data_LACS ################################# # LACS Output Information # ################################# ############################################################ # LACS Designator Definition # # # # Index Value Definition # # # # 0 Outliers # # 1 Normal points # # # ############################################################ save_LACS_CACB_CA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15557_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.80 _LACS_plot.Line_1_terminator_val_y_1 -2.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.78 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.78 _LACS_plot.Line_2_terminator_val_x_2 6.69 _LACS_plot.Line_2_terminator_val_y_2 5.32 _LACS_plot.Y_axis_chem_shift_offset 0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 29 MET -6.80 -0.60 0 67 PHE -6.30 -0.10 0 10 GLU 3.70 3.40 1 11 SER 2.30 1.50 1 12 VAL 6.30 4.80 1 13 ARG 5.60 4.40 1 15 ALA 3.50 2.60 1 16 ILE 4.60 2.20 1 17 ASP 4.00 3.30 1 18 ASP 4.00 3.30 1 19 LEU 4.60 3.30 1 20 ARG 4.50 3.70 1 21 MET 0.20 -0.40 1 22 LYS 6.30 1.70 1 23 LYS 1.50 1.40 1 24 SER -4.30 -2.60 1 25 ARG -3.00 -1.60 1 26 TYR -5.50 -2.30 1 27 VAL -3.80 -0.40 1 28 MET -2.90 -0.10 1 31 ILE 1.10 0.60 1 33 ALA 3.20 2.60 1 34 ASP 0.20 -0.70 1 36 LYS 0.40 1.50 1 37 LYS -5.70 -2.00 1 38 ILE 0.40 0.20 1 39 GLU -6.80 -3.10 1 40 VAL 1.70 1.10 1 41 THR 2.00 1.30 1 42 GLU -3.60 0.40 1 43 VAL -2.50 -1.00 1 45 GLU -0.10 0.10 1 46 ARG 2.40 1.60 1 47 SER 1.50 0.90 1 48 VAL 2.50 1.80 1 49 ASN -4.10 -1.60 1 50 TYR 5.90 5.10 1 51 THR 5.50 4.00 1 52 ASP 2.50 2.50 1 53 LEU 2.10 0.80 1 54 LYS 4.60 3.30 1 55 GLU 0.80 0.70 1 56 LYS 1.10 0.30 1 57 PHE 2.10 0.80 1 58 SER 2.30 1.50 1 59 THR 4.20 2.70 1 60 GLU -2.40 -0.60 1 61 LYS -3.90 -1.00 1 64 TYR -5.50 -2.80 1 65 VAL -4.50 -1.30 1 66 ALA -2.70 -1.80 1 68 ASP 0.20 -0.90 1 69 PHE -1.40 1.20 1 70 GLU -4.30 -1.90 1 71 TYR -3.20 -2.20 1 72 ASN -2.40 -0.80 1 73 ASP -2.90 -1.00 1 74 ALA 2.50 0.50 1 76 SER -1.90 -1.00 1 77 LYS 1.60 0.80 1 78 ARG -4.70 -2.50 1 79 GLU -5.20 -2.10 1 80 LYS -5.80 -2.00 1 81 LEU 2.60 0.00 1 82 ILE -4.80 -1.60 1 83 LEU -3.90 -1.80 1 84 ILE -0.30 0.60 1 85 GLN -0.40 -1.30 1 86 TRP -3.30 -2.60 1 87 ILE -0.90 -1.10 1 89 ASP 3.10 3.10 1 90 THR 0.40 -0.40 1 91 ALA -0.20 -0.50 1 92 ARG 2.30 1.30 1 94 ARG 4.60 3.60 1 95 GLU 3.20 3.20 1 96 LYS 6.30 5.20 1 97 MET 