######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 50553 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name 15N _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units ms _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 'T2/R2 relaxation' . . . 50553 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $software_1 . . 50553 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 ASN N N 15 -0.49212 -0.15018 . . . . . . . 50553 1 2 . 1 1 4 4 LYS N N 15 0.2479 0.01958 . . . . . . . 50553 1 3 . 1 1 7 7 ASN N N 15 0.28601 0.12219 . . . . . . . 50553 1 4 . 1 1 8 8 THR N N 15 0.33078 -0.35693 . . . . . . . 50553 1 5 . 1 1 9 9 THR N N 15 0.40566 -0.32089 . . . . . . . 50553 1 6 . 1 1 11 11 SER N N 15 0.78792 -0.18179 . . . . . . . 50553 1 7 . 1 1 12 12 PHE N N 15 0.00755 -1.65E-04 . . . . . . . 50553 1 8 . 1 1 13 13 SER N N 15 0.22127 0.05491 . . . . . . . 50553 1 9 . 1 1 14 14 PHE N N 15 0.1179 0.08179 . . . . . . . 50553 1 10 . 1 1 15 15 GLY N N 15 -2.57702 -0.46466 . . . . . . . 50553 1 11 . 1 1 16 16 ALA N N 15 0.26566 0.01577 . . . . . . . 50553 1 12 . 1 1 17 17 LYS N N 15 0.27687 0.02822 . . . . . . . 50553 1 13 . 1 1 18 18 SER N N 15 0.25759 -0.04321 . . . . . . . 50553 1 14 . 1 1 19 19 ASP N N 15 0.29552 0.02385 . . . . . . . 50553 1 15 . 1 1 20 20 GLU N N 15 0.20316 0.05787 . . . . . . . 50553 1 16 . 1 1 21 21 ASN N N 15 -0.48767 -0.4246 . . . . . . . 50553 1 17 . 1 1 22 22 LYS N N 15 0.20745 0.054 . . . . . . . 50553 1 18 . 1 1 23 23 ALA N N 15 0.25462 0.07273 . . . . . . . 50553 1 19 . 1 1 24 24 GLY N N 15 -0.38194 -0.45689 . . . . . . . 50553 1 20 . 1 1 25 25 ALA N N 15 0.26187 0.01185 . . . . . . . 50553 1 21 . 1 1 26 26 THR N N 15 0.01997 -0.00496 . . . . . . . 50553 1 22 . 1 1 27 27 SER N N 15 0.03794 -4.98E-04 . . . . . . . 50553 1 23 . 1 1 28 28 LYS N N 15 0.26788 0.02409 . . . . . . . 50553 1 24 . 1 1 30 30 ALA N N 15 0.28445 0.00802 . . . . . . . 50553 1 25 . 1 1 31 31 PHE N N 15 0.20104 0.0251 . . . . . . . 50553 1 26 . 1 1 32 32 SER N N 15 0.2332 0.06037 . . . . . . . 50553 1 27 . 1 1 33 33 PHE N N 15 0.1179 0.08179 . . . . . . . 50553 1 28 . 1 1 34 34 GLY N N 15 -2.57702 -0.46466 . . . . . . . 50553 1 29 . 1 1 35 35 ALA N N 15 0.19171 0.05992 . . . . . . . 50553 1 30 . 1 1 36 36 LYS N N 15 0.29799 0.01845 . . . . . . . 50553 1 31 . 1 1 38 38 GLU N N 15 0.01264 -6.18E-04 . . . . . . . 50553 1 32 . 1 1 39 39 GLU N N 15 0.19791 0.07781 . . . . . . . 50553 1 33 . 