############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 17226 _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 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 2.00E+07 _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 '2D 1H-15N HSQC' . . . 17226 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 4 $NMRView . . 17226 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 7 7 LEU H H 1 . 1 1 7 7 LEU N N 15 -0.121522693997 0.0366032210835 . . 1 7 LEU H 1 7 LEU N 17226 1 2 . 1 1 11 11 GLU H H 1 . 1 1 11 11 GLU N N 15 0.181716833891 0.0278706800446 . . 1 11 GLU H 1 11 GLU N 17226 1 3 . 1 1 13 13 ILE H H 1 . 1 1 13 13 ILE N N 15 0.317629179331 0.0189969604863 . . 1 13 ILE H 1 13 ILE N 17226 1 4 . 1 1 14 14 SER H H 1 . 1 1 14 14 SER N N 15 0.529909706546 0.0282167042889 . . 1 14 SER H 1 14 SER N 17226 1 5 . 1 1 15 15 ILE H H 1 . 1 1 15 15 ILE N N 15 0.797263681592 0.0310945273632 . . 1 15 ILE H 1 15 ILE N 17226 1 6 . 1 1 16 16 TYR H H 1 . 1 1 16 16 TYR N N 15 0.817243472981 0.0303582270795 . . 1 16 TYR H 1 16 TYR N 17226 1 7 . 1 1 17 17 ASP H H 1 . 1 1 17 17 ASP N N 15 0.805173133083 0.0208594075928 . . 1 17 ASP H 1 17 ASP N 17226 1 8 . 1 1 19 19 ILE H H 1 . 1 1 19 19 ILE N N 15 0.800921187308 0.0255885363357 . . 1 19 ILE H 1 19 ILE N 17226 1 9 . 1 1 20 20 GLY H H 1 . 1 1 20 20 GLY N N 15 0.786516853933 0.0200642054575 . . 1 20 GLY H 1 20 GLY N 17226 1 10 . 1 1 21 21 GLY H H 1 . 1 1 21 21 GLY N N 15 0.726783793474 0.0179275726067 . . 1 21 GLY H 1 21 GLY N 17226 1 11 . 1 1 22 22 HIS H H 1 . 1 1 22 22 HIS N N 15 0.75 0.0222024866785 . . 1 22 HIS H 1 22 HIS N 17226 1 12 . 1 1 23 23 GLU H H 1 . 1 1 23 23 GLU N N 15 0.686953597848 0.0168123739072 . . 1 23 GLU H 1 23 GLU N 17226 1 13 . 1 1 24 24 ALA H H 1 . 1 1 24 24 ALA N N 15 0.756920415225 0.0144175317186 . . 1 24 ALA H 1 24 ALA N 17226 1 14 . 1 1 25 25 ILE H H 1 . 1 1 25 25 ILE N N 15 0.746773475745 0.0222518914108 . . 1 25 ILE H 1 25 ILE N 17226 1 15 . 1 1 26 26 GLU H H 1 . 1 1 26 26 GLU N N 15 0.716403634625 0.0239120038259 . . 1 26 GLU H 1 26 GLU N 17226 1 16 . 1 1 28 28 VAL H H 1 . 1 1 28 28 VAL N N 15 0.771769383698 0.0198807157058 . . 1 28 VAL H 1 28 VAL N 17226 1 17 . 1 1 30 30 GLU H H 1 . 1 1 30 30 GLU N N 15 0.70528602462 0.0181028240406 . . 1 30 GLU H 1 30 GLU N 17226 1 18 . 1 1 31 31 ASP H H 1 . 1 1 31 31 ASP N N 15 0.75644028103 0.0195160031226 . . 1 31 ASP H 1 31 ASP N 17226 1 19 . 1 1 32 32 PHE H H 1 . 1 1 32 32 PHE N N 15 0.785291943829 0.0184774575018 . . 1 32 PHE H 1 32 PHE N 17226 1 20 . 1 1 33 33 TYR H H 1 . 1 1 33 33 TYR N N 15 0.730304293456 0.0208420175073 . . 1 33 TYR H 1 33 TYR N 17226 1 21 . 1 1 34 34 VAL H H 1 . 1 1 34 34 VAL N N 15 0.789494013132 0.0193124758594 . . 1 34 VAL H 1 34 VAL N 17226 1 22 . 1 1 35 35 ARG H H 1 . 1 1 35 35 ARG N N 15 0.788048552754 0.0233426704015 . . 1 35 ARG H 1 35 ARG N 17226 1 23 . 1 1 36 36 VAL H H 1 . 1 1 36 36 VAL N N 15 0.759488272921 0.0213219616205 . . 1 36 VAL H 1 36 VAL N 17226 1 24 . 1 1 37 37 LEU H H 1 . 1 1 37 37 LEU N N 15 0.774823431658 0.020772746157 . . 1 37 LEU H 1 37 LEU N 17226 1 25 . 1 1 38 38 ALA H H 1 . 1 1 38 38 ALA N N 15 0.766805266805 0.017325017325 . . 1 38 ALA H 1 38 ALA N 17226 1 26 . 1 1 39 39 ASP H H 1 . 1 1 39 39 ASP N N 15 0.783094098884 0.0159489633174 . . 1 39 ASP H 1 39 ASP N 17226 1 27 . 1 1 40 40 ASP H H 1 . 1 1 40 40 ASP N N 15 0.680453635757 0.0166777851901 . . 1 40 ASP H 1 40 ASP N 17226 1 28 . 1 1 41 41 GLN H H 1 . 1 1 41 41 GLN N N 15 0.720729366603 0.0159948816379 . . 1 41 GLN H 1 41 GLN N 17226 1 29 . 1 1 42 42 LEU H H 1 . 1 1 42 42 LEU N N 15 0.694598043386 0.0212675457252 . . 1 42 LEU H 1 42 LEU N 17226 1 30 . 1 1 43 43 SER H H 1 . 1 1 43 43 SER N N 15 0.763897564022 0.0156152404747 . . 1 43 SER H 1 43 SER N 17226 1 31 . 1 1 44 44 ALA H H 1 . 1 1 44 44 ALA N N 15 0.757955936353 0.015299877601 . . 1 44 ALA H 1 44 ALA N 17226 1 32 . 1 1 45 45 PHE H H 1 . 1 1 45 45 PHE N N 15 0.797359735974 0.016501650165 . . 1 45 PHE H 1 45 PHE N 17226 1 33 . 1 1 46 46 PHE H H 1 . 1 1 46 46 PHE N N 15 0.775100401606 0.0223114680946 . . 1 46 PHE H 1 46 PHE N 17226 1 34 . 1 1 47 47 SER H H 1 . 1 1 47 47 SER N N 15 0.774677608441 0.0117233294256 . . 1 47 SER H 1 47 SER N 17226 1 35 . 1 1 49 49 THR H H 1 . 1 1 49 49 THR N N 15 0.760115606936 0.0160565189467 . . 1 49 THR H 1 49 THR N 17226 1 36 . 1 1 51 51 MET H H 1 . 1 1 51 51 MET N N 15 0.79117147708 0.0424448217317 . . 1 51 MET H 1 51 MET N 17226 1 37 . 1 1 52 52 SER H H 1 . 