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 bmr6615_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.08 _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 0.69 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.79 _LACS_plot.Line_2_terminator_val_x_2 8.30 _LACS_plot.Line_2_terminator_val_y_2 6.34 _LACS_plot.Y_axis_chem_shift_offset 0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 16 HIS -0.95 2.36 0 10 LEU 4.72 3.92 1 11 GLU 3.97 2.78 1 12 ILE 4.94 4.13 1 13 VAL 7.38 5.51 1 14 LYS 5.04 3.99 1 15 ASP 1.36 1.36 1 17 LEU 1.84 3.33 1 18 LEU 8.31 5.94 1 20 LYS 3.74 3.32 1 21 GLN 3.59 2.32 1 22 ILE 6.67 5.44 1 23 LYS 4.26 3.22 1 24 GLU 2.42 1.88 1 25 HIS 2.93 2.55 1 27 LEU -4.66 -2.25 1 28 LYS -3.59 -2.10 1 29 LYS 4.76 3.52 1 30 SER 1.81 0.70 1 31 ASN -0.82 1.91 1 32 LEU -3.94 -1.39 1 33 GLN -4.13 -1.93 1 34 LEU -2.29 -1.66 1 35 ARG -0.54 -0.87 1 36 ASP 5.73 3.85 1 37 GLN 3.47 2.27 1 38 ALA 3.60 2.23 1 39 ILE 6.47 4.66 1 40 LEU 0.48 -0.87 1 41 ASP 4.70 3.22 1 42 ILE 5.63 4.68 1 43 ILE 4.31 3.98 1 44 ARG 3.37 3.33 1 45 TYR -0.91 -0.69 1 46 TYR 0.83 -0.04 1 47 THR -6.08 -2.50 1 48 ARG 1.32 -0.31 1 49 GLU -2.96 -2.38 1 50 ALA 0.95 0.98 1 52 VAL -1.44 -2.51 1 53 ARG 4.14 3.98 1 55 LEU 4.35 3.05 1 56 GLU 4.94 3.91 1 57 ARG 4.50 3.29 1 58 GLN 3.59 1.83 1 59 LEU 3.54 2.39 1 60 ALA 4.39 3.23 1 61 ALA 3.99 2.58 1 62 ILE 5.61 4.59 1 64 ARG 4.36 3.64 1 65 LYS 3.76 3.15 1 66 ALA 2.84 2.44 1 67 ALA 4.15 2.76 1 68 LYS 3.10 2.21 1 69 ALA 2.19 1.77 1 70 ILE 2.69 1.73 1 71 VAL 3.78 2.66 1 72 ALA 0.55 0.70 1 73 GLU -0.70 -0.92 1 74 GLU 2.23 1.26 1 75 ARG -1.37 -1.10 1 76 LYS 0.44 0.34 1 77 ARG -2.44 -0.95 1 78 ILE -2.05 -1.59 1 79 THR -0.09 -0.55 1 80 VAL 0.60 -0.70 1 81 THR -4.79 -2.85 1 82 GLU 4.49 2.25 1 83 LYS 1.40 0.97 1 84 ASN -0.78 -1.12 1 85 LEU 3.17 3.60 1 86 GLN 3.86 1.97 1 87 ASP 3.61 1.90 1 88 PHE 0.31 2.42 1 89 ILE -0.64 -0.49 1 91 LYS 0.00 -0.23 1 92 ARG 1.94 1.73 1 93 ILE 0.07 1.36 1 94 PHE -3.17 -1.34 1 95 ARG -0.08 -0.19 1 96 TYR -1.23 -0.07 1 98 GLN -0.19 -0.03 1 99 ALA -0.17 -0.12 1 100 GLU -0.09 0.05 1 101 THR -0.11 -0.32 1 102 GLU -0.23 -0.04 1 103 ASP 0.18 0.06 1 104 GLN 0.48 0.14 1 105 VAL 1.10 0.43 1 107 VAL 0.31 -0.12 1 108 VAL 0.43 -0.19 1 109 THR 0.07 -0.16 1 111 LEU -0.13 -0.22 1 112 ALA -0.13 -0.20 1 113 TYR 0.15 -0.17 1 114 THR 0.14 -0.18 1 115 THR 0.44 