###################### # Order parameters # ###################### save_order_parameter_list_b2m _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_b2m _Order_parameter_list.Entry_ID 26711 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units s _Order_parameter_list.Tau_f_val_units s _Order_parameter_list.Tau_s_val_units s _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details 'Bond_length_val: 1.02e-10.' _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 7 '600.18 MHz R1' 1 $sample_1 . 26711 1 8 '600.18 MHz R2' . . . 26711 1 9 '600.18 MHz steady-state NOE' . . . 26711 1 10 '750.46 MHz R1' . . . 26711 1 11 '750.46 MHz R2' . . . 26711 1 12 '750.46 MHz steady-state NOE' . . . 26711 1 stop_ loop_ _Order_parameter_software.Software_ID _Order_parameter_software.Software_label _Order_parameter_software.Method_ID _Order_parameter_software.Method_label _Order_parameter_software.Entry_ID _Order_parameter_software.Order_parameter_list_ID 1 $relax . . 26711 1 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 2 2 3 3 GLN N N 15 0.505265468359 0.0181581759032 . . . . 9.45828426032e-10 6.03491976389e-11 . . . 'S2f, S2, ts' 0.7632132497 0.022494113085 0.662023973715 0.0200603420719 . . . . . . . . . 26711 1 2 . 2 2 8 8 ILE N N 15 0.679227765896 0.0369602319114 1.14234611241e-11 4.20461838543e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 3 . 2 2 9 9 GLN N N 15 0.901118403815 0.0516986103572 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 4 . 2 2 12 12 SER N N 15 0.882440552925 0.0426781596118 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 5 . 2 2 13 13 ARG N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 6 . 2 2 14 14 HIS N N 15 0.852363197755 0.0320872824627 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 7 . 2 2 17 17 GLU N N 15 0.879717879655 0.0507560379868 2.71279204607e-11 1.21998464219e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 8 . 2 2 19 19 GLY N N 15 0.892428192079 0.0607754518013 2.2309653258e-11 2.48605696472e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 9 . 2 2 20 20 LYS N N 15 0.934969762743 0.0195781548057 3.80847882532e-11 4.83962878852e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 10 . 2 2 23 23 PHE N N 15 0.82683091313 0.0507405254231 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 11 . 2 2 25 25 ASN N N 15 0.751778813147 0.0734058417929 1.30169148252e-11 9.22995178597e-12 . . . . 1.58359930809e-37 9.797141546e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 1 12 . 2 2 26 26 CYS N N 15 0.831695596577 0.0497522639828 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 13 . 2 2 27 27 TYR N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 14 . 2 2 29 29 SER N N 15 0.801619786008 0.072725358672 1.13729328497e-11 3.70336911716e-11 . . . . 2.24916173856e-37 9.36596679825e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 1 15 . 2 2 30 30 GLY N N 15 0.675574917264 0.0734082598182 9.21886094916e-12 4.6680090857e-12 . . . . 1.76519016579e-37 8.02889363222e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 1 16 . 2 2 31 31 PHE N N 15 0.884508920155 0.0364130422661 1.79484522499e-11 5.86698523029e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 17 . 2 2 34 34 SER N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 18 . 2 2 35 35 ASP N N 15 0.890739627896 0.018301929762 2.7246709489e-11 7.74697511841e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 19 . 2 2 37 37 GLU N N 15 0.855515301429 0.0585684909315 1.49526039384e-11 7.45352133733e-11 . . . . 1.3264140607e-37 7.18229874102e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 1 20 . 2 2 38 38 VAL N N 15 0.845224443765 0.028794725265 9.36503819394e-12 6.70671420517e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 21 . 2 2 40 40 LEU N N 15 0.77840330116 0.0357409873502 8.49731245396e-12 5.54110787604e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 22 . 2 2 41 41 LEU N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 23 . 2 2 43 43 ASN N N 15 0.829574571792 0.0430803016145 1.13388913468e-11 5.88996025181e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 24 . 2 2 44 44 GLY N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 25 . 2 2 45 45 GLU N N 15 0.869490945203 0.0284142117411 2.08981176248e-11 7.87324913843e-12 . . . . 1.05242010632e-37 3.44677197039e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 1 26 . 2 2 46 46 ARG N N 15 0.918418565738 0.0464916236815 2.55237856967e-11 7.46081354887e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 27 . 2 2 47 47 ILE N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 28 . 2 2 48 48 GLU N N 15 0.923171995624 0.0295479646226 7.07454336483e-11 1.29595394251e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 29 . 2 2 49 49 LYS N N 15 0.784863060945 0.0190701689611 3.30982660086e-11 5.0218070343e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 30 . 2 2 51 51 GLU N N 15 0.776249327213 0.043979618602 2.05272896196e-11 7.00635758057e-12 . . . . 1.49510903302e-37 5.70413131615e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 1 31 . 2 2 52 52 HIS N N 15 0.849470695328 0.0188201784146 1.79197381783e-11 5.26479022139e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 32 . 2 2 53 53 SER N N 15 0.951495323751 0.0429360108875 8.91057859828e-11 2.92669059679e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 33 . 