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 bmr15112_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.01 _LACS_plot.Line_1_terminator_val_y_1 -3.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.94 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.71 _LACS_plot.Line_2_terminator_val_x_2 5.31 _LACS_plot.Line_2_terminator_val_y_2 2.60 _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 133 ASN 5.31 -0.21 0 10 VAL -5.19 -3.22 1 11 THR -5.44 -2.17 1 12 ALA 2.74 1.83 1 13 GLN 0.27 0.46 1 15 VAL 0.95 0.52 1 17 GLN -0.12 0.39 1 18 SER 0.34 -0.03 1 19 ILE 1.10 -0.12 1 21 THR -6.84 -2.75 1 22 VAL -3.01 -0.79 1 23 VAL -0.70 -0.60 1 24 ILE -1.45 -1.54 1 25 ASP -5.56 -1.29 1 26 GLU 0.23 -0.11 1 27 THR -5.36 -1.90 1 28 GLU 3.06 2.07 1 31 LEU 0.07 0.08 1 32 LYS -5.17 -1.83 1 33 PHE -1.61 -1.88 1 34 THR 1.02 0.33 1 36 HIS 1.11 0.32 1 37 LEU -6.56 -2.26 1 38 LYS -4.07 -1.97 1 39 ALA 2.52 0.06 1 40 LEU -3.73 -1.01 1 44 GLU -1.81 -1.05 1 45 HIS -3.87 -1.55 1 47 PHE -5.47 -4.51 1 48 HIS -0.15 -1.04 1 49 ILE -0.91 1.27 1 50 HIS 1.62 2.82 1 51 ALA -4.32 -2.81 1 52 ASN -2.18 -1.57 1 54 SER 2.39 0.45 1 56 GLN -4.51 -1.56 1 58 ALA 1.11 -1.20 1 59 ILE -3.02 -0.96 1 60 LYS 2.92 1.19 1 61 ASP -4.92 -2.40 1 63 GLN 0.62 0.27 1 64 ALA -1.76 -0.42 1 65 VAL 1.94 1.30 1 66 ALA 1.09 -0.07 1 67 ALA 0.70 0.34 1 68 GLU 1.98 1.26 1 69 ALA -0.15 1.47 1 70 ALA -1.37 -0.43 1 73 HIS 2.35 1.79 1 74 LEU -0.53 0.13 1 75 ASP 0.90 -0.30 1 77 GLN 3.49 1.19 1 78 ASN 2.36 2.52 1 79 THR -4.94 -1.88 1 81 LYS -2.38 0.32 1 82 HIS -5.84 -2.34 1 83 GLU -1.26 -1.45 1 86 GLU -1.10 -1.81 1 88 GLN -0.61 0.89 1 90 HIS 0.50 1.77 1 91 LEU 3.65 1.86 1 93 ASP 2.44 -0.60 1 94 LEU -0.40 -0.61 1 96 VAL -2.78 -1.96 1 97 LEU 1.55 0.77 1 98 VAL -0.89 -1.49 1 99 VAL -0.16 -0.83 1 100 ASN 3.64 2.60 1 101 ASN -0.23 -0.15 1 102 ASP -3.36 -2.34 1 104 ILE -4.43 -2.04 1 105 ALA -1.98 -0.75 1 106 THR -0.81 -0.25 1 107 GLU -5.65 -3.45 1 109 VAL -1.42 -0.14 1 110 THR -5.94 -2.60 1 111 ALA 0.78 1.42 1 113 ARG -3.21 -1.35 1 114 LEU -2.34 -0.95 1 115 LYS -4.57 -2.58 1 116 SER 3.20 2.04 1 117 LEU 3.73 2.88 1 118 ASP 0.18 1.75 1 119 GLU -1.24 -3.08 1 120 VAL 1.65 1.45 1 121 LYS 3.18 1.16 1 122 ASP -4.26 -3.55 1 123 LYS -3.44 -1.43 1 124 ALA -2.72 -1.15 1 125 LEU -9.01 -2.56 1 126 MET -3.41 -1.30 1 127 ILE -0.08 1.27 1 128 HIS 4.17 4.08 1 129 VAL -3.50 -0.80 1 132 ASP -0.21 -1.64 1 134 MET -2.77 -2.63 1 135 SER -0.19 1.25 1 136 ASP -2.36 -1.10 1 137 GLN -3.92 -2.14 1 139 LYS 4.20 -0.40 1 141 LEU 2.48 2.49 1 146 THR 3.86 1.69 1 147 ARG -1.77 1.58 1 148 TYR -5.79 -1.70 1 149 ALA 0.78 0.67 