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 bmr25125_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.99 _LACS_plot.Line_1_terminator_val_y_1 -2.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.34 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.16 _LACS_plot.Line_2_terminator_val_x_2 7.22 _LACS_plot.Line_2_terminator_val_y_2 5.21 _LACS_plot.Y_axis_chem_shift_offset -0.28 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 84 HIS 3.68 4.70 0 106 PHE -5.06 -4.26 0 15 ILE 3.01 0.10 0 80 ILE -2.08 -2.94 0 10 ASP -2.46 0.55 1 11 ASP 0.55 1.52 1 12 ASP -0.96 -0.90 1 13 SER 3.94 2.89 1 14 SER 4.68 3.43 1 16 ARG 6.02 5.57 1 17 TRP 3.25 2.94 1 18 VAL 4.77 3.51 1 19 LEU 3.34 2.72 1 20 GLU 4.82 4.01 1 21 ARG 3.50 2.45 1 22 ALA 1.95 2.08 1 23 LEU 5.36 2.62 1 24 ALA 3.65 2.25 1 26 ALA -0.60 -0.98 1 28 LEU -1.54 -1.46 1 29 THR 1.01 0.68 1 31 THR -0.62 0.15 1 32 THR -3.75 -2.63 1 33 PHE -4.88 -1.17 1 34 GLU -1.48 0.09 1 35 ASN -3.37 -0.95 1 37 ASN 4.75 3.43 1 38 GLU 1.40 2.03 1 39 VAL 4.57 2.74 1 40 LEU 4.17 2.84 1 41 ALA 3.38 2.15 1 42 ALA 2.23 2.53 1 43 LEU 0.25 0.45 1 44 ALA 2.32 1.74 1 45 SER -1.25 0.36 1 46 LYS -3.82 -0.69 1 47 THR -2.78 -1.99 1 49 ASP 0.84 2.25 1 50 VAL -3.38 -1.64 1 51 LEU -5.99 -1.88 1 52 LEU -2.90 -0.78 1 53 SER -5.02 -2.35 1 54 ASP -0.94 0.29 1 55 ILE 0.21 0.44 1 56 ARG -0.02 -0.56 1 57 MET -1.22 -0.17 1 60 MET -1.96 -0.35 1 61 ASP -0.44 -0.47 1 63 LEU 2.94 1.78 1 64 ALA 3.22 2.12 1 65 LEU 4.08 2.92 1 66 LEU 4.41 3.25 1 67 LYS 4.49 3.60 1 68 GLN 4.16 3.37 1 69 ILE 6.00 4.78 1 70 LYS 2.78 0.89 1 71 GLN 3.23 2.49 1 72 ARG 0.32 1.22 1 73 HIS -1.64 -0.08 1 75 MET 0.48 -1.13 1 76 LEU -1.98 0.01 1 78 VAL -3.40 -2.01 1 79 ILE -2.74 -1.58 1 81 MET -4.47 -1.89 1 82 THR -2.43 -2.24 1 83 ALA -0.01 0.04 1 85 SER 2.63 1.52 1 86 ASP -1.17 -0.27 1 87 LEU 2.83 2.74 1 88 ASP 3.58 2.61 1 89 ALA 2.49 1.65 1 90 ALA 2.88 2.16 1 91 VAL 4.24 2.98 1 92 SER 3.09 2.35 1 93 ALA 2.62 1.82 1 94 TYR 1.72 1.35 1 95 GLN 3.08 1.77 1 96 GLN 1.39 0.47 1 98 ALA -0.20 -0.33 1 99 PHE 0.92 1.76 1 100 ASP -4.82 -1.72 1 101 TYR -5.01 -1.91 1 102 LEU -5.96 -2.60 1 104 LYS -3.12 -0.98 1 107 ASP -2.46 -0.96 1 108 ILE 2.94 1.89 1 109 ASP 4.34 3.29 1 110 GLU 2.79 2.23 1 111 ALA 3.39 2.67 1 112 VAL 6.29 4.94 1 113 ALA 3.56 2.33 1 114 LEU 3.49 2.92 1 115 VAL 7.23 5.00 1 116 GLU 4.13 3.33 1 117 ARG 3.90 3.28 1 118 ALA 3.02 2.08 1 119 ILE 3.57 2.57 1 120 SER 1.94 1.52 1 121 HIS 