data_18116 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; backbone and sidechain order parameters for ubiquitin at 1, 400, 800, 1200, 1600 and 2500 bar ; _BMRB_accession_number 18116 _BMRB_flat_file_name bmr18116.str _Entry_type original _Submission_date 2011-12-01 _Accession_date 2011-12-01 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fu Yinan . . 2 Kasinath Vignesh . . 3 Moorman Veronica R. . 4 Nucci Nathaniel V. . 5 Hilser Vincent J. . 6 Wand A J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count S2_parameters 12 stop_ loop_ _Data_type _Data_type_count "order parameters" 546 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-29 original BMRB . stop_ _Original_release_date 2011-12-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Coupled motion in proteins revealed by pressure perturbation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22452540 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fu Yinan . . 2 Kasinath Vignesh . . 3 Moorman Veronica R. . 4 Nucci Nathaniel V. . 5 Hilser Vincent J. . 6 Wand 'A Joshua' J. . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_name_full 'Journal of the American Chemical Society' _Journal_volume 134 _Journal_issue 20 _Journal_ISSN 1520-5126 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8543 _Page_last 8550 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ubiquitin monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ubiquitin $ubiquitin 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_ubiquitin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ubiquitin _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 ILE 4 PHE 5 VAL 6 LYS 7 THR 8 LEU 9 THR 10 GLY 11 LYS 12 THR 13 ILE 14 THR 15 LEU 16 GLU 17 VAL 18 GLU 19 PRO 20 SER 21 ASP 22 THR 23 ILE 24 GLU 25 ASN 26 VAL 27 LYS 28 ALA 29 LYS 30 ILE 31 GLN 32 ASP 33 LYS 34 GLU 35 GLY 36 ILE 37 PRO 38 PRO 39 ASP 40 GLN 41 GLN 42 ARG 43 LEU 44 ILE 45 PHE 46 ALA 47 GLY 48 LYS 49 GLN 50 LEU 51 GLU 52 ASP 53 GLY 54 ARG 55 THR 56 LEU 57 SER 58 ASP 59 TYR 60 ASN 61 ILE 62 GLN 63 LYS 64 GLU 65 SER 66 THR 67 LEU 68 HIS 69 LEU 70 VAL 71 LEU 72 ARG 73 LEU 74 ARG 75 GLY 76 GLY 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 $ubiquitin Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $ubiquitin 'recombinant technology' . Escherichia coli . pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'The sample contained 1.2 mM 100%13C-55%2H labeled and 0.8 mM 100%15N labeled ubiquitin' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ubiquitin 1.2 mM '[U-100% 13C; U-55% 2H]' $ubiquitin 0.8 mM '[U-100% 15N]' 'sodium chloride' 50 mM 'natural abundance' 'sodium acetate' 50 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 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_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N_relaxation_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N relaxation' _Sample_label $sample_1 save_ save_2H_relaxation_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2H relaxation' _Sample_label $sample_1 save_ save_15N_relaxation_3 _Saveframe_category NMR_applied_experiment _Experiment_name '15N relaxation' _Sample_label $sample_1 save_ save_2H_relaxation_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2H relaxation' _Sample_label $sample_1 save_ save_15N_relaxation_5 _Saveframe_category NMR_applied_experiment _Experiment_name '15N relaxation' _Sample_label $sample_1 save_ save_2H_relaxation_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2H relaxation' _Sample_label $sample_1 save_ save_15N_relaxation_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N relaxation' _Sample_label $sample_1 save_ save_2H_relaxation_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2H relaxation' _Sample_label $sample_1 save_ save_15N_relaxation_9 _Saveframe_category NMR_applied_experiment _Experiment_name '15N relaxation' _Sample_label $sample_1 save_ save_2H_relaxation_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2H relaxation' _Sample_label $sample_1 save_ save_15N_relaxation_11 _Saveframe_category NMR_applied_experiment _Experiment_name '15N relaxation' _Sample_label $sample_1 save_ save_2H_relaxation_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2H relaxation' _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 'ionic strength' 100 . mM pH 5.0 . pH pressure 1 . bar temperature 273 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 5.0 . pH pressure 400 . bar temperature 273 . K stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 5.0 . pH pressure 800 . bar temperature 273 . K stop_ save_ save_sample_conditions_4 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 5.0 . pH pressure 1200 . bar temperature 273 . K stop_ save_ save_sample_conditions_5 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 5.0 . pH pressure 1600 . bar temperature 273 . K stop_ save_ save_sample_conditions_6 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 5.0 . pH pressure 2500 . bar temperature 273 . K stop_ save_ save_order_parameter_list_1 _Saveframe_category S2_parameters _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Mol_system_component_name ubiquitin _Tau_e_value_units . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 2 GLN N . 