############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_22C _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_22C _Heteronucl_NOE_list.Entry_ID 4970 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'not reported' _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID . . 1 $sample_one . 4970 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 4 4 LEU H . . . 1 1 4 4 LEU N . . 0.096874 0.023625 . . . . . . . . . . 4970 1 2 . 1 1 5 5 THR H . . . 1 1 5 5 THR N . . 0.615117 0.045755 . . . . . . . . . . 4970 1 3 . 1 1 6 6 GLU H . . . 1 1 6 6 GLU N . . 0.707607 0.041585 . . . . . . . . . . 4970 1 4 . 1 1 7 7 GLU H . . . 1 1 7 7 GLU N . . 0.737742 0.037421 . . . . . . . . . . 4970 1 5 . 1 1 8 8 GLN H . . . 1 1 8 8 GLN N . . 0.736831 0.039227 . . . . . . . . . . 4970 1 6 . 1 1 11 11 GLU H . . . 1 1 11 11 GLU N . . 0.767349 0.039450 . . . . . . . . . . 4970 1 7 . 1 1 13 13 LYS H . . . 1 1 13 13 LYS N . . 0.774630 0.049158 . . . . . . . . . . 4970 1 8 . 1 1 16 16 PHE H . . . 1 1 16 16 PHE N . . 0.815762 0.057303 . . . . . . . . . . 4970 1 9 . 1 1 18 18 LEU H . . . 1 1 18 18 LEU N . . 0.787322 0.043738 . . . . . . . . . . 4970 1 10 . 1 1 19 19 PHE H . . . 1 1 19 19 PHE N . . 0.787025 0.054757 . . . . . . . . . . 4970 1 11 . 1 1 20 20 ASP H . . . 1 1 20 20 ASP N . . 0.788865 0.052799 . . . . . . . . . . 4970 1 12 . 1 1 21 21 LYS H . . . 1 1 21 21 LYS N . . 0.784673 0.042365 . . . . . . . . . . 4970 1 13 . 1 1 23 23 GLY H . . . 1 1 23 23 GLY N . . 0.817293 0.031393 . . . . . . . . . . 4970 1 14 . 1 1 24 24 ASP H . . . 1 1 24 24 ASP N . . 0.811372 0.031792 . . . . . . . . . . 4970 1 15 . 1 1 26 26 THR H . . . 1 1 26 26 THR N . . 0.823287 0.035512 . . . . . . . . . . 4970 1 16 . 1 1 27 27 ILE H . . . 1 1 27 27 ILE N . . 0.786955 0.068994 . . . . . . . . . . 4970 1 17 . 1 1 28 28 THR H . . . 1 1 28 28 THR N . . 0.817086 0.070255 . . . . . . . . . . 4970 1 18 . 1 1 29 29 THR H . . . 1 1 29 29 THR N . . 0.802064 0.052462 . . . . . . . . . . 4970 1 19 . 1 1 31 31 GLU H . . . 1 1 31 31 GLU N . . 0.782744 0.054067 . . . . . . . . . . 4970 1 20 . 1 1 33 33 GLY H . . . 1 1 33 33 GLY N . . 0.799788 0.058473 . . . . . . . . . . 4970 1 21 . 1 1 34 34 THR H . . . 1 1 34 34 THR N . . 0.780437 0.039243 . . . . . . . . . . 4970 1 22 . 1 1 36 36 MET H . . . 1 1 36 36 MET N . . 0.782533 0.052983 . . . . . . . . . . 4970 1 23 . 1 1 37 37 ARG H . . . 1 1 37 37 ARG N . . 0.807620 0.053656 . . . . . . . . . . 4970 1 24 . 1 1 39 39 LEU H . . . 1 1 39 39 LEU N . . 0.774908 0.042638 . . . . . . . . . . 4970 1 25 . 1 1 40 40 GLY H . . . 1 1 40 40 GLY N . . 0.717391 0.036040 . . . . . . . . . . 4970 1 26 . 1 1 42 42 ASN H . . . 1 1 42 42 ASN N . . 0.662789 0.058037 . . . . . . . . . . 4970 1 27 . 1 1 44 44 THR H . . . 1 1 44 44 THR N . . 0.768802 0.053915 . . . . . . . . . . 4970 1 28 . 1 1 45 45 GLU H . . . 1 1 45 45 GLU N . . 0.778910 0.043858 . . . . . . . . . . 4970 1 29 . 1 1 47 47 GLU H . . . 1 1 47 47 GLU N . . 0.780758 0.036487 . . . . . . . . . . 4970 1 30 . 1 1 49 49 GLN H . . . 1 1 49 49 GLN N . . 0.750428 0.038707 . . . . . . . . . . 4970 1 31 . 1 1 52 52 ILE H . . . 1 1 52 52 ILE N . . 0.763909 0.048229 . . . . . . . . . . 4970 1 32 . 1 1 53 53 ASN H . . . 1 1 53 53 ASN N . . 0.759157 0.039964 . . . . . . . . . . 4970 1 33 . 1 1 54 54 GLU H . . . 1 1 54 54 GLU N . . 0.705993 0.030196 . . . . . . . . . . 4970 1 34 . 1 1 55 55 VAL H . . . 1 1 55 55 VAL N . . 0.745615 0.050387 . . . . . . . . . . 4970 1 35 . 1 1 57 57 ALA H . . . 1 1 57 57 ALA N . . 0.616654 0.033224 . . . . . . . . . . 4970 1 36 . 1 1 60 60 ASP H . . . 1 1 60 60 ASP N . . 0.796292 0.028701 . . . . . . . . . . 4970 1 37 . 1 1 62 62 THR H . . . 1 1 62 62 THR N . . 0.825501 0.028959 . . . . . . . . . . 4970 1 38 . 1 1 63 63 ILE H . . . 1 1 63 63 ILE N . . 0.775201 0.068277 . . . . . . . . . . 4970 1 39 . 1 1 64 64 ASP H . . . 1 1 64 64 ASP N . . 0.799787 0.060571 . . . . . . . . . . 4970 1 40 . 1 1 65 65 PHE H . . . 1 1 65 65 PHE N . . 0.800112 0.074985 . . . . . . . . . . 4970 1 41 . 1 1 67 67 GLU H . . . 1 1 67 67 GLU N . . 0.818352 0.089924 . . . . . . . . . . 4970 1 42 . 1 1 69 69 LEU H . . . 1 1 69 69 LEU N . . 0.786299 0.058541 . . . . . . . . . . 4970 1 43 . 1 1 70 70 THR H . . . 1 1 70 70 THR N . . 0.785369 0.040830 . . . . . . . . . . 4970 1 44 . 1 1 71 71 MET H . . . 1 1 71 71 MET N . . 0.776612 0.047784 . . . . . . . . . . 4970 1 45 . 1 1 74 74 ARG H . . . 1 1 74 74 ARG N . . 0.642694 0.049236 . . . . . . . . . . 4970 1 46 . 1 1 75 75 LYS H . . . 1 1 75 75 LYS N . . 0.573414 0.051572 . . . . . . . . . . 4970 1 47 . 1 1 77 77 LYS H . . . 1 1 77 77 LYS N . . 0.603125 0.065378 . . . . . . . . . . 4970 1 48 . 1 1 80 80 ASP H . . . 1 1 80 80 ASP N . . 0.719040 0.058004 . . . . . . . . . . 4970 1 49 . 1 1 81 81 SER H . . . 1 1 81 81 SER N . . 0.699594 0.041178 . . . . . . . . . . 4970 1 50 . 1 1 87 87 GLU H . . . 1 1 87 87 GLU N . . 0.776531 0.049121 . . . . . . . . . . 4970 1 51 . 1 1 89 89 PHE H . . . 1 1 89 89 PHE N . . 0.842915 0.050745 . . . . . . . . . . 4970 1 52 . 1 1 91 91 VAL H . . . 1 1 91 91 VAL N . . 0.819281 0.041952 . . . . . . . . . . 4970 1 53 . 1 1 92 92 PHE H . . . 1 1 92 92 PHE N . . 0.844587 0.058802 . . . . . . . . . . 4970 1 54 . 1 1 93 93 ASP H . . . 1 1 93 93 ASP N . . 0.779970 0.043155 . . . . . . . . . . 4970 1 55 . 1 1 94 94 LYS H . . . 1 1 94 94 LYS N . . 0.767491 0.038584 . . . . . . . . . . 4970 1 56 . 1 1 96 96 GLY H . . . 