data_5955 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and sidechain assignment of human VASP EVH2 domain ; _BMRB_accession_number 5955 _BMRB_flat_file_name bmr5955.str _Entry_type original _Submission_date 2003-09-18 _Accession_date 2003-09-18 _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 Zimmermann Juergen . . 2 Oschkinat Hartmut . . 3 Ball Linda J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 228 "13C chemical shifts" 148 "15N chemical shifts" 49 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-12-19 original author . stop_ _Original_release_date 2003-12-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Relaxation, equilibrium oligomerization and molecular symmetry of the VASP (336-380) EVH2 tetramer ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 12220179 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zimmermann Juergen . . 2 Labudde Dirk . . 3 Jarchau Thomas . . 4 Walter Ulrich . . 5 Oschkinat Hartmut . . 6 Ball Linda J. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 41 _Journal_issue 37 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11143 _Page_last 11151 _Year 2002 _Details . loop_ _Keyword 'coiled coil' EVH2 Tetramer VASP stop_ save_ ################################## # Molecular system description # ################################## save_VASP_EVH2_domain _Saveframe_category molecular_system _Mol_system_name 'VASP EVH2 domain' _Abbreviation_common 'VASP EVH2 domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'VASP EVH2 domain, chain 1' $Spred2 'VASP EVH2 domain, chain 2' $Spred2 'VASP EVH2 domain, chain 3' $Spred2 'VASP EVH2 domain, chain 4' $Spred2 stop_ _System_molecular_weight 21152 _System_physical_state native _System_oligomer_state tetramer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'VASP EVH2 domain, chain 1' 1 'VASP EVH2 domain, chain 2' 1 'VASP EVH2 domain, chain 3' 1 'VASP EVH2 domain, chain 4' stop_ loop_ _Biological_function 'Actin dynamics' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Spred2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Human VASP EVH2 domain' _Abbreviation_common Spred2 _Molecular_mass 5288 _Mol_thiol_state 'not present' _Details 'mass for tetramer given' ############################## # Polymer residue sequence # ############################## _Residue_count 47 _Mol_residue_sequence ; GSPSSSDYSDLQRVKQELLE