2 2 54 54 ASP N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 34 . 2 2 55 55 LEU N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 35 . 2 2 56 56 SER N N 15 0.898564840735 0.0604001690848 3.06492249828e-11 3.13604971951e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 36 . 2 2 57 57 PHE N N 15 0.76789165051 0.0456944615062 1.40219701142e-11 5.66387014647e-12 . . . . 8.7401044175e-38 4.82675095386e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 1 37 . 2 2 58 58 SER N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 38 . 2 2 60 60 ASP N N 15 0.900621978232 0.0380273762536 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 39 . 2 2 61 61 TRP N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 40 . 2 2 61 61 TRP NE1 N 15 0.748527979101 0.0314725782326 1.14215231882e-11 4.69560951126e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 41 . 2 2 62 62 SER N N 15 0.870234061821 0.0677913042334 1.81067324081e-11 1.19195227276e-10 . . . . 3.1109312099e-37 1.04831712788e-37 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 1 42 . 2 2 63 63 PHE N N 15 0.606744542091 0.0491328961772 . . . . 8.62142754623e-10 1.62445588042e-10 . . . 'S2f, S2, ts' 0.734598886001 0.0484208836546 0.825953528727 0.0367523627101 . . . . . . . . . 26711 1 43 . 2 2 64 64 TYR N N 15 0.844864976058 0.0631653483854 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 44 . 2 2 65 65 LEU N N 15 0.831641021506 0.0521954995271 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 45 . 2 2 66 66 LEU N N 15 0.762516406651 0.0682064057526 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 46 . 2 2 67 67 TYR N N 15 0.890558857909 0.0616385130696 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 47 . 2 2 68 68 TYR N N 15 0.758190982574 0.0535798453557 8.63854686271e-12 5.09872571953e-12 . . . . 2.18736429911e-37 7.2566056996e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 1 48 . 2 2 69 69 THR N N 15 0.839355907441 0.043068553829 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 49 . 2 2 70 70 GLU N N 15 0.879925688477 0.024695711126 2.21099754663e-11 9.34489453944e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 50 . 2 2 71 71 PHE N N 15 0.909565326315 0.0412213771979 3.94514047584e-11 5.14325010284e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 51 . 2 2 72 72 THR N N 15 0.701222992413 0.0570338775045 5.94470706105e-12 3.63666281875e-12 . . . . 2.28233460767e-37 6.2519901346e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 1 52 . 2 2 74 74 THR N N 15 0.875907211811 0.0291434796477 1.63894996047e-11 1.25678209457e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 53 . 2 2 75 75 GLU N N 15 0.872345684737 0.11969232821 9.52788396078e-10 1.56280928752e-09 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 54 . 2 2 76 76 LYS N N 15 0.692581450371 0.0254224225751 . . . . 8.31976929324e-10 8.53812260306e-11 . . . 'S2f, S2, ts' 0.825587384617 0.0256102292366 0.838895389241 0.0187897112578 . . . . . . . . . 26711 1 55 . 2 2 77 77 ASP N N 15 0.834409541002 0.0248782387033 . . . . 8.24845170206e-10 8.76241900131e-10 . . . 'S2f, S2, ts' 0.8749095355 0.0236798316289 0.953709506121 0.0131258789264 . . . . . . . . . 26711 1 56 . 2 2 79 79 TYR N N 15 0.895392971786 0.038819597737 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 57 . 2 2 81 81 CYS N N 15 0.904970889007 0.038682748595 2.45489725135e-11 8.24338665234e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 58 . 2 2 82 82 ARG N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 59 . 2 2 83 83 VAL N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 60 . 2 2 84 84 ASN N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 61 . 2 2 85 85 HIS N N 15 0.91441509071 0.0258072006354 1.69030356056e-11 1.97033768963e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 62 . 2 2 86 86 VAL N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 63 . 2 2 87 87 THR N N 15 0.917508776864 0.0420285618846 2.99754760104e-11 7.23224612513e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 64 . 2 2 88 88 LEU N N 15 0.954084887691 0.0253683491901 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 65 . 2 2 90 90 GLN N N 15 0.863271425028 0.0158545536975 . . . . 7.39331303771e-10 9.92350948257e-11 . . . 'S2f, S2, ts' 0.916558063339 0.0135271679886 0.941862233892 0.00685803306153 . . . . . . . . . 26711 1 66 . 2 2 92 92 LYS N N 15 0.912756526457 0.041665684451 2.10410421414e-11 1.82143404717e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 67 . 2 2 93 93 ILE N N 15 0.866242950503 0.0220961800758 4.43210232249e-11 1.25413516944e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 68 . 2 2 94 94 VAL N N 15 0.90275671158 0.043620273938 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 69 . 2 2 95 95 LYS N N 15 0.836841235504 0.0417684146768 . . . . 1.79974276032e-09 2.59203937599e-09 . . . 'S2f, S2, ts' 0.869377949069 0.0368115650828 0.962574719545 0.0203917585164 . . . . . . . . . 26711 1 70 . 2 2 96 96 TRP N N 15 0.828116426529 0.0470181148839 2.08936180697e-11 1.92026228245e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 1 71 . 2 2 96 96 TRP NE1 N 15 0.742241822453 0.0416348081037 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 72 . 2 2 97 97 ASP N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26711 1 73 . 