data_26954 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Fyn SH3 V39V/N53P/V55L delta56 ; _BMRB_accession_number 26954 _BMRB_flat_file_name bmr26954.str _Entry_type original _Submission_date 2016-11-23 _Accession_date 2016-11-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone chemical shifts for the truncation (delta56) mutant of FynSH3 V39V/N53P/V55L.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Libich David S. . 2 Tugarinov Vitali . . 3 Ghirlando Rodolfo . . 4 Clore 'G. Marius' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count residual_dipolar_couplings 1 assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 57 "13C chemical shifts" 171 "15N chemical shifts" 57 "residual dipolar couplings" 43 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-02-24 update BMRB 'update entry citation' 2017-02-06 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26955 'Fyn SH3 WT delta57' stop_ _Original_release_date 2016-11-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Confinement and Stabilization of Fyn SH3 Folding Intermediate Mimetics within the Cavity of the Chaperonin GroEL Demonstrated by Relaxation-Based NMR ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28156097 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Libich David S. . 2 Tugarinov Vitali . . 3 Ghirlando Rodolfo . . 4 Clore 'G. Marius' . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 56 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 903 _Page_last 906 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Fyn SH3 V39V/N53P/V55L delta56' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label VPLd56 $VPLd56 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_VPLd56 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common VPLd56 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 61 _Mol_residue_sequence ; GAMVQISTLFEALYDYEART EDDLSFHKGEKFQILNSSEG DWWEVRSLTTGETGYIPSPY L ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -5 GLY 2 -4 ALA 3 -3 MET 4 -2 VAL 5 -1 GLN 6 0 ILE 7 1 SER 8 2 THR 9 3 LEU 10 4 PHE 11 5 GLU 12 6 ALA 13 7 LEU 14 8 TYR 15 9 ASP 16 10 TYR 17 11 GLU 18 12 ALA 19 13 ARG 20 14 THR 21 15 GLU 22 16 ASP 23 17 ASP 24 18 LEU 25 19 SER 26 20 PHE 27 21 HIS 28 22 LYS 29 23 GLY 30 24 GLU 31 25 LYS 32 26 PHE 33 27 GLN 34 28 ILE 35 29 LEU 36 30 ASN 37 31 SER 38 32 SER 39 33 GLU 40 34 GLY 41 35 ASP 42 36 TRP 43 37 TRP 44 38 GLU 45 39 VAL 46 40 ARG 47 41 SER 