data_15300 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, 13C chemical shift assignment of the THAP domain 1-90 from human THAP1 protein ; _BMRB_accession_number 15300 _BMRB_flat_file_name bmr15300.str _Entry_type original _Submission_date 2007-06-12 _Accession_date 2007-06-12 _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" 458 "13C chemical shifts" 177 "15N chemical shifts" 61 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-02-21 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15289 'THAP domain 1-81 from human THAP1 protein' stop_ _Original_release_date 2008-02-21 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 'transcription factor, cell proliferation' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; MVQSCSAYGCKNRYDKDKPV SFHKFPLTRPSLCKEWEAAV RRKNFKPTKYSSICSEHFTP DCFKRECNNKLLKENAVPTI FLCTEPHDKKLELVPR ; 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 CYS 84 THR 85 GLU 86 PRO 87 HIS 88 ASP 89 LYS 90 LYS 91 LEU 92 GLU 93 LEU 94 VAL 95 PRO 96 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 DBJ BAA91635 "unnamed protein product [Homo sapiens]" 93.75 213 100.00 100.00 8.32e-59 DBJ BAD96951 "THAP domain containing, apoptosis associated protein 1 isoform 1 variant [Homo sapiens]" 93.75 213 98.89 100.00 2.00e-58 DBJ BAE02260 "unnamed protein product [Macaca fascicularis]" 93.75 212 98.89 98.89 8.97e-58 DBJ BAI45652 "THAP domain containing, apoptosis associated protein 1 [synthetic construct]" 93.75 213 100.00 100.00 8.32e-59 EMBL CAG33537 "THAP1 [Homo sapiens]" 93.75 213 100.00 100.00 7.46e-59 EMBL CAH90563 "hypothetical protein [Pongo abelii]" 93.75 213 100.00 100.00 8.32e-59 GB AAH21721 "THAP domain containing, apoptosis associated protein 1 [Homo sapiens]" 93.75 213 100.00 100.00 8.32e-59 GB AAI02410 "THAP domain containing, apoptosis associated protein 1 [Bos taurus]" 93.75 213 97.78 100.00 2.13e-57 GB ADZ15806 "THAP domain containing, apoptosis associated protein 1 [synthetic construct]" 93.75 213 100.00 100.00 8.32e-59 GB AIC51723 "THAP1, partial [synthetic construct]" 93.75 213 100.00 100.00 8.32e-59 GB AKI69887 "THAP1, partial [synthetic construct]" 93.75 213 98.89 98.89 4.05e-58 REF NP_001029820 "THAP domain-containing protein 1 [Bos taurus]" 93.75 213 97.78 100.00 2.13e-57 REF NP_001125299 "THAP domain-containing protein 1 [Pongo abelii]" 93.75 213 100.00 100.00 8.32e-59 REF NP_001244808 "THAP domain-containing protein 1 [Macaca mulatta]" 93.75 212 100.00 100.00 8.07e-59 REF NP_001271632 "THAP domain-containing protein 1 [Macaca fascicularis]" 93.75 212 98.89 98.89 8.97e-58 REF NP_060575 "THAP domain-containing protein 1 isoform 1 [Homo sapiens]" 93.75 213 100.00 100.00 8.32e-59 SP Q3T0G1 "RecName: Full=THAP domain-containing protein 1" 93.75 213 97.78 100.00 2.13e-57 SP Q4R3Q6 "RecName: Full=THAP domain-containing protein 1" 93.75 212 98.89 98.89 8.97e-58 SP Q5RCE4 "RecName: Full=THAP domain-containing protein 1 [Pongo abelii]" 93.75 213 100.00 100.00 8.32e-59 SP Q9NVV9 "RecName: Full=THAP domain-containing protein 1" 93.75 213 100.00 100.00 8.32e-59 TPG DAA14452 "TPA: THAP domain-containing protein 1 [Bos taurus]" 93.75 213 97.78 100.00 2.13e-57 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 . