Sf_category,Sf_framecode,Entry_ID,Sf_ID,ID,Name,Data_file_name,Sample_condition_list_ID,Sample_condition_list_label,Tau_e_val_units,Tau_f_val_units,Tau_s_val_units,Rex_field_strength,Rex_val_units,Details,Text_data_format,Text_data order_parameters,order_parameter_list_1,11080,8790,1,,,1,sample_conditions_1,ps,,,,,,, order_parameters,order_param_list_1,15097,22393,1,,,1,sample_conditions_1,,,,,,,, order_parameters,S2_taue_pyruvate1,15144,23283,1,,,1,pyruvate_sample_condition_1,ps,,,,,temperatures 10C (in this particular order),, order_parameters,S2_taue_pyruvate2,15144,23284,2,,,2,pyruvate_sample_condition_2,ps,,,,,temperatures 17C (in this particular order),, order_parameters,S2_taue_pyruvate3,15144,23285,3,,,3,pyruvate_sample_condition_3,ps,,,,,temperatures 24C (in this particular order),, order_parameters,S2_taue_pyruvate4,15144,23286,4,,,4,pyruvate_sample_condition_4,ps,,,,,temperatures 30C (in this particular order),, order_parameters,S2_taue_glucose1,15144,23287,5,,,5,glucose_sample_condition_1,ps,,,,,temperatures 10C (in this particular order),, order_parameters,S2_taue_glucose2,15144,23288,6,,,2,pyruvate_sample_condition_2,ps,,,,,temperatures 17C (in this particular order),, order_parameters,S2_taue_glucose3,15144,23289,7,,,3,pyruvate_sample_condition_3,ps,,,,,temperatures 24C in this particular order),, order_parameters,S2_taue_glucose4,15144,23290,8,,,4,pyruvate_sample_condition_4,ps,,,,,temperatures 30C (in this particular order),, order_parameters,Backbone_amide_order_parmaeters,15183,23978,1,,,1,sample_conditions_1,s,s,s,,,"NMR derived backbone N-H bond vector model-free squared generalized order parameters for CaM in complex with CaMKKalphap determined with relaxation data obtained at 500 and 750 MHz (1H).",, order_parameters,Side-chain_methyl_order_parameters,15183,23979,2,,,1,sample_conditions_1,s,s,s,,,NMR derived side-chain model-free squared generalized order parameters for the symmetry axis of methyl groups of CaM in complex with CaMKK p determined with relaxation data obtained at 500 and 750 MHz (1H).,, order_parameters,backbone_order_parameters,15184,23998,1,,,1,sample_conditions_1,s,s,s,,,NMR derived backbone N-H bond vector model-free squared generalized order parameters for CaM in complex with CaMK1p determined at 500 and 600 MHz (1H),, order_parameters,methyl_order_parameters,15184,23999,2,,,1,sample_conditions_1,s,s,s,,,NMR derived side-chain model-free squared generalized order parameters for the symmetry axis of methyl groups of CaM in complex with CaMK1p determined with relaxation data obtained at 500 and 600 MHz (1H).,, order_parameters,backbone_order_parameters,15185,24018,1,,,1,sample_conditions_1,s,s,s,,,NMR derived backbone N-H bond vector model-free squared generalized order parameters for CaM in complex with eNOSp determined at 500 and 600 MHz (1H),, order_parameters,Methyl_order_parameters,15185,24019,2,,,1,sample_conditions_1,s,s,s,,,"NMR derived side-chain model-free squared generalized order parameters for the symmetry axis of methyl groups of CaM in complex with eNOSp determined with relaxation data obtained at 500 and 600 MHz (1H).",, order_parameters,backbone_order_parameters,15186,24038,1,,,1,sample_conditions_1,s,s,s,,,NMR derived backbone N-H bond vector model-free squared generalized order parameters for CaM in complex with smMLCKp determined at 500 and 600 MHz (1H),, order_parameters,methyl_order_parameters,15186,24039,2,,,1,sample_conditions_1,s,s,s,,,NMR derived side-chain model-free squared generalized order parameters for the symmetry axis of methyl groups of CaM in complex with smMLCKp determined with relaxation data obtained at 500 and 600 MHz (1H).,, order_parameters,Backbone_amide_order_parmaeters,15187,24059,1,,,1,sample_conditions_1,s,s,s,,,"NMR derived backbone N-H bond vector model-free squared generalized order parameters for CaM in complex with CaMKKalphap determined with relaxation data obtained at 500 and 750 MHz (1H).",, order_parameters,side-chain_methyl_order_parameters,15187,24060,2,,,1,sample_conditions_1,s,s,s,,,NMR derived side-chain model-free squared generalized order parameters for the symmetry axis of methyl groups of CaM in complex,, order_parameters,backbone_order_parameters,15188,24077,1,,,1,sample_conditions_1,s,s,s,,,NMR derived backbone N-H bond vector model-free squared generalized order parameters for calcium-saturated CaM determined at 500 and 600 MHz (1H),, order_parameters,methyl_order_parameters,15188,24078,2,,,1,sample_conditions_1,s,s,s,,,NMR derived side-chain model-free squared generalized order parameters for the symmetry axis of methyl groups of calcium-saturated CaM determined with relaxation data obtained at 500 and 600 MHz (1H).,, order_parameters,Backbone_order_parameters,15191,24158,1,,,1,sample_conditions_1,s,,,,,NMR derived backbone N-H bond vector model-free squared generalized order parameters for Calmodulin in complex with nNOSp determined at 500 and 600 MHz (1H),, order_parameters,methyl_order_parameters,15191,24159,2,,,1,sample_conditions_1,s,,,,,NMR derived side-chain methyl model-free squared generalized order parameters for the symmetry axis of methyl groups of Calmodulin in complex with nNOSp determined with relaxation data obtained at 500 and 600 MHz (1H).,, order_parameters,order_parameter_list_1,15230,24853,1,,,1,sample_conditions_1,s,s,s,,,"Model-free analysis (anisotropic model of internal motion) in Tensor2 (Dosset et al., 2000)",, order_parameters,order_parameter_list_1,15445,28942,1,,,1,sample_conditions_1,,,,,,for tm= 11.75ns,, order_parameters,order_parameter_list_1,15451,29075,1,,,1,sample_conditions,s,s,s,,,,, order_parameters,order_parameter_list_1,15536,30683,1,,,2,298K,,,,,,,, order_parameters,order_parameters,15562,31175,1,,,1,sample_conditions_1,ps,,ps,,,,, order_parameters,order_parameter_list_1,15910,38281,1,,,1,sample_conditions_1,ps,,ps,,,"Rex @ 499.8824609 MHz; Rex units = s-1; protocol as described in d'Auvergne, E.J., and Gooley, P.R. (2008). Optimisation of NMR dynamic models II. A new methodology for the dual optimisation of the model-free parameters and the Brownian rotational diffusion tensor. J Biomol NMR 40, 121-133.",, order_parameters,order_parameter_list_1,16392,47282,1,,,1,sample_conditions_1,ps,,ps,,,,, order_parameters,order_parameters_1,16917,57593,1,,,1,sample_conditions_1,s,s,s,,,_Order_param.Bond_length_val: 1.02e-10,, order_parameters,order_parameters_1,16918,57618,1,,,1,sample_conditions_1,s,s,s,,,_Order_param.Bond_length_val: 1.02e-10,, order_parameters,Backbone_NH_Order_Parameters,16925,57740,1,,,1,sample_conditions_1,s,,s,,,,, order_parameters,Side-chain_methyl_symmetry_axis_order_parameters,16925,57741,2,,,1,sample_conditions_1,s,,s,,,,, order_parameters,Side-chain_aromatic_order_parameters,16925,57742,3,,,1,sample_conditions_1,s,,s,,,,, order_parameters,Backbone_NH_Order_Parameters,16931,57872,1,,,1,sample_conditions_1,s,,s,,,,, order_parameters,Side-chain_methyl_symmetry_axis_order_parameters,16931,57873,2,,,1,sample_conditions_1,s,,s,,,,, order_parameters,Side-chain_aromatic_order_parameters,16931,57874,3,,,1,sample_conditions_1,s,,s,,,,, order_parameters,Backbone_NH_Order_Parameters,16933,57913,1,,,1,sample_conditions_1,s,,s,,,,, order_parameters,order_parameter_apoWT,17010,59402,1,,,1,sample_conditions_1,ps,ps,ps,,,,, order_parameters,order_parameter_apoL75F,17012,59438,1,,,1,sample_conditions_1,ps,ps,ps,,,,, order_parameters,order_parameter_apoA77V,17013,59461,1,,,1,sample_conditions_1,ps,ps,ps,,,,, order_parameters,order_parameter_list_1,17041,60177,1,,,1,sample_conditions_1,ps,ps,ps,,,,, order_parameters,order_parameter_list_1,17046,60266,1,,,1,sample_conditions_1,ps,ps,,,,,, order_parameters,order_parameter_list_1,17047,60292,1,,,1,sample_conditions_1,ps,ps,ps,,,,, order_parameters,order_parameter_list_1,17069,60662,1,,,1,sample_conditions_1,ps,ps,ps,,,,, order_parameters,order_parameter_list_1,17226,63793,1,,,1,sample_conditions_1,,,,,,,, order_parameters,order_parameter_list_1,17246,64197,1,,,1,sample_conditions_1,,,,,,,, order_parameters,order_parameter_list,17306,65382,1,,,1,NR1C_conditions,,,,,,,, order_parameters,order_parameter_list_1,18116,80926,1,,,1,sample_conditions_1,,,,,,,, order_parameters,order_parameter_list_2,18116,80927,2,,,1,sample_conditions_1,,,,,,,, order_parameters,order_parameter_list_3,18116,80928,3,,,2,sample_conditions_2,,,,,,,, order_parameters,order_parameter_list_4,18116,80929,4,,,2,sample_conditions_2,,,,,,,, order_parameters,order_parameter_list_5,18116,80930,5,,,3,sample_conditions_3,,,,,,,, order_parameters,order_parameter_list_6,18116,80931,6,,,3,sample_conditions_3,,,,,,,, order_parameters,order_parameter_list_7,18116,80932,7,,,4,sample_conditions_4,,,,,,,, order_parameters,order_parameter_list_8,18116,80933,8,,,4,sample_conditions_4,,,,,,,, order_parameters,order_parameter_list_9,18116,80934,9,,,5,sample_conditions_5,,,,,,,, order_parameters,order_parameter_list_10,18116,80935,10,,,5,sample_conditions_5,,,,,,,, order_parameters,order_parameter_list_11,18116,80936,11,,,6,sample_conditions_6,,,,,,,, order_parameters,order_parameter_list_12,18116,80937,12,,,6,sample_conditions_6,,,,,,,, order_parameters,backbone_parameters,18251,83459,1,,,1,sample_conditions_1,s,,,,s-1,"Cdc42Hs-GMPPCP