data_4831 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Lysozyme ; _BMRB_accession_number 4831 _BMRB_flat_file_name bmr4831.str _Entry_type original _Submission_date 2000-09-15 _Accession_date 2000-09-15 _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 Schwalbe Harald . . 2 Grimshaw Shaun . . 3 Spencer Andrew . . 4 Buck Matthias . . 5 Boyd Jonathan . . 6 Dobson Christopher M . 7 Redfield Christina . . 8 Smith Lorna J . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 residual_dipolar_couplings 2 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 364 "15N chemical shifts" 147 "residual dipolar couplings" 209 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-05-01 original author . stop_ _Original_release_date 2001-05-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A Refined Solution Structure of Hen Lysozyme Determined Using Residual Dipolar Coupling Data ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11274458 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schwalbe Harald . . 2 Grimshaw Shaun . . 3 Spencer Andrew . . 4 Buck Matthias . . 5 Boyd Jonathan . . 6 Dobson Christopher M . 7 Redfield Christina . . 8 Smith Lorna J . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_name_full 'Protein Science' _Journal_volume 10 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 677 _Page_last 688 _Year 2001 _Details . loop_ _Keyword Lysozyme stop_ save_ ################################## # Molecular system description # ################################## save_system_HEWL _Saveframe_category molecular_system _Mol_system_name 'hen egg white lysozyme' _Abbreviation_common HEWL _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label lysozyme $lysozyme stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomeric _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_lysozyme _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'hen egg white lysozyme' _Abbreviation_common HEWL _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 129 _Mol_residue_sequence ; KVFGRCELAAAMKRHGLDNY RGYSLGNWVCAAKFESNFNT EATNRNTDGSTDYGILQINS RWWCNDGRTPGSRNLCNIPC SALLSSDITASVNCAKKIVS DGNGMNAWVAWRNRCKGTDV QAWIRGCRL ; loop_ _Residue_seq_code _Residue_label 1 LYS 2 VAL 3 PHE 4 GLY 5 ARG 6 CYS 7 GLU 8 LEU 9 ALA 10 ALA 11 ALA 12 MET 13 LYS 14 ARG 15 HIS 16 GLY 17 LEU 18 ASP 19 ASN 20 TYR 21 ARG 22 GLY 23 TYR 24 SER 25 LEU 26 GLY 27 ASN 28 TRP 29 VAL 30 CYS 31 ALA 32 ALA 33 LYS 34 PHE 35 GLU 36 SER 37 ASN 38 PHE 39 ASN 40 THR 41 GLU 42 ALA 43 THR 44 ASN 45 ARG 46 ASN 47 THR 48 ASP 49 GLY 50 SER 51 THR 52 ASP 53 TYR 54 GLY 55 ILE 56 LEU 57 GLN 58 ILE 59 ASN 60 SER 61 ARG 62 TRP 63 TRP 64 CYS 65 ASN 66 ASP 67 GLY 68 ARG 69 THR 70 PRO 71 GLY 72 SER 73 ARG 74 ASN 75 LEU 76 CYS 77 ASN 78 ILE 79 PRO 80 CYS 81 SER 82 ALA 83 LEU 84 LEU 85 SER 86 SER 87 ASP 88 ILE 89 THR 90 ALA 91 SER 92 VAL 93 ASN 94 CYS 95 ALA 96 LYS 97 LYS 98 ILE 99 VAL 100 SER 101 ASP 102 GLY 103 ASN 104 GLY 105 MET 106 ASN 107 ALA 108 TRP 109 VAL 110 ALA 111 TRP 112 ARG 113 ASN 114 ARG 115 CYS 116 LYS 117 GLY 118 THR 119 ASP 120 VAL 121 GLN 122 ALA 123 TRP 124 ILE 125 ARG 126 GLY 127 CYS 128 ARG 129 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 _Secretion $lysozyme hen 9031 Eukaryota Metazoa Gallus gallus 'hen egg white' 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 $lysozyme '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 $lysozyme 1.5 mM '[U-95% 13C; U-98% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type Bi-cell _Details ; dimyristoyl-phosphatidlycholine (DMPC) and dihexanoyl-phosphatidylcholine (DHPC), [DMPC]/[DHPC]=2.9, in 10mM phosphate buffer at pH 6.5 (93%/7% H2O/D2O) with a small amount of dioxane for 1H chemical shift referencing ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $lysozyme 0.5 mM [U-15N] DMPC/DHPC 5 % . phosphate 10 mM . H2O 93 % . D2O 7 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type Bi-cell _Details ; dimyristoyl-phosphatidlycholine (DMPC), dihexanoyl-phosphatidylcholine (DHPC) and cetyltrimethylammonium bromide (CTBA). DMPC]:[DHPC]:[CTAB] = 2.9:1.0:0.1, in 10mM phosphate buffer at pH 6.5 (93%/7% H2O/D2O) with a small amount of dioxane for 1H chemical shift referencing ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $lysozyme 0.5 mM [U-15N] DMPC/DHPC/CTAB 7.5 % . phosphate 10 mM . H2O 93 % . D2O 7 % . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 98 loop_ _Task Assignment stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Omega _Model . _Field_strength 750 _Details 'home built console' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Omega _Model . _Field_strength 600 _Details 'home built console' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Omega _Model . _Field_strength 500 _Details 'home built console' save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model . _Field_strength 800 _Details . save_ save_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model . _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_NOESY-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY-HSQC' _Sample_label . save_ save_1H-15N_TOCSY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY-HSQC' _Sample_label . save_ save_1H-15N_HSQC-NOESY-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC-NOESY-HSQC' _Sample_label . save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_CBCACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_CBCANH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HCCH-NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-NOESY _Sample_label . save_ save_SOFT_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'SOFT HCCH-COSY' _Sample_label . save_ save_SOFT_HCCH-E.COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name 'SOFT HCCH-E.COSY' _Sample_label . save_ save_HMQCJ_12 _Saveframe_category NMR_applied_experiment _Experiment_name HMQCJ _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 3.8 0.2 n/a temperature 308 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name lysozyme _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 C C 171.4 0.1 . 2 . 1 LYS CA C 55.5 0.1 . 3 . 1 LYS CB C 34.2 0.1 . 4 . 2 VAL C C 177.2 0.1 . 5 . 2 VAL CA C 61.7 0.1 . 6 . 2 VAL CB C 31.8 0.1 . 7 . 2 VAL N N 127.72 0.05 . 8 . 3 PHE C C 176.9 0.1 . 9 . 3 PHE CA C 59.2 0.1 . 10 . 3 PHE CB C 42.1 0.1 . 11 . 3 PHE N N 127.80 0.05 . 12 . 4 GLY C C 174.5 0.1 . 13 . 4 GLY CA C 44.4 0.1 . 14 . 4 GLY N N 104.86 0.05 . 15 . 5 ARG C C 177.4 0.1 . 16 . 5 ARG CA C 60.6 0.1 . 17 . 5 ARG CB C 31.0 0.1 . 18 . 5 ARG N N 122.92 0.05 . 19 . 6 CYS C C 177.8 0.1 . 20 . 6 CYS CA C 54.8 0.1 . 21 . 6 CYS CB C 33.7 0.1 . 22 . 6 CYS N N 114.84 0.05 . 23 . 7 GLU C C 179.7 0.1 . 24 . 7 GLU CA C 59.1 0.1 . 25 . 7 GLU CB C 29.5 0.1 . 26 . 7 GLU N N 125.30 0.05 . 27 . 8 LEU C C 178.2 0.1 . 28 . 8 LEU CA C 57.1 0.1 . 29 . 8 LEU CB C 40.2 0.1 . 30 . 8 LEU N N 120.56 0.05 . 31 . 9 ALA C C 178.5 0.1 . 32 . 9 ALA CA C 55.9 0.1 . 33 . 9 ALA CB C 19.1 0.1 . 34 . 9 ALA N N 121.56 0.05 . 35 . 10 ALA C C 179.9 0.1 . 36 . 10 ALA CA C 55.3 0.1 . 37 . 10 ALA CB C 18.2 0.1 . 38 . 10 ALA N N 118.40 0.05 . 39 . 11 ALA C C 180.9 0.1 . 40 . 11 ALA CA C 55.3 0.1 . 41 . 11 ALA CB C 18.3 0.1 . 42 . 11 ALA N N 121.56 0.05 . 43 . 12 MET C C 177.7 0.1 . 44 . 12 MET CA C 61.4 0.1 . 45 . 12 MET CB C 33.1 0.1 . 46 . 12 MET N N 118.66 0.05 . 47 . 13 LYS C C 180.8 0.1 . 48 . 13 LYS CA C 59.5 0.1 . 49 . 13 LYS CB C 32.6 0.1 . 50 . 13 LYS N N 122.06 0.05 . 51 . 14 ARG C C 177.2 0.1 . 