THAP domain containing, apoptosis associated protein 1 [synthetic construct]" 94.25 213 100.00 100.00 2.90e-52 EMBL CAG33537 "THAP1 [Homo sapiens]" 94.25 213 100.00 100.00 3.34e-52 EMBL CAH90563 "hypothetical protein [Pongo abelii]" 94.25 213 100.00 100.00 2.90e-52 GB AAH21721 "THAP domain containing, apoptosis associated protein 1 [Homo sapiens]" 94.25 213 100.00 100.00 2.90e-52 GB AAI02410 "THAP domain containing, apoptosis associated protein 1 [Bos taurus]" 94.25 213 97.56 100.00 5.11e-51 GB ADZ15806 "THAP domain containing, apoptosis associated protein 1 [synthetic construct]" 94.25 213 100.00 100.00 2.90e-52 GB AIC51723 "THAP1, partial [synthetic construct]" 94.25 213 100.00 100.00 2.90e-52 GB AKI69887 "THAP1, partial [synthetic construct]" 94.25 213 98.78 98.78 1.46e-51 REF NP_001029820 "THAP domain-containing protein 1 [Bos taurus]" 94.25 213 97.56 100.00 5.11e-51 REF NP_001125299 "THAP domain-containing protein 1 [Pongo abelii]" 94.25 213 100.00 100.00 2.90e-52 REF NP_001244808 "THAP domain-containing protein 1 [Macaca mulatta]" 94.25 212 100.00 100.00 3.08e-52 REF NP_001271632 "THAP domain-containing protein 1 [Macaca fascicularis]" 94.25 212 98.78 98.78 1.96e-51 REF NP_060575 "THAP domain-containing protein 1 isoform 1 [Homo sapiens]" 94.25 213 100.00 100.00 2.90e-52 SP Q3T0G1 "RecName: Full=THAP domain-containing protein 1" 94.25 213 97.56 100.00 5.11e-51 SP Q4R3Q6 "RecName: Full=THAP domain-containing protein 1" 94.25 212 98.78 98.78 1.96e-51 SP Q5RCE4 "RecName: Full=THAP domain-containing protein 1 [Pongo abelii]" 94.25 213 100.00 100.00 2.90e-52 SP Q9NVV9 "RecName: Full=THAP domain-containing protein 1" 94.25 213 100.00 100.00 2.90e-52 TPG DAA14452 "TPA: THAP domain-containing protein 1 [Bos taurus]" 94.25 213 97.56 100.00 5.11e-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 Fri Oct 14 14:31:22 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 $THAP_domain 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 $THAP_domain 'recombinant technology' . Escherichia coli . pet26bII stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_U _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $THAP_domain 1 mM 'natural abundance' NaCl 10 mM 'natural abundance' Tris 50 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ save_sample_U-15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $THAP_domain 1 mM [U-15N] NaCl 10 mM 'natural abundance' Tris 50 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details cryoprobe save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details cryoprobe save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_U save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_U save_ save_2D_1H-1H_COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_U save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_U-15N