1 1 52 52 SER N N 15 0.672752808989 0.0351123595506 . . 1 52 SER H 1 52 SER N 17226 1 38 . 1 1 53 53 ARG H H 1 . 1 1 53 53 ARG N N 15 0.789055973266 0.0208855472013 . . 1 53 ARG H 1 53 ARG N 17226 1 39 . 1 1 55 55 LYS H H 1 . 1 1 55 55 LYS N N 15 0.719534883721 0.0232558139535 . . 1 55 LYS H 1 55 LYS N 17226 1 40 . 1 1 56 56 GLY H H 1 . 1 1 56 56 GLY N N 15 0.779164873009 0.0215238915196 . . 1 56 GLY H 1 56 GLY N 17226 1 41 . 1 1 58 58 GLN H H 1 . 1 1 58 58 GLN N N 15 0.796574770259 0.0208855472013 . . 1 58 GLN H 1 58 GLN N 17226 1 42 . 1 1 59 59 VAL H H 1 . 1 1 59 59 VAL N N 15 0.757467677218 0.0222915737851 . . 1 59 VAL H 1 59 VAL N 17226 1 43 . 1 1 60 60 GLU H H 1 . 1 1 60 60 GLU N N 15 0.741071428571 0.0186011904762 . . 1 60 GLU H 1 60 GLU N 17226 1 44 . 1 1 61 61 PHE H H 1 . 1 1 61 61 PHE N N 15 0.71683991684 0.02079002079 . . 1 61 PHE H 1 61 PHE N 17226 1 45 . 1 1 62 62 PHE H H 1 . 1 1 62 62 PHE N N 15 0.720188902007 0.0196772924046 . . 1 62 PHE H 1 62 PHE N 17226 1 46 . 1 1 63 63 ALA H H 1 . 1 1 63 63 ALA N N 15 0.753908692933 0.0156347717323 . . 1 63 ALA H 1 63 ALA N 17226 1 47 . 1 1 64 64 ALA H H 1 . 1 1 64 64 ALA N N 15 0.722691917484 0.0169090294217 . . 1 64 ALA H 1 64 ALA N 17226 1 48 . 1 1 66 66 LEU H H 1 . 1 1 66 66 LEU N N 15 0.783393501805 0.0225631768953 . . 1 66 LEU H 1 66 LEU N 17226 1 49 . 1 1 67 67 GLY H H 1 . 1 1 67 67 GLY N N 15 0.796271637816 0.0221926320462 . . 1 67 GLY H 1 67 GLY N 17226 1 50 . 1 1 68 68 GLY H H 1 . 1 1 68 68 GLY N N 15 0.719647822057 0.0231696014829 . . 1 68 GLY H 1 68 GLY N 17226 1 51 . 1 1 70 70 GLU H H 1 . 1 1 70 70 GLU N N 15 0.706046141607 0.0198886237072 . . 1 70 GLU H 1 70 GLU N 17226 1 52 . 1 1 72 72 TYR H H 1 . 1 1 72 72 TYR N N 15 0.687100413689 0.0188040616773 . . 1 72 TYR H 1 72 TYR N 17226 1 53 . 1 1 73 73 THR H H 1 . 1 1 73 73 THR N N 15 0.685897435897 0.0291375291375 . . 1 73 THR H 1 73 THR N 17226 1 54 . 1 1 75 75 ALA H H 1 . 1 1 75 75 ALA N N 15 0.726516052319 0.0198176773682 . . 1 75 ALA H 1 75 ALA N 17226 1 55 . 1 1 77 77 MET H H 1 . 1 1 77 77 MET N N 15 0.795131845842 0.0338066260987 . . 1 77 MET H 1 77 MET N 17226 1 56 . 1 1 78 78 LYS H H 1 . 1 1 78 78 LYS N N 15 0.807734204793 0.0272331154684 . . 1 78 LYS H 1 78 LYS N 17226 1 57 . 1 1 79 79 GLN H H 1 . 1 1 79 79 GLN N N 15 0.590052015605 0.0162548764629 . . 1 79 GLN H 1 79 GLN N 17226 1 58 . 1 1 80 80 VAL H H 1 . 1 1 80 80 VAL N N 15 0.597272362615 0.0200561572403 . . 1 80 VAL H 1 80 VAL N 17226 1 59 . 1 1 81 81 HIS H H 1 . 1 1 81 81 HIS N N 15 0.61815920398 0.0310945273632 . . 1 81 HIS H 1 81 HIS N 17226 1 60 . 1 1 82 82 GLN H H 1 . 1 1 82 82 GLN N N 15 0.7264 0.016 . . 1 82 GLN H 1 82 GLN N 17226 1 61 . 1 1 83 83 GLY H H 1 . 1 1 83 83 GLY N N 15 0.7225 0.0208333333333 . . 1 83 GLY H 1 83 GLY N 17226 1 62 . 1 1 84 84 ARG H H 1 . 1 1 84 84 ARG N N 15 0.778227848101 0.0253164556962 . . 1 84 ARG H 1 84 ARG N 17226 1 63 . 1 1 85 85 GLY H H 1 . 1 1 85 85 GLY N N 15 0.777610818933 0.0187828700225 . . 1 85 GLY H 1 85 GLY N 17226 1 64 . 1 1 86 86 ILE H H 1 . 1 1 86 86 ILE N N 15 0.761793826441 0.0291205591147 . . 1 86 ILE H 1 86 ILE N 17226 1 65 . 1 1 87 87 THR H H 1 . 1 1 87 87 THR N N 15 0.786469344609 0.0176180408739 . . 1 87 THR H 1 87 THR N 17226 1 66 . 1 1 90 90 HIS H H 1 . 1 1 90 90 HIS N N 15 0.745206646783 0.021303792075 . . 1 90 HIS H 1 90 HIS N 17226 1 67 . 1 1 91 91 PHE H H 1 . 1 1 91 91 PHE N N 15 0.766950488805 0.0157678965626 . . 1 91 PHE H 1 91 PHE N 17226 1 68 . 1 1 92 92 SER H H 1 . 1 1 92 92 SER N N 15 0.760030864198 0.0192901234568 . . 1 92 SER H 1 92 SER N 17226 1 69 . 1 1 93 93 LEU H H 1 . 1 1 93 93 LEU N N 15 0.744486692015 0.0190114068441 . . 1 93 LEU H 1 93 LEU N 17226 1 70 . 1 1 94 94 VAL H H 1 . 1 1 94 94 VAL N N 15 0.745587745588 0.01665001665 . . 1 94 VAL H 1 94 VAL N 17226 1 71 . 1 1 95 95 ALA H H 1 . 1 1 95 95 ALA N N 15 0.779382270357 0.0200561572403 . . 1 95 ALA H 1 95 ALA N 17226 1 72 . 1 1 96 96 GLY H H 1 . 1 1 96 96 GLY N N 15 0.819863013699 0.0171232876712 . . 1 96 GLY H 1 96 GLY N 17226 1 73 . 1 1 97 97 HIS H H 1 . 1 1 97 97 HIS N N 15 0.713960546282 0.0189681335357 . . 1 97 HIS H 1 97 HIS N 17226 1 74 . 1 1 98 98 LEU H H 1 . 1 1 98 98 LEU N N 15 0.717341040462 0.014450867052 . . 1 98 LEU H 1 98 LEU N 17226 1 75 . 1 1 99 99 ALA H H 1 . 1 1 99 99 ALA N N 15 0.737699355277 0.0169664065151 . . 1 99 ALA H 1 99 ALA N 17226 1 76 . 1 1 100 100 ASP H H 1 . 1 1 100 100 ASP N N 15 0.762655045256 0.0167616493463 . . 1 100 ASP H 1 100 ASP N 17226 1 77 . 1 1 101 101 ALA H H 1 . 