0.849 0.007 4.26E-11 1.10E-11 . . . . . . . . . . 3 ILE N . 0.901 0.006 6.76E-11 2.19E-11 . . . . . . . . . . 4 PHE N . 0.925 0.006 4.98E-10 4.16E-11 . . . . . . . . . . 5 VAL N . 0.838 0.005 7.60E-12 1.49E-11 . . . . . . . . . . 6 LYS N . 0.786 0.011 2.60E-12 2.37E-11 . . . . . . . . . . 7 THR N . 0.865 0.004 1.01E-11 1.59E-12 . . . . . . . . . . 8 LEU N . 0.808 0.004 3.01E-11 3.95E-12 . . . . . . . . . . 9 THR N . 0.759 0.008 5.76E-11 3.51E-12 . . . . . . . . . . 10 GLY N . 0.750 0.006 4.26E-11 1.89E-12 . . . . . . . . . . 11 LYS N . 0.696 0.008 7.51E-11 3.35E-12 . . . . . . . . . . 12 THR N . 0.767 0.005 3.76E-11 1.20E-12 . . . . . . . . . . 13 ILE N . 0.849 0.006 3.26E-11 4.02E-12 . . . . . . . . . . 14 THR N . 0.838 0.005 2.26E-11 1.48E-12 . . . . . . . . . . 15 LEU N . 0.854 0.002 5.10E-12 3.04E-12 . . . . . . . . . . 17 VAL N . 0.895 0.004 4.26E-11 4.70E-12 . . . . . . . . . . 18 GLU N . 0.860 0.001 3.76E-11 3.24E-12 . . . . . . . . . . 20 SER N . 0.860 0.002 4.01E-11 2.82E-12 . . . . . . . . . . 22 THR N . 0.865 0.004 4.01E-11 5.40E-12 . . . . . . . . . . 23 ILE N . 0.969 0.009 2.00E-10 1.48E-11 . . . . . . . . . . 26 VAL N . 0.901 0.004 2.26E-11 1.52E-11 . . . . . . . . . . 27 LYS N . 0.909 0.005 8.51E-11 1.69E-11 . . . . . . . . . . 29 LYS N . 0.939 0.003 3.26E-11 3.57E-12 . . . . . . . . . . 30 ILE N . 0.901 0.004 2.76E-11 8.14E-12 . . . . . . . . . . 32 ASP N . 0.912 0.002 3.76E-11 2.85E-12 . . . . . . . . . . 33 LYS N . 0.928 0.005 1.00E-13 6.81E-12 . . . . . . . . . . 34 GLU N . 0.838 0.005 2.26E-11 1.23E-12 . . . . . . . . . . 35 GLY N . 0.887 0.004 2.26E-11 3.06E-12 . . . . . . . . . . 36 ILE N . 0.797 0.006 1.76E-11 2.02E-12 . . . . . . . . . . 39 ASP N . 0.871 0.002 1.51E-11 1.07E-12 . . . . . . . . . . 40 GLN N . 0.882 0.004 2.26E-11 2.01E-12 . . . . . . . . . . 41 GLN N . 0.882 0.002 3.26E-11 1.75E-12 . . . . . . . . . . 44 ILE N . 0.851 0.002 1.01E-11 1.34E-12 . . . . . . . . . . 46 ALA N . 0.857 0.003 1.76E-11 1.68E-12 . . . . . . . . . . 47 GLY N . 0.838 0.004 1.00E-13 3.26E-12 . . . . . . . . . . 49 GLN N . 0.764 0.006 6.01E-11 3.71E-12 . . . . . . . . . . 50 LEU N . 0.868 0.004 1.51E-11 3.72E-12 . . . . . . . . . . 52 ASP N . 0.810 0.007 1.01E-11 2.63E-12 . . . . . . . . . . 54 ARG N . 0.857 0.005 2.26E-11 1.28E-12 . . . . . . . . . . 55 THR N . 0.884 0.005 2.76E-11 2.47E-12 . . . . . . . . . . 56 LEU N . 0.928 0.005 1.00E-13 2.46E-12 . . . . . . . . . . 57 SER N . 0.898 0.002 1.00E-13 2.07E-12 . . . . . . . . . . 58 ASP N . 0.925 0.004 1.00E-13 1.96E-12 . . . . . . . . . . 59 TYR N . 0.849 0.004 3.26E-11 2.31E-12 . . . . . . . . . . 60 ASN N . 0.884 0.003 5.10E-12 5.28E-12 . . . . . . . . . . 62 GLN N . 0.731 0.010 5.26E-11 2.44E-12 . . . . . . . . . . 63 LYS N . 0.827 0.006 4.01E-11 3.14E-12 . . . . . . . . . . 64 GLU N . 0.892 0.011 2.26E-11 3.35E-12 . . . . . . . . . . 65 SER N . 0.871 0.003 2.01E-11 2.59E-12 . . . . . . . . . . 66 THR N . 0.857 0.003 1.00E-13 2.98E-12 . . . . . . . . . . 67 LEU N . 0.868 0.002 2.01E-11 1.43E-12 . . . . . . . . . . 68 HIS N . 0.873 0.002 1.51E-11 1.68E-12 . . . . . . . . . . 70 VAL N . 0.906 0.004 3.26E-11 5.16E-12 . . . . . . . . . . stop_ _Tau_s_value_units . save_ save_order_parameter_list_2 _Saveframe_category S2_parameters _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Mol_system_component_name ubiquitin _Tau_e_value_units . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 3 ILE CG2 . 0.818 0.006 3.51E-11 2.26E-12 . . . . . . . . . . 3 ILE CD1 . 0.651 0.014 1.01E-11 8.11E-13 . . . . . . . . . . 5 VAL CG1 . 0.754 0.024 3.26E-11 4.67E-13 . . . . . . . . . . 5 VAL CG2 . 0.736 0.010 2.01E-11 2.11E-12 . . . . . . . . . . 7 THR CG2 . 0.734 0.005 3.76E-11 4.11E-13 . . . . . . . . . . 8 LEU CD1 . 0.209 0.002 4.01E-11 1.27E-12 . . . . . . . . . . 9 THR CG2 . 0.586 0.035 3.01E-11 1.99E-13 . . . . . . . . . . 13 ILE CG2 . 0.514 0.020 3.51E-11 8.18E-13 . . . . . . . . . . 13 ILE CD1 . 0.475 0.012 2.01E-11 1.19E-12 . . . . . . . . . . 14 THR CG2 . 0.614 0.013 4.51E-11 7.58E-13 . . . . . . . . . . 15 LEU CD1 . 0.457 0.002 3.51E-11 1.23E-12 . . . . . . . . . . 15 LEU CD2 . 0.449 0.018 2.76E-11 1.58E-12 . . . . . . . . . . 17 VAL CG1 . 0.764 0.003 3.76E-11 4.36E-13 . . . . . . . . . . 17 VAL CG2 . 0.750 0.003 6.26E-11 3.34E-12 . . . . . . . . . . 22 THR CG2 . 0.802 0.022 3.01E-11 4.34E-13 . . . . . . . . . . 23 ILE CG2 . 0.748 0.033 2.51E-11 3.06E-12 . . . . . . . . . . 23 ILE CD1 . 0.455 0.016 2.51E-11 1.24E-12 . . . . . . . . . . 26 VAL CG1 . 0.756 0.007 3.51E-11 4.39E-13 . . . . . . . . . . 30 ILE CG2 . 0.830 0.010 2.51E-11 3.13E-12 . . . . . . . . . . 30 ILE CD1 . 0.685 0.004 1.26E-11 7.76E-13 . . . . . . . . . . 36 ILE CG2 . 0.740 0.002 6.26E-11 1.96E-12 . . . . . . . . . . 36 ILE CD1 . 0.477 0.003 2.01E-11 1.01E-13 . . . . . . . . . . 43 LEU CD1 . 0.568 0.009 4.76E-11 1.02E-12 . . . . . . . . . . 43 LEU CD2 . 0.449 0.027 3.01E-11 6.73E-13 . . . . . . . . . . 44 ILE CG2 . 0.629 0.005 3.51E-11 1.40E-12 . . . . . . . . . . 44 ILE CD1 . 0.195 0.048 2.26E-11 4.24E-13 . . . . . . . . . . 46 ALA CB . 0.780 0.005 1.76E-11 7.58E-13 . . . . . . . . . . 50 LEU CD1 . 0.693 0.013 2.76E-11 2.01E-12 . . . . . . . . . . 50 LEU CD2 . 0.671 0.007 1.76E-11 1.17E-12 . . . . . . . . . . 