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 bmr28012_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -1.75 _LACS_plot.Line_1_terminator_val_y_1 -1.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.79 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.45 _LACS_plot.Line_2_terminator_val_x_2 7.93 _LACS_plot.Line_2_terminator_val_y_2 5.64 _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 99 ALA 3.10 4.02 0 32 ARG -0.71 -1.98 0 92 THR 2.20 3.44 0 10 SER 0.46 0.01 1 11 TYR 0.35 -0.02 1 12 ASN -0.27 -0.15 1 13 GLU 0.06 -0.02 1 15 VAL 0.70 -0.02 1 16 LYS 0.08 -0.29 1 17 LEU -0.20 -0.38 1 18 GLN 0.11 -0.28 1 20 GLN 0.30 0.04 1 21 GLU -0.86 -0.52 1 22 ILE -0.42 -0.72 1 23 SER -0.22 -0.44 1 27 THR 1.29 0.56 1 28 ALA -0.01 -0.17 1 29 ASN 0.07 -0.28 1 30 LEU -1.05 -1.05 1 31 ASP 0.07 -0.15 1 33 SER 4.29 2.75 1 34 ASN 0.06 -0.32 1 35 ASP -1.75 -1.38 1 36 LYS 2.47 1.60 1 37 VAL 7.24 4.57 1 38 TYR 4.20 3.92 1 39 GLU 3.31 3.06 1 40 ASN 1.94 2.26 1 42 THR 7.93 5.12 1 44 LEU 3.42 2.67 1 45 VAL 7.54 5.64 1 46 LYS 4.94 3.68 1 47 ALA 4.17 2.31 1 48 VAL 6.31 4.75 1 49 ILE 5.82 4.22 1 50 GLU 3.93 2.88 1 51 MET 4.27 3.72 1 52 SER 5.73 4.03 1 53 SER 2.47 2.02 1 54 LYS -0.39 0.55 1 55 ILE 4.02 3.17 1 58 ALA -0.86 0.49 1 61 GLU 3.91 2.46 1 62 GLU -0.88 -0.06 1 63 TYR 1.51 0.91 1 66 MET 3.57 3.66 1 67 VAL 5.53 4.01 1 68 LYS 5.16 3.48 1 69 GLU 3.69 2.77 1 70 VAL 6.16 4.35 1 72 LEU 3.66 2.66 1 73 ALA 4.10 2.10 1 74 LEU 4.27 2.67 1 75 ARG 5.53 3.94 1 76 THR 5.76 4.53 1 77 LEU 4.37 2.79 1 78 LEU 5.79 3.34 1 79 ALA 3.65 2.28 1 80 THR 6.08 4.17 1 81 VAL 7.35 5.34 1 82 ASP 4.80 3.59 1 83 GLU 1.05 0.95 1 84 THR 3.72 2.91 1 85 ILE 0.34 -0.41 1 87 LEU 4.14 2.70 1 88 LEU 3.31 1.76 1 91 SER -0.11 0.51 1 93 HIS 4.91 3.15 1 94 ARG 4.00 3.04 1 95 GLU 5.59 4.46 1 96 ILE 3.28 2.52 1 97 GLU 3.93 3.13 1 98 MET 2.64 2.10 1 100 GLN 4.56 3.44 1 101 LYS 3.64 2.85 1 102 LEU 4.15 2.97 1 103 LEU 5.50 3.56 1 105 SER 4.48 1.67 1 106 ASP 4.78 2.67 1 107 LEU 2.80 1.88 1 109 GLU 4.85 3.92 1 110 LEU 5.52 4.00 1 111 ILE 4.04 3.06 1 112 ASN 3.40 1.10 1 113 LYS 3.77 4.24 1 114 MET 4.59 3.29 1 115 LYS 4.61 2.67 1 116 LEU 4.61 3.20 1 117 ALA 2.67 2.73 1 118 GLN 2.78 2.07 1 119 GLN 1.96 0.27 1 120 TYR 2.19 1.22 1 121 VAL 3.08 0.55 1 122 MET 5.99 4.54 1 126 GLN 4.15 2.77 1 