3.70 3.40 1 98 MET 3.10 3.40 1 99 TYR 4.70 4.10 1 100 SER 4.50 3.20 1 101 ALA 2.00 1.90 1 102 SER 1.20 1.00 1 103 ARG 4.00 3.30 1 104 ASP 3.20 2.20 1 105 ALA 3.10 2.10 1 106 LEU -0.10 -0.20 1 107 SER 5.50 4.00 1 108 SER 3.40 2.60 1 109 VAL -0.90 -1.20 1 110 SER -0.40 -0.70 1 111 GLU 3.10 2.30 1 113 TYR -1.30 -0.90 1 114 LEU -3.10 -0.60 1 116 ILE -4.20 -1.90 1 117 GLN -0.60 0.00 1 118 ALA -3.20 -0.60 1 119 ASN -3.10 -0.90 1 120 ASP -2.60 -1.30 1 121 GLU 4.30 3.80 1 122 SER 5.50 3.70 1 124 LEU -3.30 -2.50 1 125 ASP -0.50 1.20 1 126 ALA 3.80 3.40 1 127 GLU 3.50 2.70 1 128 GLU 1.80 1.00 1 129 ILE 6.70 4.00 1 130 ILE 5.80 5.20 1 131 ARG 4.90 4.40 1 132 LYS 4.00 3.80 1 133 VAL 5.80 4.30 1 134 ARG 4.20 3.70 1 135 LEU 2.00 1.90 1 136 HIS -0.05 0.98 1 137 ARG 1.70 1.30 1 138 SER 1.70 1.40 1 139 VAL 1.70 1.30 1 140 ALA 1.30 1.00 1 141 ALA 1.00 0.80 1 142 ALA 0.80 0.60 1 143 LEU 0.60 0.50 1 144 GLU -0.10 0.30 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15557_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.80 _LACS_plot.Line_1_terminator_val_y_1 4.14 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.22 _LACS_plot.Line_2_terminator_val_x_2 6.69 _LACS_plot.Line_2_terminator_val_y_2 -1.37 _LACS_plot.Y_axis_chem_shift_offset 0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 29 MET -6.80 6.20 0 67 PHE -6.30 6.20 0 10 GLU 3.70 -0.30 1 11 SER 2.30 -0.80 1 12 VAL 6.30 -1.50 1 13 ARG 5.60 -1.20 1 15 ALA 3.50 -0.90 1 16 ILE 4.60 -2.40 1 17 ASP 4.00 -0.70 1 18 ASP 4.00 -0.70 1 19 LEU 4.60 -1.30 1 20 ARG 4.50 -0.80 1 21 MET 0.20 -0.60 1 22 LYS 6.30 -4.60 1 23 LYS 1.50 -0.10 1 24 SER -4.30 1.70 1 25 ARG -3.00 1.40 1 26 TYR -5.50 3.20 1 27 VAL -3.80 3.40 1 28 MET -2.90 2.80 1 31 ILE 1.10 -0.50 1 33 ALA 3.20 -0.60 1 34 ASP 0.20 -0.90 1 36 LYS 0.40 1.10 1 37 LYS -5.70 3.70 1 38 ILE 0.40 -0.20 1 39 GLU -6.80 3.70 1 40 VAL 1.70 -0.60 1 41 THR 2.00 -0.70 1 42 GLU -3.60 4.00 1 43 VAL -2.50 1.50 1 45 GLU -0.10 0.20 1 46 ARG 2.40 -0.80 1 47 SER 1.50 -0.60 1 48 VAL 2.50 -0.70 1 49 ASN -4.10 2.50 1 50 TYR 5.90 -0.80 1 51 THR 5.50 -1.50 1 52 ASP 2.50 0.00 1 53 LEU 2.10 -1.30 1 54 LYS 4.60 -1.30 1 55 GLU 0.80 -0.10 1 56 LYS 1.10 -0.80 1 57 PHE 2.10 -1.30 1 58 SER 2.30 -0.80 1 59 THR 4.20 -1.50 1 60 GLU -2.40 1.80 1 61 LYS -3.90 2.90 1 64 TYR -5.50 2.70 1 65 VAL -4.50 3.20 1 66 ALA -2.70 0.90 1 68 ASP 0.20 -1.10 1 69 PHE -1.40 2.60 1 70 GLU -4.30 2.40 1 71 TYR -3.20 1.00 1 72 ASN -2.40 1.60 1 73 ASP -2.90 1.90 1 74 ALA 2.50 -2.00 1 76 SER -1.90 0.90 1 77 LYS 1.60 -0.80 1 78 ARG -4.70 2.20 1 79 GLU -5.20 3.10 1 80 LYS -5.80 3.80 1 81 LEU 2.60 -2.60 1 82 ILE -4.80 3.20 1 83 LEU -3.90 2.10 1 84 ILE -0.30 0.90 1 85 GLN -0.40 -0.90 1 86 TRP -3.30 0.70 1 87 ILE -0.90 -0.20 1 89 ASP 3.10 0.00 1 90 THR 0.40 -0.80 1 91 ALA -0.20 -0.30 1 92 ARG 2.30 -1.00 1 94 ARG 4.60 -1.00 1 95 GLU 3.20 0.00 1 96 LYS 6.30 -1.10 1 97 MET 3.70 -0.30 1 98 MET 3.10 0.30 1 99 TYR 4.70 -0.60 1 100 SER 4.50 -1.30 1 101 ALA 2.00 -0.10 1 102 SER 1.20 -0.20 1 103 ARG 4.00 -0.70 1 104 ASP 3.20 -1.00 1 105 ALA 3.10 -1.00 1 106 LEU -0.10 -0.10 1 107 SER 5.50 -1.50 1 108 SER 3.40 -0.80 1 109 VAL -0.90 -0.30 1 110 SER -0.40 -0.30 1 111 GLU 3.10 -0.80 1 113 TYR -1.30 0.40 1 114 LEU -3.10 2.50 1 116 ILE -4.20 2.30 1 117 GLN -0.60 0.60 1 118 ALA -3.20 2.60 1 119 ASN -3.10 2.20 1 120 ASP -2.60 1.30 1 121 GLU 4.30 -0.50 1 122 SER 5.50 -1.80 1 124 LEU -3.30 0.80 1 125 ASP -0.50 1.70 1 126 ALA 3.80 -0.40 1 127 GLU 3.50 -0.80 1 128 GLU 1.80 -0.80 1 129 ILE 6.70 -2.70 1 130 ILE 5.80 -0.60 1 131 ARG 4.90 -0.50 1 132 LYS 4.00 -0.20 1 133 VAL 5.80 -1.50 1 134 ARG 4.20 -0.50 1 135 LEU 2.00 -0.10 1 136 HIS -0.05 1.03 1 137 ARG 1.70 -0.40 1 138 SER 1.70 -0.30 1 139 VAL 1.70 -0.40 1 140 ALA 1.30 -0.30 1 141 ALA 1.00 -0.20 1 142 ALA 0.80 -0.20 1 143 LEU 0.60 -0.10 1 144 GLU -0.10 0.40 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15557_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.80 _LACS_plot.Line_1_terminator_val_y_1 0.76 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.27 _LACS_plot.Line_2_terminator_val_x_2 6.69 _LACS_plot.Line_2_terminator_val_y_2 -0.65 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 66 ALA -2.70 1.15 0 64 TYR -5.50 1.44 0 10 GLU 3.70 -0.33 1 11 SER 2.30 -0.13 1 12 VAL 6.30 -0.77 1 13 ARG 5.60 -0.71 1 15 ALA 3.50 -0.11 1 16 ILE 4.60 -0.46 1 17 ASP 4.00 -0.05 1 18 ASP 4.00 -0.33 1 19 LEU 4.60 -0.19 1 20 ARG 4.50 -0.41 1 21 MET 0.20 -0.02 1 22 LYS 6.30 -0.47 1 23 LYS 1.50 -0.15 1 24 SER -4.30 -0.06 1 25 ARG -3.00 0.00 1 26 TYR -5.50 0.99 1 27 VAL -3.80 0.53 1 28 MET -2.90 0.86 1 29 MET -6.80 1.15 1 31 ILE 1.10 0.34 1 33 ALA 3.20 -0.25 1 34 ASP 0.20 -0.19 1 36 LYS 0.40 0.02 1 37 LYS -5.70 1.11 1 38 ILE 0.40 