2 2 98 98 ARG N N 15 0.902395365341 0.0521210796512 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 74 . 2 2 99 99 ASP N N 15 0.948148394082 0.0241881736968 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 1 75 . 2 2 100 100 MET N N 15 0.774838349982 0.0215933904714 . . . . 6.50121695481e-10 1.19108812348e-10 . . . 'S2f, S2, ts' 0.837291710594 0.0227359007805 0.925410272403 0.0134628144674 . . . . . . . . . 26711 1 stop_ save_ ###################### # Order parameters # ###################### save_order_parameter_list_bottom _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_bottom _Order_parameter_list.Entry_ID 26711 _Order_parameter_list.ID 2 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units s _Order_parameter_list.Tau_f_val_units s _Order_parameter_list.Tau_s_val_units s _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details 'Bond_length_val: 1.02e-10.' _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 1 '600.18 MHz R1' 1 $sample_1 . 26711 2 2 '600.18 MHz R2' . . . 26711 2 3 '600.18 MHz steady-state NOE' . . . 26711 2 4 '750.46 MHz R1' . . . 26711 2 5 '750.46 MHz R2' . . . 26711 2 6 '750.46 MHz steady-state NOE' . . . 26711 2 stop_ loop_ _Order_parameter_software.Software_ID _Order_parameter_software.Software_label _Order_parameter_software.Method_ID _Order_parameter_software.Method_label _Order_parameter_software.Entry_ID _Order_parameter_software.Order_parameter_list_ID 1 $relax . . 26711 2 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 201 201 LYS N N 15 0.815298129241 0.011464238226 5.90385929478e-12 2.8901429613e-12 . . . . 1.00144390801e-37 2.03901298329e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 2 . 1 1 202 202 THR N N 15 0.882901803374 0.00966134511031 . . . . 7.12499361127e-10 9.6647108928e-10 . . . 'S2f, S2, ts' 0.905037988088 0.011274784923 0.974225113205 0.00771976546683 . . . . . . . . . 26711 2 3 . 1 1 203 203 HIS N N 15 0.852757283276 0.00980448399407 1.14823513219e-11 3.82527247919e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 2 4 . 1 1 205 205 THR N N 15 0.849469358989 0.0105416638786 1.01272755426e-11 3.39412846231e-12 . . . . 1.23130148391e-37 1.54765528833e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 5 . 1 1 206 206 HIS N N 15 0.823712916387 0.0117312315854 . . 1.41048974992e-11 6.31961863971e-12 3.07900103631e-09 3.85689253726e-09 . . . 'S2f, tf, S2, ts' 0.847391734122 0.00934006832944 0.970725887398 0.011976163097 . . . . . . . . . 26711 2 6 . 1 1 209 209 ILE N N 15 0.838739317838 0.0133134775445 . . . . 4.55777472071e-10 1.61490819485e-10 . . . 'S2f, S2, ts' 0.868571277428 0.025284996688 0.963029193741 0.0199122971503 . . . . . . . . . 26711 2 7 . 1 1 210 210 SER N N 15 0.737012798956 0.00911829664351 . . . . 1.06150186507e-09 9.17350830977e-11 . . . 'S2f, S2, ts' 0.872363196214 0.00958531469982 0.842559897165 0.00612164792768 . . . . . . . . . 26711 2 8 . 1 1 212 212 HIS N N 15 0.342710531138 0.175918920924 . . . . 1.56658114828e-09 6.75844546107e-10 2.9261982926e-37 1.42821934444e-37 . 'S2f, S2, ts, Rex' 0.475595351976 0.143628024474 0.718921128282 0.236863063995 . . . . . . . . . 26711 2 9 . 1 1 213 213 GLU N N 15 0.889116696315 0.00828859318945 3.04893605309e-11 5.79211592135e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 2 10 . 1 1 214 214 ALA N N 15 0.853672520094 0.0093277557645 6.37455017249e-12 3.31309766331e-12 . . . . 4.94969330374e-38 1.219739318e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 11 . 1 1 215 215 THR N N 15 0.803421902816 0.0086731305003 5.14482081872e-12 2.58021275424e-12 . . . . 7.15643344438e-38 1.13260231331e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 12 . 1 1 218 218 CYS N N 15 0.880702147263 0.0104906299827 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 2 13 . 1 1 219 219 TRP N N 15 0.835102272085 0.0091561021719 . . . . . . 1.15493787341e-37 1.78471509743e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 2 14 . 1 1 220 220 ALA N N 15 0.83108237171 0.00910680423909 . . . . . . 1.05867747637e-37 1.92160483783e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 2 15 . 1 1 222 222 GLY N N 15 0.762598314951 0.0116942541476 1.62347087532e-11 2.70098430778e-12 . . . . 3.39864686639e-38 1.4658153438e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 16 . 1 1 228 228 ILE N N 15 0.837520120304 0.0104136789799 1.05392015967e-11 3.65349664018e-12 . . . . 9.54833668468e-38 1.36943890899e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 17 . 1 1 230 230 LEU N N 15 0.846979738902 0.00588345629141 1.16639707857e-11 2.78637314544e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 2 18 . 1 1 231 231 THR N N 15 0.863453441618 0.00647929370838 1.51117527239e-11 3.28646554322e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 2 19 . 1 1 232 232 TRP N N 15 0.856329348565 0.00859735838256 1.33182486788e-11 3.63970925588e-12 . . . . 4.52621759214e-38 1.07125336795e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 20 . 1 1 233 233 GLN N N 15 0.864617523012 0.00711866352231 1.15337831715e-11 3.59070394593e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 2 21 . 1 1 234 234 ARG N N 15 0.865164698961 0.00636864408518 2.25330565889e-11 3.41462558867e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 2 22 . 1 1 235 235 ASP N N 15 0.882582111951 0.015687424776 . . 