###################### # Order parameters # ###################### save_order_parameter_list_bn _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_bn _Order_parameter_list.Entry_ID 26712 _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 600 _Order_parameter_list.Rex_val_units s-1 _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 . 26712 1 2 '600.18 MHz R2' . . . 26712 1 3 '600.18 MHz steady-state NOE' . . . 26712 1 4 '750.46 MHz R1' . . . 26712 1 5 '750.46 MHz R2' . . . 26712 1 6 '750.46 MHz steady-state NOE' . . . 26712 1 7 '600.18 MHz R1' 1 $sample_1 . 26712 1 8 '600.18 MHz R2' . . . 26712 1 9 '600.18 MHz steady-state NOE' . . . 26712 1 10 '750.46 MHz R1' . . . 26712 1 11 '750.46 MHz R2' . . . 26712 1 12 '750.46 MHz steady-state NOE' . . . 26712 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 . . 26712 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 0.52763587009 0.0179931748103 . . . . 9.10301187507e-10 7.45062009899e-11 . . . 'S2f, S2, ts' 0.767105570479 0.0229000744439 0.687826930732 0.0194908496096 . . . . . . . . . 26712 1 2 . 2 2 8 8 ILE N N 15 0.3928850227 0.0318605514855 . . . . 1.03549978617e-09 1.74121047289e-10 . . . 'S2f, S2, ts' 0.554751215944 0.0382714460267 0.708218407473 0.0465456151422 . . . . . . . . . 26712 1 3 . 2 2 9 9 GLN N N 15 0.776325630056 0.0796718515287 2.02401419146e-11 2.55225167448e-11 . . . . 3.15615749468e-37 1.21881737804e-37 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 1 4 . 2 2 12 12 SER N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 5 . 2 2 13 13 ARG N N 15 0.768395243332 0.100743406812 . . . . . . 2.15298354869e-37 1.37734918241e-37 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 6 . 2 2 14 14 HIS N N 15 0.500097537122 0.0342673400597 . . . . 2.72801262785e-09 3.36582664679e-09 . . . 'S2f, S2, ts' 0.587468668664 0.0275106967348 0.851275248873 0.0543655410961 . . . . . . . . . 26712 1 7 . 2 2 17 17 GLU N N 15 0.866310673764 0.058431034447 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 1 8 . 2 2 19 19 GLY N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 9 . 2 2 20 20 LYS N N 15 0.934916662412 0.0318045514332 . . . . . . 9.75622625325e-38 3.76588800204e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 10 . 2 2 23 23 PHE N N 15 0.803158748672 0.0606514115318 . . . . . . 2.31818637818e-37 9.1378352445e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 11 . 2 2 25 25 ASN N N 15 0.862971970699 0.074976912503 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 1 12 . 2 2 26 26 CYS N N 15 0.631582899547 0.0684206932624 . . . . . . 4.79646135311e-37 1.19367863868e-37 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 13 . 2 2 27 27 TYR N N 15 0.640999059988 0.121952232972 . . . . . . 7.1791157696e-37 3.07031025662e-37 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 14 . 2 2 29 29 SER N N 15 0.802723941809 0.0768801005797 . . . . . . 1.94822992242e-37 1.17816134549e-37 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 15 . 2 2 30 30 GLY N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 16 . 2 2 31 31 PHE N N 15 0.912773928433 0.0405386368974 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 1 17 . 2 2 34 34 SER N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 18 . 2 2 35 35 ASP N N 15 0.236169170185 0.23891714834 . . 8.92775209925e-12 4.00981097704e-12 2.81097558488e-08 8.59736974499e-09 4.84113235017e-37 1.55777042878e-37 . 'S2f, tf, S2, ts, Rex' 0.596965725773 0.125867259175 0.395615962506 0.357014794818 . . . . . . . . . 26712 1 19 . 2 2 37 37 GLU N N 15 0.827889792827 0.0640754316623 1.62589804305e-11 6.59095575169e-11 . . . . 1.3510449163e-37 8.49732586451e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 1 20 . 2 2 38 38 VAL N N 15 1.96741571612e-17 0.0896928981321 . . 6.58560730448e-12 2.45378145849e-12 2.30871690339e-08 8.90578475822e-09 . . . 'S2f, tf, S2, ts' 0.42456045856 0.0446698671912 4.63407178629e-17 0.2675545824 . . . . . . . . . 26712 1 21 . 2 2 40 40 LEU N N 15 0.807726310115 0.0635209508436 1.73212769296e-11 2.69538848711e-11 . . . . 1.41086884123e-37 8.03962305901e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 1 22 . 2 2 41 41 LEU N N 15 0.748530600622 0.0886639191452 . . . . . . 3.11617747957e-37 1.33777465933e-37 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 23 . 2 2 43 43 ASN N N 15 0.837706918306 0.0503381107512 2.86938806638e-11 4.22912826325e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 1 24 . 2 2 44 44 GLY N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 25 . 2 2 45 45 GLU N N 15 0.81893942891 0.0284656297213 1.7429887911e-11 5.827171567e-12 . . . . 1.32008640659e-37 3.5173961631e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 1 26 . 2 2 46 46 ARG N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 27 . 2 2 47 47 ILE N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 28 . 2 2 48 48 GLU N N 15 0.86212730743 0.0473030498739 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 1 29 . 2 2 49 49 LYS N N 15 0.38616044202 0.0121413553284 . . . . 8.72560667947e-10 7.44140667792e-11 . . . 'S2f, S2, ts' 0.50598345989 0.013749622908 0.763187875951 0.0193518251682 . . . . . . . . . 26712 1 30 . 2 2 51 51 GLU N N 15 0.786245869067 0.0504634743719 3.38458524201e-11 1.65620914617e-11 . . . . 1.58799177151e-37 6.88493478945e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 1 31 . 2 2 52 52 HIS N N 15 0.875216505384 0.029601145195 . . . . . . 1.23163623042e-37 4.1596396001e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 32 . 