###################### # Order parameters # ###################### save_order_parameter_list_1 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_1 _Order_parameter_list.Entry_ID 26710 _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 1 '600.18 MHz R1' 1 $sample_1 . 26710 1 2 '600.18 MHz R2' . . . 26710 1 3 '600.18 MHz steady-state NOE' . . . 26710 1 4 '750.46 MHz R1' . . . 26710 1 5 '750.46 MHz R2' . . . 26710 1 6 '750.46 MHz steady-state NOE' . . . 26710 1 7 '600.18 MHz R1' 1 $sample_1 . 26710 1 8 '600.18 MHz R2' . . . 26710 1 9 '600.18 MHz steady-state NOE' . . . 26710 1 10 '750.46 MHz R1' . . . 26710 1 11 '750.46 MHz R2' . . . 26710 1 12 '750.46 MHz steady-state NOE' . . . 26710 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 . . 26710 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 0.595358842411 0.0406595967542 . . . . 9.3463234053e-10 1.22020497746e-10 . . . 'S2f, S2, ts' 0.801326791994 0.0417125508481 0.742966350757 0.0338886564612 . . . . . . . . . 26710 1 2 . 2 2 8 8 ILE N N 15 0.746010804474 0.0569173296274 1.12634241017e-11 2.14402049563e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 3 . 2 2 9 9 GLN N N 15 0.790627328939 0.0599335502035 . . . . . . 1.32712027024e-37 7.55123199623e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 1 4 . 2 2 12 12 SER N N 15 0.830742701206 0.0418853410172 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 5 . 2 2 13 13 ARG N N 15 0.889490420599 0.0572295192201 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 6 . 2 2 14 14 HIS N N 15 0.857078994067 0.0314377684597 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 7 . 2 2 17 17 GLU N N 15 0.820732246013 0.0528877302725 1.5235471587e-11 1.06996407996e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 8 . 2 2 19 19 GLY N N 15 0.87101007633 0.0584467387171 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 9 . 2 2 20 20 LYS N N 15 0.899467126259 0.0216129382254 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 10 . 2 2 23 23 PHE N N 15 0.831084301477 0.0338365327838 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 11 . 2 2 25 25 ASN N N 15 0.811848030187 0.0692021339167 . . . . . . 1.55243930858e-37 9.59574379545e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 1 12 . 2 2 26 26 CYS N N 15 0.807586674687 0.0439429800879 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 13 . 2 2 27 27 TYR N N 15 0.851802303293 0.0684599285785 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 14 . 2 2 29 29 SER N N 15 0.914766673102 0.0487304912615 2.51041492438e-11 7.18139520589e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 15 . 2 2 30 30 GLY N N 15 0.85860009656 0.0477033507092 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 16 . 2 2 31 31 PHE N N 15 0.897457061216 0.0374454642409 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 17 . 2 2 34 34 SER N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26710 1 18 . 2 2 35 35 ASP N N 15 0.852471205305 0.0205633228246 . . . . 3.53435308008e-10 2.02942265553e-10 . . . 'S2f, S2, ts' 0.881390020956 0.0459410009762 0.967189535889 0.0361699782264 . . . . . . . . . 26710 1 19 . 2 2 37 37 GLU N N 15 0.829281785872 0.039408243663 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 20 . 2 2 38 38 VAL N N 15 0.796959472485 0.0264460588849 8.18723719116e-12 4.37896752367e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 21 . 2 2 40 40 LEU N N 15 0.775676319291 0.0381213586057 9.15195038223e-12 5.5171641498e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 22 . 2 2 41 41 LEU N N 15 0.894749416082 0.0531000370737 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 23 . 2 2 43 43 ASN N N 15 0.862051242119 0.0464258405219 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 24 . 2 2 44 44 GLY N N 15 0.804434297667 0.0631647162596 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 25 . 2 2 45 45 GLU N N 15 0.859314970515 0.0224090726805 1.25847757202e-11 5.43572246875e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 26 . 2 2 46 46 ARG N N 15 0.86290722255 0.061979255692 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 27 . 2 2 47 47 ILE N N 15 0.873674304685 0.0550406297399 1.82099447697e-11 1.23847353315e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 28 . 2 2 48 48 GLU N N 15 0.841929713262 0.0468344449865 2.90817494748e-11 3.74367579385e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 29 . 2 2 49 49 LYS N N 15 0.735962037829 0.0255656389368 2.60545496291e-11 4.69301582489e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 30 . 2 2 51 51 GLU N N 15 0.80228694426 0.0319428751873 2.11398743264e-11 6.75510394081e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 31 . 2 2 52 52 HIS N N 15 0.836550970584 0.0200151920199 1.0670278449e-11 4.01465827426e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 32 . 