data_4728 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H assignments of the EGF-like module 3 from vitamin K-dependent protein S ; _BMRB_accession_number 4728 _BMRB_flat_file_name bmr4728.str _Entry_type original _Submission_date 2000-04-28 _Accession_date 2000-05-01 _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 Muranyi Andreas . . 2 Evenas Johan . . 3 Stenberg Yvonne . . 4 Stenflo Johan . . 5 Drakenberg Torbjorn . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 456 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-05-11 original BMRB . stop_ _Original_release_date 2000-05-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N and 13C assignments and secondary structure of the EGF-like module pair 3-4 from vitamin K-dependent protein S ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Muranyi Andreas . . 2 Evenas Johan . . 3 Stenberg Yvonne . . 4 Stenflo Johan . . 5 Drakenberg Torbjorn . . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_system_pS_EGF_3 _Saveframe_category molecular_system _Mol_system_name 'EGF 3 module from human vitamin K-dependent protein S' _Abbreviation_common 'pS EGF 3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'pS EGF 3' $pS_EGF_3 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function anticoagulant stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_pS_EGF_3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'EGF 3 module from human vitamin K-dependent protein S' _Abbreviation_common 'pS EGF 3' _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details ; The sequence of the protein in this study comprises residues 159-203 of human protein S. In the wild-type protein residue 178 is a beta-hydroxylated aspargine (Hyn). The protein used in this study was synthesised with Asn in position 178. ; ############################## # Polymer residue sequence # ############################## _Residue_count 45 _Mol_residue_sequence ; KDVDECSLKPSICGTAVCKN IPGDFECECPEGYRYNLKSK SCEDI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 159 LYS 2 160 ASP 3 161 VAL 4 162 ASP 5 163 GLU 6 164 CYS 7 165 SER 8 166 LEU 9 167 LYS 10 168 PRO 11 169 SER 12 170 ILE 13 171 CYS 14 172 GLY 15 173 THR 16 174 ALA 17 175 VAL 18 176 CYS 19 177 LYS 20 178 ASN 21 179 ILE 22 180 PRO 23 181 GLY 24 182 ASP 25 183 PHE 26 184 GLU 27 185 CYS 28 186 GLU 29 187 CYS 30 188 PRO 31 189 GLU 32 190 GLY 