52 . 14 ARG CA C 59.0 0.1 . 53 . 14 ARG CB C 29.7 0.1 . 54 . 14 ARG N N 120.14 0.05 . 55 . 15 HIS C C 174.2 0.1 . 56 . 15 HIS CA C 56.2 0.1 . 57 . 15 HIS CB C 28.8 0.1 . 58 . 15 HIS N N 112.48 0.05 . 59 . 16 GLY C C 175.8 0.1 . 60 . 16 GLY CA C 47.6 0.1 . 61 . 16 GLY N N 106.14 0.05 . 62 . 17 LEU C C 177.5 0.1 . 63 . 17 LEU CA C 55.2 0.1 . 64 . 17 LEU CB C 41.2 0.1 . 65 . 17 LEU N N 115.24 0.05 . 66 . 18 ASP C C 176.8 0.1 . 67 . 18 ASP CA C 56.4 0.1 . 68 . 18 ASP CB C 41.2 0.1 . 69 . 18 ASP N N 117.92 0.05 . 70 . 19 ASN C C 177.0 0.1 . 71 . 19 ASN CA C 55.2 0.1 . 72 . 19 ASN CB C 37.2 0.1 . 73 . 19 ASN N N 123.18 0.05 . 74 . 19 ASN ND2 N 111.55 0.05 . 75 . 20 TYR C C 176.9 0.1 . 76 . 20 TYR CA C 62.0 0.1 . 77 . 20 TYR CB C 38.5 0.1 . 78 . 20 TYR N N 125.30 0.05 . 79 . 21 ARG C C 174.9 0.1 . 80 . 21 ARG CA C 56.3 0.1 . 81 . 21 ARG CB C 27.5 0.1 . 82 . 21 ARG N N 126.10 0.05 . 83 . 22 GLY C C 174.7 0.1 . 84 . 22 GLY CA C 45.2 0.1 . 85 . 22 GLY N N 101.88 0.05 . 86 . 23 TYR C C 176.5 0.1 . 87 . 23 TYR CA C 58.4 0.1 . 88 . 23 TYR CB C 38.8 0.1 . 89 . 23 TYR N N 119.20 0.05 . 90 . 24 SER C C 176.3 0.1 . 91 . 24 SER CA C 59.0 0.1 . 92 . 24 SER CB C 64.3 0.1 . 93 . 24 SER N N 121.96 0.05 . 94 . 25 LEU C C 178.0 0.1 . 95 . 25 LEU CA C 58.8 0.1 . 96 . 25 LEU CB C 43.6 0.1 . 97 . 25 LEU N N 121.68 0.05 . 98 . 26 GLY C C 176.0 0.1 . 99 . 26 GLY CA C 48.3 0.1 . 100 . 26 GLY N N 105.02 0.05 . 101 . 27 ASN C C 176.2 0.1 . 102 . 27 ASN CA C 59.1 0.1 . 103 . 27 ASN N N 117.00 0.05 . 104 . 27 ASN ND2 N 117.73 0.05 . 105 . 28 TRP C C 177.6 0.1 . 106 . 28 TRP CA C 59.1 0.1 . 107 . 28 TRP CB C 29.6 0.1 . 108 . 28 TRP N N 120.26 0.05 . 109 . 28 TRP NE1 N 129.28 0.05 . 110 . 29 VAL C C 177.2 0.1 . 111 . 29 VAL CA C 66.9 0.1 . 112 . 29 VAL CB C 31.7 0.1 . 113 . 29 VAL N N 118.78 0.05 . 114 . 30 CYS C C 175.5 0.1 . 115 . 30 CYS CA C 60.2 0.1 . 116 . 30 CYS CB C 42.2 0.1 . 117 . 30 CYS N N 118.42 0.05 . 118 . 31 ALA C C 178.3 0.1 . 119 . 31 ALA CA C 55.7 0.1 . 120 . 31 ALA CB C 17.4 0.1 . 121 . 31 ALA N N 119.06 0.05 . 122 . 32 ALA C C 179.2 0.1 . 123 . 32 ALA CA C 55.1 0.1 . 124 . 32 ALA CB C 19.2 0.1 . 125 . 32 ALA N N 117.18 0.05 . 126 . 33 LYS C C 178.8 0.1 . 127 . 33 LYS CA C 58.8 0.1 . 128 . 33 LYS CB C 29.7 0.1 . 129 . 33 LYS N N 119.82 0.05 . 130 . 34 PHE C C 177.0 0.1 . 131 . 34 PHE CA C 61.1 0.1 . 132 . 34 PHE CB C 39.5 0.1 . 133 . 34 PHE N N 114.28 0.05 . 134 . 35 GLU C C 176.6 0.1 . 135 . 35 GLU CA C 58.1 0.1 . 136 . 35 GLU CB C 27.4 0.1 . 137 . 35 GLU N N 116.98 0.05 . 138 . 36 SER C C 177.0 0.1 . 139 . 36 SER CA C 58.3 0.1 . 140 . 36 SER CB C 67.4 0.1 . 141 . 36 SER N N 108.64 0.05 . 142 . 37 ASN C C 174.8 0.1 . 143 . 37 ASN CA C 54.4 0.1 . 144 . 37 ASN CB C 37.9 0.1 . 145 . 37 ASN N N 125.66 0.05 . 146 . 37 ASN ND2 N 110.32 0.05 . 147 . 38 PHE C C 173.2 0.1 . 148 . 38 PHE CA C 56.9 0.1 . 149 . 38 PHE CB C 37.7 0.1 . 150 . 38 PHE N N 105.04 0.05 . 151 . 39 ASN C C 176.9 0.1 . 152 . 39 ASN CA C 52.1 0.1 . 153 . 39 ASN CB C 39.7 0.1 . 154 . 39 ASN N N 117.72 0.05 . 155 . 39 ASN ND2 N 111.89 0.05 . 156 . 40 THR C C 175.4 0.1 . 157 . 40 THR CA C 64.6 0.1 . 158 . 40 THR CB C 69.8 0.1 . 159 . 40 THR N N 115.18 0.05 . 160 . 41 GLU C C 175.5 0.1 . 161 . 41 GLU CA C 54.9 0.1 . 162 . 41 GLU CB C 29.1 0.1 . 163 . 41 GLU N N 115.70 0.05 . 164 . 42 ALA C C 176.9 0.1 . 165 . 42 ALA CA C 53.7 0.1 . 166 . 42 ALA CB C 19.4 0.1 . 167 . 42 ALA N N 122.34 0.05 . 168 . 43 THR C C 175.2 0.1 . 169 . 43 THR CA C 60.4 0.1 . 170 . 43 THR CB C 73.2 0.1 . 171 . 43 THR N N 114.84 0.05 . 172 . 44 ASN C C 173.1 0.1 . 173 . 44 ASN CA C 53.1 0.1 . 174 . 44 ASN CB C 43.1 0.1 . 175 . 44 ASN N N 119.80 0.05 . 176 . 44 ASN ND2 N 111.13 0.05 . 177 . 45 ARG C C 175.5 0.1 . 178 . 45 ARG CA C 56.4 0.1 . 