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 bmr25120_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.14 _LACS_plot.Line_1_terminator_val_y_1 -3.51 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.80 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.38 _LACS_plot.Line_2_terminator_val_x_2 6.64 _LACS_plot.Line_2_terminator_val_y_2 5.28 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 71 THR -7.14 -3.60 0 111 TYR -5.94 -1.80 0 10 GLU 2.21 1.70 1 11 GLN -0.04 -0.13 1 12 LEU -0.84 -0.11 1 13 THR -2.37 -1.18 1 14 GLU 3.93 3.28 1 15 GLU 4.12 3.51 1 16 GLN 3.20 3.03 1 17 LYS 6.54 5.54 1 18 ASN 3.84 2.74 1 19 GLU 3.52 2.78 1 20 PHE 3.50 1.62 1 21 LYS 4.09 2.70 1 22 ALA 3.73 2.33 1 23 ALA 2.67 2.39 1 24 PHE 4.21 4.55 1 25 ASP 3.75 2.56 1 26 ILE 3.88 2.70 1 28 VAL 0.76 -0.53 1 29 LEU 2.96 1.82 1 31 ALA -0.95 -0.41 1 32 GLU 2.44 2.45 1 33 ASP -0.98 -1.01 1 35 SER -3.18 -1.09 1 36 ILE 0.11 1.31 1 38 THR 6.26 4.37 1 39 LYS 3.57 2.74 1 40 GLU 3.87 3.26 1 41 LEU 2.47 2.69 1 43 LYS 4.38 3.68 1 44 VAL 5.10 3.84 1 45 MET 4.94 2.96 1 46 ARG 4.41 3.42 1 47 MET 3.96 3.46 1 48 LEU -0.01 -0.57 1 50 GLN -3.19 -1.52 1 51 ASN -0.66 -0.13 1 53 THR 2.45 0.82 1 55 GLU 4.91 3.85 1 56 GLU 3.47 2.53 1 57 LEU 3.60 2.69 1 58 GLN 3.50 2.55 1 59 GLU 3.50 2.94 1 60 MET 3.18 3.99 1 61 ILE 4.97 3.80 1 62 ASP 3.95 3.38 1 63 GLU 1.45 2.06 1 64 VAL -0.34 -0.83 1 66 GLU 1.20 1.99 1 67 ASP -1.02 -1.81 1 69 SER 0.98 1.91 1 72 VAL -1.68 -0.88 1 73 ASP -2.23 -1.89 1 74 PHE 4.84 3.79 1 75 ASP 4.40 3.85 1 76 GLU -0.40 1.79 1 77 PHE 2.97 3.11 1 78 LEU 3.83 2.90 1 79 VAL 6.65 4.60 1 80 MET 3.33 3.85 1 81 MET 1.97 0.98 1 82 VAL 5.42 3.79 1 83 ARG 3.93 3.06 1 84 SER 2.40 2.08 1 85 MET 1.12 1.98 1 86 LYS 0.49 0.32 1 87 ASP 0.50 0.55 1 88 ASP 0.38 0.54 1 89 SER 1.15 0.88 1 90 LYS 0.62 0.50 1 92 LYS -0.10 0.11 1 93 SER -0.27 0.11 1 94 GLU 2.94 2.38 1 95 GLU 2.68 2.30 1 96 GLU 2.26 2.03 1 97 LEU 3.73 3.19 1 98 SER 4.95 3.88 1 99 ASP 3.22 3.21 1 100 LEU 3.69 2.97 1 101 PHE 4.95 4.60 1 102 ARG 2.56 3.05 1 105 ASP 0.22 -1.91 1 106 LYS 2.37 2.03 1 107 ASN 0.68 -1.32 1 108 ALA 2.75 0.67 1 109 ASP -0.72 -0.81 1 112 ILE -0.65 -0.52 1 113 ASP -3.29 -2.25 1 114 LEU 3.57 3.83 1 115 ASP 4.27 3.65 1 116 GLU 2.64 2.71 1 117 LEU 3.82 3.33 1 118 LYS 5.60 5.07 1 119 ILE 4.45 3.88 1 120 MET 3.06 1.77 1 121 LEU 2.89 2.35 1 122 GLN 4.21 2.92 1 123 ALA 1.84 1.19 1 124 THR 0.99 2.25 1 126 GLU -2.70 -1.60 1 127 THR 2.93 1.56 1 128 ILE -3.11 -3.32 1 129 THR -4.47 -2.05 1 130 GLU 4.06 3.12 1 131 ASP 3.35 3.05 1 132 ASP 3.03 3.98 1 133 ILE 4.09 4.01 1 134 GLU 3.12 2.90 1 135 GLU 2.53 2.30 1 136 LEU 3.94 3.43 1 138 LYS 3.37 2.78 1 139 ASP 0.24 2.51 1 141 ASP 0.71 -0.89 1 142 LYS 1.60 1.46 1 143 ASN 0.28 -1.54 1 144 ASN 2.93 1.81 1 145 ASP -0.98 -1.15 1 147 ARG -5.51 -2.10 1 148 ILE -1.59 -0.43 1 149 ASP -2.35 -1.61 1 150 TYR 5.05 4.31 1 151 ASP 4.28 3.78 1 152 GLU 2.63 2.13 1 153 PHE 3.87 4.07 1 154 LEU 3.90 2.97 1 155 GLU 2.09 2.05 1 156 PHE 0.23 1.28 1 157 MET -2.50 -2.45 1 158 LYS 3.33 2.36 1 160 VAL 1.83 0.84 1 161 GLU 1.86 1.15 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25120_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.14 _LACS_plot.Line_1_terminator_val_y_1 3.63 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.62 _LACS_plot.Line_2_terminator_val_x_2 6.64 _LACS_plot.Line_2_terminator_val_y_2 -1.36 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 71 THR -7.14 3.54 0 111 TYR -5.94 4.14 0 10 GLU 2.21 -0.51 1 11 GLN -0.04 -0.09 1 12 LEU -0.84 0.73 1 13 THR -2.37 1.19 1 14 GLU 3.93 -0.65 1 15 GLU 4.12 -0.61 1 16 GLN 3.20 -0.17 1 17 LYS 6.54 -1.00 1 18 ASN 3.84 -1.10 1 19 GLU 3.52 -0.74 1 20 PHE 3.50 -1.88 1 21 LYS 4.09 -1.39 1 22 ALA 3.73 -1.40 1 23 ALA 2.67 -0.28 1 24 PHE 4.21 0.34 1 25 ASP 3.75 -1.19 1 26 ILE 3.88 -1.18 1 28 VAL 0.76 -1.29 1 29 LEU 2.96 -1.14 1 31 ALA -0.95 0.54 1 32 GLU 2.44 0.01 1 33 ASP -0.98 -0.03 1 35 SER -3.18 2.09 1 36 ILE 0.11 1.20 1 38 THR 6.26 -1.89 1 39 LYS 3.57 -0.83 1 40 GLU 3.87 -0.61 1 41 LEU 2.47 0.22 1 43 LYS 4.38 -0.70 1 44 VAL 5.10 -1.26 1 45 MET 4.94 -1.98 1 46 ARG 4.41 -0.99 1 47 MET 3.96 -0.50 1 48 LEU -0.01 -0.56 1 50 GLN -3.19 1.67 1 51 ASN -0.66 0.53 1 53 THR 2.45 -1.63 1 55 GLU 4.91 -1.06 1 56 GLU 3.47 -0.94 1 57 LEU 3.60 -0.91 1 58 GLN 3.50 -0.95 1 59 GLU 3.50 -0.56 1 60 MET 3.18 0.81 1 61 ILE 4.97 -1.17 1 62 ASP 3.95 -0.57 1 63 GLU 1.45 0.61 1 64 VAL -0.34 -0.49 1 66 GLU 1.20 0.79 1 67 ASP -1.02 -0.79 1 69 SER 0.98 0.93 1 72 VAL -1.68 0.80 1 73 ASP -2.23 0.34 1 74 PHE 4.84 -1.05 1 75 ASP 4.40 -0.55 1 76 GLU -0.40 2.19 1 77 PHE 2.97 0.14 1 78 LEU 3.83 -0.93 1 79 VAL 6.65 -2.05 1 80 MET 3.33 0.52 1 81 MET 1.97 -0.99 1 82 VAL 5.42 -1.63 1 83 ARG 3.93 -0.87 1 84 SER 2.40 -0.32 1 85 MET 1.12 0.86 1 86 LYS 0.49 -0.17 1 87 ASP 0.50 0.05 1 88 ASP 0.38 0.16 1 89 SER 