1 1 96 96 GLY N . . 0.782614 0.033724 . . . . . . . . . . 4970 1 57 . 1 1 100 100 ILE H . . . 1 1 100 100 ILE N . . 0.777135 0.056569 . . . . . . . . . . 4970 1 58 . 1 1 101 101 SER H . . . 1 1 101 101 SER N . . 0.790540 0.066046 . . . . . . . . . . 4970 1 59 . 1 1 102 102 ALA H . . . 1 1 102 102 ALA N . . 0.848416 0.048214 . . . . . . . . . . 4970 1 60 . 1 1 105 105 LEU H . . . 1 1 105 105 LEU N . . 0.789617 0.048993 . . . . . . . . . . 4970 1 61 . 1 1 106 106 ARG H . . . 1 1 106 106 ARG N . . 0.772722 0.049636 . . . . . . . . . . 4970 1 62 . 1 1 109 109 MET H . . . 1 1 109 109 MET N . . 0.759067 0.048813 . . . . . . . . . . 4970 1 63 . 1 1 110 110 THR H . . . 1 1 110 110 THR N . . 0.803098 0.052758 . . . . . . . . . . 4970 1 64 . 1 1 111 111 ASN H . . . 1 1 111 111 ASN N . . 0.791395 0.044029 . . . . . . . . . . 4970 1 65 . 1 1 112 112 LEU H . . . 1 1 112 112 LEU N . . 0.732722 0.041007 . . . . . . . . . . 4970 1 66 . 1 1 113 113 GLY H . . . 1 1 113 113 GLY N . . 0.746673 0.043747 . . . . . . . . . . 4970 1 67 . 1 1 115 115 LYS H . . . 1 1 115 115 LYS N . . 0.375838 0.028407 . . . . . . . . . . 4970 1 68 . 1 1 116 116 LEU H . . . 1 1 116 116 LEU N . . 0.287636 0.023495 . . . . . . . . . . 4970 1 69 . 1 1 117 117 THR H . . . 1 1 117 117 THR N . . 0.632516 0.054108 . . . . . . . . . . 4970 1 70 . 1 1 118 118 ASP H . . . 1 1 118 118 ASP N . . 0.806684 0.049200 . . . . . . . . . . 4970 1 71 . 1 1 120 120 GLU H . . . 1 1 120 120 GLU N . . 0.746346 0.040195 . . . . . . . . . . 4970 1 72 . 1 1 123 123 GLU H . . . 1 1 123 123 GLU N . . 0.746925 0.035164 . . . . . . . . . . 4970 1 73 . 1 1 125 125 ILE H . . . 1 1 125 125 ILE N . . 0.796991 0.054674 . . . . . . . . . . 4970 1 74 . 1 1 126 126 ARG H . . . 1 1 126 126 ARG N . . 0.775742 0.043994 . . . . . . . . . . 4970 1 75 . 1 1 127 127 GLU H . . . 1 1 127 127 GLU N . . 0.762911 0.038064 . . . . . . . . . . 4970 1 76 . 1 1 128 128 ALA H . . . 1 1 128 128 ALA N . . 0.764589 0.042126 . . . . . . . . . . 4970 1 77 . 1 1 129 129 ASP H . . . 1 1 129 129 ASP N . . 0.776371 0.038382 . . . . . . . . . . 4970 1 78 . 1 1 130 130 ILE H . . . 1 1 130 130 ILE N . . 0.633136 0.040959 . . . . . . . . . . 4970 1 79 . 1 1 131 131 ASP H . . . 1 1 131 131 ASP N . . 0.811018 0.038092 . . . . . . . . . . 4970 1 80 . 1 1 133 133 ASP H . . . 1 1 133 133 ASP N . . 0.803934 0.030298 . . . . . . . . . . 4970 1 81 . 1 1 134 134 GLY H . . . 1 1 134 134 GLY N . . 0.774951 0.038965 . . . . . . . . . . 4970 1 82 . 1 1 135 135 GLN H . . . 1 1 135 135 GLN N . . 0.768949 0.029347 . . . . . . . . . . 4970 1 83 . 1 1 136 136 VAL H . . . 1 1 136 136 VAL N . . 0.782341 0.055852 . . . . . . . . . . 4970 1 84 . 1 1 137 137 ASN H . . . 1 1 137 137 ASN N . . 0.794373 0.058339 . . . . . . . . . . 4970 1 85 . 1 1 139 139 GLU H . . . 1 1 139 139 GLU N . . 0.833845 0.033204 . . . . . . . . . . 4970 1 86 . 1 1 143 143 GLN H . . . 1 1 143 143 GLN N . . 0.768214 0.036672 . . . . . . . . . . 4970 1 87 . 1 1 144 144 MET H . . . 1 1 144 144 MET N . . 0.798399 0.043024 . . . . . . . . . . 4970 1 88 . 1 1 145 145 MET H . . . 1 1 145 145 MET N . . 0.772209 0.050667 . . . . . . . . . . 4970 1 89 . 1 1 146 146 THR H . . . 1 1 146 146 THR N . . 0.689765 0.037619 . . . . . . . . . . 4970 1 90 . 1 1 147 147 ALA H . . . 1 1 147 147 ALA N . . 0.444625 0.023884 . . . . . . . . . . 4970 1 91 . 1 1 148 148 LYS H . . . 1 1 148 148 LYS N . . 0.098175 0.012226 . . . . . . . . . . 4970 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_35C _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_35C _Heteronucl_NOE_list.Entry_ID 4970 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 2 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type . _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID . . 1 $sample_one . 4970 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 4 4 LEU H . . . 1 1 4 4 LEU N . . 0.104953 0.021449 . . . . . . . . . . 4970 2 2 . 1 1 5 5 THR H . . . 1 1 5 5 THR N . . 0.659044 0.029264 . . . . . . . . . . 4970 2 3 . 1 1 6 6 GLU H . . . 1 1 6 6 GLU N . . 0.725173 0.034175 . . . . . . . . . . 4970 2 4 . 1 1 7 7 GLU H . . . 1 1 7 7 GLU N . . 0.734617 0.029699 . . . . . . . . . . 4970 2 5 . 1 1 8 8 GLN H . . . 1 1 8 8 GLN N . . 0.735387 0.026469 . . . . . . . . . . 4970 2 6 . 1 1 9 9 ILE H . . . 1 1 9 9 ILE N . . 0.725907 0.030640 . . . . . . . . . . 4970 2 7 . 1 1 11 11 GLU H . . . 1 1 11 11 GLU N . . 0.788960 0.024987 . . . . . . . . . . 4970 2 8 . 1 1 12 12 PHE H . . . 1 1 12 12 PHE N . . 0.785223 0.029641 . . . . . . . . . . 4970 2 9 . 1 1 13 13 LYS H . . . 1 1 13 13 LYS N . . 0.803265 0.031387 . . . . . . . . . . 4970 2 10 . 1 1 15 15 ALA H . . . 1 1 15 15 ALA N . . 0.768352 0.027586 . . . . . . . . . . 4970 2 11 . 1 1 16 16 PHE H . . . 1 1 16 16 PHE N . . 0.778733 0.033157 . . . . . . . . . . 4970 2 12 . 1 1 18 18 LEU H . . . 1 1 18 18 LEU N . . 0.802743 0.027429 . . . . . . . . . . 4970 2 13 . 1 1 19 19 PHE H . . . 1 1 19 19 PHE N . . 0.784164 0.032977 . . . . . . . . . . 4970 2 14 . 1 1 20 20 ASP H . . . 1 1 20 20 ASP N . . 0.766354 0.030581 . . . . . . . . . . 4970 2 15 . 1 1 21 21 LYS H . . . 1 1 21 21 LYS N . . 0.749426 0.026216 . . . . . . . . . . 4970 2 16 . 1 1 23 23 GLY H . . . 1 1 23 23 GLY N . . 0.814275 0.022185 . . . . . . . . . . 4970 2 17 . 1 1 24 24 ASP H . . . 1 1 24 24 ASP N . . 0.797381 0.022445 . . . . . . . . . . 4970 2 18 . 1 1 26 26 THR H . . . 1 1 26 26 THR N . . 0.793302 0.024807 . . . . . . . . . . 