56 LEU CD1 . 0.534 0.007 5.26E-11 2.18E-12 . . . . . . . . . . 56 LEU CD2 . 0.524 0.007 2.51E-11 4.12E-13 . . . . . . . . . . 61 ILE CG2 . 0.719 0.016 2.26E-11 9.32E-13 . . . . . . . . . . 61 ILE CD1 . 0.505 0.025 2.01E-11 4.66E-13 . . . . . . . . . . 67 LEU CD1 . 0.243 0.037 4.76E-11 1.70E-12 . . . . . . . . . . 67 LEU CD2 . 0.233 0.022 4.01E-11 4.52E-13 . . . . . . . . . . 69 LEU CD2 . 0.526 0.012 3.26E-11 1.59E-12 . . . . . . . . . . 70 VAL CG2 . 0.336 0.034 6.26E-11 2.25E-12 . . . . . . . . . . 71 LEU CD1 . 0.233 0.002 4.26E-11 2.05E-13 . . . . . . . . . . 73 LEU CD1 . 0.108 0.029 3.76E-11 5.40E-13 . . . . . . . . . . 73 LEU CD2 . 0.144 0.011 3.26E-11 5.62E-13 . . . . . . . . . . stop_ _Tau_s_value_units . save_ save_order_parameter_list_3 _Saveframe_category S2_parameters _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_2 _Mol_system_component_name ubiquitin _Tau_e_value_units . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 2 GLN N . 0.860 0.008 8.51E-11 1.20E-11 . . . . . . . . . . 3 ILE N . 0.903 0.008 2.76E-11 1.36E-11 . . . . . . . . . . 5 VAL N . 0.819 0.005 2.60E-12 6.69E-12 . . . . . . . . . . 6 LYS N . 0.832 0.006 7.60E-12 7.36E-12 . . . . . . . . . . 7 THR N . 0.862 0.005 2.26E-11 1.64E-12 . . . . . . . . . . 8 LEU N . 0.808 0.006 2.76E-11 7.19E-12 . . . . . . . . . . 9 THR N . 0.750 0.008 6.26E-11 2.78E-12 . . . . . . . . . . 10 GLY N . 0.693 0.012 4.26E-11 4.26E-12 . . . . . . . . . . 11 LYS N . 0.728 0.006 5.51E-11 2.10E-12 . . . . . . . . . . 12 THR N . 0.769 0.007 5.76E-11 2.31E-12 . . . . . . . . . . 13 ILE N . 0.860 0.008 3.76E-11 3.26E-12 . . . . . . . . . . 14 THR N . 0.846 0.006 1.76E-11 3.58E-12 . . . . . . . . . . 15 LEU N . 0.873 0.003 1.00E-13 3.52E-12 . . . . . . . . . . 17 VAL N . 0.892 0.003 8.01E-11 8.23E-12 . . . . . . . . . . 20 SER N . 0.849 0.006 4.01E-11 4.29E-12 . . . . . . . . . . 21 ASP N . 0.931 0.005 1.00E-13 1.39E-11 . . . . . . . . . . 22 THR N . 0.860 0.004 1.01E-11 6.08E-12 . . . . . . . . . . 23 ILE N . 0.974 0.006 2.75E-10 2.35E-11 . . . . . . . . . . 26 VAL N . 0.898 0.006 1.01E-11 2.26E-11 . . . . . . . . . . 27 LYS N . 0.950 0.004 1.00E-13 2.08E-11 . . . . . . . . . . 28 ALA N . 0.950 0.004 2.76E-11 5.33E-12 . . . . . . . . . . 29 LYS N . 0.895 0.005 5.10E-12 1.83E-11 . . . . . . . . . . 30 ILE N . 0.917 0.003 3.51E-11 6.69E-12 . . . . . . . . . . 32 ASP N . 0.928 0.004 4.26E-11 9.67E-12 . . . . . . . . . . 33 LYS N . 0.851 0.005 1.00E-13 5.59E-12 . . . . . . . . . . 34 GLU N . 0.851 0.005 2.60E-12 2.41E-12 . . . . . . . . . . 35 GLY N . 0.909 0.005 2.26E-11 1.08E-11 . . . . . . . . . . 36 ILE N . 0.802 0.007 1.00E-13 1.68E-12 . . . . . . . . . . 39 ASP N . 0.895 0.002 7.60E-12 2.54E-12 . . . . . . . . . . 40 GLN N . 0.892 0.006 2.76E-11 1.97E-12 . . . . . . . . . . 41 GLN N . 0.876 0.002 3.01E-11 4.90E-12 . . . . . . . . . . 44 ILE N . 0.871 0.002 5.10E-12 8.80E-12 . . . . . . . . . . 46 ALA N . 0.895 0.005 3.01E-11 6.62E-12 . . . . . . . . . . 47 GLY N . 0.854 0.003 1.76E-11 1.14E-11 . . . . . . . . . . 49 GLN N . 0.783 0.006 7.76E-11 4.72E-12 . . . . . . . . . . 50 LEU N . 0.862 0.003 2.26E-11 1.46E-11 . . . . . . . . . . 52 ASP N . 0.802 0.006 2.51E-11 1.73E-12 . . . . . . . . . . 54 ARG N . 0.876 0.004 1.00E-13 2.12E-12 . . . . . . . . . . 55 THR N . 0.901 0.007 3.01E-11 1.75E-12 . . . . . . . . . . 56 LEU N . 0.936 0.005 3.51E-11 2.99E-12 . . . . . . . . . . 57 SER N . 0.895 0.002 1.00E-13 2.32E-12 . . . . . . . . . . 58 ASP N . 0.903 0.003 1.00E-13 3.54E-12 . . . . . . . . . . 59 TYR N . 0.865 0.003 1.01E-11 2.05E-12 . . . . . . . . . . 60 ASN N . 0.903 0.004 2.51E-11 3.95E-12 . . . . . . . . . . 62 GLN N . 0.750 0.013 6.76E-11 5.79E-12 . . . . . . . . . . 63 LYS N . 0.862 0.004 2.01E-11 1.75E-12 . . . . . . . . . . 64 GLU N . 0.906 0.009 2.51E-11 3.89E-12 . . . . . . . . . . 65 SER N . 0.890 0.004 1.00E-13 6.19E-12 . . . . . . . . . . 66 THR N . 0.841 0.004 1.00E-13 3.19E-12 . . . . . . . . . . 67 LEU N . 0.868 0.002 2.26E-11 3.46E-12 . . . . . . . . . . 68 HIS N . 0.879 0.004 7.60E-12 3.97E-12 . . . . . . . . . . 70 VAL N . 0.923 0.005 1.15E-10 7.51E-12 . . . . . . . . . . 71 LEU N . 0.862 0.005 7.51E-11 6.47E-12 . . . . . . . . . . stop_ _Tau_s_value_units . save_ save_order_parameter_list_4 _Saveframe_category S2_parameters _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_2 _Mol_system_component_name ubiquitin _Tau_e_value_units . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 3 ILE CG2 . 0.835 0.052 3.51E-11 2.13E-13 . . . . . . . . . . 3 ILE CD1 . 0.663 0.040 1.01E-11 2.05E-12 . . . . . . . . . . 5 VAL CG1 . 0.768 0.008 3.26E-11 1.82E-12 . . . . . . . . . . 5 VAL CG2 . 0.750 0.008 2.01E-11 1.17E-12 . . . . . . . . . . 7 THR CG2 . 0.707 0.006 4.01E-11 7.10E-13 . . . . . . . . . . 8 LEU CD1 . 0.235 0.041 4.01E-11 1.61E-12 . . . . . . . . . . 9 THR CG2 . 0.576 0.011 3.01E-11 7.71E-13 . . . . . . . . . . 13 ILE CG2 . 0.568 0.012 3.26E-11 4.02E-13 . . . . . . . . . . 13 ILE CD1 . 0.493 0.007 2.01E-11 8.14E-13 . . . . . . . . . . 14 THR CG2 . 0.633 0.011 4.51E-11 2.00E-12 . . . . . . . . . . 15 LEU CD1 . 0.443 0.010 3.51E-11 2.43E-13 . . . . . . . . . . 15 LEU CD2 . 0.463 0.015 2.76E-11 1.40E-12 . . . . . . . . . . 17 VAL CG1 . 