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 bmr19214_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.73 _LACS_plot.Line_1_terminator_val_y_1 -2.52 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.42 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.61 _LACS_plot.Line_2_terminator_val_x_2 8.77 _LACS_plot.Line_2_terminator_val_y_2 6.99 _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 103 LYS 5.30 0.53 0 12 ARG 4.72 4.04 1 13 GLN 5.21 3.20 1 14 ALA 2.69 2.34 1 15 ILE 6.30 4.74 1 16 PHE 2.90 1.25 1 17 GLU 3.28 2.56 1 18 THR 6.82 5.24 1 19 LEU 3.77 3.86 1 20 VAL 5.21 2.36 1 21 ALA 3.12 2.55 1 22 LYS 3.42 2.02 1 24 ARG 5.19 4.50 1 25 GLU 2.11 2.40 1 26 LEU 2.17 2.77 1 27 LEU -1.82 -0.37 1 28 ALA 3.07 0.45 1 30 ASP 1.98 3.58 1 31 ARG -4.60 -0.37 1 32 VAL -3.41 -0.97 1 33 ILE -6.15 -1.99 1 34 VAL -1.64 -0.67 1 35 TYR -5.36 -2.31 1 36 ALA -5.66 -2.08 1 37 PHE -3.41 -0.93 1 38 ASP -2.29 -2.19 1 39 ASP 2.88 1.97 1 40 ASN -0.91 -0.39 1 41 TYR 6.84 2.74 1 42 VAL 3.20 1.35 1 46 VAL -0.01 -0.53 1 47 ALA -4.72 -0.48 1 48 GLU -6.47 -1.23 1 49 SER -1.92 -1.70 1 50 VAL -6.21 -3.35 1 51 ALA -1.26 -0.28 1 52 GLU 1.65 1.58 1 54 TRP -3.82 -3.86 1 57 ALA 3.39 2.83 1 58 ARG 3.35 2.07 1 59 ASP 0.36 0.67 1 60 GLN -2.25 -1.66 1 61 VAL 2.18 0.75 1 63 GLU -2.89 -1.73 1 64 ASP -2.61 0.71 1 74 ALA 4.05 2.61 1 75 TYR 4.59 4.62 1 76 ARG 4.43 3.73 1 77 GLN 0.70 -0.11 1 79 ARG 2.60 1.97 1 80 ILE -4.38 -1.30 1 81 GLN -3.22 -1.54 1 82 ALA -2.16 -1.32 1 83 THR 0.05 0.08 1 84 THR 2.77 2.17 1 85 ASP -4.05 -2.56 1 86 ILE 4.45 3.45 1 87 PHE 3.54 1.65 1 88 LYS -2.10 -1.35 1 89 ALA -2.25 -0.38 1 91 LEU 0.66 -0.57 1 92 THR -1.61 -0.15 1 95 HIS -3.92 0.87 1 96 LEU 4.54 3.54 1 97 ASN 2.89 2.05 1 98 GLN 1.75 1.78 1 99 LEU -0.88 0.36 1 100 ARG 8.77 7.24 1 102 LEU -1.28 -1.54 1 104 VAL 4.22 3.44 1 105 ARG -0.20 -0.94 1 106 ALA -6.78 -1.41 1 107 ASN -6.09 -0.91 1 108 LEU -0.87 -1.29 1 109 VAL -3.11 -0.75 1 110 VAL -3.89 -3.02 1 112 MET -0.96 0.36 1 113 VAL -3.23 -1.67 1 114 ILE -3.08 -0.66 1 115 ASP 3.39 1.81 1 116 ASP 1.46 1.30 1 119 PHE 0.80 2.00 1 121 LEU -4.34 -1.99 1 122 LEU -1.43 -0.88 1 123 ILE -4.79 -1.38 1 124 ALA -7.73 -3.12 1 125 HIS -1.15 0.28 1 126 GLN -0.54 -0.09 1 127 ALA 3.74 2.85 1 128 SER -1.27 -0.30 1 129 GLU -2.73 -0.46 1 131 ARG -0.49 -2.08 1 132 GLN -0.40 -1.16 1 133 TRP -2.15 -1.02 1 134 GLN 5.42 4.67 1 135 GLU 3.25 2.28 1 136 ILE 2.33 2.11 1 137 GLU 5.77 5.38 1 138 ILE 4.33 3.75 1 139 ASP 3.43 3.59 1 140 GLN 2.56 3.41 1 141 PHE 4.38 3.63 1 142 SER 3.47 2.84 1 143 GLU 4.19 3.09 1 144 LEU 3.09 3.08 1 145 ALA 4.89 3.55 1 146 SER 6.49 5.06 1 147 THR 3.55 2.89 1 150 LEU 3.05 4.03 1 156 HIS 3.46 2.63 1 157 PHE 2.68 2.32 1 158 LEU 1.96 1.88 1 159 GLU 1.96 1.49 1 160 GLN 2.46 2.04 1 161 THR 2.14 1.56 1 162 ILE 1.31 1.00 1 163 ALA 0.70 0.64 1 164 SER 0.91 0.62 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19214_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.73 _LACS_plot.Line_1_terminator_val_y_1 5.21 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.57 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.39 _LACS_plot.Line_2_terminator_val_x_2 8.77 _LACS_plot.Line_2_terminator_val_y_2 -1.78 _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 103 LYS 5.30 -4.77 0 12 ARG 4.72 -0.68 1 13 GLN 5.21 -2.01 1 14 ALA 2.69 -0.35 1 15 ILE 6.30 -1.56 1 16 PHE 2.90 -1.65 1 17 GLU 3.28 -0.72 1 18 THR 6.82 -1.58 1 19 LEU 3.77 0.09 1 20 VAL 5.21 -2.85 1 21 ALA 3.12 -0.57 1 22 LYS 3.42 -1.40 1 24 ARG 5.19 -0.69 1 25 GLU 2.11 0.29 1 26 LEU 2.17 0.60 1 27 LEU -1.82 1.45 1 28 ALA 3.07 -2.62 1 30 ASP 1.98 1.60 1 31 ARG -4.60 4.23 1 32 VAL -3.41 2.44 1 33 ILE -6.15 4.16 1 34 VAL -1.64 0.97 1 35 TYR -5.36 3.05 1 36 ALA -5.66 3.58 1 37 PHE -3.41 2.48 1 38 ASP -2.29 0.10 1 39 ASP 2.88 -0.91 1 40 ASN -0.91 0.52 1 41 TYR 6.84 -4.10 1 42 VAL 3.20 -1.85 1 46 VAL -0.01 -0.52 1 47 ALA -4.72 4.24 1 48 GLU -6.47 5.24 1 49 SER -1.92 0.22 1 50 VAL -6.21 2.86 1 51 ALA -1.26 0.98 1 52 GLU 1.65 -0.07 1 54 TRP -3.82 -0.04 1 57 ALA 3.39 -0.56 1 58 ARG 3.35 -1.28 1 59 ASP 0.36 0.31 1 60 GLN -2.25 0.59 1 61 VAL 2.18 -1.43 1 63 GLU -2.89 1.16 1 64 ASP -2.61 3.32 1 74 ALA 4.05 -1.44 1 75 TYR 4.59 0.03 1 76 ARG 4.43 -0.70 1 77 GLN 0.70 -0.81 1 79 ARG 2.60 -0.63 1 80 ILE -4.38 3.08 1 81 GLN -3.22 1.68 1 82 ALA -2.16 0.84 1 83 THR 0.05 0.03 1 84 THR 2.77 -0.60 1 85 ASP -4.05 1.49 1 86 ILE 4.45 -1.00 1 87 PHE 3.54 -1.89 1 88 LYS -2.10 