4970 2 19 . 1 1 27 27 ILE H . . . 1 1 27 27 ILE N . . 0.772852 0.039409 . . . . . . . . . . 4970 2 20 . 1 1 28 28 THR H . . . 1 1 28 28 THR N . . 0.753661 0.041605 . . . . . . . . . . 4970 2 21 . 1 1 29 29 THR H . . . 1 1 29 29 THR N . . 0.807313 0.035123 . . . . . . . . . . 4970 2 22 . 1 1 30 30 LYS H . . . 1 1 30 30 LYS N . . 0.848592 0.034025 . . . . . . . . . . 4970 2 23 . 1 1 31 31 GLU H . . . 1 1 31 31 GLU N . . 0.774899 0.033926 . . . . . . . . . . 4970 2 24 . 1 1 32 32 LEU H . . . 1 1 32 32 LEU N . . 0.803680 0.032659 . . . . . . . . . . 4970 2 25 . 1 1 33 33 GLY H . . . 1 1 33 33 GLY N . . 0.808318 0.036650 . . . . . . . . . . 4970 2 26 . 1 1 36 36 MET H . . . 1 1 36 36 MET N . . 0.801618 0.032171 . . . . . . . . . . 4970 2 27 . 1 1 37 37 ARG H . . . 1 1 37 37 ARG N . . 0.782519 0.033138 . . . . . . . . . . 4970 2 28 . 1 1 39 39 LEU H . . . 1 1 39 39 LEU N . . 0.740398 0.027027 . . . . . . . . . . 4970 2 29 . 1 1 40 40 GLY H . . . 1 1 40 40 GLY N . . 0.710063 0.025320 . . . . . . . . . . 4970 2 30 . 1 1 42 42 ASN H . . . 1 1 42 42 ASN N . . 0.642753 0.089040 . . . . . . . . . . 4970 2 31 . 1 1 44 44 THR H . . . 1 1 44 44 THR N . . 0.783710 0.034274 . . . . . . . . . . 4970 2 32 . 1 1 45 45 GLU H . . . 1 1 45 45 GLU N . . 0.830068 0.035637 . . . . . . . . . . 4970 2 33 . 1 1 47 47 GLU H . . . 1 1 47 47 GLU N . . 0.755494 0.025904 . . . . . . . . . . 4970 2 34 . 1 1 49 49 GLN H . . . 1 1 49 49 GLN N . . 0.776013 0.027748 . . . . . . . . . . 4970 2 35 . 1 1 51 51 MET H . . . 1 1 51 51 MET N . . 0.793287 0.026572 . . . . . . . . . . 4970 2 36 . 1 1 52 52 ILE H . . . 1 1 52 52 ILE N . . 0.771936 0.028717 . . . . . . . . . . 4970 2 37 . 1 1 53 53 ASN H . . . 1 1 53 53 ASN N . . 0.767911 0.027468 . . . . . . . . . . 4970 2 38 . 1 1 54 54 GLU H . . . 1 1 54 54 GLU N . . 0.736953 0.020958 . . . . . . . . . . 4970 2 39 . 1 1 55 55 VAL H . . . 1 1 55 55 VAL N . . 0.771073 0.033421 . . . . . . . . . . 4970 2 40 . 1 1 57 57 ALA H . . . 1 1 57 57 ALA N . . 0.667218 0.024605 . . . . . . . . . . 4970 2 41 . 1 1 60 60 ASP H . . . 1 1 60 60 ASP N . . 0.789651 0.021480 . . . . . . . . . . 4970 2 42 . 1 1 62 62 THR H . . . 1 1 62 62 THR N . . 0.794697 0.021501 . . . . . . . . . . 4970 2 43 . 1 1 63 63 ILE H . . . 1 1 63 63 ILE N . . 0.773812 0.042029 . . . . . . . . . . 4970 2 44 . 1 1 64 64 ASP H . . . 1 1 64 64 ASP N . . 0.788772 0.039946 . . . . . . . . . . 4970 2 45 . 1 1 65 65 PHE H . . . 1 1 65 65 PHE N . . 0.823570 0.041560 . . . . . . . . . . 4970 2 46 . 1 1 67 67 GLU H . . . 1 1 67 67 GLU N . . 0.796830 0.043403 . . . . . . . . . . 4970 2 47 . 1 1 68 68 PHE H . . . 1 1 68 68 PHE N . . 0.758486 0.037209 . . . . . . . . . . 4970 2 48 . 1 1 69 69 LEU H . . . 1 1 69 69 LEU N . . 0.790383 0.035676 . . . . . . . . . . 4970 2 49 . 1 1 70 70 THR H . . . 1 1 70 70 THR N . . 0.790219 0.026828 . . . . . . . . . . 4970 2 50 . 1 1 71 71 MET H . . . 1 1 71 71 MET N . . 0.793393 0.030457 . . . . . . . . . . 4970 2 51 . 1 1 74 74 ARG H . . . 1 1 74 74 ARG N . . 0.705933 0.027613 . . . . . . . . . . 4970 2 52 . 1 1 75 75 LYS H . . . 1 1 75 75 LYS N . . 0.585240 0.044602 . . . . . . . . . . 4970 2 53 . 1 1 77 77 LYS H . . . 1 1 77 77 LYS N . . 0.634025 0.058013 . . . . . . . . . . 4970 2 54 . 1 1 80 80 ASP H . . . 1 1 80 80 ASP N . . 0.645322 0.037955 . . . . . . . . . . 4970 2 55 . 1 1 81 81 SER H . . . 1 1 81 81 SER N . . 0.718623 0.044050 . . . . . . . . . . 4970 2 56 . 1 1 85 85 ILE H . . . 1 1 85 85 ILE N . . 0.754672 0.030897 . . . . . . . . . . 4970 2 57 . 1 1 86 86 ARG H . . . 1 1 86 86 ARG N . . 0.764493 0.031089 . . . . . . . . . . 4970 2 58 . 1 1 87 87 GLU H . . . 1 1 87 87 GLU N . . 0.767158 0.032545 . . . . . . . . . . 4970 2 59 . 1 1 89 89 PHE H . . . 1 1 89 89 PHE N . . 0.794250 0.032487 . . . . . . . . . . 4970 2 60 . 1 1 91 91 VAL H . . . 1 1 91 91 VAL N . . 0.783710 0.025105 . . . . . . . . . . 4970 2 61 . 1 1 92 92 PHE H . . . 1 1 92 92 PHE N . . 0.813767 0.034679 . . . . . . . . . . 4970 2 62 . 1 1 93 93 ASP H . . . 1 1 93 93 ASP N . . 0.762611 0.027491 . . . . . . . . . . 4970 2 63 . 1 1 94 94 LYS H . . . 1 1 94 94 LYS N . . 0.761742 0.023857 . . . . . . . . . . 4970 2 64 . 1 1 96 96 GLY H . . . 1 1 96 96 GLY N . . 0.785717 0.022619 . . . . . . . . . . 4970 2 65 . 1 1 97 97 ASN H . . . 1 1 97 97 ASN N . . 0.812697 0.022167 . . . . . . . . . . 4970 2 66 . 1 1 100 100 ILE H . . . 1 1 100 100 ILE N . . 0.800311 0.034081 . . . . . . . . . . 4970 2 67 . 1 1 101 101 SER H . . . 1 1 101 101 SER N . . 0.830839 0.041881 . . . . . . . . . . 4970 2 68 . 1 1 102 102 ALA H . . . 1 1 102 102 ALA N . . 0.802882 0.029380 . . . . . . . . . . 4970 2 69 . 1 1 103 103 ALA H . . . 1 1 103 103 ALA N . . 0.834630 0.027025 . . . . . . . . . . 4970 2 70 . 1 1 105 105 LEU H . . . 1 1 105 105 LEU N . . 0.787334 0.030933 . . . . . . . . . . 4970 2 71 . 1 1 106 106 ARG H . . . 1 1 106 106 ARG N . . 0.814082 0.032207 . . . . . . . . . . 4970 2 72 . 1 1 109 109 MET H . . . 1 1 109 109 MET N . . 0.744994 0.030829 . . . . . . . . . . 4970 2 73 . 1 1 110 110 THR H . . . 1 1 110 110 THR N . . 0.810429 0.033694 . . . . . . . . . . 4970 2 74 . 1 1 111 111 ASN H . . . 1 1 111 111 ASN N . . 0.796771 0.028878 . . . . . . . . . . 4970 2 75 . 1 1 112 112 LEU H . . . 1 1 112 112 LEU N . . 0.752308 0.027734 . . . . . . . . . . 4970 2 76 . 1 1 113 113 GLY H . . . 1 1 113 113 GLY N . . 0.759631 0.029814 . . . . . . . . . . 4970 2 77 . 1 1 114 114 GLU H . . . 