data_16426 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR-derived structure of residues 29-138 of murine Ets-1, containing the PNT domain, along with phosphorylated Thr38 and Ser41 ; _BMRB_accession_number 16426 _BMRB_flat_file_name bmr16426.str _Entry_type original _Submission_date 2009-07-27 _Accession_date 2009-07-27 _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 Kang Hyun-Seo . . 2 Lee Gregory M. . 3 Nelson Mary L. . 4 Graves Barbara J. . 5 Blaszczak Adam G. . 6 McIntosh Lawrence P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 675 "13C chemical shifts" 503 "15N chemical shifts" 119 "T1 relaxation values" 103 "T2 relaxation values" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-28 update BMRB 'edit entity/assembly name' 2009-12-18 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Detection and assignment of phosphoserine and phosphothreonine residues by (13)C- (31)P spin-echo difference NMR spectroscopy.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19002654 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 McIntosh Lawrence P. . 2 Kang Hyun-Seo . . 3 Okon Mark . . 4 Nelson Mary L. . 5 Graves Barbara J. . 6 Brutscher Bernhard . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 43 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 31 _Page_last 37 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'murine Ets-1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'murine Ets-1' $entity_1 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 'murine Ets-1' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; GSHMECADVPLLXPSXKEMM SQALKATFSGFTKEQQRLGI PKDPRQWTETHVRDWVMWAV NEFSLKGVDFQKFCMSGAAL CALGKECFLELAPDFVGDIL WEHLEILQKEDVK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 26 GLY 2 27 SER 3 28 HIS 4 29 MET 5 30 GLU 6 31 CYS 7 32 ALA 8 33 ASP 9 34 VAL 10 35 PRO 11 36 LEU 12 37 LEU 13 38 TPO 14 39 PRO 15 40 SER 16 41 SEP 17 42 LYS 18 43 GLU 19 44 MET 20 45 MET 21 46 SER 22 47 GLN 23 48 ALA 24 49 LEU 25 50 LYS 26 51 ALA 27 52 THR 28 53 PHE 29 54 SER 30 55 GLY 31 56 PHE 32 57 THR 33 58 LYS 34 59 GLU 35 60 GLN 36 61 GLN 37 62 ARG 38 63 LEU 39 64 GLY 40 65 ILE 41 66 PRO 42 67 LYS 43 68 ASP 44 69 PRO 45 70 ARG 46 71 GLN 47 72 TRP 48 73 THR 49 74 GLU 50 75 THR 51 76 HIS 52 77 VAL 53 78 ARG 54 79 ASP 55 80 TRP 56 81 VAL 57 82 MET 58 83 TRP 59 84 ALA 60 85 VAL 61 86 ASN 62 87 GLU 63 88 PHE 64 89 SER 65 90 LEU 66 91 LYS 67 92 GLY 68 93 VAL 69 94 ASP 70 95 PHE 71 96 GLN 72 97 LYS 73 98 PHE 74 99 CYS 75 100 MET 76 101 SER 77 102 GLY 78 103 ALA 79 104 ALA 80 105 LEU 81 106 CYS 82 107 ALA 83 108 LEU 84 109 GLY 85 110 LYS 86 111 GLU 87 112 CYS 88 113 PHE 89 114 LEU 90 115 GLU 91 116 LEU 92 117 ALA 93 118 PRO 94 119 ASP 95 120 PHE 96 121 VAL 97 122 GLY 98 123 ASP 99 124 ILE 100 125 LEU 101 126 TRP 102 127 GLU 103 128 HIS 104 129 LEU 105 130 GLU 106 131 ILE 107 132 LEU 108 133 GLN 109 134 LYS 110 135 GLU 111 136 ASP 112 137 VAL 113 138 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-19 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 4205 "ETS-1 Pointed domain" 97.35 110 98.18 98.18 1.69e-72 PDB 2JV3 "Ets-1 Pnt Domain (29-138) Nmr Structure Ensemble" 97.35 110 98.18 98.18 1.69e-72 PDB 2KMD "Ras Signaling Requires Dynamic Properties Of Ets1 For Phosphorylation- Enhanced Binding To Co-Activator Cbp" 100.00 113 100.00 100.00 9.13e-75 DBJ BAE40197 "unnamed protein product [Mus musculus]" 97.35 440 98.18 98.18 2.69e-70 EMBL CAA37904 "proto-oncogene [Mus musculus]" 97.35 440 98.18 98.18 2.69e-70 GB AAA21093 "proto-oncogene [Rattus norvegicus]" 97.35 441 97.27 98.18 6.17e-70 GB AAA63299 "EGF receptor-related protein [Mus musculus domesticus]" 97.35 440 97.27 97.27 3.56e-69 GB AAH10588 "Ets1 protein [Mus musculus]" 97.35 440 98.18 98.18 2.69e-70 GB AAH13089 "Ets1 protein, partial [Mus musculus]" 80.53 393 100.00 100.00 1.33e-58 GB AAI01928 "Ets1 protein [Rattus norvegicus]" 97.35 441 97.27 98.18 6.17e-70 REF NP_001033731 "protein C-ets-1 isoform 2 [Mus musculus]" 97.35 353 98.18 98.18 1.08e-70 REF NP_035938 "protein C-ets-1 isoform 1 [Mus musculus]" 97.35 440 98.18 98.18 2.69e-70 REF NP_036687 "protein C-ets-1 [Rattus norvegicus]" 97.35 441 97.27 98.18 6.17e-70 REF XP_003500343 "PREDICTED: protein C-ets-1 isoform X1 [Cricetulus griseus]" 97.35 354 97.27 98.18 1.75e-70 REF XP_005347065 "PREDICTED: protein C-ets-1 [Microtus ochrogaster]" 97.35 441 97.27 98.18 6.17e-70 SP P27577 "RecName: Full=Protein C-ets-1; AltName: Full=p54" 97.35 440 98.18 98.18 2.69e-70 SP P41156 "RecName: Full=Protein C-ets-1; AltName: Full=p54" 97.35 441 97.27 98.18 6.17e-70 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_SEP _Saveframe_category polymer_residue _Mol_type 'L-peptide linking' _Name_common PHOSPHOSERINE _BMRB_code . _PDB_code SEP _Standard_residue_derivative . _Molecular_mass 185.072 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:10:32 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? OG OG O . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HXT HXT H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N H2 ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB OG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING OG P ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HOP2 ? ? SING O3P HOP3 ? ? stop_ save_ save_chem_comp_TPO _Saveframe_category polymer_residue _Mol_type 'L-peptide linking' _Name_common PHOSPHOTHREONINE _BMRB_code . _PDB_code TPO _Standard_residue_derivative . _Molecular_mass 199.099 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:30:04 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? CG2 CG2 C . 0 . ? OG1 OG1 O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HB HB H . 0 . ? HG21 HG21 H . 0 . ? HG22 HG22 H . 0 . ? HG23 HG23 H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 H . 0 . ? HXT HXT H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N H2 ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB CG2 ? ? SING CB OG1 ? ? SING CB HB ? ? SING CG2 HG21 ? ? SING CG2 HG22 ? ? SING CG2 HG23 ? ? SING OG1 P ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HOP2 ? ? SING O3P HOP3 ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? stop_ 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 Mouse 10090 Eukaryota Metazoa Mus musculus 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 $entity_1 'recombinant technology' . Escherichia coli . pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_SCULPTOR _Saveframe_category software _Name SCULPTOR _Version . loop_ _Vendor _Address _Electronic_address '(SCULPTOR)-Martin Blackledge' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_IPAP_9 _Saveframe_category NMR_applied_experiment _Experiment_name IPAP _Sample_label $sample_1 save_ save_CLEANEX_10 _Saveframe_category NMR_applied_experiment _Experiment_name CLEANEX _Sample_label $sample_1 save_ save_T1_T2_HNNOE_11 _Saveframe_category NMR_applied_experiment _Experiment_name T1_T2_HNNOE _Sample_label $sample_1 save_ save_HNCOCA_HACA_12 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA_HACA _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 6.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_2P_ETS1PNT_CSHIFT _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCACB' '3D HCCH-TOCSY' '3D 1H-15N TOCSY' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'murine Ets-1' _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 28 3 HIS HA H 4.685 0.03 1 2 28 3 HIS HB2 H 3.228 0.03 2 3 28 3 HIS HB3 H 3.151 0.03 2 4 28 3 HIS HE1 H 8.305 0.03 1 5 28 3 HIS C C 174.655 0.4 . 