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 19 02:38:10 2007 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN N 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-13C _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $THAP_domain 1 mM '[U-13C; 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-13C save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_U-15N-13C save_ save_3D_1H-15N_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_U-15N-13C save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_U-15N-13C save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_U-15N-13C save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_U-15N-13C save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_U-15N-13C save_ save_3D_HBHA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_U-15N-13C save_ save_3D_HN(CO)CA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_U-15N-13C save_ save_3D_HNHA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_U-15N-13C 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 C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 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 _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' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D HNHA' stop_ loop_ _Sample_label $sample_U $sample_U-15N-13C 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 HB H 1.370 0.04 1 2 2 2 VAL HG1 H 0.820 0.04 2 3 2 2 VAL HG2 H 0.799 0.04 2 4 3 3 GLN H H 7.626 0.04 1 5 3 3 GLN HA H 4.294 0.04 1 6 3 3 GLN HB2 H 1.625 0.04 2 7 3 3 GLN HB3 H 1.573 0.04 2 8 3 3 GLN HG2 H 2.201 0.04 1 9 3 3 GLN HG3 H 2.201 0.04 1 10 3 3 GLN C C 173.862 0.4 1 11 3 3 GLN CA C 58.877 0.4 1 12 3 3 GLN CB C 32.064 0.4 1 13 4 4 SER H H 8.360 0.04 1 14 4 4 SER HA H 4.928 0.04 1 15 4 4 SER HB2 H 4.021 0.04 2 16 4 4 SER HB3 H 3.821 0.04 2 17 4 4 SER C C 172.870 0.4 1 18 4 4 SER CA C 59.654 0.4 1 19 4 4 SER CB C 67.824 0.4 1 20 4 4 SER N N 117.220 0.1 1 21 5 5 CYS H H 8.555 0.04 1 22 5 5 CYS HA H 4.678 0.04 1 23 5 5 CYS HB2 H 3.242 0.04 2 24 5 5 CYS HB3 H 3.033 0.04 2 25 5 5 CYS C C 176.531 0.4 1 26 5 5 CYS CA C 62.859 0.4 1 27 5 5 CYS CB C 33.750 0.4 1 28 5 5 CYS N N 124.855 0.1 1 29 6 6 SER H H 9.294 0.04 1 30 6 6 SER HA H 4.687 0.04 1 31 6 6 SER HB2 H 4.125 0.04 2 32 6 6 SER HB3 H 4.028 0.04 2 33 6 6 SER C C 173.237 0.4 1 34 6 6 SER CA C 63.094 0.4 1 35 6 6 SER CB C 67.568 0.4 1 36 6 6 SER N N 123.427 0.1 1 37 7 7 ALA H H 9.404 0.04 1 38 7 7 ALA HA H 3.903 0.04 1 39 7 7 ALA HB H 1.064 0.04 1 40 7 7 ALA C C 177.828 0.4 1 41 7 7 ALA CA C 55.272 0.4 1 42 7 7 ALA CB C 20.562 0.4 1 43 7 7 ALA N N 127.344 0.1 1 44 8 8 TYR H H 8.842 0.04 1 45 8 8 TYR HA H 4.059 0.04 1 46 8 8 TYR HB2 H 2.903 0.04 2 47 8 8 TYR HB3 H 2.884 0.04 2 48 8 8 TYR HD1 H 6.891 0.04 3 49 8 8 TYR HD2 H 6.891 0.04 3 50 8 8 TYR HE1 H 6.841 0.04 3 51 8 8 TYR HE2 H 6.841 0.04 3 52 8 8 TYR C C 177.011 0.4 1 53 8 8 TYR CA C 62.573 0.4 1 54 8 8 TYR CB C 40.524 0.4 1 55 8 8 TYR N N 125.697 0.1 1 56 9 9 GLY H H 8.335 0.04 1 57 9 9 GLY HA2 H 3.808 0.04 2 58 9 9 GLY HA3 H 3.285 0.04 2 59 9 9 GLY C C 172.852 0.4 1 60 9 9 GLY CA C 47.348 0.4 1 61 9 9 GLY N N 115.138 0.1 1 62 10 10 CYS H H 7.718 0.04 1 63 10 10 CYS HA H 4.432 0.04 1 64 10 10 CYS HB2 H 2.760 0.04 2 65 10 10 CYS HB3 H 3.137 0.04 2 66 10 10 CYS C C 176.542 0.4 1 67 10 10 CYS CA C 62.232 0.4 1 68 10 10 CYS CB C 33.171 0.4 1 69 10 10 CYS N N 123.023 0.1 1 70 11 11 LYS H H 8.896 0.04 1 71 11 11 LYS HA H 4.574 0.04 1 72 11 11 LYS HB2 H 2.120 0.04 2 73 11 11 LYS HB3 H 