1 152 VAL 2.09 0.87 1 153 ILE 0.90 0.91 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15112_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.01 _LACS_plot.Line_1_terminator_val_y_1 5.10 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.29 _LACS_plot.Line_2_terminator_val_x_2 5.31 _LACS_plot.Line_2_terminator_val_y_2 -2.71 _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 133 ASN 5.31 -5.52 0 10 VAL -5.19 1.97 1 11 THR -5.44 3.27 1 12 ALA 2.74 -0.91 1 13 GLN 0.27 0.19 1 15 VAL 0.95 -0.43 1 17 GLN -0.12 0.51 1 18 SER 0.34 -0.37 1 19 ILE 1.10 -1.22 1 21 THR -6.84 4.09 1 22 VAL -3.01 2.22 1 23 VAL -0.70 0.10 1 24 ILE -1.45 -0.09 1 25 ASP -5.56 4.27 1 26 GLU 0.23 -0.34 1 27 THR -5.36 3.46 1 28 GLU 3.06 -0.99 1 31 LEU 0.07 0.01 1 32 LYS -5.17 3.34 1 33 PHE -1.61 -0.27 1 34 THR 1.02 -0.69 1 36 HIS 1.11 -0.79 1 37 LEU -6.56 4.30 1 38 LYS -4.07 2.10 1 39 ALA 2.52 -2.46 1 40 LEU -3.73 2.72 1 44 GLU -1.81 0.76 1 45 HIS -3.87 2.32 1 47 PHE -5.47 0.96 1 48 HIS -0.15 -0.89 1 49 ILE -0.91 2.18 1 50 HIS 1.62 1.20 1 51 ALA -4.32 1.51 1 52 ASN -2.18 0.61 1 54 SER 2.39 -1.94 1 56 GLN -4.51 2.95 1 58 ALA 1.11 -2.31 1 59 ILE -3.02 2.06 1 60 LYS 2.92 -1.73 1 61 ASP -4.92 2.52 1 63 GLN 0.62 -0.35 1 64 ALA -1.76 1.34 1 65 VAL 1.94 -0.64 1 66 ALA 1.09 -1.16 1 67 ALA 0.70 -0.36 1 68 GLU 1.98 -0.72 1 69 ALA -0.15 1.62 1 70 ALA -1.37 0.94 1 73 HIS 2.35 -0.56 1 74 LEU -0.53 0.66 1 75 ASP 0.90 -1.20 1 77 GLN 3.49 -2.30 1 78 ASN 2.36 0.16 1 79 THR -4.94 3.06 1 81 LYS -2.38 2.70 1 82 HIS -5.84 3.50 1 83 GLU -1.26 -0.19 1 86 GLU -1.10 -0.71 1 88 GLN -0.61 1.50 1 90 HIS 0.50 1.27 1 91 LEU 3.65 -1.79 1 93 ASP 2.44 -3.04 1 94 LEU -0.40 -0.21 1 96 VAL -2.78 0.82 1 97 LEU 1.55 -0.78 1 98 VAL -0.89 -0.60 1 99 VAL -0.16 -0.67 1 100 ASN 3.64 -1.04 1 101 ASN -0.23 0.08 1 102 ASP -3.36 1.02 1 104 ILE -4.43 2.39 1 105 ALA -1.98 1.23 1 106 THR -0.81 0.56 1 107 GLU -5.65 2.20 1 109 VAL -1.42 1.28 1 110 THR -5.94 3.34 1 111 ALA 0.78 0.64 1 113 ARG -3.21 1.86 1 114 LEU -2.34 1.39 1 115 LYS -4.57 1.99 1 116 SER 3.20 -1.16 1 117 LEU 3.73 -0.85 1 118 ASP 0.18 1.57 1 119 GLU -1.24 -1.84 1 120 VAL 1.65 -0.20 1 121 LYS 3.18 -2.02 1 122 ASP -4.26 0.71 1 123 LYS -3.44 2.01 1 124 ALA -2.72 1.57 1 125 LEU -9.01 6.45 1 126 MET -3.41 2.11 1 127 ILE -0.08 1.35 1 128 HIS 4.17 -0.09 1 129 VAL -3.50 2.70 1 132 ASP -0.21 -1.43 1 134 MET -2.77 0.14 1 135 SER -0.19 1.44 1 136 ASP -2.36 1.26 1 137 GLN -3.92 1.78 1 139 LYS 4.20 -4.60 1 141 LEU 2.48 0.01 1 146 THR 3.86 -2.17 1 147 ARG -1.77 3.35 1 148 TYR -5.79 4.09 1 149 ALA 0.78 -0.11 1 152 VAL 2.09 -1.22 1 153 ILE 0.90 0.01 