1 1 114 114 GLU N . . 0.749864 0.024393 . . . . . . . . . . 4970 2 78 . 1 1 115 115 LYS H . . . 1 1 115 115 LYS N . . 0.422813 0.026974 . . . . . . . . . . 4970 2 79 . 1 1 116 116 LEU H . . . 1 1 116 116 LEU N . . 0.323765 0.018650 . . . . . . . . . . 4970 2 80 . 1 1 117 117 THR H . . . 1 1 117 117 THR N . . 0.641120 0.034923 . . . . . . . . . . 4970 2 81 . 1 1 118 118 ASP H . . . 1 1 118 118 ASP N . . 0.781778 0.048363 . . . . . . . . . . 4970 2 82 . 1 1 119 119 GLU H . . . 1 1 119 119 GLU N . . 0.796061 0.028175 . . . . . . . . . . 4970 2 83 . 1 1 120 120 GLU H . . . 1 1 120 120 GLU N . . 0.751644 0.025688 . . . . . . . . . . 4970 2 84 . 1 1 123 123 GLU H . . . 1 1 123 123 GLU N . . 0.758540 0.023896 . . . . . . . . . . 4970 2 85 . 1 1 125 125 ILE H . . . 1 1 125 125 ILE N . . 0.753257 0.032171 . . . . . . . . . . 4970 2 86 . 1 1 126 126 ARG H . . . 1 1 126 126 ARG N . . 0.745681 0.027433 . . . . . . . . . . 4970 2 87 . 1 1 127 127 GLU H . . . 1 1 127 127 GLU N . . 0.822423 0.026952 . . . . . . . . . . 4970 2 88 . 1 1 128 128 ALA H . . . 1 1 128 128 ALA N . . 0.769023 0.027556 . . . . . . . . . . 4970 2 89 . 1 1 130 130 ILE H . . . 1 1 130 130 ILE N . . 0.679486 0.029127 . . . . . . . . . . 4970 2 90 . 1 1 131 131 ASP H . . . 1 1 131 131 ASP N . . 0.812307 0.026354 . . . . . . . . . . 4970 2 91 . 1 1 133 133 ASP H . . . 1 1 133 133 ASP N . . 0.808983 0.022898 . . . . . . . . . . 4970 2 92 . 1 1 134 134 GLY H . . . 1 1 134 134 GLY N . . 0.809451 0.027141 . . . . . . . . . . 4970 2 93 . 1 1 135 135 GLN H . . . 1 1 135 135 GLN N . . 0.803610 0.021577 . . . . . . . . . . 4970 2 94 . 1 1 136 136 VAL H . . . 1 1 136 136 VAL N . . 0.776585 0.033627 . . . . . . . . . . 4970 2 95 . 1 1 137 137 ASN H . . . 1 1 137 137 ASN N . . 0.806114 0.035669 . . . . . . . . . . 4970 2 96 . 1 1 138 138 TYR H . . . 1 1 138 138 TYR N . . 0.803809 0.030107 . . . . . . . . . . 4970 2 97 . 1 1 139 139 GLU H . . . 1 1 139 139 GLU N . . 0.783149 0.021423 . . . . . . . . . . 4970 2 98 . 1 1 141 141 PHE H . . . 1 1 141 141 PHE N . . 0.810320 0.034081 . . . . . . . . . . 4970 2 99 . 1 1 142 142 VAL H . . . 1 1 142 142 VAL N . . 0.790172 0.026470 . . . . . . . . . . 4970 2 100 . 1 1 143 143 GLN H . . . 1 1 143 143 GLN N . . 0.786984 0.023817 . . . . . . . . . . 4970 2 101 . 1 1 144 144 MET H . . . 1 1 144 144 MET N . . 0.769536 0.026075 . . . . . . . . . . 4970 2 102 . 1 1 145 145 MET H . . . 1 1 145 145 MET N . . 0.782238 0.029903 . . . . . . . . . . 4970 2 103 . 1 1 146 146 THR H . . . 1 1 146 146 THR N . . 0.742481 0.027138 . . . . . . . . . . 4970 2 104 . 1 1 147 147 ALA H . . . 1 1 147 147 ALA N . . 0.499965 0.022111 . . . . . . . . . . 4970 2 105 . 1 1 148 148 LYS H . . . 1 1 148 148 LYS N . . -0.018884 0.011416 . . . . . . . . . . 4970 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_47C _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_47C _Heteronucl_NOE_list.Entry_ID 4970 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Sample_condition_list_ID 3 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_3 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type . _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID . . 1 $sample_one . 4970 3 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 4 4 LEU H . . . 1 1 4 4 LEU N . . 0.113573 0.030951 . . . . . . . . . . 4970 3 2 . 1 1 5 5 THR H . . . 1 1 5 5 THR N . . 0.664351 0.024772 . . . . . . . . . . 4970 3 3 . 1 1 6 6 GLU H . . . 1 1 6 6 GLU N . . 0.783834 0.050067 . . . . . . . . . . 4970 3 4 . 1 1 7 7 GLU H . . . 1 1 7 7 GLU N . . 0.766153 0.033260 . . . . . . . . . . 4970 3 5 . 1 1 8 8 GLN H . . . 1 1 8 8 GLN N . . 0.713166 0.019732 . . . . . . . . . . 4970 3 6 . 1 1 9 9 ILE H . . . 1 1 9 9 ILE N . . 0.745391 0.021626 . . . . . . . . . . 4970 3 7 . 1 1 12 12 PHE H . . . 1 1 12 12 PHE N . . 0.736035 0.021656 . . . . . . . . . . 4970 3 8 . 1 1 13 13 LYS H . . . 1 1 13 13 LYS N . . 0.738729 0.021548 . . . . . . . . . . 4970 3 9 . 1 1 15 15 ALA H . . . 1 1 15 15 ALA N . . 0.718083 0.021034 . . . . . . . . . . 4970 3 10 . 1 1 16 16 PHE H . . . 1 1 16 16 PHE N . . 0.759740 0.023010 . . . . . . . . . . 4970 3 11 . 1 1 18 18 LEU H . . . 1 1 18 18 LEU N . . 0.783343 0.018791 . . . . . . . . . . 4970 3 12 . 1 1 19 19 PHE H . . . 1 1 19 19 PHE N . . 0.738243 0.024246 . . . . . . . . . . 4970 3 13 . 1 1 21 21 LYS H . . . 1 1 21 21 LYS N . . 0.706821 0.018326 . . . . . . . . . . 4970 3 14 . 1 1 23 23 GLY H . . . 1 1 23 23 GLY N . . 0.743644 0.016014 . . . . . . . . . . 4970 3 15 . 1 1 25 25 GLY H . . . 1 1 25 25 GLY N . . 0.808926 0.024030 . . . . . . . . . . 4970 3 16 . 1 1 26 26 THR H . . . 1 1 26 26 THR N . . 0.822365 0.020834 . . . . . . . . . . 4970 3 17 . 1 1 27 27 ILE H . . . 1 1 27 27 ILE N . . 0.769175 0.028723 . . . . . . . . . . 4970 3 18 . 1 1 28 28 THR H . . . 1 1 28 28 THR N . . 0.776708 0.030778 . . . . . . . . . . 4970 3 19 . 1 1 29 29 THR H . . . 1 1 29 29 THR N . . 0.792988 0.030448 . . . . . . . . . . 4970 3 20 . 1 1 30 30 LYS H . . . 1 1 30 30 LYS N . . 0.864775 0.053943 . . . . . . . . . . 4970 3 21 . 1 1 31 31 GLU H . . . 1 1 31 31 GLU N . . 0.792266 0.023300 . . . . . . . . . . 4970 3 22 . 1 1 32 32 LEU H . . . 1 1 32 32 LEU N . . 0.812675 0.023862 . . . . . . . . . . 4970 3 23 . 1 1 33 33 GLY H . . . 1 1 33 33 GLY N . . 0.751891 0.025108 . . . . . . . . . . 4970 3 24 . 1 1 34 34 THR H . . . 1 1 34 34 THR N . . 0.774492 0.019045 . . . . . . . . . . 4970 3 25 . 1 1 37 37 ARG H . . . 