data_19127 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The Dynamics of Lysozyme from Bacteriophage Lambda in Solution probed by NMR and MD simulations ; _BMRB_accession_number 19127 _BMRB_flat_file_name bmr19127.str _Entry_type original _Submission_date 2013-03-28 _Accession_date 2013-03-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details '15N relaxation data, residual dipolar couplings, spin-spin coupling constants for lysozyme from bacteriophage lambda' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Smith Lorna J. . 2 Bowen Alice . . 3 DiPaolo Alexandre . . 4 Matagne Andre . . 5 Redfield Christina . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count coupling_constants 1 heteronucl_NOE 2 T1_relaxation 2 T2_relaxation 2 residual_dipolar_couplings 1 stop_ loop_ _Data_type _Data_type_count "coupling constants" 104 "T1 relaxation values" 256 "T2 relaxation values" 256 "residual dipolar couplings" 118 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-10-29 update BMRB 'update entry citation' 2013-08-15 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16664 'Backbone 1H, 13C, 15N resonance assignments for lysozyme from bacteriophage lambda' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The dynamics of lysozyme from bacteriophage lambda in solution probed by NMR and MD simulations.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23801644 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Smith Lorna J. . 2 Bowen Alice M. . 3 'Di Paolo' Alexandre . . 4 Matagne Andre . . 5 Redfield Christina . . stop_ _Journal_abbreviation Chembiochem _Journal_name_full 'Chembiochem : a European journal of chemical biology' _Journal_volume 14 _Journal_issue 14 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1780 _Page_last 1788 _Year 2013 _Details . loop_ _Keyword '15N relaxation' lysozyme 'molecular dynamics' 'NMR spectroscopy' 'residual dipolar couplings' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'lambda lysozyme' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label lambda_lysozyme $lambda_lysozyme stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Lysozyme hydrolyzes the -1,4 linkages between N-acetylmuramic acid and N- acetylglucosamine' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_lambda_lysozyme _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common lambda_lysozyme _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'lysozyme hydrolyzes the 1,4 linkages between N-acetylmuramic acid and N- acetylglucosamine' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 158 _Mol_residue_sequence ; MVEINNQRKAFLDMLAWSEG TDNGRQKTRNHGYDVIVGGE LFTDYSDHPRKLVTLNPKLK STGAGRYQLLSRWWDAYRKQ LGLKDFSPKSQDAVALQQIK ERGALPMIDRGDIRQAIDRC SNIWASLPGAGYGQFEHKAD SLIAKFKEAGGTVREIDV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 VAL 3 3 GLU 4 4 ILE 5 5 ASN 6 6 ASN 7 7 GLN 8 8 ARG 9 9 LYS 10 10 ALA 11 11 PHE 12 12 LEU 13 13 ASP 14 14 MET 15 15 LEU 16 16 ALA 17 17 TRP 18 18 SER 19 19 GLU 20 20 GLY 21 21 THR 22 22 ASP 23 23 ASN 24 24 GLY 25 25 ARG 26 26 GLN 27 27 LYS 28 28 THR 29 29 ARG 30 30 ASN 31 31 HIS 32 32 GLY 33 33 TYR 34 34 ASP 35 35 VAL 36 36 ILE 37 37 VAL 38 38 GLY 39 39 GLY 40 40 GLU 41 41 LEU 42 42 PHE 43 43 THR 44 44 ASP 45 45 TYR 46 46 SER 47 47 ASP 48 48 HIS 49 49 PRO 50 50 ARG 51 51 LYS 52 52 LEU 53 53 VAL 54 54 THR 55 55 LEU 56 56 ASN 57 57 PRO 58 58 LYS 59 59 LEU 60 60 LYS 61 61 SER 62 62 THR 63 63 GLY 64 64 ALA 65 65 GLY 66 66 ARG 67 67 TYR 68 68 GLN 69 69 LEU 70 70 LEU 71 71 SER 72 72 ARG 73 73 TRP 74 74 TRP 75 75 ASP 76 76 ALA 77 77 TYR 78 78 ARG 79 79 LYS 80 80 GLN 81 81 LEU 82 82 GLY 83 83 LEU 84 84 LYS 85 85 ASP 86 86 PHE 87 87 SER 88 88 PRO 89 89 LYS 90 90 SER 91 91 GLN 92 92 ASP 93 93 ALA 94 94 VAL 95 95 ALA 96 96 LEU 97 97 GLN 98 98 GLN 99 99 ILE 100 100 LYS 101 101 GLU 102 102 ARG 103 103 GLY 104 104 ALA 105 105 LEU 106 106 PRO 107 107 MET 108 108 ILE 109 109 ASP 110 110 ARG 111 111 GLY 112 112 ASP 113 113 ILE 114 114 ARG 115 115 GLN 116 116 ALA 117 117 ILE 118 118 ASP 119 119 ARG 120 120 CYS 121 121 SER 122 122 ASN 123 123 ILE 124 124 TRP 125 125 ALA 126 126 SER 127 127 LEU 128 128 PRO 129 129 GLY 130 130 ALA 131 131 GLY 132 132 TYR 133 133 GLY 134 134 GLN 135 135 PHE 136 136 GLU 137 137 HIS 138 138 LYS 139 139 ALA 140 140 ASP 141 141 SER 142 142 LEU 143 143 ILE 144 144 ALA 145 145 LYS 146 146 PHE 147 147 LYS 148 148 GLU 149 149 ALA 150 150 GLY 151 151 GLY 152 152 THR 153 153 VAL 154 154 ARG 155 155 GLU 156 156 ILE 157 157 ASP 158 158 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 16664 lambda_lysozyme 100.00 158 100.00 100.00 1.94e-112 PDB 1AM7 "Lysozyme From Bacteriophage Lambda" 100.00 158 97.47 97.47 5.04e-108 PDB 1D9U "Bacteriophage Lambda Lysozyme Complexed With A Chitohexasacharide" 97.47 154 100.00 100.00 1.91e-109 PDB 3D3D "Bacteriophage Lambda Lysozyme Complexed With A Chitohexasaccharide" 97.47 154 100.00 100.00 1.91e-109 DBJ BAI26565 "putative endolysin [Escherichia coli O26:H11 str. 