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 bmr15440_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.33 _LACS_plot.Line_1_terminator_val_y_1 -3.02 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.03 _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 9.09 _LACS_plot.Line_2_terminator_val_y_2 6.56 _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 36 ASN 9.09 3.11 0 10 ALA -0.19 -0.09 1 15 ARG -0.12 -0.02 1 16 ALA -0.12 0.03 1 17 ASP -0.04 -0.01 1 18 LYS 0.62 0.32 1 19 THR 0.45 0.36 1 20 ALA -0.63 -0.30 1 21 ALA 0.07 0.05 1 23 GLN 0.15 0.25 1 24 THR 0.24 0.27 1 25 ARG 0.08 0.12 1 26 LEU -0.05 -0.02 1 27 THR -0.05 -0.26 1 29 TYR -0.00 0.04 1 30 ALA -0.41 -0.01 1 31 GLN 0.18 0.16 1 32 ALA 0.24 0.40 1 34 GLU -0.16 0.37 1 35 ASP 0.41 0.42 1 37 TRP -3.62 -2.27 1 38 ARG 7.68 4.43 1 39 SER 4.14 2.71 1 40 ARG 3.85 3.73 1 41 ILE 6.86 5.77 1 42 SER 5.50 4.25 1 44 ARG 4.67 3.26 1 45 LEU 5.15 3.30 1 46 ASN 3.79 3.21 1 47 ARG 3.26 2.43 1 48 PHE -0.30 1.47 1 49 LYS 1.11 1.81 1 50 ARG -2.99 -1.69 1 51 TYR -0.90 0.64 1 53 LYS 4.07 3.53 1 54 ASP 4.67 2.23 1 55 ALA 2.44 2.16 1 56 LEU 3.18 2.96 1 57 ARG 3.95 2.95 1 58 LEU -1.05 -0.19 1 59 LYS 4.88 1.04 1 60 ARG -1.92 -1.91 1 61 GLN -4.69 -1.30 1 63 VAL -3.25 -1.60 1 65 GLN -4.07 -0.56 1 66 VAL -7.33 -3.36 1 67 ARG -5.69 -2.51 1 68 PHE -5.53 -2.69 1 69 THR -3.04 -1.71 1 70 LEU -6.39 -2.47 1 71 ASP -2.50 -1.99 1 72 ARG 3.55 2.19 1 73 GLN -0.41 -0.20 1 75 HIS 2.05 2.30 1 76 VAL 0.50 0.22 1 77 LEU -0.34 0.16 1 78 ALA -3.14 -0.19 1 79 VAL -3.01 -0.25 1 80 THR -2.12 -0.19 1 81 LEU -0.09 0.47 1 82 VAL 1.42 1.54 1 83 SER -1.64 -0.66 1 84 SER -3.68 -3.17 1 85 ALA -1.35 -0.19 1 87 LEU -6.01 -0.70 1 89 SER 6.10 2.47 1 90 LEU 3.70 2.09 1 91 ASP 5.28 3.78 1 92 ARG 3.84 3.61 1 93 GLU 3.43 1.48 1 94 ILE 7.45 6.03 1 95 GLN 2.41 3.21 1 96 ALA 2.13 2.18 1 97 LEU 4.53 3.02 1 98 VAL 5.19 3.99 1 99 LYS 3.48 3.05 1 100 ARG 2.07 2.55 1 101 ALA -2.82 -1.25 1 102 SER -0.14 0.52 1 104 LEU -1.29 -1.03 1 109 ALA 3.43 3.00 1 110 ASP 2.19 1.05 1 111 ALA 0.22 0.17 1 112 TYR -0.26 1.24 1 113 VAL -1.05 0.12 1 114 ASN 1.32 1.21 1 116 THR -5.30 -1.60 1 117 VAL -3.99 -2.35 1 118 GLU -5.19 -2.29 1 119 LEU -4.51 -1.18 1 120 THR -1.29 -0.67 1 121 LEU -5.63 -1.13 1 123 ILE -1.33 -1.95 1 124 ASP -4.75 -1.54 1 125 PHE 1.42 0.37 1 126 SER -2.97 -1.40 1 127 LEU 0.48 0.27 1 128 ARG 