1 1 37 37 ARG N . . 0.799984 0.024495 . . . . . . . . . . 4970 3 26 . 1 1 39 39 LEU H . . . 1 1 39 39 LEU N . . 0.724596 0.020316 . . . . . . . . . . 4970 3 27 . 1 1 40 40 GLY H . . . 1 1 40 40 GLY N . . 0.753512 0.022285 . . . . . . . . . . 4970 3 28 . 1 1 44 44 THR H . . . 1 1 44 44 THR N . . 0.761659 0.024220 . . . . . . . . . . 4970 3 29 . 1 1 45 45 GLU H . . . 1 1 45 45 GLU N . . 0.825346 0.044316 . . . . . . . . . . 4970 3 30 . 1 1 47 47 GLU H . . . 1 1 47 47 GLU N . . 0.736943 0.018371 . . . . . . . . . . 4970 3 31 . 1 1 49 49 GLN H . . . 1 1 49 49 GLN N . . 0.774279 0.018609 . . . . . . . . . . 4970 3 32 . 1 1 51 51 MET H . . . 1 1 51 51 MET N . . 0.735328 0.019215 . . . . . . . . . . 4970 3 33 . 1 1 52 52 ILE H . . . 1 1 52 52 ILE N . . 0.731316 0.019665 . . . . . . . . . . 4970 3 34 . 1 1 55 55 VAL H . . . 1 1 55 55 VAL N . . 0.737953 0.025813 . . . . . . . . . . 4970 3 35 . 1 1 57 57 ALA H . . . 1 1 57 57 ALA N . . 0.744747 0.019305 . . . . . . . . . . 4970 3 36 . 1 1 59 59 GLY H . . . 1 1 59 59 GLY N . . 0.796790 0.017370 . . . . . . . . . . 4970 3 37 . 1 1 60 60 ASP H . . . 1 1 60 60 ASP N . . 0.825721 0.018823 . . . . . . . . . . 4970 3 38 . 1 1 61 61 GLY H . . . 1 1 61 61 GLY N . . 0.757119 0.021469 . . . . . . . . . . 4970 3 39 . 1 1 62 62 THR H . . . 1 1 62 62 THR N . . 0.800822 0.018044 . . . . . . . . . . 4970 3 40 . 1 1 63 63 ILE H . . . 1 1 63 63 ILE N . . 0.766368 0.030081 . . . . . . . . . . 4970 3 41 . 1 1 64 64 ASP H . . . 1 1 64 64 ASP N . . 0.784747 0.029743 . . . . . . . . . . 4970 3 42 . 1 1 65 65 PHE H . . . 1 1 65 65 PHE N . . 0.813346 0.028985 . . . . . . . . . . 4970 3 43 . 1 1 67 67 GLU H . . . 1 1 67 67 GLU N . . 0.772207 0.027101 . . . . . . . . . . 4970 3 44 . 1 1 69 69 LEU H . . . 1 1 69 69 LEU N . . 0.772350 0.026314 . . . . . . . . . . 4970 3 45 . 1 1 70 70 THR H . . . 1 1 70 70 THR N . . 0.793870 0.019860 . . . . . . . . . . 4970 3 46 . 1 1 71 71 MET H . . . 1 1 71 71 MET N . . 0.776455 0.022383 . . . . . . . . . . 4970 3 47 . 1 1 74 74 ARG H . . . 1 1 74 74 ARG N . . 0.653150 0.021584 . . . . . . . . . . 4970 3 48 . 1 1 75 75 LYS H . . . 1 1 75 75 LYS N . . 0.561235 0.079971 . . . . . . . . . . 4970 3 49 . 1 1 85 85 ILE H . . . 1 1 85 85 ILE N . . 0.729802 0.023558 . . . . . . . . . . 4970 3 50 . 1 1 87 87 GLU H . . . 1 1 87 87 GLU N . . 0.776362 0.023243 . . . . . . . . . . 4970 3 51 . 1 1 89 89 PHE H . . . 1 1 89 89 PHE N . . 0.779054 0.022735 . . . . . . . . . . 4970 3 52 . 1 1 91 91 VAL H . . . 1 1 91 91 VAL N . . 0.766740 0.019422 . . . . . . . . . . 4970 3 53 . 1 1 92 92 PHE H . . . 1 1 92 92 PHE N . . 0.784135 0.024228 . . . . . . . . . . 4970 3 54 . 1 1 93 93 ASP H . . . 1 1 93 93 ASP N . . 0.778227 0.020916 . . . . . . . . . . 4970 3 55 . 1 1 94 94 LYS H . . . 1 1 94 94 LYS N . . 0.719786 0.016905 . . . . . . . . . . 4970 3 56 . 1 1 96 96 GLY H . . . 1 1 96 96 GLY N . . 0.792080 0.017432 . . . . . . . . . . 4970 3 57 . 1 1 97 97 ASN H . . . 1 1 97 97 ASN N . . 0.779920 0.018325 . . . . . . . . . . 4970 3 58 . 1 1 98 98 GLY H . . . 1 1 98 98 GLY N . . 0.807251 0.024679 . . . . . . . . . . 4970 3 59 . 1 1 100 100 ILE H . . . 1 1 100 100 ILE N . . 0.777944 0.028002 . . . . . . . . . . 4970 3 60 . 1 1 101 101 SER H . . . 1 1 101 101 SER N . . 0.823903 0.030377 . . . . . . . . . . 4970 3 61 . 1 1 102 102 ALA H . . . 1 1 102 102 ALA N . . 0.764640 0.021003 . . . . . . . . . . 4970 3 62 . 1 1 106 106 ARG H . . . 1 1 106 106 ARG N . . 0.821665 0.021647 . . . . . . . . . . 4970 3 63 . 1 1 109 109 MET H . . . 1 1 109 109 MET N . . 0.777855 0.022138 . . . . . . . . . . 4970 3 64 . 1 1 111 111 ASN H . . . 1 1 111 111 ASN N . . 0.777304 0.020909 . . . . . . . . . . 4970 3 65 . 1 1 112 112 LEU H . . . 1 1 112 112 LEU N . . 0.744934 0.020915 . . . . . . . . . . 4970 3 66 . 1 1 113 113 GLY H . . . 1 1 113 113 GLY N . . 0.732645 0.022858 . . . . . . . . . . 4970 3 67 . 1 1 114 114 GLU H . . . 1 1 114 114 GLU N . . 0.742791 0.020457 . . . . . . . . . . 4970 3 68 . 1 1 115 115 LYS H . . . 1 1 115 115 LYS N . . 0.456528 0.035312 . . . . . . . . . . 4970 3 69 . 1 1 116 116 LEU H . . . 1 1 116 116 LEU N . . 0.366674 0.017234 . . . . . . . . . . 4970 3 70 . 1 1 117 117 THR H . . . 1 1 117 117 THR N . . 0.611387 0.025854 . . . . . . . . . . 4970 3 71 . 1 1 119 119 GLU H . . . 1 1 119 119 GLU N . . 0.825283 0.028953 . . . . . . . . . . 4970 3 72 . 1 1 120 120 GLU H . . . 1 1 120 120 GLU N . . 0.735274 0.017874 . . . . . . . . . . 4970 3 73 . 1 1 123 123 GLU H . . . 1 1 123 123 GLU N . . 0.728699 0.017268 . . . . . . . . . . 4970 3 74 . 1 1 125 125 ILE H . . . 1 1 125 125 ILE N . . 0.786132 0.023389 . . . . . . . . . . 4970 3 75 . 1 1 126 126 ARG H . . . 1 1 126 126 ARG N . . 0.745857 0.020428 . . . . . . . . . . 4970 3 76 . 1 1 127 127 GLU H . . . 1 1 127 127 GLU N . . 0.742970 0.018579 . . . . . . . . . . 4970 3 77 . 1 1 128 128 ALA H . . . 1 1 128 128 ALA N . . 0.778563 0.020243 . . . . . . . . . . 4970 3 78 . 1 1 129 129 ASP H . . . 1 1 129 129 ASP N . . 0.767206 0.018383 . . . . . . . . . . 4970 3 79 . 1 1 130 130 ILE H . . . 1 1 130 130 ILE N . . 0.696071 0.020780 . . . . . . . . . . 4970 3 80 . 1 1 132 132 GLY H . . . 1 1 132 132 GLY N . . 0.766202 0.015827 . . . . . . . . . . 4970 3 81 . 1 1 133 133 ASP H . . . 1 1 133 133 ASP N . . 0.795658 0.017625 . . . . . . . . . . 4970 3 82 . 1 1 134 134 GLY H . . . 1 1 134 134 GLY N . . 0.795213 0.020232 . . . . . . . . . . 4970 3 83 . 