backbone order parameters from T1, T2 and NOE experiments at 14.1 and 17.6 T.",, order_parameters,methyl_parameters,18251,83460,2,,,1,sample_conditions_1,s,,,,s-1,Cdc42Hs-GMPPCP methyl carbon order parameters from Carbon T1 and Carbon T2 experiments at 14.1 and 17.6 T.,, order_parameters,backbone_parameters,18252,83485,1,,,1,sample_conditions_1,s,,,,s-1,"Cdc42Hs-GMPPCP-PBD46 backbone order parameters from T1, T2 and NOE experiments at 14.1 and 17.6 T.",, order_parameters,methyl_parameters,18252,83486,2,,,1,sample_conditions_1,s,,,,s-1,Cdc42Hs-GMPPCP-PBD46 methyl carbon order parameters from Carbon T1 and Carbon T2 experiments at 14.1 and 17.6 T.,, order_parameters,order_parameter_list_1,18304,84297,1,,,1,sample_conditions_1,s,,,,s-1,,, order_parameters,order_parameter_list_2,18304,84298,2,,,1,sample_conditions_1,E-10 s,,,,,,, order_parameters,order_parameter_list_1,18305,84316,1,,,1,sample_conditions_1,s,,,,s-1,,, order_parameters,order_parameter_list_2,18305,84317,2,,,1,sample_conditions_1,E-10 s,,,,,,, order_parameters,order_parameter_list_1,18388,85827,1,,,1,sample_conditions_1,,,,,,,, order_parameters,order_parameter_list_1,18389,85850,1,,,1,sample_conditions_1,,,,,,,, order_parameters,order_parameter_list_1,18477,87484,1,,,2,sample_conditions_2,ps,,,600,s,,, order_parameters,order_parameter_list_1,18758,92919,1,,,2,sample_conditions_2,,,,,,,, order_parameters,order_parameter_list_1,18971,97224,1,,,1,sample_conditions_1,s,s,s,,s-1,,, order_parameters,order_parameter_list_1,19388,104735,1,,,1,sample_conditions_1,,,,,,,, order_parameters,order_parameter_list_1,25025,121737,1,,,1,sample_conditions_1,,,,,,,, order_parameters,order_parameter_list_2,25025,121738,2,,,1,sample_conditions_1,,,,,,,, order_parameters,order_parameter_1,25727,133947,1,,,1,sample_conditions_1,,,,,,"In all experiments used for backbone amide and sidechain order parameters for the free protein, the data was collected on the Bruker Avance 500MHz and repeated on the Bruker Avance 750MHz spectrometer.",, order_parameters,order_parameter_2,25727,133948,2,,,1,sample_conditions_1,,,,,,"In all experiments used for backbone amide and sidechain order parameters for the free protein, the data was collected on the Bruker Avance 500MHz and repeated on the Bruker Avance 750MHz spectrometer.",, order_parameters,order_parameter_list_1,25728,133967,1,,,2,sample_conditions_2,,,,,,"In all experiments used for backbone amide and sidechain order parameters for the free protein, the data was collected on the Bruker Avance 500MHz and repeated on the Bruker Avance 750MHz spectrometer.",, order_parameters,order_parameter_2,25728,133968,2,,,2,sample_conditions_2,,,,,,"In all experiments used for backbone amide and sidechain order parameters for the free protein, the data was collected on the Bruker Avance 500MHz and repeated on the Bruker Avance 750MHz spectrometer.",, order_parameters,order_parameter_list_1,25852,136158,1,,,1,sample_conditions_1,,,,,,,, order_parameters,order_parameter_list_1,26503,140496,1,,,1,sample_conditions_1,ps,,,,,"L-S modelfree analysis considered without remote dipolar interactions. The fit errors for all the residues were between 5-10% for the [1-13C]glucose sample, whereas the L-S model free analysis of the [4-13C]-erythrose/deuterated pyruvate/D2O sample resulted in fit errors of less than 1% for all residues.",, order_parameters,order_parameter_list_2,26503,140497,2,,,1,sample_conditions_1,ps,,,,,"L-S modelfree analysis considering remote dipolar interactions with 1H (assuming r avg = 2.3 A) The fit errors for all the residues were between 5-10% for the [1-13C]glucose sample, whereas the L-S model free analysis of the [4-13C]-erythrose/deuterated pyruvate/D2O sample resulted in fit errors of less than 1% for all residues.",, order_parameters,order_parameter_list_3,26503,140498,3,,,1,sample_conditions_1,ps,,,,,"L-S modelfree analysis considering remote dipolar interactions with 1H (ravg = 2.3 A) and C (ravg = 2.3 A or 1.4 A [bond length of C-C in aromatic ring]). In either case, the fitting