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 bmr15242_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.21 _LACS_plot.Line_1_terminator_val_y_1 -2.77 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.73 _LACS_plot.Line_2_terminator_val_x_2 6.20 _LACS_plot.Line_2_terminator_val_y_2 3.74 _LACS_plot.Y_axis_chem_shift_offset -0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 79 HIS -2.78 4.67 0 10 ALA 0.25 0.27 1 11 ALA -0.13 -0.03 1 12 ALA -0.10 0.05 1 13 VAL 0.47 0.31 1 14 ASN 0.05 0.11 1 17 SER -0.24 -0.04 1 18 SER 0.00 0.02 1 19 LEU -0.15 -0.04 1 21 LEU 0.53 0.62 1 22 PHE -2.13 -0.79 1 23 ASP -2.07 -2.36 1 26 THR 3.60 2.42 1 27 TRP -2.90 -4.04 1 28 ALA -1.87 -0.19 1 30 LYS 0.09 0.62 1 35 LEU 0.61 1.18 1 36 HIS -1.80 0.59 1 37 LEU -4.85 -2.61 1 38 ASP -1.41 -0.12 1 39 VAL 0.73 -0.51 1 40 VAL -4.83 -2.48 1 41 LYS -3.14 -0.59 1 43 ASP 0.51 0.10 1 44 LYS -2.95 -1.18 1 45 LEU 0.98 0.31 1 46 ILE 0.77 1.08 1 47 GLU -3.49 -1.38 1 48 LYS -3.48 -0.99 1 49 LEU -1.79 -2.41 1 50 ILE 2.78 0.98 1 51 ILE -0.27 -1.40 1 52 ASP -2.53 -1.52 1 53 GLU -2.60 0.69 1 54 LYS -2.91 -0.90 1 55 LYS 1.10 1.55 1 56 TYR -5.10 -1.86 1 57 TYR -6.18 -0.85 1 58 LEU -4.82 -1.41 1 59 PHE -4.96 -2.14 1 61 ARG -0.49 1.05 1 62 ASN -1.35 -0.41 1 64 ASP 2.21 1.73 1 65 LEU -3.47 -0.40 1 67 ASP 0.80 2.87 1 68 PHE -3.80 -2.48 1 69 THR -0.81 -1.05 1 70 ILE -1.23 -1.02 1 71 ASP 0.20 -0.13 1 72 HIS 0.40 4.70 1 73 GLN 4.09 2.74 1 74 SER 1.19 1.20 1 76 SER 1.31 2.51 1 77 ARG 6.21 5.61 1 78 VAL 1.96 2.23 1 80 ALA -6.15 -1.21 1 81 ALA -6.68 -2.65 1 82 LEU -4.98 -0.42 1 83 VAL -5.30 -1.54 1 84 TYR 0.58 1.08 1 85 HIS -3.57 0.98 1 86 LYS 2.18 2.40 1 87 HIS -0.59 2.55 1 88 LEU 0.60 0.13 1 89 LYS 5.47 0.89 1 90 ARG -7.21 -2.90 1 91 VAL 1.06 0.68 1 92 PHE -5.21 -0.88 1 93 LEU -6.90 -2.29 1 94 ILE -3.49 -0.88 1 95 ASP -2.10 0.84 1 96 LEU 2.03 -2.54 1 97 ASN 1.58 0.27 1 98 SER 3.84 0.80 1 99 THR 5.66 4.72 1 100 HIS -0.21 2.01 1 102 THR 1.94 2.03 1 103 PHE -3.15 -0.80 1 104 LEU -3.08 -2.00 1 106 HIS 0.26 1.53 1 107 ILE 0.03 -0.24 1 108 ARG -0.43 -0.47 1 109 LEU 2.73 1.30 1 110 GLU -1.26 -0.30 1 112 HIS 5.08 4.38 1 113 LYS -1.64 -1.07 1 115 GLN -4.48 -2.30 1 116 GLN 1.95 0.71 1 117 ILE -1.63 -3.24 1 119 ILE 4.48 1.18 1 120 ASP 6.00 3.20 1 121 SER 0.89 1.45 1 122 THR -0.95 0.63 1 123 VAL -5.68 -3.81 1 124 SER -2.86 -0.59 1 125 PHE -3.79 -1.19 1 127 ALA -1.94 -2.31 1 128 SER 0.99 -0.11 1 129 THR 1.37 0.55 1 130 ARG -0.19 0.90 1 131 ALA -4.12 -1.63 1 132 TYR -2.02 -1.31 1 133 THR -1.67 -0.54 1 134 LEU 0.35 0.71 1 135 ARG -6.06 -3.16 1 136 GLU -5.09 -2.29 1 137 LYS -0.74 0.14 1 139 GLN 0.02 