1 1 101 101 ALA N N 15 0.755515533543 0.02251238181 . . 1 101 ALA H 1 101 ALA N 17226 1 78 . 1 1 102 102 LEU H H 1 . 1 1 102 102 LEU N N 15 0.712801330008 0.0207813798836 . . 1 102 LEU H 1 102 LEU N 17226 1 79 . 1 1 103 103 THR H H 1 . 1 1 103 103 THR N N 15 0.821220484514 0.0153327200245 . . 1 103 THR H 1 103 THR N 17226 1 80 . 1 1 104 104 ALA H H 1 . 1 1 104 104 ALA N N 15 0.738660258336 0.015019525383 . . 1 104 ALA H 1 104 ALA N 17226 1 81 . 1 1 105 105 ALA H H 1 . 1 1 105 105 ALA N N 15 0.783973412112 0.0184638109306 . . 1 105 ALA H 1 105 ALA N 17226 1 82 . 1 1 106 106 GLY H H 1 . 1 1 106 106 GLY N N 15 0.792836398838 0.0242013552759 . . 1 106 GLY H 1 106 GLY N 17226 1 83 . 1 1 112 112 ILE H H 1 . 1 1 112 112 ILE N N 15 0.807939287799 0.0145942790426 . . 1 112 ILE H 1 112 ILE N 17226 1 84 . 1 1 114 114 GLU H H 1 . 1 1 114 114 GLU N N 15 0.799939558779 0.0151103052282 . . 1 114 GLU H 1 114 GLU N 17226 1 85 . 1 1 115 115 ILE H H 1 . 1 1 115 115 ILE N N 15 0.76875483372 0.0193348801237 . . 1 115 ILE H 1 115 ILE N 17226 1 86 . 1 1 116 116 LEU H H 1 . 1 1 116 116 LEU N N 15 0.782345305063 0.0216356555604 . . 1 116 LEU H 1 116 LEU N 17226 1 87 . 1 1 117 117 GLY H H 1 . 1 1 117 117 GLY N N 15 0.814726840855 0.0169664065151 . . 1 117 GLY H 1 117 GLY N 17226 1 88 . 1 1 118 118 VAL H H 1 . 1 1 118 118 VAL N N 15 0.785583607757 0.0182949140139 . . 1 118 VAL H 1 118 VAL N 17226 1 89 . 1 1 119 119 ILE H H 1 . 1 1 119 119 ILE N N 15 0.732347328244 0.0238549618321 . . 1 119 ILE H 1 119 ILE N 17226 1 90 . 1 1 120 120 ALA H H 1 . 1 1 120 120 ALA N N 15 0.740778001341 0.0167672702884 . . 1 120 ALA H 1 120 ALA N 17226 1 91 . 1 1 122 122 LEU H H 1 . 1 1 122 122 LEU N N 15 0.750441852245 0.0176740897844 . . 1 122 LEU H 1 122 LEU N 17226 1 92 . 1 1 123 123 ALA H H 1 . 1 1 123 123 ALA N N 15 0.743043725156 0.0141964792731 . . 1 123 ALA H 1 123 ALA N 17226 1 93 . 1 1 124 124 VAL H H 1 . 1 1 124 124 VAL N N 15 0.729288975864 0.0163078930202 . . 1 124 VAL H 1 124 VAL N 17226 1 94 . 1 1 125 125 ASP H H 1 . 1 1 125 125 ASP N N 15 0.676461091379 0.0161446561188 . . 1 125 ASP H 1 125 ASP N 17226 1 95 . 1 1 126 126 VAL H H 1 . 1 1 126 126 VAL N N 15 0.733057423694 0.0258665287118 . . 1 126 VAL H 1 126 VAL N 17226 1 96 . 1 1 127 127 THR H H 1 . 1 1 127 127 THR N N 15 0.709734513274 0.0221238938053 . . 1 127 THR H 1 127 THR N 17226 1 97 . 1 1 129 129 GLY H H 1 . 1 1 129 129 GLY N N 15 0.433164128596 0.0423011844332 . . 1 129 GLY H 1 129 GLY N 17226 1 98 . 1 1 130 130 GLU H H 1 . 1 1 130 130 GLU N N 15 0.236031518625 0.0179083094556 . . 1 130 GLU H 1 130 GLU N 17226 1 99 . 1 1 133 133 THR H H 1 . 1 1 133 133 THR N N 15 -0.8233562316 0.0490677134446 . . 1 133 THR H 1 133 THR N 17226 1 100 . 1 1 134 134 ALA H H 1 . 1 1 134 134 ALA N N 15 -1.09889893826 0.00983090837593 . . 1 134 ALA H 1 134 ALA N 17226 1 101 . 1 1 136 136 VAL H H 1 . 1 1 136 136 VAL N N 15 -1.78342225315 0.00386607902266 . . 1 136 VAL H 1 136 VAL N 17226 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_2 _Heteronucl_NOE_list.Entry_ID 17226 _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 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 2.00E+07 _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 '2D 1H-15N HSQC' . . . 17226 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 4 $NMRView . . 17226 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 7 7 LEU H H 1 . 1 1 7 7 LEU N N 15 0.0221625251847 0.0282068502351 . . 1 7 LEU H 1 7 LEU N 17226 2 2 . 1 1 11 11 GLU H H 1 . 1 1 11 11 GLU N N 15 0.243608297154 0.0202604920405 . . 1 11 GLU H 1 11 GLU N 17226 2 3 . 1 1 13 13 ILE H H 1 . 1 1 13 13 ILE N N 15 0.350351461339 0.015538290788 . . 1 13 ILE H 1 13 ILE N 17226 2 4 . 1 1 14 14 SER H H 1 . 1 1 14 14 SER N N 15 0.540298507463 0.0208955223881 . . 1 14 SER H 1 14 SER N 17226 2 5 . 1 1 15 15 ILE H H 1 . 1 1 15 15 ILE N N 15 0.810163551402 0.0245327102804 . . 1 15 ILE H 1 15 ILE N 17226 2 6 . 1 1 16 16 TYR H H 1 . 1 1 16 16 TYR N N 15 0.793013555787 0.021897810219 . . 1 16 TYR H 1 16 TYR N 17226 2 7 . 1 1 17 17 ASP H H 1 . 1 1 17 17 ASP N N 15 0.748452696729 0.0185676392573 . . 1 17 ASP H 1 17 ASP N 17226 2 8 . 1 1 19 19 ILE H H 1 . 1 1 19 19 ILE N N 15 0.695936478281 0.0196170014012 . . 1 19 ILE H 1 19 ILE N 17226 2 9 . 1 1 20 20 GLY H H 1 . 1 1 20 20 GLY N N 15 0.756524981357 0.0156599552573 . . 1 20 GLY H 1 20 GLY N 17226 2 10 . 1 1 21 21 GLY H H 1 . 1 1 21 21 GLY N N 15 0.784224497535 0.0159271899886 . . 1 21 GLY H 1 21 GLY N 17226 2 11 . 