48 42 LEU 49 43 THR 50 44 THR 51 45 GLY 52 46 GLU 53 47 THR 54 48 GLY 55 49 TYR 56 50 ILE 57 51 PRO 58 52 SER 59 53 PRO 60 54 TYR 61 55 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $VPLd56 chicken 9031 Eukaryota Metazoa Gallus gallus 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 $VPLd56 'recombinant technology' . Escherichia coli DE3 pET21a 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 $VPLd56 0.1 mM '[U-13C; U-15N]' 'sodium phosphate' 50 mM 'natural abundance' EDTA 0.2 mM 'natural abundance' 'sodium azide' 0.05 '% w/v' 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address CCPN . . 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'chemical shift assignment' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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 pH 7.0 . pH pressure 1 . atm temperature 283 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '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 VPLd56 _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 -5 1 GLY C C 169.83 0.1 1 2 -5 1 GLY CA C 43.214 0.1 1 3 -4 2 ALA H H 8.604 0.01 1 4 -4 2 ALA C C 172.865 0.1 1 5 -4 2 ALA CA C 52.374 0.1 1 6 -4 2 ALA CB C 19.469 0.1 1 7 -4 2 ALA N N 123.414 0.1 1 8 -3 3 MET H H 8.525 0.01 1 9 -3 3 MET C C 174.415 0.1 1 10 -3 3 MET CA C 55.377 0.1 1 11 -3 3 MET CB C 33.099 0.1 1 12 -3 3 MET N N 120.473 0.1 1 13 -2 4 VAL H H 8.294 0.01 1 14 -2 4 VAL C C 174.863 0.1 1 15 -2 4 VAL CA C 62.008 0.1 1 16 -2 4 VAL CB C 32.952 0.1 1 17 -2 4 VAL N N 122.745 0.1 1 18 -1 5 GLN H H 8.584 0.01 1 19 -1 5 GLN C C 174.693 0.1 1 20 -1 5 GLN CA C 55.454 0.1 1 21 -1 5 GLN CB C 29.469 0.1 1 22 -1 5 GLN N N 125.381 0.1 1 23 0 6 ILE H H 8.438 0.01 1 24 0 6 ILE C C 176.218 0.1 1 25 0 6 ILE CA C 61.333 0.1 1 26 0 6 ILE CB C 38.730 0.1 1 27 0 6 ILE N N 124.068 0.1 1 28 1 7 SER H H 8.533 0.01 1 29 1 7 SER C C 175.731 0.1 1 30 1 7 SER CA C 58.343 0.1 1 31 1 7 SER CB C 63.669 0.1 1 32 1 7 SER N N 119.807 0.1 1 33 2 8 THR H H 8.290 0.01 1 34 2 8 THR C C 177.091 0.1 1 35 2 8 THR CA C 62.132 0.1 1 36 2 8 THR CB C 69.509 0.1 1 37 2 8 THR N N 115.727 0.1 1 38 3 9 LEU H H 8.147 0.01 1 39 3 9 LEU CA C 54.059 0.1 1 40 3 9 LEU CB C 44.189 0.1 1 41 3 9 LEU N N 123.789 0.1 1 42 4 10 PHE H H 9.123 0.01 1 43 4 10 PHE N N 123.431 0.1 1 44 5 11 GLU C C 176.460 0.1 1 45 5 11 GLU CA C 53.645 0.1 1 46 5 11 GLU CB C 32.152 0.1 1 47 6 12 ALA H H 8.704 0.01 1 48 6 12 ALA C C 179.93 0.1 1 49 