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 bmr6780_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.48 _LACS_plot.Line_1_terminator_val_y_1 -3.51 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.01 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.56 _LACS_plot.Line_2_terminator_val_x_2 6.55 _LACS_plot.Line_2_terminator_val_y_2 5.42 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 95 GLU -1.24 4.18 0 10 VAL -7.21 -3.36 1 11 VAL -2.33 -1.02 1 12 VAL -3.44 -1.84 1 13 GLN -1.33 -0.67 1 14 ASN -3.18 -2.31 1 15 ARG -0.37 -1.69 1 16 ILE 2.41 1.77 1 17 LYS -2.65 -0.91 1 18 GLU 1.93 1.13 1 20 TYR 0.61 1.69 1 21 ARG -3.82 -1.87 1 22 ARG -2.24 -0.95 1 23 ALA 0.76 0.30 1 25 PHE -3.44 -1.08 1 26 SER -0.59 -0.48 1 27 PHE -1.64 -0.01 1 28 HIS -1.72 -0.59 1 29 LEU 1.83 1.91 1 31 ASP 1.29 0.85 1 32 ASN -4.12 -0.86 1 33 SER 0.68 0.06 1 34 LEU -3.38 -1.45 1 35 ALA -1.68 -0.04 1 36 ALA 0.78 -0.07 1 37 VAL -1.24 -0.67 1 38 SER -3.00 -0.92 1 39 GLU 3.86 4.19 1 40 SER 4.07 2.75 1 41 GLN 2.84 3.25 1 42 LEU 4.06 3.07 1 43 ALA 4.05 2.76 1 44 GLN 2.17 2.89 1 45 LEU 2.84 3.00 1 46 LYS 3.27 2.41 1 47 ALA -0.14 -0.23 1 48 ASP -2.01 -1.30 1 50 ARG 1.15 0.81 1 51 LEU -3.96 -1.70 1 52 VAL -1.06 -0.10 1 53 VAL -2.01 -1.18 1 54 GLN -4.01 -1.82 1 55 ILE 0.30 0.38 1 56 THR -0.09 -0.48 1 57 GLU -1.77 -0.40 1 58 THR 0.17 0.06 1 60 SER -0.12 -0.11 1 61 GLN -0.13 0.01 1 62 GLU -0.21 0.20 1 65 GLU -0.54 0.33 1 67 LEU -0.09 -0.02 1 68 SER 0.12 -0.15 1 69 LYS -0.70 -0.53 1 72 ALA -0.43 -0.12 1 74 SER 0.02 0.12 1 75 ASP 0.88 0.66 1 76 GLU 0.62 0.84 1 77 GLN 0.99 0.58 1 78 LYS 0.83 0.69 1 79 GLN 0.06 0.01 1 80 LEU -2.29 -2.43 1 81 ARG -0.52 -0.36 1 82 ALA -0.89 -0.41 1 83 ASP -3.37 -0.84 1 86 SER 0.17 -0.08 1 87 THR 0.49 0.25 1 88 ASP -0.58 -0.65 1 89 LEU 2.44 2.10 1 90 ASN 2.59 2.52 1 91 THR 1.21 1.01 1 92 PHE -7.48 -4.93 1 93 THR -2.96 -1.60 1 94 VAL 6.56 5.40 1 96 GLN 3.79 3.25 1 97 LEU 3.11 3.38 1 98 LYS 4.46 4.29 1 99 ALA 4.21 2.97 1 100 GLN 3.71 3.35 1 101 LEU 4.63 3.41 1 102 THR 6.32 4.93 1 103 GLU 3.07 2.78 1 104 ARG -0.36 0.26 1 106 ILE -0.53 -0.60 1 107 THR 0.50 0.29 1 108 PHE -5.12 -3.37 1 109 LYS -0.26 -0.08 1 110 GLN -3.80 -2.01 1 111 SER -0.33 -1.27 1 112 ALA 0.04 0.48 1 113 THR -3.17 -1.79 1 114 LYS 5.83 5.06 1 115 ALA 3.47 2.85 1 116 GLU 2.11 2.47 1 117 LEU 2.78 2.50 1 118 ILE 5.53 4.88 1 119 ALA 2.50 1.70 1 120 LEU 1.03 0.79 1 121 PHE 2.00 1.75 1 122 ALA -0.25 0.30 1 124 ALA -0.41 -0.12 1 125 ASP -0.05 0.11 1 127 GLU -0.58 -0.13 1 128 LYS -0.30 -0.28 1 129 SER -0.05 -0.11 1 130 GLU -0.95 -0.37 1 131 ALA 0.04 1.31 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6780_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.48 _LACS_plot.Line_1_terminator_val_y_1 3.97 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.98 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.44 _LACS_plot.Line_2_terminator_val_x_2 6.55 _LACS_plot.Line_2_terminator_val_y_2 -1.13 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 95 GLU -1.24 5.42 0 10 VAL -7.21 3.85 1 11 VAL -2.33 1.31 1 12 VAL -3.44 1.60 1 13 GLN -1.33 0.66 1 14 ASN -3.18 0.87 1 15 ARG -0.37 -1.32 1 16 ILE 2.41 -0.64 1 17 LYS -2.65 1.74 1 18 GLU 1.93 -0.80 1 20 TYR 0.61 1.08 1 21 ARG -3.82 1.95 1 22 ARG -2.24 1.29 1 23 ALA 0.76 -0.46 1 25 PHE -3.44 2.36 1 26 SER -0.59 0.11 1 27 PHE -1.64 1.63 1 28 HIS -1.72 1.13 1 29 LEU 1.83 0.08 1 31 ASP 1.29 -0.44 1 32 ASN -4.12 3.26 1 33 SER 0.68 -0.62 1 34 LEU -3.38 1.93 1 35 ALA -1.68 1.64 1 36 ALA 0.78 -0.85 1 37 VAL -1.24 0.57 1 38 SER -3.00 2.08 1 39 GLU 3.86 0.33 1 40 SER 4.07 -1.32 1 41 GLN 2.84 0.41 1 42 LEU 4.06 -0.99 1 43 ALA 4.05 -1.29 1 44 GLN 2.17 0.72 1 45 LEU 2.84 0.16 1 46 LYS 3.27 -0.86 1 47 ALA -0.14 -0.09 1 48 ASP -2.01 0.71 1 50 ARG 1.15 -0.34 1 51 LEU -3.96 2.26 1 52 VAL -1.06 0.96 1 53 VAL -2.01 0.83 1 54 GLN -4.01 2.19 1 55 ILE 0.30 0.08 1 56 THR -0.09 -0.39 1 57 GLU -1.77 1.37 1 58 THR 0.17 -0.11 1 60 SER -0.12 0.01 1 61 GLN -0.13 0.14 1 62 GLU -0.21 0.41 1 65 GLU -0.54 0.87 1 67 LEU -0.09 0.07 1 68 SER 0.12 -0.27 1 69 LYS -0.70 0.17 1 72 ALA -0.43 0.31 1 74 SER 0.02 0.10 1 75 ASP 0.88 -0.22 1 76 GLU 0.62 0.22 1 77 GLN 0.99 -0.41 1 78 LYS 0.83 -0.14 1 79 GLN 0.06 -0.05 1 80 LEU -2.29 -0.14 1 81 ARG -0.52 0.16 1 82 ALA -0.89 0.48 1 83 ASP -3.37 2.53 1 86 SER 0.17 -0.25 1 87 THR 0.49 -0.24 1 88 ASP -0.58 -0.07 1 89 LEU 2.44 -0.34 1 90 ASN 2.59 -0.07 1 91 THR 1.21 -0.20 1 92 PHE -7.48 2.55 1 93 THR -2.96 1.36 1 94 VAL 6.56 -1.16 1 96 GLN 3.79 -0.54 1 97 LEU 3.11 0.27 1 98 LYS 4.46 -0.17 1 99 ALA 4.21 -1.24 1 100 GLN 3.71 -0.36 1 101 LEU 4.63 -1.22 1 102 THR 6.32 -1.39 1 103 GLU 3.07 -0.29 1 104 ARG -0.36 0.62 1 106 ILE -0.53 -0.07 1 107 THR 0.50 -0.21 1 108 PHE -5.12 1.75 1 109 LYS -0.26 0.18 1 110 GLN -3.80 1.79 1 111 SER -0.33 -0.94 1 112 ALA 0.04 0.44 1 113 THR -3.17 1.38 1 114 LYS 5.83 -0.77 1 115 ALA 3.47 -0.62 1 116 GLU 2.11 0.36 1 117 LEU 2.78 -0.28 1 118 ILE 5.53 -0.65 1 119 ALA 2.50 -0.80 1 120 LEU 1.03 -0.24 1 121 PHE 