1 1 22 22 HIS H H 1 . 1 1 22 22 HIS N N 15 0.748185117967 0.019056261343 . . 1 22 HIS H 1 22 HIS N 17226 2 12 . 1 1 23 23 GLU H H 1 . 1 1 23 23 GLU N N 15 0.788532883642 0.0141652613828 . . 1 23 GLU H 1 23 GLU N 17226 2 13 . 1 1 24 24 ALA H H 1 . 1 1 24 24 ALA N N 15 0.743902439024 0.0116407982262 . . 1 24 ALA H 1 24 ALA N 17226 2 14 . 1 1 25 25 ILE H H 1 . 1 1 25 25 ILE N N 15 0.754774305556 0.0182291666667 . . 1 25 ILE H 1 25 ILE N 17226 2 15 . 1 1 26 26 GLU H H 1 . 1 1 26 26 GLU N N 15 0.777777777778 0.0209267563528 . . 1 26 GLU H 1 26 GLU N 17226 2 16 . 1 1 28 28 VAL H H 1 . 1 1 28 28 VAL N N 15 0.763871506049 0.017521902378 . . 1 28 VAL H 1 28 VAL N 17226 2 17 . 1 1 30 30 GLU H H 1 . 1 1 30 30 GLU N N 15 0.815033161385 0.0154753131909 . . 1 30 GLU H 1 30 GLU N 17226 2 18 . 1 1 31 31 ASP H H 1 . 1 1 31 31 ASP N N 15 0.806587514362 0.0160857908847 . . 1 31 ASP H 1 31 ASP N 17226 2 19 . 1 1 32 32 PHE H H 1 . 1 1 32 32 PHE N N 15 0.786027944112 0.0167664670659 . . 1 32 PHE H 1 32 PHE N 17226 2 20 . 1 1 33 33 TYR H H 1 . 1 1 33 33 TYR N N 15 0.777425742574 0.0166336633663 . . 1 33 TYR H 1 33 TYR N 17226 2 21 . 1 1 34 34 VAL H H 1 . 1 1 34 34 VAL N N 15 0.810589907605 0.0149253731343 . . 1 34 VAL H 1 34 VAL N 17226 2 22 . 1 1 35 35 ARG H H 1 . 1 1 35 35 ARG N N 15 0.786745964316 0.017841971113 . . 1 35 ARG H 1 35 ARG N 17226 2 23 . 1 1 36 36 VAL H H 1 . 1 1 36 36 VAL N N 15 0.777471445451 0.0165419456479 . . 1 36 VAL H 1 36 VAL N 17226 2 24 . 1 1 37 37 LEU H H 1 . 1 1 37 37 LEU N N 15 0.754951456311 0.0163106796117 . . 1 37 LEU H 1 37 LEU N 17226 2 25 . 1 1 38 38 ALA H H 1 . 1 1 38 38 ALA N N 15 0.793281653747 0.0135658914729 . . 1 38 ALA H 1 38 ALA N 17226 2 26 . 1 1 39 39 ASP H H 1 . 1 1 39 39 ASP N N 15 0.792724992161 0.0131702728128 . . 1 39 ASP H 1 39 ASP N 17226 2 27 . 1 1 40 40 ASP H H 1 . 1 1 40 40 ASP N N 15 0.791907514451 0.0134874759152 . . 1 40 ASP H 1 40 ASP N 17226 2 28 . 1 1 41 41 GLN H H 1 . 1 1 41 41 GLN N N 15 0.793964016251 0.0121880441091 . . 1 41 GLN H 1 41 GLN N 17226 2 29 . 1 1 42 42 LEU H H 1 . 1 1 42 42 LEU N N 15 0.762837249782 0.0182767624021 . . 1 42 LEU H 1 42 LEU N 17226 2 30 . 1 1 43 43 SER H H 1 . 1 1 43 43 SER N N 15 0.734888951364 0.0118077031206 . . 1 43 SER H 1 43 SER N 17226 2 31 . 1 1 44 44 ALA H H 1 . 1 1 44 44 ALA N N 15 0.75344391341 0.0118077031206 . . 1 44 ALA H 1 44 ALA N 17226 2 32 . 1 1 45 45 PHE H H 1 . 1 1 45 45 PHE N N 15 0.80889163322 0.0129669651127 . . 1 45 PHE H 1 45 PHE N 17226 2 33 . 1 1 46 46 PHE H H 1 . 1 1 46 46 PHE N N 15 0.757411273486 0.0175365344468 . . 1 46 PHE H 1 46 PHE N 17226 2 34 . 1 1 47 47 SER H H 1 . 1 1 47 47 SER N N 15 0.771440553575 0.00880687775215 . . 1 47 SER H 1 47 SER N 17226 2 35 . 1 1 49 49 THR H H 1 . 1 1 49 49 THR N N 15 0.783814374646 0.0118845500849 . . 1 49 THR H 1 49 THR N 17226 2 36 . 1 1 51 51 MET H H 1 . 1 1 51 51 MET N N 15 0.785195936139 0.0304789550073 . . 1 51 MET H 1 51 MET N 17226 2 37 . 1 1 52 52 SER H H 1 . 1 1 52 52 SER N N 15 0.790849673203 0.0274509803922 . . 1 52 SER H 1 52 SER N 17226 2 38 . 1 1 53 53 ARG H H 1 . 1 1 53 53 ARG N N 15 0.767557251908 0.0160305343511 . . 1 53 ARG H 1 53 ARG N 17226 2 39 . 1 1 55 55 LYS H H 1 . 1 1 55 55 LYS N N 15 0.748852732582 0.017521902378 . . 1 55 LYS H 1 55 LYS N 17226 2 40 . 1 1 56 56 GLY H H 1 . 1 1 56 56 GLY N N 15 0.774706867672 0.0175879396985 . . 1 56 GLY H 1 56 GLY N 17226 2 41 . 1 1 58 58 GLN H H 1 . 1 1 58 58 GLN N N 15 0.782051282051 0.0168269230769 . . 1 58 GLN H 1 58 GLN N 17226 2 42 . 1 1 59 59 VAL H H 1 . 1 1 59 59 VAL N N 15 0.799212598425 0.0165354330709 . . 1 59 VAL H 1 59 VAL N 17226 2 43 . 1 1 60 60 GLU H H 1 . 1 1 60 60 GLU N N 15 0.795008912656 0.0149732620321 . . 1 60 GLU H 1 60 GLU N 17226 2 44 . 1 1 61 61 PHE H H 1 . 1 1 61 61 PHE N N 15 0.77647489923 0.0153902528399 . . 1 61 PHE H 1 61 PHE N 17226 2 45 . 1 1 62 62 PHE H H 1 . 1 1 62 62 PHE N N 15 0.762977099237 0.0160305343511 . . 1 62 PHE H 1 62 PHE N 17226 2 46 . 1 1 63 63 ALA H H 1 . 1 1 63 63 ALA N N 15 0.77368586717 0.0132200188857 . . 1 63 ALA H 1 63 ALA N 17226 2 47 . 1 1 64 64 ALA H H 1 . 1 1 64 64 ALA N N 15 0.728808353808 0.0128992628993 . . 1 64 ALA H 1 64 ALA N 17226 2 48 . 1 1 66 66 LEU H H 1 . 1 1 66 66 LEU N N 15 0.790636042403 0.0185512367491 . . 1 66 LEU H 1 66 LEU N 17226 2 49 . 1 1 67 67 GLY H H 1 . 1 1 67 67 GLY N N 15 0.77687366167 0.0179871520343 . . 1 67 GLY H 1 67 GLY N 17226 2 50 . 1 1 68 68 GLY H H 1 . 1 1 68 68 GLY N N 15 0.784725136383 0.0176248426353 . . 