2.092 0.04 2 74 11 11 LYS HD2 H 1.755 0.04 1 75 11 11 LYS HD3 H 1.755 0.04 1 76 11 11 LYS HG2 H 1.463 0.04 1 77 11 11 LYS HG3 H 1.463 0.04 1 78 11 11 LYS C C 176.871 0.4 1 79 11 11 LYS CA C 57.811 0.4 1 80 11 11 LYS CB C 34.315 0.4 1 81 11 11 LYS N N 128.932 0.1 1 82 12 12 ASN H H 8.846 0.04 1 83 12 12 ASN HA H 4.820 0.04 1 84 12 12 ASN HB2 H 3.196 0.04 2 85 12 12 ASN HB3 H 2.694 0.04 2 86 12 12 ASN HD21 H 6.677 0.04 1 87 12 12 ASN HD22 H 6.677 0.04 1 88 12 12 ASN C C 174.809 0.4 1 89 12 12 ASN CA C 57.849 0.4 1 90 12 12 ASN CB C 40.285 0.4 1 91 12 12 ASN N N 122.111 0.1 1 92 13 13 ARG H H 8.568 0.04 1 93 13 13 ARG HA H 4.849 0.04 1 94 13 13 ARG HB2 H 1.783 0.04 2 95 13 13 ARG HB3 H 1.692 0.04 2 96 13 13 ARG HD2 H 3.960 0.04 1 97 13 13 ARG HD3 H 3.960 0.04 1 98 13 13 ARG HG2 H 1.297 0.04 1 99 13 13 ARG HG3 H 1.297 0.04 1 100 13 13 ARG C C 175.648 0.4 1 101 13 13 ARG CA C 56.668 0.4 1 102 13 13 ARG CB C 35.603 0.4 1 103 13 13 ARG N N 121.364 0.1 1 104 14 14 TYR H H 7.906 0.04 1 105 14 14 TYR HA H 3.778 0.04 1 106 14 14 TYR HB2 H 2.521 0.04 2 107 14 14 TYR HB3 H 2.238 0.04 2 108 14 14 TYR HD1 H 7.036 0.04 3 109 14 14 TYR HD2 H 7.036 0.04 3 110 14 14 TYR HE1 H 6.898 0.04 3 111 14 14 TYR HE2 H 6.898 0.04 3 112 14 14 TYR C C 174.097 0.4 1 113 14 14 TYR CA C 63.522 0.4 1 114 14 14 TYR CB C 40.397 0.4 1 115 14 14 TYR N N 122.820 0.1 1 116 15 15 ASP H H 7.273 0.04 1 117 15 15 ASP HA H 4.283 0.04 1 118 15 15 ASP HB2 H 2.540 0.04 2 119 15 15 ASP HB3 H 2.497 0.04 2 120 15 15 ASP CA C 55.146 0.4 1 121 15 15 ASP CB C 45.806 0.4 1 122 15 15 ASP N N 127.546 0.1 1 123 16 16 LYS H H 8.685 0.04 1 124 16 16 LYS HA H 4.047 0.04 1 125 16 16 LYS HB2 H 1.857 0.04 2 126 16 16 LYS HB3 H 1.831 0.04 2 127 16 16 LYS HD2 H 1.452 0.04 1 128 16 16 LYS HD3 H 1.452 0.04 1 129 16 16 LYS HE2 H 2.977 0.04 1 130 16 16 LYS HE3 H 2.977 0.04 1 131 16 16 LYS HG2 H 1.369 0.04 1 132 16 16 LYS HG3 H 1.369 0.04 1 133 16 16 LYS C C 176.277 0.4 1 134 16 16 LYS CA C 60.555 0.4 1 135 16 16 LYS CB C 34.128 0.4 1 136 16 16 LYS N N 126.907 0.1 1 137 17 17 ASP H H 8.629 0.04 1 138 17 17 ASP HA H 4.774 0.04 1 139 17 17 ASP HB2 H 2.843 0.04 2 140 17 17 ASP HB3 H 2.525 0.04 2 141 17 17 ASP C C 175.655 0.4 1 142 17 17 ASP CA C 56.958 0.4 1 143 17 17 ASP CB C 43.746 0.4 1 144 17 17 ASP N N 118.737 0.1 1 145 18 18 LYS H H 7.830 0.04 1 146 18 18 LYS HA H 4.845 0.04 1 147 18 18 LYS HB2 H 1.874 0.04 2 148 18 18 LYS HB3 H 1.836 0.04 2 149 18 18 LYS HD2 H 1.304 0.04 1 150 18 18 LYS HD3 H 1.304 0.04 1 151 18 18 LYS HE2 H 2.969 0.04 1 152 18 18 LYS HE3 H 2.969 0.04 1 153 18 18 LYS HG2 H 1.289 0.04 1 154 18 18 LYS HG3 H 1.289 0.04 1 155 18 18 LYS N N 120.336 0.1 1 156 19 19 PRO HA H 4.637 0.04 1 157 19 19 PRO HB2 H 2.221 0.04 2 158 19 19 PRO HB3 H 2.046 0.04 2 159 19 19 PRO HD2 H 3.703 0.04 2 160 19 19 PRO HD3 H 3.677 0.04 2 161 19 19 PRO HG2 H 1.955 0.04 2 162 19 19 PRO HG3 H 1.846 0.04 2 163 19 19 PRO C C 175.880 0.4 1 164 20 20 VAL H H 7.257 0.04 1 165 20 20 VAL HA H 3.848 0.04 1 166 20 20 VAL HB H 1.907 0.04 1 167 20 20 VAL HG1 H 0.835 0.04 2 168 20 20 VAL HG2 H 0.798 0.04 2 169 20 20 VAL C C 175.344 0.4 1 170 20 20 VAL CA C 65.263 0.4 1 171 20 20 VAL CB C 35.627 0.4 1 172 20 20 VAL N N 122.606 0.1 1 173 21 21 SER H H 8.560 0.04 1 174 21 21 SER HA H 4.967 0.04 1 175 21 21 SER HB2 H 3.955 0.04 2 176 21 21 SER HB3 H 3.753 0.04 2 177 21 21 SER C C 172.466 0.4 1 178 