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15112_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.01 _LACS_plot.Line_1_terminator_val_y_1 1.05 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.20 _LACS_plot.Line_2_terminator_val_x_2 5.31 _LACS_plot.Line_2_terminator_val_y_2 -0.67 _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 70 ALA -1.37 -1.03 0 139 LYS 4.20 -1.57 0 10 VAL -5.19 0.91 1 11 THR -5.44 0.25 1 12 ALA 2.74 -0.64 1 13 GLN 0.27 -0.17 1 15 VAL 0.95 0.02 1 17 GLN -0.12 -0.23 1 18 SER 0.34 0.34 1 19 ILE 1.10 0.45 1 21 THR -6.84 1.04 1 22 VAL -3.01 0.37 1 23 VAL -0.70 0.46 1 24 ILE -1.45 0.63 1 25 ASP -5.56 0.59 1 26 GLU 0.23 -0.12 1 27 THR -5.36 0.64 1 28 GLU 3.06 -0.23 1 31 LEU 0.07 0.12 1 32 LYS -5.17 0.77 1 33 PHE -1.61 0.26 1 34 THR 1.02 0.02 1 36 HIS 1.11 0.06 1 37 LEU -6.56 1.20 1 38 LYS -4.07 0.62 1 39 ALA 2.52 -0.38 1 40 LEU -3.73 -0.02 1 44 GLU -1.81 0.23 1 45 HIS -3.87 0.26 1 47 PHE -5.47 1.19 1 48 HIS -0.15 0.82 1 49 ILE -0.91 0.30 1 50 HIS 1.62 -0.53 1 51 ALA -4.32 0.44 1 52 ASN -2.18 -0.24 1 54 SER 2.39 -0.67 1 56 GLN -4.51 0.17 1 58 ALA 1.11 0.13 1 59 ILE -3.02 0.14 1 60 LYS 2.92 -0.43 1 61 ASP -4.92 0.34 1 63 GLN 0.62 -0.09 1 64 ALA -1.76 0.03 1 65 VAL 1.94 -0.68 1 66 ALA 1.09 -0.68 1 67 ALA 0.70 -0.12 1 68 GLU 1.98 -0.35 1 69 ALA -0.15 -0.05 1 73 HIS 2.35 -0.60 1 74 LEU -0.53 0.44 1 75 ASP 0.90 0.02 1 77 GLN 3.49 -0.52 1 78 ASN 2.36 -0.31 1 79 THR -4.94 0.15 1 81 LYS -2.38 -0.52 1 82 HIS -5.84 0.40 1 83 GLU -1.26 0.29 1 86 GLU -1.10 0.23 1 88 GLN -0.61 -0.37 1 90 HIS 0.50 -0.24 1 91 LEU 3.65 -0.14 1 93 ASP 2.44 0.19 1 94 LEU -0.40 0.14 1 96 VAL -2.78 -0.08 1 97 LEU 1.55 -0.07 1 98 VAL -0.89 -0.03 1 99 VAL -0.16 -0.14 1 100 ASN 3.64 -0.38 1 101 ASN -0.23 0.08 1 102 ASP -3.36 0.47 1 104 ILE -4.43 0.74 1 105 ALA -1.98 0.48 1 106 THR -0.81 0.07 1 107 GLU -5.65 0.80 1 109 VAL -1.42 1.04 1 110 THR -5.94 0.56 1 111 ALA 0.78 -0.23 1 113 ARG -3.21 0.02 1 114 LEU -2.34 0.22 1 115 LYS -4.57 0.53 1 116 SER 3.20 -0.49 1 117 LEU 3.73 -0.48 1 118 ASP 0.18 -0.29 1 119 GLU -1.24 0.25 1 120 VAL 1.65 -0.67 1 121 LYS 3.18 -0.33 1 122 ASP -4.26 -0.09 1 123 LYS -3.44 0.78 1 124 ALA -2.72 0.31 1 125 LEU -9.01 0.66 1 126 MET -3.41 0.99 1 127 ILE -0.08 0.13 1 128 HIS 4.17 -0.48 1 129 VAL -3.50 0.28 1 132 ASP -0.21 0.10 1 133 ASN 5.31 -1.02 1 134 MET -2.77 0.58 1 135 SER -0.19 0.63 1 136 ASP -2.36 -0.26 1 137 GLN -3.92 0.28 1 141 LEU 2.48 -0.42 1 146 THR 3.86 -0.93 1 147 ARG -1.77 -0.23 1 148 TYR -5.79 0.80 1 149 ALA 0.78 0.09 1 152 VAL 2.09 -0.39 1 153 ILE 0.90 -0.05 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15112_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.01 _LACS_plot.Line_1_terminator_val_y_1 -1.