11368]" 100.00 158 98.73 99.37 2.83e-111 EMBL CAP75477 "Lysin (EC 32117) [Escherichia coli LF82]" 91.77 145 97.93 99.31 5.87e-100 EMBL CAQ31245 "enterobacteria phage lambda, endolysin [Escherichia coli BL21(DE3)]" 100.00 158 100.00 100.00 1.94e-112 EMBL CAR03799 "Lysozyme (Muramidase) (Endolysin) [Escherichia coli S88]" 100.00 158 98.10 99.37 1.31e-110 EMBL CBG33651 "phage endolysin [Escherichia coli 042]" 100.00 158 98.10 99.37 3.64e-111 EMBL CCK47619 "lysozyme [Escherichia coli chi7122]" 100.00 158 99.37 99.37 7.62e-112 GB AAA96598 "R (cell lysis;158) [Enterobacteria phage lambda]" 100.00 158 100.00 100.00 1.94e-112 GB AAF30387 "lysin [Enterobacteria phage HK022]" 100.00 158 98.10 98.73 1.68e-110 GB AAF31145 "lysin [Enterobacteria phage HK97]" 100.00 158 98.73 99.37 2.83e-111 GB AAK28884 "lysozyme [Salmonella phage HK620]" 100.00 158 98.73 99.37 2.83e-111 GB AAQ12247 "gene 62 protein [Shigella phage Sf6]" 100.00 158 98.10 98.73 1.26e-110 PRF 711077A endolysin 100.00 157 97.47 99.37 8.58e-109 REF NP_037696 "lysin [Enterobacteria phage HK022]" 100.00 158 98.10 98.73 1.68e-110 REF NP_037753 "lysin [Enterobacteria phage HK97]" 100.00 158 98.73 99.37 2.83e-111 REF NP_040645 "endolysin [Enterobacteria phage lambda]" 100.00 158 100.00 100.00 1.94e-112 REF NP_112069 "lysozyme [Enterobacteria phage HK620]" 100.00 158 98.73 99.37 2.83e-111 REF NP_958236 "gene 62 protein [Enterobacteria phage Sf6]" 100.00 158 98.10 98.73 1.26e-110 SP P03706 "RecName: Full=Endolysin; AltName: Full=Lysis protein; AltName: Full=Lysozyme; AltName: Full=Muramidase; AltName: Full=Transglyc" 100.00 158 100.00 100.00 1.94e-112 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $lambda_lysozyme 'Bacteriophage lambda' 10710 Viruses . Lambdalikevirus 'Enterobacteria phage lambda' 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 $lambda_lysozyme 'recombinant technology' . Escherichia coli 'Escherichia coli BL21(DE3)' pET22b 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 $lambda_lysozyme 0 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $lambda_lysozyme 0 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer home-built _Model home-built _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer home-built _Model home-built _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HMQC-J_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HMQC-J' _Sample_label $sample_1 save_ save_2D_15N_T1_measurement_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N T1 measurement' _Sample_label $sample_1 save_ save_2D_15N_T1_measurement_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N T1 measurement' _Sample_label $sample_1 save_ save_2D_15N_T2_measurement_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N T2 measurement' _Sample_label $sample_1 save_ save_2D_15N_T2_measurement_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N T2 measurement' _Sample_label $sample_1 save_ save_2D_{1H}-15N_heteronuclear_NOE_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D {1H}-15N heteronuclear NOE' _Sample_label $sample_1 save_ save_2D_{1H}-15N_heteronuclear_NOE_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D {1H}-15N heteronuclear NOE' _Sample_label $sample_1 save_ save_2D_1H-15N_IPAP_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N IPAP' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 5.45 . pH pressure 1 . atm temperature 293 . K stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constant_list_1 _Saveframe_category coupling_constants _Details . loop_ _Experiment_label '2D 1H-15N HMQC-J' stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 750 _Mol_system_component_name lambda_lysozyme _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 3 GLU H 3 GLU HA 5.34 4.84 5.84 0.50 2 3JHNHA 4 ILE H 4 ILE HA 6.28 5.78 6.78 0.50 3 3JHNHA 6 ASN H 6 ASN HA 3.95 3.45 4.45 0.50 4 3JHNHA 7 GLN H 7 GLN HA 5.17 4.67 5.67 0.50 5 3JHNHA 8 ARG H 8 ARG HA 4.75 4.25 5.25 0.50 6 3JHNHA 9 LYS H 9 LYS HA 3.82 3.32 4.32 0.50 7 3JHNHA 10 ALA H 10 ALA HA 3.47 2.97 3.97 0.50 8 3JHNHA 11 PHE H 11 PHE HA 4.00 3.50 4.50 0.50 9 3JHNHA 12 LEU H 12 LEU HA 4.15 3.65 4.65 0.50 10 3JHNHA 14 MET H 14 MET HA 3.74 3.24 4.24 0.50 11 3JHNHA 15 LEU H 15 LEU HA 3.72 3.22 4.22 0.50 12 3JHNHA 16 ALA H 16 ALA HA 4.09 3.59 4.59 0.50 13 3JHNHA 17 TRP H 17 TRP HA 4.68 4.18 5.18 0.50 14 3JHNHA 19 GLU H 19 GLU HA 4.64 4.14 5.14 0.50 15 3JHNHA 21 THR H 21 THR HA 8.39 7.89 8.89 0.50 16 3JHNHA 22 ASP H 22 ASP HA 9.90 9.40 10.40 0.50 17 3JHNHA 25 ARG H 25 ARG HA 9.89 9.39 10.39 0.50 18 3JHNHA 26 GLN H 26 GLN HA 3.83 3.33 4.33 0.50 19 3JHNHA 27 LYS H 27 LYS HA 2.78 2.28 3.28 0.50 20 3JHNHA 28 THR H 28 THR HA 5.17 4.67 5.67 0.50 21 3JHNHA 29 ARG H 29 ARG HA 7.96 7.46 8.46 0.50 22 3JHNHA 30 ASN H 30 ASN HA 6.50 6.00 7.00 0.50 23 3JHNHA 31 HIS H 31 HIS HA 5.60 5.10 6.10 0.50 24 3JHNHA 35 VAL H 35 VAL HA 5.18 4.68 5.68 0.50 25 3JHNHA 36 ILE H 36 ILE HA 6.06 5.56 6.56 0.50 26 3JHNHA 37 VAL H 37 VAL HA 1.79 1.29 2.29 0.50 27 3JHNHA 