21 21 SER CA C 58.753 0.4 1 179 21 21 SER CB C 67.546 0.4 1 180 21 21 SER N N 122.480 0.1 1 181 22 22 PHE H H 8.585 0.04 1 182 22 22 PHE HA H 4.417 0.04 1 183 22 22 PHE HB2 H 2.748 0.04 1 184 22 22 PHE HB3 H 2.748 0.04 1 185 22 22 PHE HD1 H 7.160 0.04 3 186 22 22 PHE HD2 H 7.160 0.04 3 187 22 22 PHE HE1 H 7.122 0.04 3 188 22 22 PHE HE2 H 7.122 0.04 3 189 22 22 PHE HZ H 6.679 0.04 1 190 22 22 PHE C C 174.898 0.4 1 191 22 22 PHE CA C 60.588 0.4 1 192 22 22 PHE CB C 43.476 0.4 1 193 22 22 PHE N N 117.990 0.1 1 194 23 23 HIS H H 8.450 0.04 1 195 23 23 HIS HA H 4.756 0.04 1 196 23 23 HIS HB2 H 3.364 0.04 2 197 23 23 HIS HB3 H 3.319 0.04 2 198 23 23 HIS HD2 H 5.462 0.04 1 199 23 23 HIS HE1 H 9.551 0.04 1 200 23 23 HIS C C 174.752 0.4 1 201 23 23 HIS CA C 57.078 0.4 1 202 23 23 HIS CB C 33.346 0.4 1 203 23 23 HIS N N 123.847 0.1 1 204 24 24 LYS H H 8.815 0.04 1 205 24 24 LYS HA H 4.864 0.04 1 206 24 24 LYS HB2 H 2.194 0.04 2 207 24 24 LYS HB3 H 1.841 0.04 2 208 24 24 LYS HE2 H 3.104 0.04 1 209 24 24 LYS HE3 H 3.104 0.04 1 210 24 24 LYS HG2 H 1.633 0.04 1 211 24 24 LYS HG3 H 1.633 0.04 1 212 24 24 LYS C C 176.411 0.4 1 213 24 24 LYS CA C 58.461 0.4 1 214 24 24 LYS CB C 34.864 0.4 1 215 24 24 LYS N N 125.030 0.1 1 216 25 25 PHE H H 8.365 0.04 1 217 25 25 PHE HA H 4.008 0.04 1 218 25 25 PHE HB2 H 3.102 0.04 1 219 25 25 PHE HB3 H 3.102 0.04 1 220 25 25 PHE HD1 H 7.622 0.04 3 221 25 25 PHE HD2 H 7.622 0.04 3 222 25 25 PHE HE1 H 7.385 0.04 3 223 25 25 PHE HE2 H 7.385 0.04 3 224 25 25 PHE HZ H 7.336 0.04 1 225 25 25 PHE C C 176.329 0.4 1 226 25 25 PHE CA C 58.507 0.4 1 227 25 25 PHE CB C 40.563 0.4 1 228 25 25 PHE N N 118.881 0.1 1 229 26 26 PRO HA H 4.696 0.04 1 230 26 26 PRO HB2 H 2.080 0.04 2 231 26 26 PRO HB3 H 1.599 0.04 2 232 26 26 PRO HG2 H 1.530 0.04 2 233 26 26 PRO HG3 H 1.503 0.04 2 234 26 26 PRO C C 176.098 0.4 1 235 26 26 PRO CA C 63.501 0.4 1 236 26 26 PRO CB C 29.571 0.4 1 237 27 27 LEU H H 8.005 0.04 1 238 27 27 LEU HA H 4.346 0.04 1 239 27 27 LEU HB2 H 2.040 0.04 2 240 27 27 LEU HB3 H 2.021 0.04 2 241 27 27 LEU HD1 H 0.928 0.04 2 242 27 27 LEU HD2 H 0.895 0.04 2 243 27 27 LEU HG H 1.570 0.04 1 244 27 27 LEU C C 178.772 0.4 1 245 27 27 LEU CA C 60.433 0.4 1 246 27 27 LEU CB C 44.542 0.4 1 247 27 27 LEU N N 122.470 0.1 1 248 28 28 THR H H 7.693 0.04 1 249 28 28 THR HA H 4.295 0.04 1 250 28 28 THR HB H 4.565 0.04 1 251 28 28 THR HG2 H 1.207 0.04 1 252 28 28 THR C C 174.004 0.4 1 253 28 28 THR CA C 64.103 0.4 1 254 28 28 THR CB C 71.021 0.4 1 255 28 28 THR N N 104.312 0.1 1 256 29 29 ARG H H 7.713 0.04 1 257 29 29 ARG HA H 4.941 0.04 1 258 29 29 ARG HB2 H 1.977 0.04 2 259 29 29 ARG HB3 H 1.835 0.04 2 260 29 29 ARG HD2 H 3.197 0.04 1 261 29 29 ARG HD3 H 3.197 0.04 1 262 29 29 ARG HG2 H 1.576 0.04 1 263 29 29 ARG HG3 H 1.576 0.04 1 264 29 29 ARG CA C 55.427 0.4 1 265 29 29 ARG CB C 33.003 0.4 1 266 29 29 ARG N N 123.085 0.1 1 267 30 30 PRO HA H 4.119 0.04 1 268 30 30 PRO HB2 H 2.432 0.04 2 269 30 30 PRO HB3 H 2.155 0.04 2 270 30 30 PRO HD2 H 3.825 0.04 2 271 30 30 PRO HD3 H 3.605 0.04 2 272 30 30 PRO HG2 H 2.012 0.04 1 273 30 30 PRO HG3 H 2.012 0.04 1 274 31 31 SER HA H 4.123 0.04 1 275 31 31 SER HB2 H 3.951 0.04 1 276 31 31 SER HB3 H 3.951 0.04 1 277 31 31 SER C C 176.542 0.4 1 278 31 31 SER CA C 63.845 0.4 1 279 31 31 SER CB C 63.850 0.4 1 280 32 32 LEU H H 7.264 0.04 1 281 32 32 LEU HA H 4.462 0.04 