2 2 53 53 SER N N 15 0.859308199676 0.0865158515227 . . . . . . 3.29214949888e-37 1.65237583208e-37 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 33 . 2 2 54 54 ASP N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 34 . 2 2 55 55 LEU N N 15 0.819283465633 0.0733875116165 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 1 35 . 2 2 56 56 SER N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 36 . 2 2 57 57 PHE N N 15 0.574019744247 0.0320707772784 1.04277485636e-10 1.68093981813e-11 . . . . 1.13328879125e-37 3.64210423103e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 1 37 . 2 2 58 58 SER N N 15 0.73423011402 0.102077717064 . . . . . . 2.5098820469e-37 1.41855578824e-37 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 38 . 2 2 60 60 ASP N N 15 0.922395364119 0.0434548887509 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 1 39 . 2 2 61 61 TRP N N 15 0.818000634772 0.0585251931706 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 1 40 . 2 2 61 61 TRP NE1 N 15 0.765246202932 0.0425782933277 . . . . . . 7.83948765079e-38 4.94014499448e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 41 . 2 2 62 62 SER N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 42 . 2 2 63 63 PHE N N 15 0.339728270284 0.042067092892 . . . . 1.28791296226e-09 1.95129668451e-09 . . . 'S2f, S2, ts' 0.537793264922 0.0396848086442 0.631707930245 0.0692937637237 . . . . . . . . . 26712 1 43 . 2 2 64 64 TYR N N 15 0.816569128614 0.0722534401159 1.70737288784e-11 5.89899483028e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 1 44 . 2 2 65 65 LEU N N 15 0.957290478723 0.0421212815012 1.49834281104e-10 5.27714488647e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 1 45 . 2 2 66 66 LEU N N 15 0.851154034523 0.0995011045199 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 1 46 . 2 2 67 67 TYR N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 47 . 2 2 68 68 TYR N N 15 . . . . . . . . 1.22506670246e-37 6.58380118434e-38 . Rex . . . . . . . . . . . . . 26712 1 48 . 2 2 69 69 THR N N 15 0.834920655034 0.068535355485 . . . . . . 1.36338447413e-37 8.96902307476e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 49 . 2 2 70 70 GLU N N 15 0.852879577506 0.0317287196135 . . . . . . 6.09370775691e-38 3.90775750363e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 50 . 2 2 71 71 PHE N N 15 0.900305604425 0.0437479060901 4.65603774441e-11 1.70278559262e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 1 51 . 2 2 72 72 THR N N 15 0.8812317217 0.0368480401769 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 1 52 . 2 2 74 74 THR N N 15 0.750376102464 0.0457406580835 1.46827261869e-11 5.70110320417e-12 . . . . 2.11295671643e-37 5.69271642906e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 1 53 . 2 2 75 75 GLU N N 15 1.76865291387e-18 3.86993986152e-20 . . 3.56957741942e-28 5.23298274849e-30 5.00696653811e-10 5.69256212256e-24 1.75398520497e-35 6.27021577474e-50 . 'S2f, tf, S2, ts, Rex' -2.13771841776e-18 2.83141720357e-20 -0.827355417425 1.07380657181 . . . . . . . . . 26712 1 54 . 2 2 76 76 LYS N N 15 0.723330347019 0.0283674591141 2.66016757586e-11 5.93374879234e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 1 55 . 2 2 77 77 ASP N N 15 0.834809158021 0.034076173987 3.1121524266e-11 1.02084805659e-11 . . . . 1.5315591702e-37 3.90376284611e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 1 56 . 2 2 79 79 TYR N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 57 . 2 2 81 81 CYS N N 15 0.788744247865 0.0640575447097 . . . . . . 2.26137612667e-37 8.74516401714e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 58 . 2 2 82 82 ARG N N 15 0.775099069463 0.07023481675 . . . . . . 2.32676578788e-37 1.12493512417e-37 . 'S2, Rex' . . . . . . . . . . . . . 26712 1 59 . 2 2 83 83 VAL N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 60 . 2 2 84 84 ASN N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 61 . 2 2 85 85 HIS N N 15 0.646580337032 0.02754434372 . . . . 1.04296571227e-09 2.54513610912e-10 . . . 'S2f, S2, ts' 0.711754864073 0.0254418816089 0.908431216517 0.0160091275991 . . . . . . . . . 26712 1 62 . 2 2 86 86 VAL N N 15 0.86753727041 0.0686619582787 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 1 63 . 2 2 87 87 THR N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 64 . 2 2 88 88 LEU N N 15 0.892541270523 0.0427126380607 2.22401298982e-11 1.27082655887e-10 . . . . 1.76399379013e-37 5.90154246281e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 1 65 . 2 2 90 90 GLN N N 15 0.672745413113 0.109503282276 . . . . 1.35052885001e-09 4.83574989109e-10 2.32160416474e-37 9.29052341416e-38 . 'S2f, S2, ts, Rex' 0.743566523576 0.0908130975304 0.904754842752 0.0432613133852 . . . . . . . . . 26712 1 66 . 2 2 92 92 LYS N N 15 0.901752948152 0.0453012234799 4.28331553022e-11 1.55783424937e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 1 67 . 2 2 93 93 ILE N N 15 0.87709837908 0.0262641747324 1.80013682685e-11 1.21187205572e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 1 68 . 2 2 94 94 VAL N N 15 0.863468216035 0.0587406801401 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 1 69 . 2 2 95 95 LYS N N 15 0.918157434394 0.0372615757654 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 1 70 . 2 2 96 96 TRP N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 71 . 2 2 96 96 TRP NE1 N 15 0.837562543228 0.0418358833955 2.20971574401e-11 1.64937422822e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 1 72 . 