6 28 3 HIS CA C 56.05 0.4 1 7 28 3 HIS CB C 29.665 0.4 1 8 28 3 HIS CE1 C 137.304 0.4 1 9 29 4 MET H H 8.36 0.03 1 10 29 4 MET HA H 4.435 0.03 1 11 29 4 MET HB2 H 2.065 0.03 2 12 29 4 MET HB3 H 1.947 0.03 2 13 29 4 MET HE H 2.071 0.03 . 14 29 4 MET HG2 H 2.528 0.03 2 15 29 4 MET HG3 H 2.462 0.03 2 16 29 4 MET C C 175.966 0.4 . 17 29 4 MET CA C 55.603 0.4 1 18 29 4 MET CB C 32.991 0.4 1 19 29 4 MET CE C 16.901 0.4 1 20 29 4 MET CG C 31.962 0.4 1 21 29 4 MET N N 121.781 0.4 1 22 30 5 GLU H H 8.551 0.03 1 23 30 5 GLU HA H 4.292 0.03 1 24 30 5 GLU HB2 H 2.073 0.03 2 25 30 5 GLU HB3 H 1.951 0.03 2 26 30 5 GLU HG2 H 2.273 0.03 . 27 30 5 GLU HG3 H 2.273 0.03 . 28 30 5 GLU C C 176.261 0.4 . 29 30 5 GLU CA C 56.785 0.4 1 30 30 5 GLU CB C 30.079 0.4 1 31 30 5 GLU CG C 36.191 0.4 1 32 30 5 GLU N N 122.316 0.4 1 33 31 6 CYS H H 8.334 0.03 1 34 31 6 CYS HA H 4.478 0.03 1 35 31 6 CYS HB2 H 2.924 0.03 . 36 31 6 CYS HB3 H 2.924 0.03 . 37 31 6 CYS C C 174.053 0.4 . 38 31 6 CYS CA C 58.287 0.4 1 39 31 6 CYS CB C 28.2 0.4 1 40 31 6 CYS N N 119.969 0.4 1 41 32 7 ALA H H 8.368 0.03 1 42 32 7 ALA HA H 4.341 0.03 1 43 32 7 ALA HB H 1.375 0.03 . 44 32 7 ALA C C 177.127 0.4 . 45 32 7 ALA CA C 52.588 0.4 1 46 32 7 ALA CB C 19.505 0.4 1 47 32 7 ALA N N 126.345 0.4 1 48 33 8 ASP H H 8.23 0.03 1 49 33 8 ASP HA H 4.57 0.03 1 50 33 8 ASP HB2 H 2.668 0.03 2 51 33 8 ASP HB3 H 2.546 0.03 2 52 33 8 ASP C C 175.694 0.4 . 53 33 8 ASP CA C 54.392 0.4 1 54 33 8 ASP CB C 41.133 0.4 1 55 33 8 ASP N N 119.495 0.4 1 56 34 9 VAL H H 7.887 0.03 1 57 34 9 VAL HA H 4.406 0.03 1 58 34 9 VAL HB H 2.073 0.03 1 59 34 9 VAL HG1 H 0.942 0.03 . 60 34 9 VAL HG2 H 0.902 0.03 . 61 34 9 VAL CA C 59.972 0.4 1 62 34 9 VAL CB C 32.82 0.4 1 63 34 9 VAL CG1 C 21.174 0.4 2 64 34 9 VAL CG2 C 20.179 0.4 2 65 34 9 VAL N N 121.031 0.4 1 66 35 10 PRO HA H 4.388 0.03 1 67 35 10 PRO HB2 H 2.257 0.03 2 68 35 10 PRO HB3 H 1.849 0.03 2 69 35 10 PRO HD2 H 3.812 0.03 2 70 35 10 PRO HD3 H 3.66 0.03 2 71 35 10 PRO HG2 H 1.993 0.03 . 72 35 10 PRO HG3 H 1.993 0.03 . 73 35 10 PRO C C 176.452 0.4 . 74 35 10 PRO CA C 63.02 0.4 1 75 35 10 PRO CB C 32.144 0.4 1 76 35 10 PRO CD C 50.909 0.4 1 77 35 10 PRO CG C 27.351 0.4 1 78 36 11 LEU H H 8.251 0.03 1 79 36 11 LEU HA H 4.335 0.03 1 80 36 11 LEU HB2 H 1.599 0.03 . 81 36 11 LEU HB3 H 1.599 0.03 . 82 36 11 LEU HD1 H 0.91 0.03 . 83 36 11 LEU HD2 H 0.873 0.03 . 84 36 11 LEU HG H 0.914 0.03 1 85 36 11 LEU C C 176.995 0.4 . 86 36 11 LEU CA C 54.953 0.4 1 87 36 11 LEU CB C 42.394 0.4 1 88 36 11 LEU CD1 C 24.96 0.4 2 89 36 11 LEU CD2 C 23.852 0.4 2 90 36 11 LEU CG C 26.996 0.4 1 91 36 11 LEU N N 122.734 0.4 1 92 37 12 LEU H H 8.126 0.03 1 93 37 12 LEU HA H 4.429 0.03 1 94 37 12 LEU HB2 H 1.587 0.03 . 95 37 12 LEU HB3 H 1.587 0.03 . 96 37 12 LEU HD1 H 0.915 0.03 . 97 37 12 LEU HD2 H 0.862 0.03 . 98 37 12 LEU HG H 0.916 0.03 1 99 37 12 LEU C C 176.916 0.4 . 100 37 12 LEU CA C 54.74 0.4 1 101 37 12 LEU CB C 42.755 0.4 1 102 37 12 LEU CD1 C 24.998 0.4 2 103 37 12 LEU CD2 C 23.705 0.4 2 104 37 12 LEU CG C 27.009 0.4 1 105 37 12 LEU N N 123.659 0.4 1 106 38 13 TPO H H 8.649 0.03 1 107 38 13 TPO HA H 4.593 0.03 1 108 38 13 TPO HB H 4.463 0.03 1 109 38 13 TPO HG21 H 1.329 0.03 . 110 38 13 TPO HG22 H 1.329 0.03 . 111 38 13 TPO HG23 H 1.329 0.03 . 112 38 13 TPO CA C 59.912 0.4 1 113 38 13 TPO CB C 73.21 0.4 1 114 38 13 TPO CG2 C 20.504 0.4 1 115 38 13 TPO N N 119.848 0.4 1 116 39 14 PRO HA H 4.442 0.03 1 117 39 14 PRO HB2 H 2.295 0.03 2 118 39 14 PRO HB3 H 1.945 0.03 2 119 39 14 PRO HD2 H 3.917 0.03 2 120 39 14 PRO HD3 H 3.746 0.03 2 121 39 14 PRO HG2 H 2.062 0.03 2 122 39 14 PRO HG3 H 1.969 0.03 2 123 39 14 PRO C C 176.892 0.4 . 124 39 14 PRO CA C 63.392 0.4 1 125 39 14 PRO CB C 32.341 0.4 1 126 39 14 PRO CD C 51.283 0.4 1 127 39 14 PRO CG C 27.579 0.4 1 128 40 15 SER H H 8.589 0.03 1 129 40 15 SER HA H 4.494 0.03 1 130 40 15 SER HB2 H 4.105 0.03 2 131 40 15 SER HB3 H 3.903 0.03 2 132 40 15 SER C C 175.273 0.4 . 133 40 15 SER CA C 58.229 0.4 1 134 40 15 SER CB C 64.213 0.4 1 135 40 15 SER N N 117.174 0.4 1 136 41 16 SEP H H 9.191 0.03 1 137 41 16 SEP HA H 4.406 0.03 1 138 41 16 SEP HB2 H 4.128 0.03 . 139 41 16 SEP HB3 H 4.128 0.03 . 140 41 16 SEP C C 175.617 0.4 . 141 41 16 SEP CA C 59.035 0.4 1 142 41 16 SEP CB C 65.454 0.4 1 143 41 16 SEP N N 119.524 0.4 1 144 42 17 LYS H H 8.128 0.03 1 145 42 17 LYS HA H 4.244 0.03 1 146 42 17 LYS HB2 H 1.832 0.03 . 147 42 17 LYS HB3 H 1.832 0.03 . 148 42 17 LYS HD2 H 1.682 0.03 . 149 42 17 LYS HD3 H 1.682 0.03 . 150 42 17 LYS HE2 H 2.983 0.03 . 151 42 17 LYS HE3 H 2.983 0.03 . 152 42 17 LYS HG2 H 1.475 0.03 . 153 42 17 LYS HG3 H 1.475 0.03 . 154 42 17 LYS C C 177.615 0.4 . 155 42 17 LYS CA C 57.607 0.4 1 156 42 17 LYS CB C 32.737 0.4 1 157 42 17 LYS CD C 29.036 0.4 1 158 42 17 LYS CE C 42.193 0.4 1 159 42 17 LYS CG C 25.043 0.4 1 160 42 17 LYS N N 122.35 0.4 1 161 43 18 GLU H H 8.013 0.03 1 162 43 18 GLU HA H 4.223 0.03 1 163 43 18 GLU HB2 H 2.07 0.03 . 164 43 18 GLU HB3 H 2.07 0.03 . 165 43 18 GLU HG2 H 2.286 0.03 . 166 43 18 GLU HG3 H 2.286 0.03 . 167 43 18 GLU C C 177.567 0.4 . 168 43 18 GLU CA C 57.612 0.4 1 169 43 18 GLU CB C 29.889 0.4 1 170 43 18 GLU CG C 36.332 0.4 1 171 43 18 GLU N N 120.914 0.4 1 172 44 19 MET H H 8.253 0.03 1 173 44 19 MET HA H 4.372 0.03 1 174 44 19 MET HB2 H 2.66 0.03 2 175 44 19 MET HB3 H 2.584 0.03 2 176 44 19 MET HE H 2.085 0.03 . 177 44 19 MET HG2 H 2.267 0.03 2 178 44 19 MET HG3 H 2.074 0.03 2 179 44 19 MET C C 177.528 0.4 . 180 44 19 MET CA C 56.811 0.4 1 181 44 19 MET CB C 32.464 0.4 1 182 44 19 MET CE C 17.129 0.4 1 183 44 19 MET N N 120.006 0.4 1 184 45 20 MET H H 8.233 0.03 1 185 45 20 MET HA H 4.385 0.03 1 186 45 20 MET HB2 H 2.647 0.03 2 187 45 20 MET HB3 H 2.561 0.03 2 188 45 20 MET HE H 2.067 0.03 . 189 45 20 MET HG2 H 2.109 0.03 . 190 45 20 MET HG3 H 2.109 0.03 . 191 45 20 MET C C 177.091 0.4 . 192 45 20 MET CA C 56.835 0.4 1 193 45 20 MET CB C 32.493 0.4 1 194 45 20 MET CE C 17.122 0.4 1 195 45 20 MET CG C 32.448 0.4 1 196 45 20 MET N N 120.448 0.4 1 197 46 21 SER H H 8.237 0.03 1 198 46 21 SER HA H 4.332 0.03 1 199 46 21 SER HB2 H 3.983 0.03 . 200 46 21 SER HB3 H 3.983 0.03 . 201 46 21 SER C C 175.863 0.4 . 202 46 21 SER CA C 59.881 0.4 1 203 46 21 SER CB C 63.386 0.4 1 204 46 21 SER N N 116.295 0.4 1 205 47 22 GLN H H 8.343 0.03 1 206 47 22 GLN HA H 4.176 0.03 1 207 47 22 GLN HB2 H 2.122 0.03 . 208 47 22 GLN HB3 H 2.122 0.03 . 209 47 22 GLN HE21 H 7.55 0.03 2 210 47 22 GLN HE22 H 6.854 0.03 2 211 47 22 GLN HG2 H 2.465 0.03 . 212 47 22 GLN HG3 H 2.465 0.03 . 213 47 22 GLN C C 177.387 0.4 . 214 47 22 GLN CA C 57.62 0.4 1 215 47 22 GLN CB C 28.733 0.4 1 216 47 22 GLN CG C 33.857 0.4 1 217 47 22 GLN N N 121.467 0.4 1 218 47 22 GLN NE2 N 112.103 0.4 1 219 48 23 ALA H H 8.107 0.03 1 220 48 23 ALA HA H 4.226 0.03 1 221 48 23 ALA HB H 1.455 0.03 . 222 48 23 ALA C C 179.262 0.4 . 223 48 23 ALA CA C 54.01 0.4 1 224 48 23 ALA CB C 18.606 0.4 1 225 48 23 ALA N N 123.308 0.4 1 226 49 24 LEU H H 8.005 0.03 1 227 49 24 LEU HA H 4.15 0.03 1 228 49 24 LEU HB2 H 1.704 0.03 2 229 49 24 LEU HB3 H 1.574 0.03 2 230 49 24 LEU HD1 H 0.91 0.03 . 231 49 24 LEU HD2 H 0.877 0.03 . 232 49 24 LEU HG H 0.924 0.03 1 233 49 24 LEU C C 178.175 0.4 . 234 49 24 LEU CA C 56.727 0.4 1 235 49 24 LEU CB C 42.045 0.4 1 236 49 24 LEU CD1 C 24.968 0.4 2 237 49 24 LEU CD2 C 23.914 0.4 2 238 49 24 LEU CG C 27.04 0.4 1 239 49 24 LEU N N 120.041 0.4 1 240 50 25 LYS H H 8.012 0.03 1 241 50 25 LYS HA H 4.109 0.03 1 242 50 25 LYS HB2 H 1.896 0.03 . 