1 282 32 32 LEU HB2 H 1.632 0.04 2 283 32 32 LEU HB3 H 1.799 0.04 2 284 32 32 LEU HD1 H 1.077 0.04 2 285 32 32 LEU HD2 H 1.058 0.04 2 286 32 32 LEU HG H 1.571 0.04 1 287 32 32 LEU C C 178.761 0.4 1 288 32 32 LEU CA C 59.077 0.4 1 289 32 32 LEU CB C 44.813 0.4 1 290 32 32 LEU N N 125.170 0.1 1 291 33 33 CYS H H 8.963 0.04 1 292 33 33 CYS HA H 3.686 0.04 1 293 33 33 CYS HB2 H 2.853 0.04 2 294 33 33 CYS HB3 H 2.826 0.04 2 295 33 33 CYS C C 177.278 0.4 1 296 33 33 CYS CA C 66.849 0.4 1 297 33 33 CYS CB C 28.200 0.4 1 298 33 33 CYS N N 120.438 0.1 1 299 34 34 LYS H H 8.166 0.04 1 300 34 34 LYS HA H 4.190 0.04 1 301 34 34 LYS HB2 H 2.052 0.04 2 302 34 34 LYS HB3 H 1.993 0.04 2 303 34 34 LYS HD2 H 0.926 0.04 1 304 34 34 LYS HD3 H 0.926 0.04 1 305 34 34 LYS HG2 H 0.793 0.04 1 306 34 34 LYS HG3 H 0.793 0.04 1 307 34 34 LYS C C 179.592 0.4 1 308 34 34 LYS CA C 62.016 0.4 1 309 34 34 LYS CB C 34.024 0.4 1 310 34 34 LYS N N 117.700 0.1 1 311 35 35 GLU H H 7.582 0.04 1 312 35 35 GLU HA H 4.364 0.04 1 313 35 35 GLU HB2 H 2.378 0.04 1 314 35 35 GLU HB3 H 2.378 0.04 1 315 35 35 GLU HG2 H 2.614 0.04 2 316 35 35 GLU HG3 H 2.589 0.04 2 317 35 35 GLU C C 180.551 0.4 1 318 35 35 GLU CA C 61.517 0.4 1 319 35 35 GLU CB C 32.057 0.4 1 320 35 35 GLU N N 119.740 0.1 1 321 36 36 TRP H H 8.515 0.04 1 322 36 36 TRP HA H 4.120 0.04 1 323 36 36 TRP HB2 H 3.102 0.04 2 324 36 36 TRP HB3 H 3.700 0.04 2 325 36 36 TRP HE1 H 10.481 0.04 1 326 36 36 TRP HE3 H 7.442 0.04 1 327 36 36 TRP HH2 H 6.767 0.04 1 328 36 36 TRP HZ2 H 6.964 0.04 1 329 36 36 TRP HZ3 H 5.966 0.04 1 330 36 36 TRP C C 178.247 0.4 1 331 36 36 TRP CA C 64.411 0.4 1 332 36 36 TRP CB C 30.856 0.4 1 333 36 36 TRP N N 122.166 0.1 1 334 36 36 TRP NE1 N 128.629 0.1 1 335 37 37 GLU H H 9.117 0.04 1 336 37 37 GLU HA H 4.121 0.04 1 337 37 37 GLU HB2 H 2.390 0.04 2 338 37 37 GLU HB3 H 2.352 0.04 2 339 37 37 GLU HG2 H 2.884 0.04 1 340 37 37 GLU HG3 H 2.884 0.04 1 341 37 37 GLU C C 179.276 0.4 1 342 37 37 GLU CA C 63.027 0.4 1 343 37 37 GLU CB C 32.552 0.4 1 344 37 37 GLU N N 118.363 0.1 1 345 38 38 ALA H H 8.083 0.04 1 346 38 38 ALA HA H 4.191 0.04 1 347 38 38 ALA HB H 1.555 0.04 1 348 38 38 ALA C C 179.136 0.4 1 349 38 38 ALA CA C 56.800 0.4 1 350 38 38 ALA CB C 20.064 0.4 1 351 38 38 ALA N N 121.765 0.1 1 352 39 39 ALA H H 7.483 0.04 1 353 39 39 ALA HA H 3.798 0.04 1 354 39 39 ALA HB H 1.368 0.04 1 355 39 39 ALA C C 177.722 0.4 1 356 39 39 ALA CA C 56.213 0.4 1 357 39 39 ALA CB C 21.288 0.4 1 358 39 39 ALA N N 119.893 0.1 1 359 40 40 VAL H H 7.335 0.04 1 360 40 40 VAL HA H 3.306 0.04 1 361 40 40 VAL HB H 2.126 0.04 1 362 40 40 VAL HG1 H 0.829 0.04 2 363 40 40 VAL HG2 H 0.623 0.04 2 364 40 40 VAL C C 175.982 0.4 1 365 40 40 VAL CA C 65.864 0.4 1 366 40 40 VAL CB C 34.270 0.4 1 367 40 40 VAL N N 114.013 0.1 1 368 41 41 ARG H H 7.323 0.04 1 369 41 41 ARG HA H 3.777 0.04 1 370 41 41 ARG HB2 H 1.688 0.04 2 371 41 41 ARG HB3 H 1.671 0.04 2 372 41 41 ARG HD2 H 3.293 0.04 1 373 41 41 ARG HD3 H 3.293 0.04 1 374 41 41 ARG HG2 H 1.461 0.04 1 375 41 41 ARG HG3 H 1.461 0.04 1 376 41 41 ARG C C 175.171 0.4 1 377 41 41 ARG CA C 59.214 0.4 1 378 41 41 ARG CB C 30.694 0.4 1 379 41 41 ARG N N 115.552 0.1 1 380 42 42 ARG H H 8.242 0.04 1 381 42 42 ARG HA H 4.562 0.04 1 382 42 42 ARG HB2 H 1.630 0.04 2 383 42 42 ARG HB3 H 1.573 0.04 2 384 42 42 ARG HD2 H 2.871 0.04 1 385 42 42 ARG HD3 H 2.871 0.04 1 