############################## # Heteronuclear NOE values # ############################## save_600.133_MHz_heteronuclear_NOE_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 600.133_MHz_heteronuclear_NOE_1 _Heteronucl_NOE_list.Entry_ID 26714 _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 600.133 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type height _Heteronucl_NOE_list.NOE_ref_val 0 _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 3 '600.133 MHz steady-state NOE' 1 $sample_1 . 26714 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $relax . . 26714 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 3 3 GLN N N 15 . 1 1 3 3 GLN H H 1 0.421732543389 0.0312130000871 . . . . . . . . . . 26714 1 2 . 1 1 4 4 ARG N N 15 . 1 1 4 4 ARG H H 1 0.817667007403 0.0416283381546 . . . . . . . . . . 26714 1 3 . 1 1 7 7 LYS N N 15 . 1 1 7 7 LYS H H 1 0.821968413082 0.0284492917411 . . . . . . . . . . 26714 1 4 . 1 1 10 10 VAL N N 15 . 1 1 10 10 VAL H H 1 0.799180742467 0.0253160174091 . . . . . . . . . . 26714 1 5 . 1 1 11 11 TYR N N 15 . 1 1 11 11 TYR H H 1 0.759693198939 0.0196729698775 . . . . . . . . . . 26714 1 6 . 1 1 12 12 SER N N 15 . 1 1 12 12 SER H H 1 0.826238276201 0.0303279986503 . . . . . . . . . . 26714 1 7 . 1 1 14 14 HIS N N 15 . 1 1 14 14 HIS H H 1 0.858287074409 0.0288893954745 . . . . . . . . . . 26714 1 8 . 1 1 17 17 GLU N N 15 . 1 1 17 17 GLU H H 1 0.737983242513 0.0339315717046 . . . . . . . . . . 26714 1 9 . 1 1 18 18 ASN N N 15 . 1 1 18 18 ASN H H 1 0.757085623805 0.0808485869916 . . . . . . . . . . 26714 1 10 . 1 1 19 19 GLY N N 15 . 1 1 19 19 GLY H H 1 0.878779826189 0.0426658564526 . . . . . . . . . . 26714 1 11 . 1 1 20 20 LYS N N 15 . 1 1 20 20 LYS H H 1 0.788278459999 0.0235302792193 . . . . . . . . . . 26714 1 12 . 1 1 21 21 SER N N 15 . 1 1 21 21 SER H H 1 0.832924856043 0.0241143762324 . . . . . . . . . . 26714 1 13 . 1 1 22 22 ASN N N 15 . 1 1 22 22 ASN H H 1 0.778595553886 0.0296521724216 . . . . . . . . . . 26714 1 14 . 1 1 23 23 PHE N N 15 . 1 1 23 23 PHE H H 1 0.844407222944 0.0336273492948 . . . . . . . . . . 26714 1 15 . 1 1 25 25 ASN N N 15 . 1 1 25 25 ASN H H 1 0.61108669615 0.0195305566253 . . . . . . . . . . 26714 1 16 . 1 1 26 26 CYS N N 15 . 1 1 26 26 CYS H H 1 0.804496025751 0.0215290437299 . . . . . . . . . . 26714 1 17 . 1 1 27 27 TYR N N 15 . 1 1 27 27 TYR H H 1 0.823381660735 0.0254134737856 . . . . . . . . . . 26714 1 18 . 1 1 28 28 VAL N N 15 . 1 1 28 28 VAL H H 1 0.81245299205 0.0290588688629 . . . . . . . . . . 26714 1 19 . 1 1 29 29 SER N N 15 . 1 1 29 29 SER H H 1 0.794421831099 0.0278984647311 . . . . . . . . . . 26714 1 20 . 1 1 30 30 GLY N N 15 . 1 1 30 30 GLY H H 1 0.754449855529 0.0507954243188 . . . . . . . . . . 26714 1 21 . 1 1 35 35 ASP N N 15 . 1 1 35 35 ASP H H 1 0.83992817487 0.0221280083748 . . . . . . . . . . 26714 1 22 . 1 1 36 36 ILE N N 15 . 