33 191 TYR 34 192 ARG 35 193 TYR 36 194 ASN 37 195 LEU 38 196 LYS 39 197 SER 40 198 LYS 41 199 SER 42 200 CYS 43 201 GLU 44 202 ASP 45 203 ILE stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 4729 'EGF-like module pair 3-4 from human vitamin K-dependent protein S' 100.00 89 100.00 100.00 1.29e-17 PDB 1Z6C 'Solution Structure Of An Egf Pair (Egf34) From Vitamin K- Dependent Protein S' 100.00 87 100.00 100.00 1.48e-17 DBJ BAF85683 'unnamed protein product [Homo sapiens]' 100.00 676 100.00 100.00 1.03e-18 EMBL CAA68687 'preproprotein S [Homo sapiens]' 100.00 676 100.00 100.00 1.03e-18 GenBank AAA36479 'S plasma protein' 100.00 676 100.00 100.00 9.68e-19 GenBank AAA60180 'protein S alpha [Homo sapiens]' 100.00 650 100.00 100.00 9.68e-19 GenBank AAA60357 'S protein' 100.00 676 100.00 100.00 1.03e-18 GenBank AAH15801 'PROS1 protein [Homo sapiens]' 100.00 676 100.00 100.00 1.03e-18 GenBank AAP45054 'protein S (alpha) [Homo sapiens]' 100.00 497 100.00 100.00 2.55e-18 REF NP_000304 'protein S, alpha [Homo sapiens]' 100.00 676 100.00 100.00 1.03e-18 REF XP_516603 'PREDICTED: protein S (alpha) [Pan troglodytes]' 100.00 813 100.00 100.00 8.26e-19 SWISS-PROT P07225 'Vitamin K-dependent protein S precursor' 100.00 676 100.00 100.00 1.03e-18 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $pS_EGF_3 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 $pS_EGF_3 'chemical synthesis' . . . . . 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 $pS_EGF_3 2 mM . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 98.0 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity-Inova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H NOESY' _Sample_label . save_ save_1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H TOCSY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.1 n/a temperature 309 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 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_pS_EGF_3_major_form _Saveframe_category assigned_chemical_shifts _Details 'Major form, in which the Lys 167 - Pro 168 peptide bond is trans.' loop_ _Experiment_label '1H NOESY' '1H TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'pS EGF 3' _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 LYS H H 8.54 0.015 1 2 . 1 LYS HA H 4.31 0.015 1 3 . 1 LYS HB2 H 1.81 0.015 1 4 . 1 LYS HB3 H 1.81 0.015 1 5 . 3 VAL H H 8.05 0.015 1 6 . 