179 . 45 ARG CB C 30.7 0.1 . 180 . 45 ARG N N 126.20 0.05 . 181 . 46 ASN C C 177.4 0.1 . 182 . 46 ASN CA C 52.8 0.1 . 183 . 46 ASN CB C 41.1 0.1 . 184 . 46 ASN N N 121.68 0.05 . 185 . 46 ASN ND2 N 113.52 0.05 . 186 . 47 THR C C 175.1 0.1 . 187 . 47 THR CA C 64.8 0.1 . 188 . 47 THR CB C 69.1 0.1 . 189 . 47 THR N N 114.10 0.05 . 190 . 48 ASP C C 177.2 0.1 . 191 . 48 ASP CA C 53.7 0.1 . 192 . 48 ASP CB C 40.1 0.1 . 193 . 48 ASP N N 118.22 0.05 . 194 . 49 GLY C C 174.0 0.1 . 195 . 49 GLY CA C 45.4 0.1 . 196 . 49 GLY N N 107.80 0.05 . 197 . 50 SER C C 172.2 0.1 . 198 . 50 SER CA C 58.1 0.1 . 199 . 50 SER CB C 66.2 0.1 . 200 . 50 SER N N 116.14 0.05 . 201 . 51 THR C C 171.4 0.1 . 202 . 51 THR CA C 62.6 0.1 . 203 . 51 THR CB C 72.2 0.1 . 204 . 51 THR N N 117.60 0.05 . 205 . 52 ASP C C 176.1 0.1 . 206 . 52 ASP CA C 52.6 0.1 . 207 . 52 ASP CB C 42.2 0.1 . 208 . 52 ASP N N 124.22 0.05 . 209 . 53 TYR C C 178.2 0.1 . 210 . 53 TYR CA C 59.7 0.1 . 211 . 53 TYR CB C 43.0 0.1 . 212 . 53 TYR N N 118.58 0.05 . 213 . 54 GLY C C 176.9 0.1 . 214 . 54 GLY CA C 46.6 0.1 . 215 . 54 GLY N N 111.60 0.05 . 216 . 55 ILE C C 175.5 0.1 . 217 . 55 ILE CA C 61.6 0.1 . 218 . 55 ILE CB C 40.2 0.1 . 219 . 55 ILE N N 121.02 0.05 . 220 . 56 LEU C C 174.3 0.1 . 221 . 56 LEU CA C 53.2 0.1 . 222 . 56 LEU CB C 42.5 0.1 . 223 . 56 LEU N N 119.04 0.05 . 224 . 57 GLN C C 173.2 0.1 . 225 . 57 GLN CA C 55.3 0.1 . 226 . 57 GLN N N 114.70 0.05 . 227 . 57 GLN NE2 N 115.36 0.05 . 228 . 58 ILE C C 177.4 0.1 . 229 . 58 ILE CA C 62.8 0.1 . 230 . 58 ILE CB C 32.6 0.1 . 231 . 58 ILE N N 121.10 0.05 . 232 . 59 ASN C C 177.6 0.1 . 233 . 59 ASN CA C 56.6 0.1 . 234 . 59 ASN CB C 44.2 0.1 . 235 . 59 ASN N N 127.22 0.05 . 236 . 59 ASN ND2 N 114.74 0.05 . 237 . 60 SER C C 175.0 0.1 . 238 . 60 SER CA C 61.1 0.1 . 239 . 60 SER CB C 65.4 0.1 . 240 . 60 SER N N 119.56 0.05 . 241 . 61 ARG C C 177.1 0.1 . 242 . 61 ARG CA C 58.6 0.1 . 243 . 61 ARG N N 123.26 0.05 . 244 . 62 TRP C C 177.2 0.1 . 245 . 62 TRP CA C 57.6 0.1 . 246 . 62 TRP N N 114.46 0.05 . 247 . 62 TRP NE1 N 128.90 0.05 . 248 . 63 TRP C C 175.0 0.1 . 249 . 63 TRP CA C 59.0 0.1 . 250 . 63 TRP N N 114.34 0.05 . 251 . 63 TRP NE1 N 127.74 0.05 . 252 . 64 CYS C C 172.1 0.1 . 253 . 64 CYS CA C 53.1 0.1 . 254 . 64 CYS CB C 46.0 0.1 . 255 . 64 CYS N N 111.72 0.05 . 256 . 65 ASN C C 176.6 0.1 . 257 . 65 ASN CA C 51.5 0.1 . 258 . 65 ASN CB C 40.7 0.1 . 259 . 65 ASN N N 117.94 0.05 . 260 . 65 ASN ND2 N 113.21 0.05 . 261 . 66 ASP C C 171.9 0.1 . 262 . 66 ASP CA C 52.3 0.1 . 263 . 66 ASP CB C 40.9 0.1 . 264 . 66 ASP N N 129.88 0.05 . 265 . 67 GLY C C 174.3 0.1 . 266 . 67 GLY CA C 46.7 0.1 . 267 . 67 GLY N N 108.70 0.05 . 268 . 68 ARG C C 175.2 0.1 . 269 . 68 ARG CA C 55.3 0.1 . 270 . 68 ARG CB C 31.7 0.1 . 271 . 68 ARG N N 117.24 0.05 . 272 . 69 THR CA C 60.3 0.1 . 273 . 69 THR CB C 70.2 0.1 . 274 . 69 THR N N 119.50 0.05 . 275 . 70 PRO C C 177.4 0.1 . 276 . 70 PRO CA C 63.5 0.1 . 277 . 70 PRO CB C 31.7 0.1 . 278 . 71 GLY C C 174.3 0.1 . 279 . 71 GLY CA C 46.1 0.1 . 280 . 71 GLY N N 110.44 0.05 . 281 . 72 SER C C 176.7 0.1 . 282 . 72 SER CA C 58.4 0.1 . 283 . 72 SER CB C 64.1 0.1 . 284 . 72 SER N N 112.04 0.05 . 285 . 73 ARG C C 176.4 0.1 . 286 . 73 ARG CA C 55.9 0.1 . 287 . 73 ARG N N 124.20 0.05 . 288 . 74 ASN C C 177.3 0.1 . 289 . 74 ASN CA C 52.5 0.1 . 290 . 74 ASN CB C 37.6 0.1 . 291 . 74 ASN N N 115.28 0.05 . 292 . 74 ASN ND2 N 105.24 0.05 . 293 . 75 LEU C C 180.3 0.1 . 294 . 75 LEU CA C 58.6 0.1 . 295 . 75 LEU CB C 41.9 0.1 . 296 . 75 LEU N N 118.40 0.05 . 297 . 76 CYS C C 173.2 0.1 . 298 . 76 CYS CA C 56.1 0.1 . 299 . 76 CYS CB C 40.0 0.1 . 300 . 76 CYS N N 113.14 0.05 . 301 . 77 ASN C C 173.5 0.1 . 302 . 77 ASN CA C 53.7 0.1 . 303 . 77 ASN CB C 37.0 0.1 . 304 . 