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 bmr6053_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.36 _LACS_plot.Line_1_terminator_val_y_1 -3.05 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.06 _LACS_plot.Line_2_terminator_val_x_2 7.33 _LACS_plot.Line_2_terminator_val_y_2 5.48 _LACS_plot.Y_axis_chem_shift_offset -0.34 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 117 HIS 5.05 7.28 0 111 MET -7.36 -0.49 0 10 ASP 3.97 3.41 1 11 GLN 3.72 3.24 1 12 ARG 5.56 3.76 1 13 TRP 0.67 1.51 1 14 GLN 4.83 3.36 1 15 SER 5.66 5.07 1 16 VAL 5.71 3.89 1 17 LEU 3.18 2.39 1 18 ALA -0.61 -0.37 1 19 ARG 2.65 0.05 1 20 ASP -1.78 -0.33 1 22 ASN 2.87 2.13 1 23 ALA -0.79 -0.57 1 24 ASP 3.92 2.41 1 26 GLU 0.34 1.41 1 27 PHE -0.94 -1.39 1 28 VAL -4.68 -2.53 1 29 PHE -6.98 -2.83 1 30 ALA -4.90 -2.55 1 31 VAL 0.19 -0.39 1 32 ARG 4.13 4.01 1 33 THR 3.22 1.51 1 34 THR -0.57 -0.26 1 36 ILE -3.93 -1.91 1 37 PHE -6.19 -2.88 1 39 ARG -0.84 -0.29 1 41 SER 1.82 0.27 1 43 ARG 1.42 1.16 1 44 ALA -0.04 1.02 1 45 ARG 0.50 0.45 1 46 HIS -0.49 1.22 1 47 ALA -4.59 -1.57 1 48 LEU -0.61 -0.51 1 49 ARG 4.12 2.42 1 50 GLU 2.55 1.62 1 51 ASN -2.10 -0.32 1 52 VAL -2.03 -0.60 1 53 SER -4.41 -1.74 1 54 PHE -3.15 -0.54 1 55 TYR -5.13 -0.60 1 56 ALA 1.58 2.59 1 57 ASN -3.16 -1.61 1 58 ALA 2.28 2.23 1 59 SER 5.64 4.11 1 60 GLU 1.52 2.46 1 61 ALA 4.43 2.04 1 62 LEU 2.09 2.30 1 63 ALA 3.05 2.06 1 64 ALA -0.58 -0.43 1 66 PHE -1.73 0.40 1 67 ARG -2.47 -1.39 1 70 LYS 1.72 1.49 1 71 ARG 2.12 2.11 1 73 GLN 3.38 2.64 1 75 GLU 1.24 0.38 1 76 LYS -0.39 -0.12 1 77 ALA 0.21 0.56 1 78 ASN -0.09 0.17 1 79 ALA 0.38 0.56 1 80 GLN 0.76 0.75 1 81 GLN 1.82 1.39 1 82 HIS -0.34 1.73 1 83 ARG 1.09 1.38 1 84 LEU 1.69 1.33 1 85 ASP 2.03 2.19 1 86 LYS 3.78 3.48 1 87 ILE 4.36 0.21 1 88 THR 7.33 5.62 1 89 HIS 1.14 3.16 1 90 ALA 4.22 3.04 1 93 LEU 2.33 1.84 1 94 LEU -1.67 0.24 1 96 GLN -2.30 -0.90 1 97 GLU 1.78 2.65 1 98 THR 1.59 1.18 1 100 VAL -2.69 -1.27 1 101 THR -1.79 -0.89 1 102 LEU 4.09 3.02 1 103 GLU 5.47 4.46 1 104 ALA 2.56 2.29 1 105 LEU 2.16 2.60 1 106 ALA 4.12 2.94 1 107 ASP 1.87 2.19 1 108 GLN 2.78 3.24 1 109 VAL -0.29 -1.36 1 110 ALA 2.79 0.30 1 112 SER 0.23 