2 2 97 97 ASP N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 1 73 . 2 2 98 98 ARG N N 15 0.808216591882 0.0623585659676 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 1 74 . 2 2 99 99 ASP N N 15 0.945806145496 0.0117245725859 5.25559581786e-10 1.73753185116e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 1 75 . 2 2 100 100 MET N N 15 0.393098125534 0.0125087896756 . . . . 1.57531287144e-09 3.90043869179e-10 . . . 'S2f, S2, ts' 0.51121939608 0.0131088450433 0.768942118683 0.0164099577874 . . . . . . . . . 26712 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 26712 _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 600 _Order_parameter_list.Rex_val_units s-1 _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 . 26712 2 2 '600.18 MHz R2' . . . 26712 2 3 '600.18 MHz steady-state NOE' . . . 26712 2 4 '750.46 MHz R1' . . . 26712 2 5 '750.46 MHz R2' . . . 26712 2 6 '750.46 MHz steady-state NOE' . . . 26712 2 7 '600.18 MHz R1' 1 $sample_1 . 26712 2 8 '600.18 MHz R2' . . . 26712 2 9 '600.18 MHz steady-state NOE' . . . 26712 2 10 '750.46 MHz R1' . . . 26712 2 11 '750.46 MHz R2' . . . 26712 2 12 '750.46 MHz steady-state NOE' . . . 26712 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 . . 26712 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 0.752694176574 0.00817449697003 4.43598844048e-12 1.95118167591e-12 . . . . 1.39585525135e-37 1.08242727929e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 2 . 1 1 203 203 HIS N N 15 0.819372917351 0.00643892952937 4.42559609873e-12 2.60710278437e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 2 3 . 1 1 205 205 THR N N 15 0.79207988386 0.00842950076485 6.22474133364e-12 2.25161178833e-12 . . . . 1.3811709642e-37 1.0717710948e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 4 . 1 1 206 206 HIS N N 15 0.711574426565 0.00511672847303 . . . . 8.39809942984e-10 1.23369634155e-10 . . . 'S2f, S2, ts' 0.745595985342 0.00495009970457 0.954369981268 0.00371434780389 . . . . . . . . . 26712 2 5 . 1 1 209 209 ILE N N 15 0.778581856931 0.00984811429641 1.8443349863e-11 3.15000645814e-12 . . . . 5.18405045585e-38 8.58058217255e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 6 . 1 1 210 210 SER N N 15 0.622179208351 0.0380421191629 . . 2.72752404894e-11 5.09255536239e-12 7.40755323701e-09 4.19923862227e-09 . . . 'S2f, tf, S2, ts' 0.778584633584 0.0155527271871 0.799115704977 0.0610783532796 . . . . . . . . . 26712 2 7 . 1 1 212 212 HIS N N 15 0.695565284768 0.0193338727823 . . . . 1.1522387187e-09 4.32392090254e-10 . . . 'S2f, S2, ts' 0.757418199506 0.0185146941151 0.918337168584 0.0152647505691 . . . . . . . . . 26712 2 8 . 1 1 213 213 GLU N N 15 0.793424124615 0.00628169230174 . . . . 6.41268398255e-10 1.04398370923e-10 . . . 'S2f, S2, ts' 0.829783736967 0.00591026058753 0.956181820958 0.00418157493009 . . . . . . . . . 26712 2 9 . 1 1 214 214 ALA N N 15 0.814871907004 0.00726314072714 . . . . 6.0649628375e-10 5.27137536117e-10 . . . 'S2f, S2, ts' 0.827905831273 0.0398268195401 0.984256755085 0.0371866529621 . . . . . . . . . 26712 2 10 . 1 1 215 215 THR N N 15 0.725474733684 0.00697521874183 6.31821176432e-12 1.81834853446e-12 . . . . 1.59118281451e-37 7.01927748451e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 11 . 1 1 218 218 CYS N N 15 0.809642705189 0.00974035583032 . . . . . . 8.2825507531e-38 1.49751653904e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 2 12 . 1 1 219 219 TRP N N 15 0.784900449846 0.00731034599189 . . . . . . 1.34259385311e-37 1.19641659046e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 2 13 . 1 1 220 220 ALA N N 15 0.796417213185 0.00735634996434 . . . . . . 1.06876262567e-37 1.19798214459e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 2 14 . 1 1 222 222 GLY N N 15 0.727332022229 0.00858427862463 1.52359294152e-11 1.65572591947e-12 . . . . 1.78010142957e-38 8.49238259878e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 15 . 1 1 223 223 PHE N N 15 0.840663140953 0.00702320126963 1.31084808664e-11 3.03953541843e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 2 16 . 1 1 224 224 TYR N N 15 0.785488869082 0.00811408882374 . . . . . . 1.30043970338e-37 1.12505202716e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 2 17 . 1 1 228 228 ILE N N 15 0.815109781773 0.00640056324804 7.79971577455e-12 2.32375262317e-12 . . . . 1.02027406977e-37 6.98195735997e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 18 . 1 1 229 229 THR N N 15 0.147458774131 0.0110593213045 . . . . 1.1532498045e-09 1.95864321287e-11 6.99982199538e-38 7.56646589326e-39 . 'S2f, S2, ts, Rex' 0.443638598272 0.00917868731958 0.332384906781 0.0185044863932 . . . . . . . . . 26712 2 19 . 1 1 231 231 THR N N 15 0.84019212649 0.00779387451884 1.01425953713e-11 2.89252369165e-12 . . . . 1.53056270771e-38 8.2880128719e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 20 . 1 1 233 233 GLN N N 15 0.841488983546 0.0058264164529 5.87498289384e-12 2.7409664479e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 2 21 . 1 1 234 234 ARG N N 15 0.84802254632 0.0046759620896 1.15894106989e-11 2.72350924744e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 2 22 . 1 1 235 235 ASP N N 15 0.821158312568 0.00669013530379 . . . . 9.06435288831e-10 1.18987665252e-10 . . . 'S2f, S2, ts' 0.869207483053 0.00614786772813 0.944720712348 0.00437109248077 . . . . . . . . . 26712 2 23 . 1 1 236 236 GLY N N 15 0.796635661702 0.0103397142032 . . . . 6.94839215685e-10 1.47494748594e-10 . . . 