243 50 25 LYS HB3 H 1.896 0.03 . 244 50 25 LYS HD2 H 1.709 0.03 . 245 50 25 LYS HD3 H 1.709 0.03 . 246 50 25 LYS HE2 H 3.003 0.03 . 247 50 25 LYS HE3 H 3.003 0.03 . 248 50 25 LYS HG2 H 1.58 0.03 2 249 50 25 LYS HG3 H 1.462 0.03 2 250 50 25 LYS C C 178.231 0.4 . 251 50 25 LYS CA C 58.542 0.4 1 252 50 25 LYS CB C 32.546 0.4 1 253 50 25 LYS CD C 29.443 0.4 1 254 50 25 LYS CE C 42.145 0.4 1 255 50 25 LYS CG C 25.4 0.4 1 256 50 25 LYS N N 119.442 0.4 1 257 51 26 ALA H H 8.052 0.03 1 258 51 26 ALA HA H 4.29 0.03 1 259 51 26 ALA HB H 1.414 0.03 . 260 51 26 ALA C C 179.409 0.4 . 261 51 26 ALA CA C 54.034 0.4 1 262 51 26 ALA CB C 18.62 0.4 1 263 51 26 ALA N N 122.532 0.4 1 264 52 27 THR H H 7.942 0.03 1 265 52 27 THR HA H 4.131 0.03 1 266 52 27 THR HB H 4.08 0.03 1 267 52 27 THR HG2 H 0.944 0.03 . 268 52 27 THR C C 176.233 0.4 . 269 52 27 THR CA C 64.645 0.4 1 270 52 27 THR CB C 69.313 0.4 1 271 52 27 THR CG2 C 21.9 0.4 1 272 52 27 THR N N 114.833 0.4 1 273 53 28 PHE H H 8.306 0.03 1 274 53 28 PHE HA H 4.947 0.03 1 275 53 28 PHE HB2 H 3.271 0.03 2 276 53 28 PHE HB3 H 2.994 0.03 2 277 53 28 PHE HD1 H 7.099 0.03 . 278 53 28 PHE HD2 H 7.099 0.03 . 279 53 28 PHE HE1 H 7.145 0.03 . 280 53 28 PHE HE2 H 7.145 0.03 . 281 53 28 PHE HZ H 7.268 0.03 1 282 53 28 PHE C C 178.346 0.4 . 283 53 28 PHE CA C 58.451 0.4 1 284 53 28 PHE CB C 38.541 0.4 1 285 53 28 PHE CD1 C 130.978 0.4 . 286 53 28 PHE CD2 C 130.978 0.4 . 287 53 28 PHE CE1 C 130.754 0.4 . 288 53 28 PHE CE2 C 130.754 0.4 . 289 53 28 PHE CZ C 129.947 0.4 1 290 53 28 PHE N N 119.136 0.4 1 291 54 29 SER H H 8.172 0.03 1 292 54 29 SER HA H 4.414 0.03 1 293 54 29 SER HB2 H 4.139 0.03 . 294 54 29 SER HB3 H 4.139 0.03 . 295 54 29 SER C C 176.742 0.4 . 296 54 29 SER CA C 61.662 0.4 1 297 54 29 SER CB C 63.035 0.4 1 298 54 29 SER N N 117.279 0.4 1 299 55 30 GLY H H 9.105 0.03 1 300 55 30 GLY HA2 H 4.175 0.03 2 301 55 30 GLY HA3 H 4.412 0.03 2 302 55 30 GLY C C 176.014 0.4 . 303 55 30 GLY CA C 46.779 0.4 1 304 55 30 GLY N N 110.672 0.4 1 305 56 31 PHE H H 7.817 0.03 1 306 56 31 PHE HA H 3.437 0.03 1 307 56 31 PHE HB2 H 2.845 0.03 2 308 56 31 PHE HB3 H 1.801 0.03 2 309 56 31 PHE HD1 H 6.541 0.03 . 310 56 31 PHE HD2 H 6.541 0.03 . 311 56 31 PHE HE1 H 7.085 0.03 . 312 56 31 PHE HE2 H 7.085 0.03 . 313 56 31 PHE HZ H 6.913 0.03 1 314 56 31 PHE C C 176.199 0.4 . 315 56 31 PHE CA C 59.246 0.4 1 316 56 31 PHE CB C 37.653 0.4 1 317 56 31 PHE CD1 C 132.629 0.4 . 318 56 31 PHE CD2 C 132.629 0.4 . 319 56 31 PHE CE1 C 130.306 0.4 . 320 56 31 PHE CE2 C 130.306 0.4 . 321 56 31 PHE CZ C 129.26 0.4 1 322 56 31 PHE N N 121.382 0.4 1 323 57 32 THR H H 7.588 0.03 1 324 57 32 THR HA H 4.056 0.03 1 325 57 32 THR HB H 4.158 0.03 1 326 57 32 THR HG2 H 1.252 0.03 . 327 57 32 THR C C 176.274 0.4 . 328 57 32 THR CA C 65.856 0.4 1 329 57 32 THR CB C 68.437 0.4 1 330 57 32 THR CG2 C 22.237 0.4 1 331 57 32 THR N N 114.232 0.4 1 332 58 33 LYS H H 7.384 0.03 1 333 58 33 LYS HA H 4.038 0.03 1 334 58 33 LYS HB2 H 1.916 0.03 . 335 58 33 LYS HB3 H 1.916 0.03 . 336 58 33 LYS HD2 H 1.741 0.03 . 337 58 33 LYS HD3 H 1.741 0.03 . 338 58 33 LYS HE2 H 3.042 0.03 . 339 58 33 LYS HE3 H 3.042 0.03 . 340 58 33 LYS HG2 H 1.518 0.03 . 341 58 33 LYS HG3 H 1.518 0.03 . 342 58 33 LYS C C 178.895 0.4 . 343 58 33 LYS CA C 59.071 0.4 1 344 58 33 LYS CB C 32.162 0.4 1 345 58 33 LYS CD C 29.164 0.4 1 346 58 33 LYS CE C 42.112 0.4 1 347 58 33 LYS CG C 25.071 0.4 1 348 58 33 LYS N N 119.404 0.4 1 349 59 34 GLU H H 6.935 0.03 1 350 59 34 GLU HA H 4.424 0.03 1 351 59 34 GLU HB2 H 1.668 0.03 . 352 59 34 GLU HB3 H 1.668 0.03 . 353 59 34 GLU HG2 H 2.284 0.03 . 354 59 34 GLU HG3 H 2.284 0.03 . 355 59 34 GLU C C 178.04 0.4 . 356 59 34 GLU CA C 57.749 0.4 1 357 59 34 GLU CB C 29.583 0.4 1 358 59 34 GLU CG C 34.502 0.4 1 359 59 34 GLU N N 122.157 0.4 1 360 60 35 GLN H H 8.232 0.03 1 361 60 35 GLN HA H 3.316 0.03 1 362 60 35 GLN HB2 H 1.808 0.03 2 363 60 35 GLN HB3 H 1.533 0.03 2 364 60 35 GLN HE21 H 6.937 0.03 2 365 60 35 GLN HE22 H 6.379 0.03 2 366 60 35 GLN HG2 H 1.539 0.03 2 367 60 35 GLN HG3 H 1.361 0.03 2 368 60 35 GLN C C 178.559 0.4 . 369 60 35 GLN CA C 59.148 0.4 1 370 60 35 GLN CB C 28.624 0.4 1 371 60 35 GLN CG C 34.643 0.4 1 372 60 35 GLN N N 118.321 0.4 1 373 60 35 GLN NE2 N 110.927 0.4 1 374 61 36 GLN H H 7.344 0.03 1 375 61 36 GLN HA H 3.961 0.03 1 376 61 36 GLN HB2 H 2.056 0.03 . 377 61 36 GLN HB3 H 2.056 0.03 . 378 61 36 GLN HE21 H 7.354 0.03 2 379 61 36 GLN HE22 H 6.736 0.03 2 380 61 36 GLN HG2 H 2.447 0.03 2 381 61 36 GLN HG3 H 2.314 0.03 2 382 61 36 GLN C C 178.342 0.4 . 383 61 36 GLN CA C 58.114 0.4 1 384 61 36 GLN CB C 28.32 0.4 1 385 61 36 GLN CG C 33.708 0.4 1 386 61 36 GLN N N 116.092 0.4 1 387 61 36 GLN NE2 N 111.455 0.4 1 388 62 37 ARG H H 7.887 0.03 1 389 62 37 ARG HA H 3.965 0.03 1 390 62 37 ARG HB2 H 1.896 0.03 . 391 62 37 ARG HB3 H 1.896 0.03 . 392 62 37 ARG HD2 H 3.372 0.03 2 393 62 37 ARG HD3 H 3.023 0.03 2 394 62 37 ARG HE H 8.111 0.03 . 395 62 37 ARG HG2 H 1.616 0.03 2 396 62 37 ARG HG3 H 1.437 0.03 2 397 62 37 ARG C C 178.21 0.4 . 398 62 37 ARG CA C 59.551 0.4 1 399 62 37 ARG CB C 31.541 0.4 1 400 62 37 ARG CD C 43.28 0.4 1 401 62 37 ARG CG C 28.236 0.4 1 402 62 37 ARG N N 120.934 0.4 1 403 62 37 ARG NE N 83.188 0.4 1 404 63 38 LEU H H 8.005 0.03 1 405 63 38 LEU HA H 4.371 0.03 1 406 63 38 LEU HB2 H 1.531 0.03 . 407 63 38 LEU HB3 H 1.531 0.03 . 408 63 38 LEU HD1 H 0.837 0.03 . 409 63 38 LEU HD2 H 0.831 0.03 . 410 63 38 LEU HG H 1.531 0.03 1 411 63 38 LEU C C 177.509 0.4 . 412 63 38 LEU CA C 54.3 0.4 1 413 63 38 LEU CB C 43.306 0.4 1 414 63 38 LEU CD1 C 25.855 0.4 2 415 63 38 LEU CD2 C 22.037 0.4 2 416 63 38 LEU CG C 27.247 0.4 1 417 63 38 LEU N N 114.447 0.4 1 418 64 39 GLY H H 7.527 0.03 1 419 64 39 GLY HA2 H 3.825 0.03 . 420 64 39 GLY HA3 H 3.825 0.03 . 421 64 39 GLY C C 174.942 0.4 . 422 64 39 GLY CA C 46.859 0.4 1 423 64 39 GLY N N 110.578 0.4 1 424 65 40 ILE H H 7.806 0.03 1 425 65 40 ILE HA H 3.479 0.03 1 426 65 40 ILE HB H 1.216 0.03 1 427 65 40 ILE HD1 H 0.626 0.03 . 428 65 40 ILE HG12 H 1.383 0.03 2 429 65 40 ILE HG13 H 0.719 0.03 2 430 65 40 ILE HG2 H 0.303 0.03 . 431 65 40 ILE CA C 59.272 0.4 1 432 65 40 ILE CB C 39.706 0.4 1 433 65 40 ILE CD1 C 13.742 0.4 1 434 65 40 ILE CG2 C 16.156 0.4 1 435 65 40 ILE N N 121.55 0.4 1 436 66 41 PRO HA H 4.28 0.03 1 437 66 41 PRO HB2 H 2.54 0.03 2 438 66 41 PRO HB3 H 1.815 0.03 2 439 66 41 PRO HD2 H 3.189 0.03 . 440 66 41 PRO HD3 H 3.189 0.03 . 441 66 41 PRO HG2 H 2.002 0.03 . 442 66 41 PRO HG3 H 2.002 0.03 . 443 66 41 PRO C C 176.476 0.4 . 444 66 41 PRO CA C 62.721 0.4 1 445 66 41 PRO CB C 32.896 0.4 1 446 66 41 PRO CD C 50.366 0.4 1 447 66 41 PRO CG C 27.101 0.4 1 448 67 42 LYS H H 8.395 0.03 1 449 67 42 LYS HA H 3.887 0.03 1 450 67 42 LYS HB2 H 1.734 0.03 . 451 67 42 LYS HB3 H 1.734 0.03 . 452 67 42 LYS HE2 H 2.973 0.03 . 453 67 42 LYS HE3 H 2.973 0.03 . 454 67 42 LYS C C 175.962 0.4 . 455 67 42 LYS CA C 58.778 0.4 1 456 67 42 LYS CB C 32.72 0.4 1 457 67 42 LYS CD C 29.028 0.4 1 458 67 42 LYS CE C 42.062 0.4 1 459 67 42 LYS CG C 24.986 0.4 1 460 67 42 LYS N N 122.331 0.4 1 461 68 43 ASP H H 7.474 0.03 1 462 68 43 ASP HA H 4.691 0.03 1 463 68 43 ASP HB2 H 2.739 0.03 2 464 68 43 ASP HB3 H 2.428 0.03 2 465 68 43 ASP CA C 49.569 0.4 1 466 68 43 ASP CB C 42.462 0.4 1 467 68 43 ASP N N 115.763 0.4 1 468 69 44 PRO HA H 1.19 0.03 1 469 69 44 PRO HB2 H 0.395 0.03 2 470 69 44 PRO HB3 H -0.304 0.03 2 471 69 44 PRO HD2 H 3.435 0.03 . 