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 bmr7339_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.62 _LACS_plot.Line_1_terminator_val_y_1 -2.03 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.34 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.76 _LACS_plot.Line_2_terminator_val_x_2 6.77 _LACS_plot.Line_2_terminator_val_y_2 5.24 _LACS_plot.Y_axis_chem_shift_offset -0.58 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 155 SER 5.99 6.44 0 10 THR -0.04 0.39 1 11 GLU -0.58 0.36 1 12 ALA 0.18 0.59 1 13 SER -0.42 0.39 1 14 SER 0.45 0.90 1 15 LEU 1.37 0.84 1 16 VAL -1.52 -0.88 1 18 LYS -5.34 -1.51 1 19 LEU -4.54 0.27 1 20 GLU -5.37 -1.82 1 21 THR 0.30 0.05 1 22 ASP -4.10 -0.51 1 23 VAL -4.08 -0.53 1 24 GLU -0.80 0.34 1 25 ILE -3.20 -0.78 1 26 LYS 2.45 2.82 1 27 ALA -1.48 0.33 1 28 SER -1.94 -0.58 1 29 ALA 4.04 2.93 1 30 ASP 3.05 2.46 1 31 LYS 3.03 2.39 1 32 PHE 4.54 4.06 1 33 HIS 4.36 4.29 1 34 HIS 2.48 3.05 1 35 MET 4.84 1.94 1 36 PHE 1.03 0.71 1 37 ALA -0.37 0.37 1 39 LYS -0.13 0.18 1 41 HIS -0.20 1.30 1 42 HIS -0.55 1.51 1 43 VAL 0.15 0.38 1 44 SER -0.40 0.35 1 45 LYS 0.06 0.37 1 46 ALA -0.35 0.51 1 47 SER -0.21 0.27 1 50 ASN 0.11 0.49 1 51 ILE 0.35 0.55 1 52 GLN -0.09 0.61 1 56 LEU 0.57 0.36 1 58 GLU -0.53 0.68 1 60 ASP 2.27 0.59 1 63 THR -0.71 -0.01 1 64 VAL 4.31 3.40 1 66 SER 0.88 1.59 1 67 ILE -1.98 -2.43 1 68 VAL -5.10 -1.96 1 69 PHE -2.78 -0.75 1 71 ASN -2.20 0.08 1 72 TYR -2.45 -1.79 1 73 VAL -1.65 -0.77 1 74 HIS -4.65 -0.04 1 75 ASP 2.62 0.93 1 77 GLU -4.63 -1.73 1 78 ALA 0.61 0.53 1 79 LYS -4.90 -2.28 1 80 VAL -5.19 -1.73 1 81 ALA -3.16 -0.28 1 82 LYS -2.81 -0.64 1 83 GLU -5.85 -2.77 1 84 ARG -6.16 -2.19 1 85 ILE 3.72 2.58 1 86 GLU -1.90 0.40 1 87 ALA -2.59 0.12 1 88 VAL -3.42 -0.62 1 89 GLU -2.93 -0.68 1 91 ASP 3.48 2.31 1 92 LYS -2.49 -1.09 1 93 ASN 1.80 1.31 1 94 LEU -5.68 -0.36 1 95 ILE -3.78 -0.06 1 96 THR -1.48 0.07 1 97 PHE -5.79 -1.62 1 98 ARG -4.62 -1.03 1 99 VAL 3.33 2.42 1 100 ILE -0.91 0.38 1 101 GLU -6.01 -0.27 1 103 ASP 4.48 5.32 1 104 LEU 2.41 3.28 1 105 MET 2.23 -0.28 1 106 LYS 1.99 1.83 1 107 GLU -3.84 0.81 1 108 TYR -2.12 0.02 1 109 LYS -0.98 0.75 1 110 SER -2.38 -1.03 1 111 PHE -1.44 2.29 1 112 LEU -5.43 -0.90 1 113 LEU -5.04 -0.94 1 114 THR -2.18 0.21 1 115 ILE -5.24 -1.91 1 116 GLN -4.39 -1.27 1 117 VAL -1.90 -0.31 1 118 THR -2.51 -1.27 1 120 LYS 0.20 0.80 1 126 SER -2.85 0.57 1 127 ILE -2.08 -1.08 1 128 VAL 0.17 -0.61 1 129 HIS -0.47 0.22 1 130 TRP -2.15 -0.24 1 