4.40889051373e-11 2.06962137229e-11 3.20586340226e-09 4.21390578752e-09 . . . 'S2f, tf, S2, ts' 0.919440653578 0.0132938250182 0.958710140597 0.0169652830994 . . . . . . . . . 26711 2 23 . 1 1 236 236 GLY N N 15 0.834167208316 0.0154036672377 . . . . 1.44745534652e-09 7.42120165932e-10 . . . 'S2f, S2, ts' 0.881874298258 0.0135638190972 0.944135459485 0.00700786265859 . . . . . . . . . 26711 2 24 . 1 1 237 237 GLU N N 15 0.952123395968 0.00643966098488 1.04923039668e-10 1.84970041439e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 2 25 . 1 1 242 242 ASP N N 15 0.850126555673 0.0162112365712 . . 3.45523496468e-11 1.70726190546e-11 2.41616412167e-09 3.50487172966e-09 . . . 'S2f, tf, S2, ts' 0.88044122356 0.0161656045891 0.96309607335 0.0164349834335 . . . . . . . . . 26711 2 26 . 1 1 243 243 THR N N 15 0.824323767993 0.00865656708767 . . . . 5.35518138033e-10 6.61678168674e-11 . . . 'S2f, S2, ts' 0.881855037783 0.00757039891428 0.93421931387 0.00473070256742 . . . . . . . . . 26711 2 27 . 1 1 244 244 GLU N N 15 0.863433212797 0.0113037384287 1.35251682062e-11 4.07218191643e-12 . . . . 5.21294769113e-38 1.70851554117e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 28 . 1 1 245 245 LEU N N 15 0.782674839622 0.0162305811223 . . . . 8.14986646916e-09 4.86462973617e-09 . . . 'S2f, S2, ts' 0.835444509782 0.00921034038854 0.936704267768 0.0233679479227 . . . . . . . . . 26711 2 29 . 1 1 246 246 VAL N N 15 0.854876740875 0.00789670736005 2.85715975968e-11 3.65612763384e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 2 30 . 1 1 247 247 GLU N N 15 0.814944040974 0.00841043031433 . . . . 6.40201435708e-10 2.02813002092e-10 . . . 'S2f, S2, ts' 0.837424490542 0.0103645771088 0.97161848069 0.00793783888684 . . . . . . . . . 26711 2 31 . 1 1 249 249 ARG N N 15 0.88943715077 0.0119188180736 . . . . . . 1.47775907391e-37 2.80088265128e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 2 32 . 1 1 251 251 ALA N N 15 0.82142420792 0.0123951125858 . . . . . . 1.5770056929e-37 1.88823368337e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 2 33 . 1 1 252 252 GLY N N 15 0.8870436033 0.0338540317195 . . . . 7.9754592115e-10 1.26675642263e-09 . . . 'S2f, S2, ts' 0.91869860744 0.0321323491138 0.964101037485 0.0151613536325 . . . . . . . . . 26711 2 34 . 1 1 253 253 ASP N N 15 0.979152329923 0.00961123871208 6.86375952834e-10 2.75475474258e-09 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 2 35 . 1 1 255 255 THR N N 15 0.77140923786 0.0254558453784 . . . . 6.84907993767e-10 9.53352547181e-11 . . . 'S2f, S2, ts' 0.867631929772 0.0215934116241 0.887603101474 0.0117280527838 . . . . . . . . . 26711 2 36 . 1 1 256 256 PHE N N 15 0.859568479985 0.0177271769177 1.13377215033e-11 6.06992326644e-12 . . . . 6.78670584502e-38 2.57534250894e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 37 . 1 1 257 257 GLN N N 15 0.7935313155 0.0112450211449 4.68623601335e-12 2.61086394726e-12 . . . . 9.03729083938e-38 1.73237346947e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 38 . 1 1 259 259 TRP N N 15 0.775988519788 0.00767159906153 . . . . . . 1.3041809747e-37 1.61313992584e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 2 39 . 1 1 260 260 ALA N N 15 0.86202250526 0.00987391693021 6.22555514969e-12 3.20178349168e-12 . . . . 5.37666916239e-38 1.8002243538e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 40 . 1 1 261 261 ALA N N 15 0.834977623417 0.0150251939649 6.73581721853e-12 4.09527722674e-12 . . . . 7.07018999766e-38 2.8832258169e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 41 . 1 1 263 263 VAL N N 15 0.794128962856 0.0108259441657 . . 9.69791603692e-12 3.86838608548e-12 4.37127438409e-09 3.88744309053e-09 . . . 'S2f, tf, S2, ts' 0.808952367388 0.00883929873194 0.981166699098 0.00851693440342 . . . . . . . . . 26711 2 42 . 1 1 266 266 SER N N 15 0.815358438603 0.00610938581816 1.46423660081e-11 2.10083731193e-12 . . . . 8.80675630296e-38 7.44417432763e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 43 . 1 1 267 267 GLY N N 15 0.784398815002 0.0143678322779 . . 1.81205619428e-11 5.6764346863e-12 2.20437908762e-08 5.06775097819e-09 . . . 'S2f, tf, S2, ts' 0.85491302937 0.0106272984877 0.922608876197 0.0139923782351 . . . . . . . . . 26711 2 44 . 1 1 269 269 GLU N N 15 0.807218570018 0.0136346950621 1.24753913966e-11 3.5962337752e-12 . . . . 1.44496284656e-37 1.95728025393e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 45 . 1 1 270 270 GLN N N 15 0.903789166717 0.0128839818646 2.93985333349e-11 7.26227319611e-12 . . . . 6.07038034926e-38 1.41021263136e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 46 . 1 1 272 272 TYR N N 15 0.699981036068 0.00968461902436 . . 9.78970867224e-12 4.60951367154e-12 2.29716342329e-09 1.6314751323e-09 . . . 'S2f, tf, S2, ts' 0.748274683511 0.0101311752817 0.934605030397 0.0104032468018 . . . . . . . . . 26711 2 47 . 1 1 273 273 THR N N 15 0.877150789879 0.0112557914894 . . . . 1.17945130601e-09 2.3021074695e-09 . . . 'S2f, S2, ts' 0.890060773234 0.00939066447652 0.985141464808 0.00456910516861 . . . . . . . . . 26711 2 48 . 1 1 274 274 CYS N N 15 0.864570820224 0.00958250125793 . . . . . . 5.09408642796e-38 1.61694817867e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 2 49 . 1 1 275 275 HIS N N 15 0.890322793118 0.00653819842383 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 2 50 . 