0.04 1 116 VAL 0.85 0.17 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6615_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.08 _LACS_plot.Line_1_terminator_val_y_1 3.12 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.31 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.21 _LACS_plot.Line_2_terminator_val_x_2 8.30 _LACS_plot.Line_2_terminator_val_y_2 -1.96 _LACS_plot.Y_axis_chem_shift_offset 0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 16 HIS -0.95 3.31 0 10 LEU 4.72 -0.80 1 11 GLU 3.97 -1.19 1 12 ILE 4.94 -0.81 1 13 VAL 7.38 -1.87 1 14 LYS 5.04 -1.05 1 15 ASP 1.36 0.00 1 17 LEU 1.84 1.49 1 18 LEU 8.31 -2.37 1 20 LYS 3.74 -0.42 1 21 GLN 3.59 -1.27 1 22 ILE 6.67 -1.23 1 23 LYS 4.26 -1.04 1 24 GLU 2.42 -0.54 1 25 HIS 2.93 -0.38 1 27 LEU -4.66 2.41 1 28 LYS -3.59 1.49 1 29 LYS 4.76 -1.24 1 30 SER 1.81 -1.11 1 31 ASN -0.82 2.73 1 32 LEU -3.94 2.55 1 33 GLN -4.13 2.20 1 34 LEU -2.29 0.63 1 35 ARG -0.54 -0.33 1 36 ASP 5.73 -1.88 1 37 GLN 3.47 -1.20 1 38 ALA 3.60 -1.37 1 39 ILE 6.47 -1.81 1 40 LEU 0.48 -1.35 1 41 ASP 4.70 -1.48 1 42 ILE 5.63 -0.95 1 43 ILE 4.31 -0.33 1 44 ARG 3.37 -0.04 1 45 TYR -0.91 0.22 1 46 TYR 0.83 -0.87 1 47 THR -6.08 3.58 1 48 ARG 1.32 -1.63 1 49 GLU -2.96 0.58 1 50 ALA 0.95 0.03 1 52 VAL -1.44 -1.07 1 53 ARG 4.14 -0.16 1 55 LEU 4.35 -1.30 1 56 GLU 4.94 -1.03 1 57 ARG 4.50 -1.21 1 58 GLN 3.59 -1.76 1 59 LEU 3.54 -1.15 1 60 ALA 4.39 -1.16 1 61 ALA 3.99 -1.41 1 62 ILE 5.61 -1.02 1 64 ARG 4.36 -0.72 1 65 LYS 3.76 -0.61 1 66 ALA 2.84 -0.40 1 67 ALA 4.15 -1.39 1 68 LYS 3.10 -0.89 1 69 ALA 2.19 -0.42 1 70 ILE 2.69 -0.96 1 71 VAL 3.78 -1.12 1 72 ALA 0.55 0.15 1 73 GLU -0.70 -0.22 1 74 GLU 2.23 -0.97 1 75 ARG -1.37 0.27 1 76 LYS 0.44 -0.10 1 77 ARG -2.44 1.49 1 78 ILE -2.05 0.46 1 79 THR -0.09 -0.46 1 80 VAL 0.60 -1.30 1 81 THR -4.79 1.94 1 82 GLU 4.49 -2.24 1 83 LYS 1.40 -0.43 1 84 ASN -0.78 -0.34 1 85 LEU 3.17 0.43 1 86 GLN 3.86 -1.89 1 87 ASP 3.61 -1.71 1 88 PHE 0.31 2.11 1 89 ILE -0.64 0.15 1 91 LYS 0.00 -0.23 1 92 ARG 1.94 -0.21 1 93 ILE 0.07 1.29 1 94 PHE -3.17 1.83 1 95 ARG -0.08 -0.11 1 96 TYR -1.23 1.16 1 98 GLN -0.19 0.16 1 99 ALA -0.17 0.05 1 100 GLU -0.09 0.14 1 101 THR -0.11 -0.21 1 102 GLU -0.23 0.19 1 103 ASP 0.18 -0.12 1 104 GLN 0.48 -0.34 1 105 VAL 1.10 -0.67 1 107 VAL 0.31 -0.43 1 108 VAL 0.43 -0.62 1 109 THR 0.07 -0.23 1 111 LEU -0.13 -0.09 1 112 ALA -0.13 -0.07 1 113 TYR 0.15 -0.32 1 114 THR 0.14 -0.32 1 115 THR 0.44 -0.40 1 116 VAL 0.85 -0.68 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6615_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.08 _LACS_plot.Line_1_terminator_val_y_1 0.