EVKKELQKVKEEIIEAFVQE LRKRGSP ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 PRO 4 SER 5 SER 6 SER 7 ASP 8 TYR 9 SER 10 ASP 11 LEU 12 GLN 13 ARG 14 VAL 15 LYS 16 GLN 17 GLU 18 LEU 19 LEU 20 GLU 21 GLU 22 VAL 23 LYS 24 LYS 25 GLU 26 LEU 27 GLN 28 LYS 29 VAL 30 LYS 31 GLU 32 GLU 33 ILE 34 ILE 35 GLU 36 ALA 37 PHE 38 VAL 39 GLN 40 GLU 41 LEU 42 ARG 43 LYS 44 ARG 45 GLY 46 SER 47 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1USD "Human Vasp Tetramerisation Domain L352m" 95.74 45 97.78 100.00 1.98e-20 PDB 1USE "Human Vasp Tetramerisation Domain" 95.74 45 100.00 100.00 1.33e-20 DBJ BAG37336 "unnamed protein product [Homo sapiens]" 97.87 380 97.83 100.00 2.47e-16 DBJ BAJ21098 "vasodilator-stimulated phosphoprotein [synthetic construct]" 97.87 380 97.83 100.00 2.47e-16 EMBL CAA67147 "vasodilator-stimulated phosphoprotein [Homo sapiens]" 97.87 378 97.83 100.00 2.41e-16 EMBL CAA86523 "vasodilator-stimulated phosphoprotein (VASP) [Homo sapiens]" 97.87 380 97.83 100.00 2.47e-16 GB AAH26019 "Vasodilator-stimulated phosphoprotein [Homo sapiens]" 97.87 380 97.83 100.00 1.97e-16 GB AAH38224 "Vasodilator-stimulated phosphoprotein [Homo sapiens]" 97.87 380 97.83 100.00 2.47e-16 GB AIC59345 "VASP, partial [synthetic construct]" 97.87 380 97.83 100.00 1.97e-16 GB EAW57362 "vasodilator-stimulated phosphoprotein, isoform CRA_a [Homo sapiens]" 97.87 380 97.83 100.00 2.47e-16 GB EAW57363 "vasodilator-stimulated phosphoprotein, isoform CRA_b [Homo sapiens]" 97.87 367 97.83 100.00 1.43e-20 REF NP_003361 "vasodilator-stimulated phosphoprotein [Homo sapiens]" 97.87 380 97.83 100.00 2.47e-16 REF XP_003817563 "PREDICTED: vasodilator-stimulated phosphoprotein isoform X1 [Pan paniscus]" 97.87 380 97.83 100.00 2.05e-20 REF XP_005259256 "PREDICTED: vasodilator-stimulated phosphoprotein isoform X1 [Homo sapiens]" 97.87 379 97.83 100.00 1.85e-16 REF XP_005259257 "PREDICTED: vasodilator-stimulated phosphoprotein isoform X2 [Homo sapiens]" 97.87 379 97.83 100.00 1.85e-16 REF XP_008968979 "PREDICTED: vasodilator-stimulated phosphoprotein isoform X2 [Pan paniscus]" 97.87 379 97.83 100.00 1.83e-16 SP P50552 "RecName: Full=Vasodilator-stimulated phosphoprotein; Short=VASP [Homo sapiens]" 97.87 380 97.83 100.00 2.47e-16 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Spred2 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 $Spred2 'recombinant technology' . . . . . 