0.25 1 140 THR 0.34 1.30 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15242_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.21 _LACS_plot.Line_1_terminator_val_y_1 4.44 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.89 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.27 _LACS_plot.Line_2_terminator_val_x_2 6.20 _LACS_plot.Line_2_terminator_val_y_2 -2.46 _LACS_plot.Y_axis_chem_shift_offset -0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 79 HIS -2.78 7.45 0 10 ALA 0.25 0.02 1 11 ALA -0.13 0.10 1 12 ALA -0.10 0.15 1 13 VAL 0.47 -0.16 1 14 ASN 0.05 0.06 1 17 SER -0.24 0.20 1 18 SER 0.00 0.02 1 19 LEU -0.15 0.11 1 21 LEU 0.53 0.09 1 22 PHE -2.13 1.34 1 23 ASP -2.07 -0.29 1 26 THR 3.60 -1.18 1 27 TRP -2.90 -1.14 1 28 ALA -1.87 1.68 1 30 LYS 0.09 0.53 1 35 LEU 0.61 0.57 1 36 HIS -1.80 2.39 1 37 LEU -4.85 2.24 1 38 ASP -1.41 1.29 1 39 VAL 0.73 -1.24 1 40 VAL -4.83 2.35 1 41 LYS -3.14 2.55 1 43 ASP 0.51 -0.41 1 44 LYS -2.95 1.77 1 45 LEU 0.98 -0.67 1 46 ILE 0.77 0.31 1 47 GLU -3.49 2.11 1 48 LYS -3.48 2.49 1 49 LEU -1.79 -0.62 1 50 ILE 2.78 -1.80 1 51 ILE -0.27 -1.13 1 52 ASP -2.53 1.01 1 53 GLU -2.60 3.29 1 54 LYS -2.91 2.01 1 55 LYS 1.10 0.45 1 56 TYR -5.10 3.24 1 57 TYR -6.18 5.33 1 58 LEU -4.82 3.41 1 59 PHE -4.96 2.82 1 61 ARG -0.49 1.54 1 62 ASN -1.35 0.94 1 64 ASP 2.21 -0.48 1 65 LEU -3.47 3.07 1 67 ASP 0.80 2.07 1 68 PHE -3.80 1.32 1 69 THR -0.81 -0.24 1 70 ILE -1.23 0.21 1 71 ASP 0.20 -0.33 1 72 HIS 0.40 4.30 1 73 GLN 4.09 -1.35 1 74 SER 1.19 0.01 1 76 SER 1.31 1.20 1 77 ARG 6.21 -0.60 1 78 VAL 1.96 0.27 1 80 ALA -6.15 4.94 1 81 ALA -6.68 4.03 1 82 LEU -4.98 4.56 1 83 VAL -5.30 3.76 1 84 TYR 0.58 0.50 1 85 HIS -3.57 4.55 1 86 LYS 2.18 0.22 1 87 HIS -0.59 3.14 1 88 LEU 0.60 -0.47 1 89 LYS 5.47 -4.58 1 90 ARG -7.21 4.31 1 91 VAL 1.06 -0.38 1 92 PHE -5.21 4.33 1 93 LEU -6.90 4.61 1 94 ILE -3.49 2.61 1 95 ASP -2.10 2.94 1 96 LEU 2.03 -4.57 1 97 ASN 1.58 -1.31 1 98 SER 3.84 -3.04 1 99 THR 5.66 -0.94 1 100 HIS -0.21 2.22 1 102 THR 1.94 0.09 1 103 PHE -3.15 2.35 1 104 LEU -3.08 1.08 1 106 HIS 0.26 1.27 1 107 ILE 0.03 -0.27 1 108 ARG -0.43 -0.04 1 109 LEU 2.73 -1.43 1 110 GLU -1.26 0.96 1 112 HIS 5.08 -0.70 1 113 LYS -1.64 0.57 1 115 GLN -4.48 2.18 1 116 GLN 1.95 -1.24 1 117 ILE -1.63 -1.61 1 119 ILE 4.48 -3.30 1 120 ASP 6.00 -2.80 1 121 SER 0.89 0.56 1 122 THR -0.95 1.58 1 123 VAL -5.68 1.87 1 124 SER -2.86 2.27 1 125 PHE -3.79 2.60 1 127 ALA -1.94 -0.37 1 128 SER 0.99 -1.10 1 129 THR 1.37 -0.82 1 130 ARG -0.19 1.09 1 131 ALA -4.12 2.49 1 132 TYR -2.02 0.71 1 133 THR -1.67 1.13 1 134 LEU 0.35 0.36 1 135 ARG -6.06 2.90 