resulted in identical values. The fit errors for all the residues were between 5-10% for the [1-13C]glucose sample, whereas the L-S model free analysis of the [4-13C]-erythrose/deuterated pyruvate/D2O sample resulted in fit errors of less than 1% for all residues.",, order_parameters,order_parameter_list_1,26779,144792,1,,,1,sample_conditions_1,,,,,,,, order_parameters,order_parameter_list_1,26504,140517,1,,,1,sample_conditions_1,ps,,,,,"Model selection for model-free models (model0 = {}, model1 = {S2}, model2 = {S2, te}, model3 = {S2, Rex}, model4 = { S2, te, Rex }, model5 = {S2, S2f, ts}, model6 = {S2, tf, S2f, ts}, model7 = {S2, S2f, ts, Rex}, model8 = {S2, tf, S2f, ts, Rex}, model9 = {Rex}) was performed using Akaike information criteria (d'Auvergne and Gooley, 2003; d'Auvergne and Gooley, 2008a).",, order_parameters,order_parameter_list_1,26505,140539,1,,,1,sample_conditions_1,,,,500,,,, order_parameters,order_parameter_list_2,26505,140540,2,,,1,sample_conditions_1,,,,750,,,, order_parameters,order_parameter_list_1,26506,140563,1,,,1,sample_conditions_1,,,,,,,, order_parameters,order_parameter_list_Lipari-Szabo_1,26507,140622,1,,,1,sample_conditions_1,,ns,,,,"(a) The best-fit overall rotational correlation times are 8.2 0.1 ns (DPC), 11.1 0.1 ns (q=0.29), 21.0 0.5 ns (q=0.52), 23.3 0.8 ns (q=0.55) and 35.9 0.6 ns (q=0.69). The search space for the overall and internal motional parameters match those of the combined fit (see Data Analysis) except \u03c4i, which was fit over the range of 0-15 ns, and \u03c4R, which was fit over the range 5-15 ns (DPC), 10-25 ns (q=0.29), 15-35 ns (q=0.52 and q=0.55) and 30-50 ns (q=0.69). For fits without a heteronuclear NOE measurement (q=0.55 and q=0.69), the q=0.52 NOE dataset was used in the fits. (b) Reported ranges represent the one standard-deviation confidence region on the \u03c72-surface.",, order_parameters,order_parameter_list_Lipari-Szabo_2,26507,140623,2,,,2,sample_conditions_2,,ns,,,,"(a) The best-fit overall rotational correlation times are 8.2 0.1 ns (DPC), 11.1 0.1 ns (q=0.29), 21.0 0.5 ns (q=0.52), 23.3 0.8 ns (q=0.55) and 35.9 0.6 ns (q=0.69). The search space for the overall and internal motional parameters match those of the combined fit (see Data Analysis) except \u03c4i, which was fit over the range of 0-15 ns, and \u03c4R, which was fit over the range 5-15 ns (DPC), 10-25 ns (q=0.29), 15-35 ns (q=0.52 and q=0.55) and 30-50 ns (q=0.69). For fits without a heteronuclear NOE measurement (q=0.55 and q=0.69), the q=0.52 NOE dataset was used in the fits. (b) Reported ranges represent the one standard-deviation confidence region on the \u03c72-surface.",, order_parameters,order_parameter_list_Lipari-Szabo_3,26507,140624,3,,,4,sample_conditions_4,,ns,,,,"(a) The best-fit overall rotational correlation times are 8.2 0.1 ns (DPC), 11.1 0.1 ns (q=0.29), 21.0 0.5 ns (q=0.52), 23.3 0.8 ns (q=0.55) and 35.9 0.6 ns (q=0.69). The search space for the overall and internal motional parameters match those of the combined fit (see Data Analysis) except \u03c4i, which was fit over the range of 0-15 ns, and \u03c4R, which was fit over the range 5-15 ns (DPC), 10-25 ns (q=0.29), 15-35 ns (q=0.52 and q=0.55) and 30-50 ns (q=0.69). For fits without a heteronuclear NOE measurement (q=0.55 and q=0.69), the q=0.52 NOE dataset was used in the fits. (b) Reported ranges represent the one standard-deviation confidence region on the \u03c72-surface.",, order_parameters,order_parameter_list_Lipari-Szabo_4,26507,140625,4,,,5,sample_conditions_5,,ns,,,,"(a) The best-fit overall rotational correlation times are 8.2 0.1 ns (DPC), 11.1 0.1 ns (q=0.29), 21.0 0.5 ns (q=0.52), 23.3 0.8 ns (q=0.55) and 35.9 0.6 ns (q=0.69). The search space for the overall and internal motional parameters match those of the combined fit (see Data Analysis) except \u03c4i, which was fit over the range of 0-15 ns, and \u03c4R, which was fit over the range 5-15 ns (DPC), 10-25 ns (q=0.29), 15-35 ns (q=0.52 and q=0.55) and 30-50 ns (q=0.69). For fits without a heteronuclear NOE measurement (q=0.55 and q=0.69), the q=0.52 NOE dataset was used in the fits. (b) Reported ranges represent the one standard-deviation confidence region on the \u03c72-surface.",, order_parameters,order_parameter_list_Lipari-Szabo_5,26507,140626,5,,,2,sample_conditions_2,,ns,,,,"(a) The best-fit overall rotational correlation times are 8.2 0.1 ns (DPC), 11.1 0.1 ns (q=0.29), 