1 68 GLY H 1 68 GLY N 17226 2 51 . 1 1 70 70 GLU H H 1 . 1 1 70 70 GLU N N 15 0.747181266262 0.0182133564614 . . 1 70 GLU H 1 70 GLU N 17226 2 52 . 1 1 72 72 TYR H H 1 . 1 1 72 72 TYR N N 15 0.683625336927 0.0141509433962 . . 1 72 TYR H 1 72 TYR N 17226 2 53 . 1 1 73 73 THR H H 1 . 1 1 73 73 THR N N 15 0.794676806084 0.0228136882129 . . 1 73 THR H 1 73 THR N 17226 2 54 . 1 1 75 75 ALA H H 1 . 1 1 75 75 ALA N N 15 0.709556057186 0.0158013544018 . . 1 75 ALA H 1 75 ALA N 17226 2 55 . 1 1 77 77 MET H H 1 . 1 1 77 77 MET N N 15 0.801219512195 0.0256097560976 . . 1 77 MET H 1 77 MET N 17226 2 56 . 1 1 78 78 LYS H H 1 . 1 1 78 78 LYS N N 15 0.765266106443 0.0235294117647 . . 1 78 LYS H 1 78 LYS N 17226 2 57 . 1 1 79 79 GLN H H 1 . 1 1 79 79 GLN N N 15 0.632375656472 0.0129749768304 . . 1 79 GLN H 1 79 GLN N 17226 2 58 . 1 1 80 80 VAL H H 1 . 1 1 80 80 VAL N N 15 0.712103407756 0.0164512338425 . . 1 80 VAL H 1 80 VAL N 17226 2 59 . 1 1 81 81 HIS H H 1 . 1 1 81 81 HIS N N 15 0.755150554675 0.0332805071315 . . 1 81 HIS H 1 81 HIS N 17226 2 60 . 1 1 82 82 GLN H H 1 . 1 1 82 82 GLN N N 15 0.753938248267 0.0132325141777 . . 1 82 GLN H 1 82 GLN N 17226 2 61 . 1 1 83 83 GLY H H 1 . 1 1 83 83 GLY N N 15 0.720527617477 0.0173124484749 . . 1 83 GLY H 1 83 GLY N 17226 2 62 . 1 1 84 84 ARG H H 1 . 1 1 84 84 ARG N N 15 0.776249426868 0.019257221458 . . 1 84 ARG H 1 84 ARG N 17226 2 63 . 1 1 85 85 GLY H H 1 . 1 1 85 85 GLY N N 15 0.809813463098 0.0170316301703 . . 1 85 GLY H 1 85 GLY N 17226 2 64 . 1 1 86 86 ILE H H 1 . 1 1 86 86 ILE N N 15 0.760747663551 0.0261682242991 . . 1 86 ILE H 1 86 ILE N 17226 2 65 . 1 1 87 87 THR H H 1 . 1 1 87 87 THR N N 15 0.749523204069 0.0133502860776 . . 1 87 THR H 1 87 THR N 17226 2 66 . 1 1 90 90 HIS H H 1 . 1 1 90 90 HIS N N 15 0.80561043066 0.016594231529 . . 1 90 HIS H 1 90 HIS N 17226 2 67 . 1 1 91 91 PHE H H 1 . 1 1 91 91 PHE N N 15 0.786308973173 0.0129509713228 . . 1 91 PHE H 1 91 PHE N 17226 2 68 . 1 1 92 92 SER H H 1 . 1 1 92 92 SER N N 15 0.802631578947 0.016253869969 . . 1 92 SER H 1 92 SER N 17226 2 69 . 1 1 93 93 LEU H H 1 . 1 1 93 93 LEU N N 15 0.830343213729 0.0163806552262 . . 1 93 LEU H 1 93 LEU N 17226 2 70 . 1 1 94 94 VAL H H 1 . 1 1 94 94 VAL N N 15 0.78177616375 0.0138659623638 . . 1 94 VAL H 1 94 VAL N 17226 2 71 . 1 1 95 95 ALA H H 1 . 1 1 95 95 ALA N N 15 0.820900900901 0.0151351351351 . . 1 95 ALA H 1 95 ALA N 17226 2 72 . 1 1 96 96 GLY H H 1 . 1 1 96 96 GLY N N 15 0.757691087853 0.0133206470029 . . 1 96 GLY H 1 96 GLY N 17226 2 73 . 1 1 97 97 HIS H H 1 . 1 1 97 97 HIS N N 15 0.783987316686 0.0166468489893 . . 1 97 HIS H 1 97 HIS N 17226 2 74 . 1 1 98 98 LEU H H 1 . 1 1 98 98 LEU N N 15 0.753904146473 0.0113085621971 . . 1 98 LEU H 1 98 LEU N 17226 2 75 . 1 1 99 99 ALA H H 1 . 1 1 99 99 ALA N N 15 0.774146054181 0.0123674911661 . . 1 99 ALA H 1 99 ALA N 17226 2 76 . 1 1 100 100 ASP H H 1 . 1 1 100 100 ASP N N 15 0.778582202112 0.0126696832579 . . 1 100 ASP H 1 100 ASP N 17226 2 77 . 1 1 101 101 ALA H H 1 . 1 1 101 101 ALA N N 15 0.759493670886 0.0177215189873 . . 1 101 ALA H 1 101 ALA N 17226 2 78 . 1 1 102 102 LEU H H 1 . 1 1 102 102 LEU N N 15 0.774460431655 0.0151079136691 . . 1 102 LEU H 1 102 LEU N 17226 2 79 . 1 1 103 103 THR H H 1 . 1 1 103 103 THR N N 15 0.777746793084 0.0117122141662 . . 1 103 THR H 1 103 THR N 17226 2 80 . 1 1 104 104 ALA H H 1 . 1 1 104 104 ALA N N 15 0.786605206074 0.0113882863341 . . 1 104 ALA H 1 104 ALA N 17226 2 81 . 1 1 105 105 ALA H H 1 . 1 1 105 105 ALA N N 15 0.767013888889 0.0145833333333 . . 1 105 ALA H 1 105 ALA N 17226 2 82 . 1 1 106 106 GLY H H 1 . 1 1 106 106 GLY N N 15 0.732595666206 0.0193637621024 . . 1 106 GLY H 1 106 GLY N 17226 2 83 . 1 1 112 112 ILE H H 1 . 1 1 112 112 ILE N N 15 0.796528173022 0.0119521912351 . . 1 112 ILE H 1 112 ILE N 17226 2 84 . 1 1 114 114 GLU H H 1 . 1 1 114 114 GLU N N 15 0.783571220507 0.0122341974949 . . 1 114 GLU H 1 114 GLU N 17226 2 85 . 1 1 115 115 ILE H H 1 . 1 1 115 115 ILE N N 15 0.768206734534 0.0164447924824 . . 1 115 ILE H 1 115 ILE N 17226 2 86 . 1 1 116 116 LEU H H 1 . 1 1 116 116 LEU N N 15 0.798279906177 0.0164190774042 . . 1 116 LEU H 1 116 LEU N 17226 2 87 . 1 1 117 117 GLY H H 1 . 1 1 117 117 GLY N N 15 0.803262642741 0.0137030995106 . . 1 117 GLY H 1 117 GLY N 17226 2 88 . 1 1 118 118 VAL H H 1 . 1 1 118 118 VAL N N 15 0.772036474164 0.0141843971631 . . 1 118 VAL H 1 118 VAL N 17226 2 89 . 1 1 119 119 ILE H H 1 . 1 1 119 119 ILE N N 15 0.74734900876 0.0193637621024 . . 