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 $Spred2 4.5 mM [U-15N] stop_ save_ save_Sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Spred2 4.0 mM '[U-15N; U-13C]' stop_ save_ ############################ # Computer software used # ############################ save_Bruker_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Task 'data collection' processing stop_ _Details . save_ save_ANSIG _Saveframe_category software _Name ANSIG _Version 3.3 loop_ _Task assignment 'spectra handling' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-NOESY-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY-HSQC _Sample_label . save_ save_13C-NOESY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-NOESY-HSQC _Sample_label . save_ save_13C-HMQC-NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HMQC-NOESY _Sample_label . save_ save_CBCACONNH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONNH _Sample_label . save_ save_CBCANNH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANNH _Sample_label . save_ save_15N-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _Sample_label . save_ save_15N-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-TOCSY _Sample_label . save_ save_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_HNHB_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-NOESY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HMQC-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.05 n/a temperature 300 2 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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $Sample_1 $Sample_2 stop_ _Sample_conditions_label $Cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'VASP EVH2 domain, chain 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 . 1 GLY N N 108.7 0.1 1 2 . 1 GLY CA C 45.2 0.1 1 3 . 1 GLY HA2 H 4.02 0.03 1 4 . 1 GLY HA3 H 4.02 0.03 1 5 . 1 GLY C C 176.8 0.1 1 6 . 2 SER N N 119.7 0.1 1 7 . 2 SER H H 7.86 0.03 1 8 . 2 SER CA C 56.5 0.1 1 9 . 2 SER HA H 4.37 0.03 1 10 . 2 SER HB2 H 2.59 0.03 1 11 . 2 SER HB3 H 2.59 0.03 1 12 . 3 PRO CA C 62.9 0.1 1 13 . 3 PRO CB C 34.5 0.1 1 14 . 4 SER N N 117.9 0.1 1 15 . 4 SER H H 8.78 0.03 1 16 . 4 SER CA C 58.7 0.1 1 17 . 4 SER HA H 4.77 0.03 1 18 . 4 SER CB C 64.1 0.1 1 19 . 4 SER HB2 H 3.97 0.03 1 20 . 4 SER HB3 H 3.97 0.03 1 21 . 4 SER C C 176.6 0.1 1 22 . 5 SER N N 117.9 0.1 1 23 . 5 SER H H 8.51 0.03 1 24 . 