save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_U-15N save_ save_3D_1H-15N_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_U-15N save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 6.8 . pH pressure 1 . atm temperature 296 . K 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 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_assigned_chem_shift_list_1H _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XEASY $NMRView stop_ loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '2D 1H-1H COSY' '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $sample_U $sample_U-15N stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'THAP domain polypeptide' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 VAL H H 8.618 0.04 1 2 2 2 VAL HA H 3.911 0.001 1 3 2 2 VAL HB H 1.371 0.04 1 4 2 2 VAL HG1 H 0.863 0.04 2 5 2 2 VAL HG2 H 0.830 0.003 2 6 2 2 VAL N N 124.988 0.1 1 7 3 3 GLN H H 7.630 0.002 1 8 3 3 GLN HA H 4.295 0.003 1 9 3 3 GLN HB2 H 1.624 0.006 2 10 3 3 GLN HB3 H 1.571 0.005 2 11 3 3 GLN HG2 H 2.198 0.003 1 12 3 3 GLN HG3 H 2.198 0.036 1 13 3 3 GLN N N 117.905 0.1 1 14 4 4 SER H H 8.364 0.002 1 15 4 4 SER HA H 4.925 0.04 1 16 4 4 SER HB2 H 4.021 0.003 2 17 4 4 SER HB3 H 3.821 0.003 2 18 4 4 SER N N 117.226 0.1 1 19 5 5 CYS H H 8.556 0.004 1 20 5 5 CYS HA H 4.671 0.002 1 21 5 5 CYS HB2 H 3.241 0.003 2 22 5 5 CYS HB3 H 3.031 0.004 2 23 5 5 CYS N N 124.939 0.1 1 24 6 6 SER H H 9.296 0.004 1 25 6 6 SER HA H 4.689 0.004 1 26 6 6 SER HB2 H 4.125 0.003 2 27 6 6 SER HB3 H 4.028 0.003 2 28 6 6 SER N N 123.387 0.1 1 29 7 7 ALA H H 9.407 0.002 1 30 7 7 ALA HA H 3.901 0.002 1 31 7 7 ALA HB H 1.062 0.003 1 32 7 7 ALA N N 127.499 0.1 1 33 8 8 TYR H H 8.843 0.004 1 34 8 8 TYR HA H 4.064 0.002 1 35 8 8 TYR HB2 H 2.883 0.002 2 36 8 8 TYR HB3 H 2.802 0.003 2 37 8 8 TYR HD1 H 7.018 0.003 3 38 8 8 TYR HD2 H 7.018 0.003 3 39 8 8 TYR HE1 H 6.841 0.002 3 40 8 8 TYR HE2 H 6.841 0.002 3 41 8 8 TYR N N 125.223 0.1 1 42 9 9 GLY H H 8.337 0.005 1 43 9 9 GLY HA2 H 3.807 0.002 2 44 9 9 GLY HA3 H 3.285 0.003 2 45 9 9 GLY N N 115.186 0.1 1 46 10 10 CYS H H 7.719 0.002 1 47 10 10 CYS HA H 4.425 0.002 1 48 10 10 CYS HB2 H 2.759 0.004 2 49 10 10 CYS HB3 H 3.137 0.004 2 50 10 10 CYS N N 123.248 0.1 1 51 11 11 LYS H H 8.898 0.002 1 52 11 11 LYS HA H 4.575 0.002 1 53 11 11 LYS HB2 H 1.760 0.007 2 54 11 11 LYS HB3 H 1.682 0.004 2 55 11 11 LYS HD2 H 1.466 0.003 1 56 11 11 LYS HD3 H 1.466 0.003 1 57 11 11 LYS HE2 H 2.982 0.005 1 58 11 11 LYS HE3 H 2.982 0.005 1 59 11 11 LYS HG2 H 2.106 0.003 1 60 11 11 LYS HG3 H 2.106 0.003 1 61 11 11 LYS N N 128.697 0.1 1 62 12 12 ASN H H 8.849 0.002 1 63 12 12 ASN HA H 4.817 0.04 1 64 12 12 ASN HB2 H 3.190 0.003 2 65 12 12 ASN HB3 H 2.687 0.003 2 66 12 12 ASN HD21 H 8.744 0.003 1 67 12 12 ASN HD22 H 7.356 0.003 1 68 12 12 ASN N N 122.597 0.1 1 69 12 12 ASN ND2 N 119.636 0.1 1 70 13 13 ARG H