77 ASN N N 120.28 0.05 . 305 . 77 ASN ND2 N 111.59 0.05 . 306 . 78 ILE CA C 56.9 0.1 . 307 . 78 ILE CB C 42.9 0.1 . 308 . 78 ILE N N 116.90 0.05 . 309 . 79 PRO C C 179.3 0.1 . 310 . 79 PRO CA C 61.3 0.1 . 311 . 79 PRO CB C 31.3 0.1 . 312 . 80 CYS C C 176.5 0.1 . 313 . 80 CYS CA C 57.0 0.1 . 314 . 80 CYS CB C 37.8 0.1 . 315 . 80 CYS N N 123.08 0.05 . 316 . 81 SER C C 177.3 0.1 . 317 . 81 SER CA C 61.1 0.1 . 318 . 81 SER CB C 64 0.1 . 319 . 81 SER N N 112.96 0.05 . 320 . 82 ALA C C 179.2 0.1 . 321 . 82 ALA CA C 54.2 0.1 . 322 . 82 ALA CB C 18.3 0.1 . 323 . 82 ALA N N 125.10 0.05 . 324 . 83 LEU C C 176.3 0.1 . 325 . 83 LEU CA C 54.5 0.1 . 326 . 83 LEU CB C 40.3 0.1 . 327 . 83 LEU N N 114.74 0.05 . 328 . 84 LEU C C 176.4 0.1 . 329 . 84 LEU CA C 53.3 0.1 . 330 . 84 LEU CB C 41.4 0.1 . 331 . 84 LEU N N 118.04 0.05 . 332 . 85 SER C C 174.0 0.1 . 333 . 85 SER CA C 57.3 0.1 . 334 . 85 SER CB C 64.4 0.1 . 335 . 85 SER N N 112.94 0.05 . 336 . 86 SER C C 173.7 0.1 . 337 . 86 SER CA C 60.9 0.1 . 338 . 86 SER CB C 63.4 0.1 . 339 . 86 SER N N 118.36 0.05 . 340 . 87 ASP C C 177.8 0.1 . 341 . 87 ASP CA C 52.8 0.1 . 342 . 87 ASP CB C 41.7 0.1 . 343 . 87 ASP N N 120.12 0.05 . 344 . 88 ILE C C 175.8 0.1 . 345 . 88 ILE CA C 62.2 0.1 . 346 . 88 ILE CB C 38.6 0.1 . 347 . 88 ILE N N 118.28 0.05 . 348 . 89 THR C C 175.2 0.1 . 349 . 89 THR CA C 69.0 0.1 . 350 . 89 THR CB C 68.3 0.1 . 351 . 89 THR N N 119.92 0.05 . 352 . 90 ALA C C 180.9 0.1 . 353 . 90 ALA CA C 56.0 0.1 . 354 . 90 ALA CB C 17.8 0.1 . 355 . 90 ALA N N 121.86 0.05 . 356 . 91 SER C C 175.3 0.1 . 357 . 91 SER CA C 63.7 0.1 . 358 . 91 SER CB C 63.2 0.1 . 359 . 91 SER N N 115.08 0.05 . 360 . 92 VAL C C 176.7 0.1 . 361 . 92 VAL CA C 67.0 0.1 . 362 . 92 VAL CB C 30.4 0.1 . 363 . 92 VAL N N 120.60 0.05 . 364 . 93 ASN C C 178.6 0.1 . 365 . 93 ASN CA C 56.1 0.1 . 366 . 93 ASN CB C 36.9 0.1 . 367 . 93 ASN N N 118.38 0.05 . 368 . 93 ASN ND2 N 111.26 0.05 . 369 . 94 CYS C C 175.4 0.1 . 370 . 94 CYS CA C 55.9 0.1 . 371 . 94 CYS CB C 34.5 0.1 . 372 . 94 CYS N N 117.34 0.05 . 373 . 95 ALA C C 179.0 0.1 . 374 . 95 ALA CA C 55.8 0.1 . 375 . 95 ALA CB C 18.5 0.1 . 376 . 95 ALA N N 122.90 0.05 . 377 . 96 LYS C C 178.8 0.1 . 378 . 96 LYS CA C 60.4 0.1 . 379 . 96 LYS CB C 32.8 0.1 . 380 . 96 LYS N N 114.98 0.05 . 381 . 97 LYS C C 178.7 0.1 . 382 . 97 LYS CA C 59.5 0.1 . 383 . 97 LYS CB C 31.9 0.1 . 384 . 97 LYS N N 120.98 0.05 . 385 . 98 ILE C C 179.4 0.1 . 386 . 98 ILE CA C 65.5 0.1 . 387 . 98 ILE CB C 37.4 0.1 . 388 . 98 ILE N N 121.12 0.05 . 389 . 99 VAL C C 176.2 0.1 . 390 . 99 VAL CA C 63.9 0.1 . 391 . 99 VAL CB C 32.2 0.1 . 392 . 99 VAL N N 116.14 0.05 . 393 . 100 SER C C 174.6 0.1 . 394 . 100 SER CA C 60.4 0.1 . 395 . 100 SER CB C 63.8 0.1 . 396 . 100 SER N N 115.38 0.05 . 397 . 101 ASP C C 176.5 0.1 . 398 . 101 ASP CA C 54.5 0.1 . 399 . 101 ASP CB C 40.6 0.1 . 400 . 101 ASP N N 119.98 0.05 . 401 . 102 GLY C C 174.6 0.1 . 402 . 102 GLY CA C 46.2 0.1 . 403 . 102 GLY N N 107.36 0.05 . 404 . 103 ASN C C 176.3 0.1 . 405 . 103 ASN CA C 52.8 0.1 . 406 . 103 ASN CB C 38.7 0.1 . 407 . 103 ASN N N 117.94 0.05 . 408 . 103 ASN ND2 N 112.48 0.05 . 409 . 104 GLY C C 175.0 0.1 . 410 . 104 GLY CA C 46.9 0.1 . 411 . 104 GLY N N 107.62 0.05 . 412 . 105 MET C C 175.1 0.1 . 413 . 105 MET CA C 57.8 0.1 . 414 . 105 MET CB C 39.6 0.1 . 415 . 105 MET N N 119.22 0.05 . 416 . 106 ASN C C 174.4 0.1 . 417 . 106 ASN CA C 56.1 0.1 . 418 . 106 ASN CB C 38.7 0.1 . 419 . 106 ASN N N 114.68 0.05 . 420 . 106 ASN ND2 N 113.81 0.05 . 421 . 107 ALA C C 177.6 0.1 . 422 . 107 ALA CA C 53.9 0.1 . 423 . 107 ALA CB C 18.5 0.1 . 424 . 107 ALA N N 118.66 0.05 . 425 . 108 TRP C C 176.5 0.1 . 426 . 108 TRP CA C 60.2 0.1 . 427 . 108 TRP CB C 28.1 0.1 . 428 . 108 TRP N N 117.98 0.05 . 