6 12 ALA CA C 52.567 0.1 1 50 6 12 ALA CB C 20.473 0.1 1 51 6 12 ALA N N 126.081 0.1 1 52 7 13 LEU H H 8.888 0.01 1 53 7 13 LEU C C 174.877 0.1 1 54 7 13 LEU CA C 55.036 0.1 1 55 7 13 LEU CB C 43.317 0.1 1 56 7 13 LEU N N 123.284 0.1 1 57 8 14 TYR H H 7.351 0.01 1 58 8 14 TYR C C 178.701 0.1 1 59 8 14 TYR CA C 54.960 0.1 1 60 8 14 TYR CB C 39.268 0.1 1 61 8 14 TYR N N 114.497 0.1 1 62 9 15 ASP H H 8.392 0.01 1 63 9 15 ASP C C 175.028 0.1 1 64 9 15 ASP CA C 53.763 0.1 1 65 9 15 ASP CB C 42.331 0.1 1 66 9 15 ASP N N 116.341 0.1 1 67 10 16 TYR H H 8.518 0.01 1 68 10 16 TYR C C 177.312 0.1 1 69 10 16 TYR CA C 57.689 0.1 1 70 10 16 TYR CB C 42.312 0.1 1 71 10 16 TYR N N 124.042 0.1 1 72 11 17 GLU H H 7.541 0.01 1 73 11 17 GLU C C 176.889 0.1 1 74 11 17 GLU CA C 53.754 0.1 1 75 11 17 GLU CB C 30.788 0.1 1 76 11 17 GLU N N 128.310 0.1 1 77 12 18 ALA H H 8.277 0.01 1 78 12 18 ALA C C 171.811 0.1 1 79 12 18 ALA CA C 52.823 0.1 1 80 12 18 ALA CB C 19.449 0.1 1 81 12 18 ALA N N 126.833 0.1 1 82 13 19 ARG H H 10.408 0.01 1 83 13 19 ARG C C 173.646 0.1 1 84 13 19 ARG CA C 56.248 0.1 1 85 13 19 ARG CB C 32.667 0.1 1 86 13 19 ARG N N 122.677 0.1 1 87 14 20 THR H H 9.491 0.01 1 88 14 20 THR C C 175.529 0.1 1 89 14 20 THR CA C 59.633 0.1 1 90 14 20 THR CB C 70.984 0.1 1 91 14 20 THR N N 116.311 0.1 1 92 15 21 GLU H H 8.681 0.01 1 93 15 21 GLU C C 173.472 0.1 1 94 15 21 GLU CA C 57.835 0.1 1 95 15 21 GLU CB C 29.720 0.1 1 96 15 21 GLU N N 118.279 0.1 1 97 16 22 ASP H H 8.125 0.01 1 98 16 22 ASP C C 174.899 0.1 1 99 16 22 ASP CA C 54.262 0.1 1 100 16 22 ASP CB C 42.568 0.1 1 101 16 22 ASP N N 116.338 0.1 1 102 17 23 ASP H H 8.263 0.01 1 103 17 23 ASP C C 175.169 0.1 1 104 17 23 ASP CA C 52.468 0.1 1 105 17 23 ASP CB C 42.436 0.1 1 106 17 23 ASP N N 119.496 0.1 1 107 18 24 LEU H H 8.157 0.01 1 108 18 24 LEU C C 173.860 0.1 1 109 18 24 LEU CA C 54.145 0.1 1 110 18 24 LEU CB C 44.194 0.1 1 111 18 24 LEU N N 120.375 0.1 1 112 19 25 SER H H 8.181 0.01 1 113 19 25 SER C C 176.541 0.1 1 114 19 25 SER CA C 58.349 0.1 1 115 19 25 SER CB C 64.659 0.1 1 116 19 25 SER N N 115.308 0.1 1 117 20 26 PHE H H 8.844 0.01 1 118 20 26 PHE C C 176.359 0.1 1 119 20 26 PHE CA C 56.265 0.1 1 120 20 26 PHE CB C 41.801 0.1 1 121 20 26 PHE N N 115.822 0.1 1 122 21 27 HIS H H 8.667 0.01 1 123 21 27 HIS C C 176.558 0.1 1 124 21 27 HIS CA C 53.514 0.1 1 125 21 27 HIS CB C 31.933 0.1 1 126 21 27 HIS N N 116.863 0.1 1 127 22 28 LYS H