40 GLU H 40 GLU HA 5.91 5.41 6.41 0.50 28 3JHNHA 42 PHE H 42 PHE HA 8.38 7.88 8.88 0.50 29 3JHNHA 43 THR H 43 THR HA 9.40 8.90 9.90 0.50 30 3JHNHA 44 ASP H 44 ASP HA 7.35 6.85 7.85 0.50 31 3JHNHA 45 TYR H 45 TYR HA 7.48 6.98 7.98 0.50 32 3JHNHA 46 SER H 46 SER HA 3.31 2.81 3.81 0.50 33 3JHNHA 47 ASP H 47 ASP HA 5.73 5.23 6.23 0.50 34 3JHNHA 51 LYS H 51 LYS HA 7.56 7.06 8.06 0.50 35 3JHNHA 52 LEU H 52 LEU HA 6.21 5.71 6.71 0.50 36 3JHNHA 54 THR H 54 THR HA 7.05 6.55 7.55 0.50 37 3JHNHA 55 LEU H 55 LEU HA 7.50 7.00 8.00 0.50 38 3JHNHA 58 LYS H 58 LYS HA 9.38 8.88 9.88 0.50 39 3JHNHA 59 LEU H 59 LEU HA 8.18 7.68 8.68 0.50 40 3JHNHA 60 LYS H 60 LYS HA 8.57 8.07 9.07 0.50 41 3JHNHA 64 ALA H 64 ALA HA 7.69 7.19 8.19 0.50 42 3JHNHA 66 ARG H 66 ARG HA 6.24 5.74 6.74 0.50 43 3JHNHA 70 LEU H 70 LEU HA 6.16 5.66 6.66 0.50 44 3JHNHA 71 SER H 71 SER HA 2.99 2.49 3.49 0.50 45 3JHNHA 72 ARG H 72 ARG HA 3.08 2.58 3.58 0.50 46 3JHNHA 73 TRP H 73 TRP HA 7.03 6.53 7.53 0.50 47 3JHNHA 74 TRP H 74 TRP HA 3.37 2.87 3.87 0.50 48 3JHNHA 75 ASP H 75 ASP HA 3.43 2.93 3.93 0.50 49 3JHNHA 76 ALA H 76 ALA HA 5.34 4.84 5.84 0.50 50 3JHNHA 78 ARG H 78 ARG HA 3.77 3.27 4.27 0.50 51 3JHNHA 79 LYS H 79 LYS HA 5.82 5.32 6.32 0.50 52 3JHNHA 81 LEU H 81 LEU HA 6.97 6.47 7.47 0.50 53 3JHNHA 83 LEU H 83 LEU HA 6.81 6.31 7.31 0.50 54 3JHNHA 84 LYS H 84 LYS HA 7.76 7.26 8.26 0.50 55 3JHNHA 85 ASP H 85 ASP HA 5.81 5.31 6.31 0.50 56 3JHNHA 87 SER H 87 SER HA 4.79 4.29 5.29 0.50 57 3JHNHA 89 LYS H 89 LYS HA 4.59 4.09 5.09 0.50 58 3JHNHA 90 SER H 90 SER HA 4.79 4.29 5.29 0.50 59 3JHNHA 92 ASP H 92 ASP HA 2.78 2.28 3.28 0.50 60 3JHNHA 93 ALA H 93 ALA HA 3.19 2.69 3.69 0.50 61 3JHNHA 95 ALA H 95 ALA HA 4.31 3.81 4.81 0.50 62 3JHNHA 96 LEU H 96 LEU HA 3.42 2.92 3.92 0.50 63 3JHNHA 97 GLN H 97 GLN HA 4.29 3.79 4.79 0.50 64 3JHNHA 98 GLN H 98 GLN HA 4.15 3.65 4.65 0.50 65 3JHNHA 99 ILE H 99 ILE HA 3.30 2.80 3.80 0.50 66 3JHNHA 101 GLU H 101 GLU HA 3.99 3.49 4.49 0.50 67 3JHNHA 102 ARG H 102 ARG HA 6.82 6.32 7.32 0.50 68 3JHNHA 104 ALA H 104 ALA HA 7.13 6.63 7.63 0.50 69 3JHNHA 105 LEU H 105 LEU HA 4.53 4.03 5.03 0.50 70 3JHNHA 107 MET H 107 MET HA 5.63 5.13 6.13 0.50 71 3JHNHA 108 ILE H 108 ILE HA 5.21 4.71 5.71 0.50 72 3JHNHA 109 ASP H 109 ASP HA 3.60 3.10 4.10 0.50 73 3JHNHA 110 ARG H 110 ARG HA 7.45 6.95 7.95 0.50 74 3JHNHA 112 ASP H 112 ASP HA 7.98 7.48 8.48 0.50 75 3JHNHA 113 ILE H 113 ILE HA 5.05 4.55 5.55 0.50 76 3JHNHA 115 GLN H 115 GLN HA 4.50 4.00 5.00 0.50 77 3JHNHA 116 ALA H 116 ALA HA 3.83 3.33 4.33 0.50 78 3JHNHA 118 ASP H 118 ASP HA 3.92 3.42 4.42 0.50 79 3JHNHA 119 ARG H 119 ARG HA 5.38 4.88 5.88 0.50 80 3JHNHA 120 CYS H 120 CYS HA 7.18 6.68 7.68 0.50 81 3JHNHA 121 SER H 121 SER HA 3.96 3.46 4.46 0.50 82 3JHNHA 122 ASN H 122 ASN HA 6.17 5.67 6.67 0.50 83 3JHNHA 126 SER H 126 SER HA 6.62 6.12 7.12 0.50 84 3JHNHA 127 LEU H 127 LEU HA 3.91 3.41 4.41 0.50 85 3JHNHA 132 TYR H 132 TYR HA 7.30 6.80 7.80 0.50 86 3JHNHA 134 GLN H 134 GLN HA 8.50 8.00 9.00 0.50 87 3JHNHA 135 PHE H 135 PHE HA 4.78 4.28 5.28 0.50 88 3JHNHA 137 HIS H 137 HIS HA 6.09 5.59 6.59 0.50 89 3JHNHA 138 LYS H 138 LYS HA 5.41 4.91 5.91 0.50 90 3JHNHA 141 SER H 141 SER HA 5.94 5.44 6.44 0.50 91 3JHNHA 142 LEU H 142 LEU HA 5.05 4.55 5.55 0.50 92 3JHNHA 144 ALA H 144 ALA HA 4.03 3.53 4.53 0.50 93 3JHNHA 145 LYS H 145 LYS HA 4.05 3.55 4.55 0.50 94 3JHNHA 146 PHE H 146 PHE HA 4.58 4.08 5.08 0.50 95 3JHNHA 147 LYS H 147 LYS HA 4.78 4.28 5.28 0.50 96 3JHNHA 148 GLU H 148 GLU HA 3.59 3.09 4.09 0.50 97 3JHNHA 149 ALA H 149 ALA HA 6.15 5.65 6.65 0.50 98 3JHNHA 152 THR H 152 THR HA 8.48 7.98 8.98 0.50 99 3JHNHA 153 VAL H 153 VAL HA 8.75 8.25 9.25 0.50 100 3JHNHA 154 ARG H 154 ARG HA 6.73 6.23 7.23 0.50 101 3JHNHA 155 GLU H 155 GLU HA 7.12 6.62 7.62 0.50 102 3JHNHA 156 ILE H 156 ILE HA 7.60 7.10 8.10 0.50 103 3JHNHA 157 ASP H 157 ASP HA 7.24 6.74 7.74 0.50 104 3JHNHA 158 VAL H 158 VAL HA 8.57 8.07 9.07 0.50 stop_ save_ save_RDC_list_1 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $sample_2 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 DHN 3 GLU N 3 GLU H -5.320 ? ? . . 1.000 DHN 4 ILE N 4 ILE H 0.304 ? ? . . 1.000 DHN 5 ASN N 5 ASN H -5.852 ? ? . . 1.000 DHN 6 ASN N 6 ASN H 8.740 ? ? . . 1.000 DHN 8 ARG N 8 ARG H -2.888 ? ? . . 1.000 DHN 9 LYS N 9 LYS H 7.220 ? ? . . 1.000 DHN 10 ALA N 10 ALA H 13.984 ? ? . . 1.000 DHN 11 PHE N 11 PHE H -2.888 ? ? . . 1.000 DHN 12 LEU N 12 LEU H 2.584 ? ? . . 1.000 DHN 14 MET N 14 MET H 4.028 ? ? . . 1.000 DHN 15 LEU N 15 LEU H -1.596 ? ? . . 1.000 DHN 17 TRP N 17 TRP H 12.616 ? ? . . 1.000 DHN 19 GLU N 19 GLU H -0.836 ? ? . . 1.000 DHN 20 GLY N 20 GLY H 34.200 ? ? . . 1.000 DHN 21 THR N 21 THR H 6.156 ? ? . . 1.000 DHN 22 ASP N 22 ASP H -14.744 ? ? . . 1.000 DHN 24 GLY N 24 GLY H 3.724 ? ? . . 1.000 DHN 25 ARG N 25 ARG H -21.128 ? ? . . 1.000 DHN 26 GLN N 26 GLN H 12.388 ? ? . . 1.000 DHN 27 LYS N 27 LYS H 4.560 ? ? . . 1.000 DHN 28 THR N 28 THR H -18.620 ? ? . . 1.000 DHN 29 ARG N 29 ARG H -11.780 ? ? . . 