1 1 40 40 LYS N N 15 0.27111 0.02256 . . . . . . . 50553 1 34 . 1 1 41 41 LYS N N 15 0.27694 0.02706 . . . . . . . 50553 1 35 . 1 1 42 42 ASP N N 15 0.26664 0.07876 . . . . . . . 50553 1 36 . 1 1 43 43 ASP N N 15 0.27491 0.02499 . . . . . . . 50553 1 37 . 1 1 44 44 ASN N N 15 -0.5044 -0.40892 . . . . . . . 50553 1 38 . 1 1 45 45 SER N N 15 7.39244 -0.17731 . . . . . . . 50553 1 39 . 1 1 46 46 SER N N 15 -2.07255 -0.02681 . . . . . . . 50553 1 40 . 1 1 47 47 LYS N N 15 0.2971 0.36965 . . . . . . . 50553 1 41 . 1 1 49 49 ALA N N 15 0.28445 0.00802 . . . . . . . 50553 1 42 . 1 1 50 50 PHE N N 15 0.20104 0.0251 . . . . . . . 50553 1 43 . 1 1 51 51 SER N N 15 0.2332 0.06037 . . . . . . . 50553 1 44 . 1 1 52 52 PHE N N 15 0.1179 0.08179 . . . . . . . 50553 1 45 . 1 1 53 53 GLY N N 15 -2.57702 -0.46466 . . . . . . . 50553 1 46 . 1 1 54 54 ALA N N 15 0.26566 0.01577 . . . . . . . 50553 1 47 . 1 1 55 55 LYS N N 15 0.21528 0.02652 . . . . . . . 50553 1 48 . 1 1 56 56 SER N N 15 0.03932 -0.00909 . . . . . . . 50553 1 49 . 1 1 57 57 ASN N N 15 0.21938 0.09864 . . . . . . . 50553 1 50 . 1 1 58 58 GLU N N 15 0.23405 0.03381 . . . . . . . 50553 1 51 . 1 1 59 59 ASP N N 15 0.27491 0.02499 . . . . . . . 50553 1 52 . 1 1 60 60 LYS N N 15 0.33012 0.28634 . . . . . . . 50553 1 53 . 1 1 61 61 GLN N N 15 0.2479 0.01958 . . . . . . . 50553 1 54 . 1 1 62 62 ASP N N 15 0.25442 0.00937 . . . . . . . 50553 1 55 . 1 1 63 63 GLY N N 15 0.20958 0.13201 . . . . . . . 50553 1 56 . 1 1 64 64 THR N N 15 0.21213 0.02834 . . . . . . . 50553 1 57 . 1 1 65 65 ALA N N 15 0.20351 0.03294 . . . . . . . 50553 1 58 . 1 1 66 66 LYS N N 15 0.31305 0.02185 . . . . . . . 50553 1 59 . 1 1 68 68 ALA N N 15 0.28445 0.00802 . . . . . . . 50553 1 60 . 1 1 69 69 PHE N N 15 0.20104 0.0251 . . . . . . . 50553 1 61 . 1 1 70 70 SER N N 15 0.2332 0.06037 . . . . . . . 50553 1 62 . 1 1 71 71 PHE N N 15 0.11556 0.04241 . . . . . . . 50553 1 63 . 1 1 72 72 GLY N N 15 -2.57702 -0.46466 . . . . . . . 50553 1 64 . 1 1 73 73 ALA N N 15 0.59333 -1.37718 . . . . . . . 50553 1 65 . 1 1 74 74 LYS N N 15 0.29799 0.01845 . . . . . . . 50553 1 66 . 1 1 78 78 LYS N N 15 0.1856 0.03095 . . . . . . . 50553 1 67 . 1 1 79 79 ASN N N 15 0.28662 0.11877 . . . . . . . 50553 1 68 . 1 1 80 80 ASN N N 15 0.25468 0.01419 . . . . . . . 50553 1 69 . 1 1 81 81 ASN N N 15 0.000447 -2.64E-13 . . . . . . . 50553 1 70 . 1 1 82 82 GLU N N 15 0.27687 0.02822 . . . . . . . 50553 1 71 . 