H 8.563 0.002 1 71 13 13 ARG HA H 4.845 0.003 1 72 13 13 ARG HB2 H 1.782 0.003 2 73 13 13 ARG HB3 H 1.691 0.003 2 74 13 13 ARG HD2 H 3.965 0.003 1 75 13 13 ARG HD3 H 3.965 0.003 1 76 13 13 ARG HG2 H 1.297 0.003 1 77 13 13 ARG HG3 H 1.297 0.003 1 78 13 13 ARG N N 121.201 0.1 1 79 14 14 TYR H H 7.908 0.004 1 80 14 14 TYR HA H 3.776 0.002 1 81 14 14 TYR HB2 H 2.513 0.004 2 82 14 14 TYR HB3 H 2.235 0.004 2 83 14 14 TYR HD1 H 7.034 0.003 3 84 14 14 TYR HD2 H 7.034 0.003 3 85 14 14 TYR HE1 H 6.901 0.003 3 86 14 14 TYR HE2 H 6.901 0.003 3 87 14 14 TYR N N 122.878 0.1 1 88 15 15 ASP H H 7.279 0.003 1 89 15 15 ASP HA H 4.282 0.003 1 90 15 15 ASP HB2 H 2.538 0.002 2 91 15 15 ASP HB3 H 2.495 0.002 2 92 15 15 ASP N N 127.645 0.1 1 93 16 16 LYS H H 8.686 0.002 1 94 16 16 LYS HA H 4.046 0.003 1 95 16 16 LYS HB2 H 1.858 0.003 2 96 16 16 LYS HB3 H 1.832 0.005 2 97 16 16 LYS HD2 H 1.450 0.002 1 98 16 16 LYS HD3 H 1.450 0.002 1 99 16 16 LYS HE2 H 3.050 0.003 1 100 16 16 LYS HE3 H 3.050 0.003 1 101 16 16 LYS HG2 H 1.364 0.003 1 102 16 16 LYS HG3 H 1.364 0.003 1 103 16 16 LYS N N 126.995 0.1 1 104 17 17 ASP H H 8.632 0.002 1 105 17 17 ASP HA H 4.771 0.04 1 106 17 17 ASP HB2 H 2.842 0.003 2 107 17 17 ASP HB3 H 2.525 0.003 2 108 17 17 ASP N N 118.836 0.1 1 109 18 18 LYS H H 7.833 0.002 1 110 18 18 LYS HA H 4.842 0.04 1 111 18 18 LYS HB2 H 1.876 0.002 2 112 18 18 LYS HB3 H 1.837 0.003 2 113 18 18 LYS HD2 H 1.306 0.002 1 114 18 18 LYS HD3 H 1.306 0.002 1 115 18 18 LYS HE2 H 2.968 0.003 1 116 18 18 LYS HE3 H 2.968 0.003 1 117 18 18 LYS HG2 H 1.291 0.002 1 118 18 18 LYS HG3 H 1.291 0.002 1 119 18 18 LYS N N 120.435 0.1 1 120 19 19 PRO HA H 4.635 0.04 1 121 19 19 PRO HB2 H 2.230 0.003 2 122 19 19 PRO HB3 H 1.961 0.003 2 123 19 19 PRO HD2 H 3.703 0.003 2 124 19 19 PRO HD3 H 3.677 0.003 2 125 19 19 PRO HG2 H 2.052 0.003 2 126 19 19 PRO HG3 H 1.852 0.004 2 127 20 20 VAL H H 7.261 0.002 1 128 20 20 VAL HA H 3.847 0.003 1 129 20 20 VAL HB H 1.905 0.002 1 130 20 20 VAL HG1 H 0.833 0.002 2 131 20 20 VAL HG2 H 0.796 0.002 2 132 20 20 VAL N N 122.772 0.1 1 133 21 21 SER H H 8.563 0.04 1 134 21 21 SER HA H 4.964 0.04 1 135 21 21 SER HB2 H 3.956 0.004 2 136 21 21 SER HB3 H 3.752 0.003 2 137 21 21 SER N N 122.589 0.1 1 138 22 22 PHE H H 8.588 0.04 1 139 22 22 PHE HA H 4.414 0.001 1 140 22 22 PHE HB2 H 2.752 0.004 1 141 22 22 PHE HB3 H 2.752 0.002 1 142 22 22 PHE HD1 H 7.162 0.002 3 143 22 22 PHE HD2 H 7.162 0.002 3 144 22 22 PHE HE1 H 7.122 0.003 3 145 22 22 PHE HE2 H 7.122 0.003 3 146 22 22 PHE HZ H 6.683 0.003 1 147 22 22 PHE N N 118.236 0.1 1 148 23 23 HIS H H 8.451 0.002 1 149 23 23 HIS HA H 4.772 0.001 1 150 23 23 HIS HB2 H 3.349 0.005 2 151 23 23 HIS HB3 H 3.326 0.003 2 152 23 23 HIS HD2 H 6.638 0.002 1 153 23 23 HIS HE1 H 7.850 0.003 1 154 23 23 HIS N N 124.071 0.1 1 155 24 24 LYS H H 8.818 0.001 1 156 24 24 LYS HA H 4.860 0.04 