5 SER CA C 58.3 0.1 1 25 . 5 SER HA H 4.53 0.03 1 26 . 5 SER CB C 63.9 0.1 1 27 . 5 SER HB2 H 3.95 0.03 1 28 . 5 SER HB3 H 3.95 0.03 1 29 . 5 SER C C 174.8 0.1 1 30 . 6 SER N N 117.8 0.1 1 31 . 6 SER H H 8.41 0.03 1 32 . 6 SER CA C 58.6 0.1 1 33 . 6 SER HA H 4.50 0.03 1 34 . 6 SER CB C 64.0 0.1 1 35 . 6 SER HB2 H 3.89 0.03 1 36 . 6 SER HB3 H 3.89 0.03 1 37 . 6 SER C C 174.8 0.1 1 38 . 7 ASP N N 122.4 0.1 1 39 . 7 ASP H H 7.73 0.03 1 40 . 7 ASP CA C 54.7 0.1 1 41 . 7 ASP HA H 4.62 0.03 1 42 . 7 ASP CB C 41.2 0.1 1 43 . 7 ASP HB2 H 2.67 0.03 1 44 . 7 ASP HB3 H 2.67 0.03 1 45 . 7 ASP C C 174.2 0.1 1 46 . 8 TYR N N 121.2 0.1 1 47 . 8 TYR H H 7.32 0.03 1 48 . 8 TYR CA C 58.9 0.1 1 49 . 8 TYR HA H 4.45 0.03 1 50 . 8 TYR CB C 38.6 0.1 1 51 . 8 TYR HB2 H 3.05 0.03 1 52 . 8 TYR HB3 H 3.05 0.03 1 53 . 8 TYR HD1 H 7.07 0.03 1 54 . 8 TYR HD2 H 7.07 0.03 1 55 . 8 TYR CD1 C 133.0 0.1 1 56 . 8 TYR CD2 C 133.0 0.1 1 57 . 8 TYR C C 176.4 0.1 1 58 . 9 SER N N 116.7 0.1 1 59 . 9 SER H H 8.31 0.03 1 60 . 9 SER CA C 60.0 0.1 1 61 . 9 SER HA H 4.29 0.03 1 62 . 9 SER CB C 63.5 0.1 1 63 . 9 SER HB2 H 3.93 0.03 2 64 . 9 SER HB3 H 4.07 0.03 2 65 . 9 SER C C 176.5 0.1 1 66 . 10 ASP N N 122.9 0.1 1 67 . 10 ASP H H 8.48 0.03 1 68 . 10 ASP CA C 57.0 0.1 1 69 . 10 ASP HA H 4.53 0.03 1 70 . 10 ASP CB C 40.6 0.1 1 71 . 10 ASP HB2 H 2.67 0.03 2 72 . 10 ASP HB3 H 2.78 0.03 2 73 . 10 ASP C C 175.9 0.1 1 74 . 11 LEU N N 120.4 0.1 1 75 . 11 LEU H H 8.11 0.03 1 76 . 11 LEU CA C 58.0 0.1 1 77 . 11 LEU HA H 3.96 0.03 1 78 . 11 LEU CB C 41.9 0.1 1 79 . 11 LEU HB2 H 1.56 0.03 2 80 . 11 LEU HB3 H 1.71 0.03 2 81 . 11 LEU HD1 H 0.84 0.03 1 82 . 11 LEU HD2 H 0.84 0.03 1 83 . 11 LEU CD1 C 24.1 0.1 1 84 . 11 LEU CD2 C 24.1 0.1 1 85 . 11 LEU C C 177.8 0.1 1 86 . 12 GLN N N 117.4 0.1 1 87 . 12 GLN H H 8.02 0.03 1 88 . 12 GLN CA C 58.8 0.1 1 89 . 12 GLN HA H 3.87 0.03 1 90 . 12 GLN CB C 27.7 0.1 1 91 . 12 GLN HB2 H 2.05 0.03 2 92 . 12 GLN HB3 H 2.06 0.03 2 93 . 12 GLN CG C 33.7 0.1 1 94 . 12 GLN HG2 H 2.25 0.03 2 95 . 12 GLN HG3 H 2.28 0.03 2 96 . 12 GLN NE2 N 112.7 0.1 1 97 . 12 GLN HE21 H 7.22 0.03 2 98 . 12 GLN HE22 H 7.15 0.03 2 99 . 12 GLN C C 178.3 0.1 1 100 . 13 ARG N N 120.3 0.1 1 101 . 13 ARG H H 7.93 0.03 1 102 . 13 ARG CA C 59.5 0.1 1 103 . 13 ARG HA H 4.08 0.03 1 104 . 13 ARG CB C 29.7 0.1 1 105 . 13 ARG HB2 H 2.01 0.03 1 106 . 13 ARG HB3 H 2.01 0.03 1 107 . 