1.000 DHN 30 ASN N 30 ASN H -12.312 ? ? . . 1.000 DHN 31 HIS N 31 HIS H -27.740 ? ? . . 1.000 DHN 32 GLY N 32 GLY H -7.524 ? ? . . 1.000 DHN 35 VAL N 35 VAL H 26.524 ? ? . . 1.000 DHN 36 ILE N 36 ILE H -18.164 ? ? . . 1.000 DHN 37 VAL N 37 VAL H -14.440 ? ? . . 1.000 DHN 38 GLY N 38 GLY H 33.440 ? ? . . 1.000 DHN 39 GLY N 39 GLY H -13.072 ? ? . . 1.000 DHN 40 GLU N 40 GLU H -26.372 ? ? . . 1.000 DHN 42 PHE N 42 PHE H 37.772 ? ? . . 1.000 DHN 43 THR N 43 THR H 26.372 ? ? . . 1.000 DHN 44 ASP N 44 ASP H -4.256 ? ? . . 1.000 DHN 45 TYR N 45 TYR H -21.660 ? ? . . 1.000 DHN 46 SER N 46 SER H -0.380 ? ? . . 1.000 DHN 47 ASP N 47 ASP H -17.024 ? ? . . 1.000 DHN 50 ARG N 50 ARG H 30.628 ? ? . . 1.000 DHN 51 LYS N 51 LYS H 24.700 ? ? . . 1.000 DHN 52 LEU N 52 LEU H 30.932 ? ? . . 1.000 DHN 53 VAL N 53 VAL H 11.704 ? ? . . 1.000 DHN 55 LEU N 55 LEU H -24.624 ? ? . . 1.000 DHN 56 ASN N 56 ASN H -9.804 ? ? . . 1.000 DHN 58 LYS N 58 LYS H -0.912 ? ? . . 1.000 DHN 59 LEU N 59 LEU H -10.564 ? ? . . 1.000 DHN 60 LYS N 60 LYS H -23.180 ? ? . . 1.000 DHN 62 THR N 62 THR H -8.284 ? ? . . 1.000 DHN 63 GLY N 63 GLY H -7.676 ? ? . . 1.000 DHN 65 GLY N 65 GLY H -8.208 ? ? . . 1.000 DHN 66 ARG N 66 ARG H -4.180 ? ? . . 1.000 DHN 67 TYR N 67 TYR H 13.376 ? ? . . 1.000 DHN 68 GLN N 68 GLN H -30.172 ? ? . . 1.000 DHN 69 LEU N 69 LEU H -23.332 ? ? . . 1.000 DHN 70 LEU N 70 LEU H 13.072 ? ? . . 1.000 DHN 71 SER N 71 SER H -2.052 ? ? . . 1.000 DHN 73 TRP N 73 TRP H -13.832 ? ? . . 1.000 DHN 74 TRP N 74 TRP H -0.456 ? ? . . 1.000 DHN 75 ASP N 75 ASP H -2.128 ? ? . . 1.000 DHN 76 ALA N 76 ALA H -5.168 ? ? . . 1.000 DHN 78 ARG N 78 ARG H 2.280 ? ? . . 1.000 DHN 79 LYS N 79 LYS H -8.436 ? ? . . 1.000 DHN 81 LEU N 81 LEU H 1.216 ? ? . . 1.000 DHN 82 GLY N 82 GLY H -11.780 ? ? . . 1.000 DHN 84 LYS N 84 LYS H 11.856 ? ? . . 1.000 DHN 85 ASP N 85 ASP H 25.156 ? ? . . 1.000 DHN 87 SER N 87 SER H -6.688 ? ? . . 1.000 DHN 89 LYS N 89 LYS H -7.372 ? ? . . 1.000 DHN 90 SER N 90 SER H -2.432 ? ? . . 1.000 DHN 92 ASP N 92 ASP H -18.392 ? ? . . 1.000 DHN 95 ALA N 95 ALA H -21.584 ? ? . . 1.000 DHN 96 LEU N 96 LEU H -9.728 ? ? . . 1.000 DHN 97 GLN N 97 GLN H 8.284 ? ? . . 1.000 DHN 98 GLN N 98 GLN H -16.264 ? ? . . 1.000 DHN 99 ILE N 99 ILE H -13.908 ? ? . . 1.000 DHN 101 GLU N 101 GLU H 2.356 ? ? . . 1.000 DHN 102 ARG N 102 ARG H -30.324 ? ? . . 1.000 DHN 103 GLY N 103 GLY H 9.424 ? ? . . 1.000 DHN 104 ALA N 104 ALA H 37.620 ? ? . . 1.000 DHN 107 MET N 107 MET H 22.572 ? ? . . 1.000 DHN 108 ILE N 108 ILE H 8.816 ? ? . . 1.000 DHN 109 ASP N 109 ASP H -6.536 ? ? . . 1.000 DHN 110 ARG N 110 ARG H -7.904 ? ? . . 1.000 DHN 111 GLY N 111 GLY H 34.276 ? ? . . 1.000 DHN 112 ASP N 112 ASP H 3.572 ? ? . . 1.000 DHN 113 ILE N 113 ILE H 10.868 ? ? . . 1.000 DHN 115 GLN N 115 GLN H 19.532 ? ? . . 1.000 DHN 116 ALA N 116 ALA H 7.524 ? ? . . 1.000 DHN 117 ILE N 117 ILE H 26.372 ? ? . . 1.000 DHN 118 ASP N 118 ASP H 39.064 ? ? . . 1.000 DHN 119 ARG N 119 ARG H 15.960 ? ? . . 1.000 DHN 120 CYS N 120 CYS H 12.160 ? ? . . 1.000 DHN 122 ASN N 122 ASN H 14.364 ? ? . . 1.000 DHN 124 TRP N 124 TRP H 28.956 ? ? . . 1.000 DHN 125 ALA N 125 ALA H 16.492 ? ? . . 1.000 DHN 126 SER N 126 SER H 3.572 ? ? . . 1.000 DHN 127 LEU N 127 LEU H 7.448 ? ? . . 1.000 DHN 129 GLY N 129 GLY H 5.396 ? ? . . 1.000 DHN 130 ALA N 130 ALA H -9.880 ? ? . . 1.000 DHN 131 GLY N 131 GLY H 5.092 ? ? . . 1.000 DHN 133 GLY N 133 GLY H 9.804 ? ? . . 1.000 DHN 137 HIS N 137 HIS H -8.740 ? ? . . 1.000 DHN 138 LYS N 138 LYS H -24.396 ? ? . . 1.000 DHN 140 ASP N 140 ASP H -13.452 ? ? . . 1.000 DHN 141 SER N 141 SER H -15.200 ? ? . . 1.000 DHN 142 LEU N 142 LEU H -24.016 ? ? . . 1.000 DHN 144 ALA N 144 ALA H -9.576 ? ? . . 1.000 DHN 145 LYS N 145 LYS H -19.532 ? ? . . 1.000 DHN 147 LYS N 147 LYS H -9.728 ? ? . . 1.000 DHN 148 GLU N 148 GLU H -9.804 ? ? . . 1.000 DHN 149 ALA N 149 ALA H -23.104 ? ? . . 1.000 DHN 150 GLY N 150 GLY H -0.304 ? ? . . 1.000 DHN 151 GLY N 151 GLY H 4.560 ? ? . . 1.000 DHN 152 THR N 152 THR H -2.128 ? ? . . 1.000 DHN 154 ARG N 154 ARG H 15.504 ? ? . . 1.000 DHN 155 GLU N 155 GLU H -4.940 ? ? . . 1.000 DHN 156 ILE N 156 ILE H -1.672 ? ? . . 1.000 DHN 157 ASP N 157 ASP H -3.040 ? ? . . 1.000 DHN 158 VAL N 158 VAL H -2.432 ? ? . . 