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.14 _LACS_plot.Line_2_terminator_val_x_2 8.30 _LACS_plot.Line_2_terminator_val_y_2 -0.73 _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 92 ARG 1.94 -1.63 0 10 LEU 4.72 -0.61 1 11 GLU 3.97 -0.44 1 12 ILE 4.94 -0.43 1 13 VAL 7.38 -0.67 1 14 LYS 5.04 -0.55 1 15 ASP 1.36 -0.09 1 16 HIS -0.95 0.23 1 17 LEU 1.84 -0.31 1 18 LEU 8.31 -0.43 1 20 LYS 3.74 -0.29 1 21 GLN 3.59 -0.25 1 22 ILE 6.67 -0.62 1 23 LYS 4.26 -0.19 1 24 GLU 2.42 -0.38 1 25 HIS 2.93 -0.23 1 27 LEU -4.66 0.22 1 28 LYS -3.59 0.24 1 29 LYS 4.76 -0.37 1 30 SER 1.81 -0.36 1 31 ASN -0.82 0.28 1 32 LEU -3.94 0.86 1 33 GLN -4.13 0.23 1 34 LEU -2.29 0.53 1 35 ARG -0.54 0.00 1 36 ASP 5.73 -0.50 1 37 GLN 3.47 -0.58 1 38 ALA 3.60 -0.39 1 39 ILE 6.47 -0.86 1 40 LEU 0.48 -0.45 1 41 ASP 4.70 -0.19 1 42 ILE 5.63 -0.36 1 43 ILE 4.31 -0.75 1 44 ARG 3.37 -0.68 1 45 TYR -0.91 0.71 1 46 TYR 0.83 0.36 1 47 THR -6.08 0.51 1 48 ARG 1.32 -0.21 1 49 GLU -2.96 0.45 1 50 ALA 0.95 0.14 1 52 VAL -1.44 0.75 1 53 ARG 4.14 -0.15 1 55 LEU 4.35 -0.70 1 56 GLU 4.94 -0.72 1 57 ARG 4.50 -0.28 1 58 GLN 3.59 0.12 1 59 LEU 3.54 -0.54 1 60 ALA 4.39 -0.59 1 61 ALA 3.99 -0.34 1 62 ILE 5.61 -0.69 1 64 ARG 4.36 -0.45 1 65 LYS 3.76 -0.25 1 66 ALA 2.84 -0.26 1 67 ALA 4.15 -0.32 1 68 LYS 3.10 -0.22 1 69 ALA 2.19 -0.15 1 70 ILE 2.69 -0.19 1 71 VAL 3.78 -0.28 1 72 ALA 0.55 -0.02 1 73 GLU -0.70 -0.04 1 74 GLU 2.23 -0.26 1 75 ARG -1.37 0.06 1 76 LYS 0.44 -0.12 1 77 ARG -2.44 0.40 1 78 ILE -2.05 0.13 1 79 THR -0.09 0.58 1 80 VAL 0.60 0.24 1 81 THR -4.79 0.16 1 82 GLU 4.49 -0.20 1 83 LYS 1.40 0.01 1 84 ASN -0.78 0.17 1 85 LEU 3.17 -0.34 1 86 GLN 3.86 0.01 1 87 ASP 3.61 -0.42 1 88 PHE 0.31 -0.40 1 89 ILE -0.64 0.50 1 91 LYS 0.00 -0.23 1 93 ILE 0.07 -0.52 1 94 PHE -3.17 0.13 1 95 ARG -0.08 0.08 1 96 TYR -1.23 0.01 1 98 GLN -0.19 -0.07 1 99 ALA -0.17 -0.04 1 100 GLU -0.09 -0.06 1 101 THR -0.11 -0.04 1 102 GLU -0.23 -0.10 1 103 ASP 0.18 -0.11 1 104 GLN 0.48 -0.06 1 105 VAL 1.10 -0.08 1 107 VAL 0.31 -0.04 1 108 VAL 0.43 0.03 1 109 THR 0.07 -0.05 1 111 