472 69 44 PRO HD3 H 3.435 0.03 . 473 69 44 PRO HG2 H 1.059 0.03 2 474 69 44 PRO HG3 H 0.762 0.03 2 475 69 44 PRO C C 177.394 0.4 . 476 69 44 PRO CA C 61.84 0.4 1 477 69 44 PRO CB C 30.035 0.4 1 478 69 44 PRO CD C 50.248 0.4 1 479 69 44 PRO CG C 27.433 0.4 1 480 70 45 ARG H H 7.941 0.03 1 481 70 45 ARG HA H 3.431 0.03 1 482 70 45 ARG HB2 H 1.757 0.03 2 483 70 45 ARG HB3 H 1.522 0.03 2 484 70 45 ARG HD2 H 3.162 0.03 2 485 70 45 ARG HD3 H 3.071 0.03 2 486 70 45 ARG HE H 7.844 0.03 1 487 70 45 ARG HG2 H 1.587 0.03 2 488 70 45 ARG HG3 H 1.511 0.03 2 489 70 45 ARG C C 178.74 0.4 . 490 70 45 ARG CA C 58.64 0.4 1 491 70 45 ARG CB C 28.708 0.4 1 492 70 45 ARG CD C 43.144 0.4 1 493 70 45 ARG CG C 28.666 0.4 1 494 70 45 ARG N N 116.087 0.4 1 495 70 45 ARG NE N 85.505 0.4 1 496 71 46 GLN H H 8.117 0.03 1 497 71 46 GLN HA H 4.433 0.03 1 498 71 46 GLN HB2 H 2.482 0.03 2 499 71 46 GLN HB3 H 2.038 0.03 2 500 71 46 GLN HE21 H 7.596 0.03 2 501 71 46 GLN HE22 H 6.804 0.03 2 502 71 46 GLN HG2 H 2.298 0.03 . 503 71 46 GLN HG3 H 2.298 0.03 . 504 71 46 GLN C C 179.589 0.4 . 505 71 46 GLN CA C 54.854 0.4 1 506 71 46 GLN CB C 29.071 0.4 1 507 71 46 GLN CG C 36.284 0.4 1 508 71 46 GLN N N 116.952 0.4 1 509 71 46 GLN NE2 N 112.584 0.4 1 510 72 47 TRP H H 7.607 0.03 1 511 72 47 TRP HA H 5.791 0.03 1 512 72 47 TRP HB2 H 3.706 0.03 2 513 72 47 TRP HB3 H 3.428 0.03 2 514 72 47 TRP HD1 H 6.349 0.03 1 515 72 47 TRP HE1 H 9.915 0.03 1 516 72 47 TRP HE3 H 7.252 0.03 1 517 72 47 TRP HH2 H 5.783 0.03 1 518 72 47 TRP HZ2 H 6.985 0.03 1 519 72 47 TRP HZ3 H 6.127 0.03 1 520 72 47 TRP C C 179.873 0.4 . 521 72 47 TRP CA C 55.475 0.4 1 522 72 47 TRP CB C 31.037 0.4 1 523 72 47 TRP CD1 C 122.846 0.4 1 524 72 47 TRP CE3 C 119.992 0.4 1 525 72 47 TRP CH2 C 125.477 0.4 1 526 72 47 TRP CZ2 C 112.614 0.4 1 527 72 47 TRP CZ3 C 122.238 0.4 1 528 72 47 TRP N N 120.756 0.4 1 529 72 47 TRP NE1 N 127.806 0.4 1 530 73 48 THR H H 11.122 0.03 1 531 73 48 THR HA H 4.772 0.03 1 532 73 48 THR HB H 4.76 0.03 1 533 73 48 THR HG2 H 1.434 0.03 . 534 73 48 THR C C 175.302 0.4 . 535 73 48 THR CA C 60.615 0.4 1 536 73 48 THR CB C 71.69 0.4 1 537 73 48 THR CG2 C 21.534 0.4 1 538 73 48 THR N N 121.743 0.4 1 539 74 49 GLU H H 9.446 0.03 1 540 74 49 GLU HA H 4.415 0.03 1 541 74 49 GLU HB2 H 2.013 0.03 . 542 74 49 GLU HB3 H 2.013 0.03 . 543 74 49 GLU HG2 H 2.229 0.03 . 544 74 49 GLU HG3 H 2.229 0.03 . 545 74 49 GLU C C 179.476 0.4 . 546 74 49 GLU CA C 59.665 0.4 1 547 74 49 GLU CB C 29.366 0.4 1 548 74 49 GLU CG C 36.259 0.4 1 549 74 49 GLU N N 118.686 0.4 1 550 75 50 THR H H 7.759 0.03 1 551 75 50 THR HA H 3.891 0.03 1 552 75 50 THR HB H 3.725 0.03 1 553 75 50 THR HG2 H 1.134 0.03 . 554 75 50 THR C C 174.998 0.4 . 555 75 50 THR CA C 66.477 0.4 1 556 75 50 THR CB C 68.371 0.4 1 557 75 50 THR CG2 C 22.035 0.4 1 558 75 50 THR N N 116.616 0.4 1 559 76 51 HIS H H 7.045 0.03 1 560 76 51 HIS HA H 4.25 0.03 1 561 76 51 HIS HB2 H 3.482 0.03 2 562 76 51 HIS HB3 H 2.244 0.03 2 563 76 51 HIS HD2 H 7.179 0.03 1 564 76 51 HIS HE1 H 7.913 0.03 1 565 76 51 HIS C C 177.431 0.4 . 566 76 51 HIS CA C 58.89 0.4 1 567 76 51 HIS CB C 31.142 0.4 1 568 76 51 HIS CD2 C 116.138 0.4 1 569 76 51 HIS CE1 C 138.21 0.4 1 570 76 51 HIS N N 123.042 0.4 1 571 77 52 VAL H H 8.281 0.03 1 572 77 52 VAL HA H 4.075 0.03 1 573 77 52 VAL HB H 2.683 0.03 1 574 77 52 VAL HG1 H 1.596 0.03 . 575 77 52 VAL HG2 H 1.682 0.03 . 576 77 52 VAL C C 177.762 0.4 . 577 77 52 VAL CA C 67.27 0.4 1 578 77 52 VAL CB C 32.83 0.4 1 579 77 52 VAL CG1 C 23.682 0.4 2 580 77 52 VAL CG2 C 23.251 0.4 2 581 77 52 VAL N N 116.419 0.4 1 582 78 53 ARG H H 7.839 0.03 1 583 78 53 ARG HA H 3.944 0.03 1 584 78 53 ARG HB2 H 2.084 0.03 . 585 78 53 ARG HB3 H 2.084 0.03 . 586 78 53 ARG HD2 H 3.151 0.03 . 587 78 53 ARG HD3 H 3.151 0.03 . 588 78 53 ARG HE H 6.966 0.03 1 589 78 53 ARG HG2 H 1.701 0.03 2 590 78 53 ARG HG3 H 1.522 0.03 2 591 78 53 ARG C C 177.921 0.4 . 592 78 53 ARG CA C 60.126 0.4 1 593 78 53 ARG CB C 29.441 0.4 1 594 78 53 ARG CD C 43.348 0.4 1 595 78 53 ARG CG C 27.43 0.4 1 596 78 53 ARG N N 119.347 0.4 1 597 78 53 ARG NE N 84.558 0.4 1 598 79 54 ASP H H 8.457 0.03 1 599 79 54 ASP HA H 4.419 0.03 1 600 79 54 ASP HB2 H 2.89 0.03 2 601 79 54 ASP HB3 H 2.508 0.03 2 602 79 54 ASP C C 179.489 0.4 . 603 79 54 ASP CA C 57.69 0.4 1 604 79 54 ASP CB C 40.537 0.4 1 605 79 54 ASP N N 119.31 0.4 1 606 80 55 TRP H H 8.487 0.03 1 607 80 55 TRP HA H 4.523 0.03 1 608 80 55 TRP HB2 H 3.751 0.03 2 609 80 55 TRP HB3 H 2.75 0.03 2 610 80 55 TRP HD1 H 6.046 0.03 1 611 80 55 TRP HE1 H 11.692 0.03 1 612 80 55 TRP HE3 H 8.064 0.03 1 613 80 55 TRP HH2 H 7.113 0.03 1 614 80 55 TRP HZ2 H 7.784 0.03 1 615 80 55 TRP HZ3 H 7.083 0.03 1 616 80 55 TRP C C 176.46 0.4 . 617 80 55 TRP CA C 61.572 0.4 1 618 80 55 TRP CB C 27.954 0.4 1 619 80 55 TRP CD1 C 126.285 0.4 1 620 80 55 TRP CE3 C 121.61 0.4 1 621 80 55 TRP CH2 C 123.598 0.4 1 622 80 55 TRP CZ2 C 114.487 0.4 1 623 80 55 TRP CZ3 C 120.289 0.4 1 624 80 55 TRP N N 124.4 0.4 1 625 80 55 TRP NE1 N 135.302 0.4 1 626 81 56 VAL H H 8.678 0.03 1 627 81 56 VAL HA H 2.655 0.03 1 628 81 56 VAL HB H 1.848 0.03 1 629 81 56 VAL HG1 H 0.356 0.03 . 630 81 56 VAL HG2 H 0.356 0.03 . 631 81 56 VAL C C 178.273 0.4 . 632 81 56 VAL CA C 66.853 0.4 1 633 81 56 VAL CB C 31.096 0.4 1 634 81 56 VAL CG1 C 22.143 0.4 2 635 81 56 VAL CG2 C 23.125 0.4 2 636 81 56 VAL N N 119.57 0.4 1 637 82 57 MET H H 8.836 0.03 1 638 82 57 MET HA H 4.054 0.03 1 639 82 57 MET HB2 H 2.563 0.03 2 640 82 57 MET HB3 H 2.26 0.03 2 641 82 57 MET HE H 1.821 0.03 . 642 82 57 MET HG2 H 2.075 0.03 . 643 82 57 MET HG3 H 2.075 0.03 . 644 82 57 MET C C 178.554 0.4 . 645 82 57 MET CA C 59.265 0.4 1 646 82 57 MET CB C 32.445 0.4 1 647 82 57 MET CE C 16.832 0.4 1 648 82 57 MET N N 117.626 0.4 1 649 83 58 TRP H H 8.155 0.03 1 650 83 58 TRP HA H 4.127 0.03 1 651 83 58 TRP HB2 H 4.03 0.03 2 652 83 58 TRP HB3 H 3.496 0.03 2 653 83 58 TRP HD1 H 7.344 0.03 1 654 83 58 TRP HE1 H 10.239 0.03 1 655 83 58 TRP HE3 H 7.65 0.03 1 656 83 58 TRP HH2 H 7.199 0.03 1 657 83 58 TRP HZ2 H 7.354 0.03 1 658 83 58 TRP C C 177.786 0.4 . 659 83 58 TRP CA C 62.373 0.4 1 660 83 58 TRP CB C 27.423 0.4 1 661 83 58 TRP CD1 C 127.747 0.4 1 662 83 58 TRP CE3 C 121.64 0.4 1 663 83 58 TRP CH2 C 123.826 0.4 1 664 83 58 TRP CZ2 C 114.539 0.4 1 665 83 58 TRP N N 121.567 0.4 1 666 83 58 TRP NE1 N 130.407 0.4 1 667 84 59 ALA H H 8.49 0.03 1 668 84 59 ALA HA H 3.013 0.03 1 669 84 59 ALA HB H 1.174 0.03 . 670 84 59 ALA C C 179.576 0.4 . 671 84 59 ALA CA C 54.942 0.4 1 672 84 59 ALA CB C 17.957 0.4 1 673 84 59 ALA N N 123.468 0.4 1 674 85 60 VAL H H 8.817 0.03 1 675 85 60 VAL HA H 3.364 0.03 1 676 85 60 VAL HB H 2.315 0.03 1 677 85 60 VAL HG1 H 1.014 0.03 . 678 85 60 VAL HG2 H 1.065 0.03 . 679 85 60 VAL C C 178.625 0.4 . 680 85 60 VAL CA C 66.519 0.4 1 681 85 60 VAL CB C 31.712 0.4 1 682 85 60 VAL CG1 C 23.539 0.4 2 683 85 60 VAL CG2 C 20.786 0.4 2 684 85 60 VAL N N 117.695 0.4 1 685 86 61 ASN H H 7.488 0.03 1 686 86 61 ASN HA H 4.424 0.03 1 687 86 61 ASN HB2 H 2.71 0.03 . 688 86 61 ASN HB3 H 2.71 0.03 . 689 86 61 ASN HD21 H 7.692 0.03 2 690 86 61 ASN HD22 H 6.807 0.03 2 691 86 61 ASN C C 177.261 0.4 . 692 86 61 ASN CA C 55.829 0.4 1 693 86 61 ASN CB C 39.031 0.4 1 694 86 61 ASN N N 115.941 0.4 1 695 86 61 ASN ND2 N 114.083 0.4 1 696 87 62 GLU H H 8.426 0.03 1 697 87 62 GLU HA H 3.539 0.03 1 698 87 62 GLU HB2 H 0.524 0.03 2 699 87 62 GLU HB3 H 0.163 0.03 2 700 87 62 GLU HG2 H 1.436 0.03 2 701 87 62 GLU HG3 H 0.952 0.03 2 702 87 62 GLU C C 178.255 0.4 . 