H 8.933 0.01 1 128 22 28 LYS C C 173.077 0.1 1 129 22 28 LYS CA C 58.658 0.1 1 130 22 28 LYS CB C 32.749 0.1 1 131 22 28 LYS N N 121.925 0.1 1 132 23 29 GLY H H 8.829 0.01 1 133 23 29 GLY C C 176.369 0.1 1 134 23 29 GLY CA C 44.875 0.1 1 135 23 29 GLY N N 115.580 0.1 1 136 24 30 GLU H H 8.176 0.01 1 137 24 30 GLU C C 175.974 0.1 1 138 24 30 GLU CA C 57.940 0.1 1 139 24 30 GLU CB C 30.840 0.1 1 140 24 30 GLU N N 123.819 0.1 1 141 25 31 LYS H H 8.135 0.01 1 142 25 31 LYS C C 174.756 0.1 1 143 25 31 LYS CA C 54.954 0.1 1 144 25 31 LYS CB C 35.556 0.1 1 145 25 31 LYS N N 121.432 0.1 1 146 26 32 PHE H H 9.193 0.01 1 147 26 32 PHE C C 175.341 0.1 1 148 26 32 PHE CA C 56.655 0.1 1 149 26 32 PHE CB C 43.424 0.1 1 150 26 32 PHE N N 118.076 0.1 1 151 27 33 GLN H H 9.099 0.01 1 152 27 33 GLN C C 174.396 0.1 1 153 27 33 GLN CA C 54.338 0.1 1 154 27 33 GLN CB C 30.478 0.1 1 155 27 33 GLN N N 121.007 0.1 1 156 28 34 ILE H H 9.117 0.01 1 157 28 34 ILE C C 174.595 0.1 1 158 28 34 ILE CA C 62.610 0.1 1 159 28 34 ILE CB C 37.810 0.1 1 160 28 34 ILE N N 126.953 0.1 1 161 29 35 LEU H H 9.039 0.01 1 162 29 35 LEU C C 172.980 0.1 1 163 29 35 LEU CA C 55.705 0.1 1 164 29 35 LEU CB C 41.546 0.1 1 165 29 35 LEU N N 129.586 0.1 1 166 30 36 ASN H H 8.018 0.01 1 167 30 36 ASN C C 176.186 0.1 1 168 30 36 ASN CA C 53.806 0.1 1 169 30 36 ASN CB C 40.466 0.1 1 170 30 36 ASN N N 115.546 0.1 1 171 31 37 SER H H 8.848 0.01 1 172 31 37 SER C C 176.039 0.1 1 173 31 37 SER CA C 56.902 0.1 1 174 31 37 SER CB C 61.994 0.1 1 175 31 37 SER N N 120.787 0.1 1 176 32 38 SER H H 8.038 0.01 1 177 32 38 SER C C 175.629 0.1 1 178 32 38 SER CA C 59.854 0.1 1 179 32 38 SER CB C 64.077 0.1 1 180 32 38 SER N N 117.212 0.1 1 181 33 39 GLU H H 8.727 0.01 1 182 33 39 GLU C C 173.627 0.1 1 183 33 39 GLU CA C 56.323 0.1 1 184 33 39 GLU CB C 29.920 0.1 1 185 33 39 GLU N N 121.766 0.1 1 186 34 40 GLY H H 8.399 0.01 1 187 34 40 GLY C C 176.243 0.1 1 188 34 40 GLY CA C 45.662 0.1 1 189 34 40 GLY N N 108.759 0.1 1 190 35 41 ASP H H 8.534 0.01 1 191 35 41 ASP C C 174.540 0.1 1 192 35 41 ASP CA C 55.628 0.1 1 193 35 41 ASP CB C 40.875 0.1 1 194 35 41 ASP N N 118.712 0.1 1 195 36 42 TRP H H 7.925 0.01 1 196 36 42 TRP C C 175.278 0.1 1 197 36 42 TRP CA C 55.648 0.1 1 198 36 42 TRP CB C 32.460 0.1 1 199 36 42 TRP N N 120.010 0.1 1 200 37 43 TRP H H 9.673 0.01 1 201 37 43 TRP C C 175.750 0.1 1 202 37 43 TRP CA C 54.069 0.1 1 203 37 43 TRP CB C 31.668 