3 VAL HA H 4.09 0.015 1 7 . 3 VAL HB H 2.02 0.015 1 8 . 3 VAL HG1 H 0.86 0.015 2 9 . 3 VAL HG2 H 0.91 0.015 2 10 . 4 ASP H H 8.27 0.015 1 11 . 4 ASP HB2 H 2.59 0.015 2 12 . 4 ASP HB3 H 2.80 0.015 2 13 . 5 GLU H H 8.51 0.015 1 14 . 5 GLU HA H 4.01 0.015 1 15 . 5 GLU HB2 H 1.95 0.015 1 16 . 5 GLU HB3 H 1.95 0.015 1 17 . 5 GLU HG2 H 2.27 0.015 1 18 . 5 GLU HG3 H 2.27 0.015 1 19 . 6 CYS H H 8.44 0.015 1 20 . 6 CYS HA H 4.16 0.015 1 21 . 6 CYS HB2 H 2.95 0.015 1 22 . 6 CYS HB3 H 2.95 0.015 1 23 . 7 SER H H 7.76 0.015 1 24 . 7 SER HA H 4.25 0.015 1 25 . 7 SER HB2 H 3.82 0.015 1 26 . 7 SER HB3 H 3.82 0.015 1 27 . 8 LEU H H 7.45 0.015 1 28 . 8 LEU HA H 4.20 0.015 1 29 . 8 LEU HB2 H 1.58 0.015 2 30 . 8 LEU HB3 H 1.73 0.015 2 31 . 8 LEU HG H 1.67 0.015 1 32 . 8 LEU HD1 H 0.83 0.015 2 33 . 8 LEU HD2 H 0.86 0.015 2 34 . 9 LYS H H 7.44 0.015 1 35 . 9 LYS HA H 4.68 0.015 1 36 . 9 LYS HB2 H 1.50 0.015 4 37 . 9 LYS HB3 H 1.50 0.015 4 38 . 9 LYS HG2 H 1.26 0.015 1 39 . 9 LYS HG3 H 1.26 0.015 1 40 . 9 LYS HD2 H 1.50 0.015 4 41 . 9 LYS HD3 H 1.50 0.015 4 42 . 9 LYS HE2 H 2.92 0.015 1 43 . 9 LYS HE3 H 2.92 0.015 1 44 . 10 PRO HA H 4.43 0.015 1 45 . 10 PRO HB2 H 2.30 0.015 1 46 . 10 PRO HB3 H 2.30 0.015 1 47 . 10 PRO HG2 H 1.99 0.015 1 48 . 10 PRO HG3 H 1.99 0.015 1 49 . 10 PRO HD2 H 3.48 0.015 2 50 . 10 PRO HD3 H 3.58 0.015 2 51 . 11 SER H H 8.38 0.015 1 52 . 11 SER HA H 4.59 0.015 1 53 . 11 SER HB2 H 4.01 0.015 2 54 . 11 SER HB3 H 4.52 0.015 2 55 . 12 ILE H H 7.75 0.015 1 56 . 12 ILE HA H 4.02 0.015 1 57 . 12 ILE HB H 1.79 0.015 1 58 . 12 ILE HG12 H 1.25 0.015 2 59 . 12 ILE HG13 H 1.65 0.015 2 60 . 12 ILE HG2 H 0.97 0.015 1 61 . 12 ILE HD1 H 0.64 0.015 1 62 . 13 CYS H H 8.43 0.015 1 63 . 13 CYS HA H 5.11 0.015 1 64 . 13 CYS HB2 H 2.34 0.015 2 65 . 13 CYS HB3 H 2.87 0.015 2 66 . 14 GLY H H 7.94 0.015 1 67 . 14 GLY HA2 H 3.76 0.015 2 68 . 14 GLY HA3 H 4.68 0.015 2 69 . 15 THR H H 8.44 0.015 1 70 . 15 THR HA H 4.43 0.015 1 71 . 15 THR HG2 H 1.30 0.015 1 72 . 16 ALA H H 8.24 0.015 1 73 . 16 ALA HA H 4.56 0.015 1 74 . 16 ALA HB H 1.44 0.015 1 75 . 17 VAL H H 7.87 0.015 1 76 . 17 VAL HA H 4.01 0.015 1 77 . 17 VAL HB H 1.93 0.015 1 78 . 17 VAL HG1 H 0.85 0.015 2 79 . 17 VAL HG2 H 0.93 0.015 2 80 . 18 CYS H H 8.50 0.015 1 81 . 18 CYS HA H 5.04 0.015 1 82 . 18 CYS HB2 H 2.59 0.015 2 83 . 18 CYS HB3 H 3.03 0.015 2 84 . 19 LYS HA H 4.59 0.015 1 85 . 