21.0 0.5 ns (q=0.52), 23.3 0.8 ns (q=0.55) and 35.9 0.6 ns (q=0.69). The search space for the overall and internal motional parameters match those of the combined fit (see Data Analysis) except \u03c4i, which was fit over the range of 0-15 ns, and \u03c4R, which was fit over the range 5-15 ns (DPC), 10-25 ns (q=0.29), 15-35 ns (q=0.52 and q=0.55) and 30-50 ns (q=0.69). For fits without a heteronuclear NOE measurement (q=0.55 and q=0.69), the q=0.52 NOE dataset was used in the fits. (b) Reported ranges represent the one standard-deviation confidence region on the \u03c72-surface.",, order_parameters,order_parameter_list_model_A,26507,140627,6,,,1,sample_conditions_1,,ns,ns,,,"(a) The overall rotational correlation times were set to the optimal values from the model B fit: \u03c4R = 10.9 ns (DPC), \u03c4R = 15.1 ns (q=0.29 bicelles), \u03c4R = 26.6 ns (q=0.52), \u03c4R = 29.0 ns (q=0.55), and \u03c4R = 44.2 ns (q=0.69). (b) Reported ranges represent the one standard-deviation confidence region on the \u03c72-surface.",, order_parameters,order_parameter_list_model_B,26507,140628,7,,,1,sample_conditions_1,,ns,ns,,,"(a) The \u03c4s and S2s for model B spins represent the globally-fitted value over all model B spins. The best- fit overall rotational correlation times \u03c4R = 10.9 0.1 ns (DPC), \u03c4R = 15.1 0.2 ns (q=0.29 bicelles), \u03c4R = 26.6 0.4 ns (q=0.52), \u03c4R = 29.0 0.4 ns (q=0.55), and \u03c4R = 44.2 0.7 ns (q=0.69) were used for all model model B fits. Entries for G13 and G23 are those from Table S3. (b) Reported ranges represent the one standard-deviation confidence region on the \u03c72-surface.",, order_parameters,order_parameter_list_p31_1,26507,140629,8,,,2,sample_conditions_2,,ns,,,,,, order_parameters,order_parameter_list_p31_2,26507,140630,9,,,5,sample_conditions_5,,ns,,,,,, order_parameters,order_parameter_list_p31_3,26507,140631,10,,,2,sample_conditions_2,,ns,,,,,, order_parameters,order_parameter_list_1,26510,140695,1,,,1,sample_conditions_1,,,,600,,,, order_parameters,order_parameter_list_1,26511,140716,1,,,1,sample_conditions_1,ps,,,,,"Order parameter (S2) and Tau e values derived from the 360 MHz relaxation data, and relaxation values predicted for these S2 and Tau e values, using the constrained asymmetric diffusion tensor with Tau c equal to 10.97 ns, and the simple Lipari-Szabo description for internal motion. Residues D25, E35, I50, Y59, V75, L76, and G86 yield a poor fit due to the presence of exchange broadening; residues Q2, V3, L38, G40, R41 and W42 require fitting with the extended Lipari-Szabo model because of intermediate time scale internal motions (Clore et al., 1990b).",, order_parameters,S2_25C,26959,147505,1,,,1,25C,,,,600,,,, order_parameters,S2_30C,26959,147506,2,,,2,30C,,,,600,,,, order_parameters,S2_35C,26959,147507,3,,,3,35C,,,,600,,,, order_parameters,S2_40C,26959,147508,4,,,4,40C,,,,600,,,, order_parameters,order_parameter_list_1,26983,147927,1,,,1,sample_conditions_1,s,,,,,,, order_parameters,order_parameter_list_2,26983,147928,2,,,1,sample_conditions_1,s,,,,,,, order_parameters,order_parameter_list_2,26511,140717,2,,,1,sample_conditions_1,ps,,,,,"Order parameter (S2) and Tau e values derived from the 600 MHz relaxation data, and relaxation values predicted for these S2 and Tau e values, using the constrained asymmetric diffusion tensor with Tau c equal to 10.82 ns, and the simple Lipari-Szabo description for internal motion. Residues D25, E35, I50, Y59, V75, L76, and G86 yield a poor fit due to the presence of exchange broadening; residues Q2, V3, L38, G40, R41 and W42 require fitting with the extended Lipari-Szabo model because of intermediate time scale internal motions (Clore et al., 1990b).",, order_parameters,order_parameter_list_3,26511,140718,3,,,1,sample_conditions_1,ps,,,,,"Order parameter (S2) and Tau e values derived from the 360 MHz relaxation data, and relaxation values predicted for these S2 and Tau e values, using the constrained asymmetric diffusion tensor with Tau c equal to 10.81 ns, and the simple Lipari-Szabo description for internal motion. Residues D25, E35, I50, Y59, V75, L76, and G86 yield a poor fit due to the presence of exchange broadening; residues Q2, V3, L38, G40, R41 and W42 require fitting with the extended Lipari-Szabo model because of intermediate time scale internal motions (Clore et al., 1990b).",, order_parameters,order_parameter_list_4,26511,140719,4,,,1,sample_conditions_1,ps,,,,,"Order