1 1 36 36 ILE H H 1 0.82346610603 0.018611149571 . . . . . . . . . . 26714 1 23 . 1 1 40 40 LEU N N 15 . 1 1 40 40 LEU H H 1 0.79746922103 0.0273251295691 . . . . . . . . . . 26714 1 24 . 1 1 41 41 LEU N N 15 . 1 1 41 41 LEU H H 1 0.804286236876 0.0289297757968 . . . . . . . . . . 26714 1 25 . 1 1 43 43 ASN N N 15 . 1 1 43 43 ASN H H 1 0.65059866114 0.0155074701791 . . . . . . . . . . 26714 1 26 . 1 1 44 44 GLY N N 15 . 1 1 44 44 GLY H H 1 0.766088545635 0.0433209090047 . . . . . . . . . . 26714 1 27 . 1 1 45 45 GLU N N 15 . 1 1 45 45 GLU H H 1 0.805322370688 0.0194913051409 . . . . . . . . . . 26714 1 28 . 1 1 46 46 ARG N N 15 . 1 1 46 46 ARG H H 1 0.752239442732 0.038402255782 . . . . . . . . . . 26714 1 29 . 1 1 47 47 ILE N N 15 . 1 1 47 47 ILE H H 1 0.815103684891 0.0286721914143 . . . . . . . . . . 26714 1 30 . 1 1 48 48 GLU N N 15 . 1 1 48 48 GLU H H 1 0.855169866063 0.0352870664218 . . . . . . . . . . 26714 1 31 . 1 1 49 49 LYS N N 15 . 1 1 49 49 LYS H H 1 0.662204702835 0.0288107799583 . . . . . . . . . . 26714 1 32 . 1 1 50 50 VAL N N 15 . 1 1 50 50 VAL H H 1 0.767928025772 0.0226924018339 . . . . . . . . . . 26714 1 33 . 1 1 51 51 GLU N N 15 . 1 1 51 51 GLU H H 1 0.625050537156 0.0181531533027 . . . . . . . . . . 26714 1 34 . 1 1 52 52 HIS N N 15 . 1 1 52 52 HIS H H 1 0.79331426788 0.0226887636392 . . . . . . . . . . 26714 1 35 . 1 1 53 53 SER N N 15 . 1 1 53 53 SER H H 1 0.805245743014 0.0252781782447 . . . . . . . . . . 26714 1 36 . 1 1 61 61 TRP NE1 N 15 . 1 1 61 61 TRP HE1 H 1 0.727497872023 0.11185766622 . . . . . . . . . . 26714 1 37 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.814619009569 0.0232581628356 . . . . . . . . . . 26714 1 38 . 1 1 66 66 LEU N N 15 . 1 1 66 66 LEU H H 1 0.675146061542 0.0234333046342 . . . . . . . . . . 26714 1 39 . 1 1 67 67 TYR N N 15 . 1 1 67 67 TYR H H 1 0.838370930739 0.0245577987944 . . . . . . . . . . 26714 1 40 . 1 1 68 68 TYR N N 15 . 1 1 68 68 TYR H H 1 0.767153690076 0.0231272993323 . . . . . . . . . . 26714 1 41 . 1 1 69 69 THR N N 15 . 1 1 69 69 THR H H 1 0.809173538054 0.0226230659583 . . . . . . . . . . 26714 1 42 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.805154170968 0.0212578816442 . . . . . . . . . . 26714 1 43 . 1 1 72 72 THR N N 15 . 1 1 72 72 THR H H 1 0.89938941194 0.0390801894908 . . . . . . . . . . 26714 1 44 . 1 1 74 74 THR N N 15 . 1 1 74 74 THR H H 1 0.749100508437 0.0269339761508 . . . . . . . . . . 26714 1 45 . 1 1 75 75 GLU N N 15 . 1 1 75 75 GLU H H 1 0.944574542149 0.291000041766 . . . . . . . . . . 26714 1 46 . 1 1 76 76 LYS N N 15 . 1 1 76 76 LYS H H 1 0.774529625905 0.046859015471 . . . . . . . . . . 26714 1 47 . 1 1 77 77 ASP N N 15 . 1 1 77 77 ASP H H 1 0.760018335514 0.0240238691055 . . . . . . . . . . 26714 1 48 . 1 1 78 78 GLU N N 15 . 1 1 78 78 GLU H H 1 0.788787201123 0.0260974620139 . . . . . . . . . . 26714 1 49 . 1 1 79 79 TYR N N 15 . 