1 1 83 83 THR N N 15 0.33078 -0.35693 . . . . . . . 50553 1 72 . 1 1 84 84 SER N N 15 0.17813 0.76458 . . . . . . . 50553 1 73 . 1 1 85 85 LYS N N 15 0.21919 0.0241 . . . . . . . 50553 1 74 . 1 1 87 87 ALA N N 15 0.28445 0.00802 . . . . . . . 50553 1 75 . 1 1 88 88 PHE N N 15 0.20104 0.0251 . . . . . . . 50553 1 76 . 1 1 89 89 SER N N 15 0.2332 0.06037 . . . . . . . 50553 1 77 . 1 1 90 90 PHE N N 15 0.1179 0.08179 . . . . . . . 50553 1 78 . 1 1 91 91 GLY N N 15 0.26632 0.08728 . . . . . . . 50553 1 79 . 1 1 92 92 ALA N N 15 0.26566 0.01577 . . . . . . . 50553 1 80 . 1 1 93 93 LYS N N 15 0.27687 0.02822 . . . . . . . 50553 1 81 . 1 1 94 94 SER N N 15 0.25759 -0.04321 . . . . . . . 50553 1 82 . 1 1 95 95 ASP N N 15 0.29552 0.02385 . . . . . . . 50553 1 83 . 1 1 96 96 GLU N N 15 0.13851 0.08942 . . . . . . . 50553 1 84 . 1 1 97 97 LYS N N 15 0.22146 0.08186 . . . . . . . 50553 1 85 . 1 1 98 98 LYS N N 15 0.27111 0.02256 . . . . . . . 50553 1 86 . 1 1 99 99 ASP N N 15 0.14633 0.02822 . . . . . . . 50553 1 87 . 1 1 100 100 GLY N N 15 0.21596 0.14512 . . . . . . . 50553 1 88 . 1 1 101 101 ASP N N 15 0.31015 0.06411 . . . . . . . 50553 1 89 . 1 1 102 102 ALA N N 15 0.31779 0.02046 . . . . . . . 50553 1 90 . 1 1 103 103 SER N N 15 0.1397 0.03929 . . . . . . . 50553 1 91 . 1 1 104 104 LYS N N 15 0.23179 0.06045 . . . . . . . 50553 1 92 . 1 1 106 106 ALA N N 15 0.28445 0.00802 . . . . . . . 50553 1 93 . 1 1 107 107 PHE N N 15 0.20104 0.0251 . . . . . . . 50553 1 94 . 1 1 108 108 SER N N 15 0.2332 0.06037 . . . . . . . 50553 1 95 . 1 1 109 109 PHE N N 15 0.1179 0.08179 . . . . . . . 50553 1 96 . 1 1 110 110 GLY N N 15 -2.57702 -0.46466 . . . . . . . 50553 1 97 . 1 1 111 111 ALA N N 15 0.59333 -1.37718 . . . . . . . 50553 1 98 . 1 1 112 112 LYS N N 15 0.29799 0.01845 . . . . . . . 50553 1 99 . 1 1 114 114 ASP N N 15 0.32876 0.64376 . . . . . . . 50553 1 100 . 1 1 115 115 GLU N N 15 0.27491 0.02499 . . . . . . . 50553 1 101 . 1 1 116 116 ASN N N 15 0.02853 -9.00E-04 . . . . . . . 50553 1 102 . 1 1 117 117 LYS N N 15 0.20745 0.054 . . . . . . . 50553 1 103 . 1 1 120 120 ALA N N 15 0.3158 -0.54657 . . . . . . . 50553 1 104 . 1 1 121 121 THR N N 15 0.00271 -5.11E-06 . . . . . . . 50553 1 105 . 1 1 122 122 SER N N 15 0.03794 -4.98E-04 . . . . . . . 50553 1 106 . 1 1 123 123 LYS N N 15 0.26788 0.02409 . . . . . . . 