1.000 stop_ _Details . _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 750 _Text_data_format . _Text_data . save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _T1_coherence_type Sz _T1_value_units s _Mol_system_component_name lambda_lysozyme _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 GLU N 0.681 0.036 2 4 ILE N 0.748 0.018 3 5 ASN N 0.743 0.040 4 6 ASN N 0.653 0.044 5 7 GLN N 0.680 0.022 6 8 ARG N 0.658 0.046 7 9 LYS N 0.665 0.026 8 10 ALA N 0.687 0.018 9 11 PHE N 0.650 0.024 10 12 LEU N 0.669 0.030 11 14 MET N 0.686 0.028 12 15 LEU N 0.651 0.024 13 16 ALA N 0.651 0.020 14 17 TRP N 0.649 0.024 15 18 SER N 0.639 0.030 16 19 GLU N 0.623 0.032 17 20 GLY N 0.701 0.026 18 21 THR N 0.665 0.030 19 22 ASP N 0.665 0.028 20 24 GLY N 0.676 0.028 21 25 ARG N 0.714 0.024 22 26 GLN N 0.761 0.028 23 27 LYS N 0.671 0.020 24 28 THR N 0.670 0.014 25 29 ARG N 0.658 0.056 26 30 ASN N 0.647 0.026 27 31 HIS N 0.643 0.028 28 32 GLY N 0.613 0.046 29 35 VAL N 0.680 0.022 30 36 ILE N 0.634 0.052 31 37 VAL N 0.621 0.030 32 39 GLY N 0.647 0.024 33 40 GLU N 0.655 0.014 34 42 PHE N 0.710 0.038 35 43 THR N 0.719 0.048 36 44 ASP N 0.685 0.028 37 45 TYR N 0.651 0.028 38 46 SER N 0.607 0.016 39 47 ASP N 0.599 0.012 40 48 HIS N 0.630 0.036 41 50 ARG N 0.810 0.132 42 51 LYS N 0.709 0.028 43 52 LEU N 0.769 0.034 44 53 VAL N 0.710 0.112 45 55 LEU N 0.698 0.060 46 58 LYS N 0.755 0.024 47 59 LEU N 0.803 0.018 48 60 LYS N 0.710 0.024 49 62 THR N 0.668 0.044 50 63 GLY N 0.625 0.032 51 65 GLY N 0.638 0.050 52 66 ARG N 0.596 0.050 53 67 TYR N 0.642 0.042 54 69 LEU N 0.674 0.032 55 70 LEU N 0.672 0.054 56 71 SER N 0.619 0.032 57 72 ARG N 0.582 0.016 58 73 TRP N 0.622 0.022 59 74 TRP N 0.644 0.028 60 75 ASP N 0.629 0.018 61 76 ALA N 0.667 0.014 62 77 TYR N 0.658 0.022 63 78 ARG N 0.640 0.020 64 79 LYS N 0.641 0.016 65 81 LEU N 0.685 0.030 66 82 GLY N 0.670 0.020 67 83 LEU N 0.670 0.024 68 84 LYS N 0.708 0.042 69 85 ASP N 0.730 0.014 70 87 SER N 0.581 0.022 71 89 LYS N 0.664 0.018 72 90 SER N 0.670 0.024 73 91 GLN N 0.601 0.028 74 92 ASP N 0.636 0.022 75 93 ALA N 0.667 0.018 76 95 ALA N 0.626 0.018 77 96 LEU N 0.655 0.026 78 97 GLN N 0.683 0.026 79 98 GLN N 0.652 0.030 80 99 ILE N 0.701 0.038 81 101 GLU N 0.657 0.028 82 102 ARG N 0.656 0.022 83 103 GLY N 0.667 0.024 84 104 ALA N 0.697 0.028 85 105 LEU N 0.637 0.026 86 107 MET N 0.734 0.026 87 108 ILE N 0.669 0.036 88 109 ASP N 0.655 0.020 89 110 ARG N 0.672 0.026 90 112 ASP N 0.650 0.026 91 113 ILE N 0.723 0.030 92 115 GLN N 0.713 0.024 93 116 ALA N 0.689 0.020 94 117 ILE N 0.713 0.032 95 118 ASP N 0.703 0.024 96 119 ARG N 0.684 0.028 97 120 CYS N 0.690 0.030 98 121 SER N 0.677 0.024 99 122 ASN N 0.656 0.020 100 124 TRP N 0.757 0.042 101 126 SER N 0.615 0.026 102 127 LEU N 0.627 0.024 103 129 GLY N 0.715 0.084 104 130 ALA N 0.643 0.026 105 131 GLY N 0.617 0.026 106 132 TYR N 0.626 0.016 107 133 GLY N 0.582 0.018 108 134 GLN N 0.590 0.022 109 135 PHE N 0.630 0.012 110 137 HIS N 0.608 0.034 111 138 LYS N 0.631 0.028 112 140 ASP N 0.656 0.040 113 141 SER N 0.622 0.026 114 142 LEU N 0.654 0.028 115 144 ALA N 0.643 0.014 116 145 LYS N 0.665 0.020 117 146 PHE N 0.648 0.024 118 147 LYS N 0.630 0.028 119 148 GLU N 0.651 0.018 120 149 ALA N 0.673 0.018 121 151 GLY N 0.658 0.024 122 152 THR N 0.684 0.036 123 153 VAL N 0.707 0.026 124 154 ARG N 0.686 0.030 125 155 GLU N 0.619 0.100 126 156 ILE N 0.614 0.060 127 157 ASP N 0.656 0.040 128 158 VAL N 0.938 0.060 stop_ save_ save_heteronuclear_T1_list_2 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 750 _T1_coherence_type Sz _T1_value_units s _Mol_system_component_name lambda_lysozyme _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 GLU N 1.068 0.020 2 4 ILE N 1.163 0.018 3 5 ASN N 1.141 0.056 4 6 ASN N 1.109 0.050 5 7 GLN N 1.136 0.026 6 8 ARG N 1.111 0.050 7 9 LYS N 1.136 0.032 8 10 ALA N 1.112 0.018 9 11 PHE N 1.112 0.028 10 12 LEU N 1.149 0.028 11 14 MET N 1.092 0.032 12 15 LEU N 1.076 0.028 13 16 ALA N 1.101 0.026 14 17 TRP N 1.128 0.026 15 18 SER N 1.054 0.038 16 19 GLU N 1.106 0.038 17 20 GLY N 1.188 0.036 18 21 THR N 1.099 0.032 19 22 ASP N 1.134 0.022 20 24 GLY N 1.119 0.032 21 25 ARG N 1.168 0.024 22 26 GLN N 1.270 0.032 23 27 LYS N 1.106 0.030 24 28 THR N 1.116 0.016 25 29 ARG N 1.168 0.074 26 30 ASN N 1.096 0.032 27 31 HIS N 1.094 0.032 28 32 GLY N 1.070 0.066 29 35 VAL N 1.176 0.024 30 36 ILE N 1.052 0.074 31 37 VAL N 1.080 0.034 32 39 GLY N 1.081 0.034 33 40 GLU N 1.109 0.016 34 42 PHE N 1.197 0.036 35 43 THR N 1.173 0.054 36 44 ASP N 1.143 0.030 37 45 TYR N 1.168 0.032 38 46 SER N 1.035 0.020 39 47 ASP N 1.006 0.012 40 48 HIS N 1.086 0.072 41 50 ARG N 1.382 0.464 42 51 LYS N 1.177 0.024 43 52 LEU N 1.275 0.058 44 53 VAL N 1.188 0.080 45 55 LEU N 1.176 0.090 46 58 LYS N 1.219 0.024 47 59 LEU N 1.234 0.018 48 60 LYS N 1.176 0.028 49 62 THR N 1.198 0.056 50 63 GLY N 1.075 0.038 51 65 GLY N 1.120 0.062 52 66 ARG N 1.010 0.056 53 67 TYR N 1.095 0.048 54 69 LEU N 1.083 0.034 55 70 LEU N 1.100 0.068 56 71 SER N 1.069 0.040 57 72 ARG N 0.992 0.018 58 73 TRP N 1.081 0.022 59 74 TRP N 1.070 0.030 60 75 ASP N 1.104 0.020 61 76 ALA N 1.089 0.014 62 77 TYR N 1.112 0.024 63 78 ARG N 1.047 0.024 64 79 LYS N 1.055 0.016 65 81 LEU N 1.147 0.032 66 82 GLY N 1.110 0.022 67 83 LEU N 1.097 0.024 68 84 LYS N 1.218 0.046 69 85 ASP N 1.190 0.016 70 87 SER N 1.000 0.026 71 89 LYS N 1.132 0.020 72 90 SER N 1.102 0.022 73 91 GLN N 1.001 0.034 74 92 ASP N 1.093 0.028 75 93 ALA N 1.109 0.018 76 95 ALA N 1.058 0.020 77 96 LEU N 1.163 0.032 78 97 GLN N 1.094 0.024 79 98 GLN N 1.115 0.032 80 99 ILE N 1.110 0.038 81 101 GLU N 1.137 0.028 82 102 ARG N 1.120 0.030 83 103 GLY N 1.107 0.022 84 104 ALA N 1.132 0.032 85 105 LEU N 1.192 