0.800 0.028 3.51E-11 4.35E-13 . . . . . . . . . . 17 VAL CG2 . 0.750 0.023 6.51E-11 3.03E-12 . . . . . . . . . . 22 THR CG2 . 0.867 0.007 2.76E-11 5.98E-13 . . . . . . . . . . 23 ILE CG2 . 0.760 0.008 2.51E-11 3.34E-13 . . . . . . . . . . 23 ILE CD1 . 0.485 0.022 2.51E-11 3.15E-12 . . . . . . . . . . 26 VAL CG1 . 0.762 0.022 3.51E-11 8.45E-13 . . . . . . . . . . 30 ILE CG2 . 0.841 0.007 2.51E-11 8.61E-13 . . . . . . . . . . 30 ILE CD1 . 0.699 0.006 1.26E-11 1.02E-12 . . . . . . . . . . 36 ILE CG2 . 0.728 0.011 6.26E-11 3.15E-12 . . . . . . . . . . 36 ILE CD1 . 0.493 0.018 2.01E-11 6.09E-13 . . . . . . . . . . 43 LEU CD1 . 0.554 0.006 5.01E-11 2.44E-12 . . . . . . . . . . 43 LEU CD2 . 0.441 0.022 3.26E-11 2.50E-12 . . . . . . . . . . 44 ILE CG2 . 0.649 0.018 3.51E-11 4.32E-13 . . . . . . . . . . 44 ILE CD1 . 0.201 0.030 2.26E-11 2.27E-12 . . . . . . . . . . 46 ALA CB . 0.790 0.048 1.76E-11 5.96E-13 . . . . . . . . . . 50 LEU CD1 . 0.689 0.005 2.76E-11 6.71E-13 . . . . . . . . . . 50 LEU CD2 . 0.695 0.008 1.76E-11 5.23E-13 . . . . . . . . . . 56 LEU CD1 . 0.546 0.012 5.51E-11 3.02E-12 . . . . . . . . . . 56 LEU CD2 . 0.550 0.021 2.26E-11 8.89E-13 . . . . . . . . . . 61 ILE CG2 . 0.762 0.019 2.01E-11 3.65E-13 . . . . . . . . . . 61 ILE CD1 . 0.536 0.004 2.01E-11 2.72E-12 . . . . . . . . . . 67 LEU CD1 . 0.259 0.024 5.01E-11 2.50E-12 . . . . . . . . . . 67 LEU CD2 . 0.257 0.040 4.01E-11 1.62E-12 . . . . . . . . . . 69 LEU CD2 . 0.546 0.023 3.26E-11 1.38E-12 . . . . . . . . . . 70 VAL CG2 . 0.368 0.011 6.51E-11 2.05E-12 . . . . . . . . . . 71 LEU CD1 . 0.241 0.023 4.26E-11 7.31E-13 . . . . . . . . . . 73 LEU CD1 . 0.116 0.022 3.76E-11 2.15E-12 . . . . . . . . . . 73 LEU CD2 . 0.156 0.011 3.26E-11 7.97E-13 . . . . . . . . . . stop_ _Tau_s_value_units . save_ save_order_parameter_list_5 _Saveframe_category S2_parameters _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_3 _Mol_system_component_name ubiquitin _Tau_e_value_units . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 2 GLN N . 0.862 0.002 9.01E-11 4.80E-12 . . . . . . . . . . 3 ILE N . 0.895 0.006 2.01E-11 3.76E-12 . . . . . . . . . . 5 VAL N . 0.849 0.003 7.60E-12 3.07E-12 . . . . . . . . . . 6 LYS N . 0.756 0.011 1.76E-11 6.76E-12 . . . . . . . . . . 7 THR N . 0.865 0.003 1.76E-11 2.89E-12 . . . . . . . . . . 8 LEU N . 0.849 0.004 3.76E-11 1.34E-12 . . . . . . . . . . 9 THR N . 0.783 0.005 7.01E-11 2.58E-12 . . . . . . . . . . 10 GLY N . 0.778 0.002 4.76E-11 1.42E-12 . . . . . . . . . . 11 LYS N . 0.742 0.007 8.01E-11 4.57E-12 . . . . . . . . . . 12 THR N . 0.775 0.005 4.51E-11 2.52E-12 . . . . . . . . . . 14 THR N . 0.871 0.004 1.00E-13 2.83E-12 . . . . . . . . . . 15 LEU N . 0.868 0.003 1.00E-13 6.39E-12 . . . . . . . . . . 17 VAL N . 0.903 0.004 7.76E-11 1.23E-11 . . . . . . . . . . 20 SER N . 0.860 0.004 3.26E-11 1.30E-11 . . . . . . . . . . 21 ASP N . 0.964 0.006 4.98E-10 4.03E-11 . . . . . . . . . . 22 THR N . 0.892 0.005 3.26E-11 1.32E-11 . . . . . . . . . . 23 ILE N . 0.964 0.007 2.80E-10 2.13E-11 . . . . . . . . . . 26 VAL N . 0.892 0.003 1.51E-11 1.41E-11 . . . . . . . . . . 27 LYS N . 0.865 0.005 3.51E-11 1.53E-11 . . . . . . . . . . 28 ALA N . 0.939 0.005 6.01E-11 2.02E-11 . . . . . . . . . . 29 LYS N . 0.862 0.007 5.51E-11 1.54E-11 . . . . . . . . . . 30 ILE N . 0.909 0.003 4.26E-11 4.01E-12 . . . . . . . . . . 32 ASP N . 0.912 0.003 7.60E-12 4.31E-12 . . . . . . . . . . 33 LYS N . 0.832 0.008 1.51E-11 5.03E-12 . . . . . . . . . . 34 GLU N . 0.849 0.004 5.10E-12 1.03E-12 . . . . . . . . . . 35 GLY N . 0.923 0.006 1.00E-13 2.16E-12 . . . . . . . . . . 36 ILE N . 0.797 0.008 1.26E-11 1.96E-12 . . . . . . . . . . 39 ASP N . 0.898 0.004 7.60E-12 3.77E-12 . . . . . . . . . . 40 GLN N . 0.898 0.003 5.51E-11 3.34E-12 . . . . . . . . . . 41 GLN N . 0.882 0.002 3.51E-11 2.36E-12 . . . . . . . . . . 44 ILE N . 0.862 0.002 1.00E-13 2.48E-12 . . . . . . . . . . 46 ALA N . 0.862 0.004 1.76E-11 1.86E-12 . . . . . . . . . . 47 GLY N . 0.841 0.002 5.10E-12 2.49E-12 . . . . . . . . . . 49 GLN N . 0.761 0.008 5.76E-11 3.00E-12 . . . . . . . . . . 50 LEU N . 0.865 0.004 4.76E-11 2.54E-12 . . . . . . . . . . 52 ASP N . 0.808 0.007 2.76E-11 2.36E-12 . . . . . . . . . . 54 ARG N . 0.887 0.004 1.00E-13 3.61E-12 . . . . . . . . . . 55 THR N . 0.912 0.003 3.51E-11 2.83E-12 . . . . . . . . . . 56 LEU N . 0.936 0.002 3.26E-11 2.92E-12 . . . . . . . . . . 57 SER N . 0.912 0.003 1.00E-13 1.82E-12 . . . . . . . . . . 58 ASP N . 0.923 0.003 1.00E-13 2.10E-12 . . . . . . . . . . 59 TYR N . 0.854 0.006 1.76E-11 2.07E-12 . . . . . . . . . . 60 ASN N . 0.892 0.003 3.01E-11 1.88E-12 . . . . . . . . . . 62 GLN N . 0.734 0.014 5.01E-11 2.66E-12 . . . . . . . . . . 63 LYS N . 0.851 0.004 1.00E-13 5.17E-12 . . . . . . . . . . 64 GLU N . 0.895 0.003 3.76E-11 2.56E-12 . . . . . . . . . . 65 SER N . 0.895 0.002 5.10E-12 4.24E-12 . . . . . . . . . . 66 THR N . 0.868 0.004 1.00E-13 6.90E-12 . . . . . . . . . . 68 HIS N . 0.873 0.005 3.51E-11 6.00E-12 . . . . . . . . . . 70 VAL N . 0.953 0.010 1.85E-10 1.36E-11 . . . . . . . . . . 71 LEU N . 0.832 0.011 4.26E-11 8.85E-12 . . . . . . . . . . stop_ _Tau_s_value_units . save_ save_order_parameter_list_6 _Saveframe_category S2_parameters _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_3 _Mol_system_component_name ubiquitin _Tau_e_value_units . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 3 ILE CG2 . 0.832 0.054 3.51E-11 1.92E-13 . . . . . . . . . . 3 ILE CD1 . 0.665 0.045 1.01E-11 2.20E-12 . . . . . . . . . . 5 VAL CG1 . 0.756 0.007 3.26E-11 1.81E-12 . . . . . . . . . . 5 VAL CG2 . 0.736 0.007 2.01E-11 1.26E-12 . . . . . . . . . . 7 THR CG2 . 0.756 0.002 3.76E-11 4.80E-13 . . . . . . . . . . 8 LEU CD1 . 0.243 0.039 4.26E-11 1.78E-12 . . . . . . . . . . 9 THR CG2 . 0.594 0.012 3.01E-11 6.88E-13 . . . . . . . . . . 13 ILE CG2 . 0.570 0.012 3.26E-11 3.70E-13 . . . . . . . . . . 13 ILE CD1 . 0.508 0.007 2.01E-11 8.13E-13 . . . . . . . . . . 14 THR CG2 . 0.629 0.010 4.51E-11 2.00E-12 . . . . . . . . . . 15 LEU CD1 . 0.463 0.008 3.51E-11 2.28E-13 . . . . . . . . . . 15 LEU CD2 . 0.465 0.016 2.76E-11 1.40E-12 . . . . . . . . . . 17 VAL CG1 . 0.818 0.028 3.51E-11 4.18E-13 . . . . . . . . . . 17 VAL CG2 . 0.770 0.025 6.51E-11 2.99E-12 . . . . . . . . . . 22 THR CG2 . 0.853 0.006 2.76E-11 5.37E-13 . . . . . . . . . . 23 ILE CG2 . 0.762 0.007 2.51E-11 2.57E-13 . . . . . . . . . . 23 ILE CD1 . 0.489 0.022 2.51E-11 3.26E-12 . . . . . . . . . . 26 VAL CG1 . 0.754 0.021 3.51E-11 8.56E-13 . . . . . . . . . . 30 ILE CG2 . 0.816 0.007 2.51E-11 8.19E-13 . . . . . . . . . . 30 ILE CD1 . 0.695 0.006 1.26E-11 1.01E-12 . . . . . . . . . . 36 ILE CG2 . 0.742 0.009 6.26E-11 3.21E-12 . . . . . . . . . . 36 ILE CD1 . 0.499 0.016 2.01E-11 5.73E-13 . . . . . . . . . . 43 LEU CD1 . 0.524 0.005 5.26E-11 2.60E-12 . . . . . . . . . . 43 LEU CD2 . 0.455 0.022 3.26E-11 2.58E-12 . . . . . . . . . . 44 ILE CG2 . 0.621 0.016 3.76E-11 5.49E-13 . . . . . . . . . . 44 ILE CD1 . 0.205 0.027 2.26E-11 2.43E-12 . . . . . . . . . . 46 ALA CB . 0.786 0.047 1.76E-11 6.18E-13 . . . . . . . . . . 50 LEU CD1 . 0.707 0.007 2.76E-11 7.99E-13 . . . . . . . . . . 50 LEU CD2 . 0.701 0.007 1.51E-11 6.97E-13 . . . . . . . . . . 56 LEU CD1 . 0.580 0.010 5.51E-11 3.16E-12 . . . . . . . . . . 56 LEU CD2 . 0.546 0.021 2.26E-11 1.18E-12 . . . . . . . . . . 61 ILE CG2 . 0.752 0.021 2.01E-11 4.27E-13 . . . . . . . . . . 61 ILE CD1 . 0.576 0.004 2.01E-11 2.87E-12 . . . . . . . . . . 67 LEU CD1 . 0.261 0.041 5.26E-11 2.61E-12 . . . . . . . . . . 67 LEU CD2 . 0.267 0.044 4.26E-11 1.01E-12 . . . . . . . . . . 69 LEU CD2 . 0.540 0.011 3.76E-11 1.21E-12 . . . . . . . . . . 70 VAL CG2 . 0.395 0.012 6.51E-11 2.18E-12 . . . . . . . . . . 71 LEU CD1 . 0.241 0.014 4.26E-11 1.54E-12 . . . . . . . . . . 73 LEU CD1 . 0.106 0.023 3.76E-11 2.31E-12 . . . . . . . . . . 73 LEU CD2 . 0.158 0.007 3.26E-11 8.43E-13 . . . . . . . . . . stop_ _Tau_s_value_units . save_ save_order_parameter_list_7 _Saveframe_category S2_parameters _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_4 _Mol_system_component_name ubiquitin _Tau_e_value_units . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 2 GLN N . 0.868 0.003 9.26E-11 1.45E-11 . . . . . . . . . . 3 ILE N . 0.909 0.004 1.26E-11 4.39E-12 . . . . . . . . . . 4 PHE N . 0.906 0.005 3.51E-11 7.14E-12 . . . . . . . . . . 5 VAL N . 0.841 0.005 3.51E-11 3.13E-12 . . . . . . . . . . 6 LYS N . 0.876 0.004 2.01E-11 6.33E-12 . . . . . . . . . . 7 THR N . 0.887 0.005 1.00E-13 3.55E-12 . . . . . . . . . . 8 LEU N . 0.835 0.004 3.51E-11 1.99E-12 . . . . . . . . . . 9 THR N . 0.786 0.004 5.51E-11 1.27E-11 . . . . . . . . . . 10 GLY N . 0.769 0.001 4.51E-11 1.16E-12 . . . . . . . . . . 11 LYS N . 0.734 0.008 4.98E-10 3.55E-11 . . . . . . . . . . 12 THR N . 0.786 0.007 3.26E-11 2.58E-12 . . . . . . . . . . 14 THR N . 0.873 0.002 1.01E-11 3.38E-12 . . . . . . . . . . 15 LEU N . 0.906 0.002 6.76E-11 3.62E-12 . . . . . . . . . . 18 GLU N . 0.871 0.004 2.76E-11 2.37E-12 . . . . . . . . . . 20 SER N . 0.876 0.005 4.01E-11 9.32E-12 . . . . . . . . . . 21 ASP N . 0.939 0.005 1.00E-13 1.60E-11 . . . . . . . . . . 22 THR N . 0.851 0.009 1.00E-13 1.68E-11 . . . . . . . . . . 23 ILE N . 0.958 0.003 2.90E-10 2.00E-11 . . . . . . . . . . 28 ALA N . 0.944 0.003 7.60E-12 1.76E-11 . . . . . . . . . . 29 LYS N . 0.923 0.003 2.01E-11 1.20E-11 . . . . . . . . . . 30 ILE N . 0.914 0.005 2.01E-11 1.19E-11 . . . . . . . . . . 32 ASP N . 0.912 0.003 2.51E-11 6.55E-12 . . . . . . . . . . 33 LYS N . 0.849 0.006 7.60E-12 8.75E-12 . . . . . . . . . . 34 GLU N . 0.862 0.004 2.76E-11 1.54E-12 . . . . . . . . . . 35 GLY N . 0.901 0.003 1.00E-13 2.85E-12 . . . . . . . . . . 36 ILE N . 0.786 0.010 1.51E-11 1.53E-12 . . . . . . . . . . 40 GLN N . 0.887 0.001 3.51E-11 1.62E-12 . . . . . . . . . . 41 GLN N . 0.884 0.002 2.76E-11 1.79E-12 . . . . . . . . . . 44 ILE N . 0.873 0.001 2.01E-11 1.52E-12 . . . . . . . . . . 46 ALA N . 0.871 0.005 2.26E-11 2.50E-12 . . . . . . . . . . 47 GLY N . 0.857 0.002 2.26E-11 1.63E-12 . . . . . . . . . . 49 GLN N . 0.783 0.004 6.76E-11 2.57E-12 . . . . . . . . . . 50 LEU N . 0.865 0.003 3.51E-11 1.94E-12 . . . . . . . . . . 52 ASP N . 0.819 0.006 4.01E-11 3.30E-12 . . . . . . . . . . 54 ARG N . 0.882 0.002 2.51E-11 1.91E-12 . . . . . . . . . . 55 THR N . 0.903 0.002 2.01E-11 1.89E-12 . . . . . . . . . . 56 LEU N . 0.906 0.003 1.00E-13 3.50E-12 . . . . . . . . . . 58 ASP N . 0.917 0.002 1.01E-11 9.31E-13 . . . . . . . . . . 59 TYR N . 