0.75 1 89 ALA -2.25 1.87 1 91 LEU 0.66 -1.23 1 92 THR -1.61 1.46 1 95 HIS -3.92 4.79 1 96 LEU 4.54 -1.00 1 97 ASN 2.89 -0.84 1 98 GLN 1.75 0.03 1 99 LEU -0.88 1.24 1 100 ARG 8.77 -1.53 1 102 LEU -1.28 -0.26 1 104 VAL 4.22 -0.78 1 105 ARG -0.20 -0.74 1 106 ALA -6.78 5.37 1 107 ASN -6.09 5.18 1 108 LEU -0.87 -0.42 1 109 VAL -3.11 2.36 1 110 VAL -3.89 0.87 1 112 MET -0.96 1.32 1 113 VAL -3.23 1.56 1 114 ILE -3.08 2.42 1 115 ASP 3.39 -1.58 1 116 ASP 1.46 -0.16 1 119 PHE 0.80 1.20 1 121 LEU -4.34 2.35 1 122 LEU -1.43 0.55 1 123 ILE -4.79 3.41 1 124 ALA -7.73 4.61 1 125 HIS -1.15 1.43 1 126 GLN -0.54 0.45 1 127 ALA 3.74 -0.89 1 128 SER -1.27 0.97 1 129 GLU -2.73 2.27 1 131 ARG -0.49 -1.59 1 132 GLN -0.40 -0.76 1 133 TRP -2.15 1.13 1 134 GLN 5.42 -0.75 1 135 GLU 3.25 -0.97 1 136 ILE 2.33 -0.22 1 137 GLU 5.77 -0.39 1 138 ILE 4.33 -0.58 1 139 ASP 3.43 0.16 1 140 GLN 2.56 0.85 1 141 PHE 4.38 -0.75 1 142 SER 3.47 -0.63 1 143 GLU 4.19 -1.10 1 144 LEU 3.09 -0.01 1 145 ALA 4.89 -1.34 1 146 SER 6.49 -1.43 1 147 THR 3.55 -0.66 1 150 LEU 3.05 0.98 1 156 HIS 3.46 -0.83 1 157 PHE 2.68 -0.36 1 158 LEU 1.96 -0.08 1 159 GLU 1.96 -0.47 1 160 GLN 2.46 -0.42 1 161 THR 2.14 -0.58 1 162 ILE 1.31 -0.31 1 163 ALA 0.70 -0.06 1 164 SER 0.91 -0.29 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19214_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.73 _LACS_plot.Line_1_terminator_val_y_1 0.83 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 0.19 _LACS_plot.Line_2_terminator_val_x_2 8.77 _LACS_plot.Line_2_terminator_val_y_2 -0.77 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 104 VAL 4.22 -1.49 0 12 ARG 4.72 -1.10 1 13 GLN 5.21 -0.45 1 14 ALA 2.69 -0.18 1 15 ILE 6.30 -0.76 1 16 PHE 2.90 -0.26 1 17 GLU 3.28 -0.37 1 18 THR 6.82 -0.28 1 19 LEU 3.77 -0.49 1 20 VAL 5.21 -0.08 1 21 ALA 3.12 -0.07 1 22 LYS 3.42 -0.15 1 24 ARG 5.19 -0.24 1 25 GLU 2.11 -0.27 1 26 LEU 2.17 -0.18 1 27 LEU -1.82 0.07 1 28 ALA 3.07 -0.08 1 30 ASP 1.98 0.17 1 31 ARG -4.60 1.06 1 32 VAL -3.41 1.29 1 33 ILE -6.15 1.03 1 34 VAL -1.64 0.55 1 35 TYR -5.36 0.39 1 36 ALA -5.66 0.10 1 37 PHE -3.41 -0.19 1 38 ASP -2.29 0.12 1 39 ASP 2.88 -0.49 1 40 ASN -0.91 -0.05 1 41 TYR 6.84 -0.94 1 42 VAL 3.20 -0.02 