1 1 79 79 TYR H H 1 0.748381242778 0.0280024465188 . . . . . . . . . . 26714 1 50 . 1 1 81 81 CYS N N 15 . 1 1 81 81 CYS H H 1 0.791221496938 0.0237366449081 . . . . . . . . . . 26714 1 51 . 1 1 82 82 ARG N N 15 . 1 1 82 82 ARG H H 1 0.805839881625 0.0221447782889 . . . . . . . . . . 26714 1 52 . 1 1 83 83 VAL N N 15 . 1 1 83 83 VAL H H 1 0.792025590762 0.022140224115 . . . . . . . . . . 26714 1 53 . 1 1 84 84 ASN N N 15 . 1 1 84 84 ASN H H 1 0.81610248639 0.0223838052587 . . . . . . . . . . 26714 1 54 . 1 1 85 85 HIS N N 15 . 1 1 85 85 HIS H H 1 0.65651165739 0.0160314262222 . . . . . . . . . . 26714 1 55 . 1 1 87 87 THR N N 15 . 1 1 87 87 THR H H 1 0.7818448229 0.0236268946477 . . . . . . . . . . 26714 1 56 . 1 1 88 88 LEU N N 15 . 1 1 88 88 LEU H H 1 0.824801276725 0.0185899567678 . . . . . . . . . . 26714 1 57 . 1 1 93 93 ILE N N 15 . 1 1 93 93 ILE H H 1 0.756354046235 0.0190158606021 . . . . . . . . . . 26714 1 58 . 1 1 94 94 VAL N N 15 . 1 1 94 94 VAL H H 1 0.773905332453 0.0230860297558 . . . . . . . . . . 26714 1 59 . 1 1 95 95 LYS N N 15 . 1 1 95 95 LYS H H 1 0.779808577968 0.0218438517943 . . . . . . . . . . 26714 1 60 . 1 1 96 96 TRP N N 15 . 1 1 96 96 TRP H H 1 0.794036618009 0.0236996183905 . . . . . . . . . . 26714 1 61 . 1 1 96 96 TRP NE1 N 15 . 1 1 96 96 TRP HE1 H 1 0.759521235856 0.0264232261055 . . . . . . . . . . 26714 1 62 . 1 1 97 97 ASP N N 15 . 1 1 97 97 ASP H H 1 0.747636358661 0.0286366109964 . . . . . . . . . . 26714 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_750.46_MHz_heteronuclear_NOE_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 750.46_MHz_heteronuclear_NOE_2 _Heteronucl_NOE_list.Entry_ID 26714 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 750.46 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type height _Heteronucl_NOE_list.NOE_ref_val 0 _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 6 '750.46 MHz steady-state NOE' 1 $sample_1 . 26714 2 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $relax . . 26714 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 3 3 GLN N N 15 . 1 1 3 3 GLN H H 1 0.584460595384 0.0508291389218 . . . . . . . . . . 26714 2 2 . 1 1 4 4 ARG N N 15 . 1 1 4 4 ARG H H 1 0.76563696733 0.042505544022 . . . . . . . . . . 26714 2 3 . 1 1 7 7 LYS N N 15 . 1 1 7 7 LYS H H 1 0.864259652075 0.0344582563715 . . . . . . . . . . 26714 2 4 . 1 1 10 10 VAL N N 15 . 1 1 10 10 VAL H H 1 0.82377188722 0.0260029106055 . . . . . . . . . . 26714 2 5 . 1 1 11 11 TYR N N 15 . 1 1 11 11 TYR H H 1 0.859151168042 0.0232595905957 . . . . . . . . . . 26714 2 6 . 1 1 12 12 SER N N 15 . 1 1 12 12 SER H H 1 0.868203135006 0.0278255002506 . . . . . . . . . . 26714 2 7 . 1 1 14 14 HIS N N 15 . 1 1 14 14 HIS H H 1 0.870375080195 0.0245734508248 . . . . . . . . . . 26714 2 8 . 1 1 17 17 GLU N N 15 . 1 1 17 17 GLU H H 1 0.781710547409 0.0288618186708 . . . . . . . . . . 26714 2 9 . 