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 bmr25975_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.54 _LACS_plot.Line_1_terminator_val_y_1 -3.19 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.11 _LACS_plot.Line_2_terminator_val_x_2 4.58 _LACS_plot.Line_2_terminator_val_y_2 3.13 _LACS_plot.Y_axis_chem_shift_offset -0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 96 HIS 3.92 3.76 0 63 VAL -2.75 -2.65 0 73 MET -5.14 -0.19 0 12 ILE -0.58 -0.41 1 13 LEU -0.32 0.02 1 14 LEU 0.01 0.14 1 15 VAL 0.78 0.72 1 16 SER 0.61 0.61 1 17 GLU -1.07 -0.39 1 18 MET 1.21 1.10 1 19 GLU -3.55 -0.37 1 20 GLU -0.39 -0.01 1 21 LEU 1.17 1.02 1 22 LYS 1.14 0.77 1 23 ALA -0.02 0.12 1 24 ASN -0.48 0.14 1 26 ASN 0.42 0.49 1 29 ALA -1.78 -0.09 1 30 VAL -7.01 -3.16 1 32 THR -4.35 -1.52 1 33 VAL 0.47 0.17 1 34 ILE 1.86 1.60 1 35 GLU -4.29 -1.45 1 36 ALA -4.02 0.08 1 37 LYS -2.83 -0.59 1 38 LEU -0.59 -0.69 1 39 ASP -4.93 -1.12 1 40 LYS 4.48 3.52 1 42 ARG -1.21 0.79 1 45 VAL -3.99 -1.26 1 46 ALA -6.18 -1.92 1 47 THR 1.67 0.47 1 48 LEU -3.15 -1.85 1 49 LEU -3.24 -1.43 1 50 VAL 3.76 2.34 1 51 GLN -0.15 1.24 1 52 ALA -3.27 -0.34 1 54 THR -2.93 -0.52 1 55 LEU -4.89 -1.25 1 56 LYS -3.81 -1.05 1 57 VAL 4.59 3.52 1 59 ASP 1.90 1.53 1 61 ILE -6.08 -1.55 1 62 VAL -1.61 -0.31 1 65 THR 0.49 -0.31 1 66 THR -2.07 -1.55 1 67 TYR -3.47 -1.84 1 69 ARG -3.11 -1.02 1 70 VAL 3.86 2.65 1 71 ARG 1.40 1.36 1 72 ALA -3.42 -0.92 1 74 VAL -4.53 -1.94 1 75 ASN -1.85 -1.66 1 76 ASP 3.34 2.14 1 77 SER -0.16 -0.02 1 79 ARG -1.33 -1.00 1 80 ARG 1.20 0.57 1 81 VAL -5.54 -2.68 1 82 LYS -0.39 0.53 1 83 GLU -5.54 -2.05 1 84 ALA -4.60 -0.22 1 87 SER 3.56 2.20 1 88 MET -1.87 0.21 1 90 VAL -6.77 -3.39 1 91 GLU -3.31 -1.46 1 92 ILE -5.49 -2.29 1 93 THR -3.60 -2.14 1 95 LEU -0.77 -0.26 1 97 ASP -6.02 -2.95 1 98 VAL 1.33 1.30 1 100 GLN -3.40 -1.50 1 101 ALA 2.69 1.48 1 103 ASP 0.66 1.44 1 104 ARG -1.75 -1.11 1 105 PHE -8.54 -2.93 1 106 MET -4.35 -0.08 1 107 VAL -0.26 0.19 1 108 PHE -3.45 -0.17 1 109 GLU 0.65 0.57 1 110 ASP -1.74 -0.60 1 111 GLU 1.45 1.53 1 112 LYS 3.01 2.01 1 113 LYS 1.55 1.04 1 114 ALA 1.58 1.27 1 115 ARG 1.97 1.40 1 116 GLN 1.82 1.53 1 117 ILE 2.12 1.27 1 119 GLU 0.66 0.86 1 120 ALA 0.56 0.51 1 121 ARG 0.90 0.57 1 122 ALA 0.07 0.21 1 123 GLN 0.06 0.27 