1 46 VAL -0.01 0.17 1 47 ALA -4.72 0.23 1 48 GLU -6.47 0.78 1 49 SER -1.92 0.39 1 50 VAL -6.21 1.17 1 51 ALA -1.26 0.04 1 52 GLU 1.65 -0.34 1 54 TRP -3.82 0.54 1 57 ALA 3.39 -0.30 1 58 ARG 3.35 -0.24 1 59 ASP 0.36 0.08 1 60 GLN -2.25 0.13 1 61 VAL 2.18 -0.02 1 63 GLU -2.89 0.01 1 64 ASP -2.61 -0.20 1 74 ALA 4.05 -0.34 1 75 TYR 4.59 -0.11 1 76 ARG 4.43 -0.59 1 77 GLN 0.70 -0.12 1 79 ARG 2.60 -0.48 1 80 ILE -4.38 0.65 1 81 GLN -3.22 0.42 1 82 ALA -2.16 0.59 1 83 THR 0.05 0.29 1 84 THR 2.77 0.17 1 85 ASP -4.05 0.25 1 86 ILE 4.45 -0.57 1 87 PHE 3.54 -0.22 1 88 LYS -2.10 0.37 1 89 ALA -2.25 0.21 1 91 LEU 0.66 0.01 1 92 THR -1.61 -0.09 1 95 HIS -3.92 -0.30 1 96 LEU 4.54 -0.89 1 97 ASN 2.89 -0.27 1 98 GLN 1.75 -0.34 1 99 LEU -0.88 -0.28 1 100 ARG 8.77 -0.42 1 102 LEU -1.28 -0.14 1 103 LYS 5.30 -0.40 1 105 ARG -0.20 0.13 1 106 ALA -6.78 0.52 1 107 ASN -6.09 0.97 1 108 LEU -0.87 0.76 1 109 VAL -3.11 0.46 1 110 VAL -3.89 0.80 1 112 MET -0.96 -0.08 1 113 VAL -3.23 0.98 1 114 ILE -3.08 0.09 1 115 ASP 3.39 -0.49 1 116 ASP 1.46 -0.46 1 119 PHE 0.80 0.03 1 121 LEU -4.34 0.53 1 122 LEU -1.43 0.54 1 123 ILE -4.79 1.06 1 124 ALA -7.73 0.87 1 125 HIS -1.15 0.20 1 126 GLN -0.54 0.30 1 127 ALA 3.74 -0.43 1 128 SER -2.73 -0.40 1 131 ARG -0.49 0.03 1 132 GLN -0.40 -0.14 1 133 TRP -2.15 0.11 1 134 GLN 5.42 -0.44 1 135 GLU 3.25 0.04 1 136 ILE 2.33 -0.34 1 137 GLU 5.77 -0.78 1 138 ILE 4.33 -0.27 1 139 ASP 3.43 -0.20 1 140 GLN 2.56 -0.31 1 141 PHE 4.38 -0.33 1 142 SER 3.47 -0.20 1 143 GLU 4.19 -0.31 1 144 LEU 3.09 -0.62 1 145 ALA 4.89 -0.10 1 146 SER 6.49 -0.37 1 147 THR 3.55 -0.64 1 150 LEU 3.05 -0.40 1 156 HIS 3.46 -0.30 1 157 PHE 2.68 -0.28 1 158 LEU 1.96 -0.33 1 159 GLU 1.96 -0.20 1 160 GLN 2.46 -0.21 1 161 THR 2.14 -0.24 1 162 ILE 1.31 -0.14 1 163 ALA 0.70 -0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19214_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.73 _LACS_plot.Line_1_terminator_val_y_1 -3.46 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.67 _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 6.83 _LACS_plot.Line_2_terminator_val_y_2 2.70 _LACS_plot.Y_axis_chem_shift_offset 0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 95 HIS -3.92 