1 157 24 24 LYS HB2 H 1.875 0.003 2 158 24 24 LYS HB3 H 1.841 0.003 2 159 24 24 LYS HD2 H 1.651 0.003 1 160 24 24 LYS HD3 H 1.651 0.003 1 161 24 24 LYS HE2 H 3.094 0.003 1 162 24 24 LYS HE3 H 3.094 0.003 1 163 24 24 LYS HG2 H 2.192 0.003 1 164 24 24 LYS HG3 H 2.192 0.003 1 165 24 24 LYS N N 124.791 0.1 1 166 25 25 PHE H H 8.368 0.002 1 167 25 25 PHE HA H 3.995 0.002 1 168 25 25 PHE HB2 H 3.099 0.003 1 169 25 25 PHE HB3 H 3.099 0.003 1 170 25 25 PHE HD1 H 7.633 0.003 3 171 25 25 PHE HD2 H 7.633 0.003 3 172 25 25 PHE HE1 H 7.388 0.002 3 173 25 25 PHE HE2 H 7.388 0.002 3 174 25 25 PHE HZ H 7.361 0.003 1 175 25 25 PHE N N 118.965 0.1 1 176 26 26 PRO HA H 2.247 0.003 1 177 26 26 PRO HB2 H 1.255 0.003 1 178 26 26 PRO HB3 H 1.255 0.003 1 179 26 26 PRO HG2 H 0.578 0.005 1 180 26 26 PRO HG3 H 0.578 0.005 1 181 27 27 LEU H H 8.007 0.04 1 182 27 27 LEU HA H 4.345 0.003 1 183 27 27 LEU HB2 H 2.039 0.003 2 184 27 27 LEU HB3 H 2.024 0.003 2 185 27 27 LEU HD1 H 0.928 0.003 2 186 27 27 LEU HD2 H 0.894 0.003 2 187 27 27 LEU HG H 1.564 0.04 1 188 27 27 LEU N N 122.663 0.1 1 189 28 28 THR H H 7.689 0.003 1 190 28 28 THR HA H 4.295 0.003 1 191 28 28 THR HB H 4.564 0.003 1 192 28 28 THR HG2 H 1.206 0.007 1 193 28 28 THR N N 104.411 0.1 1 194 29 29 ARG H H 7.718 0.04 1 195 29 29 ARG HA H 4.939 0.04 1 196 29 29 ARG HB2 H 1.983 0.003 2 197 29 29 ARG HB3 H 1.829 0.003 2 198 29 29 ARG HD2 H 3.200 0.003 1 199 29 29 ARG HD3 H 3.200 0.003 1 200 29 29 ARG HG2 H 1.588 0.003 1 201 29 29 ARG HG3 H 1.588 0.003 1 202 29 29 ARG N N 123.031 0.1 1 203 29 29 ARG HH11 H 7.414 0.006 2 204 30 30 PRO HA H 4.118 0.003 1 205 30 30 PRO HB2 H 2.423 0.003 2 206 30 30 PRO HB3 H 2.384 0.003 2 207 30 30 PRO HD2 H 3.819 0.003 2 208 30 30 PRO HD3 H 3.605 0.003 2 209 30 30 PRO HG2 H 2.013 0.003 1 210 30 30 PRO HG3 H 2.013 0.003 1 211 31 31 SER H H 8.287 0.04 1 212 31 31 SER HA H 4.228 0.003 1 213 31 31 SER HB2 H 3.963 0.003 1 214 31 31 SER HB3 H 3.963 0.003 1 215 31 31 SER N N 113.706 0.1 1 216 32 32 LEU H H 7.265 0.002 1 217 32 32 LEU HA H 4.459 0.003 1 218 32 32 LEU HB2 H 1.800 0.003 2 219 32 32 LEU HB3 H 1.634 0.003 2 220 32 32 LEU HD1 H 1.078 0.003 2 221 32 32 LEU HD2 H 1.053 0.004 2 222 32 32 LEU HG H 1.573 0.003 1 223 32 32 LEU N N 124.957 0.1 1 224 33 33 CYS H H 8.963 0.002 1 225 33 33 CYS HA H 3.686 0.005 1 226 33 33 CYS HB2 H 3.139 0.002 2 227 33 33 CYS HB3 H 2.847 0.005 2 228 33 33 CYS N N 120.416 0.1 1 229 34 34 LYS H H 8.166 0.002 1 230 34 34 LYS HA H 4.186 0.003 1 231 34 34 LYS HB2 H 2.051 0.003 2 232 34 34 LYS HB3 H 1.993 0.003 2 233 34 34 LYS HD2 H 1.741 0.003 1 234 34 34 LYS HD3 H 1.741 0.003 1 235 34 34 LYS HE2 H 3.029 0.004 1 236 34 34 LYS HE3 H 3.029 0.004 1 237 34 34 LYS HG2 H 1.588 0.003 1 238 34 34 LYS HG3 H 1.588 0.003 1 239 34 34 LYS N N 117.734 0.1 1 240 35 35 GLU H H 7.582 0.002 1 241 35 35 GLU HA H 4.360 0.003 1 242 35 