0.07 1 114 PHE 3.57 3.20 1 115 HIS 1.22 3.90 1 116 LEU 4.62 3.16 1 118 ARG 3.50 3.33 1 119 LEU 2.54 2.26 1 120 PHE 4.15 4.80 1 121 LYS 3.19 2.52 1 122 ALA 2.23 2.06 1 123 THR 4.23 4.00 1 124 THR -0.83 1.02 1 126 MET -6.34 -1.12 1 127 THR 2.02 0.53 1 129 LYS 3.59 3.34 1 130 ALA 2.31 2.47 1 133 GLN 4.60 3.48 1 134 ALA 3.80 2.38 1 135 TRP 5.90 4.69 1 136 ARG 4.06 3.88 1 137 ALA 3.05 2.06 1 138 ARG 3.85 2.77 1 139 ARG 3.03 1.60 1 140 LEU 2.19 1.83 1 141 ARG 2.42 2.04 1 142 GLU 0.76 1.00 1 143 SER 1.26 1.06 1 144 LEU 0.36 0.27 1 145 ALA -0.71 -0.43 1 146 LYS 0.94 1.60 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6053_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.36 _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 -0.74 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.94 _LACS_plot.Line_2_terminator_val_x_2 7.33 _LACS_plot.Line_2_terminator_val_y_2 -1.85 _LACS_plot.Y_axis_chem_shift_offset -0.34 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 117 HIS 5.05 2.23 0 111 MET -7.36 6.87 0 10 ASP 3.97 -0.56 1 11 GLN 3.72 -0.48 1 12 ARG 5.56 -1.80 1 13 TRP 0.67 0.84 1 14 GLN 4.83 -1.47 1 15 SER 5.66 -0.59 1 16 VAL 5.71 -1.82 1 17 LEU 3.18 -0.79 1 18 ALA -0.61 0.24 1 19 ARG 2.65 -2.60 1 20 ASP -1.78 1.45 1 22 ASN 2.87 -0.74 1 23 ALA -0.79 0.22 1 24 ASP 3.92 -1.51 1 26 GLU 0.34 1.07 1 27 PHE -0.94 -0.45 1 28 VAL -4.68 2.15 1 29 PHE -6.98 4.15 1 30 ALA -4.90 2.35 1 31 VAL 0.19 -0.58 1 32 ARG 4.13 -0.12 1 33 THR 3.22 -1.71 1 34 THR -0.57 0.31 1 36 ILE -3.93 2.02 1 37 PHE -6.19 3.31 1 39 ARG -0.84 0.55 1 41 SER 1.82 -1.55 1 43 ARG 1.42 -0.26 1 44 ALA -0.04 1.06 1 45 ARG 0.50 -0.05 1 46 HIS -0.49 1.71 1 47 ALA -4.59 3.02 1 48 LEU -0.61 0.10 1 49 ARG 4.12 -1.70 1 50 GLU 2.55 -0.93 1 51 ASN -2.10 1.78 1 52 VAL -2.03 1.43 1 53 SER -4.41 2.67 1 54 PHE -3.15 2.61 1 55 TYR -5.13 4.53 1 56 ALA 1.58 1.01 1 57 ASN -3.16 1.55 1 58 ALA 2.28 -0.05 1 59 SER 5.64 -1.53 1 60 GLU 1.52 0.94 1 61 ALA 4.43 -2.39 1 62 LEU 2.09 0.21 1 63 ALA 3.05 -0.99 1 64 ALA -0.58 0.15 1 66 PHE -1.73 2.13 1 67 ARG -2.47 1.08 1 70 LYS 1.72 -0.23 1 71 ARG 2.12 -0.01 1 73 GLN 3.38 -0.74 1 75 GLU 1.24 -0.86 1 76 LYS -0.39 0.27 1 77 ALA 0.21 0.35 1 78 