'S2f, S2, ts' 0.844404439654 0.00943422029749 0.943429030322 0.00737516338323 . . . . . . . . . 26712 2 24 . 1 1 237 237 GLU N N 15 0.883782754033 0.00594310218665 . . . . 4.8707077146e-10 8.79458068497e-11 . . . 'S2f, S2, ts' 0.91622307772 0.0052085153496 0.964593422197 0.00344504720828 . . . . . . . . . 26712 2 25 . 1 1 242 242 ASP N N 15 0.891231348502 0.00799427901619 7.37327722819e-11 9.84068809292e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 2 26 . 1 1 243 243 THR N N 15 0.806479489225 0.00827751606241 3.34517939798e-11 2.54579462169e-12 . . . . 2.6288900473e-38 7.19924016764e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 27 . 1 1 244 244 GLU N N 15 0.79614545937 0.00833783910828 9.3410136365e-12 2.30550644996e-12 . . . . 1.34732323884e-37 1.20298480279e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 28 . 1 1 245 245 LEU N N 15 0.833555994238 0.00443100626025 1.38220504444e-11 2.33380855827e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 2 29 . 1 1 246 246 VAL N N 15 0.797561817645 0.00757402594658 2.61115581498e-11 2.13033928587e-12 . . . . 3.82146295553e-38 8.53880260942e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 30 . 1 1 247 247 GLU N N 15 0.811968688986 0.00711493541632 1.40809360224e-11 2.51731705836e-12 . . . . 2.70842265283e-38 6.54361822229e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 31 . 1 1 249 249 ARG N N 15 0.808625530093 0.00992367616875 6.01663280711e-12 2.76095706768e-12 . . . . 2.07541386467e-37 1.49730327216e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 32 . 1 1 251 251 ALA N N 15 0.787060359134 0.00940420360645 4.93559854773e-12 2.63784347151e-12 . . . . 1.54146283301e-37 1.06985248551e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 33 . 1 1 252 252 GLY N N 15 0.903427581326 0.0174521522697 2.4015277383e-11 1.01350487923e-11 . . . . 5.00873916486e-38 1.63667429886e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 34 . 1 1 253 253 ASP N N 15 0.811926868396 0.0133073421978 1.88984319527e-11 4.82401120198e-12 . . . . 2.14564269614e-37 1.34512181251e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 35 . 1 1 254 254 ARG N N 15 0.702465871823 0.0154509596577 . . . . 1.6446924409e-09 1.07034468785e-09 . . . 'S2f, S2, ts' 0.809455053705 0.0158716108231 0.86782566692 0.0159040304268 . . . . . . . . . 26712 2 36 . 1 1 255 255 THR N N 15 0.784748499973 0.0137678475124 . . . . 8.17846606877e-10 1.93330906845e-10 . . . 'S2f, S2, ts' 0.847700417033 0.0125373925176 0.925738013342 0.00922276984304 . . . . . . . . . 26712 2 37 . 1 1 256 256 PHE N N 15 0.845780500827 0.00790820227552 . . . . . . 9.54848309794e-38 1.05328442482e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 2 38 . 1 1 257 257 GLN N N 15 0.764932341828 0.00665213600634 . . . . . . 1.14319208876e-37 9.08045070217e-39 . 'S2, Rex' . . . . . . . . . . . . . 26712 2 39 . 1 1 259 259 TRP N N 15 0.726456168348 0.00718169490784 . . . . . . 1.61025627075e-37 1.15089313626e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 2 40 . 1 1 260 260 ALA N N 15 0.896468500982 0.00640513677424 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 2 41 . 1 1 261 261 ALA N N 15 0.795977280357 0.00921370034139 . . . . . . 1.3829324873e-37 1.51465577261e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 2 42 . 1 1 263 263 VAL N N 15 0.59686861929 0.00502724215657 . . . . 1.36385460367e-09 1.40365829144e-10 . . . 'S2f, S2, ts' 0.654365759094 0.00459134918442 0.912133024987 0.004240295591 . . . . . . . . . 26712 2 43 . 1 1 267 267 GLY N N 15 0.791156170333 0.00707690688805 7.51469392921e-12 2.35909261025e-12 . . . . 3.01774221591e-38 5.84436879174e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 44 . 1 1 269 269 GLU N N 15 0.847962367292 0.00698777072672 1.48067288717e-11 3.69524768151e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 2 45 . 1 1 270 270 GLN N N 15 0.845431274407 0.00546910249224 1.44281202007e-11 3.46511395852e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 2 46 . 1 1 272 272 TYR N N 15 0.82429797361 0.00818419655432 2.06649616982e-11 2.79172526564e-12 . . . . 6.16097782839e-38 9.66202939088e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 47 . 1 1 273 273 THR N N 15 0.804113107395 0.00662076063401 . . . . 6.49473624504e-10 1.36412030707e-10 . . . 'S2f, S2, ts' 0.831478958317 0.00590481035893 0.967087740888 0.00373770042909 . . . . . . . . . 26712 2 48 . 1 1 275 275 HIS N N 15 0.878953110308 0.00667032125874 1.01285364485e-11 4.06429767501e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 2 49 . 1 1 276 276 VAL N N 15 0.807823141505 0.00578555070678 7.27623634413e-12 2.25808539843e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 2 50 . 1 1 277 277 GLN N N 15 0.850373450133 0.00493431926777 5.27516036407e-12 2.81796911301e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 2 51 . 1 1 278 278 HIS N N 15 0.79003715822 0.00656251136791 1.14488247633e-11 1.82193804294e-12 . . . . 2.93304395471e-38 6.83801847729e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 52 . 1 1 279 279 GLU N N 15 0.739371813812 0.00666397258489 . . . . 1.42593091544e-09 7.92823765791e-10 . . . 'S2f, S2, ts' 0.777549020743 0.00619756582646 0.950900578727 0.00505358019536 . . . . . . . . . 26712 2 53 . 1 1 280 280 GLY N N 15 0.79217718989 0.0115900715933 8.55395041334e-12 3.20777713799e-12 . . . . 1.45992890764e-37 1.48059024006e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 2 54 . 1 1 287 287 LEU N N 15 0.838939162935 0.00627263872901 1.62343180163e-11 3.06682263649e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 2 55 . 