429 . 108 TRP NE1 N 129.67 0.05 . 430 . 109 VAL C C 176.4 0.1 . 431 . 109 VAL CA C 66.6 0.1 . 432 . 109 VAL CB C 31.2 0.1 . 433 . 109 VAL N N 128.44 0.05 . 434 . 110 ALA C C 180.7 0.1 . 435 . 110 ALA CA C 55.1 0.1 . 436 . 110 ALA CB C 19.0 0.1 . 437 . 110 ALA N N 118.50 0.05 . 438 . 111 TRP C C 178.5 0.1 . 439 . 111 TRP CA C 61.9 0.1 . 440 . 111 TRP CB C 28.3 0.1 . 441 . 111 TRP N N 114.70 0.05 . 442 . 111 TRP NE1 N 129.68 0.05 . 443 . 112 ARG C C 177.1 0.1 . 444 . 112 ARG CA C 60.1 0.1 . 445 . 112 ARG CB C 30.6 0.1 . 446 . 112 ARG N N 121.30 0.05 . 447 . 113 ASN C C 177.0 0.1 . 448 . 113 ASN CA C 54.7 0.1 . 449 . 113 ASN CB C 39.0 0.1 . 450 . 113 ASN N N 112.64 0.05 . 451 . 113 ASN ND2 N 114.62 0.05 . 452 . 114 ARG C C 175.7 0.1 . 453 . 114 ARG CA C 54.8 0.1 . 454 . 114 ARG CB C 31.4 0.1 . 455 . 114 ARG N N 113.90 0.05 . 456 . 115 CYS C C 175.3 0.1 . 457 . 115 CYS CA C 54.9 0.1 . 458 . 115 CYS CB C 45.5 0.1 . 459 . 115 CYS N N 113.34 0.05 . 460 . 116 LYS C C 176.9 0.1 . 461 . 116 LYS CA C 58.3 0.1 . 462 . 116 LYS CB C 31.5 0.1 . 463 . 116 LYS N N 123.84 0.05 . 464 . 117 GLY C C 174.4 0.1 . 465 . 117 GLY CA C 45.9 0.1 . 466 . 117 GLY N N 114.32 0.05 . 467 . 118 THR C C 174.7 0.1 . 468 . 118 THR CA C 60.4 0.1 . 469 . 118 THR CB C 72.3 0.1 . 470 . 118 THR N N 109.92 0.05 . 471 . 119 ASP C C 178.1 0.1 . 472 . 119 ASP CA C 52.8 0.1 . 473 . 119 ASP N N 117.88 0.05 . 474 . 120 VAL C C 177.8 0.1 . 475 . 120 VAL CA C 64.4 0.1 . 476 . 120 VAL CB C 31.5 0.1 . 477 . 120 VAL N N 120.32 0.05 . 478 . 121 GLN C C 178.6 0.1 . 479 . 121 GLN CA C 58.0 0.1 . 480 . 121 GLN CB C 27.9 0.1 . 481 . 121 GLN N N 121.00 0.05 . 482 . 122 ALA C C 179.8 0.1 . 483 . 122 ALA CA C 55.1 0.1 . 484 . 122 ALA CB C 18.5 0.1 . 485 . 122 ALA N N 121.82 0.05 . 486 . 123 TRP C C 177.5 0.1 . 487 . 123 TRP CA C 60.1 0.1 . 488 . 123 TRP CB C 28.6 0.1 . 489 . 123 TRP N N 114.20 0.05 . 490 . 123 TRP NE1 N 129.53 0.05 . 491 . 124 ILE C C 175.9 0.1 . 492 . 124 ILE CA C 59.9 0.1 . 493 . 124 ILE CB C 38.5 0.1 . 494 . 124 ILE N N 108.60 0.05 . 495 . 125 ARG C C 177.5 0.1 . 496 . 125 ARG CA C 58.4 0.1 . 497 . 125 ARG CB C 30.1 0.1 . 498 . 125 ARG N N 125.34 0.05 . 499 . 126 GLY C C 174.5 0.1 . 500 . 126 GLY CA C 45.6 0.1 . 501 . 126 GLY N N 113.54 0.05 . 502 . 127 CYS C C 174.6 0.1 . 503 . 127 CYS CA C 55.6 0.1 . 504 . 127 CYS CB C 34.7 0.1 . 505 . 127 CYS N N 116.16 0.05 . 506 . 128 ARG CA C 56.4 0.1 . 507 . 128 ARG CB C 28.7 0.1 . 508 . 128 ARG N N 125.40 0.05 . 509 . 129 LEU CA C 55.6 0.1 . 510 . 129 LEU CB C 43.9 0.1 . 511 . 129 LEU N N 129.94 0.05 . stop_ save_ save_residual_dipolar_couplings_1 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $sample_2 stop_ _Details . _Sample_conditions_label $ex-cond_1 _Spectrometer_frequency_1H . _Text_data_format . _Text_data . 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 1DHN 2 VAL H 2 VAL N -16.4 ? ? . . . 1DHN 3 PHE H 3 PHE N 2.5 ? ? . . . 1DHN 4 GLY H 4 GLY N -9.7 ? ? . . . 1DHN 6 CYS H 6 CYS N -18.0 ? ? . . . 1DHN 7 GLU H 7 GLU N -18.4 ? ? . . . 1DHN 8 LEU H 8 LEU N -16.7 ? ? . . . 1DHN 9 ALA H 9 ALA N -16.3 ? ? . . . 1DHN 10 ALA H 10 ALA N -22.3 ? ? . . . 1DHN 12 MET H 12 MET N -14.9 ? ? . . . 1DHN 14 ARG H 14 ARG N -23.0 ? ? . . . 1DHN 15 HIS H 15 HIS N -19.0 ? ? . . . 1DHN 16 GLY H 16 GLY N 9.9 ? ? . . . 1DHN 17 LEU H 17 LEU N -20.1 ? ? . . . 1DHN 18 ASP H 18 ASP N -9.6 ? ? . . . 1DHN 19 ASN H 19 ASN N -10.2 ? ? . . . 1DHN 20 TYR H 20 TYR N -22.3 ? ? . . . 1DHN 21 ARG H 21 ARG N -9.0 ? ? . . . 1DHN 22 GLY H 22 GLY N -6.1 ? ? . . . 1DHN 23 TYR H 23 TYR N 6.3 ? ? . . . 1DHN 25 LEU H 25 LEU N 9.312 ? ? . . . 1DHN 26 GLY H 26 GLY N 16.1 ? ? . . . 1DHN 27 ASN H 27 ASN N -8.1 ? ? . . . 1DHN 28 TRP H 28 TRP N 14.3 ? ? . . . 