ASN -0.09 0.26 1 79 ALA 0.38 0.18 1 80 GLN 0.76 -0.01 1 81 GLN 1.82 -0.43 1 82 HIS -0.34 2.07 1 83 ARG 1.09 0.29 1 84 LEU 1.69 -0.36 1 85 ASP 2.03 0.16 1 86 LYS 3.78 -0.30 1 87 ILE 4.36 -4.15 1 88 THR 7.33 -1.71 1 89 HIS 1.14 2.02 1 90 ALA 4.22 -1.18 1 93 LEU 2.33 -0.49 1 94 LEU -1.67 1.91 1 96 GLN -2.30 1.40 1 97 GLU 1.78 0.87 1 98 THR 1.59 -0.41 1 100 VAL -2.69 1.42 1 101 THR -1.79 0.90 1 102 LEU 4.09 -1.07 1 103 GLU 5.47 -1.01 1 104 ALA 2.56 -0.27 1 105 LEU 2.16 0.44 1 106 ALA 4.12 -1.18 1 107 ASP 1.87 0.32 1 108 GLN 2.78 0.46 1 109 VAL -0.29 -1.07 1 110 ALA 2.79 -2.49 1 112 SER 0.23 -0.16 1 114 PHE 3.57 -0.37 1 115 HIS 1.22 2.68 1 116 LEU 4.62 -1.46 1 118 ARG 3.50 -0.17 1 119 LEU 2.54 -0.28 1 120 PHE 4.15 0.65 1 121 LYS 3.19 -0.67 1 122 ALA 2.23 -0.17 1 123 THR 4.23 -0.23 1 124 THR -0.83 1.85 1 126 MET -6.34 5.22 1 127 THR 2.02 -1.49 1 129 LYS 3.59 -0.25 1 130 ALA 2.31 0.16 1 133 GLN 4.60 -1.12 1 134 ALA 3.80 -1.42 1 135 TRP 5.90 -1.21 1 136 ARG 4.06 -0.18 1 137 ALA 3.05 -0.99 1 138 ARG 3.85 -1.08 1 139 ARG 3.03 -1.43 1 140 LEU 2.19 -0.36 1 141 ARG 2.42 -0.38 1 142 GLU 0.76 0.24 1 143 SER 1.26 -0.20 1 144 LEU 0.36 -0.09 1 145 ALA -0.71 0.28 1 146 LYS 0.94 0.66 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6053_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.36 _LACS_plot.Line_1_terminator_val_y_1 0.56 _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 0.15 _LACS_plot.Line_2_terminator_val_x_2 7.33 _LACS_plot.Line_2_terminator_val_y_2 -0.59 _LACS_plot.Y_axis_chem_shift_offset 0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 61 ALA 4.43 -1.60 0 49 ARG 4.12 -1.68 0 10 ASP 3.97 -0.15 1 11 GLN 3.72 -0.31 1 12 ARG 5.56 -0.78 1 13 TRP 0.67 0.03 1 14 GLN 4.83 -0.61 1 15 SER 5.66 -0.11 1 16 VAL 5.71 -0.37 1 17 LEU 3.18 -0.96 1 18 ALA -0.61 -0.14 1 19 ARG 2.65 -0.06 1 20 ASP -1.78 -0.33 1 22 ASN 2.87 -0.20 1 23 ALA -0.79 0.09 1 24 ASP 3.92 -0.23 1 26 GLU 0.34 0.12 1 27 PHE -0.94 0.49 1 28 VAL -4.68 0.94 1 29 PHE -6.98 1.36 1 30 ALA -4.90 0.53 1 31 VAL 0.19 0.60 1 32 ARG 4.13 -0.05 1 33 THR 3.22 -0.13 1 34 THR -0.57 0.23 1 36 ILE -3.93 1.38 1 37 PHE -6.19 1.22 1 39 ARG -0.84 0.28 1 41 SER 1.82 -0.73 1 43 