1 1 276 276 VAL N N 15 0.842915950738 0.00791961122587 . . . . . . 3.12802231137e-38 1.364648955e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 2 51 . 1 1 278 278 HIS N N 15 0.832129646823 0.0067191650645 4.0296618831e-12 2.6785521216e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 2 52 . 1 1 279 279 GLU N N 15 0.926192339875 0.00881620598038 4.21995244942e-11 9.13794729991e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 2 53 . 1 1 280 280 GLY N N 15 0.822523495855 0.0194960693548 1.07432422868e-11 6.12158236502e-12 . . . . 1.28208681288e-37 2.90631056054e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 2 54 . 1 1 283 283 LYS N N 15 0.825882499812 0.0116198106044 . . . . 3.62925488284e-10 1.00886081516e-10 . . . 'S2f, S2, ts' 0.875118439379 0.0229767259912 0.942223030114 0.0166783907675 . . . . . . . . . 26711 2 55 . 1 1 287 287 LEU N N 15 0.873752383239 0.00781839231838 1.55349384517e-11 3.98184062238e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 2 56 . 1 1 288 288 ARG N N 15 0.69338261891 0.0489671556375 . . 8.19488329915e-12 2.31667448581e-12 8.49558658358e-09 5.12807427043e-09 5.61617507917e-38 3.04919399165e-38 . 'S2f, tf, S2, ts, Rex' 0.764111997188 0.0269418845742 0.908745823989 0.0445870861249 . . . . . . . . . 26711 2 57 . 1 1 289 289 TRP N N 15 0.810499462168 0.00613271273607 . . . . 9.97957326213e-10 1.06011810285e-10 . . . 'S2f, S2, ts' 0.857481738641 0.005577090741 0.946468640183 0.00338212423127 . . . . . . . . . 26711 2 58 . 1 1 290 290 GLU N N 15 0.651910326347 0.00414451076522 . . 5.0578421531e-11 2.16106530796e-12 2.78771590901e-09 6.08946037113e-10 . . . 'S2f, tf, S2, ts' 0.709327112919 0.00388807077271 0.91708243216 0.00388398867376 . . . . . . . . . 26711 2 stop_ save_ ###################### # Order parameters # ###################### save_order_parameter_list_top _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_top _Order_parameter_list.Entry_ID 26711 _Order_parameter_list.ID 3 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units s _Order_parameter_list.Tau_f_val_units s _Order_parameter_list.Tau_s_val_units s _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details 'Bond_length_val: 1.02e-10.' _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 1 '600.18 MHz R1' 1 $sample_1 . 26711 3 2 '600.18 MHz R2' . . . 26711 3 3 '600.18 MHz steady-state NOE' . . . 26711 3 4 '750.46 MHz R1' . . . 26711 3 5 '750.46 MHz R2' . . . 26711 3 6 '750.46 MHz steady-state NOE' . . . 26711 3 stop_ loop_ _Order_parameter_software.Software_ID _Order_parameter_software.Software_label _Order_parameter_software.Method_ID _Order_parameter_software.Method_label _Order_parameter_software.Entry_ID _Order_parameter_software.Order_parameter_list_ID 1 $relax . . 26711 3 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 17 17 SER N N 15 0.689872084513 0.00838070000784 . . 3.88191377934e-11 4.95286639876e-12 3.27631087325e-09 9.17333688627e-10 . . . 'S2f, tf, S2, ts' 0.786137949199 0.00664607822411 0.86752806441 0.00928198546499 . . . . . . . . . 26711 3 2 . 1 1 19 19 SER N N 15 0.743846891194 0.0205351371642 7.31141339181e-12 3.21544935373e-12 . . . . 2.26360761229e-37 3.22708458317e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 3 . 1 1 28 28 SER N N 15 0.877945420291 0.010942322681 1.11975482318e-11 5.13119382415e-12 . . . . 1.20150223016e-37 1.39958668571e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 4 . 1 1 31 31 GLY N N 15 0.370307366539 0.0591549200087 . . 1.96347092975e-11 8.2463547745e-12 2.44616227017e-09 4.82413707578e-09 . . . 'S2f, tf, S2, ts' 0.504353246129 0.0330008116244 0.731697103948 0.116995554751 . . . . . . . . . 26711 3 5 . 1 1 33 33 GLY N N 15 0.253509940507 0.326851195201 6.47289939135e-12 4.16395241799e-10 . . . . 1.75166919855e-35 6.70527321108e-36 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 6 . 1 1 34 34 GLU N N 15 0.757937961404 0.0111385740226 . . . . 1.09141604211e-09 1.39127387987e-10 . . . 'S2f, S2, ts' 0.858780804743 0.0108823537081 0.875598649476 0.0075247363886 . . . . . . . . . 26711 3 7 . 1 1 36 36 ARG N N 15 0.879612245845 0.012240303192 . . . . 1.75127425176e-09 2.05161961296e-09 . . . 'S2f, S2, ts' 0.905134453189 0.0100297036026 0.965847597707 0.00649844664986 . . . . . . . . . 26711 3 8 . 1 1 37 37 PHE N N 15 0.913304599122 0.0110011618946 1.87387273325e-11 7.35394096609e-12 . . . . 4.07625136774e-41 8.48452007592e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 9 . 1 1 38 38 ILE N N 15 0.903162495931 0.00769536068297 1.2627377137e-11 5.60930779949e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 3 10 . 1 1 40 40 VAL N N 15 0.784496131494 0.0189547656323 . . . . 1.33628242054e-09 1.26308128026e-09 . . . 'S2f, S2, ts' 0.837568917313 0.0163704285535 0.935582648382 0.00940263846441 . . . . . . . . . 26711 3 11 . 1 1 41 41 GLY N N 15 0.862760452033 0.0210279369109 . . . . . . 6.78820366994e-38 3.45168310872e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 12 . 1 1 44 44 ASP N N 15 0.796725476713 0.0130917482849 . . . . . . 1.74758034666e-37 2.21667581276e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 13 . 1 1 45 45 ASP N N 15 0.841019762342 0.0293193234078 . . . . . . 1.69324905192e-37 4.30197942922e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 14 . 