35 GLU HB2 H 2.601 0.004 1 243 35 35 GLU HB3 H 2.601 0.003 1 244 35 35 GLU HG2 H 2.397 0.004 2 245 35 35 GLU HG3 H 2.371 0.004 2 246 35 35 GLU N N 119.486 0.1 1 247 36 36 TRP H H 8.518 0.002 1 248 36 36 TRP HA H 4.109 0.002 1 249 36 36 TRP HB2 H 3.100 0.004 2 250 36 36 TRP HB3 H 3.692 0.002 2 251 36 36 TRP HE1 H 10.488 0.003 1 252 36 36 TRP HE3 H 7.442 0.003 1 253 36 36 TRP HH2 H 6.773 0.003 1 254 36 36 TRP HZ2 H 6.970 0.003 1 255 36 36 TRP HZ3 H 5.969 0.003 1 256 36 36 TRP N N 122.175 0.1 1 257 36 36 TRP NE1 N 128.660 0.1 1 258 37 37 GLU H H 9.122 0.003 1 259 37 37 GLU HA H 4.119 0.004 1 260 37 37 GLU HB2 H 2.382 0.003 2 261 37 37 GLU HB3 H 2.234 0.003 2 262 37 37 GLU HG2 H 2.881 0.003 1 263 37 37 GLU HG3 H 2.881 0.003 1 264 37 37 GLU N N 118.177 0.1 1 265 38 38 ALA H H 8.086 0.002 1 266 38 38 ALA HA H 4.189 0.002 1 267 38 38 ALA HB H 1.553 0.002 1 268 38 38 ALA N N 121.679 0.1 1 269 39 39 ALA H H 7.484 0.003 1 270 39 39 ALA HA H 3.789 0.04 1 271 39 39 ALA HB H 1.362 0.003 1 272 39 39 ALA N N 119.281 0.1 1 273 40 40 VAL H H 7.341 0.002 1 274 40 40 VAL HA H 3.301 0.001 1 275 40 40 VAL HB H 2.124 0.004 1 276 40 40 VAL HG1 H 0.829 0.003 2 277 40 40 VAL HG2 H 0.624 0.003 2 278 40 40 VAL N N 113.721 0.1 1 279 41 41 ARG H H 7.331 0.002 1 280 41 41 ARG HA H 3.774 0.003 1 281 41 41 ARG HB2 H 1.460 0.003 2 282 41 41 ARG HB3 H 1.443 0.003 2 283 41 41 ARG HD2 H 3.290 0.04 1 284 41 41 ARG HD3 H 3.290 0.04 1 285 41 41 ARG HG2 H 1.692 0.003 1 286 41 41 ARG HG3 H 1.692 0.003 1 287 41 41 ARG N N 115.004 0.1 1 288 42 42 ARG H H 8.246 0.002 1 289 42 42 ARG HA H 4.555 0.04 1 290 42 42 ARG HB2 H 1.630 0.003 2 291 42 42 ARG HB3 H 1.570 0.003 2 292 42 42 ARG HD2 H 2.880 0.04 1 293 42 42 ARG HD3 H 2.880 0.04 1 294 42 42 ARG HG2 H 1.429 0.002 1 295 42 42 ARG HG3 H 1.429 0.002 1 296 42 42 ARG N N 118.478 0.1 1 297 43 43 LYS H H 8.585 0.04 1 298 43 43 LYS HA H 4.136 0.003 1 299 43 43 LYS HB2 H 1.812 0.007 1 300 43 43 LYS HB3 H 1.812 0.007 1 301 43 43 LYS HD2 H 1.637 0.003 1 302 43 43 LYS HD3 H 1.637 0.003 1 303 43 43 LYS HE2 H 2.872 0.003 1 304 43 43 LYS HE3 H 2.872 0.003 1 305 43 43 LYS HG2 H 1.082 0.04 1 306 43 43 LYS HG3 H 1.082 0.04 1 307 43 43 LYS N N 125.008 0.1 1 308 44 44 ASN H H 9.009 0.04 1 309 44 44 ASN HA H 4.457 0.003 1 310 44 44 ASN HB2 H 2.916 0.002 2 311 44 44 ASN HB3 H 2.975 0.002 2 312 44 44 ASN HD21 H 7.648 0.004 1 313 44 44 ASN HD22 H 6.971 0.003 1 314 44 44 ASN ND2 N 113.362 0.1 1 315 45 45 PHE H H 7.844 0.002 1 316 45 45 PHE HA H 4.562 0.006 1 317 45 45 PHE HB2 H 2.978 0.004 2 318 45 45 PHE HB3 H 2.867 0.003 2 319 45 45 PHE HD1 H 7.162 0.003 3 320 45 45 PHE HD2 H 7.162 0.003 3 321 45 45 PHE HE1 H 7.222 0.003 3 322 45 45 PHE HE2 H 7.222 0.003 3 323 45 45 PHE HZ H 6.888 0.002 1 324 45 45 PHE N N 119.957 0.1 1 325 46 46 LYS H H 7.524 0.002 1 326 46 46 LYS HA H 4.329 0.006 1 327 46 46 LYS HB2 H 1.504 