703 87 62 GLU CA C 58.492 0.4 1 704 87 62 GLU CB C 28.557 0.4 1 705 87 62 GLU CG C 33.894 0.4 1 706 87 62 GLU N N 122.355 0.4 1 707 88 63 PHE H H 7.773 0.03 1 708 88 63 PHE HA H 4.648 0.03 1 709 88 63 PHE HB2 H 3.419 0.03 2 710 88 63 PHE HB3 H 2.527 0.03 2 711 88 63 PHE HD1 H 7.154 0.03 . 712 88 63 PHE HD2 H 7.154 0.03 . 713 88 63 PHE HE1 H 6.961 0.03 . 714 88 63 PHE HE2 H 6.961 0.03 . 715 88 63 PHE HZ H 7.294 0.03 1 716 88 63 PHE C C 174.466 0.4 . 717 88 63 PHE CA C 56.578 0.4 1 718 88 63 PHE CB C 38.464 0.4 1 719 88 63 PHE CD1 C 131.359 0.4 . 720 88 63 PHE CD2 C 131.359 0.4 . 721 88 63 PHE CE1 C 129.955 0.4 . 722 88 63 PHE CE2 C 129.955 0.4 . 723 88 63 PHE CZ C 129.927 0.4 1 724 88 63 PHE N N 112.425 0.4 1 725 89 64 SER H H 7.38 0.03 1 726 89 64 SER HA H 4.108 0.03 1 727 89 64 SER HB2 H 3.994 0.03 . 728 89 64 SER HB3 H 3.994 0.03 . 729 89 64 SER C C 177.07 0.4 . 730 89 64 SER CA C 58.4 0.4 1 731 89 64 SER CB C 61.054 0.4 1 732 89 64 SER N N 114.927 0.4 1 733 90 65 LEU H H 7.961 0.03 1 734 90 65 LEU HA H 4.392 0.03 1 735 90 65 LEU HB2 H 1.799 0.03 2 736 90 65 LEU HB3 H 1.324 0.03 2 737 90 65 LEU HD1 H 0.715 0.03 . 738 90 65 LEU HD2 H 0.89 0.03 . 739 90 65 LEU HG H 1.796 0.03 1 740 90 65 LEU C C 177.274 0.4 . 741 90 65 LEU CA C 54.155 0.4 1 742 90 65 LEU CB C 41.807 0.4 1 743 90 65 LEU CD1 C 24.759 0.4 2 744 90 65 LEU CD2 C 22.587 0.4 2 745 90 65 LEU CG C 26.372 0.4 1 746 90 65 LEU N N 116.675 0.4 1 747 91 66 LYS H H 8.543 0.03 1 748 91 66 LYS HA H 4.612 0.03 1 749 91 66 LYS HB2 H 1.774 0.03 . 750 91 66 LYS HB3 H 1.774 0.03 . 751 91 66 LYS HD2 H 1.635 0.03 . 752 91 66 LYS HD3 H 1.635 0.03 . 753 91 66 LYS HE2 H 2.984 0.03 . 754 91 66 LYS HE3 H 2.984 0.03 . 755 91 66 LYS HG2 H 1.447 0.03 . 756 91 66 LYS HG3 H 1.447 0.03 . 757 91 66 LYS C C 176.918 0.4 . 758 91 66 LYS CA C 55.188 0.4 1 759 91 66 LYS CB C 34.484 0.4 1 760 91 66 LYS CD C 28.809 0.4 1 761 91 66 LYS CE C 42.247 0.4 1 762 91 66 LYS CG C 24.65 0.4 1 763 91 66 LYS N N 122.928 0.4 1 764 92 67 GLY H H 8.468 0.03 1 765 92 67 GLY HA2 H 3.972 0.03 2 766 92 67 GLY HA3 H 3.672 0.03 2 767 92 67 GLY C C 174.678 0.4 . 768 92 67 GLY CA C 45.883 0.4 1 769 92 67 GLY N N 108.283 0.4 1 770 93 68 VAL H H 8.101 0.03 1 771 93 68 VAL HA H 3.613 0.03 1 772 93 68 VAL HB H 1.721 0.03 1 773 93 68 VAL HG1 H 0.569 0.03 . 774 93 68 VAL HG2 H 0.25 0.03 . 775 93 68 VAL C C 174.72 0.4 . 776 93 68 VAL CA C 63.666 0.4 1 777 93 68 VAL CB C 31.363 0.4 1 778 93 68 VAL CG1 C 23.544 0.4 2 779 93 68 VAL CG2 C 20.751 0.4 2 780 93 68 VAL N N 120.706 0.4 1 781 94 69 ASP H H 8.972 0.03 1 782 94 69 ASP HA H 4.787 0.03 1 783 94 69 ASP HB2 H 2.959 0.03 2 784 94 69 ASP HB3 H 2.564 0.03 2 785 94 69 ASP C C 177.458 0.4 . 786 94 69 ASP CA C 51.844 0.4 1 787 94 69 ASP CB C 41.018 0.4 1 788 94 69 ASP N N 128.337 0.4 1 789 95 70 PHE H H 8.502 0.03 1 790 95 70 PHE HA H 4.153 0.03 1 791 95 70 PHE HB2 H 3.212 0.03 2 792 95 70 PHE HB3 H 3.042 0.03 2 793 95 70 PHE HD1 H 7.292 0.03 . 794 95 70 PHE HD2 H 7.292 0.03 . 795 95 70 PHE HZ H 7.294 0.03 1 796 95 70 PHE C C 178.638 0.4 . 797 95 70 PHE CA C 61.659 0.4 1 798 95 70 PHE CB C 38.383 0.4 1 799 95 70 PHE CD1 C 131.124 0.4 . 800 95 70 PHE CD2 C 131.124 0.4 . 801 95 70 PHE CZ C 129.927 0.4 1 802 95 70 PHE N N 123.783 0.4 1 803 96 71 GLN H H 8.542 0.03 1 804 96 71 GLN HA H 4.243 0.03 1 805 96 71 GLN HB2 H 2.216 0.03 . 806 96 71 GLN HB3 H 2.216 0.03 . 807 96 71 GLN HE21 H 7.724 0.03 2 808 96 71 GLN HE22 H 6.852 0.03 2 809 96 71 GLN HG2 H 2.464 0.03 . 810 96 71 GLN HG3 H 2.464 0.03 . 811 96 71 GLN C C 178.776 0.4 . 812 96 71 GLN CA C 58.304 0.4 1 813 96 71 GLN CB C 28.271 0.4 1 814 96 71 GLN CG C 34.291 0.4 1 815 96 71 GLN N N 118.455 0.4 1 816 96 71 GLN NE2 N 112.403 0.4 1 817 97 72 LYS H H 7.526 0.03 1 818 97 72 LYS HA H 3.974 0.03 1 819 97 72 LYS HB2 H 1.809 0.03 . 820 97 72 LYS HB3 H 1.809 0.03 . 821 97 72 LYS HD2 H 1.612 0.03 . 822 97 72 LYS HD3 H 1.612 0.03 . 823 97 72 LYS HE2 H 2.966 0.03 . 824 97 72 LYS HE3 H 2.966 0.03 . 825 97 72 LYS HG2 H 1.318 0.03 . 826 97 72 LYS HG3 H 1.318 0.03 . 827 97 72 LYS C C 175.98 0.4 . 828 97 72 LYS CA C 57.562 0.4 1 829 97 72 LYS CB C 32.223 0.4 1 830 97 72 LYS CD C 28.962 0.4 1 831 97 72 LYS CE C 42.329 0.4 1 832 97 72 LYS CG C 25.839 0.4 1 833 97 72 LYS N N 116.893 0.4 1 834 98 73 PHE H H 7.265 0.03 1 835 98 73 PHE HA H 4.391 0.03 1 836 98 73 PHE HB2 H 3.671 0.03 2 837 98 73 PHE HB3 H 2.749 0.03 2 838 98 73 PHE HD1 H 7.138 0.03 . 839 98 73 PHE HD2 H 7.138 0.03 . 840 98 73 PHE HE1 H 6.976 0.03 . 841 98 73 PHE HE2 H 6.976 0.03 . 842 98 73 PHE HZ H 6.625 0.03 1 843 98 73 PHE C C 175.01 0.4 . 844 98 73 PHE CA C 58.007 0.4 1 845 98 73 PHE CB C 39.218 0.4 1 846 98 73 PHE CD1 C 131.386 0.4 . 847 98 73 PHE CD2 C 131.386 0.4 . 848 98 73 PHE CE1 C 131.055 0.4 . 849 98 73 PHE CE2 C 131.055 0.4 . 850 98 73 PHE CZ C 128.972 0.4 1 851 98 73 PHE N N 113.639 0.4 1 852 99 74 CYS H H 7.188 0.03 1 853 99 74 CYS HA H 4.72 0.03 1 854 99 74 CYS HB2 H 3.056 0.03 2 855 99 74 CYS HB3 H 2.854 0.03 2 856 99 74 CYS C C 172.776 0.4 . 857 99 74 CYS CA C 59.116 0.4 1 858 99 74 CYS CB C 25.51 0.4 1 859 99 74 CYS N N 119.75 0.4 1 860 100 75 MET H H 8.434 0.03 1 861 100 75 MET HA H 4.758 0.03 1 862 100 75 MET HB2 H 2.347 0.03 2 863 100 75 MET HB3 H 2.065 0.03 2 864 100 75 MET HE H 1.995 0.03 . 865 100 75 MET HG2 H 2.8 0.03 2 866 100 75 MET HG3 H 2.199 0.03 2 867 100 75 MET C C 172.302 0.4 . 868 100 75 MET CA C 54.441 0.4 1 869 100 75 MET CB C 35.239 0.4 1 870 100 75 MET CE C 17.695 0.4 1 871 100 75 MET CG C 30.514 0.4 1 872 100 75 MET N N 123.62 0.4 1 873 101 76 SER H H 8.507 0.03 1 874 101 76 SER HA H 4.517 0.03 1 875 101 76 SER HB2 H 4.194 0.03 . 876 101 76 SER HB3 H 4.194 0.03 . 877 101 76 SER C C 174.994 0.4 . 878 101 76 SER CA C 57.856 0.4 1 879 101 76 SER CB C 64.81 0.4 1 880 101 76 SER N N 112.777 0.4 1 881 102 77 GLY H H 8.838 0.03 1 882 102 77 GLY HA2 H 4.649 0.03 2 883 102 77 GLY HA3 H 3.701 0.03 2 884 102 77 GLY C C 176.096 0.4 . 885 102 77 GLY CA C 47.512 0.4 1 886 102 77 GLY N N 107.927 0.4 1 887 103 78 ALA H H 8.422 0.03 1 888 103 78 ALA HA H 3.867 0.03 1 889 103 78 ALA HB H 1.458 0.03 . 890 103 78 ALA C C 180.483 0.4 . 891 103 78 ALA CA C 55.355 0.4 1 892 103 78 ALA CB C 17.758 0.4 1 893 103 78 ALA N N 122.989 0.4 1 894 104 79 ALA H H 7.602 0.03 1 895 104 79 ALA HA H 4.057 0.03 1 896 104 79 ALA HB H 1.485 0.03 . 897 104 79 ALA C C 180.24 0.4 . 898 104 79 ALA CA C 54.704 0.4 1 899 104 79 ALA CB C 18.515 0.4 1 900 104 79 ALA N N 121.225 0.4 1 901 105 80 LEU H H 8.314 0.03 1 902 105 80 LEU HA H 4.307 0.03 1 903 105 80 LEU HB2 H 2.094 0.03 2 904 105 80 LEU HB3 H 1.753 0.03 2 905 105 80 LEU HD1 H 1.381 0.03 . 906 105 80 LEU HD2 H 1.259 0.03 . 907 105 80 LEU HG H 1.889 0.03 1 908 105 80 LEU C C 179.3 0.4 . 909 105 80 LEU CA C 58.272 0.4 1 910 105 80 LEU CB C 43.859 0.4 1 911 105 80 LEU CD1 C 25.08 0.4 2 912 105 80 LEU CD2 C 27.648 0.4 2 913 105 80 LEU CG C 26.781 0.4 1 914 105 80 LEU N N 120.827 0.4 1 915 106 81 CYS H H 8.237 0.03 1 916 106 81 CYS HA H 3.951 0.03 1 917 106 81 CYS HB2 H 2.664 0.03 . 918 106 81 CYS HB3 H 2.664 0.03 . 919 106 81 CYS C C 175.325 0.4 . 920 106 81 CYS CA C 62.927 0.4 1 921 106 81 CYS CB C 27.251 0.4 1 922 106 81 CYS N N 112.565 0.4 1 923 107 82 ALA H H 7.346 0.03 1 924 107 82 ALA HA H 4.361 0.03 1 925 107 82 ALA HB H 1.465 0.03 . 926 107 82 ALA C C 178.183 0.4 . 927 107 82 ALA CA C 52.226 0.4 1 928 107 82 ALA CB C 19.141 0.4 1 929 107 82 ALA N N 119.69 0.4 1 930 108 83 LEU H H 7.318 0.03 1 931 108 83 LEU HA H 4.152 0.03 1 932 108 83 LEU HB2 H 2.208 0.03 2 933 108 83 LEU HB3 H 1.474 0.03 2 934 108 83 LEU HD1 H 1.044 0.03 . 