0.1 1 204 37 43 TRP N N 123.690 0.1 1 205 38 44 GLU H H 8.828 0.01 1 206 38 44 GLU C C 174.188 0.1 1 207 38 44 GLU CA C 55.295 0.1 1 208 38 44 GLU CB C 31.227 0.1 1 209 38 44 GLU N N 124.624 0.1 1 210 39 45 VAL H H 9.276 0.01 1 211 39 45 VAL C C 177.529 0.1 1 212 39 45 VAL CA C 59.351 0.1 1 213 39 45 VAL CB C 37.847 0.1 1 214 39 45 VAL N N 120.823 0.1 1 215 40 46 ARG H H 8.889 0.01 1 216 40 46 ARG C C 173.609 0.1 1 217 40 46 ARG CA C 53.929 0.1 1 218 40 46 ARG CB C 34.480 0.1 1 219 40 46 ARG N N 118.754 0.1 1 220 41 47 SER H H 9.017 0.01 1 221 41 47 SER C C 172.774 0.1 1 222 41 47 SER CA C 58.061 0.1 1 223 41 47 SER CB C 63.158 0.1 1 224 41 47 SER N N 120.280 0.1 1 225 42 48 LEU H H 8.847 0.01 1 226 42 48 LEU C C 172.184 0.1 1 227 42 48 LEU CA C 56.566 0.1 1 228 42 48 LEU CB C 40.575 0.1 1 229 42 48 LEU N N 130.485 0.1 1 230 43 49 THR H H 8.388 0.01 1 231 43 49 THR C C 174.313 0.1 1 232 43 49 THR CA C 65.392 0.1 1 233 43 49 THR CB C 69.234 0.1 1 234 43 49 THR N N 115.764 0.1 1 235 44 50 THR H H 8.154 0.01 1 236 44 50 THR C C 173.700 0.1 1 237 44 50 THR CA C 61.694 0.1 1 238 44 50 THR CB C 70.892 0.1 1 239 44 50 THR N N 108.686 0.1 1 240 45 51 GLY H H 7.846 0.01 1 241 45 51 GLY C C 176.618 0.1 1 242 45 51 GLY CA C 45.604 0.1 1 243 45 51 GLY N N 110.974 0.1 1 244 46 52 GLU H H 8.152 0.01 1 245 46 52 GLU C C 175.024 0.1 1 246 46 52 GLU CA C 56.826 0.1 1 247 46 52 GLU CB C 31.032 0.1 1 248 46 52 GLU N N 121.082 0.1 1 249 47 53 THR H H 8.527 0.01 1 250 47 53 THR C C 176.048 0.1 1 251 47 53 THR CA C 60.075 0.1 1 252 47 53 THR CB C 71.067 0.1 1 253 47 53 THR N N 114.367 0.1 1 254 48 54 GLY H H 8.662 0.01 1 255 48 54 GLY C C 170.26 0.1 1 256 48 54 GLY CA C 45.572 0.1 1 257 48 54 GLY N N 111.130 0.1 1 258 49 55 TYR H H 8.230 0.01 1 259 49 55 TYR C C 174.611 0.1 1 260 49 55 TYR CA C 56.833 0.1 1 261 49 55 TYR CB C 41.091 0.1 1 262 49 55 TYR N N 118.510 0.1 1 263 50 56 ILE H H 9.174 0.01 1 264 50 56 ILE CA C 58.018 0.1 1 265 50 56 ILE CB C 40.170 0.1 1 266 50 56 ILE N N 112.905 0.1 1 267 51 57 PRO C C 174.599 0.1 1 268 51 57 PRO CA C 61.922 0.1 1 269 51 57 PRO CB C 31.079 0.1 1 270 52 58 SER H H 7.260 0.01 1 271 52 58 SER CA C 54.245 0.1 1 272 52 58 SER CB C 63.336 0.1 1 273 52 58 SER N N 116.057 0.1 1 274 53 59 PRO C C 174.089 0.1 1 275 53 59 PRO CA C 63.252 0.1 1 276 53 59 PRO CB C 31.677 0.1 1 277 54 60 TYR H H 7.406 0.01 1 278 54 60 TYR C C 175.299 0.1 1 279 54 60 TYR CA C 56.256 0.1 1 280 