ARG 1.42 -0.24 1 44 ALA -0.04 -0.09 1 45 ARG 0.50 -0.28 1 46 HIS -0.49 -0.05 1 47 ALA -4.59 0.29 1 48 LEU -0.61 0.17 1 50 GLU 2.55 -0.23 1 51 ASN -2.10 0.37 1 52 VAL -2.03 1.02 1 53 SER -4.41 0.00 1 54 PHE -3.15 0.79 1 55 TYR -5.13 0.20 1 56 ALA 1.58 -0.01 1 57 ASN -3.16 -0.20 1 58 ALA 2.28 -0.71 1 59 SER 5.64 -0.38 1 60 GLU 1.52 -0.35 1 62 LEU 2.09 0.15 1 63 ALA 3.05 -0.20 1 64 ALA -0.58 0.04 1 66 PHE -1.73 0.03 1 67 ARG -2.47 0.44 1 70 LYS 1.72 -0.15 1 71 ARG 2.12 0.00 1 73 GLN 3.38 -0.18 1 75 GLU 1.24 -0.07 1 76 LYS -0.39 0.08 1 77 ALA 0.21 -0.01 1 78 ASN -0.09 -0.01 1 79 ALA 0.38 -0.01 1 80 GLN 0.76 -0.05 1 81 GLN 1.82 -0.18 1 82 HIS -0.34 0.05 1 83 ARG 1.09 -0.11 1 84 LEU 1.69 -0.13 1 85 ASP 2.03 -0.16 1 86 LYS 3.78 -0.15 1 87 ILE 4.36 -0.31 1 88 THR 7.33 -0.67 1 89 HIS 1.14 -0.39 1 90 ALA 4.22 -0.53 1 93 LEU 2.33 -0.41 1 94 LEU -1.67 -0.25 1 96 GLN -2.30 -0.05 1 97 GLU 1.78 -0.07 1 98 THR 1.59 -0.13 1 100 VAL -2.69 0.23 1 101 THR -1.79 0.06 1 102 LEU 4.09 -0.39 1 103 GLU 5.47 -0.55 1 104 ALA 2.56 -0.09 1 105 LEU 2.16 -0.54 1 106 ALA 4.12 -0.51 1 107 ASP 1.87 -0.16 1 108 GLN 2.78 -0.24 1 109 VAL -0.29 0.32 1 110 ALA 2.79 -0.18 1 111 MET -7.36 0.30 1 112 SER 0.23 0.06 1 114 PHE 3.57 -0.30 1 115 HIS 1.22 -0.32 1 116 LEU 4.62 -0.20 1 117 HIS 5.05 -0.98 1 118 ARG 3.50 -0.34 1 119 LEU 2.54 -0.06 1 120 PHE 4.15 -0.92 1 121 LYS 3.19 0.16 1 122 ALA 2.23 -0.19 1 123 THR 4.23 -0.31 1 124 THR -0.83 0.04 1 126 MET -6.34 0.60 1 127 THR 2.02 -0.24 1 129 LYS 3.59 -0.05 1 130 ALA 2.31 -0.02 1 133 GLN 4.60 -0.19 1 134 ALA 3.80 -0.15 1 135 TRP 5.90 -0.81 1 136 ARG 4.06 -0.86 1 137 ALA 3.05 -0.21 1 138 ARG 3.85 -0.39 1 139 ARG 3.03 -0.50 1 140 LEU 2.19 -0.19 1 141 ARG 2.42 -0.17 1 142 GLU 0.76 -0.17 1 143 SER 1.26 -0.06 1 144 LEU 0.36 0.03 1 145 ALA -0.71 0.04 1 146 LYS 0.94 -0.16 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6053_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.36 _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 0.98 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.65 _LACS_plot.Line_2_terminator_val_x_2 7.33 _LACS_plot.Line_2_terminator_val_y_2 3.12 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 