1.15 -0.27 1 90 LYS 0.62 -0.12 1 92 LYS -0.10 0.21 1 93 SER -0.27 0.38 1 94 GLU 2.94 -0.56 1 95 GLU 2.68 -0.38 1 96 GLU 2.26 -0.23 1 97 LEU 3.73 -0.54 1 98 SER 4.95 -1.07 1 99 ASP 3.22 -0.01 1 100 LEU 3.69 -0.72 1 101 PHE 4.95 -0.35 1 102 ARG 2.56 0.49 1 105 ASP 0.22 -2.13 1 106 LYS 2.37 -0.34 1 107 ASN 0.68 -2.00 1 108 ALA 2.75 -2.08 1 109 ASP -0.72 -0.09 1 112 ILE -0.65 0.13 1 113 ASP -3.29 1.04 1 114 LEU 3.57 0.26 1 115 ASP 4.27 -0.62 1 116 GLU 2.64 0.07 1 117 LEU 3.82 -0.49 1 118 LYS 5.60 -0.53 1 119 ILE 4.45 -0.57 1 120 MET 3.06 -1.29 1 121 LEU 2.89 -0.54 1 122 GLN 4.21 -1.29 1 123 ALA 1.84 -0.65 1 124 THR 0.99 1.26 1 126 GLU -2.70 1.10 1 127 THR 2.93 -1.37 1 128 ILE -3.11 -0.21 1 129 THR -4.47 2.42 1 130 GLU 4.06 -0.94 1 131 ASP 3.35 -0.30 1 132 ASP 3.03 0.95 1 133 ILE 4.09 -0.08 1 134 GLU 3.12 -0.22 1 135 GLU 2.53 -0.23 1 136 LEU 3.94 -0.51 1 138 LYS 3.37 -0.59 1 139 ASP 0.24 2.27 1 141 ASP 0.71 -1.60 1 142 LYS 1.60 -0.14 1 143 ASN 0.28 -1.82 1 144 ASN 2.93 -1.12 1 145 ASP -0.98 -0.17 1 147 ARG -5.51 3.41 1 148 ILE -1.59 1.16 1 149 ASP -2.35 0.74 1 150 TYR 5.05 -0.74 1 151 ASP 4.28 -0.50 1 152 GLU 2.63 -0.50 1 153 PHE 3.87 0.20 1 154 LEU 3.90 -0.93 1 155 GLU 2.09 -0.04 1 156 PHE 0.23 1.05 1 157 MET -2.50 0.05 1 158 LYS 3.33 -0.97 1 160 VAL 1.83 -0.99 1 161 GLU 1.86 -0.71 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25120_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.14 _LACS_plot.Line_1_terminator_val_y_1 0.65 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 6.64 _LACS_plot.Line_2_terminator_val_y_2 -0.60 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 71 THR -7.14 0.60 0 101 PHE 4.95 -1.42 0 10 GLU 2.21 -0.24 1 11 GLN -0.04 -0.03 1 12 LEU -0.84 0.18 1 13 THR -2.37 0.09 1 14 GLU 3.93 -0.39 1 15 GLU 4.12 -0.31 1 16 GLN 3.20 -0.50 1 17 LYS 6.54 -0.34 1 18 ASN 3.84 -0.19 1 19 GLU 3.52 -0.17 1 20 PHE 3.50 0.33 1 21 LYS 4.09 -0.32 1 22 ALA 3.73 -0.12 1 23 ALA 2.67 -0.17 1 24 PHE 4.21 -1.13 1 25 ASP 3.75 -0.35 1 26 ILE 3.88 -0.41 1 28 VAL 0.76 -0.14 1 29 LEU 2.96 -0.25 1 31 ALA -0.95 0.11 1 32 GLU 2.44 -0.26 1 33 ASP -0.98 0.09 1 35 SER -3.18 0.50 1 36 ILE 0.11 -0.31 1 38 THR 6.26 -0.60 1 39 LYS 3.57 -0.23 1 40 GLU 3.87 -0.19 1 41 LEU 2.47 -0.19 1 43 LYS 4.38 -0.32 1 44 VAL 5.10 -0.52 1 45 MET 4.94 -0.28 1 46 ARG 4.41 0.32 1 47 MET 3.96 -0.24 1 48 LEU -0.01 0.09 1 50 GLN -3.19 0.18 1 51 ASN -0.66 0.09 1 53 THR 2.45 -0.17 1 55 GLU 4.91 -0.32 1 56 GLU 3.47 -0.36 1 57 LEU 3.60 -0.30 1 58 GLN 3.50 -0.58 1 59 GLU 3.50 -0.30 1 60 MET 3.18 -0.30 1 61 ILE 4.97 -0.79 1 62 ASP 3.95 -0.34 1 63 GLU 1.45 -0.28 1 64 VAL -0.34 0.33 1 66 GLU 1.20 -0.18 1 67 ASP -1.02 0.06 1 69 SER 0.98 -0.24 1 72 VAL -1.68 0.94 1 73 ASP -2.23 0.50 1 74 PHE 4.84 -1.21 1 75 ASP 4.40 -0.66 1 76 GLU -0.40 -0.32 1 77 PHE 2.97 -0.67 1 78 LEU 3.83 -1.00 1 79 VAL 6.65 -0.86 1 80 MET 3.33 -0.87 1 81 MET 1.97 -0.42 1 82 VAL 5.42 -0.19 1 83 ARG 3.93 -0.49 1 84 SER 2.40 -0.09 1 85 MET 1.12 -0.11 1 86 LYS 0.49 0.03 1 87 ASP 0.50 0.03 1 88 ASP 0.38 0.02 1 89 SER 1.15 -0.08 1 90 LYS 0.62 0.03 1 92 LYS -0.10 0.10 1 93 SER -0.27 0.01 1 94 GLU 2.94 -0.21 1 95 GLU 2.68 -0.19 1 96 GLU 2.26 -0.04 1 97 LEU 3.73 -0.02 1 98 SER 4.95 -0.18 1 99 ASP 3.22 0.02 1 100 LEU 3.69 -0.19 1 102 ARG 2.56 -0.36 1 105 ASP 0.22 -0.19 1 106 LYS 2.37 -0.29 1 107 ASN 0.68 -0.01 1 108 ALA 2.75 -0.23 1 109 ASP -0.72 0.06 1 111 TYR -5.94 0.65 1 112 ILE -0.65 0.61 1 113 ASP -3.29 0.35 1 114 LEU 3.57 -0.34 1 115 ASP 4.27 -0.26 1 116 GLU 2.64 -0.37 1 117 LEU 3.82 -0.23 1 118 LYS 5.60 -0.47 1 119 ILE 4.45 -0.35 1 120 MET 3.06 -0.26 1 121 LEU 2.89 -0.25 1 122 GLN 4.21 -0.21 1 123 ALA 1.84 0.00 1 124 THR 0.99 -0.28 1 126 GLU -2.70 0.00 1 127 THR 2.93 -0.15 1 128 ILE -3.11 0.50 1 129 THR -4.47 0.42 1 130 GLU 4.06 -0.38 1 131 ASP 3.35 -0.24 1 132 ASP 3.03 -0.40 1 133 ILE 4.09 -0.79 1 134 GLU 3.12 -0.44 1 135 GLU 2.53 -0.11 1 136 LEU 3.94 -0.06 1 138 LYS 3.37 -0.27 1 139 ASP 0.24 -0.25 1 141 ASP 0.71 -0.03 1 142 LYS 1.60 -0.18 1 143 ASN 0.28 0.08 1 144 ASN 2.93 -0.23 1 145 ASP -0.98 0.08 1 147 ARG -5.51 0.58 1 148 ILE -1.59 0.91 1 149 ASP -2.35 0.55 1 150 TYR 5.05 -1.15 1 151 ASP 4.28 -0.55 1 152 GLU 2.63 -0.30 1 153 PHE 3.87 -0.58 1 154 LEU 3.90 -0.65 1 155 GLU 2.09 -0.29 1 156 PHE 0.23 -0.04 1 157 MET -2.50 -0.12 1 158 LYS 3.33 -0.32 1 160 VAL 1.83 -0.30 1 161 GLU 1.86 -0.21 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25120_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.14 _LACS_plot.Line_1_terminator_val_y_1 -1.