935 108 83 LEU HD2 H 0.854 0.03 . 936 108 83 LEU HG H 2.304 0.03 1 937 108 83 LEU C C 179.168 0.4 . 938 108 83 LEU CA C 56.891 0.4 1 939 108 83 LEU CB C 43.605 0.4 1 940 108 83 LEU CD1 C 27.255 0.4 2 941 108 83 LEU CD2 C 22.899 0.4 2 942 108 83 LEU CG C 26.305 0.4 1 943 108 83 LEU N N 119.25 0.4 1 944 109 84 GLY H H 7.929 0.03 1 945 109 84 GLY HA2 H 2.528 0.03 . 946 109 84 GLY HA3 H 2.528 0.03 . 947 109 84 GLY C C 172.939 0.4 . 948 109 84 GLY CA C 44.182 0.4 1 949 109 84 GLY N N 105.777 0.4 1 950 110 85 LYS H H 8.115 0.03 1 951 110 85 LYS HA H 2.17 0.03 1 952 110 85 LYS HB2 H 1.229 0.03 2 953 110 85 LYS HB3 H 0.976 0.03 2 954 110 85 LYS HD2 H 1.293 0.03 2 955 110 85 LYS HD3 H 1.212 0.03 2 956 110 85 LYS HE2 H 2.632 0.03 2 957 110 85 LYS HE3 H 2.486 0.03 2 958 110 85 LYS HG2 H 0.614 0.03 2 959 110 85 LYS HG3 H -0.361 0.03 2 960 110 85 LYS C C 177.237 0.4 . 961 110 85 LYS CA C 60.447 0.4 1 962 110 85 LYS CB C 33.098 0.4 1 963 110 85 LYS CD C 29.624 0.4 1 964 110 85 LYS CE C 42.376 0.4 1 965 110 85 LYS CG C 24.664 0.4 1 966 110 85 LYS N N 121.337 0.4 1 967 111 86 GLU H H 8.403 0.03 1 968 111 86 GLU HA H 3.721 0.03 1 969 111 86 GLU HB2 H 1.952 0.03 . 970 111 86 GLU HB3 H 1.952 0.03 . 971 111 86 GLU HG2 H 2.308 0.03 2 972 111 86 GLU HG3 H 2.201 0.03 2 973 111 86 GLU C C 179.419 0.4 . 974 111 86 GLU CA C 60.576 0.4 1 975 111 86 GLU CB C 28.603 0.4 1 976 111 86 GLU CG C 36.928 0.4 1 977 111 86 GLU N N 114.971 0.4 1 978 112 87 CYS H H 7.888 0.03 1 979 112 87 CYS HA H 4.126 0.03 1 980 112 87 CYS HB2 H 2.902 0.03 2 981 112 87 CYS HB3 H 2.832 0.03 2 982 112 87 CYS C C 177.188 0.4 . 983 112 87 CYS CA C 62.206 0.4 1 984 112 87 CYS CB C 27.203 0.4 1 985 112 87 CYS N N 116.735 0.4 1 986 113 88 PHE H H 8.44 0.03 1 987 113 88 PHE HA H 3.947 0.03 1 988 113 88 PHE HB2 H 3.055 0.03 . 989 113 88 PHE HB3 H 3.055 0.03 . 990 113 88 PHE HD1 H 7.268 0.03 . 991 113 88 PHE HD2 H 7.268 0.03 . 992 113 88 PHE HE1 H 7.775 0.03 . 993 113 88 PHE HE2 H 7.775 0.03 . 994 113 88 PHE HZ H 7.578 0.03 1 995 113 88 PHE C C 177.452 0.4 . 996 113 88 PHE CA C 61.831 0.4 1 997 113 88 PHE CB C 39.882 0.4 1 998 113 88 PHE CD1 C 132.671 0.4 . 999 113 88 PHE CD2 C 132.671 0.4 . 1000 113 88 PHE CE1 C 131.236 0.4 . 1001 113 88 PHE CE2 C 131.236 0.4 . 1002 113 88 PHE CZ C 128.85 0.4 1 1003 113 88 PHE N N 122.463 0.4 1 1004 114 89 LEU H H 8.488 0.03 1 1005 114 89 LEU HA H 3.939 0.03 1 1006 114 89 LEU HB2 H 1.817 0.03 2 1007 114 89 LEU HB3 H 1.471 0.03 2 1008 114 89 LEU HD1 H 0.748 0.03 . 1009 114 89 LEU HD2 H 0.822 0.03 . 1010 114 89 LEU C C 179.315 0.4 . 1011 114 89 LEU CA C 57.336 0.4 1 1012 114 89 LEU CB C 41.093 0.4 1 1013 114 89 LEU CD1 C 25.942 0.4 2 1014 114 89 LEU CD2 C 22.037 0.4 2 1015 114 89 LEU N N 116.551 0.4 1 1016 115 90 GLU H H 7.035 0.03 1 1017 115 90 GLU HA H 4.124 0.03 1 1018 115 90 GLU HB2 H 2.047 0.03 . 1019 115 90 GLU HB3 H 2.047 0.03 . 1020 115 90 GLU HG2 H 2.517 0.03 2 1021 115 90 GLU HG3 H 2.251 0.03 2 1022 115 90 GLU C C 177.769 0.4 . 1023 115 90 GLU CA C 57.68 0.4 1 1024 115 90 GLU CB C 29.697 0.4 1 1025 115 90 GLU CG C 36.369 0.4 1 1026 115 90 GLU N N 114.984 0.4 1 1027 116 91 LEU H H 7.68 0.03 1 1028 116 91 LEU HA H 3.776 0.03 1 1029 116 91 LEU HB2 H 1.303 0.03 2 1030 116 91 LEU HB3 H 0.607 0.03 2 1031 116 91 LEU HD1 H 0.271 0.03 . 1032 116 91 LEU HD2 H 0.487 0.03 . 1033 116 91 LEU HG H 1.585 0.03 1 1034 116 91 LEU C C 174.952 0.4 . 1035 116 91 LEU CA C 55.77 0.4 1 1036 116 91 LEU CB C 41.641 0.4 1 1037 116 91 LEU CD1 C 25.225 0.4 2 1038 116 91 LEU CD2 C 21.819 0.4 2 1039 116 91 LEU CG C 25.291 0.4 1 1040 116 91 LEU N N 117.938 0.4 1 1041 117 92 ALA H H 7.158 0.03 1 1042 117 92 ALA HA H 4.897 0.03 1 1043 117 92 ALA HB H 1.174 0.03 . 1044 117 92 ALA CA C 48.957 0.4 1 1045 117 92 ALA CB C 20.166 0.4 1 1046 117 92 ALA N N 117.411 0.4 1 1047 118 93 PRO HA H 4.547 0.03 1 1048 118 93 PRO HB2 H 2.485 0.03 2 1049 118 93 PRO HB3 H 1.79 0.03 2 1050 118 93 PRO HD2 H 3.85 0.03 2 1051 118 93 PRO HD3 H 3.138 0.03 2 1052 118 93 PRO HG2 H 2.038 0.03 . 1053 118 93 PRO HG3 H 2.038 0.03 . 1054 118 93 PRO C C 176.803 0.4 . 1055 118 93 PRO CA C 62.441 0.4 1 1056 118 93 PRO CB C 32.541 0.4 1 1057 118 93 PRO CD C 50.385 0.4 1 1058 118 93 PRO CG C 27.627 0.4 1 1059 119 94 ASP H H 8.593 0.03 1 1060 119 94 ASP HA H 4.271 0.03 1 1061 119 94 ASP HB2 H 2.495 0.03 2 1062 119 94 ASP HB3 H 2.327 0.03 2 1063 119 94 ASP C C 177.435 0.4 . 1064 119 94 ASP CA C 56.139 0.4 1 1065 119 94 ASP CB C 40.399 0.4 1 1066 119 94 ASP N N 122.772 0.4 1 1067 120 95 PHE H H 8.605 0.03 1 1068 120 95 PHE HA H 4.368 0.03 1 1069 120 95 PHE HB2 H 3.426 0.03 . 1070 120 95 PHE HB3 H 3.426 0.03 . 1071 120 95 PHE HD1 H 7.284 0.03 . 1072 120 95 PHE HD2 H 7.284 0.03 . 1073 120 95 PHE HE1 H 7.377 0.03 . 1074 120 95 PHE HE2 H 7.377 0.03 . 1075 120 95 PHE HZ H 7.268 0.03 1 1076 120 95 PHE C C 177.343 0.4 . 1077 120 95 PHE CA C 61.944 0.4 1 1078 120 95 PHE CB C 37.651 0.4 1 1079 120 95 PHE CD1 C 131.979 0.4 . 1080 120 95 PHE CD2 C 131.979 0.4 . 1081 120 95 PHE CE1 C 131.568 0.4 . 1082 120 95 PHE CE2 C 131.568 0.4 . 1083 120 95 PHE CZ C 129.947 0.4 1 1084 120 95 PHE N N 119.129 0.4 1 1085 121 96 VAL H H 8.181 0.03 1 1086 121 96 VAL HA H 3.663 0.03 1 1087 121 96 VAL HB H 2.005 0.03 1 1088 121 96 VAL HG1 H 1.102 0.03 . 1089 121 96 VAL HG2 H 0.825 0.03 . 1090 121 96 VAL C C 177.673 0.4 . 1091 121 96 VAL CA C 65.371 0.4 1 1092 121 96 VAL CB C 32.151 0.4 1 1093 121 96 VAL CG1 C 22.64 0.4 2 1094 121 96 VAL CG2 C 22.052 0.4 2 1095 121 96 VAL N N 120.487 0.4 1 1096 122 97 GLY H H 7.935 0.03 1 1097 122 97 GLY HA2 H 3.735 0.03 2 1098 122 97 GLY HA3 H 4.314 0.03 2 1099 122 97 GLY C C 174.787 0.4 . 1100 122 97 GLY CA C 47.973 0.4 1 1101 122 97 GLY N N 104.054 0.4 1 1102 123 98 ASP H H 8.036 0.03 1 1103 123 98 ASP HA H 4.372 0.03 1 1104 123 98 ASP HB2 H 2.693 0.03 . 1105 123 98 ASP HB3 H 2.693 0.03 . 1106 123 98 ASP C C 178.771 0.4 . 1107 123 98 ASP CA C 57.986 0.4 1 1108 123 98 ASP CB C 40.833 0.4 1 1109 123 98 ASP N N 119.204 0.4 1 1110 124 99 ILE H H 7.421 0.03 1 1111 124 99 ILE HA H 3.944 0.03 1 1112 124 99 ILE HB H 1.816 0.03 1 1113 124 99 ILE HD1 H 0.561 0.03 . 1114 124 99 ILE HG12 H 0.901 0.03 . 1115 124 99 ILE HG13 H 0.901 0.03 . 1116 124 99 ILE HG2 H 0.599 0.03 . 1117 124 99 ILE C C 176.992 0.4 . 1118 124 99 ILE CA C 64.419 0.4 1 1119 124 99 ILE CB C 38.212 0.4 1 1120 124 99 ILE CD1 C 13.246 0.4 1 1121 124 99 ILE CG1 C 28.811 0.4 1 1122 124 99 ILE CG2 C 17.041 0.4 1 1123 124 99 ILE N N 119.558 0.4 1 1124 125 100 LEU H H 7.568 0.03 1 1125 125 100 LEU HA H 4.339 0.03 1 1126 125 100 LEU HB2 H 2.127 0.03 2 1127 125 100 LEU HB3 H 2.344 0.03 2 1128 125 100 LEU HD1 H 0.547 0.03 . 1129 125 100 LEU HD2 H 0.295 0.03 . 1130 125 100 LEU HG H 1.781 0.03 1 1131 125 100 LEU C C 178.522 0.4 . 1132 125 100 LEU CA C 57.913 0.4 1 1133 125 100 LEU CB C 41.323 0.4 1 1134 125 100 LEU CD1 C 26.068 0.4 2 1135 125 100 LEU CD2 C 21.4 0.4 2 1136 125 100 LEU N N 117.633 0.4 1 1137 126 101 TRP H H 8.898 0.03 1 1138 126 101 TRP HA H 3.741 0.03 1 1139 126 101 TRP HB2 H 3.242 0.03 . 1140 126 101 TRP HB3 H 3.242 0.03 . 1141 126 101 TRP HD1 H 7.077 0.03 1 1142 126 101 TRP HE1 H 9.759 0.03 1 1143 126 101 TRP HE3 H 6.238 0.03 1 1144 126 101 TRP HH2 H 7.101 0.03 1 1145 126 101 TRP HZ2 H 7.337 0.03 1 1146 126 101 TRP HZ3 H 6.795 0.03 1 1147 126 101 TRP C C 174.574 0.4 . 