1 1 18 18 ASN N N 15 . 1 1 18 18 ASN H H 1 0.787299702114 0.0500303874283 . . . . . . . . . . 26714 2 10 . 1 1 19 19 GLY N N 15 . 1 1 19 19 GLY H H 1 0.881226436814 0.0338053501656 . . . . . . . . . . 26714 2 11 . 1 1 20 20 LYS N N 15 . 1 1 20 20 LYS H H 1 0.877400637769 0.0222399895378 . . . . . . . . . . 26714 2 12 . 1 1 21 21 SER N N 15 . 1 1 21 21 SER H H 1 0.828318424726 0.0222569776837 . . . . . . . . . . 26714 2 13 . 1 1 22 22 ASN N N 15 . 1 1 22 22 ASN H H 1 0.857331320897 0.0277249907362 . . . . . . . . . . 26714 2 14 . 1 1 23 23 PHE N N 15 . 1 1 23 23 PHE H H 1 0.813176575783 0.0324078124701 . . . . . . . . . . 26714 2 15 . 1 1 25 25 ASN N N 15 . 1 1 25 25 ASN H H 1 0.752874619152 0.0207356686597 . . . . . . . . . . 26714 2 16 . 1 1 26 26 CYS N N 15 . 1 1 26 26 CYS H H 1 0.87310852869 0.0241687453079 . . . . . . . . . . 26714 2 17 . 1 1 27 27 TYR N N 15 . 1 1 27 27 TYR H H 1 0.836181477151 0.0277322063762 . . . . . . . . . . 26714 2 18 . 1 1 28 28 VAL N N 15 . 1 1 28 28 VAL H H 1 0.858329900383 0.038646642124 . . . . . . . . . . 26714 2 19 . 1 1 29 29 SER N N 15 . 1 1 29 29 SER H H 1 0.838035000548 0.0323262487378 . . . . . . . . . . 26714 2 20 . 1 1 30 30 GLY N N 15 . 1 1 30 30 GLY H H 1 0.868379153421 0.0650122575585 . . . . . . . . . . 26714 2 21 . 1 1 35 35 ASP N N 15 . 1 1 35 35 ASP H H 1 0.852122113223 0.026735898985 . . . . . . . . . . 26714 2 22 . 1 1 36 36 ILE N N 15 . 1 1 36 36 ILE H H 1 0.871499548162 0.0215214202514 . . . . . . . . . . 26714 2 23 . 1 1 40 40 LEU N N 15 . 1 1 40 40 LEU H H 1 0.811144013325 0.025126043461 . . . . . . . . . . 26714 2 24 . 1 1 41 41 LEU N N 15 . 1 1 41 41 LEU H H 1 0.853073692927 0.0258500530456 . . . . . . . . . . 26714 2 25 . 1 1 43 43 ASN N N 15 . 1 1 43 43 ASN H H 1 0.741619077069 0.0176547686599 . . . . . . . . . . 26714 2 26 . 1 1 44 44 GLY N N 15 . 1 1 44 44 GLY H H 1 0.904465499025 0.0370045033461 . . . . . . . . . . 26714 2 27 . 1 1 45 45 GLU N N 15 . 1 1 45 45 GLU H H 1 0.846249577909 0.0187057479464 . . . . . . . . . . 26714 2 28 . 1 1 46 46 ARG N N 15 . 1 1 46 46 ARG H H 1 0.827835152344 0.0348977595898 . . . . . . . . . . 26714 2 29 . 1 1 47 47 ILE N N 15 . 1 1 47 47 ILE H H 1 0.826531326716 0.0273412582544 . . . . . . . . . . 26714 2 30 . 1 1 48 48 GLU N N 15 . 1 1 48 48 GLU H H 1 0.813666411968 0.0298241208926 . . . . . . . . . . 26714 2 31 . 1 1 49 49 LYS N N 15 . 1 1 49 49 LYS H H 1 0.726415903516 0.0293411068458 . . . . . . . . . . 26714 2 32 . 1 1 50 50 VAL N N 15 . 1 1 50 50 VAL H H 1 0.567388051986 0.0208029301388 . . . . . . . . . . 26714 2 33 . 1 1 51 51 GLU N N 15 . 1 1 51 51 GLU H H 1 0.753472648183 0.0196200070768 . . . . . . . . . . 26714 2 34 . 1 1 52 52 HIS N N 15 . 1 1 52 52 HIS H H 1 0.862279149077 0.024769075213 . . . . . . . . . . 26714 2 35 . 1 1 53 53 SER N N 15 . 1 1 53 53 SER H H 1 0.86021396826 0.0279857090846 . . . . . . . . . . 26714 2 36 . 1 1 61 61 TRP NE1 N 15 . 