1 1 288 288 ARG N N 15 0.807221854309 0.0046265102527 . . . . 5.01192969995e-10 7.41715884543e-11 . . . 'S2f, S2, ts' 0.839470510999 0.00426642260896 0.961584527071 0.0029739210103 . . . . . . . . . 26712 2 56 . 1 1 289 289 TRP N N 15 0.779177303745 0.00418537853224 . . . . 6.25720242865e-10 5.36434542352e-11 . . . 'S2f, S2, ts' 0.828621314938 0.00407100436842 0.940329785993 0.00307909774548 . . . . . . . . . 26712 2 57 . 1 1 290 290 GLU N N 15 0.651625291256 0.00265894910874 . . . . 5.2334092323e-10 1.22257625039e-11 . . . 'S2f, S2, ts' 0.79101984755 0.00262701822158 0.82377868681 0.00234231418458 . . . . . . . . . 26712 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 26712 _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 600 _Order_parameter_list.Rex_val_units s-1 _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 . 26712 3 2 '600.18 MHz R2' . . . 26712 3 3 '600.18 MHz steady-state NOE' . . . 26712 3 4 '750.46 MHz R1' . . . 26712 3 5 '750.46 MHz R2' . . . 26712 3 6 '750.46 MHz steady-state NOE' . . . 26712 3 7 '600.18 MHz R1' 1 $sample_1 . 26712 3 8 '600.18 MHz R2' . . . 26712 3 9 '600.18 MHz steady-state NOE' . . . 26712 3 10 '750.46 MHz R1' . . . 26712 3 11 '750.46 MHz R2' . . . 26712 3 12 '750.46 MHz steady-state NOE' . . . 26712 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 . . 26712 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 19 19 SER N N 15 0.8520117194 0.00703362073522 1.09592151448e-11 3.07056790885e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 2 . 1 1 21 21 ARG N N 15 0.906414963309 0.0187093154991 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 3 . 1 1 22 22 TYR N N 15 0.90482454806 0.0131503881503 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 4 . 1 1 27 27 VAL N N 15 0.859535501485 0.0130724959775 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 5 . 1 1 28 28 SER N N 15 0.942418846049 0.00922264312616 2.49516653165e-11 1.24487383081e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 6 . 1 1 31 31 GLY N N 15 0.334383423146 0.00800593707311 . . . . 9.84365918183e-10 5.95810416055e-11 . . . 'S2f, S2, ts' 0.533174297143 0.0220919527273 0.627155931818 0.02882123635 . . . . . . . . . 26712 3 7 . 1 1 33 33 GLY N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 3 8 . 1 1 34 34 GLU N N 15 0.632378051483 0.00585892350797 . . . . 1.56582547005e-09 3.16224069717e-10 . . . 'S2f, S2, ts' 0.737815953257 0.00772888298401 0.85709457581 0.00664483441985 . . . . . . . . . 26712 3 9 . 1 1 36 36 ARG N N 15 0.799203234737 0.0127675359238 . . . . 2.61544020917e-09 2.76602742616e-09 . . . 'S2f, S2, ts' 0.835051775116 0.00959538350553 0.957070278217 0.0125251519756 . . . . . . . . . 26712 3 10 . 1 1 37 37 PHE N N 15 0.840818364122 0.0143009207805 . . . . 1.2327151275e-09 2.32492441792e-09 . . . 'S2f, S2, ts' 0.867179305185 0.0122069349237 0.969601510431 0.00854854281399 . . . . . . . . . 26712 3 11 . 1 1 38 38 ILE N N 15 0.897684746586 0.00825653920498 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 12 . 1 1 39 39 THR N N 15 0.915561169604 0.0125108968873 . . . . . . 5.31038189649e-38 1.5234361847e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 3 13 . 1 1 41 41 GLY N N 15 0.86993654791 0.011067495021 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 14 . 1 1 44 44 ASP N N 15 0.87416057332 0.00623457311128 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 15 . 1 1 45 45 ASP N N 15 0.800234539181 0.0138123469187 . . . . 1.60619850121e-09 2.43889192713e-09 . . . 'S2f, S2, ts' 0.822178283838 0.011007736395 0.973310235614 0.00916152964447 . . . . . . . . . 26712 3 16 . 1 1 46 46 THR N N 15 0.863276549281 0.0130715897714 . . . . 2.50378864548e-09 2.56031814484e-09 . . . 'S2f, S2, ts' 0.87894531356 0.010318944061 0.982173220521 0.00666415701684 . . . . . . . . . 26712 3 17 . 1 1 47 47 LEU N N 15 0.845076890135 0.00704294543828 6.77413466379e-12 2.90500825382e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 18 . 1 1 49 49 VAL N N 15 0.96003301823 0.0229162293551 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 19 . 1 1 50 50 ARG N N 15 0.505306676033 0.0310390882652 . . 4.60659363221e-12 2.28327868025e-12 4.97846145457e-09 4.88699559706e-09 . . . 'S2f, tf, S2, ts' 0.600128533345 0.016330253736 0.841997419337 0.0645983223684 . . . . . . . . . 26712 3 20 . 1 1 51 51 PHE N N 15 0.844475590849 0.0133113103283 . . . . . . 7.17976812103e-38 1.55886362002e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 3 21 . 1 1 52 52 ASP N N 15 0.595782146939 0.00725990190702 . . . . 1.53761499526e-09 4.24727894295e-10 . . . 'S2f, S2, ts' 0.647022005069 0.00697807017356 0.920806622142 0.00574715780457 . . . . . . . . . 26712 3 22 . 1 1 53 53 SER N N 15 0.838844090695 0.0132664158542 1.03311910512e-11 4.13700241161e-12 . . . . 7.05766733371e-38 1.37122708042e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 3 23 . 1 1 54 54 ASP N N 15 0.865562499794 0.00933278084305 . . . . 7.57040065702e-10 1.46679646365e-10 . . . 'S2f, S2, ts' 0.9015307467 0.0086036451026 0.96010313898 0.00465517194944 . . . . . . . . . 26712 3 24 . 1 1 55 55 ALA N N 15 0.630190610427 0.00330093999785 . . 2.70997903699e-11 7.65450782456e-12 6.8266161487e-10 6.11520095892e-11 . . . 'S2f, tf, S2, ts' 0.761202354424 0.0134898317417 0.827888414578 0.014520260734 . . . . . . . . . 26712 3 25 . 1 1 56 56 ALA N N 15 0.122303774563 0.0636801193555 . . 