1 124 ARG 0.45 0.30 1 125 GLN 0.70 1.86 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25975_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.54 _LACS_plot.Line_1_terminator_val_y_1 5.35 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.89 _LACS_plot.Line_2_terminator_val_x_2 4.58 _LACS_plot.Line_2_terminator_val_y_2 -1.45 _LACS_plot.Y_axis_chem_shift_offset -0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 96 HIS 3.92 -0.16 0 63 VAL -2.75 0.10 0 73 MET -5.14 4.95 0 12 ILE -0.58 0.17 1 13 LEU -0.32 0.34 1 14 LEU 0.01 0.13 1 15 VAL 0.78 -0.06 1 16 SER 0.61 0.00 1 17 GLU -1.07 0.68 1 18 MET 1.21 -0.11 1 19 GLU -3.55 3.18 1 20 GLU -0.39 0.38 1 21 LEU 1.17 -0.15 1 22 LYS 1.14 -0.37 1 23 ALA -0.02 0.14 1 24 ASN -0.48 0.62 1 26 ASN 0.42 0.07 1 29 ALA -1.78 1.69 1 30 VAL -7.01 3.85 1 32 THR -4.35 2.83 1 33 VAL 0.47 -0.30 1 34 ILE 1.86 -0.26 1 35 GLU -4.29 2.84 1 36 ALA -4.02 4.10 1 37 LYS -2.83 2.24 1 38 LEU -0.59 -0.10 1 39 ASP -4.93 3.81 1 40 LYS 4.48 -0.96 1 42 ARG -1.21 2.00 1 45 VAL -3.99 2.73 1 46 ALA -6.18 4.26 1 47 THR 1.67 -1.20 1 48 LEU -3.15 1.30 1 49 LEU -3.24 1.81 1 50 VAL 3.76 -1.42 1 51 GLN -0.15 1.39 1 52 ALA -3.27 2.93 1 54 THR -2.93 2.41 1 55 LEU -4.89 3.64 1 56 LYS -3.81 2.76 1 57 VAL 4.59 -1.07 1 59 ASP 1.90 -0.37 1 61 ILE -6.08 4.53 1 62 VAL -1.61 1.30 1 65 THR 0.49 -0.80 1 66 THR -2.07 0.52 1 67 TYR -3.47 1.63 1 69 ARG -3.11 2.09 1 70 VAL 3.86 -1.21 1 71 ARG 1.40 -0.04 1 72 ALA -3.42 2.50 1 74 VAL -4.53 2.59 1 75 ASN -1.85 0.19 1 76 ASP 3.34 -1.20 1 77 SER -0.16 0.14 1 79 ARG -1.33 0.33 1 80 ARG 1.20 -0.63 1 81 VAL -5.54 2.86 1 82 LYS -0.39 0.92 1 83 GLU -5.54 3.49 1 84 ALA -4.60 4.38 1 87 SER 3.56 -1.36 1 88 MET -1.87 2.08 1 90 VAL -6.77 3.38 1 91 GLU -3.31 1.85 1 92 ILE -5.49 3.20 1 93 THR -3.60 1.46 1 95 LEU -0.77 0.51 1 97 ASP -6.02 3.07 1 98 VAL 1.33 -0.03 1 100 GLN -3.40 1.90 1 101 ALA 2.69 -1.21 1 103 ASP 0.66 0.78 1 104 ARG -1.75 0.64 1 105 PHE -8.54 5.61 1 106 MET -4.35 4.27 1 107 VAL -0.26 0.45 1 108 PHE -3.45 3.28 1 109 GLU 0.65 -0.08 1 110 ASP -1.74 1.14 1 111 GLU 1.45 0.08 1 112 LYS 3.01 -1.00 1 113 LYS 1.55 -0.51 1 114 ALA 1.58 -0.31 1 115 ARG 1.97 -0.57 1 116 GLN 1.82 -0.29 1 117 ILE 2.12 -0.85 1 119 GLU 0.66 0.20 1 120 ALA 0.56 -0.05 1 121 ARG 0.90 -0.33 1 122 ALA 0.07 0.14 1 