1 119 ILE H 1 119 ILE N 17226 2 90 . 1 1 120 120 ALA H H 1 . 1 1 120 120 ALA N N 15 0.751068727392 0.0138112463006 . . 1 120 ALA H 1 120 ALA N 17226 2 91 . 1 1 122 122 LEU H H 1 . 1 1 122 122 LEU N N 15 0.810356892932 0.0146955913226 . . 1 122 LEU H 1 122 LEU N 17226 2 92 . 1 1 123 123 ALA H H 1 . 1 1 123 123 ALA N N 15 0.796595245084 0.012327560904 . . 1 123 ALA H 1 123 ALA N 17226 2 93 . 1 1 124 124 VAL H H 1 . 1 1 124 124 VAL N N 15 0.678384212149 0.0129509713228 . . 1 124 VAL H 1 124 VAL N 17226 2 94 . 1 1 125 125 ASP H H 1 . 1 1 125 125 ASP N N 15 0.658854166667 0.013671875 . . 1 125 ASP H 1 125 ASP N 17226 2 95 . 1 1 126 126 VAL H H 1 . 1 1 126 126 VAL N N 15 0.724938271605 0.0207407407407 . . 1 126 VAL H 1 126 VAL N 17226 2 96 . 1 1 127 127 THR H H 1 . 1 1 127 127 THR N N 15 0.743326488706 0.0172484599589 . . 1 127 THR H 1 127 THR N 17226 2 97 . 1 1 129 129 GLY H H 1 . 1 1 129 129 GLY N N 15 0.54845814978 0.0308370044053 . . 1 129 GLY H 1 129 GLY N 17226 2 98 . 1 1 130 130 GLU H H 1 . 1 1 130 130 GLU N N 15 0.325301204819 0.0129749768304 . . 1 130 GLU H 1 130 GLU N 17226 2 99 . 1 1 133 133 THR H H 1 . 1 1 133 133 THR N N 15 -0.373913043478 0.0280936454849 . . 1 133 THR H 1 133 THR N 17226 2 100 . 1 1 134 134 ALA H H 1 . 1 1 134 134 ALA N N 15 -0.70644312952 0.0069033530572 . . 1 134 ALA H 1 134 ALA N 17226 2 101 . 1 1 136 136 VAL H H 1 . 1 1 136 136 VAL N N 15 -1.53641444899 0.00350379577876 . . 1 136 VAL H 1 136 VAL N 17226 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_3 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_3 _Heteronucl_NOE_list.Entry_ID 17226 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 2.00E+07 _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 '2D 1H-15N HSQC' . . . 17226 3 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 4 $NMRView . . 17226 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 7 7 LEU H H 1 . 1 1 7 7 LEU N N 15 0.314996232102 0.0226073850791 . . 1 7 LEU H 1 7 LEU N 17226 3 2 . 1 1 11 11 GLU H H 1 . 1 1 11 11 GLU N N 15 0.365363735071 0.0162866449511 . . 1 11 GLU H 1 11 GLU N 17226 3 3 . 1 1 13 13 ILE H H 1 . 1 1 13 13 ILE N N 15 0.470540758676 0.0121065375303 . . 1 13 ILE H 1 13 ILE N 17226 3 4 . 1 1 14 14 SER H H 1 . 1 1 14 14 SER N N 15 0.619109947644 0.0196335078534 . . 1 14 SER H 1 14 SER N 17226 3 5 . 1 1 15 15 ILE H H 1 . 1 1 15 15 ILE N N 15 0.810868031052 0.0211714890614 . . 1 15 ILE H 1 15 ILE N 17226 3 6 . 1 1 16 16 TYR H H 1 . 1 1 16 16 TYR N N 15 0.8125 0.01875 . . 1 16 TYR H 1 16 TYR N 17226 3 7 . 1 1 17 17 ASP H H 1 . 1 1 17 17 ASP N N 15 0.844074844075 0.0155925155925 . . 1 17 ASP H 1 17 ASP N 17226 3 8 . 1 1 19 19 ILE H H 1 . 1 1 19 19 ILE N N 15 0.84977324263 0.0170068027211 . . 1 19 ILE H 1 19 ILE N 17226 3 9 . 1 1 20 20 GLY H H 1 . 1 1 20 20 GLY N N 15 0.809300140911 0.0140911225928 . . 1 20 GLY H 1 20 GLY N 17226 3 10 . 1 1 21 21 GLY H H 1 . 1 1 21 21 GLY N N 15 0.836113837095 0.0147203140334 . . 1 21 GLY H 1 21 GLY N 17226 3 11 . 1 1 22 22 HIS H H 1 . 1 1 22 22 HIS N N 15 0.869641808573 0.0176159718144 . . 1 22 HIS H 1 22 HIS N 17226 3 12 . 1 1 23 23 GLU H H 1 . 1 1 23 23 GLU N N 15 0.771222410866 0.0127334465195 . . 1 23 GLU H 1 23 GLU N 17226 3 13 . 1 1 24 24 ALA H H 1 . 1 1 24 24 ALA N N 15 0.788537549407 0.0098814229249 . . 1 24 ALA H 1 24 ALA N 17226 3 14 . 1 1 25 25 ILE H H 1 . 1 1 25 25 ILE N N 15 0.791558103179 0.0156331422616 . . 1 25 ILE H 1 25 ILE N 17226 3 15 . 1 1 26 26 GLU H H 1 . 1 1 26 26 GLU N N 15 0.811023622047 0.0196850393701 . . 1 26 GLU H 1 26 GLU N 17226 3 16 . 1 1 28 28 VAL H H 1 . 1 1 28 28 VAL N N 15 0.823129251701 0.0145772594752 . . 1 28 VAL H 1 28 VAL N 17226 3 17 . 1 1 30 30 GLU H H 1 . 1 1 30 30 GLU N N 15 0.904052165813 0.0139729855612 . . 1 30 GLU H 1 30 GLU N 17226 3 18 . 1 1 31 31 ASP H H 1 . 1 1 31 31 ASP N N 15 0.831996434938 0.0133689839572 . . 1 31 ASP H 1 31 ASP N 17226 3 19 . 1 1 32 32 PHE H H 1 . 1 1 32 32 PHE N N 15 0.841397849462 0.0134408602151 . . 1 32 PHE H 1 32 PHE N 17226 3 20 . 1 1 33 33 TYR H H 1 . 1 1 33 33 TYR N N 15 0.86467308667 0.0152052711607 . . 1 33 TYR H 1 33 TYR N 17226 3 21 . 1 1 34 34 VAL H H 1 . 1 1 34 34 VAL N N 15 0.809178743961 0.012077294686 . . 1 34 VAL H 1 34 VAL N 17226 3 22 . 1 1 35 35 ARG H H 1 . 1 1 35 35 ARG N N 15 0.817382307294 0.0155199172271 . . 1 35 ARG H 1 35 ARG N 17226 3 23 . 1 1 36 36 VAL H H 1 . 1 1 36 36 VAL N N 15 0.805696846389 0.0152594099695 . . 1 36 VAL H 1 36 VAL N 17226 3 24 . 1 1 37 37 LEU H H 1 . 