131 HIS -1.75 0.76 1 132 LEU -2.76 -1.18 1 133 GLU -3.70 -0.94 1 134 TYR -6.62 -2.77 1 135 GLU -4.94 -1.48 1 136 LYS -0.44 1.62 1 137 ILE 4.16 4.78 1 138 SER -3.31 -1.34 1 139 GLU 2.10 2.30 1 140 GLU 1.82 2.14 1 141 VAL -0.31 0.26 1 142 ALA -2.58 -0.98 1 143 HIS 0.28 0.53 1 145 GLU 5.01 2.98 1 146 THR 2.61 1.96 1 147 LEU 2.70 2.36 1 148 LEU 5.37 4.26 1 149 GLN 4.43 3.15 1 150 PHE 4.83 3.64 1 152 VAL 5.91 5.60 1 153 GLU 3.68 3.07 1 154 VAL 6.78 4.66 1 156 LYS 3.97 3.67 1 157 GLU 3.10 2.35 1 158 ILE 5.35 5.43 1 159 ASP 1.87 3.43 1 160 GLU 3.15 3.08 1 161 HIS 3.30 4.18 1 162 LEU 2.27 2.32 1 163 LEU 1.20 1.03 1 164 ALA 0.11 0.70 1 165 GLU -1.46 -0.17 1 166 GLU 0.58 1.99 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7339_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.62 _LACS_plot.Line_1_terminator_val_y_1 4.59 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.65 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.24 _LACS_plot.Line_2_terminator_val_x_2 6.77 _LACS_plot.Line_2_terminator_val_y_2 -1.53 _LACS_plot.Y_axis_chem_shift_offset -0.58 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 155 SER 5.99 0.45 0 10 THR -0.04 0.43 1 11 GLU -0.58 0.94 1 12 ALA 0.18 0.41 1 13 SER -0.42 0.81 1 14 SER 0.45 0.45 1 15 LEU 1.37 -0.53 1 16 VAL -1.52 0.64 1 18 LYS -5.34 3.83 1 19 LEU -4.54 4.81 1 20 GLU -5.37 3.55 1 21 THR 0.30 -0.25 1 22 ASP -4.10 3.59 1 23 VAL -4.08 3.55 1 24 GLU -0.80 1.14 1 25 ILE -3.20 2.42 1 26 LYS 2.45 0.37 1 27 ALA -1.48 1.81 1 28 SER -1.94 1.36 1 29 ALA 4.04 -1.11 1 30 ASP 3.05 -0.59 1 31 LYS 3.03 -0.64 1 32 PHE 4.54 -0.48 1 33 HIS 4.36 -0.07 1 34 HIS 2.48 0.57 1 35 MET 4.84 -2.90 1 36 PHE 1.03 -0.32 1 37 ALA -0.37 0.74 1 39 LYS -0.13 0.31 1 41 HIS -0.20 1.50 1 42 HIS -0.55 2.06 1 43 VAL 0.15 0.23 1 44 SER -0.40 0.75 1 45 LYS 0.06 0.31 1 46 ALA -0.35 0.86 1 47 SER -0.21 0.48 1 50 ASN 0.11 0.38 1 51 ILE 0.35 0.20 1 52 GLN -0.09 0.70 1 56 LEU 0.57 -0.21 1 58 GLU -0.53 1.21 1 60 ASP 2.27 -1.68 1 63 THR -0.71 0.70 1 64 VAL 4.31 -0.91 1 66 SER 0.88 0.71 1 67 ILE -1.98 -0.45 1 68 VAL -5.10 3.14 1 69 PHE -2.78 2.03 1 71 ASN -2.20 2.28 1 72 TYR -2.45 0.66 1 73 VAL -1.65 0.88 1 74 HIS -4.65 4.61 1 75 ASP 2.62 -1.69 1 77 GLU -4.63 2.90 1 78 ALA 0.61 -0.08 1 79 LYS -4.90 2.62 1 80 VAL -5.19 3.46 1 81 ALA -3.16 2.88 1 82 LYS -2.81 2.17 1 83 GLU -5.85 3.08 1 84 ARG -6.16 3.97 1 85 ILE 3.72 -1.14 1 86 GLU -1.90 2.30 1 87 ALA -2.59 2.71 1 88 VAL -3.42 2.80 1 89 GLU -2.93 2.25 1 91 ASP 3.48 -1.17 1 92 LYS -2.49 1.40 1 93 ASN 1.80 -0.49 1 94 LEU -5.68 5.32 1 95 ILE -3.78 3.72 1 96 THR -1.48 1.55 1 97 PHE -5.79 4.17 1 98 ARG -4.62 3.59 1 99 VAL 3.33 -0.91 1 100 ILE -0.91 1.29 1 101 GLU -6.01 5.74 1 103 ASP 4.48 0.84 1 104 LEU 2.41 0.87 1 105 MET 2.23 -2.51 1 106 LYS 1.99 -0.16 1 107 GLU -3.84 4.65 1 108 TYR -2.12 2.14 1 109 LYS -0.98 1.73 1 110 SER -2.38 1.35 1 111 PHE -1.44 3.73 1 112 LEU -5.43 4.53 1 113 LEU -5.04 4.10 1 114 THR -2.18 2.39 1 115 ILE -5.24 3.33 1 116 GLN -4.39 3.12 1 117 VAL -1.90 1.59 1 118 THR -2.51 1.24 1 120 LYS 0.20 0.60 1 126 SER -2.85 3.42 1 127 ILE -2.08 1.00 1 128 VAL 0.17 -0.78 1 129 HIS -0.47 0.69 1 130 TRP -2.15 1.91 1 131 HIS -1.75 2.51 1 132 LEU -2.76 1.58 1 133 GLU -3.70 2.76 1 134 TYR -6.62 3.85 1 135 GLU -4.94 3.46 1 136 LYS -0.44 2.06 1 137 ILE 4.16 0.62 1 138 SER -3.31 1.97 1 139 GLU 2.10 0.20 1 140 GLU 1.82 0.32 1 141 VAL -0.31 0.57 1 142 ALA -2.58 1.60 1 143 HIS 0.28 0.25 1 145 GLU 5.01 -2.03 1 146 THR 2.61 -0.65 1 147 LEU 2.70 -0.34 1 148 LEU 5.37 -1.11 1 149 GLN 4.43 -1.28 1 150 PHE 4.83 -1.19 1 152 VAL 5.91 -0.31 1 153 GLU 3.68 -0.61 1 154 VAL 6.78 -2.12 1 156 LYS 3.97 -0.30 1 157 GLU 3.10 -0.75 1 158 ILE 5.35 0.08 1 159 ASP 1.87 1.56 1 160 GLU 3.15 -0.07 1 161 HIS 3.30 0.88 1 162 LEU 2.27 0.05 1 163 LEU 1.20 -0.17 1 164 ALA 0.11 0.59 1 165 GLU -1.46 1.29 1 166 GLU 0.58 1.41 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7339_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.62 _LACS_plot.Line_1_terminator_val_y_1 0.90 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.38 _LACS_plot.Line_2_terminator_val_x_2 6.77 _LACS_plot.Line_2_terminator_val_y_2 -0.66 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 107 GLU -3.84 -0.13 0 114 THR -2.18 1.26 0 22 ASP -4.10 1.45 0 105 MET 2.23 0.79 0 10 THR -0.04 0.06 1 11 GLU -0.58 0.05 1 12 ALA 0.18 0.09 1 13 SER -0.42 0.08 1 14 SER 0.45 0.12 1 15 LEU 1.37 0.13 1 16 VAL -1.52 0.79 1 18 LYS -5.34 0.85 1 19 LEU -4.54 0.44 1 20 GLU -5.37 1.29 1 21 THR 0.30 0.37 1 23 VAL -4.08 0.34 1 24 GLU -0.80 0.64 1 25 ILE -3.20 0.61 1 26 LYS 2.45 -0.06 1 27 ALA -1.48 -0.15 1 28 SER -1.94 -0.04 1 29 ALA 4.04 -0.43 1 30 ASP 3.05 -0.15 1 31 LYS 3.03 -0.27 1 32 PHE 4.54 -0.60 1 33 HIS 4.36 -0.83 1 34 HIS 2.48 -0.32 1 35 MET 4.84 -0.48 1 36 PHE 1.03 -0.17 1 37 ALA -0.37 0.09 1 39 LYS -0.13 -0.01 1 41 HIS -0.20 -0.04 1 42 HIS -0.55 -0.07 1 43 VAL 0.15 0.08 1 44 SER -0.40 0.09 1 45 LYS 0.06 0.08 1 46 ALA -0.35 0.08 1 47 SER -0.21 0.05 1 50 ASN 0.11 0.07 