0.026 86 107 MET N 1.095 0.030 87 108 ILE N 1.251 0.028 88 109 ASP N 1.211 0.040 89 110 ARG N 1.074 0.024 90 112 ASP N 1.122 0.026 91 113 ILE N 1.122 0.030 92 115 GLN N 1.217 0.030 93 116 ALA N 1.169 0.028 94 117 ILE N 1.155 0.024 95 118 ASP N 1.230 0.038 96 119 ARG N 1.200 0.026 97 120 CYS N 1.109 0.038 98 121 SER N 1.198 0.034 99 122 ASN N 1.150 0.028 100 124 TRP N 1.047 0.026 101 126 SER N 1.262 0.052 102 127 LEU N 1.043 0.038 103 129 GLY N 1.074 0.028 104 130 ALA N 0.978 0.056 105 131 GLY N 0.971 0.056 106 132 TYR N 0.929 0.016 107 133 GLY N 0.891 0.022 108 134 GLN N 0.954 0.028 109 135 PHE N 0.960 0.014 110 137 HIS N 0.916 0.044 111 138 LYS N 1.016 0.050 112 140 ASP N 1.060 0.134 113 141 SER N 1.080 0.054 114 142 LEU N 1.099 0.032 115 144 ALA N 1.062 0.018 116 145 LYS N 1.087 0.020 117 146 PHE N 1.067 0.030 118 147 LYS N 1.084 0.030 119 148 GLU N 1.076 0.020 120 149 ALA N 1.145 0.018 121 151 GLY N 1.108 0.028 122 152 THR N 1.154 0.046 123 153 VAL N 1.176 0.028 124 154 ARG N 1.131 0.034 125 155 GLU N 0.868 0.010 126 156 ILE N 0.743 0.004 127 157 ASP N 0.768 0.004 128 158 VAL N 1.002 0.004 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _T2_coherence_type S(+,-) _T2_value_units s _Mol_system_component_name lambda_lysozyme _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 3 GLU N 0.095 0.004 . . 2 4 ILE N 0.096 0.002 . . 3 5 ASN N 0.099 0.004 . . 4 6 ASN N 0.066 0.005 . . 5 7 GLN N 0.075 0.002 . . 6 8 ARG N 0.072 0.004 . . 7 9 LYS N 0.070 0.002 . . 8 10 ALA N 0.072 0.002 . . 9 11 PHE N 0.075 0.002 . . 10 12 LEU N 0.072 0.002 . . 11 14 MET N 0.071 0.002 . . 12 15 LEU N 0.078 0.003 . . 13 16 ALA N 0.071 0.002 . . 14 17 TRP N 0.070 0.002 . . 15 18 SER N 0.064 0.003 . . 16 19 GLU N 0.072 0.003 . . 17 20 GLY N 0.069 0.002 . . 18 21 THR N 0.074 0.003 . . 19 22 ASP N 0.075 0.002 . . 20 24 GLY N 0.077 0.003 . . 21 25 ARG N 0.085 0.002 . . 22 26 GLN N 0.081 0.003 . . 23 27 LYS N 0.074 0.002 . . 24 28 THR N 0.088 0.002 . . 25 29 ARG N 0.086 0.006 . . 26 30 ASN N 0.075 0.002 . . 27 31 HIS N 0.067 0.002 . . 28 32 GLY N 0.071 0.004 . . 29 35 VAL N 0.067 0.002 . . 30 36 ILE N 0.071 0.004 . . 31 37 VAL N 0.079 0.003 . . 32 39 GLY N 0.082 0.002 . . 33 40 GLU N 0.080 0.002 . . 34 42 PHE N 0.068 0.003 . . 35 43 THR N 0.073 0.004 . . 36 44 ASP N 0.078 0.003 . . 37 45 TYR N 0.080 0.003 . . 38 46 SER N 0.067 0.002 . . 39 47 ASP N 0.073 0.001 . . 40 48 HIS N 0.080 0.004 . . 41 50 ARG N 0.066 0.008 . . 42 51 LYS N 0.072 0.002 . . 43 52 LEU N 0.062 0.003 . . 44 53 VAL N 0.039 0.006 . . 45 55 LEU N 0.063 0.004 . . 46 58 LYS N 0.089 0.002 . . 47 59 LEU N 0.091 0.002 . . 48 60 LYS N 0.083 0.002 . . 49 62 THR N 0.081 0.004 . . 50 63 GLY N 0.073 0.003 . . 51 65 GLY N 0.074 0.004 . . 52 66 ARG N 0.067 0.005 . . 53 67 TYR N 0.078 0.004 . . 54 69 LEU N 0.068 0.003 . . 55 70 LEU N 0.071 0.005 . . 56 71 SER N 0.068 0.003 . . 57 72 ARG N 0.070 0.002 . . 58 73 TRP N 0.075 0.002 . . 59 74 TRP N 0.072 0.003 . . 60 75 ASP N 0.073 0.002 . . 61 76 ALA N 0.079 0.001 . . 62 77 TYR N 0.078 0.002 . . 63 78 ARG N 0.071 0.002 . . 64 79 LYS N 0.078 0.002 . . 65 81 LEU N 0.082 0.003 . . 66 82 GLY N 0.084 0.002 . . 67 83 LEU N 0.080 0.002 . . 68 84 LYS N 0.074 0.004 . . 69 85 ASP N 0.075 0.001 . . 70 87 SER N 0.072 0.003 . . 71 89 LYS N 0.068 0.002 . . 72 90 SER N 0.057 0.002 . . 73 91 GLN N 0.072 0.003 . . 74 92 ASP N 0.069 0.002 . . 75 93 ALA N 0.072 0.002 . . 76 95 ALA N 0.073 0.002 . . 77 96 LEU N 0.074 0.002 . . 78 97 GLN N 0.070 0.002 . . 79 98 GLN N 0.074 0.003 . . 80 99 ILE N 0.091 0.004 . . 81 101 GLU N 0.072 0.003 . . 82 102 ARG N 0.080 0.002 . . 83 103 GLY N 0.070 0.002 . . 84 104 ALA N 0.067 0.002 . . 85 105 LEU N 0.071 0.002 . . 86 107 MET N 0.075 0.002 . . 87 108 ILE N 0.073 0.004 . . 88 109 ASP N 0.073 0.002 . . 89 110 ARG N 0.076 0.002 . . 90 112 ASP N 0.077 0.003 . . 91 113 ILE N 0.074 0.002 . . 92 115 GLN N 0.072 0.002 . . 93 116 ALA N 0.073 0.002 . . 94 117 ILE N 0.071 0.003 . . 95 118 ASP N 0.066 0.002 . . 96 119 ARG N 0.069 0.002 . . 97 120 CYS N 0.078 0.003 . . 98 121 SER N 0.058 0.002 . . 99 122 ASN N 0.057 0.002 . . 100 124 TRP N 0.073 0.004 . . 101 126 SER N 0.060 0.002 . . 102 127 LEU N 0.060 0.002 . . 103 129 GLY N 0.043 0.005 . . 104 130 ALA N 0.073 0.002 . . 105 131 GLY N 0.048 0.002 . . 106 132 TYR N 0.081 0.002 . . 107 133 GLY N 0.083 0.002 . . 108 134 GLN N 0.081 0.002 . . 109 135 PHE N 0.089 0.001 . . 110 137 HIS N 0.041 0.002 . . 111 138 LYS N 0.068 0.003 . . 112 140 ASP N 0.052 0.003 . . 113 141 SER N 0.073 0.003 . . 114 142 LEU N 0.075 0.003 . . 115 144 ALA N 0.073 0.002 . . 116 145 LYS N 0.075 0.002 . . 117 146 PHE N 0.077 0.002 . . 118 147 LYS N 0.074 0.003 . . 119 148 GLU N 0.081 0.002 . . 120 149 ALA N 0.079 0.002 . . 121 151 GLY N 0.080 0.003 . . 122 152 THR N 0.076 0.003 . . 123 153 VAL N 0.081 0.002 . . 124 154 ARG N 0.080 0.003 . . 125 155 GLU N 0.133 0.020 . . 126 156 ILE N 0.225 0.020 . . 127 157 ASP N 0.289 0.020 . . 