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 bmr27785_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.97 _LACS_plot.Line_1_terminator_val_y_1 -2.42 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.15 _LACS_plot.Line_2_terminator_val_x_2 6.85 _LACS_plot.Line_2_terminator_val_y_2 5.30 _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 151 TRP 6.79 2.06 0 11 SER 0.34 0.43 1 12 GLN -0.01 0.16 1 13 ASP 0.48 0.49 1 15 ASP 0.23 0.46 1 16 ILE 0.46 0.38 1 17 SER 0.76 0.81 1 18 GLU -0.16 0.17 1 19 LEU 0.35 0.39 1 20 GLU -0.29 0.36 1 21 ASP -0.11 0.08 1 22 LEU 0.93 0.60 1 23 SER 2.10 1.70 1 24 GLU 0.72 0.80 1 25 LEU 1.57 1.40 1 26 GLU 1.04 1.41 1 27 ASP 1.64 1.44 1 28 LEU 1.77 1.53 1 29 LYS 4.48 3.80 1 30 ASP 2.74 2.82 1 31 ALA 3.36 2.62 1 32 LYS 3.58 3.81 1 33 LEU 4.58 3.36 1 34 GLN 4.84 3.25 1 35 THR 6.14 5.12 1 36 LEU 3.03 3.22 1 37 LYS 3.78 2.81 1 38 GLU 2.17 1.97 1 39 LEU -0.30 1.46 1 40 PHE 0.00 -0.02 1 42 GLN 1.70 0.55 1 43 ARG -2.23 -3.00 1 44 SER -1.89 -0.73 1 45 ASP 5.49 3.91 1 46 ASN 4.17 3.67 1 47 ASP 3.44 3.24 1 48 LEU 3.49 2.54 1 49 LEU 3.78 3.20 1 50 LYS 4.11 3.19 1 51 LEU 3.20 2.51 1 52 ILE 4.05 3.58 1 53 GLU 1.67 1.80 1 54 SER -0.13 0.61 1 55 THR -4.02 -1.26 1 56 SER 0.18 1.21 1 57 THR -5.97 -2.71 1 58 MET 2.32 2.48 1 59 ASP 4.22 3.36 1 61 ALA 5.09 3.69 1 62 ILE 5.28 5.13 1 63 ALA 3.76 2.79 1 64 ALA 2.63 2.21 1 65 ALA 2.94 2.36 1 66 LEU 3.18 2.83 1 67 LEU 2.25 2.20 1 68 MET 2.58 2.40 1 69 PHE -1.63 -1.83 1 71 ASP -0.79 0.03 1 72 ALA 0.20 0.41 1 85 SER 0.17 0.29 1 86 GLU -0.38 0.28 1 88 TYR 0.35 0.18 1 89 GLU -1.67 -0.54 1 90 GLU -2.33 0.96 1 92 GLU -0.28 0.33 1 93 PHE 0.22 0.21 1 94 ASN -0.69 0.06 1 95 ASP 0.15 0.38 1 96 ASP 2.55 4.33 1 97 GLN 1.40 0.87 1 98 SER 1.33 1.33 1 99 ILE 0.91 0.53 1 100 LYS 0.56 0.48 1 101 LYS 0.24 0.45 1 102 THR 0.27 0.45 1 103 ARG 0.10 0.27 1 104 LEU 0.22 0.16 1 105 ASP -0.20 0.05 1 106 HIS 0.08 1.12 1 108 GLU -0.47 0.18 1 109 GLU 0.50 0.96 1 110 SER -0.11 0.06 1 111 ASN 0.17 0.43 1 112 GLU 0.01 0.37 1 113 SER 0.09 0.23 1 114 ALA 0.64 0.71 1 115 GLU 0.55 0.62 1 116 SER 0.70 0.76 1 117 SER 0.93 0.92 1 118 ASN 0.88 0.67 1 119 ASN 1.31 1.24 1 121 GLU 3.69 3.22 1 122 LYS 3.57 2.65 1 123 GLN 4.48 3.08 1 124 GLU 2.83 2.02 1 125 SER 4.43 3.65 1 126 ILE 4.87 3.90 1 127 VAL 6.37 5.10 1 128 LEU 3.68 2.96 1 129 LYS 4.17 3.98 1 130 LEU 2.53 2.52 1 131 GLN 2.75 2.56 1 132 LYS 3.52 2.70 1 133 GLU 0.21 0.67 1 134 PHE -0.15 0.70 