13 ARG C C 178.6 0.1 1 108 . 14 VAL N N 119.4 0.1 1 109 . 14 VAL H H 8.02 0.03 1 110 . 14 VAL CA C 66.6 0.1 1 111 . 14 VAL HA H 3.72 0.03 1 112 . 14 VAL CB C 31.2 0.1 1 113 . 14 VAL HB H 2.14 0.03 1 114 . 14 VAL HG1 H 1.02 0.03 1 115 . 14 VAL HG2 H 1.02 0.03 1 116 . 14 VAL C C 178.7 0.1 1 117 . 15 LYS N N 120.5 0.1 1 118 . 15 LYS H H 8.23 0.03 1 119 . 15 LYS CA C 60.4 0.1 1 120 . 15 LYS HA H 3.72 0.03 1 121 . 15 LYS CB C 31.4 0.1 1 122 . 15 LYS HB2 H 1.82 0.03 1 123 . 15 LYS HB3 H 1.82 0.03 1 124 . 15 LYS HG2 H 1.31 0.03 1 125 . 15 LYS HG3 H 1.31 0.03 1 126 . 15 LYS HD2 H 1.50 0.03 1 127 . 15 LYS HD3 H 1.50 0.03 1 128 . 15 LYS C C 177.2 0.1 1 129 . 16 GLN N N 117.4 0.1 1 130 . 16 GLN H H 7.92 0.03 1 131 . 16 GLN CA C 58.8 0.1 1 132 . 16 GLN HA H 4.02 0.03 1 133 . 16 GLN CB C 28.1 0.1 1 134 . 16 GLN HB2 H 2.23 0.03 1 135 . 16 GLN HB3 H 2.23 0.03 1 136 . 16 GLN CG C 33.4 0.1 1 137 . 16 GLN HG2 H 2.52 0.03 1 138 . 16 GLN HG3 H 2.52 0.03 1 139 . 16 GLN NE2 N 111.5 0.1 1 140 . 16 GLN HE21 H 7.61 0.03 2 141 . 16 GLN HE22 H 6.77 0.03 2 142 . 16 GLN C C 177.2 0.1 1 143 . 17 GLU N N 119.6 0.1 1 144 . 17 GLU H H 8.40 0.03 1 145 . 17 GLU CA C 59.5 0.1 1 146 . 17 GLU HA H 4.08 0.03 1 147 . 17 GLU CB C 30.1 0.1 1 148 . 17 GLU HB2 H 2.23 0.03 2 149 . 17 GLU HB3 H 2.41 0.03 2 150 . 17 GLU C C 178.8 0.1 1 151 . 18 LEU N N 119.1 0.1 1 152 . 18 LEU H H 8.68 0.03 1 153 . 18 LEU CA C 58.2 0.1 1 154 . 18 LEU HA H 4.01 0.03 1 155 . 18 LEU CB C 42.5 0.1 1 156 . 18 LEU HB2 H 1.62 0.03 2 157 . 18 LEU HB3 H 1.88 0.03 2 158 . 18 LEU HD1 H 0.85 0.03 1 159 . 18 LEU HD2 H 0.85 0.03 1 160 . 18 LEU C C 179.5 0.1 1 161 . 19 LEU N N 118.6 0.1 1 162 . 19 LEU H H 8.28 0.03 1 163 . 19 LEU CA C 58.4 0.1 1 164 . 19 LEU HA H 3.87 0.03 1 165 . 19 LEU CB C 41.4 0.1 1 166 . 19 LEU HB2 H 1.74 0.03 1 167 . 19 LEU HB3 H 1.74 0.03 1 168 . 19 LEU HD1 H 0.89 0.03 1 169 . 19 LEU HD2 H 0.89 0.03 1 170 . 19 LEU C C 178.5 0.1 1 171 . 20 GLU N N 118.1 0.1 1 172 . 20 GLU H H 8.21 0.03 1 173 . 20 GLU CA C 58.7 0.1 1 174 . 20 GLU HA H 4.02 0.03 1 175 . 20 GLU CB C 29.2 0.1 1 176 . 20 GLU HB2 H 2.00 0.03 2 177 . 20 GLU HB3 H 2.18 0.03 2 178 . 20 GLU CG C 36.0 0.1 1 179 . 20 GLU HG2 H 2.42 0.03 1 180 . 20 GLU HG3 H 2.42 0.03 1 181 . 20 GLU C C 178.7 0.1 1 182 . 21 GLU N N 118.7 0.1 1 183 . 21 GLU H H 8.09 0.03 1 184 . 21 GLU CA C 59.4 0.1 1 185 . 21 GLU HA H 4.18 0.03 1 186 . 21 GLU CB C 29.9 0.1 1 187 . 