19 LYS HB2 H 1.80 0.015 1 86 . 19 LYS HB3 H 1.80 0.015 1 87 . 19 LYS HG2 H 1.28 0.015 2 88 . 19 LYS HG3 H 1.41 0.015 2 89 . 19 LYS HD2 H 1.65 0.015 1 90 . 19 LYS HD3 H 1.65 0.015 1 91 . 20 ASN H H 8.63 0.015 1 92 . 20 ASN HA H 4.87 0.015 1 93 . 20 ASN HB2 H 2.70 0.015 2 94 . 20 ASN HB3 H 2.80 0.015 2 95 . 20 ASN HD21 H 7.28 0.015 2 96 . 20 ASN HD22 H 7.41 0.015 2 97 . 21 ILE H H 7.95 0.015 1 98 . 21 ILE HB H 1.95 0.015 1 99 . 21 ILE HG2 H 0.74 0.015 1 100 . 21 ILE HD1 H 0.58 0.015 1 101 . 22 PRO HA H 4.31 0.015 1 102 . 22 PRO HB2 H 2.24 0.015 2 103 . 22 PRO HB3 H 2.13 0.015 2 104 . 22 PRO HG2 H 1.93 0.015 1 105 . 22 PRO HG3 H 1.93 0.015 1 106 . 22 PRO HD2 H 3.54 0.015 2 107 . 22 PRO HD3 H 3.76 0.015 2 108 . 23 GLY H H 8.75 0.015 1 109 . 23 GLY HA2 H 3.88 0.015 2 110 . 23 GLY HA3 H 4.04 0.015 2 111 . 24 ASP H H 8.32 0.015 1 112 . 24 ASP HA H 4.86 0.015 1 113 . 24 ASP HB2 H 2.44 0.015 2 114 . 24 ASP HB3 H 2.54 0.015 2 115 . 25 PHE H H 8.74 0.015 1 116 . 25 PHE HA H 5.32 0.015 1 117 . 25 PHE HB2 H 2.93 0.015 2 118 . 25 PHE HB3 H 3.05 0.015 2 119 . 25 PHE HD1 H 6.94 0.015 1 120 . 25 PHE HD2 H 6.94 0.015 1 121 . 25 PHE HE1 H 7.21 0.015 1 122 . 25 PHE HE2 H 7.21 0.015 1 123 . 26 GLU H H 9.04 0.015 1 124 . 26 GLU HA H 4.37 0.015 1 125 . 26 GLU HB2 H 1.82 0.015 1 126 . 26 GLU HB3 H 1.82 0.015 1 127 . 26 GLU HG2 H 2.07 0.015 1 128 . 26 GLU HG3 H 2.07 0.015 1 129 . 27 CYS H H 8.06 0.015 1 130 . 27 CYS HA H 5.25 0.015 1 131 . 28 GLU H H 9.36 0.015 1 132 . 28 GLU HA H 4.53 0.015 1 133 . 28 GLU HB2 H 1.84 0.015 2 134 . 28 GLU HB3 H 1.96 0.015 2 135 . 28 GLU HG2 H 2.07 0.015 2 136 . 28 GLU HG3 H 2.19 0.015 2 137 . 29 CYS H H 8.67 0.015 1 138 . 29 CYS HA H 5.24 0.015 1 139 . 29 CYS HB2 H 2.57 0.015 2 140 . 29 CYS HB3 H 2.96 0.015 2 141 . 30 PRO HA H 4.55 0.015 1 142 . 30 PRO HB2 H 1.87 0.015 2 143 . 30 PRO HB3 H 2.40 0.015 2 144 . 30 PRO HG2 H 1.72 0.015 2 145 . 30 PRO HG3 H 1.83 0.015 2 146 . 30 PRO HD2 H 3.11 0.015 2 147 . 30 PRO HD3 H 3.92 0.015 2 148 . 31 GLU H H 8.38 0.015 1 149 . 31 GLU HA H 4.15 0.015 1 150 . 31 GLU HB2 H 1.99 0.015 2 151 . 31 GLU HB3 H 2.06 0.015 2 152 . 31 GLU HG2 H 2.33 0.015 1 153 . 31 GLU HG3 H 2.33 0.015 1 154 . 32 GLY H H 8.88 0.015 1 155 . 32 GLY HA2 H 3.54 0.015 2 156 . 32 GLY HA3 H 4.25 0.015 2 157 . 33 TYR H H 8.20 0.015 1 158 . 33 TYR HA H 5.11 0.015 1 159 . 33 TYR HB2 H 2.67 0.015 2 160 . 33 TYR HB3 H 3.07 0.015 2 161 . 