1 136 ASN 1.83 0.60 1 137 PHE -2.14 -0.61 1 138 ASP -2.47 -0.66 1 139 LYS 5.19 4.84 1 140 GLN 5.04 3.59 1 141 GLU 2.60 2.68 1 142 LEU 2.81 2.47 1 143 ARG 5.21 4.44 1 144 GLU 3.74 2.82 1 145 VAL 5.03 3.94 1 146 LEU 5.74 3.98 1 147 LYS 4.54 3.77 1 148 GLU 2.51 1.84 1 149 HIS 1.92 1.08 1 150 GLU 4.08 1.38 1 152 MET 0.56 -0.68 1 153 TYR 4.64 5.29 1 154 THR 6.85 4.76 1 155 GLU 2.76 2.65 1 156 ALA 2.72 2.20 1 157 LEU 4.35 3.85 1 158 GLU 3.03 2.53 1 159 SER 4.47 3.49 1 160 LEU 1.60 0.92 1 161 LYS 2.51 2.39 1 162 VAL 1.90 1.15 1 163 PHE 0.69 0.57 1 164 ALA -0.69 0.08 1 165 GLU -1.01 -0.10 1 166 ASP 0.52 1.82 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27785_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.97 _LACS_plot.Line_1_terminator_val_y_1 3.55 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.76 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.85 _LACS_plot.Line_2_terminator_val_x_2 6.85 _LACS_plot.Line_2_terminator_val_y_2 -1.55 _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 151 TRP 6.79 -4.73 0 11 SER 0.34 0.09 1 12 GLN -0.01 0.17 1 13 ASP 0.48 0.01 1 15 ASP 0.23 0.23 1 16 ILE 0.46 -0.08 1 17 SER 0.76 0.05 1 18 GLU -0.16 0.33 1 19 LEU 0.35 0.04 1 20 GLU -0.29 0.65 1 21 ASP -0.11 0.19 1 22 LEU 0.93 -0.33 1 23 SER 2.10 -0.40 1 24 GLU 0.72 0.08 1 25 LEU 1.57 -0.17 1 26 GLU 1.04 0.37 1 27 ASP 1.64 -0.20 1 28 LEU 1.77 -0.24 1 29 LYS 4.48 -0.68 1 30 ASP 2.74 0.08 1 31 ALA 3.36 -0.74 1 32 LYS 3.58 0.23 1 33 LEU 4.58 -1.22 1 34 GLN 4.84 -1.59 1 35 THR 6.14 -1.02 1 36 LEU 3.03 0.19 1 37 LYS 3.78 -0.97 1 38 GLU 2.17 -0.20 1 39 LEU -0.30 1.76 1 40 PHE 0.00 -0.02 1 42 GLN 1.70 -1.15 1 43 ARG -2.23 -0.77 1 44 SER -1.89 1.16 1 45 ASP 5.49 -1.58 1 46 ASN 4.17 -0.50 1 47 ASP 3.44 -0.20 1 48 LEU 3.49 -0.95 1 49 LEU 3.78 -0.58 1 50 LYS 4.11 -0.92 1 51 LEU 3.20 -0.69 1 52 ILE 4.05 -0.47 1 53 GLU 1.67 0.13 1 54 SER -0.13 0.74 1 55 THR -4.02 2.76 1 56 SER 0.18 1.03 1 57 THR -5.97 3.26 1 58 MET 2.32 0.16 1 59 ASP 4.22 -0.86 1 61 ALA 5.09 -1.40 1 62 ILE 5.28 -0.15 1 63 ALA 3.76 -0.97 1 64 ALA 2.63 -0.42 1 65 ALA 2.94 -0.58 1 66 LEU 3.18 -0.35 1 67 LEU 2.25 -0.05 1 68 MET 2.58 -0.18 1 69 PHE -1.63 -0.20 1 71 ASP -0.79 0.82 1 72 ALA 0.20 0.21 1 85 SER 0.17 0.12 1 86 GLU -0.38 0.66 1 88 TYR 0.35 -0.17 1 89 GLU -1.67 1.13 1 90 GLU -2.33 3.29 1 92 GLU -0.28 0.61 1 93 PHE 0.22 -0.01 1 94 ASN -0.69 0.75 1 95 ASP 0.15 0.23 1 96 ASP 2.55 1.78 1 97 GLN 1.40 -0.53 1 98 SER 