386 42 42 ARG HG2 H 1.438 0.04 1 387 42 42 ARG HG3 H 1.438 0.04 1 388 42 42 ARG C C 176.369 0.4 1 389 42 42 ARG CA C 56.741 0.4 1 390 42 42 ARG CB C 35.547 0.4 1 391 42 42 ARG N N 119.568 0.1 1 392 43 43 LYS H H 8.987 0.04 1 393 43 43 LYS HA H 4.139 0.04 1 394 43 43 LYS HB2 H 1.812 0.04 1 395 43 43 LYS HB3 H 1.812 0.04 1 396 43 43 LYS HD2 H 1.637 0.04 1 397 43 43 LYS HD3 H 1.637 0.04 1 398 43 43 LYS HE2 H 2.873 0.04 1 399 43 43 LYS HE3 H 2.873 0.04 1 400 43 43 LYS HG2 H 1.085 0.04 1 401 43 43 LYS HG3 H 1.085 0.04 1 402 43 43 LYS C C 177.159 0.4 1 403 43 43 LYS CA C 59.598 0.4 1 404 43 43 LYS CB C 35.060 0.4 1 405 43 43 LYS N N 125.001 0.1 1 406 44 44 ASN H H 9.006 0.04 1 407 44 44 ASN HA H 4.452 0.04 1 408 44 44 ASN HB2 H 2.925 0.04 2 409 44 44 ASN HB3 H 2.974 0.04 2 410 44 44 ASN HD21 H 7.648 0.04 1 411 44 44 ASN HD22 H 6.969 0.04 1 412 44 44 ASN C C 173.834 0.4 1 413 44 44 ASN CA C 56.419 0.4 1 414 44 44 ASN CB C 39.788 0.4 1 415 44 44 ASN N N 119.273 0.1 1 416 44 44 ASN ND2 N 113.291 0.1 1 417 45 45 PHE H H 7.839 0.04 1 418 45 45 PHE HA H 4.559 0.04 1 419 45 45 PHE HB2 H 2.975 0.04 2 420 45 45 PHE HB3 H 2.861 0.04 2 421 45 45 PHE HD1 H 7.161 0.04 3 422 45 45 PHE HD2 H 7.161 0.04 3 423 45 45 PHE HE1 H 7.628 0.04 3 424 45 45 PHE HE2 H 7.628 0.04 3 425 45 45 PHE HZ H 7.393 0.04 1 426 45 45 PHE C C 173.996 0.4 1 427 45 45 PHE CA C 60.314 0.4 1 428 45 45 PHE CB C 44.028 0.4 1 429 45 45 PHE N N 119.864 0.1 1 430 46 46 LYS H H 7.516 0.04 1 431 46 46 LYS HA H 4.332 0.04 1 432 46 46 LYS HB2 H 1.496 0.04 2 433 46 46 LYS HB3 H 1.421 0.04 2 434 46 46 LYS HD2 H 1.271 0.04 1 435 46 46 LYS HD3 H 1.271 0.04 1 436 46 46 LYS HE2 H 2.908 0.04 1 437 46 46 LYS HE3 H 2.908 0.04 1 438 46 46 LYS HG2 H 1.195 0.04 1 439 46 46 LYS HG3 H 1.195 0.04 1 440 46 46 LYS CA C 54.147 0.4 1 441 46 46 LYS CB C 36.023 0.4 1 442 46 46 LYS N N 129.570 0.1 1 443 47 47 PRO HA H 3.866 0.04 1 444 47 47 PRO HB2 H 1.630 0.04 2 445 47 47 PRO HB3 H 1.384 0.04 2 446 47 47 PRO HD2 H 3.429 0.04 2 447 47 47 PRO HD3 H 2.921 0.04 2 448 47 47 PRO HG2 H 0.870 0.04 1 449 47 47 PRO HG3 H 0.870 0.04 1 450 47 47 PRO C C 175.977 0.4 1 451 47 47 PRO CA C 63.982 0.4 1 452 47 47 PRO CB C 33.507 0.4 1 453 48 48 THR H H 8.561 0.04 1 454 48 48 THR HA H 4.586 0.04 1 455 48 48 THR HB H 4.611 0.04 1 456 48 48 THR HG2 H 1.203 0.04 1 457 48 48 THR CA C 61.960 0.4 1 458 48 48 THR CB C 74.925 0.4 1 459 48 48 THR N N 111.217 0.1 1 460 49 49 LYS H H 8.056 0.04 1 461 49 49 LYS HA H 4.130 0.04 1 462 49 49 LYS HB2 H 1.663 0.04 2 463 49 49 LYS HB3 H 1.521 0.04 2 464 49 49 LYS HD2 H 1.026 0.04 1 465 49 49 LYS HD3 H 1.026 0.04 1 466 49 49 LYS HE2 H 2.798 0.04 1 467 49 49 LYS HE3 H 2.798 0.04 1 468 49 49 LYS HG2 H 0.564 0.04 1 469 49 49 LYS HG3 H 0.564 0.04 1 470 49 49 LYS C C 175.445 0.4 1 471 49 49 LYS CA C 58.551 0.4 1 472 49 49 LYS CB C 35.067 0.4 1 473 50 50 TYR H H 8.086 0.04 1 474 50 50 TYR HA H 4.641 0.04 1 475 50 50 TYR HB2 H 3.365 0.04 2 476 50 50 TYR HB3 H 2.670 0.04 2 477 50 50 TYR HD1 H 7.182 0.04 3 478 50 50 TYR HD2 H 7.182 0.04 3 479 50 50 TYR HE1 H 6.865 0.04 3 480 50 50 TYR HE2 H 6.865 0.04 3 481 50 50 TYR C C 176.644 0.4 1 482 50 50 TYR CA C 60.020 0.4 1 483 50 50 TYR CB C 40.970 0.4 1 484 50 50 TYR N N 116.597 0.1 1 485 51 51 SER H H 7.645 0.04 1 486 51 51 SER HA H 4.753 0.04 1 487 51 51 SER HB2 H 3.958 0.04 1 488 51 51 SER HB3 H 3.958 0.04 1 489 51 51 SER C C 