1 51 ILE 0.35 0.09 1 52 GLN -0.09 0.11 1 56 LEU 0.57 0.03 1 58 GLU -0.53 0.10 1 60 ASP 2.27 -0.02 1 63 THR -0.71 0.22 1 64 VAL 4.31 -0.73 1 66 SER 0.88 0.04 1 67 ILE -1.98 0.99 1 68 VAL -5.10 0.49 1 69 PHE -2.78 0.64 1 71 ASN -2.20 0.92 1 72 TYR -2.45 0.51 1 73 VAL -1.65 0.58 1 74 HIS -4.65 0.36 1 75 ASP 2.62 -0.48 1 77 GLU -4.63 0.27 1 78 ALA 0.61 0.13 1 79 LYS -4.90 0.31 1 80 VAL -5.19 1.33 1 81 ALA -3.16 0.82 1 82 LYS -2.81 0.39 1 83 GLU -5.85 0.25 1 84 ARG -6.16 1.10 1 85 ILE 3.72 -0.30 1 86 GLU -1.90 0.29 1 87 ALA -2.59 0.17 1 88 VAL -3.42 0.62 1 89 GLU -2.93 0.32 1 91 ASP 3.48 -0.14 1 92 LYS -2.49 0.27 1 93 ASN 1.80 -0.15 1 94 LEU -5.68 1.38 1 95 ILE -3.78 0.60 1 96 THR -1.48 1.16 1 97 PHE -5.79 0.82 1 98 ARG -4.62 0.91 1 99 VAL 3.33 0.03 1 100 ILE -0.91 0.56 1 101 GLU -6.01 0.31 1 103 ASP 4.48 -0.32 1 104 LEU 2.41 -0.29 1 106 LYS 1.99 -0.06 1 108 TYR -2.12 0.54 1 109 LYS -0.98 0.07 1 110 SER -2.38 0.23 1 111 PHE -1.44 0.14 1 112 LEU -5.43 0.98 1 113 LEU -5.04 1.41 1 115 ILE -5.24 0.92 1 116 GLN -4.39 1.38 1 117 VAL -1.90 1.05 1 118 THR -2.51 0.47 1 120 LYS 0.20 -0.21 1 126 SER -2.85 0.79 1 127 ILE -2.08 0.29 1 128 VAL 0.17 0.11 1 129 HIS -0.47 0.78 1 130 TRP -2.15 0.32 1 131 HIS -1.75 0.72 1 132 LEU -2.76 0.95 1 133 GLU -3.70 0.42 1 134 TYR -6.62 0.70 1 135 GLU -4.94 0.90 1 136 LYS -0.44 0.18 1 137 ILE 4.16 -0.44 1 138 SER -3.31 0.04 1 139 GLU 2.10 -0.13 1 140 GLU 1.82 0.05 1 141 VAL -0.31 0.11 1 142 ALA -2.58 0.09 1 143 HIS 0.28 0.18 1 145 GLU 5.01 0.03 1 146 THR 2.61 0.18 1 147 LEU 2.70 -0.20 1 148 LEU 5.37 -0.44 1 149 GLN 4.43 -0.34 1 150 PHE 4.83 -0.51 1 152 VAL 5.91 -0.63 1 153 GLU 3.68 -0.24 1 154 VAL 6.78 -0.64 1 155 SER 5.99 -0.16 1 156 LYS 3.97 -0.03 1 157 GLU 3.10 0.01 1 158 ILE 5.35 -0.44 1 159 ASP 1.87 -0.01 1 160 GLU 3.15 -0.33 1 161 HIS 3.30 -0.19 1 162 LEU 2.27 -0.18 1 163 LEU 1.20 -0.07 1 164 ALA 0.11 0.03 1 165 GLU -1.46 0.01 1 166 GLU 0.58 -0.18 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7339_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.62 _LACS_plot.Line_1_terminator_val_y_1 -2.40 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.81 _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 6.77 _LACS_plot.Line_2_terminator_val_y_2 2.65 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 21 THR 0.30 -4.06 0 166 GLU 0.58 4.90 0 10 THR -0.04 0.13 1 11 GLU -0.58 -0.06 1 12 ALA 0.18 0.38 1 13 SER -0.42 0.65 1 14 SER 0.45 0.67 1 15 LEU 1.37 -0.79 1 16 VAL -1.52 0.08 1 18 LYS -5.34 -1.03 1 19 LEU -4.54 -3.17 1 20 GLU -5.37 -0.94 1 22 ASP -4.10 -0.38 1 23 VAL -4.08 -1.32 1 24 GLU -0.80 -0.10 1 25 ILE -3.20 -0.39 1 26 LYS 2.45 2.65 1 27 ALA -1.48 -0.88 1 29 ALA 4.04 2.07 1 30 ASP 3.05 2.26 1 31 LYS 3.03 2.48 1 32 PHE 4.54 0.78 1 33 HIS 4.36 3.31 1 34 HIS 2.48 3.26 1 35 MET 4.84 0.75 1 36 PHE 1.03 -0.20 1 37 ALA -0.37 0.02 1 39 LYS -0.13 0.03 1 41 HIS -0.20 0.81 1 42 HIS -0.55 0.99 1 43 VAL 0.15 -0.89 1 44 SER -0.40 0.28 1 45 LYS 0.06 -0.30 1 46 ALA -0.35 -0.27 1 47 SER -0.21 -0.07 1 50 ASN 0.11 0.21 1 51 ILE 0.35 -0.09 1 52 GLN -0.09 0.42 1 58 GLU -0.53 0.37 1 60 ASP 2.27 0.55 1 63 THR -0.71 0.11 1 64 VAL 4.31 0.64 1 66 SER 0.88 -2.34 1 67 ILE -1.98 -0.16 1 68 VAL -5.10 -2.55 1 69 PHE -2.78 -0.21 1 71 ASN -2.20 -1.42 1 72 TYR -2.45 -3.40 1 73 VAL -1.65 -0.96 1 74 HIS -4.65 0.84 1 75 ASP 2.62 -0.15 1 77 GLU -4.63 -2.04 1 78 ALA 0.61 -0.89 1 79 LYS -4.90 -0.88 1 80 VAL -5.19 -0.43 1 81 ALA -3.16 -2.67 1 82 LYS -2.81 -1.49 1 83 GLU -5.85 -3.33 1 84 ARG -6.16 0.42 1 85 ILE 3.72 -0.05 1 86 GLU -1.90 0.14 1 87 ALA -2.59 -3.08 1 88 VAL -3.42 -2.25 1 89 GLU -2.93 0.23 1 91 ASP 3.48 0.79 1 92 LYS -2.49 -1.11 1 93 ASN 1.80 -2.83 1 94 LEU -5.68 -2.52 1 95 ILE -3.78 -3.64 1 96 THR -1.48 -0.74 1 97 PHE -5.79 -1.59 1 98 ARG -4.62 -1.90 1 99 VAL 3.33 -1.18 1 100 ILE -0.91 0.13 1 101 GLU -6.01 -2.55 1 103 ASP 4.48 3.70 1 104 LEU 2.41 1.81 1 105 MET 2.23 1.42 1 106 LYS 1.99 0.33 1 107 GLU -3.84 -1.64 1 108 TYR -2.12 -1.46 1 109 LYS -0.98 0.39 1 110 SER -2.38 -1.10 1 111 PHE -1.44 -3.51 1 112 LEU -5.43 -2.96 1 113 LEU -5.04 -2.85 1 114 THR -2.18 -0.54 1 115 ILE -5.24 -2.24 1 117 VAL -1.90 -0.71 1 118 THR -2.51 2.46 1 120 LYS 0.20 0.33 1 126 SER -2.85 -2.87 1 127 ILE -2.08 -1.17 1 128 VAL 0.17 -1.02 1 129 HIS -0.47 0.77 1 130 TRP -2.15 0.09 1 131 HIS -1.75 -0.40 1 132 LEU -2.76 -1.64 1 133 GLU -3.70 -1.91 1 134 TYR -6.62 -2.06 1 135 GLU -4.94 0.60 1 136 LYS -0.44 -0.26 1 137 ILE 4.16 -0.49 1 138 SER -3.31 -0.69 1 139 GLU 2.10 1.39 1 140 GLU 1.82 1.24 1 141 VAL -0.31 -1.54 1 142 ALA -2.58 -0.87 1 143 HIS 0.28 1.01 1 145 GLU 5.01 2.17 1 146 THR 2.61 2.24 1 147 LEU 2.70 1.46 1 148 LEU 5.37 1.50 1 149 GLN 4.43 1.82 1 150 PHE 4.83 -0.15 1 152 VAL 5.91 1.86 1 153 GLU 3.68 4.25 1 154 VAL 6.78 2.56 1 155 SER 5.99 0.39 1 156 LYS 3.97 2.20 1 157 GLU 3.10 3.72 1 158 ILE 5.35 1.29 1 159 ASP 1.87 2.33 1 160 GLU 3.15 3.27 1 161 HIS 3.30 3.34 1 162 LEU 2.27 1.73 1 163 LEU 1.20 0.28 1 164 ALA 0.11 0.07 1 165 GLU -1.46 -0.75 1 stop_ save_