21 GLU HB2 H 1.86 0.03 2 188 . 21 GLU HB3 H 2.18 0.03 2 189 . 21 GLU C C 176.6 0.1 1 190 . 22 VAL N N 120.8 0.1 1 191 . 22 VAL H H 8.84 0.03 1 192 . 22 VAL CA C 67.6 0.1 1 193 . 22 VAL HA H 3.45 0.03 1 194 . 22 VAL CB C 31.1 0.1 1 195 . 22 VAL HB H 2.25 0.03 1 196 . 22 VAL HG1 H 0.96 0.03 1 197 . 22 VAL HG2 H 0.96 0.03 1 198 . 22 VAL C C 179.8 0.1 1 199 . 23 LYS N N 119.5 0.1 1 200 . 23 LYS H H 8.64 0.03 1 201 . 23 LYS CA C 61.6 0.1 1 202 . 23 LYS HA H 3.81 0.03 1 203 . 23 LYS CB C 30.9 0.1 1 204 . 23 LYS HB2 H 1.94 0.03 1 205 . 23 LYS HB3 H 1.94 0.03 1 206 . 23 LYS C C 177.7 0.1 1 207 . 24 LYS N N 119.1 0.1 1 208 . 24 LYS H H 7.71 0.03 1 209 . 24 LYS CA C 59.8 0.1 1 210 . 24 LYS HA H 4.05 0.03 1 211 . 24 LYS CB C 32.5 0.1 1 212 . 24 LYS HB2 H 1.94 0.03 2 213 . 24 LYS HB3 H 2.03 0.03 2 214 . 24 LYS CG C 25.2 0.1 1 215 . 24 LYS HG2 H 1.70 0.03 1 216 . 24 LYS HG3 H 1.70 0.03 1 217 . 24 LYS C C 179.1 0.1 1 218 . 25 GLU N N 120.5 0.1 1 219 . 25 GLU H H 8.06 0.03 1 220 . 25 GLU CA C 58.5 0.1 1 221 . 25 GLU HA H 4.15 0.03 1 222 . 25 GLU CB C 28.6 0.1 1 223 . 25 GLU HB2 H 2.02 0.03 1 224 . 25 GLU HB3 H 2.02 0.03 1 225 . 25 GLU HG2 H 2.46 0.03 1 226 . 25 GLU HG3 H 2.46 0.03 1 227 . 25 GLU C C 179.8 0.1 1 228 . 26 LEU N N 119.8 0.1 1 229 . 26 LEU H H 8.74 0.03 1 230 . 26 LEU CA C 57.7 0.1 1 231 . 26 LEU HA H 4.01 0.03 1 232 . 26 LEU CB C 41.8 0.1 1 233 . 26 LEU HB2 H 1.46 0.03 2 234 . 26 LEU HB3 H 2.10 0.03 2 235 . 26 LEU HD1 H 0.82 0.03 1 236 . 26 LEU HD2 H 0.82 0.03 1 237 . 26 LEU CD1 C 26.7 0.1 1 238 . 26 LEU CD2 C 26.7 0.1 1 239 . 26 LEU C C 179.4 0.1 1 240 . 27 GLN N N 118.1 0.1 1 241 . 27 GLN H H 7.93 0.03 1 242 . 27 GLN CA C 58.8 0.1 1 243 . 27 GLN HA H 3.91 0.03 1 244 . 27 GLN CB C 27.8 0.1 1 245 . 27 GLN HB2 H 2.21 0.03 2 246 . 27 GLN HB3 H 2.22 0.03 2 247 . 27 GLN NE2 N 114.6 0.1 1 248 . 27 GLN HE21 H 7.99 0.03 2 249 . 27 GLN HE22 H 7.22 0.03 2 250 . 27 GLN C C 178.2 0.1 1 251 . 28 LYS N N 119.4 0.1 1 252 . 28 LYS H H 7.53 0.03 1 253 . 28 LYS CA C 59.5 0.1 1 254 . 28 LYS HA H 4.10 0.03 1 255 . 28 LYS CB C 32.5 0.1 1 256 . 28 LYS HB2 H 1.92 0.03 2 257 . 28 LYS HB3 H 2.04 0.03 2 258 . 28 LYS HG2 H 1.43 0.03 1 259 . 28 LYS HG3 H 1.43 0.03 1 260 . 28 LYS HD2 H 1.58 0.03 1 261 . 28 LYS HD3 H 1.58 0.03 1 262 . 28 LYS HE2 H 2.54 0.03 1 263 . 28 LYS HE3 H 2.54 0.03 1 264 . 28 LYS C C 177.9 0.1 1 265 . 29 VAL N N 118.5 0.1 1 266 . 