0.16 1 39 GLU -6.80 0.32 1 40 VAL 1.70 -0.02 1 41 THR 2.00 0.15 1 42 GLU -3.60 0.15 1 43 VAL -2.50 0.39 1 45 GLU -0.10 -0.10 1 46 ARG 2.40 -0.57 1 47 SER 1.50 -0.22 1 48 VAL 2.50 -0.14 1 49 ASN -4.10 0.53 1 50 TYR 5.90 -0.53 1 51 THR 5.50 -0.12 1 52 ASP 2.50 -0.27 1 53 LEU 2.10 -0.63 1 54 LYS 4.60 -0.76 1 55 GLU 0.80 -0.29 1 56 LYS 1.10 -0.35 1 58 SER 2.30 -0.13 1 59 THR 4.20 0.12 1 60 GLU -2.40 0.00 1 65 VAL -4.50 1.19 1 67 PHE -6.30 0.63 1 68 ASP 0.20 0.46 1 69 PHE -1.40 0.04 1 70 GLU -4.30 0.91 1 71 TYR -3.20 0.12 1 72 ASN -2.40 0.17 1 73 ASP -2.90 0.19 1 74 ALA 2.50 -0.32 1 76 SER -1.90 0.22 1 77 LYS 1.60 0.05 1 78 ARG -4.70 0.17 1 79 GLU -5.20 1.19 1 80 LYS -5.80 0.39 1 81 LEU 2.60 0.49 1 82 ILE -4.80 1.18 1 83 LEU -3.90 0.92 1 84 ILE -0.30 0.33 1 85 GLN -0.40 0.43 1 86 TRP -3.30 0.65 1 89 ASP 3.10 -0.45 1 90 THR 0.40 -0.25 1 91 ALA -0.20 -0.05 1 94 ARG 4.60 -0.27 1 95 GLU 3.20 -0.08 1 96 LYS 6.30 -0.70 1 97 MET 3.70 -0.33 1 98 MET 3.10 -0.30 1 99 TYR 4.70 -0.40 1 100 SER 4.50 -0.24 1 101 ALA 2.00 -0.03 1 102 SER 1.20 0.08 1 103 ARG 4.00 -0.59 1 104 ASP 3.20 -0.17 1 105 ALA 3.10 -0.21 1 106 LEU -0.10 -0.28 1 107 SER 5.50 -0.50 1 108 SER 3.40 -0.17 1 109 VAL -0.90 0.54 1 110 SER -0.40 -0.15 1 111 GLU 3.10 -0.14 1 113 TYR -1.30 -0.28 1 116 ILE -4.20 0.05 1 117 GLN -0.60 0.59 1 118 ALA -3.20 0.41 1 119 ASN -3.10 -0.13 1 120 ASP -2.60 -0.05 1 121 GLU 4.30 -0.52 1 122 SER 5.50 -0.24 1 124 LEU -3.30 -0.19 1 125 ASP -0.50 -0.35 1 126 ALA 3.80 -0.53 1 127 GLU 3.50 -0.34 1 128 GLU 1.80 0.00 1 129 ILE 6.70 -0.95 1 130 ILE 5.80 -1.25 1 131 ARG 4.90 -0.52 1 132 LYS 4.00 -0.35 1 133 VAL 5.80 -0.68 1 134 ARG 4.20 -0.40 1 137 ARG 1.70 -0.17 1 138 SER 1.70 -0.10 1 139 VAL 1.70 -0.11 1 140 ALA 1.30 -0.14 1 141 ALA 1.00 -0.11 1 142 ALA 0.80 -0.10 1 143 LEU 0.60 -0.11 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15557_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.80 _LACS_plot.Line_1_terminator_val_y_1 -2.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.74 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.94 _LACS_plot.Line_2_terminator_val_x_2 6.69 _LACS_plot.Line_2_terminator_val_y_2 2.54 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 107 SER 5.50 -4.30 0 10 GLU 3.70 0.90 1 11 SER 2.30 1.70 1 12 VAL 6.30 0.60 1 13 ARG 5.60 2.10 1 15 ALA 3.50 3.10 1 16 ILE 4.60 2.60 1 17 ASP 