2 2 53 53 SER N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26710 1 33 . 2 2 54 54 ASP N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26710 1 34 . 2 2 55 55 LEU N N 15 0.783798278177 0.057875353872 . . . . 7.75506577486e-10 3.10908711509e-10 . . . 'S2f, S2, ts' 0.848112615283 0.0580779861516 0.924167691947 0.0305580192353 . . . . . . . . . 26710 1 35 . 2 2 56 56 SER N N 15 0.911932590634 0.0500082500661 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 36 . 2 2 57 57 PHE N N 15 0.824371336945 0.0351075991837 1.67187907621e-11 8.05616877977e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 37 . 2 2 58 58 SER N N 15 0.867558960177 0.0527012035329 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 38 . 2 2 60 60 ASP N N 15 0.91014466194 0.0328179236997 2.4875987202e-11 7.90838748061e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 39 . 2 2 61 61 TRP N N 15 0.904589288482 0.0440881552911 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 40 . 2 2 61 61 TRP NE1 N 15 0.731374649651 0.0239280259173 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 41 . 2 2 62 62 SER N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26710 1 42 . 2 2 63 63 PHE N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26710 1 43 . 2 2 64 64 TYR N N 15 0.841252433672 0.0462217105441 1.0241452139e-11 2.44336494344e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 44 . 2 2 65 65 LEU N N 15 0.866065518466 0.0448884429751 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 45 . 2 2 66 66 LEU N N 15 0.85449917299 0.0636768054052 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 46 . 2 2 67 67 TYR N N 15 0.846510017029 0.0591162653468 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 47 . 2 2 68 68 TYR N N 15 0.820710873714 0.0464615661229 1.05180590774e-11 6.63931147677e-12 . . . . 1.01158294889e-37 6.09080597973e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 1 48 . 2 2 69 69 THR N N 15 0.870879106556 0.0412473835438 1.49931933794e-11 2.25842095431e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 49 . 2 2 70 70 GLU N N 15 0.838693058356 0.0232857571462 2.22940712291e-11 5.87174735219e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 50 . 2 2 71 71 PHE N N 15 0.876428208643 0.0383845564843 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 51 . 2 2 72 72 THR N N 15 0.866779133978 0.0375587212785 2.06883214997e-11 1.53496176232e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 52 . 2 2 74 74 THR N N 15 0.811972173622 0.02988135418 1.41067979547e-11 5.74325912653e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 53 . 2 2 75 75 GLU N N 15 0.702094609014 0.134496131622 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 54 . 2 2 76 76 LYS N N 15 0.672755915538 0.0357524670035 . . . . 6.3163295689e-10 1.29633369348e-10 . . . 'S2f, S2, ts' 0.77890682504 0.0336972181694 0.863718090419 0.0250029835881 . . . . . . . . . 26710 1 55 . 2 2 77 77 ASP N N 15 0.798563782409 0.0280410862844 . . . . 6.5252135115e-10 2.32797963066e-10 . . . 'S2f, S2, ts' 0.843206218872 0.0373239256639 0.947056324463 0.0237241865416 . . . . . . . . . 26710 1 56 . 2 2 79 79 TYR N N 15 0.824705331823 0.0373760602248 1.41798987161e-11 7.92924827829e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 57 . 2 2 81 81 CYS N N 15 0.842215316829 0.0418181318043 1.17307017539e-11 1.31380313871e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 58 . 2 2 82 82 ARG N N 15 0.856510638856 0.0434745054997 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 59 . 2 2 83 83 VAL N N 15 0.842385581596 0.0521559426913 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 60 . 2 2 84 84 ASN N N 15 0.863250114488 0.0448136475146 2.23150567298e-11 5.24029062795e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 61 . 2 2 85 85 HIS N N 15 0.81899815006 0.0259925772576 9.99639408321e-12 4.59969295721e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 62 . 2 2 86 86 VAL N N 15 0.880623237289 0.0636278612922 2.82922410708e-11 2.28126217951e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 63 . 2 2 87 87 THR N N 15 0.901174919294 0.0417261863215 4.09141514867e-11 1.23062911666e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 64 . 2 2 88 88 LEU N N 15 0.886470287536 0.030700876293 1.92085682541e-11 4.03486021746e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 65 . 2 2 90 90 GLN N N 15 0.774726048606 0.0149056768013 . . . . 7.67060339717e-10 9.85738378725e-11 . . . 'S2f, S2, ts' 0.83242035367 0.013239155322 0.930690900565 0.00772331097892 . . . . . . . . . 26710 1 66 . 2 2 92 92 LYS N N 15 0.818953569992 0.0381518493908 2.01463916503e-11 7.86628343282e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 67 . 2 2 93 93 ILE N N 15 0.806235378496 0.0264041822337 1.46392528839e-11 5.07299057225e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 68 . 