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 bmr26840_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.32 _LACS_plot.Line_1_terminator_val_y_1 -1.83 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.71 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.37 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 5.57 _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 99 HIS 4.95 8.02 0 12 VAL -0.01 -0.17 1 13 ASP 0.01 0.12 1 16 THR 1.15 0.66 1 17 GLU 1.22 0.98 1 18 ASN 1.41 1.12 1 19 LEU 1.18 0.66 1 20 TYR 2.78 2.00 1 21 PHE -0.80 -3.60 1 22 GLN 2.17 0.95 1 24 MET 3.49 1.22 1 25 ARG 4.18 2.72 1 26 ALA 3.23 2.33 1 27 GLN 4.40 3.21 1 28 LEU 1.01 1.81 1 29 ILE 1.92 1.15 1 30 GLU 3.79 2.93 1 31 ARG 2.47 2.09 1 33 GLN 3.02 2.60 1 34 LEU 1.66 1.06 1 35 ILE 4.40 3.46 1 36 ALA 3.19 1.23 1 37 GLU -0.15 -0.24 1 38 GLN 3.17 3.54 1 39 LEU 0.66 0.43 1 40 ALA 1.67 2.90 1 42 LEU 1.99 1.55 1 43 ALA -0.90 -0.08 1 44 ALA 5.82 4.85 1 45 THR 7.32 3.68 1 46 ALA 3.43 2.40 1 47 LEU 3.60 3.09 1 48 ALA 3.63 2.62 1 49 ARG -0.25 -0.08 1 50 LYS 4.76 1.68 1 51 ASP -0.30 -1.53 1 52 THR 5.83 4.11 1 53 ALA 4.11 3.07 1 54 VAL 4.95 3.97 1 55 LEU 3.51 2.57 1 56 ASN 4.12 4.21 1 57 ARG 5.42 3.91 1 58 ILE 4.22 4.06 1 59 ALA 5.07 3.04 1 60 ASN 3.53 3.99 1 61 GLU 3.06 2.72 1 62 ALA 2.76 1.80 1 63 LEU 2.02 1.05 1 64 ASP 1.15 0.87 1 65 GLN 1.16 0.22 1 67 ASP -0.63 -0.40 1 68 VAL 3.39 2.06 1 69 ARG 0.01 0.62 1 70 ALA -4.47 -0.32 1 71 VAL -4.75 -1.42 1 72 THR -3.10 -1.15 1 73 PHE -3.35 -0.43 1 74 LEU -6.32 -2.81 1 75 ASP -1.81 -1.57 1 76 ALA 4.96 3.70 1 77 ARG 0.97 -0.49 1 78 GLN 7.73 2.72 1 79 GLU -1.09 -1.09 1 80 ARG 2.23 2.05 1 81 LEU -3.48 -0.34 1 82 ALA -4.43 -0.51 1 83 HIS -3.99 0.99 1 84 ALA -3.76 -1.31 1 87 SER -0.08 -0.13 1 88 MET 3.05 0.65 1 89 LEU 1.26 0.45 1 90 THR 0.07 -0.10 1 91 VAL -1.38 1.38 1 92 ALA 0.42 1.34 1 94 ALA 3.13 2.74 1 96 ASP 0.10 0.66 1 97 ALA 1.64 1.12 1 98 SER 1.06 1.33 1 100 LEU -0.50 -1.17 1 101 SER 0.51 0.56 1 103 SER 0.12 0.66 1 104 THR 1.63 0.12 1 105 GLU -1.68 -2.01 1 106 LEU 0.71 0.67 1 107 ASP -0.24 0.13 1 108 THR -0.91 0.67 1 109 THR -3.19 -1.24 1 110 HIS -0.54 3.16 1 111 PHE -0.79 -1.50 1 112 LEU 0.09 -0.23 1 113 LEU 0.97 1.06 1 115 VAL 1.01 -0.10 1 116 LEU -6.09 -1.50 1 118 ARG 1.86 