50553 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_2 _Heteronucl_T2_list.Entry_ID 50553 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Name 15N _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units ms _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 2 'T1/R1 relaxation' . . . 50553 2 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $software_1 . . 50553 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 ASN N N 15 -20.43084 -0.42905 . . . . . . . 50553 2 2 . 1 1 4 4 LYS N N 15 0.26543 0.01268 . . . . . . . 50553 2 3 . 1 1 5 5 THR N N 15 0.20233 0.05876 . . . . . . . 50553 2 4 . 1 1 6 6 THR N N 15 -0.18972 -0.77023 . . . . . . . 50553 2 5 . 1 1 7 7 ASN N N 15 0.22626 0.01393 . . . . . . . 50553 2 6 . 1 1 8 8 THR N N 15 0.22941 0.01891 . . . . . . . 50553 2 7 . 1 1 9 9 THR N N 15 0.000833 -3.44E-09 . . . . . . . 50553 2 8 . 1 1 11 11 SER N N 15 0.34866 1.35421 . . . . . . . 50553 2 9 . 1 1 12 12 PHE N N 15 0.27273 0.01921 . . . . . . . 50553 2 10 . 1 1 13 13 SER N N 15 0.2264 0.00964 . . . . . . . 50553 2 11 . 1 1 14 14 PHE N N 15 0.01226 0.0068 . . . . . . . 50553 2 12 . 1 1 15 15 GLY N N 15 0.16777 0.11675 . . . . . . . 50553 2 13 . 1 1 16 16 ALA N N 15 0.22542 0.00778 . . . . . . . 50553 2 14 . 1 1 17 17 LYS N N 15 0.2513 0.01094 . . . . . . . 50553 2 15 . 1 1 18 18 SER N N 15 0.26139 0.16637 . . . . . . . 50553 2 16 . 1 1 19 19 ASP N N 15 0.25957 0.02157 . . . . . . . 50553 2 17 . 1 1 20 20 GLU N N 15 0.27476 0.01051 . . . . . . . 50553 2 18 . 1 1 21 21 ASN N N 15 0.21885 0.02088 . . . . . . . 50553 2 19 . 1 1 22 22 LYS N N 15 0.27273 0.01921 . . . . . . . 50553 2 20 . 1 1 23 23 ALA N N 15 0.32522 0.18523 . . . . . . . 50553 2 21 . 1 1 24 24 GLY N N 15 0.41456 1.33049 . . . . . . . 50553 2 22 . 1 1 25 25 ALA N N 15 0.22542 0.00778 . . . . . . . 50553 2 23 . 1 1 26 26 THR N N 15 0.28354 0.49075 . . . . . . . 50553 2 24 . 1 1 27 27 SER N N 15 0.01733 -0.02307 . . . . . . . 50553 2 25 . 1 1 28 28 LYS N N 15 0.24259 0.00953 . . . . . . . 50553 2 26 . 1 1 30 30 ALA N N 15 0.2262 0.00322 . . . . . . . 50553 2 27 . 1 1 31 31 PHE N N 15 0.59495 -2.27787 . . . . . . . 50553 2 28 . 1 1 32 32 SER N N 15 0.2264 0.00964 . . . . . . . 50553 2 29 . 1 1 33 33 PHE N N 15 0.01226 0.0068 . . . . . . . 50553 2 30 . 1 1 34 34 GLY N N 15 0.16777 0.11675 . . . . . . . 50553 2 31 . 1 1 35 35 ALA N N 15 0.22545 0.00317 . . . . . . . 50553 2 32 . 1 1 36 36 LYS N N 15 0.25684 0.00934 . . . . . . . 50553 2 33 . 1 1 38 38 GLU N N 15 0.26486 0.0136 . . . . . . . 50553 2 34 . 1 1 39 39 GLU N N 15 0.27241 0.20949 . . . . . . . 