2 2 94 94 VAL N N 15 0.844543596233 0.0507695201169 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 69 . 2 2 95 95 LYS N N 15 0.770448821484 0.0443740539238 . . . . 1.78006383384e-09 2.64214571612e-09 . . . 'S2f, S2, ts' 0.803002769658 0.0485325140145 0.959459731144 0.0326231504517 . . . . . . . . . 26710 1 70 . 2 2 96 96 TRP N N 15 0.868334686743 0.0501128829658 1.87775358694e-11 9.10132226026e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 71 . 2 2 96 96 TRP NE1 N 15 0.716976502222 0.0314290565197 7.62154887721e-12 3.34598481868e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 72 . 2 2 97 97 ASP N N 15 0.863688444357 0.047896859677 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 1 73 . 2 2 98 98 ARG N N 15 0.866809128179 0.060615189086 2.52919259511e-11 1.70281284007e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 1 74 . 2 2 99 99 ASP N N 15 0.843935596322 0.0311661140734 . . . . 1.30287544146e-09 1.91376395005e-09 . . . 'S2f, S2, ts' 0.872697045697 0.0312352850449 0.967043031123 0.019062805339 . . . . . . . . . 26710 1 75 . 2 2 100 100 MET N N 15 0.815214652288 0.0277236940097 . . . . 6.81025660798e-10 2.19587994654e-10 . . . 'S2f, S2, ts' 0.861665827385 0.0343773359721 0.94609142707 0.0196404562141 . . . . . . . . . 26710 1 stop_ save_ ###################### # Order parameters # ###################### save_order_parameter_list_2 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_2 _Order_parameter_list.Entry_ID 26710 _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 . 26710 2 2 '600.18 MHz R2' . . . 26710 2 3 '600.18 MHz steady-state NOE' . . . 26710 2 4 '750.46 MHz R1' . . . 26710 2 5 '750.46 MHz R2' . . . 26710 2 6 '750.46 MHz steady-state NOE' . . . 26710 2 7 '600.18 MHz R1' 1 $sample_1 . 26710 2 8 '600.18 MHz R2' . . . 26710 2 9 '600.18 MHz steady-state NOE' . . . 26710 2 10 '750.46 MHz R1' . . . 26710 2 11 '750.46 MHz R2' . . . 26710 2 12 '750.46 MHz steady-state NOE' . . . 26710 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 . . 26710 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 1 203 203 HIS N N 15 0.745264368003 0.0179181076854 9.31503531165e-12 2.20605274914e-12 . . . . 2.8391139687e-38 1.80376488388e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 2 . 1 1 206 206 HIS N N 15 0.861720835674 0.00810439663605 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 2 3 . 1 1 209 209 ILE N N 15 0.75186579262 0.0201437178655 1.06851369317e-11 3.07744522797e-12 . . . . 7.63119831894e-38 1.67302595529e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 4 . 1 1 210 210 SER N N 15 0.67207383468 0.0101115654192 . . . . 1.26611215418e-09 1.57313654367e-10 . . . 'S2f, S2, ts' 0.789442148723 0.0110280408092 0.851327530164 0.00953604553756 . . . . . . . . . 26710 2 5 . 1 1 212 212 HIS N N 15 0.831491485469 0.0468210190643 2.43520326226e-11 4.45730567093e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 2 6 . 1 1 213 213 GLU N N 15 0.774752477779 0.0200884327378 1.18396155764e-11 3.14462736908e-12 . . . . 9.85612649526e-38 1.70383812863e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 7 . 1 1 214 214 ALA N N 15 0.819414761898 0.0144872935005 . . . . . . 4.30070221315e-38 1.40412463514e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 2 8 . 1 1 215 215 THR N N 15 0.751411715631 0.0162431229089 5.08921072782e-12 2.10312688057e-12 . . . . 9.44089058121e-38 1.46650505171e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 9 . 1 1 218 218 CYS N N 15 0.855754515056 0.0173163174426 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 2 10 . 1 1 219 219 TRP N N 15 0.764630594083 0.0190859811525 . . . . . . 1.56311706118e-37 2.02574237947e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 2 11 . 1 1 222 222 GLY N N 15 0.753659065785 0.00919528242164 1.03645978185e-11 2.31691447806e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 2 12 . 1 1 224 224 TYR N N 15 0.757894257567 0.0176293585002 . . . . . . 1.6914202982e-37 1.97241740492e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 2 13 . 1 1 227 227 GLU N N 15 0.722375551649 0.01118799305 6.81545556642e-12 1.53224067246e-12 . . . . 1.36999132901e-37 1.12447077805e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 14 . 1 1 228 228 ILE N N 15 0.840199101347 0.00709773684492 4.39748898617e-12 2.7298468815e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 2 15 . 1 1 231 231 THR N N 15 0.824089603409 0.00961840005958 9.94979516685e-12 2.80521417114e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 2 16 . 1 1 232 232 TRP N N 15 0.819165615214 0.0147806129388 9.49139533923e-12 3.06033415085e-12 . . . . 4.15332392084e-38 1.51720478955e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 17 . 1 1 233 233 GLN N N 15 0.810371004533 0.00954694516391 7.52399658453e-12 3.29414167623e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 2 18 . 