1 1 46 46 THR N N 15 0.854949897382 0.024349349106 . . . . . . 1.83171972268e-37 4.13891381015e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 15 . 1 1 47 47 LEU N N 15 0.786925997922 0.0221501192642 . . . . . . 1.77810042976e-37 3.65650222204e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 16 . 1 1 49 49 VAL N N 15 0.897384131841 0.0278110779261 . . . . . . 2.86707177066e-37 7.11168499129e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 17 . 1 1 50 50 ARG N N 15 0.803369750617 0.0193338797186 . . . . 1.4964082299e-09 1.93411745846e-09 . . . 'S2f, S2, ts' 0.838276684363 0.0160866850418 0.954872550369 0.00996693406257 . . . . . . . . . 26711 3 18 . 1 1 51 51 PHE N N 15 0.885292875662 0.012381852422 . . . . . . 1.74736216908e-37 2.20489736978e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 19 . 1 1 52 52 ASP N N 15 0.609825414372 0.086729439657 . . . . 5.73490599272e-09 4.69146569853e-09 1.95793119051e-37 5.63729873329e-38 . 'S2f, S2, ts, Rex' 0.690218284008 0.0500917884197 0.876835654845 0.081431238437 . . . . . . . . . 26711 3 20 . 1 1 53 53 SER N N 15 0.881885687064 0.0103316853157 . . . . . . 4.96123545094e-38 1.46738894947e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 21 . 1 1 54 54 ASP N N 15 0.863462496156 0.00945134642479 8.41422373118e-12 3.93303120021e-12 . . . . 1.47768068396e-37 1.29244703931e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 22 . 1 1 55 55 ALA N N 15 0.658016672613 0.0255729922434 . . . . 4.38537953096e-10 4.13014337911e-11 9.45306536971e-38 1.86477433909e-38 . 'S2f, S2, ts, Rex' 0.795472872737 0.0202416530076 0.821883444139 0.0117128251517 . . . . . . . . . 26711 3 23 . 1 1 57 57 SER N N 15 0.661180990213 0.0170800756425 . . 3.09980044875e-11 1.17957137164e-11 1.20146401674e-09 2.59530208618e-09 . . . 'S2f, tf, S2, ts' 0.712198234662 0.0270022061354 0.929965764733 0.0296700762999 . . . . . . . . . 26711 3 24 . 1 1 63 63 ARG N N 15 0.76573316274 0.0187480390965 . . . . . . 2.09923069359e-37 2.98327875284e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 25 . 1 1 64 64 ALA N N 15 0.821508779293 0.0167852301829 . . . . . . 1.54476701295e-37 3.7436405263e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 26 . 1 1 66 66 TRP N N 15 0.965759639614 0.0161368522627 6.7723980973e-11 2.85197641465e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 3 27 . 1 1 67 67 ILE N N 15 0.875207218394 0.0265312887963 2.04518659444e-11 1.01299549211e-11 . . . . 1.97889785692e-37 4.35505859744e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 28 . 1 1 68 68 GLU N N 15 0.84326988321 0.0201382161936 1.27557845712e-11 6.17128022718e-12 . . . . 1.77057864378e-37 3.44469344662e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 29 . 1 1 70 70 GLU N N 15 0.871412952338 0.0125297032416 1.90250612292e-11 4.33090063626e-12 . . . . 1.03663156759e-37 1.74680403292e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 30 . 1 1 71 71 GLY N N 15 0.529819550954 0.034708825264 . . . . 4.22305121947e-08 6.20706662367e-09 . . . 'S2f, S2, ts' 0.872564487739 0.014656218327 0.963862358619 0.0525353112025 . . . . . . . . . 26711 3 31 . 1 1 73 73 GLU N N 15 0.908773275456 0.0119740024948 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 3 32 . 1 1 74 74 TYR N N 15 0.87515939112 0.0163045363497 . . . . 1.41948530097e-09 1.84617461033e-09 . . . 'S2f, S2, ts' 0.903752822914 0.01403063087 0.963803073318 0.00711568984961 . . . . . . . . . 26711 3 33 . 1 1 77 77 ARG N N 15 0.935424759838 0.0124689502087 2.63884539912e-11 8.85265782852e-12 . . . . 2.78948070338e-38 1.68864315679e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 34 . 1 1 82 82 CYS N N 15 0.959955710414 0.0212174367123 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 3 35 . 1 1 83 83 LYS N N 15 0.929119066926 0.0135217881578 . . . . . . 5.19739668819e-38 2.32572193405e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 36 . 1 1 87 87 GLN N N 15 0.938439968562 0.0135088292653 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 3 37 . 1 1 90 90 ARG N N 15 0.954566453871 0.0132236933116 3.11919870311e-11 2.40841664221e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 3 38 . 1 1 92 92 ASP N N 15 0.966782403831 0.0184168259925 . . . . . . 8.39934118399e-38 2.74650261583e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 39 . 1 1 93 93 LEU N N 15 0.923729564137 0.0104813743104 . . . . . . 7.05519380744e-38 1.86144213334e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 40 . 1 1 94 94 ARG N N 15 0.92859747036 0.0172423464953 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 3 41 . 1 1 95 95 THR N N 15 0.185672102427 0.00120619926433 . . . . 9.69228445451e-10 1.24213998308e-11 . . . 'S2f, S2, ts' 0.706133629356 0.00431679166552 0.261088769609 0.00197740234321 . . . . . . . . . 26711 3 42 . 1 1 96 96 LEU N N 15 0.86862140263 0.0378624224396 . . . . 1.22401882704e-09 1.78891886271e-09 . . . 'S2f, S2, ts' 0.915751582209 0.0311006436964 0.939142301257 0.0155909481472 . . . . . . . . . 26711 3 43 . 1 1 100 100 TYR N N 15 0.849921328374 0.0126788661826 . . . . . . 9.69094566624e-38 2.25382976732e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 44 . 1 1 102 102 GLN N N 15 0.938407509152 0.0159081240666 4.47349037e-11 1.81800793757e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 3 45 . 1 1 106 106 GLY N N 15 0.607688277111 0.0218394850423 . . . . 