0.003 2 328 46 46 LYS HB3 H 1.433 0.003 2 329 46 46 LYS HD2 H 1.256 0.002 1 330 46 46 LYS HD3 H 1.256 0.002 1 331 46 46 LYS HE2 H 2.910 0.002 1 332 46 46 LYS HE3 H 2.910 0.002 1 333 46 46 LYS HG2 H 1.183 0.002 1 334 46 46 LYS HG3 H 1.183 0.002 1 335 46 46 LYS N N 129.230 0.1 1 336 47 47 PRO HA H 3.864 0.004 1 337 47 47 PRO HB2 H 1.624 0.003 2 338 47 47 PRO HB3 H 1.378 0.003 2 339 47 47 PRO HD2 H 3.435 0.003 2 340 47 47 PRO HD3 H 2.913 0.004 2 341 47 47 PRO HG2 H 0.867 0.04 1 342 47 47 PRO HG3 H 0.867 0.04 1 343 48 48 THR H H 8.565 0.002 1 344 48 48 THR HA H 4.584 0.002 1 345 48 48 THR HB H 4.608 0.04 1 346 48 48 THR HG2 H 1.198 0.003 1 347 48 48 THR N N 111.141 0.1 1 348 49 49 LYS H H 8.066 0.04 1 349 49 49 LYS HA H 4.129 0.003 1 350 49 49 LYS HB2 H 1.662 0.003 2 351 49 49 LYS HB3 H 1.520 0.003 2 352 49 49 LYS HD2 H 1.028 0.003 1 353 49 49 LYS HD3 H 1.028 0.003 1 354 49 49 LYS HE2 H 2.806 0.002 2 355 49 49 LYS HE3 H 2.806 0.002 2 356 49 49 LYS HG2 H 0.564 0.003 1 357 49 49 LYS HG3 H 0.564 0.004 1 358 50 50 TYR H H 8.088 0.002 1 359 50 50 TYR HA H 4.643 0.008 1 360 50 50 TYR HB2 H 3.366 0.005 2 361 50 50 TYR HB3 H 2.670 0.003 2 362 50 50 TYR HD1 H 7.172 0.002 3 363 50 50 TYR HD2 H 7.172 0.002 3 364 50 50 TYR HE1 H 6.867 0.002 3 365 50 50 TYR HE2 H 6.867 0.002 3 366 50 50 TYR N N 116.696 0.1 1 367 51 51 SER H H 7.648 0.003 1 368 51 51 SER HA H 4.751 0.04 1 369 51 51 SER HB2 H 3.953 0.003 1 370 51 51 SER HB3 H 3.953 0.003 1 371 51 51 SER N N 117.919 0.1 1 372 52 52 SER H H 9.583 0.002 1 373 52 52 SER HA H 5.832 0.003 1 374 52 52 SER HB2 H 3.969 0.002 2 375 52 52 SER HB3 H 3.950 0.002 2 376 52 52 SER N N 118.960 0.1 1 377 53 53 ILE H H 9.552 0.002 1 378 53 53 ILE HA H 5.451 0.003 1 379 53 53 ILE HB H 1.872 0.003 1 380 53 53 ILE HD1 H 0.626 0.003 1 381 53 53 ILE HG12 H 1.366 0.002 2 382 53 53 ILE HG13 H 1.333 0.002 2 383 53 53 ILE HG2 H 0.899 0.003 1 384 53 53 ILE N N 122.764 0.1 1 385 54 54 CYS H H 10.477 0.004 1 386 54 54 CYS HA H 5.321 0.003 1 387 54 54 CYS HB2 H 2.418 0.003 2 388 54 54 CYS HB3 H 2.578 0.003 2 389 54 54 CYS N N 132.834 0.1 1 390 55 55 SER H H 8.753 0.005 1 391 55 55 SER HA H 4.276 0.001 1 392 55 55 SER HB2 H 4.149 0.002 1 393 55 55 SER HB3 H 4.149 0.002 1 394 55 55 SER N N 110.817 0.1 1 395 56 56 GLU H H 8.332 0.003 1 396 56 56 GLU HA H 4.079 0.003 1 397 56 56 GLU HB2 H 1.712 0.004 2 398 56 56 GLU HB3 H 1.328 0.003 2 399 56 56 GLU HG2 H 2.202 0.003 2 400 56 56 GLU HG3 H 2.075 0.003 2 401 56 56 GLU N N 121.592 0.1 1 402 57 57 HIS H H 6.828 0.003 1 403 57 57 HIS HA H 4.943 0.04 1 404 57 57 HIS HB2 H 1.899 0.002 2 405 57 57 HIS HB3 H 1.877 0.003 2 406 57 57 HIS HD1 H 11.318 0.003 1 407 57 57 HIS HD2 H 7.734 0.002 1 408 57 57 HIS HE1 H 7.927 0.005 1 409 57 57 HIS N N 113.034 0.1 1 410 57 57 HIS ND1 N 142.974 0.1 1 411 58 58 PHE H H 7.407 0.003 1 412 58 58 PHE HA H 5.118 0.002 1 413 58 