parameter (S2) and Tau e values derived from the 600 MHz relaxation data, and relaxation values predicted for these S2 and Tau e values, using the constrained asymmetric diffusion tensor with Tau c equal to 10.59 ns, and the simple Lipari-Szabo description for internal motion. Residues D25, E35, I50, Y59, V75, L76, and G86 yield a poor fit due to the presence of exchange broadening; residues Q2, V3, L38, G40, R41 and W42 require fitting with the extended Lipari-Szabo model because of intermediate time scale internal motions (Clore et al., 1990b).",, order_parameters,order_parameter_list_5,26511,140720,5,,,1,sample_conditions_1,ps,,,,,"Order parameter (S2) and Tau e values derived from the 360 MHz relaxation data, and relaxation values predicted for these S2 and Tau e values, using the isotropic diffusion model and the simple Lipari-Szabo description for internal motion. Residues D25, E35, I50, Y59, V75, L76, and G86 yield a poor fit due to the presence of exchange broadening; residues Q2, V3, L38, G40, R41 and W42 require fitting with the extended Lipari-Szabo model because of intermediate time scale internal motions (Clore et al., 1990b).",, order_parameters,order_parameter_list_6,26511,140721,6,,,1,sample_conditions_1,ps,,,,,"Order parameter (S2) and Tau e values derived from the 600 MHz relaxation data, and relaxation values predicted for these S2 and Tau e values, using the isotropic diffusion model and the simple Lipari-Szabo description for internal motion. Residues D25, E35, I50, Y59, V75, L76, and G86 yield a poor fit due to the presence of exchange broadening; residues Q2, V3, L38, G40, R41 and W42 require fitting with the extended Lipari-Szabo model because of intermediate time scale internal motions (Clore et al., 1990b).",, order_parameters,order_parameter_list_1,26513,140769,1,,,1,sample_conditions_1,,,,,,,, order_parameters,order_parameter_list_bound_1,26514,140794,1,,,1,sample_conditions_1,,,,,,,, order_parameters,order_parameter_list_bound_2,26514,140795,2,,,2,sample_conditions_2,,,,,,,, order_parameters,order_parameter_list_bound_3,26514,140796,3,,,3,sample_conditions_3,,,,,,,, order_parameters,order_parameter_list_bound_4,26514,140797,4,,,4,sample_conditions_4,,,,,,,, order_parameters,order_parameter_list_bound_5,26514,140798,5,,,5,sample_conditions_5,,,,,,,, order_parameters,order_parameter_list_bound_6,26514,140799,6,,,6,sample_conditions_6,,,,,,,, order_parameters,order_parameter_list_bound_7,26514,140800,7,,,7,sample_conditions_7,,,,,,,, order_parameters,order_parameter_list_free_1,26514,140801,8,,,1,sample_conditions_1,,,,,,,, order_parameters,order_parameter_list_free_2,26514,140802,9,,,2,sample_conditions_2,,,,,,,, order_parameters,order_parameter_list_free_3,26514,140803,10,,,3,sample_conditions_3,,,,,,,, order_parameters,order_parameter_list_free_4,26514,140804,11,,,8,sample_conditions_8,,,,,,,, order_parameters,order_parameter_list_free_5,26514,140805,12,,,4,sample_conditions_4,,,,,,,, order_parameters,order_parameter_list_free_6,26514,140806,13,,,5,sample_conditions_5,,,,,,,, order_parameters,order_parameter_list_free_7,26514,140807,14,,,6,sample_conditions_6,,,,,,,, order_parameters,order_parameter_list_free_8,26514,140808,15,,,7,sample_conditions_7,,,,,,,, order_parameters,order_parameter_list_1,26619,142269,1,,,1,sample_conditions_1,,,,,,,, order_parameters,order_parameter_list_1,26620,142287,1,,,1,sample_conditions_1,s,,,,,,, order_parameters,Methyl_Order_parameters,26667,142985,1,,,1,sample_conditions_1,,,,,,,, order_parameters,Backbone_Order_Parameters,26667,142986,2,,,1,sample_conditions_1,,,,,,,, order_parameters,Backbone_Order_Parameters,26670,143003,1,,,1,sample_conditions_1,,,,,,,, order_parameters,Methyl_Order_Parameters_CaM,26670,143004,2,,,1,sample_conditions_1,,,,,,,, order_parameters,Methyl_Order_Parameters_nNOS(p),26670,143005,3,,,1,sample_conditions_1,,,,,,,, order_parameters,order_parameter_list_1,26710,143566,1,,,1,sample_conditions_1,s,s,s,,,Bond_length_val: 1.02e-10.,, order_parameters,order_parameter_list_2,26710,143567,2,,,1,sample_conditions_1,s,s,s,,,Bond_length_val: 1.02e-10.,, order_parameters,order_parameter_list_3,26710,143568,3,,,1,sample_conditions_1,s,s,s,,,Bond_length_val: 1.02e-10.,, order_parameters,order_parameter_list_b2m,26711,143611,1,,,1,sample_conditions_1,s,s,s,,,Bond_length_val: 1.02e-10.,, order_parameters,order_parameter_list_bottom,26711,143612,2,,,1,sample_conditions_1,s,s,s,,,Bond_length_val: 