0.868 0.004 1.00E-13 4.82E-12 . . . . . . . . . . 60 ASN N . 0.912 0.009 7.60E-12 3.16E-12 . . . . . . . . . . 61 ILE N . 0.898 0.003 3.01E-11 2.39E-12 . . . . . . . . . . 62 GLN N . 0.731 0.014 4.26E-11 6.69E-12 . . . . . . . . . . 63 LYS N . 0.849 0.006 7.60E-12 1.31E-11 . . . . . . . . . . 64 GLU N . 0.912 0.004 1.00E-13 6.82E-12 . . . . . . . . . . 65 SER N . 0.903 0.003 1.00E-13 5.12E-12 . . . . . . . . . . 66 THR N . 0.868 0.006 1.00E-13 1.36E-11 . . . . . . . . . . 68 HIS N . 0.841 0.004 3.26E-11 1.49E-11 . . . . . . . . . . 70 VAL N . 0.977 0.014 2.60E-10 1.62E-11 . . . . . . . . . . 71 LEU N . 0.835 0.011 6.51E-11 1.83E-11 . . . . . . . . . . stop_ _Tau_s_value_units . save_ save_order_parameter_list_8 _Saveframe_category S2_parameters _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_4 _Mol_system_component_name ubiquitin _Tau_e_value_units . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 3 ILE CG2 . 0.787 0.049 3.76E-11 4.34E-13 . . . . . . . . . . 3 ILE CD1 . 0.718 0.039 7.60E-12 1.90E-12 . . . . . . . . . . 5 VAL CG1 . 0.767 0.007 3.01E-11 1.66E-12 . . . . . . . . . . 5 VAL CG2 . 0.742 0.004 2.01E-11 1.36E-12 . . . . . . . . . . 7 THR CG2 . 0.762 0.002 3.76E-11 4.80E-13 . . . . . . . . . . 8 LEU CD1 . 0.282 0.037 4.26E-11 1.81E-12 . . . . . . . . . . 9 THR CG2 . 0.599 0.014 3.01E-11 6.22E-13 . . . . . . . . . . 13 ILE CG2 . 0.569 0.011 3.26E-11 4.95E-13 . . . . . . . . . . 13 ILE CD1 . 0.514 0.006 2.01E-11 8.14E-13 . . . . . . . . . . 14 THR CG2 . 0.599 0.013 4.76E-11 2.05E-12 . . . . . . . . . . 15 LEU CD1 . 0.395 0.026 4.76E-11 1.49E-12 . . . . . . . . . . 15 LEU CD2 . 0.425 0.024 3.01E-11 1.40E-12 . . . . . . . . . . 17 VAL CG1 . 0.787 0.023 3.51E-11 1.74E-12 . . . . . . . . . . 17 VAL CG2 . 0.762 0.026 6.51E-11 2.98E-12 . . . . . . . . . . 22 THR CG2 . 0.846 0.005 2.76E-11 4.21E-13 . . . . . . . . . . 23 ILE CG2 . 0.737 0.007 2.51E-11 3.66E-13 . . . . . . . . . . 23 ILE CD1 . 0.500 0.023 2.51E-11 3.16E-12 . . . . . . . . . . 26 VAL CG1 . 0.767 0.021 3.51E-11 8.52E-13 . . . . . . . . . . 30 ILE CG2 . 0.851 0.004 2.26E-11 7.97E-13 . . . . . . . . . . 30 ILE CD1 . 0.708 0.004 1.26E-11 1.91E-12 . . . . . . . . . . 36 ILE CG2 . 0.737 0.008 6.26E-11 3.23E-12 . . . . . . . . . . 36 ILE CD1 . 0.524 0.017 1.76E-11 4.76E-13 . . . . . . . . . . 43 LEU CD1 . 0.604 0.006 4.51E-11 2.42E-12 . . . . . . . . . . 43 LEU CD2 . 0.445 0.026 3.51E-11 2.30E-12 . . . . . . . . . . 44 ILE CG2 . 0.653 0.018 3.51E-11 3.55E-13 . . . . . . . . . . 44 ILE CD1 . 0.222 0.031 2.26E-11 1.92E-12 . . . . . . . . . . 46 ALA CB . 0.782 0.042 1.76E-11 7.08E-13 . . . . . . . . . . 50 LEU CD1 . 0.698 0.004 2.76E-11 6.64E-13 . . . . . . . . . . 50 LEU CD2 . 0.698 0.008 1.51E-11 5.98E-13 . . . . . . . . . . 56 LEU CD1 . 0.609 0.011 5.51E-11 3.46E-12 . . . . . . . . . . 56 LEU CD2 . 0.589 0.022 2.01E-11 1.34E-12 . . . . . . . . . . 61 ILE CG2 . 0.752 0.013 2.01E-11 4.65E-13 . . . . . . . . . . 61 ILE CD1 . 0.604 0.004 2.01E-11 2.77E-12 . . . . . . . . . . 67 LEU CD1 . 0.291 0.035 5.26E-11 2.50E-12 . . . . . . . . . . 67 LEU CD2 . 0.291 0.044 4.26E-11 1.04E-12 . . . . . . . . . . 69 LEU CD2 . 0.564 0.022 4.01E-11 4.34E-13 . . . . . . . . . . 70 VAL CG2 . 0.400 0.013 7.01E-11 2.38E-12 . . . . . . . . . . 71 LEU CD1 . 0.262 0.015 4.26E-11 1.54E-12 . . . . . . . . . . 73 LEU CD1 . 0.123 0.031 3.76E-11 4.46E-13 . . . . . . . . . . 73 LEU CD2 . 0.138 0.031 3.51E-11 5.97E-13 . . . . . . . . . . stop_ _Tau_s_value_units . save_ save_order_parameter_list_9 _Saveframe_category S2_parameters _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_5 _Mol_system_component_name ubiquitin _Tau_e_value_units . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 2 GLN N . 0.865 0.004 8.76E-11 6.13E-12 . . . . . . . . . . 3 ILE N . 0.898 0.003 1.00E-13 5.69E-12 . . . . . . . . . . 4 PHE N . 0.920 0.004 1.76E-11 1.05E-11 . . . . . . . . . . 5 VAL N . 0.854 0.004 2.51E-11 4.59E-12 . . . . . . . . . . 6 LYS N . 0.871 0.005 2.51E-11 1.29E-11 . . . . . . . . . . 7 THR N . 0.871 0.006 2.26E-11 5.28E-12 . . . . . . . . . . 8 LEU N . 0.824 0.005 4.01E-11 1.45E-12 . . . . . . . . . . 9 THR N . 0.753 0.006 6.26E-11 9.31E-12 . . . . . . . . . . 10 GLY N . 0.745 0.005 3.76E-11 1.58E-12 . . . . . . . . . . 11 LYS N . 0.704 0.008 4.98E-10 3.71E-11 . . . . . . . . . . 12 THR N . 0.786 0.006 2.26E-11 2.17E-12 . . . . . . . . . . 13 ILE N . 0.860 0.004 4.76E-11 2.55E-12 . . . . . . . . . . 14 THR N . 0.884 0.004 2.01E-11 3.38E-12 . . . . . . . . . . 15 LEU N . 0.898 0.003 5.76E-11 3.55E-12 . . . . . . . . . . 18 GLU N . 0.890 0.004 1.26E-11 6.74E-12 . . . . . . . . . . 20 SER N . 0.865 0.008 1.26E-11 1.86E-11 . . . . . . . . . . 21 ASP N . 0.988 0.009 6.76E-11 1.18E-11 . . . . . . . . . . 22 THR N . 0.862 0.007 1.26E-11 1.80E-11 . . . . . . . . . . 23 ILE N . 0.969 0.007 2.75E-10 2.17E-11 . . . . . . . . . . 27 LYS N . 0.983 0.005 1.00E-13 3.24E-11 . . . . . . . . . . 28 ALA N . 0.966 0.004 4.98E-10 4.08E-11 . . . . . . . . . . 29 LYS N . 0.953 0.003 4.26E-11 2.33E-11 . . . . . . . . . . 30 ILE N . 0.909 0.004 4.26E-11 1.94E-11 . . . . . . . . . . 32 ASP N . 0.931 0.004 4.26E-11 1.93E-11 . . . . . . . . . . 33 LYS N . 0.816 0.009 7.26E-11 1.42E-11 . . . . . . . . . . 34 GLU N . 