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.78 _LACS_plot.Line_2_terminator_val_x_2 5.31 _LACS_plot.Line_2_terminator_val_y_2 0.19 _LACS_plot.Y_axis_chem_shift_offset 0.51 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 153 ILE 0.90 5.09 0 10 VAL -5.19 -1.14 1 11 THR -5.44 0.03 1 12 ALA 2.74 -2.21 1 13 GLN 0.27 0.47 1 15 VAL 0.95 -0.23 1 17 GLN -0.12 -0.47 1 18 SER 0.34 2.69 1 19 ILE 1.10 -2.32 1 21 THR -6.84 -1.06 1 22 VAL -3.01 -1.83 1 23 VAL -0.70 -1.30 1 24 ILE -1.45 -1.82 1 25 ASP -5.56 -0.54 1 26 GLU 0.23 -0.14 1 27 THR -5.36 0.99 1 28 GLU 3.06 0.33 1 31 LEU 0.07 -3.38 1 32 LYS -5.17 -1.66 1 33 PHE -1.61 -0.62 1 34 THR 1.02 0.04 1 36 HIS 1.11 0.95 1 37 LEU -6.56 -1.69 1 38 LYS -4.07 -3.85 1 39 ALA 2.52 -0.89 1 40 LEU -3.73 -1.19 1 44 GLU -1.81 0.11 1 45 HIS -3.87 -0.20 1 47 PHE -5.47 -3.05 1 48 HIS -0.15 0.89 1 49 ILE -0.91 0.04 1 50 HIS 1.62 -1.09 1 51 ALA -4.32 0.59 1 52 ASN -2.18 -2.38 1 54 SER 2.39 -2.31 1 56 GLN -4.51 -2.60 1 58 ALA 1.11 -0.13 1 59 ILE -3.02 -0.95 1 60 LYS 2.92 0.14 1 61 ASP -4.92 -2.15 1 63 GLN 0.62 -0.47 1 64 ALA -1.76 -0.24 1 65 VAL 1.94 -0.79 1 66 ALA 1.09 0.54 1 67 ALA 0.70 1.63 1 68 GLU 1.98 0.62 1 69 ALA -0.15 -0.23 1 70 ALA -1.37 0.87 1 73 HIS 2.35 -1.15 1 74 LEU -0.53 -0.82 1 75 ASP 0.90 -0.41 1 77 GLN 3.49 0.04 1 78 ASN 2.36 3.36 1 79 THR -4.94 -4.34 1 81 LYS -2.38 -1.33 1 82 HIS -5.84 0.44 1 83 GLU -1.26 -0.25 1 86 GLU -1.10 0.34 1 88 GLN -0.61 2.86 1 90 HIS 0.50 -0.39 1 91 LEU 3.65 -2.38 1 93 ASP 2.44 -0.83 1 94 LEU -0.40 -0.54 1 96 VAL -2.78 -1.01 1 97 LEU 1.55 -1.14 1 98 VAL -0.89 0.75 1 99 VAL -0.16 1.06 1 100 ASN 3.64 0.74 1 101 ASN -0.23 0.20 1 102 ASP -3.36 -0.77 1 104 ILE -4.43 -1.70 1 105 ALA -1.98 0.40 1 106 THR -0.81 -0.99 1 107 GLU -5.65 -1.77 1 109 VAL -1.42 -2.37 1 110 THR -5.94 -1.29 1 111 ALA 0.78 0.90 1 113 ARG -3.21 -2.94 1 114 LEU -2.34 1.15 1 115 LYS -4.57 0.78 1 116 SER 3.20 1.68 1 117 LEU 3.73 1.99 1 118 ASP 0.18 0.88 1 119 GLU -1.24 -3.96 1 120 VAL 1.65 1.00 1 121 LYS 3.18 -2.24 1 122 ASP -4.26 -1.40 1 123 LYS -3.44 -2.52 1 124 ALA -2.72 -4.14 1 125 LEU -9.01 -1.62 1 126 MET -3.41 0.64 1 127 ILE -0.08 0.98 1 128 HIS 4.17 1.27 1 129 VAL -3.50 -1.30 1 132 ASP -0.21 1.32 1 133 ASN 5.31 -2.86 1 134 MET -2.77 -0.99 1 135 SER -0.19 -2.26 1 136 ASP -2.36 0.38 1 137 GLN -3.92 -1.80 1 139 LYS 4.20 -0.46 1 141 LEU 2.48 -1.78 1 146 THR 3.86 -3.90 1 147 ARG -1.77 -0.78 1 148 TYR -5.79 -3.19 1 149 ALA 0.78 -1.44 1 152 VAL 2.09 -1.08 1 stop_ save_