1.81 2.24 1 122 TYR 0.75 0.55 1 123 GLN -0.56 -0.19 1 124 GLU 0.36 1.42 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25125_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.99 _LACS_plot.Line_1_terminator_val_y_1 3.30 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.66 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.84 _LACS_plot.Line_2_terminator_val_x_2 7.22 _LACS_plot.Line_2_terminator_val_y_2 -2.01 _LACS_plot.Y_axis_chem_shift_offset -0.28 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 84 HIS 3.68 1.02 0 106 PHE -5.06 0.80 0 15 ILE 3.01 -2.91 0 80 ILE -2.08 -0.86 0 10 ASP -2.46 3.01 1 11 ASP 0.55 0.97 1 12 ASP -0.96 0.06 1 13 SER 3.94 -1.05 1 14 SER 4.68 -1.25 1 16 ARG 6.02 -0.45 1 17 TRP 3.25 -0.31 1 18 VAL 4.77 -1.26 1 19 LEU 3.34 -0.62 1 20 GLU 4.82 -0.81 1 21 ARG 3.50 -1.05 1 22 ALA 1.95 0.13 1 23 LEU 5.36 -2.74 1 24 ALA 3.65 -1.40 1 26 ALA -0.60 -0.38 1 28 LEU -1.54 0.08 1 29 THR 1.01 -0.33 1 31 THR -0.62 0.77 1 32 THR -3.75 1.12 1 33 PHE -4.88 3.71 1 34 GLU -1.48 1.57 1 35 ASN -3.37 2.42 1 37 ASN 4.75 -1.32 1 38 GLU 1.40 0.63 1 39 VAL 4.57 -1.83 1 40 LEU 4.17 -1.33 1 41 ALA 3.38 -1.23 1 42 ALA 2.23 0.30 1 43 LEU 0.25 0.20 1 44 ALA 2.32 -0.58 1 45 SER -1.25 1.61 1 46 LYS -3.82 3.13 1 47 THR -2.78 0.79 1 49 ASP 0.84 1.41 1 50 VAL -3.38 1.74 1 51 LEU -5.99 4.11 1 52 LEU -2.90 2.12 1 53 SER -5.02 2.67 1 54 ASP -0.94 1.23 1 55 ILE 0.21 0.23 1 56 ARG -0.02 -0.54 1 57 MET -1.22 1.05 1 60 MET -1.96 1.61 1 61 ASP -0.44 -0.03 1 63 LEU 2.94 -1.16 1 64 ALA 3.22 -1.10 1 65 LEU 4.08 -1.16 1 66 LEU 4.41 -1.16 1 67 LYS 4.49 -0.89 1 68 GLN 4.16 -0.79 1 69 ILE 6.00 -1.22 1 70 LYS 2.78 -1.89 1 71 GLN 3.23 -0.74 1 72 ARG 0.32 0.90 1 73 HIS -1.64 1.56 1 75 MET 0.48 -1.61 1 76 LEU -1.98 1.99 1 78 VAL -3.40 1.39 1 79 ILE -2.74 1.16 1 81 MET -4.47 2.58 1 82 THR -2.43 0.19 1 83 ALA -0.01 0.05 1 85 SER 2.63 -1.11 1 86 ASP -1.17 0.90 1 87 LEU 2.83 -0.09 1 88 ASP 3.58 -0.97 1 89 ALA 2.49 -0.84 1 90 ALA 2.88 -0.72 1 91 VAL 4.24 -1.26 1 92 SER 3.09 -0.74 1 93 ALA 2.62 -0.80 1 94 TYR 1.72 -0.37 1 95 GLN 3.08 -1.31 1 96 GLN 1.39 -0.92 1 98 ALA -0.20 -0.13 1 99 PHE 0.92 0.84 1 100 ASP -4.82 3.10 1 101 TYR -5.01 3.10 1 102 LEU -5.96 3.36 1 104 LYS -3.12 2.14 1 107 ASP -2.46 1.50 1 108 ILE 2.94 -1.05 1 109 ASP 4.34 -1.05 1 110 GLU 2.79 -0.56 1 111 ALA 3.39 -0.72 1 112 VAL 6.29 -1.35 1 113 ALA 3.56 -1.23 1 114 LEU 3.49 -0.57 1 115 VAL 7.23 -2.23 1 116 GLU 4.13 -0.80 1 117 ARG 3.90 -0.62 1 118 ALA 3.02 -0.94 1 119 ILE 3.57 -1.00 1 120 SER 1.94 -0.42 1 121 HIS 1.81 0.43 1 122 TYR 0.75 -0.20 1 123 GLN -0.56 0.37 1 124 GLU 0.36 1.06 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25125_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.99 _LACS_plot.Line_1_terminator_val_y_1 0.47 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.18 _LACS_plot.Line_2_terminator_val_x_2 7.22 _LACS_plot.Line_2_terminator_val_y_2 -0.69 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 100 ASP -4.82 -0.14 0 43 LEU 0.25 0.87 0 102 LEU -5.96 0.04 0 52 LEU -2.90 1.16 0 39 VAL 4.57 -1.35 0 10 ASP -2.46 -0.07 1 11 ASP 0.55 -0.10 1 12 ASP -0.96 0.01 1 13 SER 3.94 -0.71 1 14 SER 4.68 -0.11 1 15 ILE 3.01 -0.23 1 16 ARG 6.02 -0.62 1 17 TRP 3.25 -0.19 1 18 VAL 4.77 -0.45 1 19 LEU 3.34 -0.26 1 20 GLU 4.82 -0.41 1 21 ARG 3.50 -0.45 1 22 ALA 1.95 -0.22 1 23 LEU 5.36 -0.34 1 24 ALA 3.65 0.31 1 26 ALA -0.60 0.18 1 28 LEU -1.54 0.24 1 29 THR 1.01 -0.02 1 31 THR -0.62 0.08 1 32 THR -3.75 0.98 1 33 PHE -4.88 0.02 1 34 GLU -1.48 0.00 1 35 ASN -3.37 0.04 1 37 ASN 4.75 -0.38 1 38 GLU 1.40 -0.28 1 40 LEU 4.17 -0.41 1 41 ALA 3.38 -0.18 1 42 ALA 2.23 -0.12 1 44 ALA 2.32 -0.09 1 45 SER -1.25 0.27 1 46 LYS -3.82 0.27 1 47 THR -2.78 -0.33 1 49 ASP 0.84 -0.20 1 50 VAL -3.38 0.16 1 51 LEU -5.99 0.98 1 53 SER -5.02 1.12 1 54 ASP -0.94 0.69 1 55 ILE 0.21 0.01 1 56 ARG -0.02 0.16 1 57 MET -1.22 0.08 1 60 MET -1.96 0.05 1 61 ASP -0.44 0.06 1 63 LEU 2.94 -0.16 1 64 ALA 3.22 -0.26 1 65 LEU 4.08 -0.28 1 66 LEU 4.41 -0.48 1 67 LYS 4.49 -0.34 1 68 GLN 4.16 -0.28 1 69 ILE 6.00 -0.64 1 70 LYS 2.78 -0.36 1 71 GLN 3.23 -0.35 1 72 ARG 0.32 -0.31 1 73 HIS -1.64 -0.07 1 75 MET 0.48 0.09 1 76 LEU -1.98 -0.38 1 78 VAL -3.40 0.90 1 79 ILE -2.74 0.31 1 80 ILE -2.08 0.69 1 81 MET -4.47 1.04 1 82 THR -2.43 0.56 1 83 ALA -0.01 0.39 1 84 HIS 3.68 -0.46 1 85 SER 2.63 -0.27 1 86 ASP -1.17 0.30 1 87 LEU 2.83 -0.42 1 88 ASP 3.58 -0.37 1 89 ALA 2.49 -0.23 1 90 ALA 2.88 -0.39 1 91 VAL 4.24 -0.51 1 92 SER 3.09 -0.24 1 93 ALA 2.62 -0.26 1 94 TYR 1.72 -0.06 1 95 GLN 3.08 -0.30 1 96 GLN 1.39 0.00 1 98 ALA -0.20 0.06 1 99 PHE 0.92 -0.27 1 101 TYR -5.01 0.90 1 104 LYS -3.12 -0.10 1 106 PHE -5.06 0.55 1 107 ASP -2.46 0.19 1 108 ILE 2.94 -0.21 1 109 ASP 4.34 -0.25 1 110 GLU 2.79 -0.28 1 111 ALA 3.39 -0.57 1 112 VAL 6.29 -0.95 1 113 ALA 3.56 -0.18 1 114 LEU 3.49 -0.26 1 115 VAL 7.23 -0.91 1 116 GLU 4.13 -0.56 1 117 ARG 3.90 -0.28 1 118 ALA 3.02 -0.86 1 119 ILE 3.57 -0.44 1 120 SER 1.94 -0.19 1 121 HIS 1.81 -0.31 1 122 TYR 0.75 -0.12 1 123 GLN -0.56 -0.07 1 124 GLU 0.36 -0.31 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25125_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.99 _LACS_plot.Line_1_terminator_val_y_1 -3.15 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.73 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.12 _LACS_plot.Line_2_terminator_val_x_2 7.22 _LACS_plot.Line_2_terminator_val_y_2 2.97 _LACS_plot.Y_axis_chem_shift_offset 0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 50 VAL -3.38 -4.85 0 24 ALA 3.65 5.34 0 10 ASP -2.46 -1.27 1 11 ASP 0.55 -0.61 1 12 ASP -0.96 0.74 1 13 SER 3.94 1.56 1 14 SER 4.68 1.80 1 15 ILE 3.01 1.46 1 16 ARG 6.02 1.15 1 18 VAL 4.77 2.88 1 19 LEU 3.34 0.18 1 20 GLU 4.82 2.00 1 21 ARG 3.50 3.38 1 22 ALA 1.95 2.70 1 23 LEU 5.36 1.28 1 26 ALA -0.60 -0.85 1 28 LEU -1.54 -1.72 1 29 THR 1.01 -1.51 1 31 THR -0.62 -2.09 1 32 THR -3.75 -2.39 1 33 PHE -4.88 -1.46 1 34 GLU -1.48 -1.19 1 35 ASN -3.37 -0.06 1 37 ASN 4.75 3.49 1 38 GLU 1.40 2.66 1 39 VAL 4.57 0.13 1 40 LEU 4.17 1.94 1 41 ALA 3.38 2.73 1 42 ALA 2.23 2.40 1 43 LEU 0.25 -0.18 1 44 ALA 2.32 0.89 1 45 SER -1.25 -1.30 1 46 LYS -3.82 -3.88 1 49 ASP 0.84 -0.67 1 51 LEU -5.99 -4.50 1 52 LEU -2.90 -2.19 1 53 SER -5.02 0.04 1 54 ASP -0.94 0.52 1 55 ILE 0.21 -1.32 1 56 ARG -0.02 -0.64 1 60 MET -1.96 -2.34 1 61 ASP -0.44 0.46 1 63 LEU 2.94 0.76 1 64 ALA 3.22 2.76 1 65 LEU 4.08 0.59 1 66 LEU 4.41 1.03 1 67 LYS 4.49 2.66 1 68 GLN 4.16 3.07 1 69 ILE 6.00 1.02 1 70 LYS 2.78 1.45 1 71 GLN 3.23 1.37 1 72 ARG 0.32 -0.47 1 75 MET 0.48 -0.25 1 78 VAL -3.40 -0.86 1 79 ILE -2.74 -1.92 1 80 ILE -2.08 -1.37 1 81 MET -4.47 -1.77 1 82 THR -2.43 -2.12 1 85 SER 2.63 -0.09 1 86 ASP -1.17 -0.42 1 87 LEU 2.83 -0.01 1 88 ASP 3.58 1.95 1 89 ALA 2.49 1.55 1 90 ALA 2.88 0.89 1 91 VAL 4.24 2.11 1 92 SER 3.09 1.23 1 93 ALA 2.62 1.11 1 94 TYR 1.72 1.49 1 95 GLN 3.08 0.98 1 96 GLN 1.39 -0.15 1 98 ALA -0.20 -1.81 1 101 TYR -5.01 -2.74 1 106 PHE -5.06 -0.58 1 107 ASP -2.46 1.48 1 108 ILE 2.94 -0.35 1 109 ASP 4.34 3.49 1 110 GLU 2.79 2.44 1 111 ALA 3.39 0.69 1 112 VAL 6.29 0.90 1 114 LEU 3.49 0.87 1 115 VAL 7.23 1.15 1 116 GLU 4.13 2.97 1 117 ARG 3.90 2.14 1 118 ALA 3.02 0.94 1 119 ILE 3.57 0.97 1 120 SER 1.94 0.48 1 121 HIS 1.81 0.93 1 122 TYR 0.75 -0.62 1 123 GLN -0.56 -1.47 1 stop_ save_