1.33 0.00 1 99 ILE 0.91 -0.38 1 100 LYS 0.56 -0.08 1 101 LYS 0.24 0.21 1 102 THR 0.27 0.18 1 103 ARG 0.10 0.17 1 104 LEU 0.22 -0.06 1 105 ASP -0.20 0.25 1 106 HIS 0.08 1.04 1 108 GLU -0.47 0.65 1 109 GLU 0.50 0.46 1 110 SER -0.11 0.17 1 111 ASN 0.17 0.26 1 112 GLU 0.01 0.36 1 113 SER 0.09 0.14 1 114 ALA 0.64 0.07 1 115 GLU 0.55 0.07 1 116 SER 0.70 0.06 1 117 SER 0.93 -0.01 1 118 ASN 0.88 -0.21 1 119 ASN 1.31 -0.07 1 121 GLU 3.69 -0.47 1 122 LYS 3.57 -0.92 1 123 GLN 4.48 -1.40 1 124 GLU 2.83 -0.81 1 125 SER 4.43 -0.78 1 126 ILE 4.87 -0.97 1 127 VAL 6.37 -1.27 1 128 LEU 3.68 -0.72 1 129 LYS 4.17 -0.19 1 130 LEU 2.53 -0.01 1 131 GLN 2.75 -0.19 1 132 LYS 3.52 -0.82 1 133 GLU 0.21 0.46 1 134 PHE -0.15 0.85 1 136 ASN 1.83 -1.23 1 137 PHE -2.14 1.53 1 138 ASP -2.47 1.81 1 139 LYS 5.19 -0.35 1 140 GLN 5.04 -1.45 1 141 GLU 2.60 0.08 1 142 LEU 2.81 -0.34 1 143 ARG 5.21 -0.77 1 144 GLU 3.74 -0.92 1 145 VAL 5.03 -1.09 1 146 LEU 5.74 -1.76 1 147 LYS 4.54 -0.77 1 148 GLU 2.51 -0.67 1 149 HIS 1.92 -0.84 1 150 GLU 4.08 -2.70 1 152 MET 0.56 -1.24 1 153 TYR 4.64 0.65 1 154 THR 6.85 -2.09 1 155 GLU 2.76 -0.11 1 156 ALA 2.72 -0.52 1 157 LEU 4.35 -0.50 1 158 GLU 3.03 -0.50 1 159 SER 4.47 -0.98 1 160 LEU 1.60 -0.68 1 161 LYS 2.51 -0.12 1 162 VAL 1.90 -0.75 1 163 PHE 0.69 -0.12 1 164 ALA -0.69 0.77 1 165 GLU -1.01 0.91 1 166 ASP 0.52 1.30 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27785_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.97 _LACS_plot.Line_1_terminator_val_y_1 0.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.13 _LACS_plot.Line_2_terminator_val_x_2 6.85 _LACS_plot.Line_2_terminator_val_y_2 -0.60 _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 156 ALA 2.72 -1.43 0 11 SER 0.34 -0.12 1 12 GLN -0.01 -0.01 1 13 ASP 0.48 -0.12 1 15 ASP 0.23 -0.06 1 16 ILE 0.46 0.01 1 17 SER 0.76 -0.07 1 18 GLU -0.16 -0.02 1 19 LEU 0.35 -0.02 1 21 ASP -0.11 -0.01 1 22 LEU 0.93 0.00 1 23 SER 2.10 -0.17 1 24 GLU 0.72 -0.07 1 25 LEU 1.57 -0.12 1 26 GLU 1.04 -0.19 1 27 ASP 1.64 -0.13 1 28 LEU 1.77 -0.05 1 29 LYS 4.48 -0.42 1 30 ASP 2.74 -0.21 1 31 ALA 3.36 -0.17 1 32 LYS 3.58 -0.28 1 33 LEU 4.58 -0.44 1 34 GLN 4.84 -0.44 1 35 THR 6.14 -0.39 1 36 LEU 3.03 -0.17 1 37 LYS 3.78 -0.52 1 38 GLU 2.17 -0.42 1 39 LEU -0.30 -0.42 1 40 PHE 0.00 0.05 1 42 GLN 1.70 -0.03 1 43 ARG -2.23 0.09 1 44 SER -1.89 -0.12 1 45 ASP 5.49 -0.46 1 46 ASN 4.17 -0.39 1 47 ASP 3.44 -0.24 1 48 LEU 3.49 -0.25 1 49 