1.02e-10.,, order_parameters,order_parameter_list_top,26711,143613,3,,,1,sample_conditions_1,s,s,s,,,Bond_length_val: 1.02e-10.,, order_parameters,order_parameter_list_bn,26712,143656,1,,,1,sample_conditions_1,s,s,s,600,s-1,Bond_length_val: 1.02e-10.,, order_parameters,order_parameter_list_bottom,26712,143657,2,,,1,sample_conditions_1,s,s,s,600,s-1,Bond_length_val: 1.02e-10.,, order_parameters,order_parameter_list_top,26712,143658,3,,,1,sample_conditions_1,s,s,s,600,s-1,Bond_length_val: 1.02e-10.,, order_parameters,order_parameter_list_b2m,26713,143701,1,,,1,sample_conditions_1,s,s,s,,,Bond_length_val: 1.02e-10.,, order_parameters,order_parameter_list_bottom,26713,143702,2,,,1,sample_conditions_1,s,s,s,,,Bond_length_val: 1.02e-10.,, order_parameters,order_parameter_list_top,26713,143703,3,,,1,sample_conditions_1,s,s,s,,,Bond_length_val: 1.02e-10.,, order_parameters,order_parameter_list_1,26714,143728,1,,,1,sample_conditions_1,s,s,s,,,Bond_length_val: 1.02e-10.,, order_parameters,order_parameter_list_1,27011,148341,1,,,1,sample_conditions_1,ns,,ns,850,s-1,,, order_parameters,S2_25C,27028,148609,1,,,1,25C,,,,600,,,, order_parameters,S2_30C,27028,148610,2,,,2,30C,,,,600,,,, order_parameters,S2_35C,27028,148611,3,,,3,35C,,,,600,,,, order_parameters,S2_40C,27028,148612,4,,,4,40C,,,,600,,,, order_parameters,order_parameter_list_1,27447,155099,1,,,1,sample_conditions_1,,,,,,"Methyl order parameter data recorded using the latest version of the experiments by Tugarinov, Sprangers, Kay (J.Am.Chem.Soc. 129,1743).",, order_parameters,order_parameter_list_1,27448,155129,1,,,1,sample_conditions_1,,,,,,"Methyl order parameter data recorded using the latest version of the experiments by Tugarinov, Sprangers, Kay (J.Am.Chem.Soc. 129,1743). CD2 of residues 4, 46, 52, 97, 100, 116, and 117 and CB of residues 10 and 140 should be excluded or used with caution due to resonance overlap.",, order_parameters,S2_25C,27455,155255,1,,,1,25C,,,,600,,,, order_parameters,S2_30C,27455,155256,2,,,2,30C,,,,600,,,, order_parameters,S2_35C,27455,155257,3,,,2,30C,,,,600,,,, order_parameters,S2_40C,27455,155258,4,,,2,30C,,,,600,,,, order_parameters,S2_25C,27459,155318,1,,,1,25C,,,,600,,,, order_parameters,S2_30C,27459,155319,2,,,2,30C,,,,600,,,, order_parameters,S2_35C,27459,155320,3,,,3,35C,,,,600,,,, order_parameters,S2_40C,27459,155321,4,,,4,40C,,,,600,,,, order_parameters,order_parameter_list_1,27465,155418,1,,,1,sample_conditions_1,,,,,,,, order_parameters,order_parameter_list_1,27646,158278,1,,,1,sample_conditions_1,s,s,s,,,,, order_parameters,Backbone_order_parameters,27721,159392,1,,,1,sample_conditions_1,,,,,,,, order_parameters,Side-chain_order_parameters,27721,159393,2,,,1,sample_conditions_1,,,,,,,, order_parameters,Backbone_order_parameters,27722,159436,1,,,1,sample_conditions_1,,,,,,,, order_parameters,side-chain_order_parameters,27722,159437,2,,,1,sample_conditions_1,,,,,,,, order_parameters,order_parameter_list_Free,27888,161935,1,,,1,sample_conditions_1,s,s,s,"850,600",s-1,"Obtained from Lipari-Szabo analysis of T1, T2 and NOE data on two magnetic fields.",, order_parameters,order_parameter_list_CLA,27890,161960,1,,,1,sample_conditions_1,s,s,s,850,s-1,"Obtained from Lipari-Szabo analysis of T1, T2 and NOE data on one magnetic field.",, order_parameters,order_parameter_list_AVI,27929,162369,1,,,1,sample_conditions_1,s,s,s,850,s-1,"Obtained from Lipari-Szabo analysis of T1, T2 and NOE data on one magnetic field.",, order_parameters,S2_parameters,4245,196441,1,,,1,sample_conditions_one,ps,,,,,"fitted from T1 data at 41, 51, 61, and 76 MHz 15N frequencies and from {1H}-15N data at 51, 61, and 76 MHz 15N frequencies overall correlation time, tau-m, was fixed at 4.1 ns",, order_parameters,S2_parameters>,4267,196920,1,,,1,sample_conditions_all,,,ns,,,"Order parameters are generalised, where applicable (i.e. S2=S2f*S2s), derived from model-free analysis using truncated Lipari-Szabo and the extended Clore model function (No residues fitted the full Lipari-Szabo