33 TYR HD1 H 6.74 0.015 1 162 . 33 TYR HD2 H 6.74 0.015 1 163 . 33 TYR HE1 H 6.80 0.015 1 164 . 33 TYR HE2 H 6.80 0.015 1 165 . 34 ARG H H 9.41 0.015 1 166 . 34 ARG HA H 4.79 0.015 1 167 . 34 ARG HB2 H 1.78 0.015 1 168 . 34 ARG HB3 H 1.78 0.015 1 169 . 34 ARG HG2 H 1.61 0.015 1 170 . 34 ARG HG3 H 1.61 0.015 1 171 . 34 ARG HD2 H 3.22 0.015 1 172 . 34 ARG HD3 H 3.22 0.015 1 173 . 34 ARG HE H 7.37 0.015 1 174 . 35 TYR H H 9.07 0.015 1 175 . 35 TYR HA H 4.55 0.015 1 176 . 35 TYR HB2 H 2.79 0.015 2 177 . 35 TYR HB3 H 2.99 0.015 2 178 . 35 TYR HD1 H 6.75 0.015 1 179 . 35 TYR HD2 H 6.75 0.015 1 180 . 35 TYR HE1 H 6.59 0.015 1 181 . 35 TYR HE2 H 6.59 0.015 1 182 . 36 ASN H H 8.33 0.015 4 183 . 36 ASN HA H 4.66 0.015 4 184 . 36 ASN HB2 H 2.27 0.015 4 185 . 36 ASN HB3 H 3.12 0.015 4 186 . 36 ASN HD21 H 6.78 0.015 4 187 . 36 ASN HD22 H 8.06 0.015 4 188 . 37 LEU H H 8.33 0.015 4 189 . 37 LEU HA H 3.79 0.015 4 190 . 37 LEU HD1 H 1.05 0.015 4 191 . 37 LEU HD2 H 1.05 0.015 4 192 . 38 LYS H H 8.12 0.015 1 193 . 38 LYS HA H 4.11 0.015 1 194 . 38 LYS HB2 H 1.87 0.015 1 195 . 38 LYS HB3 H 1.87 0.015 1 196 . 38 LYS HG2 H 1.39 0.015 2 197 . 38 LYS HG3 H 1.50 0.015 2 198 . 38 LYS HD2 H 1.70 0.015 1 199 . 38 LYS HD3 H 1.70 0.015 1 200 . 38 LYS HE2 H 3.00 0.015 1 201 . 38 LYS HE3 H 3.00 0.015 1 202 . 39 SER H H 7.42 0.015 1 203 . 39 SER HA H 4.35 0.015 1 204 . 39 SER HB2 H 3.58 0.015 2 205 . 39 SER HB3 H 3.96 0.015 2 206 . 40 LYS H H 8.01 0.015 4 207 . 40 LYS HA H 3.84 0.015 4 208 . 40 LYS HB2 H 2.12 0.015 4 209 . 40 LYS HB3 H 2.12 0.015 4 210 . 40 LYS HG2 H 1.39 0.015 4 211 . 40 LYS HG3 H 1.39 0.015 4 212 . 40 LYS HD2 H 1.74 0.015 4 213 . 40 LYS HD3 H 1.74 0.015 4 214 . 40 LYS HE2 H 3.07 0.015 4 215 . 40 LYS HE3 H 3.07 0.015 4 216 . 41 SER H H 7.21 0.015 4 217 . 41 SER HA H 4.92 0.015 4 218 . 41 SER HB2 H 3.72 0.015 4 219 . 41 SER HB3 H 3.72 0.015 4 220 . 42 CYS H H 8.57 0.015 1 221 . 42 CYS HA H 5.25 0.015 1 222 . 42 CYS HB2 H 2.70 0.015 2 223 . 42 CYS HB3 H 2.92 0.015 2 224 . 43 GLU H H 9.30 0.015 1 225 . 43 GLU HA H 4.95 0.015 1 226 . 43 GLU HB2 H 2.01 0.015 2 227 . 43 GLU HB3 H 2.15 0.015 2 228 . 43 GLU HG2 H 2.24 0.015 2 229 . 43 GLU HG3 H 2.28 0.015 2 230 . 44 ASP H H 8.75 0.015 1 231 . 44 ASP HA H 4.18 0.015 1 232 . 44 ASP HB2 H 2.37 0.015 1 233 . 44 ASP HB3 H 2.37 0.015 1 234 . 45 ILE H H 7.33 0.015 1 235 . 45 ILE HA H 3.90 0.015 1 236 . 