1 136 GLU -5.09 2.80 1 137 LYS -0.74 0.88 1 139 GLN 0.02 0.23 1 140 THR 0.34 0.96 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15242_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.21 _LACS_plot.Line_1_terminator_val_y_1 0.93 _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 0.32 _LACS_plot.Line_2_terminator_val_x_2 6.20 _LACS_plot.Line_2_terminator_val_y_2 -0.67 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 120 ASP 6.00 -0.25 0 79 HIS -2.78 -0.45 0 90 ARG -7.21 0.29 0 57 TYR -6.18 0.03 0 10 ALA 0.25 -0.03 1 11 ALA -0.13 -0.02 1 12 ALA -0.10 0.03 1 13 VAL 0.47 -0.01 1 14 ASN 0.05 0.05 1 17 SER -0.24 0.07 1 18 SER 0.00 0.04 1 19 LEU -0.15 -0.05 1 21 LEU 0.53 -0.05 1 22 PHE -2.13 -0.05 1 23 ASP -2.07 -0.34 1 26 THR 3.60 -0.35 1 27 TRP -2.90 -0.28 1 28 ALA -1.87 0.93 1 30 LYS 0.09 -0.40 1 35 LEU 0.61 0.35 1 36 HIS -1.80 0.61 1 37 LEU -4.85 0.99 1 38 ASP -1.41 0.42 1 39 VAL 0.73 0.39 1 40 VAL -4.83 0.90 1 41 LYS -3.14 0.29 1 43 ASP 0.51 -0.24 1 44 LYS -2.95 0.20 1 45 LEU 0.98 0.15 1 46 ILE 0.77 0.06 1 47 GLU -3.49 0.25 1 48 LYS -3.48 1.16 1 49 LEU -1.79 0.38 1 50 ILE 2.78 -0.20 1 51 ILE -0.27 0.41 1 52 ASP -2.53 0.11 1 53 GLU -2.60 0.19 1 54 LYS -2.91 0.16 1 55 LYS 1.10 0.05 1 56 TYR -5.10 1.28 1 58 LEU -4.82 1.10 1 59 PHE -4.96 0.90 1 61 ARG -0.49 0.25 1 62 ASN -1.35 0.10 1 64 ASP 2.21 -0.12 1 65 LEU -3.47 0.11 1 67 ASP 0.80 -0.49 1 68 PHE -3.80 0.40 1 69 THR -0.81 0.90 1 70 ILE -1.23 0.21 1 71 ASP 0.20 -0.01 1 72 HIS 0.40 -0.41 1 73 GLN 4.09 -0.34 1 74 SER 1.19 -0.10 1 76 SER 1.31 0.39 1 77 ARG 6.21 -0.56 1 78 VAL 1.96 -0.21 1 80 ALA -6.15 0.98 1 81 ALA -6.68 1.29 1 82 LEU -4.98 1.22 1 83 VAL -5.30 1.14 1 84 TYR 0.58 0.55 1 85 HIS -3.57 0.21 1 86 LYS 2.18 -0.08 1 87 HIS -0.59 0.21 1 88 LEU 0.60 -0.24 1 89 LYS 5.47 -0.44 1 91 VAL 1.06 0.34 1 92 PHE -5.21 0.70 1 93 LEU -6.90 1.21 1 94 ILE -3.49 0.22 1 95 ASP -2.10 -0.02 1 96 LEU 2.03 0.01 1 97 ASN 1.58 -0.57 1 98 SER 3.84 -0.42 1 99 THR 5.66 -0.54 1 100 HIS -0.21 0.19 1 102 THR 1.94 0.32 1 103 PHE -3.15 0.64 1 104 LEU -3.08 0.54 1 106 HIS 0.26 -0.09 1 107 ILE 0.03 -0.09 1 108 ARG -0.43 -0.18 1 109 LEU 2.73 -0.18 1 110 GLU -1.26 0.08 1 112 HIS 5.08 -0.76 1 113 LYS -1.64 0.54 1 115 GLN -4.48 0.50 1 116 GLN 1.95 -0.80 1 117 ILE -1.63 0.13 1 119 ILE 4.48 -0.73 1 121 SER 0.89 0.24 1 122 THR -0.95 0.88 1 123 VAL -5.68 1.25 1 124 SER -2.86 0.05 1 125 PHE -3.79 0.43 1 127 ALA -1.94 0.17 1 128 SER 0.99 -0.68 1 129 THR 1.37 -0.06 1 130 ARG -0.19 0.16 1 131 ALA -4.12 0.46 1 132 TYR -2.02 0.71 1 133 THR -1.67 0.97 1 134 LEU 0.35 0.09 1 135 ARG -6.06 0.44 1 136 GLU -5.09 0.34 1 137 LYS -0.74 0.12 1 139 GLN 0.02 0.07 1 140 THR 0.34 -0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15242_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.21 _LACS_plot.Line_1_terminator_val_y_1 -2.09 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.38 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.05 _LACS_plot.Line_2_terminator_val_x_2 6.20 _LACS_plot.Line_2_terminator_val_y_2 0.17 _LACS_plot.Y_axis_chem_shift_offset 0.75 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 87 HIS -0.59 3.65 0 10 ALA 0.25 -0.31 1 11 ALA -0.13 -0.25 1 12 ALA -0.10 0.13 1 13 VAL 0.47 -0.24 1 18 SER 0.00 -0.67 1 19 LEU -0.15 -0.70 1 21 LEU 0.53 -1.07 1 22 PHE -2.13 -3.16 1 23 ASP -2.07 -3.38 1 26 THR 3.60 -0.05 1 27 TRP -2.90 -0.99 1 28 ALA -1.87 0.03 1 30 LYS 0.09 -0.44 1 35 LEU 0.61 -1.42 1 36 HIS -1.80 -2.67 1 37 LEU -4.85 -1.03 1 38 ASP -1.41 -0.83 1 39 VAL 0.73 -1.41 1 40 VAL -4.83 -1.21 1 41 LYS -3.14 0.43 1 43 ASP 0.51 -1.23 1 44 LYS -2.95 -2.32 1 45 LEU 0.98 -0.73 1 46 ILE 0.77 -0.28 1 47 GLU -3.49 -4.26 1 48 LYS -3.48 -0.58 1 49 LEU -1.79 -1.61 1 50 ILE 2.78 0.18 1 51 ILE -0.27 -2.82 1 52 ASP -2.53 0.55 1 53 GLU -2.60 -0.48 1 54 LYS -2.91 -2.24 1 55 LYS 1.10 -1.64 1 56 TYR -5.10 -3.57 1 57 TYR -6.18 -1.13 1 58 LEU -4.82 -1.06 1 59 PHE -4.96 0.30 1 61 ARG -0.49 0.20 1 64 ASP 2.21 0.73 1 65 LEU -3.47 -1.02 1 67 ASP 0.80 -0.95 1 68 PHE -3.80 -1.37 1 69 THR -0.81 0.82 1 70 ILE -1.23 -1.51 1 71 ASP 0.20 -0.29 1 72 HIS 0.40 2.52 1 73 GLN 4.09 -0.12 1 74 SER 1.19 0.11 1 76 SER 1.31 -0.35 1 77 ARG 6.21 -0.46 1 78 VAL 1.96 -2.48 1 79 HIS -2.78 -0.10 1 80 ALA -6.15 -3.65 1 81 ALA -6.68 -2.96 1 82 LEU -4.98 -1.90 1 83 VAL -5.30 -2.27 1 84 TYR 0.58 -1.93 1 85 HIS -3.57 1.89 1 86 LYS 2.18 0.01 1 88 LEU 0.60 -0.90 1 89 LYS 5.47 -0.93 1 90 ARG -7.21 -3.07 1 91 VAL 1.06 -1.99 1 92 PHE -5.21 -2.32 1 93 LEU -6.90 -2.25 1 94 ILE -3.49 -0.77 1 95 ASP -2.10 -0.20 1 96 LEU 2.03 -1.13 1 97 ASN 1.58 -0.07 1 98 SER 3.84 1.53 1 99 THR 5.66 1.94 1 100 HIS -0.21 1.78 1 102 THR 1.94 -2.69 1 103 PHE -3.15 -1.66 1 104 LEU -3.08 -0.36 1 106 HIS 0.26 0.95 1 107 ILE 0.03 -1.90 1 108 ARG -0.43 0.14 1 109 LEU 2.73 0.05 1 112 HIS 5.08 -0.22 1 115 GLN -4.48 -1.63 1 116 GLN 1.95 -1.15 1 119 ILE 4.48 0.47 1 120 ASP 6.00 -0.80 1 121 SER 0.89 -2.50 1 122 THR -0.95 -1.18 1 123 VAL -5.68 -2.25 1 124 SER -2.86 -3.33 1 125 PHE -3.79 -0.64 1 127 ALA -1.94 -0.30 1 128 SER 0.99 1.75 1 129 THR 1.37 0.65 1 130 ARG -0.19 -1.60 1 131 ALA -4.12 -2.52 1 132 TYR -2.02 -0.84 1 133 THR -1.67 -0.69 1 134 LEU 0.35 -2.97 1 135 ARG -6.06 -1.59 1 136 GLU -5.09 -0.84 1 139 GLN 0.02 -0.41 1 stop_ save_