1.2859079318e-11 2.60656719869e-12 2.96338917878e-09 2.01036937996e-09 3.40382578937e-37 4.84628197838e-38 . 'S2f, tf, S2, ts, Rex' 0.266096290188 0.0500344735265 0.459622246055 0.169833226798 . . . . . . . . . 26712 3 26 . 1 1 57 57 SER N N 15 0.550185169744 0.00751415010427 . . . . 8.43539703565e-10 5.20619761684e-11 . . . 'S2f, S2, ts' 0.681344559788 0.0101863521313 0.807499174743 0.0107944310153 . . . . . . . . . 26712 3 27 . 1 1 64 64 ALA N N 15 0.850398587577 0.0146480697637 . . . . . . 5.53677336992e-38 2.56582684237e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 3 28 . 1 1 66 66 TRP N N 15 0.919934341946 0.0104870529731 2.43828868082e-11 9.40907227284e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 29 . 1 1 67 67 ILE N N 15 0.939117066738 0.0162449083759 5.45078298233e-11 3.60556250418e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 30 . 1 1 68 68 GLU N N 15 0.92856301893 0.0186104755549 3.32359904446e-11 1.28644069874e-11 . . . . 4.8130868363e-38 2.39390783376e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 3 31 . 1 1 69 69 GLN N N 15 0.746414787288 0.00930199694009 . . . . 6.68912068587e-10 4.48570787494e-11 . . . 'S2f, S2, ts' 0.85952212448 0.0091731381661 0.86840671814 0.00613052728428 . . . . . . . . . 26712 3 32 . 1 1 70 70 GLU N N 15 0.905949915795 0.00887038874752 1.6271896932e-11 5.16981947387e-12 . . . . 5.26350000461e-38 1.1510285479e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 3 33 . 1 1 74 74 TYR N N 15 0.835609313574 0.0111513563948 . . . . 1.0049248839e-09 4.17517791443e-10 . . . 'S2f, S2, ts' 0.878765537545 0.0101022646644 0.950889944898 0.00535869734033 . . . . . . . . . 26712 3 34 . 1 1 75 75 TRP N N 15 0.915006206068 0.012261830378 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 35 . 1 1 77 77 ARG N N 15 0.865780643758 0.0159051305856 . . . . 9.72962981877e-10 8.25689489874e-10 . . . 'S2f, S2, ts' 0.897222028404 0.0146550837107 0.964956963096 0.00730195473275 . . . . . . . . . 26712 3 36 . 1 1 79 79 THR N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 3 37 . 1 1 82 82 CYS N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 26712 3 38 . 1 1 83 83 LYS N N 15 0.897549772188 0.0206347617041 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 39 . 1 1 84 84 ALA N N 15 0.658667062594 0.0189180218822 . . . . 1.21484930506e-09 2.80438949551e-10 . . . 'S2f, S2, ts' 0.73603553099 0.0175671937849 0.894884872892 0.0118403043169 . . . . . . . . . 26712 3 40 . 1 1 85 85 LYS N N 15 0.647837208213 0.00450536727016 . . 1.83286145633e-11 3.70970900352e-12 2.28276425144e-09 4.23051585054e-10 . . . 'S2f, tf, S2, ts' 0.739370064229 0.00624421110943 0.876201566111 0.0050335828528 . . . . . . . . . 26712 3 41 . 1 1 86 86 ALA N N 15 0.896078446233 0.0307048141469 . . . . . . 1.50890522574e-37 3.84977327354e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 3 42 . 1 1 87 87 GLN N N 15 0.911346812854 0.0175587094878 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 43 . 1 1 88 88 THR N N 15 0.740231824157 0.0277537203074 . . . . 1.50105623865e-09 1.58134427366e-09 . . . 'S2f, S2, ts' 0.799866804722 0.0234314340219 0.925443861136 0.0190327346098 . . . . . . . . . 26712 3 44 . 1 1 90 90 ARG N N 15 0.253928711281 0.00468140014577 . . . . 1.47209133666e-09 1.15457089908e-10 . . . 'S2f, S2, ts' 0.390766271555 0.00609815232781 0.649822489211 0.00935711819533 . . . . . . . . . 26712 3 45 . 1 1 91 91 GLU N N 15 0.833726524413 0.0260907594154 . . . . 1.34918912974e-09 2.62679011717e-09 . . . 'S2f, S2, ts' 0.8618808415 0.0208173287004 0.967333863649 0.0142463118709 . . . . . . . . . 26712 3 46 . 1 1 92 92 ASP N N 15 0.899737846626 0.0186244284555 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 47 . 1 1 93 93 LEU N N 15 0.933804326572 0.0173858523609 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 48 . 1 1 94 94 ARG N N 15 0.848779072412 0.0220888719195 . . . . 6.941878808e-10 1.91857447975e-09 . . . 'S2f, S2, ts' 0.872019742824 0.0378106090658 0.973348458446 0.0277884065953 . . . . . . . . . 26712 3 49 . 1 1 97 97 LEU N N 15 0.902219314152 0.00948121795172 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 50 . 1 1 98 98 ARG N N 15 0.880265528657 0.00766025137604 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 51 . 1 1 99 99 TYR N N 15 0.912563862707 0.0126769074308 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 52 . 1 1 100 100 TYR N N 15 0.798778442386 0.01562368906 . . . . 8.16731521706e-10 7.70411648239e-10 . . . 'S2f, S2, ts' 0.819076297832 0.0264884058013 0.97521860231 0.0193572571283 . . . . . . . . . 26712 3 53 . 1 1 102 102 GLN N N 15 0.827033729249 0.0121740228232 . . . . 4.03605956894e-09 4.37916962226e-09 . . . 'S2f, S2, ts' 0.852507592905 0.00807041943091 0.970118901155 0.0134222935704 . . . . . . . . . 26712 3 54 . 1 1 106 106 GLY N N 15 0.499998703962 0.012045527397 . . . . 6.19169052857e-10 4.42737294497e-11 . . . 'S2f, S2, ts' 0.708008528756 0.0210310003335 0.706204351579 0.0195895482779 . . . . . . . . . 26712 3 55 . 1 1 107 107 SER N N 15 0.673453672862 0.0103166402238 . . . . 7.08880816359e-10 1.03677369051e-10 . . . 'S2f, S2, ts' 0.735749860368 0.0110853917756 0.91532966452 0.00864643717967 . . . . . . . . . 26712 3 56 . 1 1 108 108 HIS N N 15 0.61147060165 0.00711386130529 . . . . 1.4573273269e-09 2.59245346139e-10 . . . 'S2f, S2, ts' 0.69507991636 0.00781831545078 0.879712659304 0.006369257043 . . . . . . . . . 26712 3 57 . 1 1 109 109 THR N N 15 0.802929399688 0.00721914218026 1.50040867889e-11 3.42587682502e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 58 . 