1 1 135 135 GLN H . . . 1 1 135 135 GLN N . . 0.740044 0.018195 . . . . . . . . . . 4970 3 84 . 1 1 136 136 VAL H . . . 1 1 136 136 VAL N . . 0.779685 0.024774 . . . . . . . . . . 4970 3 85 . 1 1 137 137 ASN H . . . 1 1 137 137 ASN N . . 0.760620 0.026236 . . . . . . . . . . 4970 3 86 . 1 1 138 138 TYR H . . . 1 1 138 138 TYR N . . 0.814129 0.022563 . . . . . . . . . . 4970 3 87 . 1 1 142 142 VAL H . . . 1 1 142 142 VAL N . . 0.778961 0.020690 . . . . . . . . . . 4970 3 88 . 1 1 143 143 GLN H . . . 1 1 143 143 GLN N . . 0.768184 0.017196 . . . . . . . . . . 4970 3 89 . 1 1 144 144 MET H . . . 1 1 144 144 MET N . . 0.729218 0.019430 . . . . . . . . . . 4970 3 90 . 1 1 145 145 MET H . . . 1 1 145 145 MET N . . 0.731045 0.022581 . . . . . . . . . . 4970 3 91 . 1 1 146 146 THR H . . . 1 1 146 146 THR N . . 0.729409 0.021412 . . . . . . . . . . 4970 3 92 . 1 1 147 147 ALA H . . . 1 1 147 147 ALA N . . 0.546860 0.028275 . . . . . . . . . . 4970 3 93 . 1 1 148 148 LYS H . . . 1 1 148 148 LYS N . . 0.073516 0.011736 . . . . . . . . . . 4970 3 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_60C _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_60C _Heteronucl_NOE_list.Entry_ID 4970 _Heteronucl_NOE_list.ID 4 _Heteronucl_NOE_list.Sample_condition_list_ID 4 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_4 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type . _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID . . 1 $sample_one . 4970 4 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 4 4 LEU H . . . 1 1 4 4 LEU N . . 0.127484 0.073901 . . . . . . . . . . 4970 4 2 . 1 1 5 5 THR H . . . 1 1 5 5 THR N . . 0.671591 0.032139 . . . . . . . . . . 4970 4 3 . 1 1 7 7 GLU H . . . 1 1 7 7 GLU N . . 0.788237 0.060600 . . . . . . . . . . 4970 4 4 . 1 1 8 8 GLN H . . . 1 1 8 8 GLN N . . 0.710079 0.021509 . . . . . . . . . . 4970 4 5 . 1 1 9 9 ILE H . . . 1 1 9 9 ILE N . . 0.721854 0.022435 . . . . . . . . . . 4970 4 6 . 1 1 11 11 GLU H . . . 1 1 11 11 GLU N . . 0.698206 0.019233 . . . . . . . . . . 4970 4 7 . 1 1 12 12 PHE H . . . 1 1 12 12 PHE N . . 0.698947 0.025878 . . . . . . . . . . 4970 4 8 . 1 1 15 15 ALA H . . . 1 1 15 15 ALA N . . 0.713604 0.021842 . . . . . . . . . . 4970 4 9 . 1 1 16 16 PHE H . . . 1 1 16 16 PHE N . . 0.729854 0.022468 . . . . . . . . . . 4970 4 10 . 1 1 19 19 PHE H . . . 1 1 19 19 PHE N . . 0.706129 0.026392 . . . . . . . . . . 4970 4 11 . 1 1 21 21 LYS H . . . 1 1 21 21 LYS N . . 0.752976 0.020861 . . . . . . . . . . 4970 4 12 . 1 1 23 23 GLY H . . . 1 1 23 23 GLY N . . 0.755769 0.016578 . . . . . . . . . . 4970 4 13 . 1 1 25 25 GLY H . . . 1 1 25 25 GLY N . . 0.788975 0.024328 . . . . . . . . . . 4970 4 14 . 1 1 26 26 THR H . . . 1 1 26 26 THR N . . 0.787459 0.021731 . . . . . . . . . . 4970 4 15 . 1 1 27 27 ILE H . . . 1 1 27 27 ILE N . . 0.743926 0.028819 . . . . . . . . . . 4970 4 16 . 1 1 28 28 THR H . . . 1 1 28 28 THR N . . 0.777840 0.030103 . . . . . . . . . . 4970 4 17 . 1 1 29 29 THR H . . . 1 1 29 29 THR N . . 0.818800 0.053171 . . . . . . . . . . 4970 4 18 . 1 1 31 31 GLU H . . . 1 1 31 31 GLU N . . 0.755799 0.021734 . . . . . . . . . . 4970 4 19 . 1 1 32 32 LEU H . . . 1 1 32 32 LEU N . . 0.766233 0.023247 . . . . . . . . . . 4970 4 20 . 1 1 33 33 GLY H . . . 1 1 33 33 GLY N . . 0.722558 0.025884 . . . . . . . . . . 4970 4 21 . 1 1 37 37 ARG H . . . 1 1 37 37 ARG N . . 0.783986 0.027303 . . . . . . . . . . 4970 4 22 . 1 1 39 39 LEU H . . . 1 1 39 39 LEU N . . 0.774984 0.022266 . . . . . . . . . . 4970 4 23 . 1 1 40 40 GLY H . . . 1 1 40 40 GLY N . . 0.776850 0.025943 . . . . . . . . . . 4970 4 24 . 1 1 44 44 THR H . . . 1 1 44 44 THR N . . 0.729516 0.025755 . . . . . . . . . . 4970 4 25 . 1 1 47 47 GLU H . . . 1 1 47 47 GLU N . . 0.721310 0.018097 . . . . . . . . . . 4970 4 26 . 1 1 49 49 GLN H . . . 1 1 49 49 GLN N . . 0.776415 0.020360 . . . . . . . . . . 4970 4 27 . 1 1 51 51 MET H . . . 1 1 51 51 MET N . . 0.714741 0.020147 . . . . . . . . . . 4970 4 28 . 1 1 52 52 ILE H . . . 1 1 52 52 ILE N . . 0.730811 0.020756 . . . . . . . . . . 4970 4 29 . 1 1 55 55 VAL H . . . 1 1 55 55 VAL N . . 0.674105 0.025761 . . . . . . . . . . 4970 4 30 . 1 1 57 57 ALA H . . . 1 1 57 57 ALA N . . 0.688795 0.020426 . . . . . . . . . . 4970 4 31 . 1 1 59 59 GLY H . . . 1 1 59 59 GLY N . . 0.767180 0.018891 . . . . . . . . . . 4970 4 32 . 1 1 60 60 ASP H . . . 1 1 60 60 ASP N . . 0.824747 0.021322 . . . . . . . . . . 4970 4 33 . 1 1 61 61 GLY H . . . 1 1 61 61 GLY N . . 0.762994 0.023760 . . . . . . . . . . 4970 4 34 . 1 1 62 62 THR H . . . 1 1 62 62 THR N . . 0.820607 0.019701 . . . . . . . . . . 4970 4 35 . 1 1 63 63 ILE H . . . 1 1 63 63 ILE N . . 0.764146 0.032970 . . . . . . . . . . 4970 4 36 . 1 1 64 64 ASP H . . . 1 1 64 64 ASP N . . 0.738430 0.030615 . . . . . . . . . . 4970 4 37 . 1 1 65 65 PHE H . . . 1 1 65 65 PHE N . . 0.806238 0.033538 . . . . . . . . . . 4970 4 38 . 1 1 67 67 GLU H . . . 1 1 67 67 GLU N . . 0.751025 0.028629 . . . . . . . . . . 4970 4 39 . 1 1 69 69 LEU H . . . 1 1 69 69 LEU N . . 0.705218 0.028471 . . . . . . . . . . 4970 4 40 . 1 1 70 70 THR H . . . 1 1 70 70 THR N . . 0.800866 0.023568 . . . . . . . . . . 4970 4 41 . 1 1 74 74 ARG H . . . 1 1 74 74 ARG N . . 0.758429 0.034331 . . . . . . . . . . 4970 4 42 . 1 1 87 87 GLU H . . . 1 1 87 87 GLU N . . 0.728686 0.027415 . . . . . . . . . . 4970 4 43 . 1 1 89 89 PHE H . . . 1 1 89 89 PHE N . . 0.719738 0.022445 . . . . . . . . . . 