128 158 VAL N 0.595 0.050 . . stop_ save_ save_heteronuclear_T2_list_2 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 750 _T2_coherence_type S(+,-) _T2_value_units s _Mol_system_component_name lambda_lysozyme _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 3 GLU N 0.068 0.001 . . 2 4 ILE N 0.072 0.001 . . 3 5 ASN N 0.072 0.003 . . 4 6 ASN N 0.055 0.003 . . 5 7 GLN N 0.055 0.001 . . 6 8 ARG N 0.054 0.002 . . 7 9 LYS N 0.051 0.002 . . 8 10 ALA N 0.050 0.001 . . 9 11 PHE N 0.054 0.002 . . 10 12 LEU N 0.053 0.002 . . 11 14 MET N 0.062 0.002 . . 12 15 LEU N 0.057 0.002 . . 13 16 ALA N 0.051 0.001 . . 14 17 TRP N 0.051 0.001 . . 15 18 SER N 0.051 0.003 . . 16 19 GLU N 0.055 0.002 . . 17 20 GLY N 0.048 0.002 . . 18 21 THR N 0.047 0.002 . . 19 22 ASP N 0.055 0.001 . . 20 24 GLY N 0.053 0.002 . . 21 25 ARG N 0.061 0.001 . . 22 26 GLN N 0.065 0.002 . . 23 27 LYS N 0.064 0.002 . . 24 28 THR N 0.071 0.001 . . 25 29 ARG N 0.056 0.003 . . 26 30 ASN N 0.055 0.002 . . 27 31 HIS N 0.051 0.002 . . 28 32 GLY N 0.050 0.004 . . 29 35 VAL N 0.049 0.001 . . 30 36 ILE N 0.051 0.004 . . 31 37 VAL N 0.052 0.002 . . 32 39 GLY N 0.050 0.002 . . 33 40 GLU N 0.057 0.001 . . 34 42 PHE N 0.048 0.002 . . 35 43 THR N 0.055 0.003 . . 36 44 ASP N 0.071 0.002 . . 37 45 TYR N 0.062 0.002 . . 38 46 SER N 0.050 0.001 . . 39 47 ASP N 0.058 0.001 . . 40 48 HIS N 0.122 0.006 . . 41 50 ARG N 0.047 0.013 . . 42 51 LYS N 0.052 0.001 . . 43 52 LEU N 0.041 0.002 . . 44 53 VAL N 0.031 0.003 . . 45 55 LEU N 0.032 0.004 . . 46 58 LYS N 0.070 0.001 . . 47 59 LEU N 0.065 0.001 . . 48 60 LYS N 0.054 0.001 . . 49 62 THR N 0.057 0.003 . . 50 63 GLY N 0.053 0.002 . . 51 65 GLY N 0.046 0.004 . . 52 66 ARG N 0.050 0.004 . . 53 67 TYR N 0.055 0.002 . . 54 69 LEU N 0.062 0.003 . . 55 70 LEU N 0.043 0.004 . . 56 71 SER N 0.052 0.002 . . 57 72 ARG N 0.051 0.001 . . 58 73 TRP N 0.054 0.001 . . 59 74 TRP N 0.052 0.002 . . 60 75 ASP N 0.057 0.001 . . 61 76 ALA N 0.055 0.001 . . 62 77 TYR N 0.060 0.001 . . 63 78 ARG N 0.053 0.001 . . 64 79 LYS N 0.057 0.001 . . 65 81 LEU N 0.066 0.002 . . 66 82 GLY N 0.056 0.001 . . 67 83 LEU N 0.059 0.001 . . 68 84 LYS N 0.056 0.002 . . 69 85 ASP N 0.060 0.001 . . 70 87 SER N 0.057 0.002 . . 71 89 LYS N 0.063 0.001 . . 72 90 SER N 0.051 0.001 . . 73 91 GLN N 0.050 0.002 . . 74 92 ASP N 0.050 0.001 . . 75 93 ALA N 0.052 0.001 . . 76 95 ALA N 0.052 0.001 . . 77 96 LEU N 0.062 0.002 . . 78 97 GLN N 0.051 0.001 . . 79 98 GLN N 0.054 0.002 . . 80 99 ILE N 0.066 0.003 . . 81 101 GLU N 0.052 0.002 . . 82 102 ARG N 0.052 0.001 . . 83 103 GLY N 0.059 0.001 . . 84 104 ALA N 0.047 0.002 . . 85 105 LEU N 0.051 0.001 . . 86 107 MET N 0.054 0.002 . . 87 108 ILE N 0.059 0.001 . . 88 109 ASP N 0.052 0.002 . . 89 110 ARG N 0.052 0.001 . . 90 112 ASP N 0.065 0.002 . . 91 113 ILE N 0.054 0.002 . . 92 115 GLN N 0.055 0.002 . . 93 116 ALA N 0.050 0.001 . . 94 117 ILE N 0.055 0.001 . . 95 118 ASP N 0.048 0.002 . . 96 119 ARG N 0.046 0.001 . . 97 120 CYS N 0.048 0.002 . . 98 121 SER N 0.057 0.002 . . 99 122 ASN N 0.043 0.001 . . 100 124 TRP N 0.035 0.001 . . 101 126 SER N 0.053 0.002 . . 102 127 LEU N 0.033 0.002 . . 103 129 GLY N 0.055 0.002 . . 104 130 ALA N 0.056 0.003 . . 105 131 GLY N 0.028 0.002 . . 106 132 TYR N 0.048 0.001 . . 107 133 GLY N 0.053 0.001 . . 108 134 GLN N 0.054 0.002 . . 109 135 PHE N 0.063 0.001 . . 110 137 HIS N 0.023 0.002 . . 111 138 LYS N 0.043 0.002 . . 112 140 ASP N 0.028 0.004 . . 113 141 SER N 0.054 0.003 . . 114 142 LEU N 0.058 0.002 . . 115 144 ALA N 0.054 0.001 . . 116 145 LYS N 0.052 0.001 . . 117 146 PHE N 0.058 0.002 . . 118 147 LYS N 0.055 0.002 . . 119 148 GLU N 0.066 0.002 . . 120 149 ALA N 0.055 0.001 . . 121 151 GLY N 0.051 0.001 . . 122 152 THR N 0.058 0.003 . . 123 153 VAL N 0.066 0.002 . . 124 154 ARG N 0.054 0.002 . . 125 155 GLU N 0.101 0.001 . . 126 156 ILE N 0.180 0.001 . . 127 157 ASP N 0.217 0.001 . . 128 158 VAL N 0.506 0.002 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details 'the reported hetNOEs are the ratio of peak heights in spectra collected with and without 1H saturation' loop_ _Experiment_label '2D {1H}-15N heteronuclear NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name lambda_lysozyme _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 1.0 _NOE_reference_description 'Not sure what this means.See below for explanation of how the hetNOE ratio calculated.' _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 GLU 0.583 0.048 4 ILE 0.553 0.024 5 ASN 0.513 0.044 6 ASN 0.776 0.056 7 GLN 0.750 0.028 8 ARG 0.778 0.060 9 LYS 0.798 0.038 10 ALA 0.819 0.026 11 PHE 0.788 0.036 12 LEU 0.821 0.042 14 MET 0.783 0.034 15 LEU 0.671 0.030 16 ALA 0.784 0.028 17 TRP 0.770 0.034 18 SER 0.769 0.034 19 GLU 0.828 0.046 20 GLY 0.825 0.034 21 THR 0.813 0.036 22 ASP 0.825 0.036 24 GLY 0.810 0.034 25 ARG 0.798 0.032 26 GLN 0.756 0.034 27 LYS 0.810 0.030 28 THR 0.738 0.022 29 ARG 0.814 0.062 30 ASN 0.792 0.036 31 HIS 0.779 0.030 32 GLY 0.799 0.050 35 VAL 0.843 0.034 36 ILE 0.793 0.056 37 VAL 0.791 