174.048 0.4 1 490 51 51 SER CA C 62.263 0.4 1 491 51 51 SER CB C 66.493 0.4 1 492 51 51 SER N N 117.901 0.1 1 493 52 52 SER H H 9.581 0.04 1 494 52 52 SER HA H 5.834 0.04 1 495 52 52 SER HB2 H 3.977 0.04 2 496 52 52 SER HB3 H 3.948 0.04 2 497 52 52 SER C C 172.120 0.4 1 498 52 52 SER CA C 60.563 0.4 1 499 52 52 SER CB C 69.855 0.4 1 500 52 52 SER N N 118.960 0.1 1 501 53 53 ILE H H 9.550 0.04 1 502 53 53 ILE HA H 5.446 0.04 1 503 53 53 ILE HB H 1.869 0.04 1 504 53 53 ILE HD1 H 0.634 0.04 1 505 53 53 ILE HG12 H 1.364 0.04 2 506 53 53 ILE HG13 H 1.333 0.04 2 507 53 53 ILE HG2 H 0.906 0.04 1 508 53 53 ILE C C 175.970 0.4 1 509 53 53 ILE CA C 60.588 0.4 1 510 53 53 ILE CB C 42.082 0.4 1 511 53 53 ILE N N 122.777 0.1 1 512 54 54 CYS H H 10.483 0.04 1 513 54 54 CYS HA H 5.318 0.04 1 514 54 54 CYS HB2 H 2.421 0.04 2 515 54 54 CYS HB3 H 2.575 0.04 2 516 54 54 CYS C C 176.231 0.4 1 517 54 54 CYS CA C 60.947 0.4 1 518 54 54 CYS CB C 32.519 0.4 1 519 54 54 CYS N N 132.595 0.1 1 520 55 55 SER H H 8.753 0.04 1 521 55 55 SER HA H 4.289 0.04 1 522 55 55 SER HB2 H 4.145 0.04 1 523 55 55 SER HB3 H 4.145 0.04 1 524 55 55 SER C C 176.515 0.4 1 525 55 55 SER CA C 63.788 0.4 1 526 55 55 SER CB C 65.165 0.4 1 527 55 55 SER N N 110.842 0.1 1 528 56 56 GLU H H 8.330 0.04 1 529 56 56 GLU HA H 4.080 0.04 1 530 56 56 GLU HB2 H 1.714 0.04 2 531 56 56 GLU HB3 H 1.334 0.04 2 532 56 56 GLU HG2 H 2.199 0.04 2 533 56 56 GLU HG3 H 2.074 0.04 2 534 56 56 GLU CA C 60.493 0.4 1 535 56 56 GLU CB C 30.882 0.4 1 536 56 56 GLU N N 121.533 0.1 1 537 57 57 HIS H H 6.821 0.04 1 538 57 57 HIS HA H 4.943 0.04 1 539 57 57 HIS HB2 H 1.904 0.04 2 540 57 57 HIS HB3 H 1.872 0.04 2 541 57 57 HIS HD1 H 11.318 0.04 1 542 57 57 HIS HD2 H 7.115 0.04 1 543 57 57 HIS HE1 H 7.926 0.04 1 544 57 57 HIS C C 173.259 0.4 1 545 57 57 HIS CA C 56.619 0.4 1 546 57 57 HIS CB C 30.718 0.4 1 547 57 57 HIS N N 113.564 0.1 1 548 57 57 HIS ND1 N 143.374 0.1 1 549 58 58 PHE H H 7.426 0.04 1 550 58 58 PHE HA H 5.124 0.04 1 551 58 58 PHE HB2 H 2.804 0.04 2 552 58 58 PHE HB3 H 2.712 0.04 2 553 58 58 PHE HD1 H 7.024 0.04 3 554 58 58 PHE HD2 H 7.024 0.04 3 555 58 58 PHE HE1 H 6.839 0.04 3 556 58 58 PHE HE2 H 6.839 0.04 3 557 58 58 PHE HZ H 6.992 0.04 1 558 58 58 PHE C C 175.536 0.4 1 559 58 58 PHE CA C 58.167 0.4 1 560 58 58 PHE CB C 43.293 0.4 1 561 58 58 PHE N N 118.588 0.1 1 562 59 59 THR H H 8.469 0.04 1 563 59 59 THR HA H 4.407 0.04 1 564 59 59 THR HB H 4.608 0.04 1 565 59 59 THR HG2 H 1.267 0.04 1 566 59 59 THR CA C 63.102 0.4 1 567 59 59 THR CB C 69.504 0.4 1 568 59 59 THR N N 114.537 0.1 1 569 60 60 PRO HA H 4.466 0.04 1 570 60 60 PRO HB2 H 2.190 0.04 2 571 60 60 PRO HB3 H 2.097 0.04 2 572 60 60 PRO HD2 H 3.873 0.04 2 573 60 60 PRO HD3 H 3.834 0.04 2 574 60 60 PRO HG2 H 2.459 0.04 1 575 60 60 PRO HG3 H 2.459 0.04 1 576 60 60 PRO C C 178.308 0.4 1 577 60 60 PRO CA C 68.017 0.4 1 578 60 60 PRO CB C 33.977 0.4 1 579 61 61 ASP H H 8.415 0.04 1 580 61 61 ASP HA H 4.596 0.04 1 581 61 61 ASP HB2 H 2.779 0.04 2 582 61 61 ASP HB3 H 2.692 0.04 2 583 61 61 ASP C C 176.318 0.4 1 584 61 61 ASP CA C 56.931 0.4 1 585 61 61 ASP CB C 41.759 0.4 1 586 61 61 ASP N N 113.646 0.1 1 587 62 62 CYS H H 8.028 0.04 1 588 62 62 CYS HA H 4.151 0.04 1 589 62 62 CYS HB2 H 2.598 0.04 2 590 62 62 CYS HB3 H 2.245 0.04 2 591 62 62 CYS C C 172.308 0.4 1 592 62 62 CYS CA C 64.043 0.4 1 593 62 62 CYS CB C 