1.18 0.81 1 130 ALA -0.25 0.05 1 132 PHE 0.43 1.26 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15440_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.33 _LACS_plot.Line_1_terminator_val_y_1 4.31 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.97 _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 9.09 _LACS_plot.Line_2_terminator_val_y_2 -2.53 _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 36 ASN 9.09 -5.98 0 10 ALA -0.19 0.10 1 15 ARG -0.12 0.10 1 16 ALA -0.12 0.15 1 17 ASP -0.04 0.03 1 18 LYS 0.62 -0.30 1 19 THR 0.45 -0.09 1 20 ALA -0.63 0.33 1 21 ALA 0.07 -0.02 1 23 GLN 0.15 0.10 1 24 THR 0.24 0.03 1 25 ARG 0.08 0.04 1 26 LEU -0.05 0.03 1 27 THR -0.05 -0.21 1 29 TYR -0.00 0.04 1 30 ALA -0.41 0.40 1 31 GLN 0.18 -0.02 1 32 ALA 0.24 0.16 1 34 GLU -0.16 0.53 1 35 ASP 0.41 0.01 1 37 TRP -3.62 1.35 1 38 ARG 7.68 -3.25 1 39 SER 4.14 -1.43 1 40 ARG 3.85 -0.12 1 41 ILE 6.86 -1.09 1 42 SER 5.50 -1.25 1 44 ARG 4.67 -1.41 1 45 LEU 5.15 -1.85 1 46 ASN 3.79 -0.58 1 47 ARG 3.26 -0.83 1 48 PHE -0.30 1.77 1 49 LYS 1.11 0.70 1 50 ARG -2.99 1.30 1 51 TYR -0.90 1.54 1 53 LYS 4.07 -0.54 1 54 ASP 4.67 -2.44 1 55 ALA 2.44 -0.28 1 56 LEU 3.18 -0.22 1 57 ARG 3.95 -1.00 1 58 LEU -1.05 0.86 1 59 LYS 4.88 -3.84 1 60 ARG -1.92 0.01 1 61 GLN -4.69 3.39 1 63 VAL -3.25 1.65 1 65 GLN -4.07 3.51 1 66 VAL -7.33 3.97 1 67 ARG -5.69 3.18 1 68 PHE -5.53 2.84 1 69 THR -3.04 1.33 1 70 LEU -6.39 3.92 1 71 ASP -2.50 0.51 1 72 ARG 3.55 -1.36 1 73 GLN -0.41 0.21 1 75 HIS 2.05 0.25 1 76 VAL 0.50 -0.28 1 77 LEU -0.34 0.50 1 78 ALA -3.14 2.95 1 79 VAL -3.01 2.76 1 80 THR -2.12 1.93 1 81 LEU -0.09 0.56 1 82 VAL 1.42 0.12 1 83 SER -1.64 0.98 1 84 SER -3.68 0.51 1 85 ALA -1.35 1.16 1 87 LEU -6.01 5.31 1 89 SER 6.10 -3.63 1 90 LEU 3.70 -1.61 1 91 ASP 5.28 -1.50 1 92 ARG 3.84 -0.23 1 93 GLU 3.43 -1.95 1 94 ILE 7.45 -1.42 1 95 GLN 2.41 0.80 1 96 ALA 2.13 0.05 1 97 LEU 4.53 -1.51 1 98 VAL 5.19 -1.20 1 99 LYS 3.48 -0.43 1 100 ARG 2.07 0.48 1 101 ALA -2.82 1.57 1 102 SER -0.14 0.66 1 104 LEU -1.29 0.26 1 109 ALA 3.43 -0.43 1 110 ASP 2.19 -1.14 1 111 ALA 0.22 -0.05 1 112 TYR -0.26 1.50 1 113 VAL -1.05 1.17 1 114 ASN 1.32 -0.11 1 116 THR -5.30 3.70 1 117 VAL -3.99 1.64 1 118 GLU -5.19 2.90 1 119 LEU -4.51 3.33 1 120 THR -1.29 0.62 1 121 LEU -5.63 4.50 1 123 ILE -1.33 -0.62 1 124 ASP -4.75 3.21 1 125 PHE 1.42 -1.05 1 126 