LEU 3.78 -0.33 1 50 LYS 4.11 -0.23 1 51 LEU 3.20 -0.33 1 52 ILE 4.05 -0.62 1 53 GLU 1.67 -0.20 1 54 SER -0.13 0.11 1 55 THR -4.02 0.38 1 56 SER 0.18 0.17 1 57 THR -5.97 0.48 1 58 MET 2.32 -0.12 1 59 ASP 4.22 -0.28 1 61 ALA 5.09 -0.33 1 62 ILE 5.28 -0.63 1 63 ALA 3.76 -0.25 1 64 ALA 2.63 -0.30 1 65 ALA 2.94 -0.97 1 66 LEU 3.18 -0.24 1 67 LEU 2.25 -0.25 1 68 MET 2.58 -0.49 1 69 PHE -1.63 0.33 1 71 ASP -0.79 -0.01 1 72 ALA 0.20 -0.03 1 86 GLU -0.38 -0.05 1 88 TYR 0.35 0.03 1 89 GLU -1.67 -0.09 1 92 GLU -0.28 -0.21 1 93 PHE 0.22 0.00 1 94 ASN -0.69 -0.06 1 95 ASP 0.15 -0.12 1 96 ASP 2.55 -0.10 1 97 GLN 1.40 -0.12 1 98 SER 1.33 -0.14 1 99 ILE 0.91 -0.06 1 100 LYS 0.56 -0.05 1 101 LYS 0.24 0.03 1 102 THR 0.27 -0.08 1 104 LEU 0.22 -0.04 1 105 ASP -0.20 -0.08 1 106 HIS 0.08 -0.07 1 108 GLU -0.47 -0.06 1 109 GLU 0.50 -0.03 1 110 SER -0.11 -0.05 1 111 ASN 0.17 0.02 1 112 GLU 0.01 -0.05 1 113 SER 0.09 -0.04 1 114 ALA 0.64 -0.05 1 115 GLU 0.55 -0.13 1 116 SER 0.70 -0.08 1 118 ASN 0.88 -0.14 1 121 GLU 3.69 -0.56 1 122 LYS 3.57 -0.30 1 123 GLN 4.48 -0.74 1 124 GLU 2.83 -0.37 1 125 SER 4.43 -0.28 1 126 ILE 4.87 -0.35 1 127 VAL 6.37 -0.75 1 128 LEU 3.68 -0.33 1 129 LYS 4.17 -0.27 1 130 LEU 2.53 0.15 1 131 GLN 2.75 -0.46 1 132 LYS 3.52 -0.30 1 133 GLU 0.21 -0.33 1 134 PHE -0.15 -0.03 1 136 ASN 1.83 -0.05 1 137 PHE -2.14 0.09 1 138 ASP -2.47 -0.01 1 139 LYS 5.19 -0.57 1 140 GLN 5.04 -0.24 1 141 GLU 2.60 -0.26 1 142 LEU 2.81 -0.53 1 143 ARG 5.21 -0.67 1 144 GLU 3.74 -0.39 1 145 VAL 5.03 -0.40 1 146 LEU 5.74 -1.09 1 147 LYS 4.54 0.01 1 148 GLU 2.51 -0.41 1 149 HIS 1.92 -0.18 1 150 GLU 4.08 -0.47 1 151 TRP 6.79 -1.46 1 152 MET 0.56 0.20 1 153 TYR 4.64 -0.86 1 154 THR 6.85 -0.76 1 155 GLU 2.76 -0.45 1 157 LEU 4.35 -0.78 1 158 GLU 3.03 -0.55 1 159 SER 4.47 -0.32 1 160 LEU 1.60 -0.40 1 161 LYS 2.51 -0.14 1 162 VAL 1.90 -0.13 1 163 PHE 0.69 -0.03 1 164 ALA -0.69 0.04 1 165 GLU -1.01 -0.01 1 166 ASP 0.52 -0.28 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27785_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.97 _LACS_plot.Line_1_terminator_val_y_1 -2.38 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.90 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.60 _LACS_plot.Line_2_terminator_val_x_2 6.85 _LACS_plot.Line_2_terminator_val_y_2 2.65 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 166 ASP 0.52 4.64 0 151 TRP 6.79 -1.89 0 12 GLN -0.01 -0.67 1 13 ASP 0.48 -0.56 1 15 