1148 126 101 TRP CA C 60.132 0.4 1 1149 126 101 TRP CB C 29.383 0.4 1 1150 126 101 TRP CD1 C 126.485 0.4 1 1151 126 101 TRP CE3 C 120.576 0.4 1 1152 126 101 TRP CH2 C 123.919 0.4 1 1153 126 101 TRP CZ2 C 114.163 0.4 1 1154 126 101 TRP CZ3 C 121.917 0.4 1 1155 126 101 TRP N N 118.855 0.4 1 1156 126 101 TRP NE1 N 128.019 0.4 1 1157 127 102 GLU H H 7.957 0.03 1 1158 127 102 GLU HA H 3.877 0.03 1 1159 127 102 GLU HB2 H 2.338 0.03 2 1160 127 102 GLU HB3 H 2.28 0.03 2 1161 127 102 GLU HG2 H 2.548 0.03 . 1162 127 102 GLU HG3 H 2.548 0.03 . 1163 127 102 GLU C C 179.13 0.4 . 1164 127 102 GLU CA C 58.933 0.4 1 1165 127 102 GLU CB C 28.998 0.4 1 1166 127 102 GLU CG C 35.618 0.4 1 1167 127 102 GLU N N 116.652 0.4 1 1168 128 103 HIS H H 7.84 0.03 1 1169 128 103 HIS HA H 3.744 0.03 1 1170 128 103 HIS HB2 H 3.419 0.03 2 1171 128 103 HIS HB3 H 2.751 0.03 2 1172 128 103 HIS HD2 H 6.359 0.03 1 1173 128 103 HIS HE1 H 6.776 0.03 1 1174 128 103 HIS C C 177.19 0.4 . 1175 128 103 HIS CA C 57.362 0.4 1 1176 128 103 HIS CB C 32.729 0.4 1 1177 128 103 HIS CD2 C 116.373 0.4 1 1178 128 103 HIS CE1 C 136.889 0.4 1 1179 128 103 HIS N N 118.331 0.4 1 1180 129 104 LEU H H 8.089 0.03 1 1181 129 104 LEU HA H 3.234 0.03 1 1182 129 104 LEU HB2 H 1.238 0.03 2 1183 129 104 LEU HB3 H 0.883 0.03 2 1184 129 104 LEU HD1 H 0.011 0.03 . 1185 129 104 LEU HD2 H 0.077 0.03 . 1186 129 104 LEU HG H 1.158 0.03 1 1187 129 104 LEU C C 179.798 0.4 . 1188 129 104 LEU CA C 57.721 0.4 1 1189 129 104 LEU CB C 40.861 0.4 1 1190 129 104 LEU CD1 C 23.87 0.4 2 1191 129 104 LEU CD2 C 23.34 0.4 2 1192 129 104 LEU CG C 26.242 0.4 1 1193 129 104 LEU N N 118.911 0.4 1 1194 130 105 GLU H H 7.936 0.03 1 1195 130 105 GLU HA H 3.451 0.03 1 1196 130 105 GLU HB2 H 1.715 0.03 . 1197 130 105 GLU HB3 H 1.715 0.03 . 1198 130 105 GLU HG2 H 1.412 0.03 . 1199 130 105 GLU HG3 H 1.412 0.03 . 1200 130 105 GLU C C 176.447 0.4 . 1201 130 105 GLU CA C 59.612 0.4 1 1202 130 105 GLU CB C 29.49 0.4 1 1203 130 105 GLU CG C 33.945 0.4 1 1204 130 105 GLU N N 118.399 0.4 1 1205 131 106 ILE H H 7.601 0.03 1 1206 131 106 ILE HA H 3.616 0.03 1 1207 131 106 ILE HB H 2.062 0.03 1 1208 131 106 ILE HD1 H 0.959 0.03 . 1209 131 106 ILE HG12 H 1.785 0.03 2 1210 131 106 ILE HG13 H 1.205 0.03 2 1211 131 106 ILE HG2 H 0.976 0.03 . 1212 131 106 ILE C C 179.292 0.4 . 1213 131 106 ILE CA C 64.872 0.4 1 1214 131 106 ILE CB C 38.295 0.4 1 1215 131 106 ILE CD1 C 14.592 0.4 1 1216 131 106 ILE CG1 C 29.708 0.4 1 1217 131 106 ILE CG2 C 17.257 0.4 1 1218 131 106 ILE N N 120.719 0.4 1 1219 132 107 LEU H H 8.344 0.03 1 1220 132 107 LEU HA H 3.914 0.03 1 1221 132 107 LEU HB2 H 1.397 0.03 2 1222 132 107 LEU HB3 H 0.947 0.03 2 1223 132 107 LEU HD1 H -0.125 0.03 . 1224 132 107 LEU HD2 H 0.869 0.03 . 1225 132 107 LEU HG H 1.282 0.03 1 1226 132 107 LEU C C 178.888 0.4 . 1227 132 107 LEU CA C 57.138 0.4 1 1228 132 107 LEU CB C 42.328 0.4 1 1229 132 107 LEU CD1 C 25.207 0.4 2 1230 132 107 LEU CD2 C 22.572 0.4 2 1231 132 107 LEU CG C 26.29 0.4 1 1232 132 107 LEU N N 120.281 0.4 1 1233 133 108 GLN H H 7.316 0.03 1 1234 133 108 GLN HA H 3.897 0.03 1 1235 133 108 GLN HB2 H 1.76 0.03 . 1236 133 108 GLN HB3 H 1.76 0.03 . 1237 133 108 GLN HE21 H 6.663 0.03 2 1238 133 108 GLN HE22 H 5.981 0.03 2 1239 133 108 GLN HG2 H 2.141 0.03 2 1240 133 108 GLN HG3 H 1.756 0.03 2 1241 133 108 GLN C C 176.632 0.4 . 1242 133 108 GLN CA C 57.434 0.4 1 1243 133 108 GLN CB C 31.414 0.4 1 1244 133 108 GLN CG C 36.168 0.4 1 1245 133 108 GLN N N 114.148 0.4 1 1246 133 108 GLN NE2 N 109.697 0.4 1 1247 134 109 LYS H H 7.383 0.03 1 1248 134 109 LYS HA H 4.173 0.03 1 1249 134 109 LYS HB2 H 1.827 0.03 . 1250 134 109 LYS HB3 H 1.827 0.03 . 1251 134 109 LYS HD2 H 1.611 0.03 . 1252 134 109 LYS HD3 H 1.611 0.03 . 1253 134 109 LYS HE2 H 2.921 0.03 . 1254 134 109 LYS HE3 H 2.921 0.03 . 1255 134 109 LYS HG2 H 1.438 0.03 . 1256 134 109 LYS HG3 H 1.438 0.03 . 1257 134 109 LYS C C 176.727 0.4 . 1258 134 109 LYS CA C 56.933 0.4 1 1259 134 109 LYS CB C 33.107 0.4 1 1260 134 109 LYS CD C 29.182 0.4 1 1261 134 109 LYS CE C 42.145 0.4 1 1262 134 109 LYS CG C 25.024 0.4 1 1263 134 109 LYS N N 119.405 0.4 1 1264 135 110 GLU H H 7.965 0.03 1 1265 135 110 GLU HA H 4.181 0.03 1 1266 135 110 GLU HB2 H 1.971 0.03 . 1267 135 110 GLU HB3 H 1.971 0.03 . 1268 135 110 GLU HG2 H 2.264 0.03 . 1269 135 110 GLU HG3 H 2.264 0.03 . 1270 135 110 GLU C C 176.151 0.4 . 1271 135 110 GLU CA C 56.898 0.4 1 1272 135 110 GLU CB C 30.351 0.4 1 1273 135 110 GLU CG C 36.262 0.4 1 1274 135 110 GLU N N 121.275 0.4 1 1275 136 111 ASP H H 8.303 0.03 1 1276 136 111 ASP HA H 4.593 0.03 1 1277 136 111 ASP HB2 H 2.6 0.03 . 1278 136 111 ASP HB3 H 2.6 0.03 . 1279 136 111 ASP C C 175.769 0.4 . 1280 136 111 ASP CA C 54.23 0.4 1 1281 136 111 ASP CB C 41.197 0.4 1 1282 136 111 ASP N N 121.511 0.4 1 1283 137 112 VAL H H 7.935 0.03 1 1284 137 112 VAL HA H 4.074 0.03 1 1285 137 112 VAL HB H 2.076 0.03 . 1286 137 112 VAL HG1 H 0.901 0.03 . 1287 137 112 VAL HG2 H 0.896 0.03 . 1288 137 112 VAL C C 175.238 0.4 . 1289 137 112 VAL CA C 62.349 0.4 1 1290 137 112 VAL CB C 32.629 0.4 1 1291 137 112 VAL CG1 C 21.305 0.4 2 1292 137 112 VAL CG2 C 20.449 0.4 2 1293 137 112 VAL N N 120.435 0.4 1 1294 138 113 LYS H H 7.876 0.03 1 1295 138 113 LYS CA C 57.555 0.4 1 1296 138 113 LYS CB C 33.724 0.4 1 1297 138 113 LYS N N 130.276 0.4 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name 'murine Ets-1' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 4 MET N 0.8214 0.0171 2 5 GLU N 0.8177 0.0242 3 6 CYS N 0.7471 0.0226 4 7 ALA N 0.8206 0.0115 5 8 ASP N 0.7715 0.00687 6 9 VAL N 0.6865 0.00403 7 11 LEU N 0.7656 0.00359 8 12 LEU N 0.7299 0.00262 9 13 TPO N 0.6482 0.0089 10 15 SER N 0.5862 0.00366 11 16 SEP N 0.539 0.0164 12 17 LYS N 0.5468 0.0075 13 18 GLU N 0.6015 0.00457 14 19 MET N 0.5709 0.00349 15 20 MET N 0.5535 0.00445 16 21 SER N 0.5626 0.00917 17 22 GLN N 0.5807 0.0153 18 23 ALA N 0.5786 0.00585 19 24 LEU N 0.5821 0.00602 20 25 LYS N 0.5683 0.00496 21 26 ALA N 0.5565 0.00921 22 27 THR N 0.5768 0.00633 23 28 PHE N 0.5667 0.0103 24 29 SER N 0.5387 0.00865 25 30 GLY N 0.5265 0.00914 26 31 PHE N 0.5508 0.00506 27 32 THR N 0.5758 0.0044 28 33 LYS N 0.5876 0.00159 29 34 GLU N 0.5683 0.00435 30 35 GLN N 0.5685 0.00201 31 36 GLN N 0.587 0.00292 32 38 LEU N 0.5675 0.00382 33 39 GLY N 0.5648 0.00198 34 40 ILE N 0.5863 0.00282 35 42 LYS N 0.5513 0.00456 36 45 ARG N 0.5609 0.00273 37 46 GLN N 0.5574 0.00243 38 47 TRP N 0.5466 0.00119 39 48 THR N 0.554 0.00223 40 49 GLU N 0.5772 0.00452 41 50 THR N 0.5214 0.00349 42 51 HIS N 0.5373 0.00282 43 52 VAL N 0.5438 0.00186 44 53 ARG N 0.5524 0.00277 45 54 ASP N 0.5399 0.00258 46 55 TRP N 0.5476 0.00285 47 56 VAL N 0.5247 0.00105 48 57 MET N 0.5482 0.00164 49 58 TRP N 0.551 0.00302 50 59 ALA N 0.5308 0.00162 51 60 VAL N 0.5397 0.00189 52 61 ASN N 0.5872 0.00453 53 62 GLU N 0.5325 0.00432 54 63 PHE N 0.5854 0.00601 55 64 SER N 0.5618 0.00308 56 65 LEU N 0.5597 0.00308 57 66 LYS N 0.6253 0.00163 58 67 GLY N 0.5477 0.00996 59 68 VAL N 0.5634 0.00172 60 69 ASP N 0.567 0.00285 61 70 PHE N 0.55 0.00202 62 71 GLN N 0.5459 0.00338 63 72 LYS N 0.5389 0.00246 64 73 PHE N 0.5572 0.00388 65 74 CYS N 0.618 0.00146 66 75 MET N 0.5905 0.00361 67 76 SER N 0.5592 0.00279 68 77 GLY N 0.5287 0.00206 69 78 ALA N 0.5256 0.00276 70 79 ALA N 0.529 0.00226 71 80 LEU N 0.5485 0.00481 72 81 CYS N 0.5476 0.00136 73 82 ALA N 0.55 0.00281 74 83 LEU N 0.5404 0.00086 75 84 GLY N 0.5918 0.0067 76 85 LYS N 0.5544 0.00131 77 86 GLU N 0.5399 0.0046 78 87 CYS N 0.5618 0.00089 79 88 PHE N 0.557 0.00232 80 89 LEU N 0.5223 0.00411 81 90 GLU N 0.568 0.00359 82 91 LEU N 0.5544 0.00254 83 92 ALA N 0.568 0.00311 84 94 ASP N 0.5529 0.00382 85 95 PHE N 0.571 0.00299 86 96 VAL N 0.6134 0.0053 87 97 GLY N 0.5607 0.00229 88 98 ASP N 0.5805 0.00522 89 99 ILE N 0.5773 0.00171 90 100 LEU N 0.5487 0.00514 91 101 TRP N 0.5289 0.00118 92 102 GLU N 0.5592 0.00296 93 103 HIS N 0.548 0.00125 94 104 LEU N 0.5356 0.00277 95 105 GLU N 0.5477 0.00296 96 106 ILE N 0.5466 0.00176 97 107 LEU N 0.5579 0.00291 98 108 GLN N 0.5622 0.00263 99 109 LYS N 0.5621 0.00147 100 110 GLU N 0.5886 0.00265 101 111 ASP N 0.5945 0.00288 102 112 VAL N 0.7084 0.00241 103 113 LYS N 0.8281 0.00259 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type Nz _T2_value_units s _Mol_system_component_name 'murine Ets-1' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 4 MET N 0.2285 0.00606 . . 