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.02 _LACS_plot.Line_2_terminator_val_x_2 6.64 _LACS_plot.Line_2_terminator_val_y_2 2.66 _LACS_plot.Y_axis_chem_shift_offset -0.60 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 13 THR -2.37 3.25 0 71 THR -7.14 -1.41 0 11 GLN -0.04 0.69 1 12 LEU -0.84 0.38 1 14 GLU 3.93 2.02 1 15 GLU 4.12 2.79 1 16 GLN 3.20 2.58 1 17 LYS 6.54 1.97 1 18 ASN 3.84 3.42 1 19 GLU 3.52 2.55 1 20 PHE 3.50 2.77 1 21 LYS 4.09 0.46 1 22 ALA 3.73 2.79 1 24 PHE 4.21 0.46 1 25 ASP 3.75 2.67 1 26 ILE 3.88 1.92 1 31 ALA -0.95 1.29 1 32 GLU 2.44 0.57 1 33 ASP -0.98 1.34 1 35 SER -3.18 -2.54 1 38 THR 6.26 2.34 1 39 LYS 3.57 2.16 1 40 GLU 3.87 2.02 1 41 LEU 2.47 0.92 1 43 LYS 4.38 2.72 1 44 VAL 5.10 1.34 1 45 MET 4.94 2.78 1 46 ARG 4.41 5.07 1 47 MET 3.96 1.25 1 48 LEU -0.01 -0.39 1 50 GLN -3.19 -1.90 1 53 THR 2.45 0.42 1 55 GLU 4.91 2.76 1 56 GLU 3.47 3.05 1 57 LEU 3.60 1.16 1 58 GLN 3.50 1.70 1 59 GLU 3.50 2.03 1 60 MET 3.18 2.23 1 61 ILE 4.97 1.10 1 62 ASP 3.95 2.09 1 63 GLU 1.45 1.13 1 66 GLU 1.20 0.46 1 67 ASP -1.02 1.24 1 69 SER 0.98 1.40 1 72 VAL -1.68 -1.09 1 73 ASP -2.23 -0.51 1 74 PHE 4.84 0.30 1 75 ASP 4.40 3.19 1 76 GLU -0.40 2.28 1 77 PHE 2.97 1.21 1 78 LEU 3.83 1.03 1 79 VAL 6.65 1.10 1 80 MET 3.33 2.38 1 81 MET 1.97 2.92 1 82 VAL 5.42 2.65 1 83 ARG 3.93 1.77 1 84 SER 2.40 0.90 1 85 MET 1.12 0.53 1 86 LYS 0.49 -0.08 1 87 ASP 0.50 0.12 1 88 ASP 0.38 0.42 1 89 SER 1.15 0.33 1 90 LYS 0.62 0.54 1 92 LYS -0.10 0.32 1 93 SER -0.27 0.49 1 94 GLU 2.94 1.23 1 95 GLU 2.68 1.50 1 96 GLU 2.26 2.39 1 97 LEU 3.73 1.42 1 98 SER 4.95 2.45 1 99 ASP 3.22 1.79 1 100 LEU 3.69 1.80 1 101 PHE 4.95 1.53 1 102 ARG 2.56 1.29 1 105 ASP 0.22 0.38 1 106 LYS 2.37 1.52 1 107 ASN 0.68 -0.76 1 108 ALA 2.75 -1.21 1 109 ASP -0.72 1.13 1 111 TYR -5.94 -1.08 1 112 ILE -0.65 -0.65 1 113 ASP -3.29 -0.71 1 114 LEU 3.57 1.19 1 115 ASP 4.27 2.87 1 116 GLU 2.64 3.18 1 117 LEU 3.82 0.94 1 118 LYS 5.60 1.90 1 119 ILE 4.45 2.63 1 120 MET 3.06 1.65 1 121 LEU 2.89 2.99 1 122 GLN 4.21 2.31 1 123 ALA 1.84 0.60 1 124 THR 0.99 1.42 1 126 GLU -2.70 -0.45 1 127 THR 2.93 -1.13 1 128 ILE -3.11 0.16 1 129 THR -4.47 0.81 1 130 GLU 4.06 2.00 1 131 ASP 3.35 1.30 1 132 ASP 3.03 1.34 1 133 ILE 4.09 0.89 1 134 GLU 3.12 3.18 1 135 GLU 2.53 3.37 1 136 LEU 3.94 0.86 1 138 LYS 3.37 1.73 1 139 ASP 0.24 1.26 1 141 ASP 0.71 0.20 1 142 LYS 1.60 1.18 1 143 ASN 0.28 -0.16 1 144 ASN 2.93 -0.62 1 145 ASP -0.98 1.61 1 147 ARG -5.51 -1.23 1 149 ASP -2.35 -0.89 1 150 TYR 5.05 0.30 1 151 ASP 4.28 4.37 1 152 GLU 2.63 3.64 1 153 PHE 3.87 0.24 1 154 LEU 3.90 2.02 1 155 GLU 2.09 1.84 1 156 PHE 0.23 0.63 1 157 MET -2.50 -0.33 1 158 LYS 3.33 1.16 1 160 VAL 1.83 -1.66 1 161 GLU 1.86 3.75 1 stop_ save_