1 1 110 110 LEU N N 15 0.906045158144 0.0170694568823 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 59 . 1 1 113 113 MET N N 15 0.909039446538 0.0395764412685 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 60 . 1 1 115 115 GLY N N 15 0.917172538567 0.0243485257576 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 61 . 1 1 116 116 CYS N N 15 0.801474235829 0.0230804194632 . . . . 1.40604002451e-09 2.58841184956e-09 . . . 'S2f, S2, ts' 0.82638329356 0.0223960807699 0.96985774286 0.0152792345947 . . . . . . . . . 26712 3 62 . 1 1 117 117 ASP N N 15 0.866650618219 0.0122067457739 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 63 . 1 1 118 118 VAL N N 15 0.868619334471 0.0177579103938 . . . . 5.82421372175e-10 7.35422939656e-10 . . . 'S2f, S2, ts' 0.886279979565 0.0343567781461 0.980073288915 0.0254952999319 . . . . . . . . . 26712 3 64 . 1 1 119 119 GLY N N 15 0.75873483708 0.0121424755664 . . . . 1.269795634e-09 1.17153151324e-09 . . . 'S2f, S2, ts' 0.79348340893 0.0106137767436 0.956207563309 0.00657083249895 . . . . . . . . . 26712 3 65 . 1 1 121 121 ASP N N 15 0.539418778165 0.00469940192366 . . . . 1.20924507814e-09 1.01805476172e-10 . . . 'S2f, S2, ts' 0.633943296707 0.00554139680869 0.850894363844 0.00577685260819 . . . . . . . . . 26712 3 66 . 1 1 122 122 GLY N N 15 0.67993023051 0.0612700325874 . . . . 1.4361616141e-09 2.95943506269e-10 9.39991847911e-38 4.91738418761e-38 . 'S2f, S2, ts, Rex' 0.755721888836 0.050966431712 0.899709589791 0.0224649886659 . . . . . . . . . 26712 3 67 . 1 1 123 123 ARG N N 15 0.817368849861 0.00674191809444 . . . . 8.91390929251e-10 7.46935552721e-11 . . . 'S2f, S2, ts' 0.88008230835 0.0060788563028 0.928741371239 0.00349590260184 . . . . . . . . . 26712 3 68 . 1 1 125 125 LEU N N 15 0.804500789913 0.0232095397253 . . . . 1.20135206848e-09 8.5635514229e-10 . . . 'S2f, S2, ts' 0.843583831142 0.0198305461234 0.953670234318 0.00864464040526 . . . . . . . . . 26712 3 69 . 1 1 126 126 ARG N N 15 0.78235900559 0.0255082198776 . . . . 9.30411865892e-10 9.85667313551e-10 . . . 'S2f, S2, ts' 0.814341497656 0.0261238221549 0.960725945861 0.0171453766654 . . . . . . . . . 26712 3 70 . 1 1 127 127 GLY N N 15 0.759375851 0.027617682532 . . . . 7.97856138181e-10 3.54499131951e-10 . . . 'S2f, S2, ts' 0.810278659386 0.0257801616324 0.937178638737 0.0151200596178 . . . . . . . . . 26712 3 71 . 1 1 128 128 TYR N N 15 0.852696313941 0.0119444409999 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 72 . 1 1 129 129 HIS N N 15 0.87049848921 0.0271576512644 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 73 . 1 1 130 130 GLN N N 15 . . . . . . . . 2.52510363144e-37 1.027903483e-37 . Rex . . . . . . . . . . . . . 26712 3 74 . 1 1 132 132 ALA N N 15 0.917043506839 0.0249589316645 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 75 . 1 1 134 134 ASP N N 15 0.774045996185 0.0878458541533 . . . . 1.16689086642e-09 1.99268543132e-09 1.18600816997e-37 6.65962145729e-38 . 'S2f, S2, ts, Rex' 0.810303149441 0.0793183876574 0.955254828664 0.0409501531171 . . . . . . . . . 26712 3 76 . 1 1 135 135 GLY N N 15 0.822497470289 0.04417163357 1.17342285139e-11 7.54087253985e-12 . . . . 1.45909636598e-37 5.28317967275e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 26712 3 77 . 1 1 139 139 ILE N N 15 0.878930290792 0.0298682375023 1.86809822361e-11 1.17288952493e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 78 . 1 1 140 140 ALA N N 15 0.841955436548 0.0484082093263 . . . . . . 1.82440727041e-37 7.98167506308e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 3 79 . 1 1 141 141 LEU N N 15 0.900619221065 0.0158825520887 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 80 . 1 1 143 143 GLU N N 15 0.87064680083 0.00979384657003 2.24847149951e-11 6.29228190417e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 81 . 1 1 144 144 ASP N N 15 0.84314883431 0.00736843911228 . . . . 1.35789215352e-09 4.50416170333e-10 . . . 'S2f, S2, ts' 0.888695076147 0.0071426075899 0.948749303266 0.00419691161121 . . . . . . . . . 26712 3 82 . 1 1 145 145 LEU N N 15 0.944149635305 0.016826376121 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 83 . 1 1 146 146 SER N N 15 0.395235580128 0.184119549248 . . . . 2.71177609207e-09 2.99139326052e-09 3.20912911042e-37 1.36393443442e-37 . 'S2f, S2, ts, Rex' 0.489775819252 0.138562442125 0.806972424102 0.226304151756 . . . . . . . . . 26712 3 84 . 1 1 147 147 SER N N 15 0.69282481792 0.0189827954488 . . . . 7.4181927185e-10 1.73779912787e-10 . . . 'S2f, S2, ts' 0.740665625384 0.0175729806573 0.935408359961 0.0104530559024 . . . . . . . . . 26712 3 85 . 1 1 149 149 THR N N 15 0.792316526953 0.0107219988964 . . . . 1.16924792486e-09 2.17654033355e-09 . . . 'S2f, S2, ts' 0.809257820922 0.009278856081 0.979065640724 0.00587901754199 . . . . . . . . . 26712 3 86 . 1 1 150 150 ALA N N 15 0.773469942926 0.0131787641814 . . . . 1.949144369e-09 1.97366912295e-09 . . . 'S2f, S2, ts' 0.819157899017 0.0109667410719 0.944225702828 0.0107336808908 . . . . . . . . . 26712 3 87 . 1 1 151 151 ALA N N 15 0.472916887513 0.0465982934072 . . . . 7.25948188388e-09 4.98883672988e-09 . . . 'S2f, S2, ts' 0.637999080349 0.0234005038464 0.741250108472 0.0912939784258 . . . . . . . . . 26712 3 88 . 1 1 152 152 ASP N N 15 0.641304384063 0.0378225964377 . . . . 1.40156940864e-09 2.33709748422e-10 5.44489576289e-38 2.86450416682e-38 . 'S2f, S2, ts, Rex' 0.713342165089 0.0315881429376 0.899013706834 0.0142509766651 . . . . . . . . . 