LEU -0.13 -0.07 1 112 ALA -0.13 -0.09 1 113 TYR 0.15 0.00 1 114 THR 0.14 -0.06 1 115 THR 0.44 -0.06 1 116 VAL 0.85 -0.09 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6615_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.08 _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 0.75 _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 7.37 _LACS_plot.Line_2_terminator_val_y_2 2.77 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 47 THR -6.08 -3.80 0 13 VAL 7.38 0.28 0 28 LYS -3.59 1.43 0 32 LEU -3.94 -4.75 0 10 LEU 4.72 0.19 1 11 GLU 3.97 1.73 1 12 ILE 4.94 3.97 1 14 LYS 5.04 1.69 1 15 ASP 1.36 0.53 1 16 HIS -0.95 1.87 1 17 LEU 1.84 0.40 1 20 LYS 3.74 1.83 1 21 GLN 3.59 3.73 1 22 ILE 6.67 1.06 1 23 LYS 4.26 4.52 1 24 GLU 2.42 0.65 1 25 HIS 2.93 0.02 1 27 LEU -4.66 -2.45 1 29 LYS 4.76 0.83 1 30 SER 1.81 0.96 1 31 ASN -0.82 -1.42 1 33 GLN -4.13 -2.65 1 34 LEU -2.29 -1.72 1 35 ARG -0.54 1.44 1 36 ASP 5.73 2.11 1 37 GLN 3.47 2.11 1 38 ALA 3.60 0.29 1 39 ILE 6.47 1.40 1 40 LEU 0.48 0.74 1 41 ASP 4.70 3.32 1 42 ILE 5.63 2.07 1 43 ILE 4.31 2.69 1 44 ARG 3.37 1.60 1 45 TYR -0.91 1.62 1 46 TYR 0.83 -1.67 1 48 ARG 1.32 -2.83 1 50 ALA 0.95 0.58 1 52 VAL -1.44 0.10 1 53 ARG 4.14 3.42 1 55 LEU 4.35 0.58 1 56 GLU 4.94 1.10 1 57 ARG 4.50 3.83 1 58 GLN 3.59 2.60 1 59 LEU 3.54 1.61 1 60 ALA 4.39 0.71 1 61 ALA 3.99 3.25 1 62 ILE 5.61 0.91 1 64 ARG 4.36 2.78 1 65 LYS 3.76 3.10 1 66 ALA 2.84 0.42 1 67 ALA 4.15 1.84 1 68 LYS 3.10 1.76 1 69 ALA 2.19 1.84 1 70 ILE 2.69 1.68 1 71 VAL 3.78 1.12 1 72 ALA 0.55 0.18 1 74 GLU 2.23 0.15 1 76 LYS 0.44 -1.11 1 77 ARG -2.44 -1.77 1 78 ILE -2.05 -1.96 1 79 THR -0.09 -1.07 1 80 VAL 0.60 -1.70 1 81 THR -4.79 -1.13 1 82 GLU 4.49 -0.87 1 83 LYS 1.40 0.64 1 84 ASN -0.78 2.37 1 85 LEU 3.17 1.78 1 86 GLN 3.86 1.88 1 87 ASP 3.61 0.10 1 88 PHE 0.31 0.74 1 89 ILE -0.64 -0.78 1 91 LYS 0.00 -0.47 1 92 ARG 1.94 -0.43 1 93 ILE 0.07 -0.70 1 94 PHE -3.17 -0.31 1 95 ARG -0.08 -0.56 1 96 TYR -1.23 -0.21 1 98 GLN -0.19 -0.42 1 99 ALA -0.17 -0.13 1 100 GLU -0.09 0.06 1 101 THR -0.11 -0.06 1 102 GLU -0.23 -0.42 1 103 ASP 0.18 -0.19 1 104 GLN 0.48 -0.09 1 105 VAL 1.10 0.36 1 107 VAL 0.31 -0.07 1 108 VAL 0.43 -0.05 1 109 THR 0.07 0.21 1 111 LEU -0.13 -0.56 1 112 ALA -0.13 -0.50 1 113 TYR 0.15 -0.06 1 114 THR 0.14 -0.31 1 115 THR 0.44 -0.30 1 116 VAL 0.85 -0.39 1 stop_ save_