29.842 0.4 1 594 62 62 CYS N N 116.043 0.1 1 595 63 63 PHE H H 7.294 0.04 1 596 63 63 PHE HA H 5.026 0.04 1 597 63 63 PHE HB2 H 2.832 0.04 2 598 63 63 PHE HB3 H 2.776 0.04 2 599 63 63 PHE HD1 H 6.908 0.04 3 600 63 63 PHE HD2 H 6.908 0.04 3 601 63 63 PHE HE1 H 6.772 0.04 3 602 63 63 PHE HE2 H 6.772 0.04 3 603 63 63 PHE HZ H 6.968 0.04 1 604 63 63 PHE CA C 59.094 0.4 1 605 63 63 PHE CB C 43.465 0.4 1 606 63 63 PHE N N 115.641 0.1 1 607 64 64 LYS H H 8.566 0.04 1 608 64 64 LYS HA H 4.138 0.04 1 609 64 64 LYS HB2 H 1.613 0.04 1 610 64 64 LYS HB3 H 1.613 0.04 1 611 64 64 LYS HD2 H 1.510 0.04 1 612 64 64 LYS HD3 H 1.510 0.04 1 613 64 64 LYS HE2 H 3.031 0.04 1 614 64 64 LYS HE3 H 3.031 0.04 1 615 65 65 ARG H H 7.966 0.04 1 616 65 65 ARG HA H 4.148 0.04 1 617 65 65 ARG HB2 H 1.803 0.04 2 618 65 65 ARG HB3 H 1.693 0.04 2 619 65 65 ARG HD2 H 3.173 0.04 1 620 65 65 ARG HD3 H 3.173 0.04 1 621 65 65 ARG HG2 H 1.622 0.04 1 622 65 65 ARG HG3 H 1.622 0.04 1 623 69 69 ASN H H 7.817 0.04 1 624 69 69 ASN HA H 4.448 0.04 1 625 69 69 ASN HB2 H 2.927 0.04 2 626 69 69 ASN HB3 H 2.902 0.04 2 627 70 70 LYS H H 7.455 0.04 1 628 70 70 LYS HA H 4.347 0.04 1 629 70 70 LYS HB2 H 1.492 0.04 2 630 70 70 LYS HB3 H 1.423 0.04 2 631 70 70 LYS HD2 H 1.293 0.04 1 632 70 70 LYS HD3 H 1.293 0.04 1 633 70 70 LYS C C 176.168 0.4 1 634 71 71 LEU H H 8.476 0.04 1 635 71 71 LEU HA H 4.357 0.04 1 636 71 71 LEU HB2 H 2.059 0.04 2 637 71 71 LEU HB3 H 1.980 0.04 2 638 71 71 LEU HD1 H 0.805 0.04 1 639 71 71 LEU HD2 H 0.805 0.04 1 640 71 71 LEU HG H 2.287 0.04 1 641 72 72 LEU H H 8.239 0.04 1 642 72 72 LEU HA H 4.355 0.04 1 643 72 72 LEU HB2 H 1.622 0.04 2 644 72 72 LEU HB3 H 1.566 0.04 2 645 72 72 LEU HD1 H 0.827 0.04 2 646 72 72 LEU HD2 H 0.817 0.04 2 647 72 72 LEU HG H 1.434 0.04 1 648 73 73 LYS H H 8.561 0.04 1 649 73 73 LYS HA H 3.964 0.04 1 650 73 73 LYS HB2 H 1.618 0.04 2 651 73 73 LYS HB3 H 1.488 0.04 2 652 74 74 GLU H H 8.868 0.04 1 653 74 74 GLU HA H 4.017 0.04 1 654 74 74 GLU HB2 H 1.985 0.04 1 655 74 74 GLU HB3 H 1.985 0.04 1 656 74 74 GLU HG2 H 2.327 0.04 1 657 74 74 GLU HG3 H 2.327 0.04 1 658 74 74 GLU C C 176.893 0.4 1 659 74 74 GLU CA C 61.692 0.4 1 660 74 74 GLU CB C 35.773 0.4 1 661 74 74 GLU N N 120.634 0.1 1 662 75 75 ASN H H 8.118 0.04 1 663 75 75 ASN HA H 4.935 0.04 1 664 75 75 ASN HB2 H 2.955 0.04 2 665 75 75 ASN HB3 H 2.869 0.04 2 666 75 75 ASN HD21 H 7.546 0.04 1 667 75 75 ASN HD22 H 6.893 0.04 1 668 75 75 ASN C C 174.608 0.4 1 669 75 75 ASN CA C 54.312 0.4 1 670 75 75 ASN CB C 40.029 0.4 1 671 75 75 ASN N N 114.271 0.1 1 672 75 75 ASN ND2 N 112.974 0.1 1 673 76 76 ALA H H 7.229 0.04 1 674 76 76 ALA HA H 4.286 0.04 1 675 76 76 ALA HB H 1.356 0.04 1 676 76 76 ALA C C 177.299 0.4 1 677 76 76 ALA CA C 55.958 0.4 1 678 76 76 ALA CB C 23.223 0.4 1 679 76 76 ALA N N 121.777 0.1 1 680 77 77 VAL H H 7.931 0.04 1 681 77 77 VAL HA H 4.309 0.04 1 682 77 77 VAL HB H 1.880 0.04 1 683 77 77 VAL HG1 H 1.081 0.04 2 684 77 77 VAL HG2 H 0.943 0.04 2 685 77 77 VAL N N 119.111 0.1 1 686 78 78 PRO HA H 4.374 0.04 1 687 78 78 PRO HB2 H 2.235 0.04 1 688 78 78 PRO HB3 H 2.235 0.04 1 689 78 78 PRO HD2 H 3.762 0.04 1 690 78 78 PRO HD3 H 3.762 0.04 1 691 78 78 PRO HG2 H 1.933 0.04 1 692 78 78 PRO HG3 H 1.933 0.04 1 693 79 79 THR H H 8.231 0.04 1 694 79 79 THR HA H 4.208 0.04 1 695 79 79 THR HB H 4.083 0.04 1 696 79 79 THR HG2 H 1.121 0.04 1 stop_ save_