4.82894391804e-10 4.48673794075e-11 . . . 'S2f, S2, ts' 0.787184978287 0.0215379932012 0.785090060306 0.0166933736032 . . . . . . . . . 26711 3 46 . 1 1 107 107 SER N N 15 0.744145110267 0.0138563810584 . . 1.92149489675e-11 7.90769389559e-12 2.69671702584e-09 2.96466799048e-09 . . . 'S2f, tf, S2, ts' 0.762631412023 0.0153112046834 0.978116355223 0.0151160734539 . . . . . . . . . 26711 3 47 . 1 1 108 108 HIS N N 15 0.847464272942 0.012307262084 . . . . 7.39422526653e-10 9.40564798648e-10 . . . 'S2f, S2, ts' 0.859011809798 0.031011555714 0.983137338965 0.0261891845607 . . . . . . . . . 26711 3 48 . 1 1 109 109 THR N N 15 0.864319458166 0.00652024496182 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 3 49 . 1 1 110 110 LEU N N 15 0.872923517662 0.0153344590429 . . . . . . 2.67354444456e-37 3.37382151701e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 50 . 1 1 112 112 ASN N N 15 0.813672038783 0.0190429812793 1.29414260555e-11 5.35123041112e-12 . . . . 1.05497573044e-37 2.73728996106e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 51 . 1 1 115 115 GLY N N 15 0.876592387982 0.0266653247522 1.65454289157e-11 9.0460165569e-12 . . . . 1.41353736233e-37 4.34074553148e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 52 . 1 1 116 116 CYS N N 15 0.886938918642 0.0231451771728 . . . . . . 4.76457407048e-38 3.24402541519e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 53 . 1 1 118 118 VAL N N 15 0.800511705071 0.0110337280907 . . . . . . 2.12470635079e-37 2.21223836312e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 54 . 1 1 119 119 GLY N N 15 0.819941419143 0.0134084986014 7.87033529281e-12 3.6818199984e-12 . . . . 1.20937434927e-37 2.0990908175e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 55 . 1 1 121 121 ASP N N 15 0.806271284946 0.0114624851566 . . . . 9.67985995677e-10 1.2667779241e-10 . . . 'S2f, S2, ts' 0.885760213641 0.0112029438346 0.905666138216 0.00614761193802 . . . . . . . . . 26711 3 56 . 1 1 122 122 GLY N N 15 0.89616805881 0.0198549914911 . . . . 8.13758448859e-10 1.27766508069e-09 . . . 'S2f, S2, ts' 0.922034970586 0.0177895773071 0.971080038864 0.00769629830835 . . . . . . . . . 26711 3 57 . 1 1 125 125 LEU N N 15 0.867791333882 0.0255432814513 . . . . . . 1.24269640193e-37 4.07368768584e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 58 . 1 1 126 126 ARG N N 15 0.851825651673 0.0204492345529 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 3 59 . 1 1 127 127 GLY N N 15 0.875730423207 0.0201245097965 1.83278082025e-11 8.75332922391e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 3 60 . 1 1 129 129 HIS N N 15 0.830134229129 0.0223569308278 . . . . . . 1.25163149803e-37 3.13262665989e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 61 . 1 1 130 130 GLN N N 15 0.910649658379 0.0200718048867 . . . . . . 1.27870549106e-37 3.31648981425e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 62 . 1 1 132 132 ALA N N 15 0.860059421137 0.020437744253 . . . . . . 2.02436771615e-37 3.58540838335e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 63 . 1 1 134 134 ASP N N 15 0.846250122496 0.0203226813505 1.95503746161e-11 6.67031920609e-12 . . . . 8.70302135406e-38 2.98825655612e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 64 . 1 1 135 135 GLY N N 15 0.872690987339 0.0235352715095 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 3 65 . 1 1 137 137 ASP N N 15 0.88936453583 0.015792034308 2.46104774736e-11 7.9079811876e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 3 66 . 1 1 139 139 ILE N N 15 0.861846706871 0.0248521933541 2.0584899711e-11 8.2863548325e-12 . . . . 1.31044423107e-37 3.50629144053e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 67 . 1 1 140 140 ALA N N 15 0.861459108705 0.0145679001914 . . . . . . 1.89912829689e-37 2.505503659e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 68 . 1 1 141 141 LEU N N 15 0.847299659687 0.0359791784303 . . . . . . 7.89248184247e-38 4.26340684642e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 69 . 1 1 143 143 GLU N N 15 0.93039762233 0.0128209051783 1.27864227628e-11 1.07016653287e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 3 70 . 1 1 144 144 ASP N N 15 0.832819821854 0.0218523926969 . . . . 7.40336798022e-09 4.7173694222e-09 . . . 'S2f, S2, ts' 0.904441695216 0.0138254735519 0.910493915374 0.0298964615667 . . . . . . . . . 26711 3 71 . 1 1 145 145 LEU N N 15 0.895960252587 0.0102955540672 . . . . . . 9.82625024403e-38 1.67045021488e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 72 . 1 1 146 146 SER N N 15 0.832828918418 0.0177927312771 1.03369719301e-11 5.14658297301e-12 . . . . 8.94443932286e-38 2.5930726292e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 73 . 1 1 147 147 SER N N 15 0.72626525681 0.0171741786901 1.90189626291e-11 2.81588198773e-12 . . . . 9.26672110356e-38 2.23228031052e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 74 . 1 1 149 149 THR N N 15 0.82478113834 0.00924795546364 . . . . . . 4.02108709521e-38 1.24989624447e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 75 . 1 1 150 150 ALA N N 15 0.932418692902 0.00776600271602 . . . . . . -5.59888349117e-58 6.71711246905e-39 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 76 . 1 1 151 151 ALA N N 15 0.871569010049 0.011621967846 . . . . 