1 1 37 37 LEU N N 15 0.866737176097 0.0158646218932 . . 1 37 LEU H 1 37 LEU N 17226 3 25 . 1 1 38 38 ALA H H 1 . 1 1 38 38 ALA N N 15 0.880068288519 0.0128040973111 . . 1 38 ALA H 1 38 ALA N 17226 3 26 . 1 1 39 39 ASP H H 1 . 1 1 39 39 ASP N N 15 0.841325811001 0.0105782792666 . . 1 39 ASP H 1 39 ASP N 17226 3 27 . 1 1 40 40 ASP H H 1 . 1 1 40 40 ASP N N 15 0.793465577596 0.0116686114352 . . 1 40 ASP H 1 40 ASP N 17226 3 28 . 1 1 41 41 GLN H H 1 . 1 1 41 41 GLN N N 15 0.80317577548 0.0110782865583 . . 1 41 GLN H 1 41 GLN N 17226 3 29 . 1 1 42 42 LEU H H 1 . 1 1 42 42 LEU N N 15 0.796330275229 0.0137614678899 . . 1 42 LEU H 1 42 LEU N 17226 3 30 . 1 1 43 43 SER H H 1 . 1 1 43 43 SER N N 15 0.816104078762 0.0105485232068 . . 1 43 SER H 1 43 SER N 17226 3 31 . 1 1 44 44 ALA H H 1 . 1 1 44 44 ALA N N 15 0.802334337349 0.0112951807229 . . 1 44 ALA H 1 44 ALA N 17226 3 32 . 1 1 45 45 PHE H H 1 . 1 1 45 45 PHE N N 15 0.865963266901 0.0117233294256 . . 1 45 PHE H 1 45 PHE N 17226 3 33 . 1 1 46 46 PHE H H 1 . 1 1 46 46 PHE N N 15 0.848421052632 0.0157894736842 . . 1 46 PHE H 1 46 PHE N 17226 3 34 . 1 1 47 47 SER H H 1 . 1 1 47 47 SER N N 15 0.824823465508 0.00814774579033 . . 1 47 SER H 1 47 SER N 17226 3 35 . 1 1 49 49 THR H H 1 . 1 1 49 49 THR N N 15 0.81036234338 0.0101591601761 . . 1 49 THR H 1 49 THR N 17226 3 36 . 1 1 51 51 MET H H 1 . 1 1 51 51 MET N N 15 0.821976149915 0.0255536626917 . . 1 51 MET H 1 51 MET N 17226 3 37 . 1 1 52 52 SER H H 1 . 1 1 52 52 SER N N 15 0.817453963171 0.0240192153723 . . 1 52 SER H 1 52 SER N 17226 3 38 . 1 1 53 53 ARG H H 1 . 1 1 53 53 ARG N N 15 0.791760977818 0.0135808057945 . . 1 53 ARG H 1 53 ARG N 17226 3 39 . 1 1 55 55 LYS H H 1 . 1 1 55 55 LYS N N 15 0.800870511425 0.0163220892274 . . 1 55 LYS H 1 55 LYS N 17226 3 40 . 1 1 56 56 GLY H H 1 . 1 1 56 56 GLY N N 15 0.831813576494 0.0151975683891 . . 1 56 GLY H 1 56 GLY N 17226 3 41 . 1 1 58 58 GLN H H 1 . 1 1 58 58 GLN N N 15 0.876002137894 0.0160342063068 . . 1 58 GLN H 1 58 GLN N 17226 3 42 . 1 1 59 59 VAL H H 1 . 1 1 59 59 VAL N N 15 0.780203784571 0.0145560407569 . . 1 59 VAL H 1 59 VAL N 17226 3 43 . 1 1 60 60 GLU H H 1 . 1 1 60 60 GLU N N 15 0.823811600523 0.0130832969908 . . 1 60 GLU H 1 60 GLU N 17226 3 44 . 1 1 61 61 PHE H H 1 . 1 1 61 61 PHE N N 15 0.880662445202 0.014612761812 . . 1 61 PHE H 1 61 PHE N 17226 3 45 . 1 1 62 62 PHE H H 1 . 1 1 62 62 PHE N N 15 0.868532206969 0.0158394931362 . . 1 62 PHE H 1 62 PHE N 17226 3 46 . 1 1 63 63 ALA H H 1 . 1 1 63 63 ALA N N 15 0.800256081946 0.0128040973111 . . 1 63 ALA H 1 63 ALA N 17226 3 47 . 1 1 64 64 ALA H H 1 . 1 1 64 64 ALA N N 15 0.830730265935 0.0126635711271 . . 1 64 ALA H 1 64 ALA N 17226 3 48 . 1 1 66 66 LEU H H 1 . 1 1 66 66 LEU N N 15 0.81489036206 0.0152983171851 . . 1 66 LEU H 1 66 LEU N 17226 3 49 . 1 1 67 67 GLY H H 1 . 1 1 67 67 GLY N N 15 0.821853961678 0.0155359917141 . . 1 67 GLY H 1 67 GLY N 17226 3 50 . 1 1 68 68 GLY H H 1 . 1 1 68 68 GLY N N 15 0.832139201638 0.0153531218014 . . 1 68 GLY H 1 68 GLY N 17226 3 51 . 1 1 70 70 GLU H H 1 . 1 1 70 70 GLU N N 15 0.765339578454 0.0140515222482 . . 1 70 GLU H 1 70 GLU N 17226 3 52 . 1 1 72 72 TYR H H 1 . 1 1 72 72 TYR N N 15 0.72516286645 0.0122149837134 . . 1 72 TYR H 1 72 TYR N 17226 3 53 . 1 1 73 73 THR H H 1 . 1 1 73 73 THR N N 15 0.749666221629 0.0200267022697 . . 1 73 THR H 1 73 THR N 17226 3 54 . 1 1 75 75 ALA H H 1 . 1 1 75 75 ALA N N 15 0.759340126152 0.0145560407569 . . 1 75 ALA H 1 75 ALA N 17226 3 55 . 1 1 77 77 MET H H 1 . 1 1 77 77 MET N N 15 0.86468401487 0.0223048327138 . . 1 77 MET H 1 77 MET N 17226 3 56 . 1 1 78 78 LYS H H 1 . 1 1 78 78 LYS N N 15 0.790178571429 0.0223214285714 . . 1 78 LYS H 1 78 LYS N 17226 3 57 . 1 1 79 79 GLN H H 1 . 1 1 79 79 GLN N N 15 0.668639053254 0.0118343195266 . . 1 79 GLN H 1 79 GLN N 17226 3 58 . 1 1 80 80 VAL H H 1 . 1 1 80 80 VAL N N 15 0.773303916161 0.0165471594043 . . 1 80 VAL H 1 80 VAL N 17226 3 59 . 1 1 81 81 HIS H H 1 . 1 1 81 81 HIS N N 15 0.756291390728 0.0397350993377 . . 1 81 HIS H 1 81 HIS N 17226 3 60 . 1 1 82 82 GLN H H 1 . 1 1 82 82 GLN N N 15 0.769739561802 0.0124018189334 . . 1 82 GLN H 1 82 GLN N 17226 3 61 . 1 1 83 83 GLY H H 1 . 1 1 83 83 GLY N N 15 0.77626459144 0.0145914396887 . . 1 83 GLY H 1 83 GLY N 17226 3 62 . 1 1 84 84 ARG H H 1 . 1 1 84 84 ARG N N 15 0.858147713951 0.0175849941383 . . 1 84 ARG H 1 84 ARG N 17226 3 63 . 1 1 85 85 GLY H H 1 . 1 1 85 85 GLY N N 15 0.830384117393 0.0129477772982 . . 1 85 GLY H 1 85 GLY N 17226 3 64 . 