2.00 -0.25 1 122 ALA -0.25 0.55 1 124 ALA -0.41 0.29 1 125 ASP -0.05 0.16 1 127 GLU -0.58 0.45 1 128 LYS -0.30 0.02 1 129 SER -0.05 -0.06 1 130 GLU -0.95 0.58 1 131 ALA 0.04 1.27 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6780_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.48 _LACS_plot.Line_1_terminator_val_y_1 0.78 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.23 _LACS_plot.Line_2_terminator_val_x_2 6.55 _LACS_plot.Line_2_terminator_val_y_2 -0.58 _LACS_plot.Y_axis_chem_shift_offset -0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 102 THR 6.32 0.11 0 92 PHE -7.48 0.22 0 10 VAL -7.21 1.24 0 108 PHE -5.12 -0.28 0 11 VAL -2.33 0.73 1 12 VAL -3.44 0.58 1 13 GLN -1.33 0.50 1 14 ASN -3.18 0.10 1 15 ARG -0.37 0.26 1 16 ILE 2.41 -0.29 1 17 LYS -2.65 0.23 1 18 GLU 1.93 -0.14 1 20 TYR 0.61 -0.39 1 21 ARG -3.82 1.08 1 22 ARG -2.24 0.00 1 23 ALA 0.76 -0.21 1 25 PHE -3.44 -0.10 1 26 SER -0.59 0.26 1 27 PHE -1.64 0.14 1 28 HIS -1.72 0.48 1 29 LEU 1.83 0.04 1 31 ASP 1.29 0.18 1 32 ASN -4.12 0.42 1 33 SER 0.68 0.56 1 34 LEU -3.38 0.45 1 35 ALA -1.68 0.42 1 36 ALA 0.78 -0.06 1 37 VAL -1.24 0.46 1 38 SER -3.00 0.46 1 39 GLU 3.86 -0.24 1 40 SER 4.07 -0.11 1 41 GLN 2.84 -0.17 1 42 LEU 4.06 -0.46 1 43 ALA 4.05 -0.29 1 44 GLN 2.17 -0.12 1 45 LEU 2.84 -0.29 1 46 LYS 3.27 -0.43 1 47 ALA -0.14 -0.02 1 50 ARG 1.15 -0.07 1 51 LEU -3.96 0.07 1 52 VAL -1.06 0.22 1 53 VAL -2.01 0.54 1 54 GLN -4.01 0.39 1 55 ILE 0.30 0.30 1 56 THR -0.09 0.37 1 57 GLU -1.77 0.19 1 58 THR 0.17 0.06 1 60 SER -0.12 0.07 1 61 GLN -0.13 0.10 1 62 GLU -0.21 0.00 1 65 GLU -0.54 -0.01 1 67 LEU -0.09 0.09 1 68 SER 0.12 -0.01 1 69 LYS -0.70 0.12 1 72 ALA -0.43 0.07 1 74 SER 0.02 0.02 1 75 ASP 0.88 0.00 1 76 GLU 0.62 -0.12 1 77 GLN 0.99 -0.02 1 78 LYS 0.83 -0.03 1 79 GLN 0.06 0.01 1 80 LEU -2.29 0.03 1 81 ARG -0.52 0.05 1 82 ALA -0.89 -0.02 1 86 SER 0.17 0.00 1 87 THR 0.49 -0.11 1 88 ASP -0.58 -0.01 1 89 LEU 2.44 -0.53 1 90 ASN 2.59 -0.38 1 91 THR 1.21 -0.14 1 93 THR -2.96 0.52 1 94 VAL 6.56 -0.50 1 95 GLU -1.24 -0.41 1 96 GLN 3.79 -0.22 1 97 LEU 3.11 -0.36 1 98 LYS 4.46 -1.03 1 99 ALA 4.21 -0.10 1 100 GLN 3.71 -0.17 1 101 LEU 4.63 -0.53 1 103 GLU 3.07 -0.22 1 104 ARG -0.36 0.02 1 106 ILE -0.53 -0.01 1 107 THR 0.50 -0.30 1 109 LYS -0.26 0.05 1 111 SER -0.33 0.07 1 112 ALA 0.04 0.11 1 113 THR -3.17 0.38 1 114 LYS 5.83 -0.55 1 115 ALA 3.47 -0.27 1 116 GLU 2.11 -0.36 1 117 LEU 2.78 -0.29 1 118 ILE 5.53 -0.43 1 119 ALA 2.50 -0.05 1 120 LEU 1.03 -0.07 1 