1.03 1 120 HIS -5.76 1.30 1 121 SER 2.28 1.81 1 122 LEU 1.46 0.88 1 123 SER 1.08 0.50 1 125 ALA -0.52 -0.28 1 126 THR 0.44 0.27 1 127 GLU -1.01 -0.24 1 129 ASP 2.65 2.04 1 130 ASP 2.68 2.25 1 131 GLU 1.19 0.87 1 132 ARG -0.22 0.20 1 133 VAL 1.93 1.12 1 134 LEU -0.97 0.27 1 136 TRP -4.99 -1.06 1 137 VAL -3.42 -1.47 1 138 GLU -6.31 -2.98 1 139 LEU 0.32 -1.18 1 140 GLU -1.51 -1.17 1 141 LEU -3.76 -0.59 1 142 SER 0.78 2.03 1 143 HIS -1.55 1.43 1 144 HIS -0.55 0.68 1 146 THR 0.07 -0.06 1 147 LEU 0.07 0.14 1 148 LEU 0.17 0.21 1 149 ARG 0.80 -0.02 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26840_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.32 _LACS_plot.Line_1_terminator_val_y_1 4.49 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.29 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.63 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 -2.15 _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 99 HIS 4.95 3.07 0 12 VAL -0.01 -0.16 1 13 ASP 0.01 0.11 1 16 THR 1.15 -0.49 1 17 GLU 1.22 -0.24 1 18 ASN 1.41 -0.29 1 19 LEU 1.18 -0.52 1 20 TYR 2.78 -0.78 1 21 PHE -0.80 -2.80 1 22 GLN 2.17 -1.22 1 24 MET 3.49 -2.27 1 25 ARG 4.18 -1.46 1 26 ALA 3.23 -0.90 1 27 GLN 4.40 -1.19 1 28 LEU 1.01 0.80 1 29 ILE 1.92 -0.77 1 30 GLU 3.79 -0.86 1 31 ARG 2.47 -0.38 1 33 GLN 3.02 -0.42 1 34 LEU 1.66 -0.60 1 35 ILE 4.40 -0.94 1 36 ALA 3.19 -1.96 1 37 GLU -0.15 -0.09 1 38 GLN 3.17 0.37 1 39 LEU 0.66 -0.23 1 40 ALA 1.67 1.23 1 42 LEU 1.99 -0.44 1 43 ALA -0.90 0.82 1 44 ALA 5.82 -0.97 1 45 THR 7.32 -3.64 1 46 ALA 3.43 -1.03 1 47 LEU 3.60 -0.51 1 48 ALA 3.63 -1.01 1 49 ARG -0.25 0.17 1 50 LYS 4.76 -3.08 1 51 ASP -0.30 -1.23 1 52 THR 5.83 -1.72 1 53 ALA 4.11 -1.04 1 54 VAL 4.95 -0.98 1 55 LEU 3.51 -0.94 1 56 ASN 4.12 0.09 1 57 ARG 5.42 -1.51 1 58 ILE 4.22 -0.16 1 59 ALA 5.07 -2.03 1 60 ASN 3.53 0.46 1 61 GLU 3.06 -0.34 1 62 ALA 2.76 -0.96 1 63 LEU 2.02 -0.97 1 64 ASP 1.15 -0.28 1 65 GLN 1.16 -0.94 1 67 ASP -0.63 0.23 1 68 VAL 3.39 -1.33 1 69 ARG 0.01 0.61 1 70 ALA -4.47 4.15 1 71 VAL -4.75 3.33 1 72 THR -3.10 1.95 1 73 PHE -3.35 2.92 1 74 LEU -6.32 3.51 1 75 ASP -1.81 0.24 1 76 ALA 4.96 -1.26 1 77 ARG 0.97 -1.46 1 78 GLN 7.73 -5.01 1 79 GLU -1.09 0.00 1 80 ARG 2.23 -0.18 1 81 LEU -3.48 3.14 1 82 ALA -4.43 3.92 1 83 HIS -3.99 4.98 1 84 ALA -3.76 2.45 1 87 SER -0.08 -0.05 1 88 MET 3.05 -2.40 1 89 LEU 1.26 -0.81 1 90 THR 0.07 -0.17 1 91 VAL -1.38 2.76 1 92 ALA 0.42 0.92 1 94 ALA 3.13 -0.39 1 96 ASP 0.10 0.56 1 97 ALA 1.64 -0.52 1 98 SER 1.06 0.27 1 100 LEU -0.50 -0.67 1 101 SER 0.51 0.05 1 103 SER 0.12 0.54 1 104 THR 1.63 -1.51 1 105 GLU -1.68 -0.33 1 106 LEU 0.71 -0.04 1 107 ASP -0.24 0.37 1 108 THR -0.91 1.58 1 109 THR -3.19 1.95 1 110 HIS -0.54 3.70 1 111 PHE -0.79 -0.71 1 112 LEU 0.09 -0.32 1 113 LEU 0.97 0.09 1 115 VAL 1.01 -1.11 1 116 LEU -6.09 4.59 1 118 ARG 1.86 -0.83 1 120 HIS -5.76 7.06 1 121 SER 2.28 -0.47 1 122 LEU 1.46 -0.58 1 123 SER 1.08 -0.58 1 125 ALA -0.52 0.24 1 126 THR 0.44 -0.17 1 127 GLU -1.01 0.77 1 129 ASP 2.65 -0.61 1 130 ASP 2.68 -0.43 1 131 GLU 1.19 -0.32 1 132 ARG -0.22 0.42 1 133 VAL 1.93 -0.81 1 134 LEU -0.97 1.24 1 136 TRP -4.99 3.93 1 137 VAL -3.42 1.95 1 138 GLU -6.31 3.33 1 139 LEU 0.32 -1.50 1 140 GLU -1.51 0.34 1 141 LEU -3.76 3.17 1 142 SER 0.78 1.25 1 143 HIS -1.55 2.98 1 144 HIS -0.55 1.23 1 146 THR 0.07 -0.13 1 147 LEU 0.07 0.07 1 148 LEU 0.17 0.04 1 149 ARG 0.80 -0.82 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26840_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.32 _LACS_plot.Line_1_terminator_val_y_1 0.64 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.13 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 -0.78 _LACS_plot.Y_axis_chem_shift_offset 0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 120 HIS -5.76 -0.17 0 110 HIS -0.54 -1.00 0 139 LEU 0.32 0.98 0 12 VAL -0.01 -0.08 1 13 ASP 0.01 -0.07 1 16 THR 1.15 -0.18 1 17 GLU 1.22 -0.18 1 18 ASN 1.41 -0.13 1 19 LEU 1.18 -0.09 1 20 TYR 2.78 -0.27 1 21 PHE -0.80 -0.67 1 22 GLN 2.17 -0.12 1 24 MET 3.49 -0.24 1 25 ARG 4.18 -0.35 1 26 ALA 3.23 0.13 1 27 GLN 4.40 -0.39 1 28 LEU 1.01 -0.24 1 29 ILE 1.92 -0.59 1 30 GLU 3.79 -0.41 1 31 ARG 2.47 -0.38 1 33 GLN 3.02 -0.22 1 34 LEU 1.66 -0.27 1 35 ILE 4.40 -0.57 1 36 ALA 3.19 0.37 1 37 GLU -0.15 0.05 1 38 GLN 3.17 -0.32 1 39 LEU 0.66 -0.06 1 40 ALA 1.67 -0.39 1 42 LEU 1.99 -0.21 1 43 ALA -0.90 -0.54 1 44 ALA 5.82 -0.78 1 45 THR 7.32 -0.32 1 46 ALA 3.43 -0.31 1 47 LEU 3.60 -0.59 1 48 ALA 3.63 -0.54 1 49 ARG -0.25 -0.09 1 50 LYS 4.76 -0.93 1 51 