1 1 234 234 ARG N N 15 0.808583270434 0.0181845246358 6.59488261064e-12 3.21117272685e-12 . . . . 8.32390670336e-38 1.64856122904e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 19 . 1 1 235 235 ASP N N 15 0.88902562345 0.0109464150738 2.36029518632e-11 7.5033218282e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 2 20 . 1 1 236 236 GLY N N 15 0.863902367102 0.0167369159831 3.04371854492e-11 8.28233046929e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 2 21 . 1 1 237 237 GLU N N 15 0.895092892706 0.0169828206697 3.24028388465e-11 7.67291885725e-12 . . . . 3.08211425139e-38 1.48292846177e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 22 . 1 1 242 242 ASP N N 15 0.802978880764 0.014949617748 . . . . 6.9321203782e-10 1.1133108156e-10 . . . 'S2f, S2, ts' 0.878167248334 0.0141491209411 0.914380355549 0.0105182007507 . . . . . . . . . 26710 2 23 . 1 1 243 243 THR N N 15 0.768176755345 0.00920777191846 . . . . 5.15440911555e-10 8.71422806147e-11 . . . 'S2f, S2, ts' 0.820055729952 0.0085575949252 0.936737257344 0.00650318645237 . . . . . . . . . 26710 2 24 . 1 1 244 244 GLU N N 15 0.788080806257 0.017819550559 6.05431206752e-12 2.9117326333e-12 . . . . 9.56189005072e-38 1.85664329169e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 25 . 1 1 245 245 LEU N N 15 0.795412161945 0.00896413241921 . . . . 1.43002148235e-09 1.60249124526e-09 . . . 'S2f, S2, ts' 0.821497530793 0.00766807636484 0.968246564512 0.00681670970224 . . . . . . . . . 26710 2 26 . 1 1 246 246 VAL N N 15 0.770545162558 0.0142844609695 2.4560432797e-11 2.59319567879e-12 . . . . 5.58207764799e-38 1.38555193097e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 27 . 1 1 247 247 GLU N N 15 0.845821312905 0.00768142449351 6.56172221504e-12 3.20257015089e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 2 28 . 1 1 249 249 ARG N N 15 0.798985627984 0.0194666111989 6.70005300912e-12 3.3057340983e-12 . . . . 1.73897004983e-37 2.18278248143e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 29 . 1 1 251 251 ALA N N 15 0.825968167392 0.0207445392715 . . . . . . 6.99770236881e-38 1.89226140829e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 2 30 . 1 1 252 252 GLY N N 15 0.898105323029 0.0193038817503 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 2 31 . 1 1 254 254 ARG N N 15 0.726043676707 0.0308945437651 . . . . 1.6321071518e-09 1.02374823449e-09 . . . 'S2f, S2, ts' 0.824643585416 0.0327936696287 0.880433304215 0.0255421945524 . . . . . . . . . 26710 2 32 . 1 1 255 255 THR N N 15 0.737629897478 0.0168008430779 . . . . 1.15251282021e-09 2.80397623543e-10 . . . 'S2f, S2, ts' 0.811707983413 0.0164694001718 0.908738009914 0.011703723753 . . . . . . . . . 26710 2 33 . 1 1 256 256 PHE N N 15 0.818079073722 0.0191716842545 6.10119730433e-12 2.96264299243e-12 . . . . 6.63583243151e-38 1.85968553905e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 34 . 1 1 257 257 GLN N N 15 0.736738997792 0.0158086595489 . . . . . . 1.23606488242e-37 1.666679833e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 2 35 . 1 1 258 258 LYS N N 15 0.778244058957 0.0159962734017 . . . . . . 7.32257570445e-38 1.78373348206e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 2 36 . 1 1 259 259 TRP N N 15 0.749806323297 0.0172865452367 . . . . . . 1.44054875204e-37 1.83006143457e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 2 37 . 1 1 260 260 ALA N N 15 0.828639584183 0.0172591626952 . . . . . . 6.25365854686e-38 1.89493356048e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 2 38 . 1 1 261 261 ALA N N 15 0.78775795724 0.028587177841 . . . . . . 1.15912745787e-37 2.90645731335e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 2 39 . 1 1 263 263 VAL N N 15 0.825359795774 0.00859273409489 9.19335262041e-12 2.94569427042e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 2 40 . 1 1 266 266 SER N N 15 0.839516633877 0.0126717085432 1.52530589092e-11 3.15411213411e-12 . . . . 2.47671068828e-38 1.19808470654e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 41 . 1 1 267 267 GLY N N 15 0.779053248003 0.0180621591195 1.09066648343e-11 2.90455876698e-12 . . . . 6.0980531004e-38 1.69175664156e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 42 . 1 1 269 269 GLU N N 15 0.768886046165 0.023861618492 . . . . . . 9.35371916826e-38 2.32776391704e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 2 43 . 1 1 270 270 GLN N N 15 0.776830008096 0.0221575678651 9.93972029845e-12 3.50183762287e-12 . . . . 1.30681777456e-37 1.99456909348e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 44 . 1 1 271 271 ARG N N 15 0.86822859751 0.0208498253088 9.39112925047e-12 6.19435368064e-12 . . . . 4.89976127503e-38 1.92095258207e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 45 . 1 1 272 272 TYR N N 15 0.809097032219 0.0191211669648 9.79930404458e-12 3.47049350193e-12 . . . . 