4970 4 44 . 1 1 91 91 VAL H . . . 1 1 91 91 VAL N . . 0.750704 0.020838 . . . . . . . . . . 4970 4 45 . 1 1 92 92 PHE H . . . 1 1 92 92 PHE N . . 0.729427 0.025583 . . . . . . . . . . 4970 4 46 . 1 1 93 93 ASP H . . . 1 1 93 93 ASP N . . 0.733875 0.022501 . . . . . . . . . . 4970 4 47 . 1 1 94 94 LYS H . . . 1 1 94 94 LYS N . . 0.680406 0.018013 . . . . . . . . . . 4970 4 48 . 1 1 96 96 GLY H . . . 1 1 96 96 GLY N . . 0.793278 0.018235 . . . . . . . . . . 4970 4 49 . 1 1 97 97 ASN H . . . 1 1 97 97 ASN N . . 0.752265 0.018846 . . . . . . . . . . 4970 4 50 . 1 1 98 98 GLY H . . . 1 1 98 98 GLY N . . 0.781970 0.024754 . . . . . . . . . . 4970 4 51 . 1 1 100 100 ILE H . . . 1 1 100 100 ILE N . . 0.772329 0.027710 . . . . . . . . . . 4970 4 52 . 1 1 102 102 ALA H . . . 1 1 102 102 ALA N . . 0.790814 0.024558 . . . . . . . . . . 4970 4 53 . 1 1 106 106 ARG H . . . 1 1 106 106 ARG N . . 0.765553 0.021450 . . . . . . . . . . 4970 4 54 . 1 1 109 109 MET H . . . 1 1 109 109 MET N . . 0.789489 0.022528 . . . . . . . . . . 4970 4 55 . 1 1 111 111 ASN H . . . 1 1 111 111 ASN N . . 0.724634 0.022131 . . . . . . . . . . 4970 4 56 . 1 1 112 112 LEU H . . . 1 1 112 112 LEU N . . 0.769583 0.021975 . . . . . . . . . . 4970 4 57 . 1 1 113 113 GLY H . . . 1 1 113 113 GLY N . . 0.678609 0.025054 . . . . . . . . . . 4970 4 58 . 1 1 114 114 GLU H . . . 1 1 114 114 GLU N . . 0.671007 0.021712 . . . . . . . . . . 4970 4 59 . 1 1 115 115 LYS H . . . 1 1 115 115 LYS N . . 0.465153 0.069899 . . . . . . . . . . 4970 4 60 . 1 1 116 116 LEU H . . . 1 1 116 116 LEU N . . 0.384056 0.025631 . . . . . . . . . . 4970 4 61 . 1 1 117 117 THR H . . . 1 1 117 117 THR N . . 0.572585 0.027423 . . . . . . . . . . 4970 4 62 . 1 1 120 120 GLU H . . . 1 1 120 120 GLU N . . 0.718530 0.018049 . . . . . . . . . . 4970 4 63 . 1 1 123 123 GLU H . . . 1 1 123 123 GLU N . . 0.728528 0.017684 . . . . . . . . . . 4970 4 64 . 1 1 125 125 ILE H . . . 1 1 125 125 ILE N . . 0.740750 0.027341 . . . . . . . . . . 4970 4 65 . 1 1 126 126 ARG H . . . 1 1 126 126 ARG N . . 0.783801 0.023143 . . . . . . . . . . 4970 4 66 . 1 1 127 127 GLU H . . . 1 1 127 127 GLU N . . 0.668666 0.021320 . . . . . . . . . . 4970 4 67 . 1 1 128 128 ALA H . . . 1 1 128 128 ALA N . . 0.738146 0.022434 . . . . . . . . . . 4970 4 68 . 1 1 129 129 ASP H . . . 1 1 129 129 ASP N . . 0.702860 0.019315 . . . . . . . . . . 4970 4 69 . 1 1 130 130 ILE H . . . 1 1 130 130 ILE N . . 0.688957 0.021415 . . . . . . . . . . 4970 4 70 . 1 1 132 132 GLY H . . . 1 1 132 132 GLY N . . 0.735071 0.016883 . . . . . . . . . . 4970 4 71 . 1 1 133 133 ASP H . . . 1 1 133 133 ASP N . . 0.748228 0.018438 . . . . . . . . . . 4970 4 72 . 1 1 134 134 GLY H . . . 1 1 134 134 GLY N . . 0.751583 0.021004 . . . . . . . . . . 4970 4 73 . 1 1 135 135 GLN H . . . 1 1 135 135 GLN N . . 0.717533 0.018428 . . . . . . . . . . 4970 4 74 . 1 1 136 136 VAL H . . . 1 1 136 136 VAL N . . 0.728783 0.023890 . . . . . . . . . . 4970 4 75 . 1 1 137 137 ASN H . . . 1 1 137 137 ASN N . . 0.771554 0.025919 . . . . . . . . . . 4970 4 76 . 1 1 138 138 TYR H . . . 1 1 138 138 TYR N . . 0.787812 0.022284 . . . . . . . . . . 4970 4 77 . 1 1 142 142 VAL H . . . 1 1 142 142 VAL N . . 0.734129 0.020678 . . . . . . . . . . 4970 4 78 . 1 1 143 143 GLN H . . . 1 1 143 143 GLN N . . 0.697193 0.017820 . . . . . . . . . . 4970 4 79 . 1 1 144 144 MET H . . . 1 1 144 144 MET N . . 0.707971 0.020790 . . . . . . . . . . 4970 4 80 . 1 1 145 145 MET H . . . 1 1 145 145 MET N . . 0.687279 0.022607 . . . . . . . . . . 4970 4 81 . 1 1 146 146 THR H . . . 1 1 146 146 THR N . . 0.659069 0.022420 . . . . . . . . . . 4970 4 82 . 1 1 147 147 ALA H . . . 1 1 147 147 ALA N . . 0.514505 0.063662 . . . . . . . . . . 4970 4 83 . 1 1 148 148 LYS H . . . 1 1 148 148 LYS N . . -0.054166 0.018105 . . . . . . . . . . 4970 4 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_73C _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_73C _Heteronucl_NOE_list.Entry_ID 4970 _Heteronucl_NOE_list.ID 5 _Heteronucl_NOE_list.Sample_condition_list_ID 5 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_5 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type . _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID . . 1 $sample_one . 4970 5 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 8 8 GLN H . . . 1 1 8 8 GLN N . . 0.746070 0.029690 . . . . . . . . . . 4970 5 2 . 1 1 9 9 ILE H . . . 1 1 9 9 ILE N . . 0.758880 0.024100 . . . . . . . . . . 4970 5 3 . 1 1 11 11 GLU H . . . 1 1 11 11 GLU N . . 0.789990 0.024530 . . . . . . . . . . 4970 5 4 . 1 1 12 12 PHE H . . . 1 1 12 12 PHE N . . 0.747900 0.026170 . . . . . . . . . . 4970 5 5 . 1 1 15 15 ALA H . . . 1 1 15 15 ALA N . . 0.738540 0.024350 . . . . . . . . . . 4970 5 6 . 1 1 16 16 PHE H . . . 1 1 16 16 PHE N . . 0.758580 0.019750 . . . . . . . . . . 4970 5 7 . 1 1 19 19 PHE H . . . 1 1 19 19 PHE N . . 0.757670 0.026530 . . . . . . . . . . 4970 5 8 . 1 1 21 21 LYS H . . . 1 1 21 21 LYS N . . 0.778650 0.020690 . . . . . . . . . . 4970 5 9 . 1 1 23 23 GLY H . . . 1 1 23 23 GLY N . . 0.771620 0.016250 . . . . . . . . . . 4970 5 10 . 1 1 25 25 GLY H . . . 1 1 25 25 GLY N . . 0.794780 0.022080 . . . . . . . . . . 4970 5 11 . 1 1 27 27 ILE H . . . 1 1 27 27 ILE N . . 0.764800 0.030180 . . . . . . . . . . 4970 5 12 . 1 1 28 28 THR H . . . 1 1 28 28 THR N . . 0.793060 0.024050 . . . . . . . . . . 4970 5 13 . 1 1 32 32 LEU H . . . 1 1 32 32 LEU N . . 