SER -2.97 1.57 1 127 LEU 0.48 -0.21 1 128 ARG 1.18 -0.37 1 130 ALA -0.25 0.30 1 132 PHE 0.43 0.83 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15440_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.33 _LACS_plot.Line_1_terminator_val_y_1 0.62 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.10 _LACS_plot.Line_2_terminator_val_x_2 9.09 _LACS_plot.Line_2_terminator_val_y_2 -0.76 _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 38 ARG 7.68 0.47 0 10 ALA -0.19 -0.05 1 15 ARG -0.12 -0.02 1 16 ALA -0.12 -0.02 1 17 ASP -0.04 -0.09 1 18 LYS 0.62 0.01 1 19 THR 0.45 -0.13 1 20 ALA -0.63 -0.03 1 21 ALA 0.07 -0.08 1 23 GLN 0.15 -0.01 1 24 THR 0.24 -0.21 1 25 ARG 0.08 -0.01 1 26 LEU -0.05 0.03 1 27 THR -0.05 -0.05 1 29 TYR -0.00 -0.08 1 30 ALA -0.41 -0.07 1 31 GLN 0.18 -0.10 1 32 ALA 0.24 -0.02 1 34 GLU -0.16 -0.11 1 35 ASP 0.41 -0.07 1 36 ASN 9.09 -0.45 1 37 TRP -3.62 -0.13 1 39 SER 4.14 -0.24 1 40 ARG 3.85 -0.14 1 41 ILE 6.86 -0.52 1 42 SER 5.50 0.15 1 44 ARG 4.67 -0.08 1 45 LEU 5.15 -0.51 1 46 ASN 3.79 -0.35 1 47 ARG 3.26 -0.24 1 48 PHE -0.30 -0.25 1 49 LYS 1.11 -0.26 1 50 ARG -2.99 0.34 1 51 TYR -0.90 -0.02 1 53 LYS 4.07 -0.39 1 54 ASP 4.67 -0.39 1 55 ALA 2.44 -0.55 1 56 LEU 3.18 -0.59 1 57 ARG 3.95 -0.35 1 58 LEU -1.05 -0.16 1 59 LYS 4.88 -0.76 1 60 ARG -1.92 0.20 1 61 GLN -4.69 0.27 1 63 VAL -3.25 0.98 1 65 GLN -4.07 0.88 1 66 VAL -7.33 0.88 1 67 ARG -5.69 1.46 1 68 PHE -5.53 1.06 1 69 THR -3.04 1.16 1 70 LEU -6.39 1.42 1 71 ASP -2.50 0.71 1 72 ARG 3.55 0.20 1 73 GLN -0.41 0.04 1 75 HIS 2.05 -0.48 1 76 VAL 0.50 0.21 1 77 LEU -0.34 0.07 1 78 ALA -3.14 0.21 1 79 VAL -3.01 0.74 1 80 THR -2.12 0.22 1 81 LEU -0.09 0.08 1 82 VAL 1.42 -0.08 1 83 SER -1.64 0.14 1 84 SER -3.68 0.03 1 85 ALA -1.35 0.16 1 87 LEU -6.01 0.16 1 89 SER 6.10 0.15 1 90 LEU 3.70 -0.82 1 91 ASP 5.28 -0.19 1 92 ARG 3.84 -0.28 1 93 GLU 3.43 0.36 1 94 ILE 7.45 -0.61 1 95 GLN 2.41 -0.46 1 96 ALA 2.13 -0.32 1 97 LEU 4.53 -0.46 1 98 VAL 5.19 -1.04 1 99 LYS 3.48 -0.53 1 100 ARG 2.07 -0.45 1 101 ALA -2.82 0.47 1 102 SER -0.14 -0.75 1 104 LEU -1.29 0.34 1 109 ALA 3.43 -0.40 1 110 ASP 2.19 -0.23 1 111 ALA 0.22 -0.15 1 112 TYR -0.26 -0.61 1 113 VAL -1.05 0.03 1 114 ASN 1.32 -0.32 1 116 THR -5.30 -0.03 1 117 VAL -3.99 0.23 1 118 GLU -5.19 0.88 1 119 LEU -4.51 0.21 1 120 THR -1.29 1.04 1 121 LEU -5.63 0.35 1 123 ILE -1.33 -0.01 