1.06876253654e-37 1.79395939259e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 46 . 1 1 273 273 THR N N 15 0.82511070276 0.0177063882524 . . . . . . 2.6925385636e-38 1.57360859787e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 2 47 . 1 1 275 275 HIS N N 15 0.846702725121 0.0134493305236 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 2 48 . 1 1 276 276 VAL N N 15 0.787889439746 0.0176838653446 . . . . . . 5.98182966275e-38 1.65175193474e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 2 49 . 1 1 278 278 HIS N N 15 0.810440315669 0.0147351471852 8.72697890907e-12 2.57223729216e-12 . . . . 3.54507533048e-38 1.36811332329e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 2 50 . 1 1 279 279 GLU N N 15 0.848830578683 0.00889015436214 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 2 51 . 1 1 280 280 GLY N N 15 0.868439849524 0.0163003243575 9.81974252503e-12 6.52150633517e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 2 52 . 1 1 281 281 LEU N N 15 0.408505528022 0.00622578358127 . . . . 1.45817686262e-09 1.03826113585e-10 . . . 'S2f, S2, ts' 0.522078720989 0.00658681507437 0.782459639895 0.00767162555793 . . . . . . . . . 26710 2 53 . 1 1 287 287 LEU N N 15 0.836912293086 0.0119101011777 1.42081492725e-11 3.70817545362e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 2 54 . 1 1 289 289 TRP N N 15 0.7669949089 0.00902948024708 . . . . 8.5108793105e-10 1.135499379e-10 . . . 'S2f, S2, ts' 0.818700578975 0.00846662275838 0.936844224368 0.00612577249554 . . . . . . . . . 26710 2 55 . 1 1 290 290 GLU N N 15 0.712216477454 0.00508868082548 . . . . 3.27513909259e-10 2.681136864e-11 . . . 'S2f, S2, ts' 0.826613422868 0.00567884253878 0.861607684742 0.00366300772071 . . . . . . . . . 26710 2 stop_ save_ ###################### # Order parameters # ###################### save_order_parameter_list_3 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_3 _Order_parameter_list.Entry_ID 26710 _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 . 26710 3 2 '600.18 MHz R2' . . . 26710 3 3 '600.18 MHz steady-state NOE' . . . 26710 3 4 '750.46 MHz R1' . . . 26710 3 5 '750.46 MHz R2' . . . 26710 3 6 '750.46 MHz steady-state NOE' . . . 26710 3 7 '600.18 MHz R1' 1 $sample_1 . 26710 3 8 '600.18 MHz R2' . . . 26710 3 9 '600.18 MHz steady-state NOE' . . . 26710 3 10 '750.46 MHz R1' . . . 26710 3 11 '750.46 MHz R2' . . . 26710 3 12 '750.46 MHz steady-state NOE' . . . 26710 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 . . 26710 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 0.577444163529 0.0555246352237 . . 2.73266911264e-11 5.51348237501e-12 3.5677712732e-09 2.65862005348e-09 7.45709790068e-38 3.29442983437e-38 . 'S2f, tf, S2, ts, Rex' 0.680856581811 0.0363857666567 0.848114241612 0.0525698538602 . . . . . . . . . 26710 3 2 . 1 1 19 19 SER N N 15 0.768788474152 0.0179713577746 . . . . . . 9.04882654252e-38 1.79762981812e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 3 . 1 1 20 20 MET N N 15 0.841732878631 0.0267481596336 . . . . . . 4.7273265914e-38 2.45210564226e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 4 . 1 1 22 22 TYR N N 15 0.860908472814 0.013541080173 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 5 . 1 1 25 25 THR N N 15 0.828499339832 0.0313577025926 . . . . . . 5.26949450106e-38 2.82568911221e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 6 . 1 1 27 27 VAL N N 15 0.740612837395 0.00623255984435 . . . . 8.63458564743e-10 7.29858325409e-11 . . . 'S2f, S2, ts' 0.807650692979 0.00638096070608 0.91699647364 0.00518956702529 . . . . . . . . . 26710 3 7 . 1 1 28 28 SER N N 15 0.817752150866 0.0263531100796 . . . . . . 1.18714923768e-37 2.40617655077e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 8 . 1 1 29 29 ARG N N 15 0.878785129492 0.00940677449105 1.22050752382e-11 6.24717533235e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 9 . 1 1 31 31 GLY N N 15 0.0728612093493 0.123812135373 . . . . 1.19814004356e-09 2.23875428629e-10 2.07093971538e-37 8.8578613e-38 . 'S2f, S2, ts, Rex' 0.286376408905 0.108201659095 0.254424621176 0.263053543157 . . . . . . . . . 26710 3 10 . 1 1 34 34 GLU N N 15 0.681537545679 0.0116003517221 . . . . 1.19640547681e-09 1.49148659347e-10 . . . 'S2f, S2, ts' 0.788083751046 0.0125703303306 0.864803448586 0.0107075510388 . . . . . . . . . 26710 3 11 . 1 1 36 36 ARG N N 15 0.861851859594 0.0158399078814 1.38462369102e-11 7.70780837583e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 12 . 1 1 37 37 PHE N N 15 0.790784526598 0.0265772390645 1.03521762291e-11 4.38669777096e-12 . . . . 5.40878910822e-38 2.41156971263e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 3 13 . 1 1 38 38 ILE N N 15 0.814508765859 0.0144001883541 . . . . . . 5.87755216806e-38 1.28533651376e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 14 . 1 1 39 39 THR N N 15 0.864327636729 0.0247852032319 . . . . . . 