0.860 0.004 1.01E-11 1.10E-12 . . . . . . . . . . 35 GLY N . 0.912 0.005 1.00E-13 2.27E-12 . . . . . . . . . . 36 ILE N . 0.830 0.007 2.01E-11 2.37E-12 . . . . . . . . . . 40 GLN N . 0.906 0.004 1.51E-11 1.51E-12 . . . . . . . . . . 41 GLN N . 0.884 0.004 2.76E-11 1.38E-12 . . . . . . . . . . 44 ILE N . 0.857 0.003 2.01E-11 2.32E-12 . . . . . . . . . . 46 ALA N . 0.821 0.004 2.26E-11 2.26E-12 . . . . . . . . . . 47 GLY N . 0.838 0.002 7.60E-12 2.17E-12 . . . . . . . . . . 49 GLN N . 0.786 0.005 5.76E-11 3.34E-12 . . . . . . . . . . 50 LEU N . 0.854 0.004 1.00E-13 7.55E-12 . . . . . . . . . . 52 ASP N . 0.824 0.006 3.51E-11 2.21E-12 . . . . . . . . . . 54 ARG N . 0.909 0.004 3.51E-11 1.94E-12 . . . . . . . . . . 55 THR N . 0.898 0.003 3.01E-11 2.34E-12 . . . . . . . . . . 56 LEU N . 0.920 0.004 1.00E-13 5.42E-12 . . . . . . . . . . 58 ASP N . 0.925 0.003 1.00E-13 1.77E-12 . . . . . . . . . . 59 TYR N . 0.851 0.004 7.60E-12 3.86E-12 . . . . . . . . . . 60 ASN N . 0.898 0.007 1.51E-11 4.57E-12 . . . . . . . . . . 61 ILE N . 0.906 0.004 4.76E-11 4.81E-12 . . . . . . . . . . 62 GLN N . 0.742 0.011 2.76E-11 2.62E-12 . . . . . . . . . . 63 LYS N . 0.906 0.005 1.51E-11 8.55E-12 . . . . . . . . . . 64 GLU N . 0.882 0.006 1.01E-11 1.81E-12 . . . . . . . . . . 65 SER N . 0.879 0.002 1.76E-11 1.78E-12 . . . . . . . . . . 66 THR N . 0.851 0.004 1.76E-11 6.18E-12 . . . . . . . . . . 67 LEU N . 0.862 0.005 2.01E-11 1.10E-11 . . . . . . . . . . 68 HIS N . 0.901 0.004 5.26E-11 1.20E-11 . . . . . . . . . . 70 VAL N . 0.972 0.011 2.85E-10 1.97E-11 . . . . . . . . . . 71 LEU N . 0.871 0.010 4.98E-10 3.94E-11 . . . . . . . . . . stop_ _Tau_s_value_units . save_ save_order_parameter_list_10 _Saveframe_category S2_parameters _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_5 _Mol_system_component_name ubiquitin _Tau_e_value_units . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 3 ILE CG2 . 0.778 0.047 3.76E-11 4.50E-13 . . . . . . . . . . 3 ILE CD1 . 0.705 0.040 7.60E-12 2.09E-12 . . . . . . . . . . 5 VAL CG1 . 0.742 0.002 3.01E-11 1.98E-12 . . . . . . . . . . 5 VAL CG2 . 0.725 0.004 2.01E-11 1.37E-12 . . . . . . . . . . 7 THR CG2 . 0.786 0.005 3.76E-11 4.96E-13 . . . . . . . . . . 8 LEU CD1 . 0.285 0.037 4.51E-11 2.01E-12 . . . . . . . . . . 9 THR CG2 . 0.590 0.015 3.01E-11 5.89E-13 . . . . . . . . . . 13 ILE CG2 . 0.572 0.010 3.26E-11 4.78E-13 . . . . . . . . . . 13 ILE CD1 . 0.512 0.005 2.01E-11 8.59E-13 . . . . . . . . . . 14 THR CG2 . 0.580 0.010 4.76E-11 2.04E-12 . . . . . . . . . . 15 LEU CD1 . 0.415 0.023 3.76E-11 1.47E-12 . . . . . . . . . . 15 LEU CD2 . 0.421 0.024 3.01E-11 1.20E-12 . . . . . . . . . . 17 VAL CG1 . 0.754 0.027 3.76E-11 4.89E-13 . . . . . . . . . . 17 VAL CG2 . 0.740 0.026 6.76E-11 3.04E-12 . . . . . . . . . . 22 THR CG2 . 0.847 0.006 2.76E-11 5.53E-13 . . . . . . . . . . 23 ILE CG2 . 0.726 0.006 2.51E-11 4.03E-13 . . . . . . . . . . 23 ILE CD1 . 0.505 0.020 2.51E-11 3.40E-12 . . . . . . . . . . 26 VAL CG1 . 0.748 0.020 3.51E-11 8.29E-13 . . . . . . . . . . 30 ILE CG2 . 0.837 0.007 2.26E-11 1.01E-12 . . . . . . . . . . 30 ILE CD1 . 0.719 0.003 1.26E-11 1.52E-12 . . . . . . . . . . 36 ILE CG2 . 0.719 0.009 6.26E-11 3.25E-12 . . . . . . . . . . 36 ILE CD1 . 0.491 0.020 2.01E-11 6.67E-13 . . . . . . . . . . 43 LEU CD1 . 0.540 0.005 5.26E-11 2.67E-12 . . . . . . . . . . 43 LEU CD2 . 0.461 0.023 3.51E-11 2.19E-12 . . . . . . . . . . 44 ILE CG2 . 0.641 0.016 3.76E-11 4.67E-13 . . . . . . . . . . 44 ILE CD1 . 0.231 0.030 2.26E-11 2.04E-12 . . . . . . . . . . 46 ALA CB . 0.760 0.043 1.76E-11 9.51E-13 . . . . . . . . . . 50 LEU CD1 . 0.721 0.007 2.76E-11 9.13E-13 . . . . . . . . . . 50 LEU CD2 . 0.667 0.008 1.76E-11 6.44E-13 . . . . . . . . . . 56 LEU CD1 . 0.524 0.017 5.76E-11 3.64E-12 . . . . . . . . . . 56 LEU CD2 . 0.552 0.023 2.26E-11 8.81E-13 . . . . . . . . . . 61 ILE CG2 . 0.736 0.016 2.26E-11 4.78E-13 . . . . . . . . . . 61 ILE CD1 . 0.612 0.009 2.01E-11 3.13E-12 . . . . . . . . . . 67 LEU CD1 . 0.286 0.037 5.51E-11 2.66E-12 . . . . . . . . . . 67 LEU CD2 . 0.302 0.041 4.51E-11 1.13E-12 . . . . . . . . . . 69 LEU CD2 . 0.495 0.016 5.01E-11 5.72E-13 . . . . . . . . . . 70 VAL CG2 . 0.411 0.008 7.51E-11 2.10E-12 . . . . . . . . . . 71 LEU CD1 . 0.265 0.015 4.26E-11 1.97E-12 . . . . . . . . . . 73 LEU CD1 . 0.124 0.031 3.76E-11 3.85E-13 . . . . . . . . . . 73 LEU CD2 . 0.140 0.026 3.51E-11 5.26E-13 . . . . . . . . . . stop_ _Tau_s_value_units . save_ save_order_parameter_list_11 _Saveframe_category S2_parameters _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_6 _Mol_system_component_name ubiquitin _Tau_e_value_units . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 2 GLN N . 0.857 0.006 4.76E-11 6.59E-12 . . . . . . . . . . 3 ILE N . 0.928 0.006 1.00E-13 5.46E-12 . . . . . . . . . . 4 PHE N . 0.931 0.006 1.00E-13 6.65E-12 . . . . . . . . . . 5 VAL N . 0.843 0.007 5.10E-12 3.07E-12 . . . . . . . . . . 6 LYS N . 0.928 0.010 1.00E-13 6.55E-12 . . . . . . . . . . 8 LEU N . 0.832 0.005 2.51E-11 2.62E-12 . . . . . . . . . . 9 THR N . 0.753 0.007 5.26E-11 2.38E-12 . . . . . . . . . . 10 GLY N . 0.761 0.006 3.76E-11 1.70E-12 . . . . . . . . . . 11 LYS N . 0.712 0.016 6.51E-11 1.41E-11 . . . . . . . . . . 13 ILE N . 