121 PHE 2.00 -0.47 1 124 ALA -0.41 0.06 1 125 ASP -0.05 0.00 1 128 LYS -0.30 0.12 1 129 SER -0.05 0.06 1 130 GLU -0.95 0.05 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6780_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.48 _LACS_plot.Line_1_terminator_val_y_1 -2.67 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.79 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.79 _LACS_plot.Line_2_terminator_val_x_2 6.55 _LACS_plot.Line_2_terminator_val_y_2 2.67 _LACS_plot.Y_axis_chem_shift_offset -0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 92 PHE -7.48 0.46 0 28 HIS -1.72 4.18 0 10 VAL -7.21 -1.63 1 11 VAL -2.33 -0.84 1 12 VAL -3.44 -0.41 1 13 GLN -1.33 -1.14 1 14 ASN -3.18 -1.01 1 15 ARG -0.37 -0.86 1 16 ILE 2.41 -0.72 1 17 LYS -2.65 -1.50 1 18 GLU 1.93 0.13 1 20 TYR 0.61 -1.94 1 21 ARG -3.82 -0.76 1 22 ARG -2.24 -1.74 1 23 ALA 0.76 -3.01 1 25 PHE -3.44 -1.36 1 26 SER -0.59 -0.45 1 27 PHE -1.64 1.17 1 29 LEU 1.83 0.31 1 31 ASP 1.29 0.29 1 32 ASN -4.12 -1.98 1 33 SER 0.68 -1.00 1 34 LEU -3.38 -2.26 1 35 ALA -1.68 -0.84 1 36 ALA 0.78 -1.82 1 37 VAL -1.24 -0.26 1 38 SER -3.00 0.58 1 39 GLU 3.86 2.60 1 40 SER 4.07 3.33 1 41 GLN 2.84 2.27 1 42 LEU 4.06 0.50 1 43 ALA 4.05 3.18 1 45 LEU 2.84 0.94 1 46 LYS 3.27 0.61 1 47 ALA -0.14 -1.14 1 50 ARG 1.15 0.05 1 51 LEU -3.96 -2.11 1 52 VAL -1.06 -1.27 1 53 VAL -2.01 -1.57 1 54 GLN -4.01 -1.18 1 55 ILE 0.30 0.01 1 56 THR -0.09 -0.67 1 57 GLU -1.77 -0.29 1 58 THR 0.17 0.32 1 60 SER -0.12 0.04 1 61 GLN -0.13 -0.02 1 62 GLU -0.21 0.41 1 65 GLU -0.54 0.59 1 67 LEU -0.09 -0.06 1 68 SER 0.12 -0.20 1 69 LYS -0.70 1.40 1 72 ALA -0.43 0.52 1 79 GLN 0.06 -0.09 1 80 LEU -2.29 -0.48 1 81 ARG -0.52 -0.78 1 82 ALA -0.89 -2.01 1 86 SER 0.17 0.17 1 87 THR 0.49 -0.86 1 88 ASP -0.58 0.85 1 89 LEU 2.44 -0.01 1 90 ASN 2.59 1.71 1 91 THR 1.21 0.12 1 93 THR -2.96 1.53 1 94 VAL 6.56 1.09 1 95 GLU -1.24 3.31 1 96 GLN 3.79 3.35 1 97 LEU 3.11 1.24 1 98 LYS 4.46 2.38 1 99 ALA 4.21 3.05 1 100 GLN 3.71 3.32 1 101 LEU 4.63 1.82 1 102 THR 6.32 3.75 1 103 GLU 3.07 1.34 1 104 ARG -0.36 -0.09 1 106 ILE -0.53 -0.77 1 107 THR 0.50 -1.93 1 108 PHE -5.12 0.77 1 111 SER -0.33 -0.34 1 112 ALA 0.04 -0.19 1 113 THR -3.17 0.41 1 114 LYS 5.83 0.85 1 115 ALA 3.47 3.37 1 116 GLU 2.11 2.59 1 117 LEU 2.78 1.68 1 118 ILE 5.53 2.65 1 119 ALA 2.50 1.53 1 120 LEU 1.03 0.06 1 121 PHE 2.00 -0.12 1 124 ALA -0.41 -0.13 1 125 ASP -0.05 0.54 1 128 LYS -0.30 -0.16 1 129 SER -0.05 -0.20 1 130 GLU -0.95 -1.50 1 stop_ save_