1 124 ASP -4.75 0.40 1 125 PHE 1.42 -0.16 1 126 SER -2.97 0.53 1 127 LEU 0.48 -0.12 1 128 ARG 1.18 -0.09 1 130 ALA -0.25 -0.04 1 132 PHE 0.43 -0.21 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15440_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.33 _LACS_plot.Line_1_terminator_val_y_1 -2.96 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.47 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.96 _LACS_plot.Line_2_terminator_val_x_2 9.09 _LACS_plot.Line_2_terminator_val_y_2 2.68 _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 71 ASP -2.50 4.94 0 15 ARG -0.12 -0.09 1 16 ALA -0.12 -0.47 1 17 ASP -0.04 0.15 1 18 LYS 0.62 0.22 1 19 THR 0.45 -0.54 1 20 ALA -0.63 -0.86 1 23 GLN 0.15 0.25 1 24 THR 0.24 1.58 1 25 ARG 0.08 -0.36 1 26 LEU -0.05 -0.40 1 29 TYR -0.00 -0.28 1 30 ALA -0.41 -0.48 1 31 GLN 0.18 -0.19 1 32 ALA 0.24 0.49 1 34 GLU -0.16 -0.16 1 36 ASN 9.09 1.02 1 38 ARG 7.68 2.59 1 39 SER 4.14 3.43 1 41 ILE 6.86 0.72 1 42 SER 5.50 2.29 1 44 ARG 4.67 1.80 1 45 LEU 5.15 1.62 1 46 ASN 3.79 2.53 1 47 ARG 3.26 1.04 1 48 PHE -0.30 -1.11 1 49 LYS 1.11 -1.47 1 50 ARG -2.99 -2.06 1 53 LYS 4.07 -1.91 1 54 ASP 4.67 1.12 1 55 ALA 2.44 0.91 1 56 LEU 3.18 2.63 1 57 ARG 3.95 2.03 1 58 LEU -1.05 -1.85 1 59 LYS 4.88 -1.22 1 60 ARG -1.92 -1.23 1 61 GLN -4.69 -1.08 1 63 VAL -3.25 -0.70 1 65 GLN -4.07 -1.56 1 66 VAL -7.33 -6.45 1 67 ARG -5.69 0.11 1 68 PHE -5.53 -3.01 1 69 THR -3.04 -0.34 1 70 LEU -6.39 -0.13 1 72 ARG 3.55 0.16 1 73 GLN -0.41 -0.50 1 75 HIS 2.05 1.73 1 76 VAL 0.50 0.67 1 77 LEU -0.34 -0.54 1 78 ALA -3.14 -2.45 1 79 VAL -3.01 -1.53 1 80 THR -2.12 -2.15 1 81 LEU -0.09 -1.86 1 82 VAL 1.42 -0.34 1 83 SER -1.64 -1.84 1 84 SER -3.68 1.49 1 85 ALA -1.35 0.55 1 89 SER 6.10 3.93 1 90 LEU 3.70 -0.51 1 91 ASP 5.28 3.32 1 92 ARG 3.84 2.85 1 93 GLU 3.43 0.69 1 94 ILE 7.45 -0.87 1 95 GLN 2.41 0.92 1 96 ALA 2.13 3.32 1 97 LEU 4.53 -0.66 1 98 VAL 5.19 -0.04 1 99 LYS 3.48 -2.11 1 100 ARG 2.07 0.19 1 101 ALA -2.82 -2.60 1 109 ALA 3.43 2.00 1 110 ASP 2.19 0.05 1 111 ALA 0.22 -0.18 1 112 TYR -0.26 0.52 1 114 ASN 1.32 0.82 1 116 THR -5.30 -2.19 1 117 VAL -3.99 -4.86 1 118 GLU -5.19 -1.67 1 119 LEU -4.51 -3.45 1 120 THR -1.29 -0.53 1 123 ILE -1.33 -3.16 1 124 ASP -4.75 -2.07 1 125 PHE 1.42 -1.11 1 126 SER -2.97 -0.37 1 127 LEU 0.48 -0.19 1 128 ARG 1.18 0.99 1 130 ALA -0.25 -0.07 1 stop_ save_