0.887 0.004 1.76E-11 4.49E-12 . . . . . . . . . . 18 GLU N . 0.868 0.004 2.51E-11 1.95E-12 . . . . . . . . . . 20 SER N . 0.851 0.005 1.76E-11 4.86E-12 . . . . . . . . . . 21 ASP N . 0.933 0.006 5.10E-12 1.06E-11 . . . . . . . . . . 22 THR N . 0.860 0.007 7.60E-12 1.13E-11 . . . . . . . . . . 23 ILE N . 0.969 0.008 2.50E-10 2.13E-11 . . . . . . . . . . 27 LYS N . 0.942 0.004 2.08E-10 1.91E-11 . . . . . . . . . . 28 ALA N . 0.964 0.004 1.00E-13 2.24E-11 . . . . . . . . . . 29 LYS N . 0.917 0.004 1.00E-13 1.73E-11 . . . . . . . . . . 30 ILE N . 0.920 0.004 3.01E-11 1.18E-11 . . . . . . . . . . 32 ASP N . 0.931 0.003 2.26E-11 5.21E-12 . . . . . . . . . . 33 LYS N . 0.950 0.004 2.30E-10 1.97E-11 . . . . . . . . . . 34 GLU N . 0.884 0.006 3.01E-11 7.53E-12 . . . . . . . . . . 35 GLY N . 0.914 0.003 1.76E-11 2.72E-12 . . . . . . . . . . 36 ILE N . 0.794 0.010 2.01E-11 1.30E-12 . . . . . . . . . . 39 ASP N . 0.914 0.007 2.51E-11 3.44E-12 . . . . . . . . . . 40 GLN N . 0.898 0.003 3.76E-11 1.89E-12 . . . . . . . . . . 41 GLN N . 0.882 0.002 3.76E-11 1.81E-12 . . . . . . . . . . 44 ILE N . 0.865 0.003 1.51E-11 3.72E-12 . . . . . . . . . . 46 ALA N . 0.832 0.004 2.51E-11 4.36E-12 . . . . . . . . . . 47 GLY N . 0.841 0.003 3.26E-11 2.82E-12 . . . . . . . . . . 49 GLN N . 0.791 0.003 8.01E-11 3.39E-12 . . . . . . . . . . 50 LEU N . 0.832 0.004 5.10E-12 7.07E-12 . . . . . . . . . . 52 ASP N . 0.824 0.005 4.01E-11 2.02E-12 . . . . . . . . . . 54 ARG N . 0.879 0.004 1.01E-11 2.21E-12 . . . . . . . . . . 55 THR N . 0.898 0.002 1.51E-11 1.29E-12 . . . . . . . . . . 56 LEU N . 0.920 0.002 1.00E-13 2.86E-12 . . . . . . . . . . 57 SER N . 0.895 0.003 1.51E-11 1.31E-12 . . . . . . . . . . 58 ASP N . 0.895 0.002 1.00E-13 2.18E-12 . . . . . . . . . . 59 TYR N . 0.871 0.003 1.51E-11 1.75E-12 . . . . . . . . . . 60 ASN N . 0.906 0.009 2.01E-11 2.47E-12 . . . . . . . . . . 61 ILE N . 0.890 0.005 1.26E-11 3.30E-12 . . . . . . . . . . 62 GLN N . 0.723 0.013 3.51E-11 1.80E-12 . . . . . . . . . . 63 LYS N . 0.873 0.007 5.10E-12 1.08E-11 . . . . . . . . . . 64 GLU N . 0.917 0.005 1.76E-11 3.27E-12 . . . . . . . . . . 65 SER N . 0.879 0.003 2.60E-12 3.32E-12 . . . . . . . . . . 67 LEU N . 0.882 0.004 3.26E-11 8.29E-12 . . . . . . . . . . 68 HIS N . 0.890 0.003 1.00E-13 5.33E-12 . . . . . . . . . . 70 VAL N . 0.961 0.010 2.68E-10 2.17E-11 . . . . . . . . . . 71 LEU N . 0.843 0.009 7.01E-11 1.20E-11 . . . . . . . . . . stop_ _Tau_s_value_units . save_ save_order_parameter_list_12 _Saveframe_category S2_parameters _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_6 _Mol_system_component_name ubiquitin _Tau_e_value_units . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 3 ILE CG2 . 0.810 0.053 3.76E-11 2.02E-13 . . . . . . . . . . 3 ILE CD1 . 0.717 0.047 7.60E-12 2.39E-12 . . . . . . . . . . 5 VAL CG1 . 0.778 0.004 3.01E-11 1.79E-12 . . . . . . . . . . 5 VAL CG2 . 0.726 0.007 2.01E-11 1.40E-12 . . . . . . . . . . 7 THR CG2 . 0.806 0.001 3.76E-11 5.92E-13 . . . . . . . . . . 8 LEU CD1 . 0.358 0.030 4.51E-11 1.99E-12 . . . . . . . . . . 9 THR CG2 . 0.600 0.022 3.01E-11 6.45E-13 . . . . . . . . . . 13 ILE CG2 . 0.617 0.034 3.26E-11 2.86E-12 . . . . . . . . . . 13 ILE CD1 . 0.520 0.018 1.76E-11 2.27E-12 . . . . . . . . . . 14 THR CG2 . 0.610 0.006 4.51E-11 2.18E-12 . . . . . . . . . . 15 LEU CD1 . 0.388 0.019 3.76E-11 6.27E-13 . . . . . . . . . . 15 LEU CD2 . 0.427 0.017 3.01E-11 1.21E-12 . . . . . . . . . . 17 VAL CG1 . 0.782 0.032 3.51E-11 5.94E-13 . . . . . . . . . . 17 VAL CG2 . 0.732 0.026 7.01E-11 3.22E-12 . . . . . . . . . . 22 THR CG2 . 0.828 0.005 3.01E-11 6.06E-13 . . . . . . . . . . 23 ILE CG2 . 0.740 0.005 2.51E-11 3.30E-13 . . . . . . . . . . 23 ILE CD1 . 0.526 0.019 2.51E-11 3.56E-12 . . . . . . . . . . 26 VAL CG1 . 0.721 0.015 3.51E-11 8.58E-13 . . . . . . . . . . 30 ILE CG2 . 0.814 0.008 2.26E-11 9.59E-13 . . . . . . . . . . 30 ILE CD1 . 0.695 0.005 1.51E-11 8.08E-13 . . . . . . . . . . 36 ILE CG2 . 0.748 0.006 6.01E-11 3.12E-12 . . . . . . . . . . 36 ILE CD1 . 0.536 0.013 1.76E-11 3.15E-13 . . . . . . . . . . 43 LEU CD1 . 0.508 0.006 5.51E-11 2.99E-12 . . . . . . . . . . 43 LEU CD2 . 0.459 0.022 4.01E-11 1.67E-12 . . . . . . . . . . 44 ILE CG2 . 0.631 0.016 4.01E-11 3.83E-13 . . . . . . . . . . 44 ILE CD1 . 0.263 0.021 2.26E-11 2.52E-12 . . . . . . . . . . 46 ALA CB . 0.766 0.042 2.01E-11 1.65E-12 . . . . . . . . . . 50 LEU CD1 . 0.608 0.007 3.01E-11 9.40E-13 . . . . . . . . . . 50 LEU CD2 . 0.673 0.033 1.76E-11 3.68E-12 . . . . . . . . . . 56 LEU CD1 . 0.590 0.006 5.76E-11 2.48E-12 . . . . . . . . . . 56 LEU CD2 . 0.554 0.009 2.01E-11 2.80E-13 . . . . . . . . . . 61 ILE CG2 . 0.774 0.018 2.01E-11 5.10E-13 . . . . . . . . . . 61 ILE CD1 . 0.667 0.010 2.01E-11 3.11E-12 . . . . . . . . . . 67 LEU CD1 . 0.336 0.033 5.76E-11 2.96E-12 . . . . . . . . . . 67 LEU CD2 . 0.324 0.041 4.76E-11 1.41E-12 . . . . . . . . . . 69 LEU CD2 . 0.560 0.019 5.76E-11 8.73E-13 . . . . . . . . . . 70 VAL CG2 . 0.455 0.008 8.26E-11 2.16E-12 . . . . . . . . . . 71 LEU CD1 . 0.285 0.019 4.51E-11 2.04E-12 . . . . . . . . . . 73 LEU CD1 . 0.128 0.012 3.76E-11 4.91E-13 . . . . . . . . . . 73 LEU CD2 . 0.150 0.035 3.51E-11 6.07E-13 . . . . . . . . . . stop_ _Tau_s_value_units . save_