4.19 0 12 ARG 4.72 -0.40 1 13 GLN 5.21 1.96 1 14 ALA 2.69 3.73 1 15 ILE 6.30 1.15 1 16 PHE 2.90 2.25 1 17 GLU 3.28 2.96 1 18 THR 6.82 1.16 1 19 LEU 3.77 1.91 1 20 VAL 5.21 1.02 1 21 ALA 3.12 3.48 1 22 LYS 3.42 3.48 1 24 ARG 5.19 2.61 1 25 GLU 2.11 2.04 1 26 LEU 2.17 0.85 1 27 LEU -1.82 -0.55 1 28 ALA 3.07 -0.79 1 30 ASP 1.98 -0.99 1 31 ARG -4.60 -1.83 1 32 VAL -3.41 -1.60 1 33 ILE -6.15 -1.75 1 34 VAL -1.64 -2.33 1 35 TYR -5.36 -2.70 1 36 ALA -5.66 -2.71 1 37 PHE -3.41 0.39 1 38 ASP -2.29 1.91 1 39 ASP 2.88 -0.11 1 40 ASN -0.91 -1.13 1 41 TYR 6.84 -2.13 1 46 VAL -0.01 -0.81 1 47 ALA -4.72 -3.44 1 48 GLU -6.47 -2.68 1 49 SER -1.92 -1.29 1 50 VAL -6.21 -3.21 1 51 ALA -1.26 -1.04 1 52 GLU 1.65 0.60 1 57 ALA 3.39 2.38 1 58 ARG 3.35 -0.14 1 59 ASP 0.36 -0.44 1 60 GLN -2.25 -0.99 1 61 VAL 2.18 -0.83 1 63 GLU -2.89 -2.42 1 74 ALA 4.05 3.42 1 75 TYR 4.59 2.59 1 76 ARG 4.43 0.91 1 77 GLN 0.70 0.34 1 79 ARG 2.60 -3.92 1 80 ILE -4.38 0.84 1 81 GLN -3.22 -3.20 1 82 ALA -2.16 -2.22 1 83 THR 0.05 -0.01 1 84 THR 2.77 -1.91 1 85 ASP -4.05 2.98 1 86 ILE 4.45 -0.42 1 87 PHE 3.54 0.55 1 88 LYS -2.10 -0.78 1 91 LEU 0.66 0.10 1 96 LEU 4.54 2.17 1 97 ASN 2.89 1.29 1 98 GLN 1.75 -0.45 1 99 LEU -0.88 1.21 1 102 LEU -1.28 -0.85 1 103 LYS 5.30 -3.17 1 104 VAL 4.22 -1.64 1 105 ARG -0.20 -2.57 1 106 ALA -6.78 -0.98 1 107 ASN -6.09 -3.75 1 108 LEU -0.87 -4.35 1 109 VAL -3.11 -1.54 1 112 MET -0.96 -2.46 1 113 VAL -3.23 -1.73 1 114 ILE -3.08 -0.59 1 116 ASP 1.46 -1.83 1 119 PHE 0.80 0.23 1 121 LEU -4.34 -3.85 1 122 LEU -1.43 -2.93 1 123 ILE -4.79 -2.69 1 124 ALA -7.73 -2.25 1 125 HIS -1.15 -1.68 1 126 GLN -0.54 -0.38 1 127 ALA 3.74 0.31 1 128 SER -2.73 -5.17 1 131 ARG -0.49 -0.15 1 132 GLN -0.40 0.04 1 133 TRP -2.15 1.09 1 134 GLN 5.42 2.14 1 135 GLU 3.25 1.06 1 136 ILE 2.33 1.62 1 137 GLU 5.77 2.51 1 138 ILE 4.33 3.16 1 139 ASP 3.43 3.20 1 140 GLN 2.56 1.59 1 141 PHE 4.38 2.58 1 142 SER 3.47 2.41 1 143 GLU 4.19 0.60 1 144 LEU 3.09 2.48 1 145 ALA 4.89 2.66 1 146 SER 6.49 2.32 1 147 THR 3.55 1.72 1 150 LEU 3.05 3.22 1 156 HIS 3.46 2.39 1 157 PHE 2.68 1.26 1 158 LEU 1.96 1.73 1 159 GLU 1.96 1.45 1 160 GLN 2.46 0.92 1 161 THR 2.14 0.51 1 162 ILE 1.31 0.67 1 163 ALA 0.70 0.29 1 stop_ save_