8.86722766165e-10 1.60045777383e-10 . . . 'S2f, S2, ts' 0.921781192874 0.0102984975749 0.964573422786 0.00563325012883 . . . . . . . . . 26711 3 77 . 1 1 152 152 ASP N N 15 0.865049290939 0.015812543076 . . 3.33092416628e-11 1.61860284187e-11 1.84164306695e-09 2.80132706772e-09 . . . 'S2f, tf, S2, ts' 0.891525860812 0.0165540298306 0.962927928854 0.0124173537283 . . . . . . . . . 26711 3 78 . 1 1 153 153 THR N N 15 0.947559133297 0.0211945775093 6.86502979028e-10 2.52838554011e-09 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 3 79 . 1 1 154 154 ALA N N 15 0.973157574056 0.00705872361609 5.90405143028e-10 4.85094534645e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 3 80 . 1 1 155 155 ALA N N 15 0.895905003724 0.0191642242277 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 3 81 . 1 1 156 156 GLN N N 15 0.933835267789 0.0110121468591 . . . . . . 1.07569949234e-38 1.33607240264e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 82 . 1 1 157 157 ILE N N 15 0.83803422141 0.0130252150997 . . . . . . 9.71871966881e-38 2.04887420032e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 83 . 1 1 158 158 THR N N 15 0.843074380538 0.0261543336147 . . . . . . 2.13576238994e-37 5.25199277014e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 84 . 1 1 160 160 ARG N N 15 0.871454299849 0.0127754562193 1.02251053431e-11 4.74794445267e-12 . . . . 1.01188945614e-37 1.9097932091e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 85 . 1 1 161 161 LYS N N 15 0.870024197465 0.0235568870652 . . . . . . 1.60728650384e-37 4.73612306015e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 86 . 1 1 162 162 TRP N N 15 0.879275515718 0.019867607987 . . . . . . 1.41033460211e-37 4.55718252625e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 87 . 1 1 163 163 GLU N N 15 0.951699392546 0.0151218352249 . . . . . . 1.30179996245e-38 2.25981239567e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 88 . 1 1 165 165 ALA N N 15 0.847735420047 0.0121450659838 7.06278526139e-12 4.14843454258e-12 . . . . 6.78433537123e-38 1.78453257833e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 89 . 1 1 166 166 ARG N N 15 0.833322910889 0.0224503836732 . . . . 1.08176018008e-08 4.89359602269e-09 . . . 'S2f, S2, ts' 0.899474322903 0.0141805171372 0.890356466182 0.0227899765672 . . . . . . . . . 26711 3 90 . 1 1 167 167 VAL N N 15 0.973211722779 0.0137963752776 7.99284232898e-11 3.74026887749e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 3 91 . 1 1 168 168 ALA N N 15 0.896744995911 0.0124213812728 . . . . 6.76673129697e-10 1.74229606744e-10 . . . 'S2f, S2, ts' 0.927388087794 0.0108715797174 0.958386929006 0.00477469708507 . . . . . . . . . 26711 3 92 . 1 1 172 172 ARG N N 15 0.894739383573 0.0127337916562 . . . . . . 1.05255456924e-37 2.50723105372e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 93 . 1 1 173 173 ALA N N 15 0.917885638716 0.0185068983895 . . . . . . 9.14807197973e-38 3.48291602094e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 94 . 1 1 175 175 LEU N N 15 0.887101031828 0.0273518491312 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 3 95 . 1 1 176 176 GLU N N 15 0.853468346369 0.015001979676 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 3 96 . 1 1 177 177 GLY N N 15 0.839939246803 0.0154506281504 1.48014505493e-11 4.43659213803e-12 . . . . 4.21372806291e-38 2.23737908608e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 97 . 1 1 178 178 GLU N N 15 0.835959494713 0.0231323113545 2.71392524505e-11 6.17946850563e-12 . . . . 8.64341158597e-38 3.56697310618e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 98 . 1 1 179 179 CYS N N 15 0.884383933394 0.0370581718944 2.08907966912e-11 1.68069795047e-11 . . . . 2.32423495201e-37 7.40461875725e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 99 . 1 1 180 180 VAL N N 15 0.78837698672 0.0165036166996 . . . . . . 1.8075420025e-37 3.35492297367e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 100 . 1 1 184 184 ARG N N 15 0.831109269003 0.0198411649383 . . . . . . 9.71982569448e-38 3.76406585623e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 101 . 1 1 185 185 ARG N N 15 0.875955321754 0.0172917771742 . . . . . . 1.58116824703e-37 3.55397817887e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 102 . 1 1 187 187 LEU N N 15 0.809779777921 0.0207599720282 1.03523806134e-11 4.1231571639e-12 . . . . 1.50975579149e-37 3.6590885824e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 103 . 1 1 190 190 GLY N N 15 0.840883438704 0.0185793870688 . . . . . . 9.15491357559e-38 3.25195644564e-38 . 'S2, Rex' . . . . . . . . . . . . . 26711 3 104 . 1 1 191 191 LYS N N 15 0.966981039995 0.0105572698868 . . . . . . . . . S2 . . . . . . . . . . . . . 26711 3 105 . 1 1 192 192 GLU N N 15 0.969060675231 0.00956516312709 1.0250296715e-09 2.1822014615e-09 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26711 3 106 . 1 1 193 193 THR N N 15 0.950136250424 0.0239426022087 6.91711879708e-11 1.90969743338e-10 . . . . 1.08836802623e-37 4.54676485915e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26711 3 107 . 1 1 194 194 LEU N N 15 0.685938275222 0.218429726835 . . . . 1.53115366852e-09 2.58409575093e-09 2.13589108975e-37 1.64992146065e-37 . 'S2f, S2, ts, Rex' 0.758053252019 0.166267343552 0.902982527943 0.176101073276 . . . . . . . . . 26711 3 stop_ save_