29 VAL H H 8.06 0.03 1 267 . 29 VAL CA C 66.3 0.1 1 268 . 29 VAL HA H 3.81 0.03 1 269 . 29 VAL CB C 31.5 0.1 1 270 . 29 VAL HB H 2.19 0.03 1 271 . 29 VAL HG1 H 1.12 0.03 1 272 . 29 VAL HG2 H 1.12 0.03 1 273 . 29 VAL CG1 C 23.8 0.1 1 274 . 29 VAL CG2 C 23.8 0.1 1 275 . 29 VAL C C 179.0 0.1 1 276 . 30 LYS N N 117.1 0.1 1 277 . 30 LYS H H 8.11 0.03 1 278 . 30 LYS HA H 4.77 0.03 1 279 . 31 GLU N N 121.0 0.1 1 280 . 31 GLU H H 8.34 0.03 1 281 . 31 GLU CA C 60.3 0.1 1 282 . 31 GLU HA H 3.72 0.03 1 283 . 31 GLU CB C 31.3 0.1 1 284 . 31 GLU HB2 H 1.86 0.03 1 285 . 31 GLU HB3 H 1.86 0.03 1 286 . 31 GLU HG2 H 2.16 0.03 1 287 . 31 GLU HG3 H 2.16 0.03 1 288 . 31 GLU C C 177.2 0.1 1 289 . 32 GLU N N 116.6 0.1 1 290 . 32 GLU H H 7.95 0.03 1 291 . 32 GLU CA C 59.7 0.1 1 292 . 32 GLU HA H 3.93 0.03 1 293 . 32 GLU CB C 29.3 0.1 1 294 . 32 GLU HB2 H 2.12 0.03 2 295 . 32 GLU HB3 H 2.27 0.03 2 296 . 32 GLU C C 177.4 0.1 1 297 . 33 ILE N N 119.1 0.1 1 298 . 33 ILE H H 8.22 0.03 1 299 . 33 ILE CA C 59.6 0.1 1 300 . 33 ILE HA H 4.06 0.03 1 301 . 33 ILE CB C 30.5 0.1 1 302 . 33 ILE HB H 1.95 0.03 1 303 . 33 ILE HD1 H 0.83 0.03 1 304 . 33 ILE C C 179.7 0.1 1 305 . 34 ILE N N 121.3 0.1 1 306 . 34 ILE H H 8.62 0.03 1 307 . 34 ILE CA C 66.2 0.1 1 308 . 34 ILE HA H 3.55 0.03 1 309 . 34 ILE CB C 38.0 0.1 1 310 . 34 ILE HB H 1.93 0.03 1 311 . 34 ILE HD1 H 0.84 0.03 1 312 . 34 ILE CD1 C 18.1 0.1 1 313 . 34 ILE C C 180.2 0.1 1 314 . 35 GLU N N 118.0 0.1 1 315 . 35 GLU H H 8.18 0.03 1 316 . 35 GLU CA C 59.4 0.1 1 317 . 35 GLU HA H 4.03 0.03 1 318 . 35 GLU CB C 29.2 0.1 1 319 . 35 GLU HB2 H 2.01 0.03 2 320 . 35 GLU HB3 H 2.14 0.03 2 321 . 35 GLU C C 177.4 0.1 1 322 . 36 ALA N N 120.3 0.1 1 323 . 36 ALA H H 7.86 0.03 1 324 . 36 ALA CA C 55.1 0.1 1 325 . 36 ALA HA H 4.22 0.03 1 326 . 36 ALA HB H 1.66 0.03 1 327 . 36 ALA CB C 18.6 0.1 1 328 . 36 ALA C C 178.6 0.1 1 329 . 37 PHE N N 118.4 0.1 1 330 . 37 PHE H H 8.30 0.03 1 331 . 37 PHE CA C 59.8 0.1 1 332 . 37 PHE HA H 4.18 0.03 1 333 . 37 PHE CB C 38.3 0.1 1 334 . 37 PHE HB2 H 2.79 0.03 2 335 . 37 PHE HB3 H 3.02 0.03 2 336 . 37 PHE HD1 H 6.42 0.03 1 337 . 37 PHE HD2 H 6.42 0.03 1 338 . 37 PHE HE1 H 6.84 0.03 1 339 . 37 PHE HE2 H 6.84 0.03 1 340 . 37 PHE CD1 C 131.0 0.1 1 341 . 37 PHE CE1 C 130.7 0.1 1 342 . 37 PHE CE2 C 130.7 0.1 1 343 . 37 PHE CD2 C 131.0 0.1 1 344 . 37 PHE C C 180.7 0.1 1 345 . 38 VAL N N 121.1 0.1 1 346 . 