1 1 86 86 ILE H H 1 . 1 1 86 86 ILE N N 15 0.850678733032 0.0226244343891 . . 1 86 ILE H 1 86 ILE N 17226 3 65 . 1 1 87 87 THR H H 1 . 1 1 87 87 THR N N 15 0.828232593726 0.0114766641163 . . 1 87 THR H 1 87 THR N 17226 3 66 . 1 1 90 90 HIS H H 1 . 1 1 90 90 HIS N N 15 0.821850393701 0.0147637795276 . . 1 90 HIS H 1 90 HIS N 17226 3 67 . 1 1 91 91 PHE H H 1 . 1 1 91 91 PHE N N 15 0.850704225352 0.0105633802817 . . 1 91 PHE H 1 91 PHE N 17226 3 68 . 1 1 92 92 SER H H 1 . 1 1 92 92 SER N N 15 0.884395813511 0.0142721217888 . . 1 92 SER H 1 92 SER N 17226 3 69 . 1 1 93 93 LEU H H 1 . 1 1 93 93 LEU N N 15 0.821734985701 0.0142993326978 . . 1 93 LEU H 1 93 LEU N 17226 3 70 . 1 1 94 94 VAL H H 1 . 1 1 94 94 VAL N N 15 0.784989858012 0.0121703853955 . . 1 94 VAL H 1 94 VAL N 17226 3 71 . 1 1 95 95 ALA H H 1 . 1 1 95 95 ALA N N 15 0.855855855856 0.0135135135135 . . 1 95 ALA H 1 95 ALA N 17226 3 72 . 1 1 96 96 GLY H H 1 . 1 1 96 96 GLY N N 15 0.842725598527 0.0110497237569 . . 1 96 GLY H 1 96 GLY N 17226 3 73 . 1 1 97 97 HIS H H 1 . 1 1 97 97 HIS N N 15 0.843631178707 0.0142585551331 . . 1 97 HIS H 1 97 HIS N 17226 3 74 . 1 1 98 98 LEU H H 1 . 1 1 98 98 LEU N N 15 0.819863680623 0.00973709834469 . . 1 98 LEU H 1 98 LEU N 17226 3 75 . 1 1 99 99 ALA H H 1 . 1 1 99 99 ALA N N 15 0.879932829555 0.0125944584383 . . 1 99 ALA H 1 99 ALA N 17226 3 76 . 1 1 100 100 ASP H H 1 . 1 1 100 100 ASP N N 15 0.830968788002 0.0121605188488 . . 1 100 ASP H 1 100 ASP N 17226 3 77 . 1 1 101 101 ALA H H 1 . 1 1 101 101 ALA N N 15 0.820224719101 0.016051364366 . . 1 101 ALA H 1 101 ALA N 17226 3 78 . 1 1 102 102 LEU H H 1 . 1 1 102 102 LEU N N 15 0.830777096115 0.0153374233129 . . 1 102 LEU H 1 102 LEU N 17226 3 79 . 1 1 103 103 THR H H 1 . 1 1 103 103 THR N N 15 0.87173231091 0.0104566050889 . . 1 103 THR H 1 103 THR N 17226 3 80 . 1 1 104 104 ALA H H 1 . 1 1 104 104 ALA N N 15 0.837883959044 0.0102389078498 . . 1 104 ALA H 1 104 ALA N 17226 3 81 . 1 1 105 105 ALA H H 1 . 1 1 105 105 ALA N N 15 0.768615902398 0.0126209507783 . . 1 105 ALA H 1 105 ALA N 17226 3 82 . 1 1 106 106 GLY H H 1 . 1 1 106 106 GLY N N 15 0.778770949721 0.0167597765363 . . 1 106 GLY H 1 106 GLY N 17226 3 83 . 1 1 112 112 ILE H H 1 . 1 1 112 112 ILE N N 15 0.795212765957 0.00997340425532 . . 1 112 ILE H 1 112 ILE N 17226 3 84 . 1 1 114 114 GLU H H 1 . 1 1 114 114 GLU N N 15 0.874786178584 0.0102634279849 . . 1 114 GLU H 1 114 GLU N 17226 3 85 . 1 1 115 115 ILE H H 1 . 1 1 115 115 ILE N N 15 0.786641929499 0.0139146567718 . . 1 115 ILE H 1 115 ILE N 17226 3 86 . 1 1 116 116 LEU H H 1 . 1 1 116 116 LEU N N 15 0.834877384196 0.016348773842 . . 1 116 LEU H 1 116 LEU N 17226 3 87 . 1 1 117 117 GLY H H 1 . 1 1 117 117 GLY N N 15 0.843182696022 0.0115874855156 . . 1 117 GLY H 1 117 GLY N 17226 3 88 . 1 1 118 118 VAL H H 1 . 1 1 118 118 VAL N N 15 0.850122850123 0.012285012285 . . 1 118 VAL H 1 118 VAL N 17226 3 89 . 1 1 119 119 ILE H H 1 . 1 1 119 119 ILE N N 15 0.849449204406 0.0183598531212 . . 1 119 ILE H 1 119 ILE N 17226 3 90 . 1 1 120 120 ALA H H 1 . 1 1 120 120 ALA N N 15 0.856580673371 0.013117621338 . . 1 120 ALA H 1 120 ALA N 17226 3 91 . 1 1 122 122 LEU H H 1 . 1 1 122 122 LEU N N 15 0.821596244131 0.0128040973111 . . 1 122 LEU H 1 122 LEU N 17226 3 92 . 1 1 123 123 ALA H H 1 . 1 1 123 123 ALA N N 15 0.901587301587 0.0119047619048 . . 1 123 ALA H 1 123 ALA N 17226 3 93 . 1 1 124 124 VAL H H 1 . 1 1 124 124 VAL N N 15 0.756983240223 0.0119712689545 . . 1 124 VAL H 1 124 VAL N 17226 3 94 . 1 1 125 125 ASP H H 1 . 1 1 125 125 ASP N N 15 0.738528481013 0.0118670886076 . . 1 125 ASP H 1 125 ASP N 17226 3 95 . 1 1 126 126 VAL H H 1 . 1 1 126 126 VAL N N 15 0.818825194621 0.0212314225053 . . 1 126 VAL H 1 126 VAL N 17226 3 96 . 1 1 127 127 THR H H 1 . 1 1 127 127 THR N N 15 0.801859099804 0.0146771037182 . . 1 127 THR H 1 127 THR N 17226 3 97 . 1 1 129 129 GLY H H 1 . 1 1 129 129 GLY N N 15 0.604549431321 0.0262467191601 . . 1 129 GLY H 1 129 GLY N 17226 3 98 . 1 1 130 130 GLU H H 1 . 1 1 130 130 GLU N N 15 0.479737553068 0.0115785411038 . . 1 130 GLU H 1 130 GLU N 17226 3 99 . 1 1 133 133 THR H H 1 . 1 1 133 133 THR N N 15 0.00955882352941 0.0220588235294 . . 1 133 THR H 1 133 THR N 17226 3 100 . 1 1 134 134 ALA H H 1 . 1 1 134 134 ALA N N 15 -0.200037009623 0.00555144337528 . . 1 134 ALA H 1 134 ALA N 17226 3 101 . 1 1 136 136 VAL H H 1 . 1 1 136 136 VAL N N 15 -0.65769258907 0.00219474723828 . . 1 136 VAL H 1 136 VAL N 17226 3 stop_ save_