1.68355771706e-37 2.63566941676e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 15 . 1 1 40 40 VAL N N 15 0.875960890116 0.017699769692 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 16 . 1 1 41 41 GLY N N 15 0.830592114586 0.0205621686313 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 17 . 1 1 42 42 TYR N N 15 0.762704063321 0.0174838544742 . . . . . . 1.15463726647e-37 1.85331223776e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 18 . 1 1 44 44 ASP N N 15 0.799037004632 0.0179034598716 . . . . . . 1.0731879514e-37 1.74511659638e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 19 . 1 1 45 45 ASP N N 15 0.793582505421 0.0205536473438 . . . . . . 7.95774985393e-38 1.9476021404e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 20 . 1 1 46 46 THR N N 15 0.840192785971 0.0243145468424 . . . . . . 5.59999086734e-38 2.29843748561e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 21 . 1 1 47 47 LEU N N 15 0.769482605993 0.0161456446269 3.67783356748e-12 2.10719199957e-12 . . . . 1.29736297892e-37 1.71682809338e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 3 22 . 1 1 49 49 VAL N N 15 0.864024642886 0.0459232082705 . . . . . . 1.66710828605e-37 5.53914193677e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 23 . 1 1 50 50 ARG N N 15 0.792056612747 0.0213356715113 . . . . . . 6.07603388534e-38 2.08951057589e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 24 . 1 1 51 51 PHE N N 15 0.826749862932 0.0253898695744 . . . . . . 1.69927386303e-37 2.66879384652e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 25 . 1 1 52 52 ASP N N 15 0.847521597856 0.0115707024137 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 26 . 1 1 53 53 SER N N 15 0.81814847557 0.0203765086268 8.04425714937e-12 4.16290634476e-12 . . . . 8.48968929558e-38 1.85247103609e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 3 27 . 1 1 54 54 ASP N N 15 0.804952343012 0.0171249981317 1.12729456788e-11 3.21243058331e-12 . . . . 1.35033831502e-37 1.58613463889e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 3 28 . 1 1 55 55 ALA N N 15 0.68607444444 0.00502603975526 . . . . 3.99448856367e-10 2.03209038304e-11 . . . 'S2f, S2, ts' 0.829303257338 0.00571436829818 0.827290184102 0.00476826076614 . . . . . . . . . 26710 3 29 . 1 1 56 56 ALA N N 15 0.635648419148 0.0224838560571 . . 3.39996209186e-11 1.19570123096e-11 2.19681586454e-09 3.3761818626e-09 . . . 'S2f, tf, S2, ts' 0.664167946249 0.0297466102884 0.957059765889 0.0353062955118 . . . . . . . . . 26710 3 30 . 1 1 57 57 SER N N 15 0.613442322691 0.0173020582721 . . . . 6.30460188834e-10 8.61005367287e-11 . . . 'S2f, S2, ts' 0.723024012902 0.0193516462523 0.848439763749 0.0172570918283 . . . . . . . . . 26710 3 31 . 1 1 63 63 ARG N N 15 0.762434813076 0.0315582268912 . . . . . . 9.77691497627e-38 3.36962857163e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 32 . 1 1 64 64 ALA N N 15 0.742826749114 0.0313238596056 . . . . . . 1.58271946063e-37 3.37793403842e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 33 . 1 1 66 66 TRP N N 15 0.860314171064 0.0251388053399 . . . . . . 5.68441036141e-38 2.42842463873e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 34 . 1 1 67 67 ILE N N 15 0.857837894606 0.03553636117 . . . . . . 1.1970425372e-37 3.82701237483e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 35 . 1 1 70 70 GLU N N 15 0.85370152431 0.0173443537329 . . . . . . 1.26898794307e-37 1.73509402704e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 36 . 1 1 71 71 GLY N N 15 0.684583844065 0.0118186012308 . . . . 2.95377320758e-09 1.67494487457e-09 . . . 'S2f, S2, ts' 0.757151009019 0.0088125042493 0.904157606489 0.0167621147904 . . . . . . . . . 26710 3 37 . 1 1 73 73 GLU N N 15 0.865270175115 0.0162285069367 1.39700989327e-11 7.25588831816e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 38 . 1 1 74 74 TYR N N 15 0.880725844617 0.0116401222059 2.0845086611e-11 6.46376831056e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 39 . 1 1 75 75 TRP N N 15 0.872583340368 0.0275876026001 . . . . . . 4.23871187589e-38 2.64275155079e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 40 . 1 1 77 77 ARG N N 15 0.907136905477 0.0206414459461 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 41 . 1 1 78 78 GLU N N 15 0.909487180179 0.0219414297481 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 42 . 1 1 80 80 GLN N N 15 0.621369517057 0.0211511828452 . . . . 1.83153908665e-09 2.16777715969e-09 . . . 'S2f, S2, ts' 0.687960262393 0.0165363298989 0.903205535296 0.0249444307263 . . . . . . . . . 26710 3 43 . 1 1 87 87 GLN N N 15 0.736993185905 0.10253755354 . . . . 3.03858361171e-09 3.6269651037e-09 . . . 'S2f, S2, ts' 0.823730485013 0.087715506388 0.894701846434 0.0693234551546 . . . . . . . . . 26710 3 44 . 