model).",, order_parameters,S2_parameters_label,4364,198911,1,,,1,conditions,ps,,,,,,, order_parameters,S2_parameters_label,4365,198932,1,,,1,conditions,ps,,,,,,, order_parameters,S2_parameters_label,4366,198953,1,,,1,conditions,ps,,,,,,, order_parameters,S2_parameters,4390,199453,1,,,1,sample_conditions,ps,,,,,,, order_parameters,S2_one,4689,204723,1,,,1,sample_conditions_one,ps,,,,,,, order_parameters,S2_two,4689,204724,2,,,2,sample_conditions_two,ps,,,,,,, order_parameters,S2_parameters_15N_22C,4970,210928,1,,,1,sample_conditions_1,,,,,,,, order_parameters,S2_parameters_15N_35C,4970,210929,2,,,2,sample_conditions_2,,,,,,,, order_parameters,S2_parameters_15N_47C,4970,210930,3,,,3,sample_conditions_3,,,,,,,, order_parameters,S2_parameters_15N_60C,4970,210931,4,,,4,sample_conditions_4,,,,,,,, order_parameters,S2_parameters_15N_73C,4970,210932,5,,,5,sample_conditions_5,,,,,,,, order_parameters,S2_parameters_2H_15C,4970,210933,6,,,6,sample_conditions_6,,,,,,,, order_parameters,S2_parameters_2H_22C,4970,210934,7,,,1,sample_conditions_1,,,,,,,, order_parameters,S2_parameters_2H_28C,4970,210935,8,,,7,sample_conditions_7,,,,,,,, order_parameters,S2_parameters_2H_35C,4970,210936,9,,,2,sample_conditions_2,,,,,,,, order_parameters,S2_parameters_2H_38C,4970,210937,10,,,8,sample_conditions_8,,,,,,,, order_parameters,S2_parameters_2H_41C,4970,210938,11,,,9,sample_conditions_9,,,,,,,, order_parameters,S2_parameters_2H_44C,4970,210939,12,,,10,sample_conditions_10,,,,,,,, order_parameters,S2_parameters_2H_47C,4970,210940,13,,,3,sample_conditions_3,,,,,,,, order_parameters,S2_parameters_2H_50C,4970,210941,14,,,11,sample_conditions_11,,,,,,,, order_parameters,S2_parameters_2H_53C,4970,210942,15,,,12,sample_conditions_12,,,,,,,, order_parameters,S2_parameters_2H_60C,4970,210943,16,,,4,sample_conditions_4,,,,,,,, order_parameters,S2_parameters_2H_67C,4970,210944,17,,,13,sample_conditions_13,,,,,,,, order_parameters,S2_parameters_2H_73C,4970,210945,18,,,5,sample_conditions_5,,,,,,,, order_parameters,order_parameter_list_1,50001,211776,1,,,1,sample_conditions_1,,,,600.12282197,,"These are the order parameters S2, derived from fitting the relaxation data with ModelFree.",, order_parameters,order_parameters_1,50212,213871,1,,,1,sample_conditions_1,,,,700,s-1,Exact field strength: 700.13328967,, order_parameters,order_parameters_1,50297,214729,1,ScCM:Apo,,1,sample_conditions_1,,,,,,,, order_parameters,order_parameters_2,50297,214730,2,ScCM:YY,,1,sample_conditions_1,,,,,,,, order_parameters,order_parameters_3,50297,214731,3,ScCM:WW,,1,sample_conditions_1,,,,,,,, order_parameters,S2_parameters_label,5153,218479,1,,,1,condition_1,ps,,,,,,, order_parameters,S2_parameters_label,5154,218498,1,,,1,condition_1,ps,,,,,,, order_parameters,S2,5330,222366,1,,,1,cond_set_1,ps,,,,,,, order_parameters,S2,5331,222393,1,,,1,cond_set_1,ps,,,,,,, order_parameters,S2_parameters_set_1,5548,226956,1,,,1,sample_cond_1,ps,,,,,,, order_parameters,S2_parameters_set_2,5548,226957,2,,,1,sample_cond_1,ps,,,,,,, order_parameters,S2_parameters_set_1,5549,226984,1,,,1,sample_cond_1,ps,,,,,,, order_parameters,S2_parameters_set_1,5550,227030,1,,,1,Condition_1,ps,,,,,,, order_parameters,S2_parameters_label,5808,232993,1,,,1,Ex-cond_1,,,,,,,, order_parameters,S2_parameters_label,5841,233658,1,,,1,condition_one,ns,,,,,,, order_parameters,S2_parameters_label,5991,237177,1,,,1,Condition_1,ns,,,,,,, order_parameters,S2_parameters_1,6243,242274,1,,,1,condition_one,,,,,,,, order_parameters,S2_parameters_2,6243,242275,2,,,2,condition_two,,,,,,,, order_parameters,order_param_alpha_carbon_1,6466,247089,1,,,1,conditions_1,ns,,,,,,, order_parameters,order_param_alpha_carbon_2,6466,247090,2,,,1,conditions_1,ns,,,,,,, order_parameters,order_param_methyl_carbon_1,6466,247091,3,,,1,conditions_1,ps,,,,,,, order_parameters,S2_parameters_1,6470,247166,1,,,1,condition_1,ps,,,,,,, order_parameters,S2_parameters_2,6470,247167,2,,,1,condition_1,ps,,,,,,, order_parameters,S2_parameters_label,6474,247204,1,,,1,condition_one,ns,ns,ns,,,,, order_parameters,order_param_list_1,6577,249171,1,,,1,conditions_1,ps,,ps,,,S2 obtained after modelfree analysis with FAST-Modelfree,, order_parameters,order_parameter_list_1,6838,254159,1,,,2,conditions_2,ps,,ps,,,"The Rex values and errors provided are scaled for a 600 MHz field. That is, they originate from the model-free analysis of data from all three fields (500, 600, 800), but are scaled for the 600 MHz field.",, order_parameters,S2_com,7126,258938,1,,,1,conditions_1,,,,,,Methyl axial order parameters of sub-nanosecond motions for barnase-barstar complex,, order_parameters,S2_free,7139,259141,1,,,1,conditions_1,,,,,,Methyl axial order parameters of sub-nanosecond motions for free barnase,, order_parameters,order_param_list_1,7219,260408,1,,,1,conditions_1,,,,,,,,