ASP -0.30 0.02 1 52 THR 5.83 -0.10 1 53 ALA 4.11 -0.09 1 54 VAL 4.95 -0.59 1 55 LEU 3.51 -0.83 1 56 ASN 4.12 -0.49 1 57 ARG 5.42 -0.26 1 58 ILE 4.22 -0.50 1 59 ALA 5.07 -0.54 1 60 ASN 3.53 -0.69 1 61 GLU 3.06 -0.38 1 62 ALA 2.76 -0.20 1 63 LEU 2.02 -0.52 1 64 ASP 1.15 -0.14 1 65 GLN 1.16 -0.24 1 67 ASP -0.63 -0.08 1 68 VAL 3.39 -0.30 1 69 ARG 0.01 -0.01 1 70 ALA -4.47 0.35 1 71 VAL -4.75 0.45 1 72 THR -3.10 0.76 1 73 PHE -3.35 0.93 1 74 LEU -6.32 0.98 1 75 ASP -1.81 0.15 1 76 ALA 4.96 -0.10 1 77 ARG 0.97 0.07 1 78 GLN 7.73 -0.94 1 79 GLU -1.09 0.03 1 80 ARG 2.23 -0.35 1 81 LEU -3.48 0.22 1 82 ALA -4.43 0.36 1 83 HIS -3.99 0.68 1 84 ALA -3.76 0.23 1 87 SER -0.08 -0.01 1 88 MET 3.05 -0.21 1 89 LEU 1.26 -0.01 1 90 THR 0.07 -0.03 1 91 VAL -1.38 -0.06 1 92 ALA 0.42 -0.72 1 94 ALA 3.13 -0.33 1 96 ASP 0.10 -0.31 1 97 ALA 1.64 -0.24 1 98 SER 1.06 -0.28 1 99 HIS 4.95 -0.17 1 100 LEU -0.50 -0.12 1 101 SER 0.51 -0.14 1 103 SER 0.12 -0.13 1 104 THR 1.63 -0.07 1 105 GLU -1.68 -0.12 1 106 LEU 0.71 -0.31 1 107 ASP -0.24 -0.16 1 108 THR -0.91 0.36 1 109 THR -3.19 0.49 1 111 PHE -0.79 0.00 1 112 LEU 0.09 -0.03 1 113 LEU 0.97 -0.63 1 115 VAL 1.01 0.10 1 116 LEU -6.09 0.77 1 118 ARG 1.86 -0.06 1 121 SER 2.28 -0.35 1 122 LEU 1.46 -0.09 1 123 SER 1.08 -0.13 1 125 ALA -0.52 -0.06 1 126 THR 0.44 -0.17 1 127 GLU -1.01 -0.05 1 129 ASP 2.65 -0.28 1 130 ASP 2.68 -0.28 1 131 GLU 1.19 -0.35 1 132 ARG -0.22 -0.11 1 133 VAL 1.93 -0.27 1 134 LEU -0.97 -0.13 1 136 TRP -4.99 0.64 1 137 VAL -3.42 0.40 1 138 GLU -6.31 1.08 1 140 GLU -1.51 0.87 1 141 LEU -3.76 0.97 1 142 SER 0.78 0.16 1 143 HIS -1.55 -0.46 1 144 HIS -0.55 -0.12 1 146 THR 0.07 -0.11 1 147 LEU 0.07 -0.07 1 148 LEU 0.17 -0.10 1 149 ARG 0.80 -0.06 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26840_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.32 _LACS_plot.Line_1_terminator_val_y_1 -2.32 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.82 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.85 _LACS_plot.Line_2_terminator_val_x_2 7.72 _LACS_plot.Line_2_terminator_val_y_2 3.25 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 116 LEU -6.09 2.69 0 78 GLN 7.73 -1.91 0 120 HIS -5.76 3.00 0 12 VAL -0.01 -0.66 1 13 ASP 0.01 1.91 1 16 THR 1.15 0.61 1 18 ASN 