1 1 89 89 ASP N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26710 3 45 . 1 1 90 90 ARG N N 15 0.866200907621 0.0150977247178 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 46 . 1 1 91 91 GLU N N 15 0.871585404339 0.0222439977398 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 47 . 1 1 92 92 ASP N N 15 0.8584749372 0.0244313072628 1.80985646336e-11 1.0171391836e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 48 . 1 1 94 94 ARG N N 15 0.839487397671 0.0180546775654 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 49 . 1 1 97 97 LEU N N 15 0.875635727013 0.0351396509236 . . . . . . 6.28538633683e-38 3.10448256397e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 50 . 1 1 98 98 ARG N N 15 0.863060359373 0.0152655963148 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 51 . 1 1 99 99 TYR N N 15 0.861626994677 0.017873126241 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 52 . 1 1 100 100 TYR N N 15 0.76258785517 0.0233090262209 . . . . . . 7.28188361809e-38 2.11110885547e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 53 . 1 1 106 106 GLY N N 15 0.585357498186 0.0322037255304 . . . . 6.13028965157e-10 1.18201066877e-10 . . . 'S2f, S2, ts' 0.745905544676 0.0421276321858 0.784760888781 0.0364026344244 . . . . . . . . . 26710 3 54 . 1 1 109 109 THR N N 15 0.820365409772 0.0129481458509 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 55 . 1 1 110 110 LEU N N 15 0.846579984332 0.0196950601579 2.33092117253e-11 8.99928486875e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 56 . 1 1 112 112 ASN N N 15 0.816324077604 0.0373756793759 . . . . . . 5.34308719421e-38 3.44245856303e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 57 . 1 1 113 113 MET N N 15 0.795094154245 0.0507006382367 . . . . . . 1.51092670725e-37 5.07504815878e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 58 . 1 1 115 115 GLY N N 15 0.821268798175 0.0315280103899 . . . . . . 9.99720906636e-38 3.4134718547e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 59 . 1 1 116 116 CYS N N 15 0.834675478377 0.0161382191406 1.41217760885e-11 5.71439915188e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 60 . 1 1 117 117 ASP N N 15 0.78944704007 0.0229729301931 . . . . . . 1.06794725397e-37 2.36165519511e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 61 . 1 1 118 118 VAL N N 15 0.772283942881 0.0224269352108 . . . . . . 1.12309040059e-37 2.44669933187e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 62 . 1 1 119 119 GLY N N 15 0.796965455257 0.0172600523505 7.81096152687e-12 2.89415967173e-12 . . . . 6.06686841315e-38 1.82782277532e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 3 63 . 1 1 125 125 LEU N N 15 0.809510513686 0.0208480777676 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 64 . 1 1 126 126 ARG N N 15 0.786486316639 0.0194853842814 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 65 . 1 1 127 127 GLY N N 15 0.815347716407 0.0140182709569 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 66 . 1 1 130 130 GLN N N 15 0.860552395457 0.0327040620304 . . . . . . 6.04722508825e-38 2.95242388024e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 67 . 1 1 134 134 ASP N N 15 0.826437946763 0.0369850103418 . . . . . . 5.34398847592e-38 3.35544953216e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 68 . 1 1 135 135 GLY N N 15 0.580924370958 0.0684261533174 . . . . . . 1.99799732357e-37 6.68970752371e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 69 . 1 1 136 136 LYS N N 15 0.803091737766 0.0224527976231 . . . . . . 1.70252311643e-37 2.15865385801e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 70 . 1 1 139 139 ILE N N 15 0.843671186754 0.0346447197316 . . . . . . 5.05536974245e-38 3.03637854151e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 71 . 1 1 140 140 ALA N N 15 0.888787158104 0.03746117606 . . . . . . 6.19491780788e-38 3.59183230492e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 72 . 1 1 141 141 LEU N N 15 0.804713303568 0.0261829976894 . . . . . . 5.05735552945e-38 2.48962695655e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 73 . 1 1 144 144 ASP N N 15 0.824856774196 0.01704453432 . . . . 7.747902339e-09 4.34242577861e-09 . . . 'S2f, S2, ts' 0.87821106878 0.00966698335099 0.939246615671 0.0207499083193 . . . . . . . . . 26710 3 74 . 1 1 145 145 LEU N N 15 0.872092244181 0.0220960803815 . . . . . . 5.70076774771e-38 2.10613220043e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 75 . 1 1 147 147 SER N N 15 0.681913058926 0.025194592938 1.53124407104e-11 2.89847606921e-12 . . . . 6.31387602962e-38 2.1697274595e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 3 76 . 1 1 148 148 TRP N N 15 0.77666475804 0.0122787760165 . . . . . . 8.11612851664e-38 1.17461334217e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 77 . 1 1 149 149 THR N N 15 0.789743388987 0.0180045931093 . . . . . . 