58 PHE HB2 H 2.803 0.004 2 414 58 58 PHE HB3 H 2.710 0.003 2 415 58 58 PHE HD1 H 7.026 0.003 3 416 58 58 PHE HD2 H 7.026 0.003 3 417 58 58 PHE HE1 H 6.430 0.002 3 418 58 58 PHE HE2 H 6.430 0.002 3 419 58 58 PHE HZ H 6.013 0.003 1 420 58 58 PHE N N 118.691 0.1 1 421 59 59 THR H H 8.472 0.001 1 422 59 59 THR HA H 4.409 0.004 1 423 59 59 THR HB H 4.606 0.002 1 424 59 59 THR HG2 H 1.267 0.003 1 425 59 59 THR N N 114.755 0.1 1 426 60 60 PRO HA H 4.463 0.002 1 427 60 60 PRO HB2 H 2.467 0.003 2 428 60 60 PRO HB3 H 2.060 0.003 2 429 60 60 PRO HD2 H 3.876 0.003 2 430 60 60 PRO HD3 H 3.836 0.005 2 431 60 60 PRO HG2 H 2.195 0.003 1 432 60 60 PRO HG3 H 2.195 0.004 1 433 61 61 ASP H H 8.418 0.002 1 434 61 61 ASP HA H 4.588 0.04 1 435 61 61 ASP HB2 H 2.772 0.003 2 436 61 61 ASP HB3 H 2.690 0.003 2 437 61 61 ASP N N 113.722 0.1 1 438 62 62 CYS H H 8.030 0.002 1 439 62 62 CYS HA H 4.147 0.04 1 440 62 62 CYS HB2 H 2.596 0.003 2 441 62 62 CYS HB3 H 2.242 0.005 2 442 62 62 CYS N N 116.105 0.1 1 443 63 63 PHE H H 7.288 0.002 1 444 63 63 PHE HA H 5.018 0.04 1 445 63 63 PHE HB2 H 2.831 0.003 2 446 63 63 PHE HB3 H 2.777 0.003 2 447 63 63 PHE HD1 H 6.912 0.003 3 448 63 63 PHE HD2 H 6.912 0.003 3 449 63 63 PHE HE1 H 6.769 0.003 3 450 63 63 PHE HE2 H 6.769 0.003 3 451 63 63 PHE HZ H 6.968 0.003 1 452 63 63 PHE N N 115.822 0.1 1 453 64 64 LYS H H 8.564 0.04 1 454 64 64 LYS HA H 4.137 0.003 1 455 64 64 LYS HB2 H 1.792 0.003 1 456 64 64 LYS HB3 H 1.792 0.003 1 457 64 64 LYS HD2 H 1.769 0.003 1 458 64 64 LYS HD3 H 1.769 0.003 1 459 64 64 LYS HE2 H 2.989 0.004 1 460 64 64 LYS HE3 H 2.989 0.004 1 461 64 64 LYS HG2 H 1.687 0.003 1 462 64 64 LYS HG3 H 1.687 0.003 1 463 64 64 LYS N N 124.140 0.1 1 464 65 65 ARG H H 7.970 0.04 1 465 65 65 ARG HA H 4.149 0.006 1 466 65 65 ARG HB2 H 1.828 0.003 2 467 65 65 ARG HB3 H 1.703 0.003 2 468 65 65 ARG HD2 H 3.174 0.003 1 469 65 65 ARG HD3 H 3.174 0.003 1 470 65 65 ARG HG2 H 1.623 0.003 1 471 65 65 ARG HG3 H 1.623 0.003 1 472 65 65 ARG N N 127.071 0.1 1 473 67 67 CYS H H 7.886 0.003 1 474 67 67 CYS HA H 4.185 0.004 1 475 67 67 CYS HB2 H 1.551 0.04 1 476 67 67 CYS HB3 H 1.551 0.04 1 477 67 67 CYS N N 121.611 0.1 1 478 68 68 ASN H H 7.428 0.002 1 479 68 68 ASN HA H 3.657 0.003 1 480 68 68 ASN HB2 H 1.304 0.04 1 481 68 68 ASN HB3 H 1.304 0.04 1 482 68 68 ASN N N 118.450 0.1 1 483 69 69 ASN H H 7.820 0.04 1 484 69 69 ASN HA H 4.446 0.04 1 485 69 69 ASN HB2 H 2.924 0.04 2 486 69 69 ASN HB3 H 2.899 0.04 2 487 69 69 ASN N N 117.775 0.1 1 488 70 70 LYS H H 7.455 0.04 1 489 70 70 LYS HA H 4.341 0.04 1 490 70 70 LYS HB2 H 1.483 0.003 2 491 70 70 LYS HB3 H 1.421 0.009 2 492 70 70 LYS HD2 H 1.270 0.005 1 493 70 70 LYS HD3 H 1.270 0.005 1 494 70 70 LYS HE2 H 3.343 0.04 1 495 70 70 LYS HE3 H 3.343 0.04 1 496 70 70 LYS HG2 H 1.039 0.003 1 497 70 70 LYS HG3 H 1.039 0.003 1 498 70 70 LYS N N 128.996 0.1 1 