45 ILE HB H 1.65 0.015 1 237 . 45 ILE HG12 H 1.30 0.015 1 238 . 45 ILE HG13 H 1.30 0.015 1 239 . 45 ILE HG2 H 0.93 0.015 1 240 . 45 ILE HD1 H 0.80 0.015 1 stop_ save_ save_pS_EGF_3_minor_form _Saveframe_category assigned_chemical_shifts _Details 'Minor form, in which the Lys 167 - Pro 168 peptide bond is cis.' loop_ _Experiment_label '1H NOESY' '1H TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'pS EGF 3' _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 LYS H H 8.54 0.015 1 2 . 1 LYS HA H 4.31 0.015 1 3 . 1 LYS HB2 H 1.81 0.015 1 4 . 1 LYS HB3 H 1.81 0.015 1 5 . 3 VAL H H 8.26 0.015 1 6 . 3 VAL HA H 4.10 0.015 1 7 . 3 VAL HB H 2.06 0.015 1 8 . 3 VAL HG1 H 0.90 0.015 1 9 . 3 VAL HG2 H 0.90 0.015 1 10 . 4 ASP H H 8.36 0.015 1 11 . 4 ASP HB2 H 2.62 0.015 2 12 . 4 ASP HB3 H 2.74 0.015 2 13 . 6 CYS H H 8.26 0.015 1 14 . 6 CYS HB2 H 3.01 0.015 2 15 . 6 CYS HB3 H 3.23 0.015 2 16 . 7 SER H H 7.86 0.015 1 17 . 7 SER HA H 4.43 0.015 1 18 . 7 SER HB2 H 3.88 0.015 2 19 . 7 SER HB3 H 3.94 0.015 2 20 . 8 LEU H H 6.91 0.015 1 21 . 8 LEU HA H 4.19 0.015 1 22 . 8 LEU HD1 H 0.81 0.015 2 23 . 8 LEU HD2 H 0.89 0.015 2 24 . 9 LYS H H 8.19 0.015 1 25 . 9 LYS HA H 4.42 0.015 1 26 . 9 LYS HB2 H 1.67 0.015 4 27 . 9 LYS HB3 H 1.67 0.015 4 28 . 9 LYS HG2 H 1.33 0.015 2 29 . 9 LYS HG3 H 1.45 0.015 2 30 . 9 LYS HD2 H 1.67 0.015 4 31 . 9 LYS HD3 H 1.67 0.015 4 32 . 9 LYS HE2 H 3.00 0.015 1 33 . 9 LYS HE3 H 3.00 0.015 1 34 . 10 PRO HB2 H 2.41 0.015 1 35 . 10 PRO HB3 H 2.41 0.015 1 36 . 10 PRO HG2 H 1.85 0.015 1 37 . 10 PRO HG3 H 1.85 0.015 1 38 . 10 PRO HD2 H 3.47 0.015 2 39 . 10 PRO HD3 H 3.56 0.015 2 40 . 11 SER H H 8.38 0.015 1 41 . 11 SER HA H 4.59 0.015 1 42 . 11 SER HB2 H 4.01 0.015 2 43 . 11 SER HB3 H 4.52 0.015 2 44 . 12 ILE H H 7.75 0.015 1 45 . 12 ILE HA H 4.02 0.015 1 46 . 12 ILE HB H 1.79 0.015 1 47 . 12 ILE HG12 H 1.25 0.015 2 48 . 12 ILE HG13 H 1.65 0.015 2 49 . 12 ILE HG2 H 0.97 0.015 1 50 . 12 ILE HD1 H 0.64 0.015 1 51 . 13 CYS H H 8.43 0.015 1 52 . 13 CYS HA H 5.11 0.015 1 53 . 13 CYS HB2 H 2.34 0.015 2 54 . 13 CYS HB3 H 2.87 0.015 2 55 . 14 GLY H H 7.94 0.015 1 56 . 14 GLY HA2 H 3.76 0.015 2 57 . 14 GLY HA3 H 4.68 0.015 2 58 . 15 THR H H 8.44 0.015 1 59 . 15 THR HA H 4.43 0.015 1 60 . 15 THR HG2 H 1.30 0.015 1 61 . 16 ALA H H 8.17 0.015 1 62 . 16 ALA HA H 4.57 0.015 1 63 . 16 ALA HB H 1.43 0.015 1 64 . 17 VAL H H 7.95 0.015 1 65 . 