1.41 0.82 1 19 LEU 1.18 0.86 1 20 TYR 2.78 1.06 1 21 PHE -0.80 0.21 1 22 GLN 2.17 0.41 1 24 MET 3.49 0.73 1 25 ARG 4.18 2.27 1 26 ALA 3.23 2.75 1 27 GLN 4.40 2.52 1 28 LEU 1.01 0.94 1 29 ILE 1.92 -0.75 1 30 GLU 3.79 2.41 1 31 ARG 2.47 2.87 1 33 GLN 3.02 1.53 1 35 ILE 4.40 0.81 1 36 ALA 3.19 2.54 1 37 GLU -0.15 -1.64 1 38 GLN 3.17 3.73 1 39 LEU 0.66 -0.11 1 40 ALA 1.67 -0.10 1 42 LEU 1.99 0.84 1 43 ALA -0.90 -0.21 1 44 ALA 5.82 0.32 1 45 THR 7.32 3.50 1 46 ALA 3.43 2.49 1 47 LEU 3.60 2.53 1 48 ALA 3.63 -1.73 1 49 ARG -0.25 -1.30 1 50 LYS 4.76 -1.69 1 51 ASP -0.30 0.03 1 52 THR 5.83 2.92 1 53 ALA 4.11 3.75 1 54 VAL 4.95 1.63 1 55 LEU 3.51 0.60 1 56 ASN 4.12 2.43 1 57 ARG 5.42 2.51 1 58 ILE 4.22 -0.04 1 59 ALA 5.07 -0.44 1 60 ASN 3.53 3.42 1 61 GLU 3.06 3.04 1 62 ALA 2.76 0.17 1 63 LEU 2.02 -0.43 1 64 ASP 1.15 1.14 1 65 GLN 1.16 0.18 1 67 ASP -0.63 0.16 1 68 VAL 3.39 -1.72 1 70 ALA -4.47 -2.88 1 71 VAL -4.75 -3.17 1 72 THR -3.10 -1.79 1 73 PHE -3.35 -0.91 1 74 LEU -6.32 -1.34 1 75 ASP -1.81 1.52 1 76 ALA 4.96 -1.81 1 77 ARG 0.97 -0.96 1 79 GLU -1.09 0.57 1 80 ARG 2.23 0.34 1 81 LEU -3.48 -1.12 1 82 ALA -4.43 -2.61 1 83 HIS -3.99 -1.96 1 84 ALA -3.76 -2.95 1 87 SER -0.08 0.67 1 88 MET 3.05 0.88 1 89 LEU 1.26 -0.96 1 90 THR 0.07 -0.22 1 91 VAL -1.38 -3.17 1 92 ALA 0.42 -0.63 1 94 ALA 3.13 1.75 1 96 ASP 0.10 3.26 1 97 ALA 1.64 0.41 1 98 SER 1.06 -0.10 1 99 HIS 4.95 4.63 1 100 LEU -0.50 -1.14 1 101 SER 0.51 3.13 1 103 SER 0.12 0.84 1 104 THR 1.63 3.29 1 105 GLU -1.68 -1.92 1 106 LEU 0.71 0.69 1 107 ASP -0.24 0.00 1 108 THR -0.91 -0.96 1 109 THR -3.19 1.35 1 110 HIS -0.54 2.63 1 111 PHE -0.79 0.12 1 112 LEU 0.09 -1.15 1 113 LEU 0.97 2.60 1 115 VAL 1.01 -0.95 1 118 ARG 1.86 -1.74 1 121 SER 2.28 3.54 1 122 LEU 1.46 0.23 1 123 SER 1.08 0.55 1 125 ALA -0.52 -0.17 1 126 THR 0.44 -0.31 1 127 GLU -1.01 -0.45 1 129 ASP 2.65 1.88 1 130 ASP 2.68 2.52 1 131 GLU 1.19 -0.69 1 132 ARG -0.22 1.63 1 133 VAL 1.93 1.37 1 134 LEU -0.97 -1.15 1 136 TRP -4.99 -1.24 1 137 VAL -3.42 -3.20 1 138 GLU -6.31 -1.71 1 139 LEU 0.32 -1.84 1 140 GLU -1.51 2.54 1 141 LEU -3.76 -1.46 1 142 SER 0.78 -1.24 1 143 HIS -1.55 2.65 1 144 HIS -0.55 1.35 1 146 THR 0.07 -0.15 1 147 LEU 0.07 -0.58 1 148 LEU 0.17 -0.60 1 149 ARG 0.80 -0.64 1 stop_ save_