499 71 71 LEU H H 8.480 0.002 1 500 71 71 LEU HA H 4.356 0.003 1 501 71 71 LEU HB2 H 2.067 0.008 2 502 71 71 LEU HB3 H 1.989 0.003 2 503 71 71 LEU HD1 H 0.883 0.003 1 504 71 71 LEU HD2 H 0.883 0.003 1 505 71 71 LEU HG H 2.289 0.005 1 506 71 71 LEU N N 121.057 0.1 1 507 72 72 LEU H H 8.246 0.002 1 508 72 72 LEU HA H 4.360 0.003 1 509 72 72 LEU HB2 H 1.616 0.003 2 510 72 72 LEU HB3 H 1.566 0.003 2 511 72 72 LEU HD1 H 0.881 0.003 2 512 72 72 LEU HD2 H 0.822 0.003 2 513 72 72 LEU HG H 1.271 0.003 1 514 72 72 LEU N N 123.412 0.1 1 515 73 73 LYS H H 8.572 0.002 1 516 73 73 LYS HA H 3.968 0.002 1 517 73 73 LYS HB2 H 1.615 0.04 2 518 73 73 LYS HB3 H 1.486 0.002 2 519 73 73 LYS N N 124.683 0.1 1 520 74 74 GLU H H 8.870 0.002 1 521 74 74 GLU HA H 4.017 0.003 1 522 74 74 GLU HB2 H 1.994 0.005 1 523 74 74 GLU HB3 H 1.994 0.005 1 524 74 74 GLU HG2 H 2.337 0.003 1 525 74 74 GLU HG3 H 2.337 0.003 1 526 74 74 GLU N N 120.546 0.1 1 527 75 75 ASN H H 8.120 0.002 1 528 75 75 ASN HA H 4.932 0.001 1 529 75 75 ASN HB2 H 2.956 0.002 2 530 75 75 ASN HB3 H 2.865 0.003 2 531 75 75 ASN HD21 H 7.549 0.04 1 532 75 75 ASN HD22 H 6.894 0.003 1 533 75 75 ASN N N 114.370 0.1 1 534 75 75 ASN ND2 N 112.920 0.1 1 535 76 76 ALA H H 7.230 0.003 1 536 76 76 ALA HA H 4.285 0.003 1 537 76 76 ALA HB H 1.359 0.003 1 538 76 76 ALA N N 121.900 0.1 1 539 77 77 VAL H H 7.934 0.002 1 540 77 77 VAL HA H 4.312 0.003 1 541 77 77 VAL HB H 1.884 0.004 1 542 77 77 VAL HG1 H 1.084 0.004 2 543 77 77 VAL HG2 H 0.943 0.004 2 544 77 77 VAL N N 119.613 0.1 1 545 78 78 PRO HA H 3.343 0.003 1 546 78 78 PRO HB2 H 2.235 0.002 1 547 78 78 PRO HB3 H 2.235 0.003 1 548 78 78 PRO HD2 H 2.671 0.003 1 549 78 78 PRO HD3 H 2.671 0.003 1 550 78 78 PRO HG2 H -0.164 0.003 1 551 78 78 PRO HG3 H -0.164 0.003 1 552 80 80 ILE H H 7.937 0.003 1 553 80 80 ILE HA H 3.905 0.005 1 554 80 80 ILE HB H 1.688 0.004 1 555 80 80 ILE HD1 H 0.680 0.003 1 556 80 80 ILE HG12 H 1.586 0.003 2 557 80 80 ILE HG13 H 1.467 0.003 2 558 80 80 ILE HG2 H 0.739 0.003 1 559 80 80 ILE N N 122.273 0.1 1 560 81 81 PHE H H 7.514 0.002 1 561 81 81 PHE HA H 4.504 0.003 1 562 81 81 PHE HB2 H 2.997 0.003 1 563 81 81 PHE HB3 H 2.819 0.003 1 564 81 81 PHE HD1 H 7.100 0.005 3 565 81 81 PHE HD2 H 7.100 0.005 3 566 81 81 PHE HE1 H 6.725 0.003 3 567 81 81 PHE HE2 H 6.725 0.003 3 568 81 81 PHE HZ H 6.576 0.003 1 569 81 81 PHE N N 108.965 0.1 1 570 82 82 LEU H H 7.981 0.002 1 571 82 82 LEU HA H 4.322 0.04 1 572 82 82 LEU HB2 H 1.509 0.004 1 573 82 82 LEU HB3 H 1.509 0.002 1 574 82 82 LEU HD1 H 0.580 0.003 1 575 82 82 LEU HD2 H 0.580 0.003 1 576 82 82 LEU HG H 0.783 0.005 1 577 86 86 PRO HA H 4.370 0.003 1 578 86 86 PRO HB2 H 2.262 0.003 2 579 86 86 PRO HB3 H 2.042 0.003 2 580 86 86 PRO HD2 H 3.822 0.003 2 581 86 86 PRO HD3 H 3.626 0.003 2 582 86 86 PRO HG2 H 1.935 0.003 1 583 86 86 PRO HG3 H 1.935 0.003 1 stop_ save_