26712 3 89 . 1 1 153 153 THR N N 15 0.513245061838 0.166647834234 . . . . 1.80727012167e-09 2.62333618324e-09 1.91410042543e-37 1.21468578632e-37 . 'S2f, S2, ts, Rex' 0.607082701746 0.129928903378 0.845428572355 0.143892345831 . . . . . . . . . 26712 3 90 . 1 1 154 154 ALA N N 15 0.871563363591 0.0114657690651 . . . . 8.18854735201e-10 1.73662550092e-10 . . . 'S2f, S2, ts' 0.912092810933 0.0103711003762 0.955564338567 0.00544926498153 . . . . . . . . . 26712 3 91 . 1 1 155 155 ALA N N 15 0.827519460508 0.0186723733606 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 92 . 1 1 156 156 GLN N N 15 0.890379662917 0.0117344815902 2.13594710897e-11 7.14913037821e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 93 . 1 1 157 157 ILE N N 15 0.461486064432 0.158810647644 . . . . 2.47825938836e-09 3.26088603453e-09 3.5068460364e-37 1.25128676082e-37 . 'S2f, S2, ts, Rex' 0.547520683874 0.118434646751 0.842865078956 0.157495867133 . . . . . . . . . 26712 3 94 . 1 1 158 158 THR N N 15 0.892159980647 0.020052688722 1.67989433993e-11 1.02053826877e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 95 . 1 1 160 160 ARG N N 15 0.936207371965 0.0139174536363 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 96 . 1 1 161 161 LYS N N 15 0.832158171799 0.0193700444467 . . . . 1.2094716573e-09 1.62898869629e-09 . . . 'S2f, S2, ts' 0.860415434049 0.016552275092 0.967158582782 0.00744197317081 . . . . . . . . . 26712 3 97 . 1 1 163 163 GLU N N 15 0.822322143494 0.0276367515079 . . . . 1.86647831424e-09 3.23350761489e-09 . . . 'S2f, S2, ts' 0.857012235898 0.0213253051028 0.959522057036 0.0175180927695 . . . . . . . . . 26712 3 98 . 1 1 164 164 ALA N N 15 1.66453989739e-15 0.0579523236398 . . . . 2.29337393785e-09 4.14368721616e-10 3.95934538913e-37 5.4936969253e-38 . 'S2f, S2, ts, Rex' 0.176611136022 0.0479261533715 -6.85590092834e-13 0.190930438411 . . . . . . . . . 26712 3 99 . 1 1 165 165 ALA N N 15 0.840499860523 0.0178686153741 9.50286958533e-12 5.26259754434e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 100 . 1 1 167 167 VAL N N 15 0.931106644994 0.0277453199656 . . . . 9.61829605847e-10 2.00054684941e-09 . . . 'S2f, S2, ts' 0.957979868047 0.0246763393484 0.971948029442 0.00980989243517 . . . . . . . . . 26712 3 101 . 1 1 168 168 ALA N N 15 0.940765339629 0.0201238319818 2.97026770598e-11 4.57384261983e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 102 . 1 1 170 170 GLN N N 15 0.899355455137 0.0257856784648 . . . . 6.74772069807e-10 4.96414830452e-10 . . . 'S2f, S2, ts' 0.935686032906 0.0234533879065 0.961172255978 0.00963695292066 . . . . . . . . . 26712 3 103 . 1 1 172 172 ARG N N 15 0.936987247963 0.0294388866711 5.8923425889e-11 1.36991058852e-10 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 104 . 1 1 173 173 ALA N N 15 0.912539435156 0.0179030633865 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 105 . 1 1 174 174 TYR N N 15 0.840149121266 0.0286469536589 . . . . 7.41125032884e-10 4.86400156598e-10 . . . 'S2f, S2, ts' 0.873210563393 0.0302595996261 0.962138064388 0.0150564645187 . . . . . . . . . 26712 3 106 . 1 1 175 175 LEU N N 15 0.905516603771 0.0373551823528 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 107 . 1 1 176 176 GLU N N 15 0.70960913387 0.0283497050193 . . . . 1.18587865435e-09 1.45885703968e-09 . . . 'S2f, S2, ts' 0.748411945197 0.0240181221387 0.948153137352 0.0135048450988 . . . . . . . . . 26712 3 108 . 1 1 177 177 GLY N N 15 0.757161834976 0.0120952365236 . . . . 1.1446216404e-09 1.79208721653e-10 . . . 'S2f, S2, ts' 0.803324004442 0.0107143566216 0.942536051166 0.0051060150195 . . . . . . . . . 26712 3 109 . 1 1 178 178 GLU N N 15 0.769586698034 0.0156636356557 . . . . 7.83700717628e-10 1.74899449573e-10 . . . 'S2f, S2, ts' 0.815426335044 0.013968325142 0.943784453555 0.00750799392362 . . . . . . . . . 26712 3 110 . 1 1 179 179 CYS N N 15 0.886447870077 0.0254479736753 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 111 . 1 1 180 180 VAL N N 15 0.82116611205 0.0129890041494 6.09740168339e-12 3.82031028648e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 112 . 1 1 181 181 GLU N N 15 0.766259133189 0.0229744242767 . . . . 3.63796752443e-09 4.07426870228e-09 . . . 'S2f, S2, ts' 0.809689716101 0.0175211947791 0.946361449271 0.0229442999568 . . . . . . . . . 26712 3 113 . 1 1 185 185 ARG N N 15 0.943929401648 0.0137352696025 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 114 . 1 1 187 187 LEU N N 15 0.836358796859 0.0152993217022 . . . . . . 8.11504540285e-38 2.42278315051e-38 . 'S2, Rex' . . . . . . . . . . . . . 26712 3 115 . 1 1 188 188 GLU N N 15 0.899170393953 0.0177352609374 . . . . . . . . . S2 . . . . . . . . . . . . . 26712 3 116 . 1 1 191 191 LYS N N 15 0.938688167889 0.00850856124689 4.2767902119e-11 1.04954703253e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 26712 3 117 . 1 1 192 192 GLU N N 15 0.872080966833 0.0102590970007 . . . . 1.20507385203e-09 6.06092608918e-10 . . . 'S2f, S2, ts' 0.920903400229 0.00951050836427 0.946984196839 0.00564466555077 . . . . . . . . . 26712 3 118 . 1 1 193 193 THR N N 15 0.900308419571 0.0259469577865 . . . . 7.29656640137e-10 3.34962657005e-10 . . . 'S2f, S2, ts' 0.940689020277 0.0227048366212 0.957073379368 0.00921691126327 . . . . . . . . . 26712 3 119 . 1 1 195 195 GLN N N 15 0.817268522935 0.0148195771407 . . . . 6.69565557223e-10 2.55916096454e-10 . . . 'S2f, S2, ts' 0.851950087373 0.0131044676362 0.959291553634 0.00759322080649 . . . . . . . . . 26712 3 stop_ save_