50553 2 35 . 1 1 40 40 LYS N N 15 0.19432 0.00617 . . . . . . . 50553 2 36 . 1 1 41 41 LYS N N 15 0.22916 0.00893 . . . . . . . 50553 2 37 . 1 1 42 42 ASP N N 15 0.25781 0.01917 . . . . . . . 50553 2 38 . 1 1 43 43 ASP N N 15 0.27019 0.00891 . . . . . . . 50553 2 39 . 1 1 44 44 ASN N N 15 0.21885 0.02088 . . . . . . . 50553 2 40 . 1 1 45 45 SER N N 15 0.34866 1.35421 . . . . . . . 50553 2 41 . 1 1 46 46 SER N N 15 0.13162 0.15373 . . . . . . . 50553 2 42 . 1 1 47 47 LYS N N 15 0.22155 0.0811 . . . . . . . 50553 2 43 . 1 1 49 49 ALA N N 15 0.2262 0.00322 . . . . . . . 50553 2 44 . 1 1 50 50 PHE N N 15 0.59495 -2.27787 . . . . . . . 50553 2 45 . 1 1 51 51 SER N N 15 0.2264 0.00964 . . . . . . . 50553 2 46 . 1 1 52 52 PHE N N 15 0.01226 0.0068 . . . . . . . 50553 2 47 . 1 1 53 53 GLY N N 15 0.16777 0.11675 . . . . . . . 50553 2 48 . 1 1 54 54 ALA N N 15 0.22542 0.00778 . . . . . . . 50553 2 49 . 1 1 55 55 LYS N N 15 0.2513 0.01094 . . . . . . . 50553 2 50 . 1 1 56 56 SER N N 15 0.51675 0.46278 . . . . . . . 50553 2 51 . 1 1 57 57 ASN N N 15 0.4193 -0.2021 . . . . . . . 50553 2 52 . 1 1 58 58 GLU N N 15 0.20933 0.02867 . . . . . . . 50553 2 53 . 1 1 59 59 ASP N N 15 0.27019 0.00891 . . . . . . . 50553 2 54 . 1 1 60 60 LYS N N 15 0.28856 0.01541 . . . . . . . 50553 2 55 . 1 1 61 61 GLN N N 15 0.22626 0.01393 . . . . . . . 50553 2 56 . 1 1 62 62 ASP N N 15 0.26543 0.01268 . . . . . . . 50553 2 57 . 1 1 63 63 GLY N N 15 0.30469 -0.32276 . . . . . . . 50553 2 58 . 1 1 64 64 THR N N 15 0.20381 0.00666 . . . . . . . 50553 2 59 . 1 1 65 65 ALA N N 15 0.24087 0.00732 . . . . . . . 50553 2 60 . 1 1 66 66 LYS N N 15 0.25684 0.00934 . . . . . . . 50553 2 61 . 1 1 68 68 ALA N N 15 0.2262 0.00322 . . . . . . . 50553 2 62 . 1 1 69 69 PHE N N 15 0.59495 -2.27787 . . . . . . . 50553 2 63 . 1 1 70 70 SER N N 15 0.2264 0.00964 . . . . . . . 50553 2 64 . 1 1 71 71 PHE N N 15 0.01226 0.0068 . . . . . . . 50553 2 65 . 1 1 72 72 GLY N N 15 0.16777 0.11675 . . . . . . . 50553 2 66 . 1 1 73 73 ALA N N 15 0.22545 0.00317 . . . . . . . 50553 2 67 . 1 1 74 74 LYS N N 15 0.25684 0.00934 . . . . . . . 50553 2 68 . 1 1 78 78 LYS N N 15 0.24199 0.00841 . . . . . . . 50553 2 69 . 1 1 79 79 ASN N N 15 -0.49782 -0.27987 . . . . . . . 50553 2 70 . 1 1 80 80 ASN N N 15 -0.49782 -0.27987 . . . . . . . 50553 2 71 . 1 1 81 81 ASN N N 15 0.61634 4.0459 . . . . . . . 50553 2 72 . 1 1 82 82 GLU N N 15 0.28521 0.01398 . . . . . . . 