123 GLN 0.06 0.21 1 124 ARG 0.45 -0.15 1 125 GLN 0.70 1.16 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25975_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.54 _LACS_plot.Line_1_terminator_val_y_1 1.16 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.34 _LACS_plot.Line_2_terminator_val_x_2 4.58 _LACS_plot.Line_2_terminator_val_y_2 -0.50 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 97 ASP -6.02 0.18 0 112 LYS 3.01 0.47 0 47 THR 1.67 0.73 0 105 PHE -8.54 1.55 0 92 ILE -5.49 1.54 0 12 ILE -0.58 -0.27 1 13 LEU -0.32 0.14 1 14 LEU 0.01 0.08 1 15 VAL 0.78 0.01 1 16 SER 0.61 -0.01 1 17 GLU -1.07 -0.01 1 20 GLU -0.39 -0.19 1 21 LEU 1.17 -0.09 1 22 LYS 1.14 -0.09 1 23 ALA -0.02 -0.01 1 24 ASN -0.48 -0.07 1 26 ASN 0.42 0.03 1 29 ALA -1.78 0.82 1 30 VAL -7.01 0.46 1 32 THR -4.35 1.19 1 33 VAL 0.47 0.17 1 34 ILE 1.86 0.02 1 35 GLU -4.29 0.23 1 36 ALA -4.02 0.73 1 37 LYS -2.83 0.32 1 38 LEU -0.59 0.00 1 39 ASP -4.93 0.23 1 40 LYS 4.48 -0.39 1 42 ARG -1.21 0.13 1 45 VAL -3.99 0.73 1 46 ALA -6.18 0.82 1 48 LEU -3.15 0.62 1 49 LEU -3.24 0.16 1 50 VAL 3.76 -0.24 1 51 GLN -0.15 0.22 1 52 ALA -3.27 0.14 1 54 THR -2.93 1.07 1 55 LEU -4.89 0.21 1 56 LYS -3.81 0.79 1 57 VAL 4.59 -0.72 1 59 ASP 1.90 0.06 1 61 ILE -6.08 1.13 1 62 VAL -1.61 0.55 1 63 VAL -2.75 0.77 1 65 THR 0.49 0.19 1 66 THR -2.07 0.72 1 67 TYR -3.47 0.92 1 69 ARG -3.11 0.84 1 70 VAL 3.86 -0.33 1 71 ARG 1.40 0.07 1 72 ALA -3.42 0.12 1 73 MET -5.14 0.80 1 74 VAL -4.53 0.85 1 75 ASN -1.85 0.29 1 76 ASP 3.34 -0.25 1 77 SER -0.16 0.23 1 79 ARG -1.33 0.12 1 80 ARG 1.20 0.52 1 81 VAL -5.54 0.65 1 82 LYS -0.39 0.22 1 83 GLU -5.54 0.94 1 84 ALA -4.60 0.43 1 87 SER 3.56 -0.36 1 88 MET -1.87 0.26 1 90 VAL -6.77 0.83 1 91 GLU -3.31 0.82 1 93 THR -3.60 0.53 1 95 LEU -0.77 0.10 1 96 HIS 3.92 -0.52 1 98 VAL 1.33 -0.52 1 100 GLN -3.40 0.13 1 101 ALA 2.69 -0.67 1 103 ASP 0.66 -0.04 1 104 ARG -1.75 0.78 1 106 MET -4.35 0.68 1 107 VAL -0.26 0.75 1 108 PHE -3.45 0.24 1 109 GLU 0.65 -0.08 1 110 ASP -1.74 0.07 1 111 GLU 1.45 -0.18 1 113 LYS 1.55 -0.15 1 114 ALA 1.58 -0.40 1 115 ARG 1.97 -0.56 1 116 GLN 1.82 0.39 1 117 ILE 2.12 -0.15 1 119 GLU 0.66 -0.12 1 120 ALA 0.56 0.00 1 121 ARG 0.90 -0.03 1 123 GLN 0.06 0.03 1 124 ARG 0.45 0.01 1 125 GLN 0.70 -0.12 