104 ALA 2.56 -7.53 0 10 ASP 3.97 2.72 1 11 GLN 3.72 3.40 1 12 ARG 5.56 1.70 1 13 TRP 0.67 1.01 1 14 GLN 4.83 3.42 1 15 SER 5.66 0.40 1 16 VAL 5.71 2.78 1 17 LEU 3.18 1.98 1 18 ALA -0.61 1.92 1 19 ARG 2.65 3.42 1 22 ASN 2.87 0.59 1 23 ALA -0.79 -0.59 1 24 ASP 3.92 1.55 1 26 GLU 0.34 -0.64 1 27 PHE -0.94 -2.04 1 28 VAL -4.68 -1.46 1 29 PHE -6.98 -4.58 1 30 ALA -4.90 -2.31 1 31 VAL 0.19 1.39 1 32 ARG 4.13 1.48 1 33 THR 3.22 1.48 1 34 THR -0.57 1.74 1 36 ILE -3.93 -0.18 1 37 PHE -6.19 -4.46 1 41 SER 1.82 -0.28 1 43 ARG 1.42 -0.24 1 44 ALA -0.04 -0.01 1 45 ARG 0.50 0.54 1 46 HIS -0.49 1.09 1 47 ALA -4.59 -1.73 1 48 LEU -0.61 0.82 1 49 ARG 4.12 1.92 1 50 GLU 2.55 -0.13 1 51 ASN -2.10 -1.41 1 52 VAL -2.03 -1.22 1 53 SER -4.41 -2.95 1 54 PHE -3.15 -1.55 1 55 TYR -5.13 -2.59 1 56 ALA 1.58 -0.42 1 57 ASN -3.16 -0.82 1 58 ALA 2.28 0.01 1 59 SER 5.64 2.88 1 60 GLU 1.52 2.04 1 61 ALA 4.43 1.34 1 62 LEU 2.09 -6.06 1 63 ALA 3.05 0.81 1 64 ALA -0.58 -0.94 1 66 PHE -1.73 -1.38 1 70 LYS 1.72 0.38 1 71 ARG 2.12 1.57 1 75 GLU 1.24 -0.50 1 76 LYS -0.39 -0.38 1 77 ALA 0.21 -0.19 1 78 ASN -0.09 0.03 1 79 ALA 0.38 0.55 1 80 GLN 0.76 0.81 1 82 HIS -0.34 4.78 1 83 ARG 1.09 0.72 1 84 LEU 1.69 1.13 1 85 ASP 2.03 1.94 1 86 LYS 3.78 1.75 1 87 ILE 4.36 1.64 1 88 THR 7.33 1.59 1 89 HIS 1.14 2.74 1 90 ALA 4.22 0.56 1 93 LEU 2.33 0.13 1 94 LEU -1.67 -1.06 1 96 GLN -2.30 -1.06 1 97 GLU 1.78 1.01 1 100 VAL -2.69 -0.29 1 101 THR -1.79 0.21 1 102 LEU 4.09 0.73 1 103 GLU 5.47 1.91 1 105 LEU 2.16 0.43 1 106 ALA 4.12 1.72 1 107 ASP 1.87 2.97 1 108 GLN 2.78 2.04 1 109 VAL -0.29 -1.99 1 110 ALA 2.79 -1.91 1 111 MET -7.36 -1.59 1 114 PHE 3.57 2.15 1 115 HIS 1.22 3.95 1 116 LEU 4.62 -0.01 1 117 HIS 5.05 2.76 1 118 ARG 3.50 3.16 1 119 LEU 2.54 2.10 1 120 PHE 4.15 3.19 1 121 LYS 3.19 3.52 1 122 ALA 2.23 1.45 1 123 THR 4.23 0.82 1 124 THR -0.83 1.57 1 126 MET -6.34 -2.88 1 129 LYS 3.59 2.51 1 133 GLN 4.60 2.82 1 134 ALA 3.80 1.93 1 135 TRP 5.90 2.24 1 136 ARG 4.06 -0.24 1 137 ALA 3.05 2.10 1 138 ARG 3.85 1.55 1 139 ARG 3.03 2.13 1 140 LEU 2.19 1.09 1 141 ARG 2.42 1.72 1 142 GLU 0.76 0.96 1 143 SER 1.26 0.18 1 144 LEU 0.36 -0.57 1 145 ALA -0.71 -1.24 1 stop_ save_