50553 2 73 . 1 1 83 83 THR N N 15 0.22941 0.01891 . . . . . . . 50553 2 74 . 1 1 84 84 SER N N 15 0.28945 0.2483 . . . . . . . 50553 2 75 . 1 1 85 85 LYS N N 15 0.23014 0.01186 . . . . . . . 50553 2 76 . 1 1 87 87 ALA N N 15 0.2262 0.00322 . . . . . . . 50553 2 77 . 1 1 88 88 PHE N N 15 0.59495 -2.27787 . . . . . . . 50553 2 78 . 1 1 89 89 SER N N 15 0.2264 0.00964 . . . . . . . 50553 2 79 . 1 1 90 90 PHE N N 15 0.01226 0.0068 . . . . . . . 50553 2 80 . 1 1 91 91 GLY N N 15 0.16777 0.11675 . . . . . . . 50553 2 81 . 1 1 92 92 ALA N N 15 0.22542 0.00778 . . . . . . . 50553 2 82 . 1 1 93 93 LYS N N 15 0.2513 0.01094 . . . . . . . 50553 2 83 . 1 1 94 94 SER N N 15 0.26139 0.16637 . . . . . . . 50553 2 84 . 1 1 95 95 ASP N N 15 0.2378 0.01009 . . . . . . . 50553 2 85 . 1 1 96 96 GLU N N 15 0.27481 0.00886 . . . . . . . 50553 2 86 . 1 1 97 97 LYS N N 15 0.21514 0.06462 . . . . . . . 50553 2 87 . 1 1 98 98 LYS N N 15 0.23587 0.17502 . . . . . . . 50553 2 88 . 1 1 99 99 ASP N N 15 0.26543 0.01268 . . . . . . . 50553 2 89 . 1 1 100 100 GLY N N 15 0.15063 0.06243 . . . . . . . 50553 2 90 . 1 1 101 101 ASP N N 15 0.28319 0.02011 . . . . . . . 50553 2 91 . 1 1 102 102 ALA N N 15 0.24309 0.0037 . . . . . . . 50553 2 92 . 1 1 103 103 SER N N 15 0.22292 0.04107 . . . . . . . 50553 2 93 . 1 1 104 104 LYS N N 15 0.22545 0.00317 . . . . . . . 50553 2 94 . 1 1 106 106 ALA N N 15 0.2262 0.00322 . . . . . . . 50553 2 95 . 1 1 107 107 PHE N N 15 0.59495 -2.27787 . . . . . . . 50553 2 96 . 1 1 108 108 SER N N 15 0.2264 0.00964 . . . . . . . 50553 2 97 . 1 1 109 109 PHE N N 15 0.01226 0.0068 . . . . . . . 50553 2 98 . 1 1 110 110 GLY N N 15 0.16777 0.11675 . . . . . . . 50553 2 99 . 1 1 111 111 ALA N N 15 0.22545 0.00317 . . . . . . . 50553 2 100 . 1 1 112 112 LYS N N 15 0.25684 0.00934 . . . . . . . 50553 2 101 . 1 1 114 114 ASP N N 15 0.2265 0.00978 . . . . . . . 50553 2 102 . 1 1 115 115 GLU N N 15 0.27019 0.00891 . . . . . . . 50553 2 103 . 1 1 116 116 ASN N N 15 0.55247 1.11663 . . . . . . . 50553 2 104 . 1 1 117 117 LYS N N 15 0.27273 0.01921 . . . . . . . 50553 2 105 . 1 1 119 119 SER N N 15 0.20233 0.05876 . . . . . . . 50553 2 106 . 1 1 120 120 ALA N N 15 0.19335 -0.03669 . . . . . . . 50553 2 107 . 1 1 121 121 THR N N 15 0.6063 26.99904 . . . . . . . 50553 2 108 . 1 1 122 122 SER N N 15 0.01733 -0.02307 . . . . . . . 50553 2 109 . 1 1 123 123 LYS N N 15 0.24259 0.00953 . . . . . . . 50553 2 stop_ save_