38 VAL H H 8.57 0.03 1 347 . 38 VAL CA C 67.4 0.1 1 348 . 38 VAL HA H 3.36 0.03 1 349 . 38 VAL CB C 31.5 0.1 1 350 . 38 VAL HB H 2.14 0.03 1 351 . 38 VAL HG1 H 1.01 0.03 1 352 . 38 VAL HG2 H 1.01 0.03 1 353 . 38 VAL C C 177.3 0.1 1 354 . 39 GLN N N 117.3 0.1 1 355 . 39 GLN H H 8.31 0.03 1 356 . 39 GLN CA C 58.9 0.1 1 357 . 39 GLN HA H 3.97 0.03 1 358 . 39 GLN CB C 28.1 0.1 1 359 . 39 GLN HB2 H 2.17 0.03 1 360 . 39 GLN HB3 H 2.17 0.03 1 361 . 39 GLN CG C 33.9 0.1 1 362 . 39 GLN HG2 H 2.52 0.03 1 363 . 39 GLN HG3 H 2.52 0.03 1 364 . 39 GLN NE2 N 112.3 0.1 1 365 . 39 GLN HE21 H 7.71 0.03 2 366 . 39 GLN HE22 H 6.82 0.03 2 367 . 39 GLN C C 178.8 0.1 1 368 . 40 GLU N N 118.8 0.1 1 369 . 40 GLU H H 7.98 0.03 1 370 . 40 GLU CA C 58.5 0.1 1 371 . 40 GLU HA H 4.11 0.03 1 372 . 40 GLU CB C 29.1 0.1 1 373 . 40 GLU HB2 H 2.09 0.03 2 374 . 40 GLU HB3 H 2.23 0.03 2 375 . 40 GLU C C 179.2 0.1 1 376 . 41 LEU N N 119.3 0.1 1 377 . 41 LEU H H 8.32 0.03 1 378 . 41 LEU CA C 57.7 0.1 1 379 . 41 LEU HA H 4.03 0.03 1 380 . 41 LEU CB C 41.7 0.1 1 381 . 41 LEU HB2 H 1.47 0.03 2 382 . 41 LEU HB3 H 1.85 0.03 2 383 . 41 LEU HD1 H 0.85 0.03 1 384 . 41 LEU HD2 H 0.85 0.03 1 385 . 41 LEU C C 179.5 0.1 1 386 . 42 ARG N N 118.0 0.1 1 387 . 42 ARG H H 8.00 0.03 1 388 . 42 ARG CA C 58.4 0.1 1 389 . 42 ARG HA H 4.14 0.03 1 390 . 42 ARG CB C 30.2 0.1 1 391 . 42 ARG HB2 H 1.84 0.03 2 392 . 42 ARG HB3 H 1.93 0.03 2 393 . 42 ARG C C 179.6 0.1 1 394 . 43 LYS N N 119.2 0.1 1 395 . 43 LYS H H 7.67 0.03 1 396 . 43 LYS CA C 57.9 0.1 1 397 . 43 LYS HA H 4.16 0.03 1 398 . 43 LYS CB C 32.7 0.1 1 399 . 43 LYS HB2 H 1.93 0.03 1 400 . 43 LYS HB3 H 1.93 0.03 1 401 . 43 LYS HG2 H 1.65 0.03 1 402 . 43 LYS HG3 H 1.65 0.03 1 403 . 43 LYS C C 178.1 0.1 1 404 . 44 ARG N N 119.0 0.1 1 405 . 44 ARG H H 7.82 0.03 1 406 . 44 ARG CA C 56.4 0.1 1 407 . 44 ARG HA H 4.35 0.03 1 408 . 44 ARG CB C 30.6 0.1 1 409 . 44 ARG HB2 H 1.84 0.03 2 410 . 44 ARG HB3 H 2.01 0.03 2 411 . 44 ARG C C 177.4 0.1 1 412 . 45 GLY N N 109.5 0.1 1 413 . 45 GLY H H 8.18 0.03 1 414 . 45 GLY CA C 45.3 0.1 1 415 . 45 GLY HA2 H 3.98 0.03 1 416 . 45 GLY HA3 H 3.98 0.03 1 417 . 45 GLY C C 176.8 0.1 1 418 . 46 SER N N 115.3 0.1 1 419 . 46 SER H H 7.88 0.03 1 420 . 46 SER CA C 55.8 0.1 1 421 . 46 SER HA H 4.69 0.03 1 422 . 46 SER CB C 64.4 0.1 1 423 . 46 SER HB2 H 3.74 0.03 1 424 . 46 SER HB3 H 3.74 0.03 1 425 . 46 SER C C 172.8 0.1 1 stop_ save_