3.03405440927e-38 1.56433560518e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 78 . 1 1 150 150 ALA N N 15 0.842136556597 0.009919705528 1.66504837019e-11 4.30621364151e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 79 . 1 1 151 151 ALA N N 15 0.834684286621 0.0157753769145 . . . . 1.11021966512e-09 8.33149237163e-10 . . . 'S2f, S2, ts' 0.878417932594 0.0141800441319 0.950213168072 0.00954271629384 . . . . . . . . . 26710 3 80 . 1 1 152 152 ASP N N 15 0.753856553036 0.00996000953784 . . . . 1.05291896082e-09 2.9964422529e-10 . . . 'S2f, S2, ts' 0.793709417848 0.00925854277989 0.949789099239 0.00613894084841 . . . . . . . . . 26710 3 81 . 1 1 153 153 THR N N 15 0.724952398751 0.0669204571164 8.29129767732e-12 5.95406431676e-12 . . . . 9.27165586399e-38 6.10535991133e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 3 82 . 1 1 154 154 ALA N N 15 0.890023086633 0.0144291243174 2.90481844942e-11 8.91929235327e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 83 . 1 1 156 156 GLN N N 15 0.841611960736 0.0297502434417 . . . . . . 5.65296591114e-38 3.09857111406e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 84 . 1 1 158 158 THR N N 15 0.765982271208 0.0446654338502 . . . . . . 1.09672294432e-37 4.62097579706e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 85 . 1 1 160 160 ARG N N 15 0.908903114509 0.0216424293233 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 86 . 1 1 161 161 LYS N N 15 0.835539193934 0.0140898585604 7.68075435338e-12 4.08468451198e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 87 . 1 1 163 163 GLU N N 15 0.91300334625 0.0247318092999 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 88 . 1 1 165 165 ALA N N 15 0.787124706589 0.0358874182014 . . . . . . 9.97792443809e-38 3.64202759392e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 89 . 1 1 166 166 ARG N N 15 0.886248463788 0.0174377478491 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 90 . 1 1 167 167 VAL N N 15 0.873420053368 0.0312089358137 2.28519587724e-11 1.58277231304e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 91 . 1 1 168 168 ALA N N 15 0.921192861184 0.0273550056903 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 92 . 1 1 169 169 GLU N N 15 0.816553679579 0.0312920059497 1.61757368164e-11 6.13579771747e-12 . . . . 7.14193500538e-38 3.05396667944e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 3 93 . 1 1 172 172 ARG N N 15 0.836074804617 0.130238800906 9.11663327602e-11 2.10284382103e-10 . . . . 2.66397342596e-37 1.86222102715e-37 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 3 94 . 1 1 173 173 ALA N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26710 3 95 . 1 1 174 174 TYR N N 15 0.803839068214 0.0262688254386 . . . . . . 6.43989855664e-38 2.47217077174e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 96 . 1 1 176 176 GLU N N 15 0.78088921914 0.0452697134794 1.10440491949e-11 6.72130763718e-12 . . . . 1.04709913117e-37 4.88969579817e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 3 97 . 1 1 177 177 GLY N N 15 0.769406834558 0.0125069241728 4.04652326297e-12 2.72778464193e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 98 . 1 1 178 178 GLU N N 15 0.487640545395 0.132254716479 . . . . 3.36324706174e-09 3.18014000814e-09 2.63177386695e-37 9.28269430007e-38 . 'S2f, S2, ts, Rex' 0.569726611955 0.0939398434729 0.85592025221 0.125363450975 . . . . . . . . . 26710 3 99 . 1 1 180 180 VAL N N 15 0.776737867326 0.0305536845166 . . . . . . 1.377030327e-37 3.474660484e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 100 . 1 1 181 181 GLU N N 15 0.807523047876 0.0292940694316 . . . . . . 2.26243980919e-37 3.82548551784e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 101 . 1 1 183 183 LEU N N 15 0.843359075156 0.0263495719027 . . . . . . 8.53438492689e-38 2.7746857224e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 102 . 1 1 184 184 ARG N N 15 0.781357579505 0.0327730956286 . . . . . . 1.65737406879e-37 3.87752897957e-38 . 'S2, Rex' . . . . . . . . . . . . . 26710 3 103 . 1 1 190 190 GLY N N 15 0.815711178295 0.0257046604333 . . . . . . . . . S2 . . . . . . . . . . . . . 26710 3 104 . 1 1 191 191 LYS N N 15 0.906854549905 0.0210641609666 1.82578922112e-11 9.43672964551e-12 . . . . 4.09912669123e-38 2.0323620425e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 3 105 . 1 1 192 192 GLU N N 15 0.952646435888 0.0135880849579 5.41313502618e-11 8.15439226748e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 106 . 1 1 193 193 THR N N 15 0.905972139163 0.0390491093805 2.09829459228e-11 9.29101894647e-11 . . . . 1.2654800286e-37 3.77321944333e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26710 3 107 . 1 1 194 194 LEU N N 15 0.842645957422 0.0189542730695 1.66360753323e-11 7.19226164095e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26710 3 stop_ save_