2 5 GLU N 0.2584 0.00379 . . 3 6 CYS N 0.2423 0.00191 . . 4 7 ALA N 0.2806 0.00478 . . 5 8 ASP N 0.2824 0.00811 . . 6 9 VAL N 0.235 0.00322 . . 7 11 LEU N 0.4255 0.0094 . . 8 12 LEU N 0.3331 0.00566 . . 9 13 TPO N 0.2569 0.000781 . . 10 15 SER N 0.1962 0.00177 . . 11 16 SEP N 0.1456 0.00116 . . 12 17 LYS N 0.1554 0.000754 . . 13 18 GLU N 0.173 0.000889 . . 14 19 MET N 0.1601 0.00173 . . 15 20 MET N 0.1481 0.00116 . . 16 21 SER N 0.1302 0.0019 . . 17 22 GLN N 0.122 0.000863 . . 18 23 ALA N 0.1338 0.00123 . . 19 24 LEU N 0.1299 0.000902 . . 20 25 LYS N 0.1189 0.000998 . . 21 26 ALA N 0.1138 0.000998 . . 22 27 THR N 0.1063 0.000721 . . 23 28 PHE N 0.09848 0.000737 . . 24 29 SER N 0.08716 0.000663 . . 25 30 GLY N 0.1009 0.0019 . . 26 31 PHE N 0.1012 0.00115 . . 27 32 THR N 0.1045 0.000352 . . 28 33 LYS N 0.1115 0.000601 . . 29 34 GLU N 0.1073 0.00043 . . 30 35 GLN N 0.1116 0.000544 . . 31 36 GLN N 0.1154 0.000564 . . 32 38 LEU N 0.114 0.000851 . . 33 39 GLY N 0.1124 0.000664 . . 34 40 ILE N 0.1087 0.000974 . . 35 42 LYS N 0.1164 0.00142 . . 36 45 ARG N 0.1104 0.000943 . . 37 46 GLN N 0.1122 0.000975 . . 38 47 TRP N 0.1076 0.000452 . . 39 48 THR N 0.1112 0.000949 . . 40 49 GLU N 0.1096 0.00226 . . 41 50 THR N 0.101 0.00028 . . 42 51 HIS N 0.1088 0.000441 . . 43 52 VAL N 0.1057 0.000917 . . 44 53 ARG N 0.1107 0.000602 . . 45 54 ASP N 0.104 0.000375 . . 46 55 TRP N 0.1054 0.00065 . . 47 56 VAL N 0.1029 0.00062 . . 48 57 MET N 0.1107 0.00124 . . 49 58 TRP N 0.1144 0.000767 . . 50 59 ALA N 0.1049 0.000878 . . 51 60 VAL N 0.1099 0.000908 . . 52 61 ASN N 0.1029 0.000733 . . 53 62 GLU N 0.1162 0.000278 . . 54 63 PHE N 0.1193 0.000464 . . 55 64 SER N 0.1185 0.000579 . . 56 65 LEU N 0.107 0.000928 . . 57 66 LYS N 0.1235 0.00105 . . 58 67 GLY N 0.1026 0.000239 . . 59 68 VAL N 0.1147 0.00032 . . 60 69 ASP N 0.1245 0.00209 . . 61 70 PHE N 0.1182 0.00077 . . 62 71 GLN N 0.1163 0.000415 . . 63 72 LYS N 0.1165 0.000391 . . 64 73 PHE N 0.1253 0.000488 . . 65 74 CYS N 0.1373 0.00202 . . 66 75 MET N 0.1352 0.00138 . . 67 76 SER N 0.1201 0.000777 . . 68 77 GLY N 0.09408 0.000874 . . 69 78 ALA N 0.1112 0.000405 . . 70 79 ALA N 0.1132 0.000605 . . 71 80 LEU N 0.1165 0.000743 . . 72 81 CYS N 0.1126 0.00134 . . 73 82 ALA N 0.1163 0.000456 . . 74 83 LEU N 0.1155 0.000583 . . 75 84 GLY N 0.09849 0.000908 . . 76 85 LYS N 0.1159 0.000329 . . 77 86 GLU N 0.1277 0.000625 . . 78 87 CYS N 0.1231 0.000717 . . 79 88 PHE N 0.1092 0.000355 . . 80 89 LEU N 0.1218 0.000463 . . 81 90 GLU N 0.1323 0.000306 . . 82 91 LEU N 0.1132 0.000268 . . 83 92 ALA N 0.1232 0.000734 . . 84 94 ASP N 0.1174 0.000753 . . 85 95 PHE N 0.1314 0.000822 . . 86 96 VAL N 0.1253 0.00131 . . 87 97 GLY N 0.1067 0.000784 . . 88 98 ASP N 0.1133 0.00114 . . 89 99 ILE N 0.1142 0.00114 . . 90 100 LEU N 0.1042 0.000993 . . 91 101 TRP N 0.1047 0.000692 . . 92 102 GLU N 0.1073 0.00053 . . 93 103 HIS N 0.101 0.000737 . . 94 104 LEU N 0.1042 0.000643 . . 95 105 GLU N 0.1135 0.000812 . . 96 106 ILE N 0.1076 0.000319 . . 97 107 LEU N 0.1375 0.00507 . . 98 108 GLN N 0.1221 0.0012 . . 99 109 LYS N 0.1162 0.000263 . . 100 110 GLU N 0.1662 0.000631 . . 101 111 ASP N 0.1963 0.00134 . . 102 112 VAL N 0.3509 0.00445 . . 103 113 LYS N 0.3168 0.00508 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label T1_T2_HNNOE stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name 'murine Ets-1' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 4 MET -0.924669638 0.046233482 5 GLU -1.028031295 0.051401565 6 CYS -0.776057691 0.038802885 7 ALA -0.548079537 0.027403977 8 ASP -0.596551339 0.029827567 9 VAL -0.112943824 0.005647191 11 LEU -0.558247737 0.027912387 12 LEU -0.143961993 0.0071981 13 TPO 0.04758923 0.002379461 15 SER 0.132913385 0.006645669 16 SEP 0.329684855 0.016484243 17 LYS 0.375736638 0.018786832 18 GLU 0.288343908 0.014417195 19 MET 0.204335297 0.010216765 20 MET 0.332034565 0.016601728 21 SER 0.409217057 0.020460853 22 GLN 0.377260697 0.018863035 23 ALA 0.499429184 0.024971459 24 LEU 0.458851419 0.022942571 25 LYS 0.495727474 0.024786374 26 ALA 0.610048559 0.030502428 27 THR 0.614468959 0.030723448 28 PHE 0.648760549 0.032438027 29 SER 0.791801469 0.039590073 30 GLY 0.766711872 0.038335594 31 PHE 0.763216561 0.038160828 32 THR 0.733652606 0.03668263 33 LYS 0.696748162 0.034837408 34 GLU 0.718937688 0.035946884 35 GLN 0.741629694 0.037081485 36 GLN 0.729274154 0.036463708 38 LEU 0.738534424 0.036926721 39 GLY 0.766003632 0.038300182 40 ILE 0.806197442 0.040309872 42 LYS 0.720305407 0.03601527 45 ARG 0.782826027 0.039141301 46 GLN 0.805994045 0.040299702 47 TRP 0.759563737 0.037978187 48 THR 0.781116049 0.039055802 49 GLU 0.805165333 0.040258267 50 THR 0.824958303 0.041247915 51 HIS 0.799404331 0.039970217 52 VAL 0.756428826 0.037821441 53 ARG 0.780625473 0.039031274 54 ASP 0.784358218 0.039217911 55 TRP 0.763997667 0.038199883 56 VAL 0.780035049 0.039001752 57 MET 0.761117174 0.038055859 58 TRP 0.811334266 0.040566713 59 ALA 0.774193906 0.038709695 60 VAL 0.800163554 0.040008178 61 ASN 0.783579289 0.039178964 62 GLU 0.729781477 0.036489074 63 PHE 0.760693889 0.038034694 64 SER 0.772857723 0.038642886 65 LEU 0.752090631 0.037604532 66 LYS 0.659675523 0.032983776 67 GLY 0.764581377 0.038229069 68 VAL 0.830672849 0.041533642 69 ASP 0.734463125 0.036723156 70 PHE 0.77258391 0.038629196 71 GLN 0.744333764 0.037216688 72 LYS 0.763472824 0.038173641 73 PHE 0.763018475 0.038150924 74 CYS 0.710950403 0.03554752 75 MET 0.74924891 0.037462445 76 SER 0.759414797 0.03797074 77 GLY 0.796958943 0.039847947 78 ALA 0.825556371 0.041277819 79 ALA 0.786845818 0.039342291 80 LEU 0.783228558 0.039161428 81 CYS 0.772041409 0.03860207 82 ALA 0.777444053 0.038872203 83 LEU 0.769259943 0.038462997 84 GLY 0.754338727 0.037716936 85 LYS 0.763125267 0.038156263 86 GLU 0.782148268 0.039107413 87 CYS 0.758850018 0.037942501 88 PHE 0.754857575 0.037742879 89 LEU 0.740235724 0.037011786 90 GLU 0.745800755 0.037290038 91 LEU 0.780483325 0.039024166 92 ALA 0.759280356 0.037964018 94 ASP 0.699349673 0.034967484 95 PHE 0.643361546 0.032168077 96 VAL 0.657178555 0.032858928 97 GLY 0.748661545 0.037433077 98 ASP 0.792382314 0.039619116 99 ILE 0.750404163 0.037520208 100 LEU 0.764817288 0.038240864 101 TRP 0.785888481 0.039294424 102 GLU 0.757714647 0.037885732 103 HIS 0.8161778 0.04080889 104 LEU 0.828232608 0.04141163 105 GLU 0.78099526 0.039049763 106 ILE 0.759563737 0.037978187 107 LEU 0.648395918 0.032419796 108 GLN 0.744520261 0.037226013 109 LYS 0.739545216 0.036977261 110 GLU 0.420276462 0.021013823 111 ASP 0.137986352 0.006899318 112 VAL -0.339011692 0.016950585 113 LYS -0.475449963 0.023772498 stop_ save_