ASP 0.23 0.21 1 16 ILE 0.46 -0.04 1 17 SER 0.76 0.17 1 18 GLU -0.16 -0.17 1 19 LEU 0.35 -0.13 1 20 GLU -0.29 -0.55 1 21 ASP -0.11 0.16 1 22 LEU 0.93 0.53 1 23 SER 2.10 0.65 1 24 GLU 0.72 0.67 1 25 LEU 1.57 0.95 1 26 GLU 1.04 0.58 1 27 ASP 1.64 1.36 1 28 LEU 1.77 0.77 1 29 LYS 4.48 1.24 1 30 ASP 2.74 1.76 1 31 ALA 3.36 3.05 1 32 LYS 3.58 1.65 1 33 LEU 4.58 0.46 1 34 GLN 4.84 2.81 1 35 THR 6.14 1.89 1 36 LEU 3.03 0.85 1 37 LYS 3.78 1.90 1 38 GLU 2.17 1.90 1 39 LEU -0.30 -0.90 1 40 PHE 0.00 -1.31 1 42 GLN 1.70 0.28 1 43 ARG -2.23 -0.76 1 44 SER -1.89 0.22 1 45 ASP 5.49 1.83 1 46 ASN 4.17 2.43 1 47 ASP 3.44 2.24 1 48 LEU 3.49 1.53 1 49 LEU 3.78 1.67 1 50 LYS 4.11 3.21 1 51 LEU 3.20 1.81 1 52 ILE 4.05 1.69 1 53 GLU 1.67 0.91 1 54 SER -0.13 -1.02 1 55 THR -4.02 -0.75 1 56 SER 0.18 0.50 1 57 THR -5.97 0.45 1 58 MET 2.32 1.37 1 59 ASP 4.22 3.13 1 61 ALA 5.09 1.06 1 62 ILE 5.28 1.03 1 63 ALA 3.76 2.90 1 64 ALA 2.63 2.00 1 65 ALA 2.94 0.98 1 66 LEU 3.18 2.65 1 67 LEU 2.25 0.99 1 68 MET 2.58 1.42 1 69 PHE -1.63 1.28 1 71 ASP -0.79 0.24 1 72 ALA 0.20 0.70 1 85 SER 0.17 0.89 1 86 GLU -0.38 0.96 1 88 TYR 0.35 -0.13 1 93 PHE 0.22 -0.34 1 94 ASN -0.69 -0.55 1 95 ASP 0.15 -0.21 1 96 ASP 2.55 0.62 1 97 GLN 1.40 0.56 1 98 SER 1.33 0.38 1 99 ILE 0.91 0.01 1 100 LYS 0.56 0.04 1 101 LYS 0.24 0.15 1 102 THR 0.27 -0.29 1 103 ARG 0.10 0.70 1 104 LEU 0.22 -0.57 1 105 ASP -0.20 -0.32 1 106 HIS 0.08 1.44 1 108 GLU -0.47 0.12 1 109 GLU 0.50 -0.04 1 110 SER -0.11 -0.26 1 111 ASN 0.17 0.18 1 113 SER 0.09 0.18 1 114 ALA 0.64 0.42 1 115 GLU 0.55 0.43 1 116 SER 0.70 0.53 1 121 GLU 3.69 2.67 1 122 LYS 3.57 2.97 1 123 GLN 4.48 2.07 1 124 GLU 2.83 2.12 1 126 ILE 4.87 1.36 1 127 VAL 6.37 1.55 1 128 LEU 3.68 2.06 1 129 LYS 4.17 2.89 1 130 LEU 2.53 1.19 1 131 GLN 2.75 1.16 1 132 LYS 3.52 2.11 1 133 GLU 0.21 -0.70 1 134 PHE -0.15 -1.41 1 136 ASN 1.83 -0.32 1 137 PHE -2.14 -0.67 1 138 ASP -2.47 0.63 1 139 LYS 5.19 1.73 1 140 GLN 5.04 2.67 1 141 GLU 2.60 3.00 1 142 LEU 2.81 0.83 1 143 ARG 5.21 1.26 1 144 GLU 3.74 2.38 1 145 VAL 5.03 2.97 1 146 LEU 5.74 1.50 1 147 LYS 4.54 3.68 1 148 GLU 2.51 0.26 1 149 HIS 1.92 -0.37 1 150 GLU 4.08 -1.96 1 152 MET 0.56 -0.92 1 153 TYR 4.64 0.03 1 154 THR 6.85 1.53 1 155 GLU 2.76 2.24 1 156 ALA 2.72 0.62 1 157 LEU 4.35 -0.03 1 159 SER 4.47 1.05 1 160 LEU 1.60 0.45 1 161 LYS 2.51 1.00 1 162 VAL 1.90 0.18 1 163 PHE 0.69 -0.15 1 164 ALA -0.69 -0.70 1 165 GLU -1.01 -1.20 1 stop_ save_