17 VAL HA H 3.93 0.015 1 66 . 18 CYS H H 8.49 0.015 1 67 . 18 CYS HA H 5.12 0.015 1 68 . 18 CYS HB2 H 2.40 0.015 2 69 . 18 CYS HB3 H 3.07 0.015 2 70 . 19 LYS HA H 4.59 0.015 1 71 . 19 LYS HB2 H 1.80 0.015 1 72 . 19 LYS HB3 H 1.80 0.015 1 73 . 19 LYS HG2 H 1.28 0.015 2 74 . 19 LYS HG3 H 1.41 0.015 2 75 . 19 LYS HD2 H 1.65 0.015 1 76 . 19 LYS HD3 H 1.65 0.015 1 77 . 20 ASN H H 8.61 0.015 1 78 . 20 ASN HA H 4.86 0.015 1 79 . 20 ASN HB2 H 2.65 0.015 2 80 . 20 ASN HB3 H 2.79 0.015 2 81 . 21 ILE H H 7.91 0.015 1 82 . 21 ILE HG12 H 0.83 0.015 2 83 . 21 ILE HG13 H 0.95 0.015 2 84 . 21 ILE HD1 H 0.58 0.015 1 85 . 22 PRO HA H 4.31 0.015 1 86 . 22 PRO HB2 H 2.24 0.015 2 87 . 22 PRO HB3 H 2.13 0.015 2 88 . 22 PRO HG2 H 1.93 0.015 1 89 . 22 PRO HG3 H 1.93 0.015 1 90 . 22 PRO HD2 H 3.54 0.015 2 91 . 22 PRO HD3 H 3.76 0.015 2 92 . 23 GLY H H 8.75 0.015 1 93 . 23 GLY HA2 H 3.88 0.015 2 94 . 23 GLY HA3 H 4.04 0.015 2 95 . 24 ASP H H 8.28 0.015 1 96 . 24 ASP HA H 4.91 0.015 1 97 . 24 ASP HB2 H 2.44 0.015 2 98 . 24 ASP HB3 H 2.53 0.015 2 99 . 25 PHE H H 8.80 0.015 1 100 . 25 PHE HA H 5.32 0.015 1 101 . 26 GLU H H 8.98 0.015 4 102 . 26 GLU HA H 4.37 0.015 4 103 . 26 GLU HB2 H 1.82 0.015 4 104 . 26 GLU HB3 H 1.82 0.015 4 105 . 27 CYS H H 8.06 0.015 4 106 . 27 CYS HA H 5.25 0.015 4 107 . 28 GLU H H 9.36 0.015 1 108 . 28 GLU HA H 4.53 0.015 1 109 . 28 GLU HB2 H 1.84 0.015 2 110 . 28 GLU HB3 H 1.96 0.015 2 111 . 28 GLU HG2 H 2.07 0.015 2 112 . 28 GLU HG3 H 2.19 0.015 2 113 . 29 CYS H H 8.67 0.015 1 114 . 29 CYS HA H 5.24 0.015 1 115 . 29 CYS HB2 H 2.57 0.015 2 116 . 29 CYS HB3 H 2.96 0.015 2 117 . 30 PRO HA H 4.55 0.015 4 118 . 30 PRO HB2 H 1.87 0.015 4 119 . 30 PRO HB3 H 2.40 0.015 4 120 . 30 PRO HG2 H 1.72 0.015 4 121 . 30 PRO HG3 H 1.83 0.015 4 122 . 30 PRO HD2 H 3.11 0.015 4 123 . 30 PRO HD3 H 3.92 0.015 4 124 . 31 GLU H H 8.38 0.015 4 125 . 31 GLU HA H 4.15 0.015 4 126 . 31 GLU HB2 H 1.99 0.015 4 127 . 31 GLU HB3 H 2.06 0.015 4 128 . 31 GLU HG2 H 2.33 0.015 4 129 . 31 GLU HG3 H 2.33 0.015 4 130 . 32 GLY H H 8.88 0.015 1 131 . 32 GLY HA2 H 3.54 0.015 2 132 . 32 GLY HA3 H 4.25 0.015 2 133 . 33 TYR H H 8.20 0.015 1 134 . 33 TYR HA H 5.11 0.015 1 135 . 33 TYR HB2 H 2.67 0.015 2 136 . 33 TYR HB3 H 3.07 0.015 2 137 . 33 TYR HD1 H 6.74 0.015 1 138 . 33 TYR HD2 H 6.74 0.015 1 139 . 33 TYR HE1 H 6.80 0.015 1 140 . 33 TYR HE2 H 6.80 0.015 1 141 . 34 ARG H H 9.41 0.015 1 142 . 