127 GLN 3.36 1.67 1 128 GLU 6.01 4.24 1 129 TYR 4.49 4.21 1 130 LYS 5.59 3.70 1 131 LYS 5.02 3.33 1 132 GLN 3.75 4.22 1 133 MET 5.15 3.71 1 134 LEU 6.18 4.78 1 135 THR 3.94 2.19 1 136 ALA 4.00 2.73 1 137 ALA 4.62 4.16 1 138 HIS 4.01 2.23 1 139 ALA 3.42 3.18 1 140 LEU 4.09 2.82 1 141 ALA 5.54 4.10 1 142 VAL 5.60 2.42 1 143 ASP 4.13 2.88 1 144 ALA 4.95 2.91 1 145 LYS 3.88 2.82 1 146 ASN 4.78 2.75 1 147 LEU 4.02 3.15 1 148 LEU 4.45 3.64 1 149 ASP 5.09 3.84 1 150 VAL 6.20 4.09 1 151 ILE 4.82 3.52 1 152 ASP 4.06 2.69 1 153 GLN 2.51 2.61 1 154 ALA 4.19 3.77 1 155 ARG 3.27 2.06 1 157 LYS 1.64 1.77 1 158 MET 1.06 0.81 1 159 LEU -0.50 -0.30 1 161 GLN -0.20 -0.21 1 162 THR -0.61 -0.49 1 163 ARG 0.38 1.54 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr28012_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -1.75 _LACS_plot.Line_1_terminator_val_y_1 0.62 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.55 _LACS_plot.Line_2_terminator_val_x_2 7.93 _LACS_plot.Line_2_terminator_val_y_2 -2.29 _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 99 ALA 3.10 0.92 0 32 ARG -0.71 -1.27 0 92 THR 2.20 1.24 0 10 SER 0.46 -0.45 1 11 TYR 0.35 -0.37 1 12 ASN -0.27 0.12 1 13 GLU 0.06 -0.08 1 15 VAL 0.70 -0.72 1 16 LYS 0.08 -0.37 1 17 LEU -0.20 -0.18 1 18 GLN 0.11 -0.39 1 20 GLN 0.30 -0.26 1 21 GLU -0.86 0.34 1 22 ILE -0.42 -0.30 1 23 SER -0.22 -0.22 1 27 THR 1.29 -0.73 1 28 ALA -0.01 -0.16 1 29 ASN 0.07 -0.35 1 30 LEU -1.05 0.00 1 31 ASP 0.07 -0.22 1 33 SER 4.29 -1.54 1 34 ASN 0.06 -0.38 1 35 ASP -1.75 0.37 1 36 LYS 2.47 -0.87 1 37 VAL 7.24 -2.67 1 38 TYR 4.20 -0.28 1 39 GLU 3.31 -0.25 1 40 ASN 1.94 0.32 1 42 THR 7.93 -2.81 1 44 LEU 3.42 -0.75 1 45 VAL 7.54 -1.90 1 46 LYS 4.94 -1.26 1 47 ALA 4.17 -1.86 1 48 VAL 6.31 -1.56 1 49 ILE 5.82 -1.60 1 50 GLU 3.93 -1.05 1 51 MET 4.27 -0.55 1 52 SER 5.73 -1.70 1 53 SER 2.47 -0.45 1 54 LYS -0.39 0.94 1 55 ILE 4.02 -0.85 1 58 ALA -0.86 1.35 1 61 GLU 3.91 -1.45 1 62 GLU -0.88 0.82 1 63 TYR 1.51 -0.60 1 66 MET 3.57 0.09 1 67 VAL 5.53 -1.52 1 68 LYS 5.16 -1.68 1 69 GLU 3.69 -0.92 1 70 VAL 6.16 -1.81 1 72 LEU 3.66 -1.00 1 73 ALA 4.10 -2.00 1 74 LEU 4.27 -1.60 1 75 ARG 5.53 -1.59 1 76 THR 5.76 -1.23 1 77 LEU 4.37 -1.58 1 78 LEU 5.79 -2.45 1 79 ALA 3.65 -1.37 1 80 THR 6.08 -1.91 1 81 VAL 7.35 -2.01 1 82 ASP 4.80 -1.21 1 83 GLU 1.05 -0.10 1 84 THR 3.72 -0.81 1 85 ILE 0.34 -0.75 1 87 LEU 4.14 -1.44 1 88 LEU 3.31 -1.55 1 91 SER -0.11 0.62 1 93 HIS 4.91 -1.76 1 94 ARG 4.00 -0.96 1 95 GLU 5.59 -1.13 1 96 ILE 3.28 -0.76 1 97 GLU 3.93 -0.80 1 98 MET 2.64 -0.54 1 100 GLN 4.56 -1.12 1 101 LYS 3.64 -0.79 1 102 LEU 4.15 -1.18 1 103 LEU 5.50 -1.94 1 105 SER 4.48 -2.81 1 106 ASP 4.78 -2.11 1 107 LEU 2.80 -0.92 1 109 GLU 4.85 -0.93 1 110 LEU 5.52 -1.52 1 111 ILE 4.04 -0.98 1 112 ASN 3.40 -2.30 1 113 LYS 3.77 0.47 1 114 MET 4.59 -1.30 1 115 LYS 4.61 -1.94 1 116 LEU 4.61 -1.41 1 117 ALA 2.67 0.06 1 118 GLN 2.78 -0.71 1 119 GLN 1.96 -1.69 1 120 TYR 2.19 -0.97 1 121 VAL 3.08 -2.53 1 122 MET 5.99 -1.45 1 126 GLN 4.15 -1.38 1 127 GLN 3.36 -1.69 1 128 GLU 6.01 -1.77 1 129 TYR 4.49 -0.28 1 130 LYS 5.59 -1.89 1 131 LYS 5.02 -1.69 1 132 GLN 3.75 0.47 1 133 MET 5.15 -1.44 1 134 LEU 6.18 -1.40 1 135 THR 3.94 -1.75 1 136 ALA 4.00 -1.27 1 137 ALA 4.62 -0.46 1 138 HIS 4.01 -1.78 1 139 ALA 3.42 -0.24 1 140 LEU 4.09 -1.27 1 141 ALA 5.54 -1.44 1 142 VAL 5.60 -3.18 1 143 ASP 4.13 -1.25 1 144 ALA 4.95 -2.04 1 145 LYS 3.88 -1.06 1 146 ASN 4.78 -2.03 1 147 LEU 4.02 -0.87 1 148 LEU 4.45 -0.81 1 149 ASP 5.09 -1.25 1 150 VAL 6.20 -2.11 1 151 ILE 4.82 -1.30 1 152 ASP 4.06 -1.37 1 153 GLN 2.51 0.10 1 154 ALA 4.19 -0.42 1 155 ARG 3.27 -1.21 1 157 LYS 1.64 0.13 1 158 MET 1.06 -0.25 1 159 LEU -0.50 0.20 1 161 GLN -0.20 -0.01 1 162 THR -0.61 0.12 1 163 ARG 0.38 1.16 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr28012_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -1.75 _LACS_plot.Line_1_terminator_val_y_1 0.04 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.09 _LACS_plot.Line_2_terminator_val_x_2 7.93 _LACS_plot.Line_2_terminator_val_y_2 -0.58 _LACS_plot.Y_axis_chem_shift_offset 0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 92 THR 2.20 -0.55 0 81 VAL 7.35 -0.81 0 45 VAL 7.54 -0.82 0 91 SER -0.11 0.27 0 38 TYR 4.20 -0.71 0 142 VAL 5.60 -0.06 0 162 THR -0.61 -0.32 0 10 SER 0.46 -0.13 1 11 TYR 0.35 -0.08 1 12 ASN -0.27 -0.13 1 13 GLU 0.06 -0.16 1 15 VAL 0.70 -0.09 1 16 LYS 0.08 -0.06 1 17 LEU -0.20 -0.03 1 20 GLN 0.30 -0.07 1 21 GLU -0.86 -0.09 1 22 ILE -0.42 0.00 1 27 THR 1.29 -0.25 1 28 ALA -0.01 -0.10 1 29 ASN 0.07 -0.15 1 30 LEU -1.05 -0.07 1 31 ASP 0.07 -0.22 1 32 ARG -0.71 -0.09 1 33 SER 4.29 -0.41 1 34 ASN 0.06 0.01 1 35 ASP -1.75 0.02 1 36 LYS 2.47 -0.23 1 37 VAL 7.24 -0.70 1 39 GLU 3.31 -0.50 1 40 ASN 1.94 -0.08 1 42 THR 7.93 -0.74 1 44 LEU 3.42 -0.20 1 46 LYS 4.94 -0.42 1 47 ALA 4.17 -0.10 1 48 VAL 6.31 -0.58 1 49 ILE 5.82 -0.53 1 50 GLU 3.93 -0.34 1 51 MET 4.27 -0.35 1 52 SER 5.73 -0.42 1 53 SER 2.47 -0.08 1 54 LYS -0.39 0.06 1 55 ILE 4.02 -0.33 1 61 GLU 3.91 -0.38 1 62 GLU -0.88 0.06 1 67 VAL 5.53 -0.56 1 68 LYS 5.16 -0.30 1 69 GLU 3.69 -0.30 1 70 VAL 6.16 -0.65 1 72 LEU 3.66 -0.23 1 73 ALA 4.10 -0.20 1 74 LEU 4.27 -0.23 1 75 ARG 5.53 -0.45 1 76 THR 5.76 -0.19 1 77 LEU 4.37 -0.14 1 78 LEU 5.79 -0.54 1 79 ALA 3.65 -0.08 1 80 THR 6.08 -0.39 1 82 ASP 4.80 -0.23 1 83 GLU 1.05 -0.20 1 84 THR 3.72 -0.19 1 85 ILE 0.34 -0.02 1 87 LEU 3.31 -0.33 1 93 HIS 4.91 -0.18 1 94 ARG 4.00 -0.28 1 95 GLU 5.59 -0.66 1 96 ILE 3.28 -0.05 1 97 GLU 3.93 -0.31 1 98 MET 2.64 -0.13 1 99 ALA 3.10 -0.52 1 100 GLN 4.56 -0.29 1 101 LYS 3.64 -0.22 1 102 LEU 4.15 -0.19 1 103 LEU 5.50 -0.22 1 105 SER 4.48 -0.22 1 106 ASP 4.78 -0.29 1 107 LEU 2.80 -0.02 1 109 GLU 4.85 -0.44 1 110 LEU 5.52 -0.54 1 111 ILE 4.04 -0.33 1 112 ASN 3.40 -0.20 1 113 LYS 3.77 -0.05 1 114 MET 4.59 -0.23 1 115 LYS 4.61 -0.38 1 116 LEU 4.61 -0.33 1 117 ALA 2.78 -0.38 1 119 GLN 1.96 0.08 1 120 TYR 2.19 -0.07 1 121 VAL 5.99 -0.38 1 126 GLN 4.15 -0.31 1 127 GLN 3.36 -0.31 1 128 GLU 6.01 -0.54 1 129 TYR 5.59 -0.39 1 131 LYS 6.18 -0.38 1 135 THR 3.94 -0.05 1 136 ALA 4.00 -0.33 1 137 ALA 4.62 -0.56 1 138 HIS 4.01 -0.35 1 139 ALA 3.42 -0.07 1 140 LEU 4.09 -0.45 1 141 ALA 5.54 -0.67 1 143 ASP 4.13 -0.26 1 144 ALA 3.88 -0.22 1 146 ASN 4.78 -0.38 1 147 LEU 4.02 -0.49 1 148 LEU 4.45 -0.24 1 149 ASP 5.09 -0.36 1 150 VAL 6.20 -0.47 1 151 ILE 4.82 -0.27 1 152 ASP 4.06 -0.37 1 153 GLN 2.51 -0.20 1 154 ALA 4.19 -0.43 1 155 ARG 3.27 -0.21 1 157 LYS 1.64 -0.22 1 158 MET 1.06 -0.07 1 159 LEU -0.50 0.09 1 161 GLN -0.20 -0.03 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr28012_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -1.75 _LACS_plot.Line_1_terminator_val_y_1 -0.