54 60 TYR CB C 37.996 0.1 1 281 54 60 TYR N N 118.599 0.1 1 282 55 61 LEU H H 7.050 0.01 1 283 55 61 LEU CA C 57.061 0.1 1 284 55 61 LEU CB C 43.067 0.1 1 285 55 61 LEU N N 126.992 0.1 1 stop_ save_ save_RDC_list_1 _Saveframe_category residual_dipolar_couplings _Details . _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Text_data_format . _Text_data . loop_ _Sample_label $sample_1 stop_ loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value _Residual_dipolar_coupling_value_error DNH 7 SER N 7 SER H -1.2200 ? ? . . 0.1220 DNH 12 ALA N 12 ALA H -8.5980 ? ? . . 0.8600 DNH 13 LEU N 13 LEU H -3.3160 ? ? . . 0.3320 DNH 14 TYR N 14 TYR H -3.5270 ? ? . . 0.3530 DNH 15 ASP N 15 ASP H -0.4700 ? ? . . 0.0470 DNH 16 TYR N 16 TYR H 3.2300 ? ? . . 0.3230 DNH 17 GLU N 17 GLU H -1.5650 ? ? . . 0.1570 DNH 18 ALA N 18 ALA H -0.5590 ? ? . . 0.0560 DNH 21 GLU N 21 GLU H 1.1450 ? ? . . 0.1150 DNH 22 ASP N 22 ASP H 1.9850 ? ? . . 0.1990 DNH 23 ASP N 23 ASP H 10.9590 ? ? . . 1.0960 DNH 24 LEU N 24 LEU H -8.7900 ? ? . . 0.8790 DNH 25 SER N 25 SER H -7.5720 ? ? . . 0.7570 DNH 26 PHE N 26 PHE H 5.4880 ? ? . . 0.5490 DNH 27 HIS N 27 HIS H 8.0440 ? ? . . 0.8040 DNH 28 LYS N 28 LYS H 8.7750 ? ? . . 0.8780 DNH 30 GLU N 30 GLU H 13.4190 ? ? . . 1.3420 DNH 31 LYS N 31 LYS H -9.5480 ? ? . . 0.9550 DNH 32 PHE N 32 PHE H -10.2310 ? ? . . 1.0230 DNH 33 GLN N 33 GLN H -3.4980 ? ? . . 0.3500 DNH 35 LEU N 35 LEU H 10.9460 ? ? . . 1.0950 DNH 36 ASN N 36 ASN H 0.3440 ? ? . . 0.0340 DNH 37 SER N 37 SER H 7.3180 ? ? . . 0.7320 DNH 38 SER N 38 SER H -6.2540 ? ? . . 0.6250 DNH 39 GLU N 39 GLU H -5.8040 ? ? . . 0.5800 DNH 41 ASP N 41 ASP H 2.2740 ? ? . . 0.2270 DNH 42 TRP N 42 TRP H -4.7200 ? ? . . 0.4720 DNH 43 TRP N 43 TRP H -3.1120 ? ? . . 0.3110 DNH 44 GLU N 44 GLU H -3.8720 ? ? . . 0.3870 DNH 45 VAL N 45 VAL H 8.2130 ? ? . . 0.8210 DNH 46 ARG N 46 ARG H 2.1180 ? ? . . 0.2120 DNH 47 SER N 47 SER H 2.2940 ? ? . . 0.2290 DNH 48 LEU N 48 LEU H -7.1150 ? ? . . 0.7120 DNH 49 THR N 49 THR H 1.7470 ? ? . . 0.1750 DNH 50 THR N 50 THR H -7.9990 ? ? . . 0.8000 DNH 51 GLY N 51 GLY H -7.1260 ? ? . . 0.7130 DNH 52 GLU N 52 GLU H -3.8940 ? ? . . 0.3890 DNH 53 THR N 53 THR H -3.7830 ? ? . . 0.3780 DNH 54 GLY N 54 GLY H 3.8550 ? ? . . 0.3860 DNH 55 TYR N 55 TYR H 5.8930 ? ? . . 0.5890 DNH 56 ILE N 56 ILE H -0.2260 ? ? . . 0.0230 DNH 60 TYR N 60 TYR H -4.2070 ? ? . . 0.4210 DNH 61 LEU N 61 LEU H -6.7780 ? ? . . 0.6780 stop_ save_