1DHN 29 VAL H 29 VAL N 15.1 ? ? . . . 1DHN 30 CYS H 30 CYS N -1.7 ? ? . . . 1DHN 31 ALA H 31 ALA N -5.4 ? ? . . . 1DHN 32 ALA H 32 ALA N 13.1 ? ? . . . 1DHN 33 LYS H 33 LYS N 7.6 ? ? . . . 1DHN 34 PHE H 34 PHE N -5.5 ? ? . . . 1DHN 35 GLU H 35 GLU N 9.5 ? ? . . . 1DHN 36 SER H 36 SER N 18.8 ? ? . . . 1DHN 37 ASN H 37 ASN N -14.8 ? ? . . . 1DHN 38 PHE H 38 PHE N -14.9 ? ? . . . 1DHN 39 ASN H 39 ASN N -7.7 ? ? . . . 1DHN 40 THR H 40 THR N -0.8 ? ? . . . 1DHN 41 GLU H 41 GLU N 2.6 ? ? . . . 1DHN 42 ALA H 42 ALA N 24.7 ? ? . . . 1DHN 43 THR H 43 THR N -23.0 ? ? . . . 1DHN 44 ASN H 44 ASN N -21.1 ? ? . . . 1DHN 45 ARG H 45 ARG N -22.0 ? ? . . . 1DHN 46 ASN H 46 ASN N -9.0 ? ? . . . 1DHN 49 GLY H 49 GLY N -4.3 ? ? . . . 1DHN 50 SER H 50 SER N -8.8 ? ? . . . 1DHN 51 THR H 51 THR N -17.6 ? ? . . . 1DHN 52 ASP H 52 ASP N -20.0 ? ? . . . 1DHN 54 GLY H 54 GLY N -10.6 ? ? . . . 1DHN 55 ILE H 55 ILE N -10.8 ? ? . . . 1DHN 56 LEU H 56 LEU N 4.6 ? ? . . . 1DHN 57 GLN H 57 GLN N -17.6 ? ? . . . 1DHN 58 ILE H 58 ILE N -13.9 ? ? . . . 1DHN 59 ASN H 59 ASN N 1.7 ? ? . . . 1DHN 60 SER H 60 SER N -24.4 ? ? . . . 1DHN 61 ARG H 61 ARG N 6.3 ? ? . . . 1DHN 62 TRP H 62 TRP N -4.8 ? ? . . . 1DHN 63 TRP H 63 TRP N -18.5 ? ? . . . 1DHN 64 CYS H 64 CYS N -4.4 ? ? . . . 1DHN 65 ASN H 65 ASN N 2.0 ? ? . . . 1DHN 66 ASP H 66 ASP N -7.7 ? ? . . . 1DHN 67 GLY H 67 GLY N -15.9 ? ? . . . 1DHN 68 ARG H 68 ARG N 29.7 ? ? . . . 1DHN 69 THR H 69 THR N -6.7 ? ? . . . 1DHN 72 SER H 72 SER N 0.6 ? ? . . . 1DHN 73 ARG H 73 ARG N -2.2 ? ? . . . 1DHN 74 ASN H 74 ASN N -16.0 ? ? . . . 1DHN 76 CYS H 76 CYS N -7.4 ? ? . . . 1DHN 77 ASN H 77 ASN N 1.9 ? ? . . . 1DHN 78 ILE H 78 ILE N -3.3 ? ? . . . 1DHN 80 CYS H 80 CYS N 27.1 ? ? . . . 1DHN 81 SER H 81 SER N 24.0 ? ? . . . 1DHN 82 ALA H 82 ALA N -0.5 ? ? . . . 1DHN 83 LEU H 83 LEU N 29.1 ? ? . . . 1DHN 84 LEU H 84 LEU N 14.4 ? ? . . . 1DHN 85 SER H 85 SER N -14.5 ? ? . . . 1DHN 87 ASP H 87 ASP N 27.9 ? ? . . . 1DHN 88 ILE H 88 ILE N 25.0 ? ? . . . 1DHN 89 THR H 89 THR N -12.7 ? ? . . . 1DHN 90 ALA H 90 ALA N -18.5 ? ? . . . 1DHN 91 SER H 91 SER N -13.1 ? ? . . . 1DHN 92 VAL H 92 VAL N -14.0 ? ? . . . 1DHN 93 ASN H 93 ASN N -16.0 ? ? . . . 1DHN 94 CYS H 94 CYS N -20.4 ? ? . . . 1DHN 95 ALA H 95 ALA N -17.5 ? ? . . . 1DHN 96 LYS H 96 LYS N -14.0 ? ? . . . 1DHN 97 LYS H 97 LYS N -17.0 ? ? . . . 1DHN 99 VAL H 99 VAL N -14.7 ? ? . . . 1DHN 100 SER H 100 SER N -5.8 ? ? . . . 1DHN 101 ASP H 101 ASP N -22.9 ? ? . . . 1DHN 102 GLY H 102 GLY N 4.6 ? ? . . . 1DHN 104 GLY H 104 GLY N -10.1 ? ? . . . 1DHN 105 MET H 105 MET N 11.7 ? ? . . . 1DHN 106 ASN H 106 ASN N -20.5 ? ? . . . 1DHN 107 ALA H 107 ALA N -1.1 ? ? . . . 1DHN 108 TRP H 108 TRP N 12.6 ? ? . . . 1DHN 109 VAL H 109 VAL N 19.0 ? ? . . . 1DHN 111 TRP H 111 TRP N 15.1 ? ? . . . 1DHN 112 ARG H 112 ARG N 23.8 ? ? . . . 1DHN 113 ASN H 113 ASN N 11.5 ? ? . . . 1DHN 114 ARG H 114 ARG N 3.6 ? ? . . . 1DHN 115 CYS H 115 CYS N 18.5 ? ? . . . 1DHN 116 LYS H 116 LYS N 31.5 ? ? . . . 1DHN 118 THR H 118 THR N 8.4 ? ? . . . 1DHN 120 VAL H 120 VAL N -19.6 ? ? . . . 1DHN 123 TRP H 123 TRP N -18.3 ? ? . . . 1DHN 124 ILE H 124 ILE N -8.9 ? ? . . . 1DHN 125 ARG H 125 ARG N 2.4 ? ? . . . 1DHN 127 CYS H 127 CYS N -13.0 ? ? . . . 1DHN 129 LEU H 129 LEU N 10.8 ? ? . . . stop_ save_ save_residual_dipolar_couplings_2 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $sample_3 stop_ _Details . _Sample_conditions_label $ex-cond_1 _Spectrometer_frequency_1H . _Text_data_format . _Text_data . 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 1DHN 2 VAL H 2 VAL N -7.0 ? ? . . . 1DHN 3 PHE H 3 PHE N 8.0 ? ? . . . 1DHN 4 GLY H 4 GLY N -13.5 ? ? . . . 1DHN 6 CYS H 6 CYS N -5.5 ? ? . . . 1DHN 7 GLU H 7 GLU N -14.5 ? ? . . . 1DHN 8 LEU H 8 LEU N -14.4 ? ? . . . 