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25975_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.54 _LACS_plot.Line_1_terminator_val_y_1 -2.92 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.98 _LACS_plot.Line_2_terminator_val_x_2 4.58 _LACS_plot.Line_2_terminator_val_y_2 0.87 _LACS_plot.Y_axis_chem_shift_offset 0.42 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 125 GLN 0.70 4.47 0 12 ILE -0.58 -4.63 1 13 LEU -0.32 -1.33 1 14 LEU 0.01 -0.31 1 15 VAL 0.78 0.20 1 16 SER 0.61 0.64 1 17 GLU -1.07 -0.32 1 18 MET 1.21 0.00 1 19 GLU -3.55 -1.29 1 20 GLU -0.39 0.66 1 21 LEU 1.17 0.33 1 22 LYS 1.14 0.03 1 23 ALA -0.02 -0.62 1 24 ASN -0.48 0.06 1 26 ASN 0.42 -0.25 1 29 ALA -1.78 -1.67 1 30 VAL -7.01 -1.50 1 32 THR -4.35 -1.61 1 33 VAL 0.47 0.37 1 34 ILE 1.86 -0.91 1 35 GLU -4.29 -3.79 1 36 ALA -4.02 -2.82 1 37 LYS -2.83 -3.64 1 38 LEU -0.59 -2.43 1 39 ASP -4.93 0.41 1 40 LYS 4.48 0.54 1 42 ARG -1.21 0.51 1 45 VAL -3.99 -2.09 1 46 ALA -6.18 -2.61 1 47 THR 1.67 -1.32 1 48 LEU -3.15 -3.17 1 49 LEU -3.24 -1.15 1 50 VAL 3.76 -0.29 1 51 GLN -0.15 -0.19 1 52 ALA -3.27 -2.47 1 54 THR -2.93 -1.61 1 55 LEU -4.89 -3.25 1 56 LYS -3.81 -0.25 1 57 VAL 4.59 0.55 1 59 ASP 1.90 -0.20 1 61 ILE -6.08 -2.75 1 62 VAL -1.61 -0.99 1 63 VAL -2.75 -1.94 1 65 THR 0.49 -0.25 1 66 THR -2.07 -1.79 1 67 TYR -3.47 -2.36 1 69 ARG -3.11 -0.76 1 70 VAL 3.86 0.74 1 71 ARG 1.40 -0.95 1 72 ALA -3.42 -2.84 1 73 MET -5.14 -1.91 1 74 VAL -4.53 -0.45 1 75 ASN -1.85 1.46 1 76 ASP 3.34 0.90 1 77 SER -0.16 0.34 1 79 ARG -1.33 -0.68 1 80 ARG 1.20 0.73 1 81 VAL -5.54 -1.18 1 82 LYS -0.39 -0.48 1 83 GLU -5.54 -2.93 1 84 ALA -4.60 -2.60 1 87 SER 3.56 -1.35 1 90 VAL -6.77 -2.84 1 91 GLU -3.31 0.82 1 92 ILE -5.49 -0.83 1 93 THR -3.60 0.64 1 95 LEU -0.77 -0.39 1 96 HIS 3.92 -0.48 1 97 ASP -6.02 -3.76 1 98 VAL 1.33 0.60 1 100 GLN -3.40 -0.07 1 101 ALA 2.69 0.80 1 103 ASP 0.66 -0.75 1 104 ARG -1.75 0.37 1 105 PHE -8.54 -2.33 1 106 MET -4.35 -1.97 1 107 VAL -0.26 -0.68 1 108 PHE -3.45 -1.52 1 109 GLU 0.65 -1.16 1 111 GLU 1.45 0.58 1 112 LYS 3.01 1.39 1 113 LYS 1.55 0.50 1 114 ALA 1.58 0.19 1 115 ARG 1.97 0.50 1 116 GLN 1.82 1.19 1 117 ILE 2.12 1.01 1 119 GLU 0.66 0.27 1 120 ALA 0.56 -0.04 1 121 ARG 0.90 -0.53 1 122 ALA 0.07 -0.21 1 123 GLN 0.06 -0.17 1 124 ARG 0.45 -0.96 1 stop_ save_