4.00 2.10 1 18 ASP 4.00 2.00 1 19 LEU 4.60 2.40 1 20 ARG 4.50 2.10 1 21 MET 0.20 -1.30 1 22 LYS 6.30 -0.70 1 23 LYS 1.50 -1.00 1 24 SER -4.30 -1.90 1 25 ARG -3.00 -2.90 1 26 TYR -5.50 -3.10 1 27 VAL -3.80 -1.70 1 28 MET -2.90 -1.40 1 29 MET -6.80 -1.80 1 31 ILE 1.10 0.80 1 33 ALA 3.20 0.90 1 34 ASP 0.20 1.10 1 36 LYS 0.40 0.30 1 37 LYS -5.70 -0.80 1 38 ILE 0.40 -2.80 1 39 GLU -6.80 -1.10 1 40 VAL 1.70 0.80 1 41 THR 2.00 0.60 1 42 GLU -3.60 -3.50 1 43 VAL -2.50 -0.20 1 45 GLU -0.10 -0.10 1 46 ARG 2.40 -0.20 1 47 SER 1.50 0.20 1 48 VAL 2.50 -1.30 1 49 ASN -4.10 1.00 1 50 TYR 5.90 0.90 1 51 THR 5.50 1.20 1 52 ASP 2.50 1.80 1 53 LEU 2.10 0.20 1 54 LYS 4.60 1.50 1 55 GLU 0.80 0.30 1 56 LYS 1.10 0.40 1 57 PHE 2.10 -0.40 1 58 SER 2.30 1.70 1 59 THR 4.20 -0.60 1 60 GLU -2.40 -0.40 1 61 LYS -3.90 -2.90 1 64 TYR -5.50 0.30 1 65 VAL -4.50 -1.00 1 66 ALA -2.70 -1.60 1 67 PHE -6.30 -3.00 1 68 ASP 0.20 -3.20 1 69 PHE -1.40 -2.40 1 70 GLU -4.30 -1.60 1 71 TYR -3.20 -4.20 1 72 ASN -2.40 -1.00 1 73 ASP -2.90 -1.10 1 74 ALA 2.50 -0.60 1 76 SER -1.90 -1.90 1 77 LYS 1.60 -0.70 1 78 ARG -4.70 -2.30 1 79 GLU -5.20 -0.70 1 80 LYS -5.80 -1.90 1 81 LEU 2.60 -0.50 1 82 ILE -4.80 -2.90 1 83 LEU -3.90 -2.60 1 84 ILE -0.30 -0.80 1 85 GLN -0.40 -2.90 1 86 TRP -3.30 -2.80 1 87 ILE -0.90 -3.60 1 89 ASP 3.10 0.60 1 90 THR 0.40 0.30 1 91 ALA -0.20 -2.20 1 92 ARG 2.30 1.80 1 94 ARG 4.60 2.40 1 95 GLU 3.20 2.40 1 96 LYS 6.30 2.40 1 97 MET 3.70 2.40 1 98 MET 3.10 3.00 1 99 TYR 4.70 4.10 1 100 SER 4.50 2.30 1 101 ALA 2.00 1.80 1 102 SER 1.20 -0.80 1 103 ARG 4.00 1.70 1 104 ASP 3.20 1.90 1 105 ALA 3.10 1.40 1 106 LEU -0.10 1.70 1 108 SER 3.40 1.30 1 109 VAL -0.90 -0.70 1 110 SER -0.40 -0.60 1 111 GLU 3.10 1.50 1 113 TYR -1.30 -0.20 1 114 LEU -3.10 0.10 1 116 ILE -4.20 -2.10 1 117 GLN -0.60 -1.00 1 118 ALA -3.20 -3.60 1 119 ASN -3.10 0.70 1 120 ASP -2.60 -0.70 1 121 GLU 4.30 2.40 1 122 SER 5.50 2.30 1 124 LEU -3.30 0.20 1 125 ASP -0.50 1.10 1 126 ALA 3.80 1.00 1 127 GLU 3.50 3.00 1 128 GLU 1.80 1.50 1 129 ILE 6.70 1.70 1 130 ILE 5.80 0.70 1 131 ARG 4.90 3.10 1 132 LYS 4.00 3.00 1 133 VAL 5.80 2.40 1 134 ARG 4.20 2.70 1 135 LEU 2.00 0.90 1 136 HIS -0.05 2.71 1 137 ARG 1.70 0.90 1 138 SER 1.70 0.70 1 139 VAL 1.70 -2.30 1 140 ALA 1.30 0.60 1 141 ALA 1.00 0.40 1 142 ALA 0.80 0.40 1 143 LEU 0.60 0.20 1 144 GLU -0.10 -0.20 1 stop_ save_