1DHN 9 ALA H 9 ALA N -7.8 ? ? . . . 1DHN 10 ALA H 10 ALA N -11.8 ? ? . . . 1DHN 12 MET H 12 MET N -8.4 ? ? . . . 1DHN 14 ARG H 14 ARG N -14.1 ? ? . . . 1DHN 15 HIS H 15 HIS N -13.6 ? ? . . . 1DHN 16 GLY H 16 GLY N 17.5 ? ? . . . 1DHN 17 LEU H 17 LEU N -7.9 ? ? . . . 1DHN 18 ASP H 18 ASP N -11.4 ? ? . . . 1DHN 19 ASN H 19 ASN N -12.7 ? ? . . . 1DHN 20 TYR H 20 TYR N -13.0 ? ? . . . 1DHN 21 ARG H 21 ARG N -14.1 ? ? . . . 1DHN 22 GLY H 22 GLY N -9.1 ? ? . . . 1DHN 23 TYR H 23 TYR N 2.7 ? ? . . . 1DHN 25 LEU H 25 LEU N 1.5 ? ? . . . 1DHN 26 GLY H 26 GLY N 8.6 ? ? . . . 1DHN 27 ASN H 27 ASN N -11.8 ? ? . . . 1DHN 28 TRP H 28 TRP N 7.6 ? ? . . . 1DHN 29 VAL H 29 VAL N 6.8 ? ? . . . 1DHN 30 CYS H 30 CYS N -4.3 ? ? . . . 1DHN 31 ALA H 31 ALA N -7.9 ? ? . . . 1DHN 32 ALA H 32 ALA N 4.4 ? ? . . . 1DHN 33 LYS H 33 LYS N 1.1 ? ? . . . 1DHN 34 PHE H 34 PHE N -8.1 ? ? . . . 1DHN 35 GLU H 35 GLU N 1.2 ? ? . . . 1DHN 36 SER H 36 SER N 9.5 ? ? . . . 1DHN 37 ASN H 37 ASN N -11.6 ? ? . . . 1DHN 38 PHE H 38 PHE N -2.7 ? ? . . . 1DHN 39 ASN H 39 ASN N -8.0 ? ? . . . 1DHN 40 THR H 40 THR N 7.3 ? ? . . . 1DHN 41 GLU H 41 GLU N 10.1 ? ? . . . 1DHN 42 ALA H 42 ALA N 15.6 ? ? . . . 1DHN 43 THR H 43 THR N -15.9 ? ? . . . 1DHN 44 ASN H 44 ASN N -14.8 ? ? . . . 1DHN 46 ASN H 46 ASN N -9.8 ? ? . . . 1DHN 49 GLY H 49 GLY N 1.7 ? ? . . . 1DHN 50 SER H 50 SER N -11.2 ? ? . . . 1DHN 51 THR H 51 THR N -14.9 ? ? . . . 1DHN 52 ASP H 52 ASP N -17.1 ? ? . . . 1DHN 54 GLY H 54 GLY N -11.5 ? ? . . . 1DHN 55 ILE H 55 ILE N -13.9 ? ? . . . 1DHN 56 LEU H 56 LEU N -0.4 ? ? . . . 1DHN 57 GLN H 57 GLN N -6.4 ? ? . . . 1DHN 58 ILE H 58 ILE N -7.5 ? ? . . . 1DHN 59 ASN H 59 ASN N -1.5 ? ? . . . 1DHN 60 SER H 60 SER N -12.8 ? ? . . . 1DHN 61 ARG H 61 ARG N 4.3 ? ? . . . 1DHN 62 TRP H 62 TRP N 2.2 ? ? . . . 1DHN 63 TRP H 63 TRP N -13.5 ? ? . . . 1DHN 64 CYS H 64 CYS N -10.4 ? ? . . . 1DHN 65 ASN H 65 ASN N -3.4 ? ? . . . 1DHN 66 ASP H 66 ASP N -5.6 ? ? . . . 1DHN 67 GLY H 67 GLY N -11.9 ? ? . . . 1DHN 68 ARG H 68 ARG N 22.1 ? ? . . . 1DHN 72 SER H 72 SER N -2.3 ? ? . . . 1DHN 73 ARG H 73 ARG N -1.9 ? ? . . . 1DHN 76 CYS H 76 CYS N -11.1 ? ? . . . 1DHN 77 ASN H 77 ASN N 0.2 ? ? . . . 1DHN 78 ILE H 78 ILE N -6.7 ? ? . . . 1DHN 80 CYS H 80 CYS N 25.1 ? ? . . . 1DHN 81 SER H 81 SER N 23.5 ? ? . . . 1DHN 82 ALA H 82 ALA N 10.3 ? ? . . . 1DHN 83 LEU H 83 LEU N 22.0 ? ? . . . 1DHN 84 LEU H 84 LEU N 11.1 ? ? . . . 1DHN 85 SER H 85 SER N -7.1 ? ? . . . 1DHN 87 ASP H 87 ASP N 22.0 ? ? . . . 1DHN 89 THR H 89 THR N -6.5 ? ? . . . 1DHN 90 ALA H 90 ALA N -11.4 ? ? . . . 1DHN 91 SER H 91 SER N -2.2 ? ? . . . 1DHN 92 VAL H 92 VAL N -8.5 ? ? . . . 1DHN 93 ASN H 93 ASN N -10.6 ? ? . . . 1DHN 94 CYS H 94 CYS N -10.9 ? ? . . . 1DHN 95 ALA H 95 ALA N -7.0 ? ? . . . 1DHN 96 LYS H 96 LYS N -11.1 ? ? . . . 1DHN 97 LYS H 97 LYS N -11.5 ? ? . . . 1DHN 99 VAL H 99 VAL N -7.4 ? ? . . . 1DHN 100 SER H 100 SER N -5.4 ? ? . . . 1DHN 101 ASP H 101 ASP N -11.9 ? ? . . . 1DHN 102 GLY H 102 GLY N 9.7 ? ? . . . 1DHN 104 GLY H 104 GLY N -7.4 ? ? . . . 1DHN 105 MET H 105 MET N 8.8 ? ? . . . 1DHN 106 ASN H 106 ASN N -14.0 ? ? . . . 1DHN 107 ALA H 107 ALA N -6.3 ? ? . . . 1DHN 109 VAL H 109 VAL N 11.4 ? ? . . . 1DHN 110 ALA H 110 ALA N -3.9 ? ? . . . 1DHN 111 TRP H 111 TRP N 15.5 ? ? . . . 1DHN 112 ARG H 112 ARG N 16.9 ? ? . . . 1DHN 113 ASN H 113 ASN N 4.0 ? ? . . . 1DHN 114 ARG H 114 ARG N 0.0 ? ? . . . 1DHN 116 LYS H 116 LYS N 21.1 ? ? . . . 1DHN 118 THR H 118 THR N 3.9 ? ? . . . 1DHN 120 VAL H 120 VAL N -7.4 ? ? . . . 1DHN 123 TRP H 123 TRP N -4.8 ? ? . . . 1DHN 124 ILE H 124 ILE N -8.7 ? ? . . . 1DHN 125 ARG H 125 ARG N -2.1 ? ? . . . 1DHN 127 CYS H 127 CYS N -6.4 ? ? . . . 1DHN 129 LEU H 129 LEU N 4.5 ? ? . . . stop_ save_