34 ARG HA H 4.79 0.015 1 143 . 34 ARG HB2 H 1.78 0.015 1 144 . 34 ARG HB3 H 1.78 0.015 1 145 . 34 ARG HG2 H 1.61 0.015 1 146 . 34 ARG HG3 H 1.61 0.015 1 147 . 34 ARG HD2 H 3.22 0.015 1 148 . 34 ARG HD3 H 3.22 0.015 1 149 . 34 ARG HE H 7.37 0.015 1 150 . 35 TYR H H 9.07 0.015 1 151 . 35 TYR HA H 4.55 0.015 1 152 . 35 TYR HB2 H 2.79 0.015 2 153 . 35 TYR HB3 H 2.99 0.015 2 154 . 35 TYR HD1 H 6.75 0.015 1 155 . 35 TYR HD2 H 6.75 0.015 1 156 . 35 TYR HE1 H 6.59 0.015 1 157 . 35 TYR HE2 H 6.59 0.015 1 158 . 36 ASN H H 8.33 0.015 1 159 . 36 ASN HA H 4.66 0.015 1 160 . 36 ASN HB2 H 2.27 0.015 2 161 . 36 ASN HB3 H 3.12 0.015 2 162 . 36 ASN HD21 H 6.78 0.015 2 163 . 36 ASN HD22 H 8.06 0.015 2 164 . 37 LEU H H 8.33 0.015 1 165 . 37 LEU HA H 3.79 0.015 1 166 . 37 LEU HD1 H 1.05 0.015 1 167 . 37 LEU HD2 H 1.05 0.015 1 168 . 38 LYS H H 8.12 0.015 1 169 . 38 LYS HA H 4.11 0.015 1 170 . 38 LYS HB2 H 1.87 0.015 1 171 . 38 LYS HB3 H 1.87 0.015 1 172 . 38 LYS HG2 H 1.39 0.015 2 173 . 38 LYS HG3 H 1.50 0.015 2 174 . 38 LYS HD2 H 1.70 0.015 1 175 . 38 LYS HD3 H 1.70 0.015 1 176 . 38 LYS HE2 H 3.00 0.015 1 177 . 38 LYS HE3 H 3.00 0.015 1 178 . 39 SER H H 7.42 0.015 1 179 . 39 SER HA H 4.35 0.015 1 180 . 39 SER HB2 H 3.58 0.015 2 181 . 39 SER HB3 H 3.96 0.015 2 182 . 40 LYS H H 8.01 0.015 1 183 . 40 LYS HA H 3.84 0.015 1 184 . 40 LYS HB2 H 2.12 0.015 1 185 . 40 LYS HB3 H 2.12 0.015 1 186 . 40 LYS HG2 H 1.39 0.015 1 187 . 40 LYS HG3 H 1.39 0.015 1 188 . 40 LYS HD2 H 1.74 0.015 1 189 . 40 LYS HD3 H 1.74 0.015 1 190 . 40 LYS HE2 H 3.07 0.015 1 191 . 40 LYS HE3 H 3.07 0.015 1 192 . 41 SER H H 7.21 0.015 1 193 . 41 SER HA H 4.92 0.015 1 194 . 41 SER HB2 H 3.72 0.015 1 195 . 41 SER HB3 H 3.72 0.015 1 196 . 42 CYS H H 8.57 0.015 1 197 . 42 CYS HA H 5.25 0.015 1 198 . 42 CYS HB2 H 2.70 0.015 2 199 . 42 CYS HB3 H 2.92 0.015 2 200 . 43 GLU H H 9.30 0.015 1 201 . 43 GLU HA H 4.95 0.015 1 202 . 43 GLU HB2 H 2.01 0.015 2 203 . 43 GLU HB3 H 2.15 0.015 2 204 . 43 GLU HG2 H 2.24 0.015 2 205 . 43 GLU HG3 H 2.28 0.015 2 206 . 44 ASP H H 8.75 0.015 1 207 . 44 ASP HA H 4.18 0.015 1 208 . 44 ASP HB2 H 2.37 0.015 1 209 . 44 ASP HB3 H 2.37 0.015 1 210 . 45 ILE H H 7.33 0.015 1 211 . 45 ILE HA H 3.90 0.015 1 212 . 45 ILE HB H 1.65 0.015 1 213 . 45 ILE HG12 H 1.30 0.015 1 214 . 45 ILE HG13 H 1.30 0.015 1 215 . 45 ILE HG2 H 0.93 0.015 1 216 . 45 ILE HD1 H 0.80 0.015 1 stop_ save_