0.040 39 GLY 0.810 0.032 40 GLU 0.790 0.024 42 PHE 0.780 0.046 43 THR 0.803 0.046 44 ASP 0.776 0.036 45 TYR 0.811 0.038 46 SER 0.821 0.024 47 ASP 0.832 0.018 48 HIS 0.714 0.042 50 ARG 0.835 0.106 51 LYS 0.754 0.034 52 LEU 0.696 0.042 53 VAL 0.839 0.104 55 LEU 0.668 0.058 58 LYS 0.516 0.026 59 LEU 0.466 0.020 60 LYS 0.621 0.032 62 THR 0.809 0.056 63 GLY 0.792 0.044 65 GLY 0.774 0.054 66 ARG 0.819 0.068 67 TYR 0.777 0.048 69 LEU 0.771 0.044 70 LEU 0.866 0.060 71 SER 0.800 0.046 72 ARG 0.764 0.026 73 TRP 0.761 0.032 74 TRP 0.794 0.036 75 ASP 0.788 0.026 76 ALA 0.756 0.022 77 TYR 0.740 0.028 78 ARG 0.800 0.026 79 LYS 0.750 0.026 81 LEU 0.732 0.036 82 GLY 0.780 0.028 83 LEU 0.804 0.034 84 LYS 0.768 0.044 85 ASP 0.708 0.020 87 SER 0.792 0.032 89 LYS 0.758 0.022 90 SER 0.794 0.032 91 GLN 0.782 0.038 92 ASP 0.794 0.032 93 ALA 0.811 0.026 95 ALA 0.817 0.030 96 LEU 0.801 0.036 97 GLN 0.814 0.034 98 GLN 0.764 0.042 99 ILE 0.681 0.044 101 GLU 0.811 0.036 102 ARG 0.758 0.028 103 GLY 0.820 0.034 104 ALA 0.853 0.036 105 LEU 0.778 0.034 107 MET 0.814 0.032 108 ILE 0.804 0.048 109 ASP 0.774 0.028 110 ARG 0.808 0.032 112 ASP 0.770 0.034 113 ILE 0.782 0.040 115 GLN 0.786 0.030 116 ALA 0.801 0.030 117 ILE 0.793 0.040 118 ASP 0.801 0.030 119 ARG 0.748 0.036 120 CYS 0.750 0.036 121 SER 0.771 0.028 122 ASN 0.692 0.026 124 TRP 0.756 0.048 126 SER 0.772 0.036 127 LEU 0.787 0.032 129 GLY 0.645 0.084 130 ALA 0.655 0.032 131 GLY 0.544 0.032 132 TYR 0.578 0.022 133 GLY 0.504 0.022 134 GLN 0.550 0.028 135 PHE 0.553 0.018 137 HIS 0.671 0.040 138 LYS 0.674 0.038 140 ASP 0.804 0.050 141 SER 0.776 0.038 142 LEU 0.774 0.036 144 ALA 0.829 0.024 145 LYS 0.825 0.030 146 PHE 0.763 0.032 147 LYS 0.804 0.036 148 GLU 0.779 0.026 149 ALA 0.796 0.026 151 GLY 0.802 0.032 152 THR 0.819 0.048 153 VAL 0.782 0.034 154 ARG 0.718 0.036 155 GLU 0.405 0.140 156 ILE 0.050 0.100 157 ASP -0.237 0.080 158 VAL -0.844 0.100 stop_ save_ save_heteronuclear_noe_list_2 _Saveframe_category heteronuclear_NOE _Details 'the reported hetNOEs are the ratio of peak heights in spectra collected with and without 1H saturation' loop_ _Experiment_label '2D {1H}-15N heteronuclear NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 750 _Mol_system_component_name lambda_lysozyme _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 1.0 _NOE_reference_description 'Not sure what this means.See below for explanation of how the hetNOE ratio calculated.' _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 GLU 0.646 0.040 4 ILE 0.646 0.020 5 ASN 0.568 0.052 6 ASN 0.863 0.052 7 GLN 0.837 0.024 8 ARG 0.842 0.046 9 LYS 0.843 0.034 10 ALA 0.836 0.022 11 PHE 0.919 0.032 12 LEU 0.860 0.028 14 MET 0.863 0.032 15 LEU 0.796 0.030 16 ALA 0.842 0.026 17 TRP 0.874 0.028 18 SER 0.857 0.040 19 GLU 0.867 0.046 20 GLY 0.908 0.034 21 THR 0.863 0.032 22 ASP 0.839 0.026 24 GLY 0.839 0.036 25 ARG 0.795 0.024 26 GLN 0.798 0.028 27 LYS 0.811 0.032 28 THR 0.799 0.018 29 ARG 0.853 0.066 30 ASN 0.850 0.032 31 HIS 0.844 0.032 32 GLY 0.844 0.058 35 VAL 0.861 0.028 36 ILE 0.821 0.060 37 VAL 0.834 0.034 39 GLY 0.833 0.032 40 GLU 0.854 0.022 42 PHE 0.849 0.038 43 THR 0.850 0.046 44 ASP 0.806 0.030 45 TYR 0.823 0.032 46 SER 0.876 0.026 47 ASP 0.879 0.016 48 HIS 0.892 0.058 50 ARG 0.807 0.126 51 LYS 0.792 0.030 52 LEU 0.724 0.046 53 VAL 0.777 0.202 55 LEU 0.606 0.068 58 LYS 0.525 0.022 59 LEU 0.539 0.016 60 LYS 0.667 0.028 62 THR 0.815 0.048 63 GLY 0.826 0.040 65 GLY 0.832 0.056 66 ARG 0.823 0.054 67 TYR 0.829 0.040 69 LEU 0.837 0.032 70 LEU 0.838 0.062 71 SER 0.804 0.044 72 ARG 0.861 0.022 73 TRP 0.818 0.026 74 TRP 0.838 0.032 75 ASP 0.826 0.024 76 ALA 0.837 0.020 77 TYR 0.810 0.026 78 ARG 0.855 0.028 79 LYS 0.782 0.022 81 LEU 0.801 0.030 82 GLY 0.841 0.028 83 LEU 0.816 0.024 84 LYS 0.750 0.040 85 ASP 0.729 0.016 87 SER 0.842 0.030 89 LYS 0.832 0.022 90 SER 0.858 0.024 91 GLN 0.877 0.036 92 ASP 0.844 0.030 93 ALA 0.848 0.022 95 ALA 0.869 0.024 96 LEU 0.858 0.032 97 GLN 0.866 0.028 98 GLN 0.833 0.034 99 ILE 0.872 0.042 101 GLU 0.856 0.034 102 ARG 0.831 0.024 103 GLY 0.835 0.032 104 ALA 0.832 0.028 105 LEU 0.838 0.032 107 MET 0.815 0.028 108 ILE 0.858 0.038 109 ASP 0.874 0.030 110 ARG 0.817 0.026 112 ASP 0.843 0.036 113 ILE 0.848 0.034 115 GLN 0.853 0.032 116 ALA 0.829 0.022 117 ILE 0.864 0.042 118 ASP 0.845 0.028 119 ARG 0.854 0.040 120 CYS 0.824 0.032 121 SER 0.855 0.028 122 ASN 0.765 0.026 124 TRP 0.780 0.046 126 SER 0.834 0.038 127 LEU 0.846 0.030 129 GLY 0.659 0.158 130 ALA 0.710 0.050 131 GLY 0.638 0.048 132 TYR 0.625 0.018 133 GLY 0.591 0.024 134 GLN 0.621 0.028 135 PHE 0.623 0.016 137 HIS 0.770 0.048 138 LYS 0.712 0.048 140 ASP 0.745 0.090 141 SER 0.843 0.046 142 LEU 0.788 0.034 144 ALA 0.842 0.022 145 LYS 0.859 0.024 146 PHE 0.863 0.032 147 LYS 0.830 0.034 148 GLU 0.827 0.026 149 ALA 0.813 0.022 151 GLY 0.870 0.030 152 THR 0.810 0.038 153 VAL 0.800 0.034 154 ARG 0.766 0.038 155 GLU 0.496 0.120 156 ILE 0.350 0.060 157 ASP 0.111 0.060 158 VAL -0.313 0.040 stop_ save_