0.737090 0.021240 . . . . . . . . . . 4970 5 14 . 1 1 33 33 GLY H . . . 1 1 33 33 GLY N . . 0.818250 0.024060 . . . . . . . . . . 4970 5 15 . 1 1 39 39 LEU H . . . 1 1 39 39 LEU N . . 0.803320 0.020850 . . . . . . . . . . 4970 5 16 . 1 1 40 40 GLY H . . . 1 1 40 40 GLY N . . 0.837270 0.031440 . . . . . . . . . . 4970 5 17 . 1 1 44 44 THR H . . . 1 1 44 44 THR N . . 0.765820 0.022580 . . . . . . . . . . 4970 5 18 . 1 1 47 47 GLU H . . . 1 1 47 47 GLU N . . 0.733360 0.016980 . . . . . . . . . . 4970 5 19 . 1 1 49 49 GLN H . . . 1 1 49 49 GLN N . . 0.778890 0.017330 . . . . . . . . . . 4970 5 20 . 1 1 52 52 ILE H . . . 1 1 52 52 ILE N . . 0.738930 0.022370 . . . . . . . . . . 4970 5 21 . 1 1 55 55 VAL H . . . 1 1 55 55 VAL N . . 0.706020 0.023850 . . . . . . . . . . 4970 5 22 . 1 1 57 57 ALA H . . . 1 1 57 57 ALA N . . 0.680590 0.019430 . . . . . . . . . . 4970 5 23 . 1 1 59 59 GLY H . . . 1 1 59 59 GLY N . . 0.817100 0.018690 . . . . . . . . . . 4970 5 24 . 1 1 61 61 GLY H . . . 1 1 61 61 GLY N . . 0.784100 0.021720 . . . . . . . . . . 4970 5 25 . 1 1 62 62 THR H . . . 1 1 62 62 THR N . . 0.865050 0.020510 . . . . . . . . . . 4970 5 26 . 1 1 63 63 ILE H . . . 1 1 63 63 ILE N . . 0.773960 0.024240 . . . . . . . . . . 4970 5 27 . 1 1 64 64 ASP H . . . 1 1 64 64 ASP N . . 0.779760 0.031000 . . . . . . . . . . 4970 5 28 . 1 1 65 65 PHE H . . . 1 1 65 65 PHE N . . 0.824930 0.036310 . . . . . . . . . . 4970 5 29 . 1 1 67 67 GLU H . . . 1 1 67 67 GLU N . . 0.768370 0.032170 . . . . . . . . . . 4970 5 30 . 1 1 69 69 LEU H . . . 1 1 69 69 LEU N . . 0.745620 0.034120 . . . . . . . . . . 4970 5 31 . 1 1 70 70 THR H . . . 1 1 70 70 THR N . . 0.795490 0.028840 . . . . . . . . . . 4970 5 32 . 1 1 74 74 ARG H . . . 1 1 74 74 ARG N . . 0.750000 0.074580 . . . . . . . . . . 4970 5 33 . 1 1 89 89 PHE H . . . 1 1 89 89 PHE N . . 0.737140 0.021510 . . . . . . . . . . 4970 5 34 . 1 1 91 91 VAL H . . . 1 1 91 91 VAL N . . 0.797100 0.022350 . . . . . . . . . . 4970 5 35 . 1 1 92 92 PHE H . . . 1 1 92 92 PHE N . . 0.757370 0.026610 . . . . . . . . . . 4970 5 36 . 1 1 93 93 ASP H . . . 1 1 93 93 ASP N . . 0.763120 0.022220 . . . . . . . . . . 4970 5 37 . 1 1 94 94 LYS H . . . 1 1 94 94 LYS N . . 0.664480 0.019660 . . . . . . . . . . 4970 5 38 . 1 1 96 96 GLY H . . . 1 1 96 96 GLY N . . 0.817450 0.018540 . . . . . . . . . . 4970 5 39 . 1 1 97 97 ASN H . . . 1 1 97 97 ASN N . . 0.860210 0.016860 . . . . . . . . . . 4970 5 40 . 1 1 98 98 GLY H . . . 1 1 98 98 GLY N . . 0.754520 0.021180 . . . . . . . . . . 4970 5 41 . 1 1 100 100 ILE H . . . 1 1 100 100 ILE N . . 0.737060 0.027970 . . . . . . . . . . 4970 5 42 . 1 1 102 102 ALA H . . . 1 1 102 102 ALA N . . 0.864190 0.026590 . . . . . . . . . . 4970 5 43 . 1 1 106 106 ARG H . . . 1 1 106 106 ARG N . . 0.730860 0.018520 . . . . . . . . . . 4970 5 44 . 1 1 109 109 MET H . . . 1 1 109 109 MET N . . 0.759880 0.020940 . . . . . . . . . . 4970 5 45 . 1 1 111 111 ASN H . . . 1 1 111 111 ASN N . . 0.787110 0.024920 . . . . . . . . . . 4970 5 46 . 1 1 112 112 LEU H . . . 1 1 112 112 LEU N . . 0.805600 0.022630 . . . . . . . . . . 4970 5 47 . 1 1 113 113 GLY H . . . 1 1 113 113 GLY N . . 0.725300 0.029850 . . . . . . . . . . 4970 5 48 . 1 1 114 114 GLU H . . . 1 1 114 114 GLU N . . 0.699180 0.023900 . . . . . . . . . . 4970 5 49 . 1 1 116 116 LEU H . . . 1 1 116 116 LEU N . . 0.521890 0.036320 . . . . . . . . . . 4970 5 50 . 1 1 117 117 THR H . . . 1 1 117 117 THR N . . 0.683250 0.030280 . . . . . . . . . . 4970 5 51 . 1 1 120 120 GLU H . . . 1 1 120 120 GLU N . . 0.719450 0.018560 . . . . . . . . . . 4970 5 52 . 1 1 123 123 GLU H . . . 1 1 123 123 GLU N . . 0.791200 0.018220 . . . . . . . . . . 4970 5 53 . 1 1 125 125 ILE H . . . 1 1 125 125 ILE N . . 0.766530 0.032290 . . . . . . . . . . 4970 5 54 . 1 1 127 127 GLU H . . . 1 1 127 127 GLU N . . 0.670220 0.025140 . . . . . . . . . . 4970 5 55 . 1 1 128 128 ALA H . . . 1 1 128 128 ALA N . . 0.792160 0.026730 . . . . . . . . . . 4970 5 56 . 1 1 129 129 ASP H . . . 1 1 129 129 ASP N . . 0.726280 0.019540 . . . . . . . . . . 4970 5 57 . 1 1 130 130 ILE H . . . 1 1 130 130 ILE N . . 0.702620 0.017760 . . . . . . . . . . 4970 5 58 . 1 1 132 132 GLY H . . . 1 1 132 132 GLY N . . 0.748880 0.016030 . . . . . . . . . . 4970 5 59 . 1 1 133 133 ASP H . . . 1 1 133 133 ASP N . . 0.820230 0.015290 . . . . . . . . . . 4970 5 60 . 1 1 134 134 GLY H . . . 1 1 134 134 GLY N . . 0.756990 0.021250 . . . . . . . . . . 4970 5 61 . 1 1 135 135 GLN H . . . 1 1 135 135 GLN N . . 0.761910 0.017310 . . . . . . . . . . 4970 5 62 . 1 1 136 136 VAL H . . . 1 1 136 136 VAL N . . 0.781510 0.019020 . . . . . . . . . . 4970 5 63 . 1 1 137 137 ASN H . . . 1 1 137 137 ASN N . . 0.820740 0.030080 . . . . . . . . . . 4970 5 64 . 1 1 138 138 TYR H . . . 1 1 138 138 TYR N . . 0.788280 0.019690 . . . . . . . . . . 4970 5 65 . 1 1 142 142 VAL H . . . 1 1 142 142 VAL N . . 0.735450 0.018150 . . . . . . . . . . 4970 5 66 . 1 1 143 143 GLN H . . . 1 1 143 143 GLN N . . 0.739390 0.018390 . . . . . . . . . . 4970 5 67 . 1 1 144 144 MET H . . . 1 1 144 144 MET N . . 0.697140 0.021350 . . . . . . . . . . 4970 5 68 . 1 1 145 145 MET H . . . 1 1 145 145 MET N . . 0.674890 0.023800 . . . . . . . . . . 4970 5 69 . 1 1 146 146 THR H . . . 1 1 146 146 THR N . . 0.706600 0.026150 . . . . . . . . . . 4970 5 70 . 1 1 148 148 LYS H . . . 1 1 148 148 LYS N . . -0.213220 0.027350 . . . . . . . . . . 4970 5 stop_ save_