1 1 61 61 TRP HE1 H 1 -0.10168311921 0.51170146555 . . . . . . . . . . 26714 2 37 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.875778793933 0.0280245053018 . . . . . . . . . . 26714 2 38 . 1 1 66 66 LEU N N 15 . 1 1 66 66 LEU H H 1 0.793181332776 0.0294405170371 . . . . . . . . . . 26714 2 39 . 1 1 67 67 TYR N N 15 . 1 1 67 67 TYR H H 1 0.841571558372 0.0257728157622 . . . . . . . . . . 26714 2 40 . 1 1 68 68 TYR N N 15 . 1 1 68 68 TYR H H 1 0.828932815478 0.0232772367682 . . . . . . . . . . 26714 2 41 . 1 1 69 69 THR N N 15 . 1 1 69 69 THR H H 1 0.880510496281 0.0220814551523 . . . . . . . . . . 26714 2 42 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.818883113023 0.0220938121531 . . . . . . . . . . 26714 2 43 . 1 1 72 72 THR N N 15 . 1 1 72 72 THR H H 1 0.879131191415 0.0293605158699 . . . . . . . . . . 26714 2 44 . 1 1 74 74 THR N N 15 . 1 1 74 74 THR H H 1 0.838023202113 0.0233785089324 . . . . . . . . . . 26714 2 45 . 1 1 75 75 GLU N N 15 . 1 1 75 75 GLU H H 1 0.83370387915 0.114310191416 . . . . . . . . . . 26714 2 46 . 1 1 76 76 LYS N N 15 . 1 1 76 76 LYS H H 1 0.780938050634 0.0351855017946 . . . . . . . . . . 26714 2 47 . 1 1 77 77 ASP N N 15 . 1 1 77 77 ASP H H 1 0.817865854522 0.0201141550152 . . . . . . . . . . 26714 2 48 . 1 1 78 78 GLU N N 15 . 1 1 78 78 GLU H H 1 0.841343138468 0.0230114886962 . . . . . . . . . . 26714 2 49 . 1 1 79 79 TYR N N 15 . 1 1 79 79 TYR H H 1 0.857651498728 0.0257295449618 . . . . . . . . . . 26714 2 50 . 1 1 81 81 CYS N N 15 . 1 1 81 81 CYS H H 1 0.829906047583 0.0224853508321 . . . . . . . . . . 26714 2 51 . 1 1 82 82 ARG N N 15 . 1 1 82 82 ARG H H 1 0.838919584206 0.0238509798217 . . . . . . . . . . 26714 2 52 . 1 1 83 83 VAL N N 15 . 1 1 83 83 VAL H H 1 0.801742736223 0.024523605684 . . . . . . . . . . 26714 2 53 . 1 1 84 84 ASN N N 15 . 1 1 84 84 ASN H H 1 0.862426664474 0.0252492001109 . . . . . . . . . . 26714 2 54 . 1 1 85 85 HIS N N 15 . 1 1 85 85 HIS H H 1 0.780440330781 0.0187941832371 . . . . . . . . . . 26714 2 55 . 1 1 87 87 THR N N 15 . 1 1 87 87 THR H H 1 0.871833103356 0.02810414086 . . . . . . . . . . 26714 2 56 . 1 1 88 88 LEU N N 15 . 1 1 88 88 LEU H H 1 0.885510176664 0.0219955594905 . . . . . . . . . . 26714 2 57 . 1 1 93 93 ILE N N 15 . 1 1 93 93 ILE H H 1 0.779568704388 0.0211124694679 . . . . . . . . . . 26714 2 58 . 1 1 94 94 VAL N N 15 . 1 1 94 94 VAL H H 1 0.857588699313 0.0262975957211 . . . . . . . . . . 26714 2 59 . 1 1 95 95 LYS N N 15 . 1 1 95 95 LYS H H 1 0.841612010209 0.0242674302925 . . . . . . . . . . 26714 2 60 . 1 1 96 96 TRP N N 15 . 1 1 96 96 TRP H H 1 0.810275847836 0.0217340473406 . . . . . . . . . . 26714 2 61 . 1 1 96 96 TRP NE1 N 15 . 1 1 96 96 TRP HE1 H 1 0.845290473596 0.0327020202506 . . . . . . . . . . 26714 2 62 . 1 1 97 97 ASP N N 15 . 1 1 97 97 ASP H H 1 0.801477155407 0.0274193442035 . . . . . . . . . . 26714 2 stop_ save_