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.89 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.50 _LACS_plot.Line_2_terminator_val_x_2 7.93 _LACS_plot.Line_2_terminator_val_y_2 2.96 _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 163 ARG 0.38 4.61 0 10 SER 0.46 -0.32 1 11 TYR 0.35 -0.39 1 12 ASN -0.27 -0.41 1 13 GLU 0.06 0.21 1 15 VAL 0.70 -0.41 1 16 LYS 0.08 -0.57 1 17 LEU -0.20 -0.79 1 18 GLN 0.11 -0.40 1 20 GLN 0.30 -0.20 1 21 GLU -0.86 -0.61 1 22 ILE -0.42 -0.85 1 23 SER -0.22 -1.25 1 27 THR 1.29 0.09 1 28 ALA -0.01 -1.00 1 29 ASN 0.07 -0.68 1 30 LEU -1.05 -1.42 1 31 ASP 0.07 1.10 1 32 ARG -0.71 1.24 1 33 SER 4.29 0.15 1 34 ASN 0.06 -1.36 1 35 ASP -1.75 -0.25 1 36 LYS 2.47 2.56 1 37 VAL 7.24 1.05 1 38 TYR 4.20 2.62 1 39 GLU 3.31 2.46 1 40 ASN 1.94 3.74 1 42 THR 7.93 2.40 1 44 LEU 3.42 -0.09 1 45 VAL 7.54 1.37 1 46 LYS 4.94 1.92 1 47 ALA 4.17 3.00 1 48 VAL 6.31 2.29 1 49 ILE 5.82 2.88 1 50 GLU 3.93 2.65 1 51 MET 4.27 1.97 1 52 SER 5.73 0.85 1 53 SER 2.47 0.68 1 54 LYS -0.39 1.16 1 55 ILE 4.02 0.25 1 58 ALA -0.86 -0.51 1 61 GLU 3.91 0.97 1 62 GLU -0.88 1.13 1 63 TYR 1.51 2.93 1 66 MET 3.57 2.51 1 67 VAL 5.53 1.97 1 68 LYS 5.16 2.74 1 69 GLU 3.69 3.09 1 70 VAL 6.16 1.18 1 72 LEU 3.66 1.84 1 73 ALA 4.10 3.41 1 74 LEU 4.27 0.04 1 75 ARG 5.53 3.27 1 76 THR 5.76 1.13 1 77 LEU 4.37 0.24 1 78 LEU 5.79 0.70 1 79 ALA 3.65 2.75 1 80 THR 6.08 3.32 1 81 VAL 7.35 1.34 1 82 ASP 4.80 2.32 1 83 GLU 1.05 0.41 1 84 THR 3.72 -0.04 1 85 ILE 0.34 -0.47 1 87 LEU 4.14 -0.38 1 88 LEU 3.31 1.07 1 91 SER -0.11 1.23 1 92 THR 2.20 3.09 1 93 HIS 4.91 2.32 1 94 ARG 4.00 3.00 1 95 GLU 5.59 0.89 1 96 ILE 3.28 3.66 1 97 GLU 3.93 2.19 1 98 MET 2.64 2.75 1 99 ALA 3.10 1.79 1 100 GLN 4.56 3.09 1 101 LYS 3.64 0.92 1 102 LEU 4.15 1.21 1 103 LEU 5.50 2.46 1 105 SER 4.48 2.44 1 106 ASP 4.78 0.32 1 107 LEU 2.80 1.38 1 109 GLU 4.85 0.23 1 110 LEU 5.52 1.43 1 111 ILE 4.04 3.35 1 112 ASN 3.40 1.42 1 113 LYS 3.77 1.63 1 114 MET 4.59 3.56 1 115 LYS 4.61 0.57 1 116 LEU 4.61 1.67 1 117 ALA 2.67 2.36 1 118 GLN 2.78 1.16 1 119 GLN 1.96 0.06 1 120 TYR 2.19 -1.39 1 121 VAL 3.08 1.95 1 122 MET 5.99 2.05 1 126 GLN 4.15 2.30 1 127 GLN 3.36 2.28 1 128 GLU 6.01 2.91 1 129 TYR 4.49 1.90 1 130 LYS 5.59 2.91 1 131 LYS 5.02 3.85 1 132 GLN 3.75 1.16 1 133 MET 5.15 2.15 1 134 LEU 6.18 1.92 1 135 THR 3.94 1.86 1 136 ALA 4.00 0.31 1 137 ALA 4.62 2.65 1 138 HIS 4.01 0.63 1 139 ALA 3.42 0.57 1 140 LEU 4.09 1.99 1 141 ALA 5.54 2.61 1 142 VAL 5.60 3.46 1 143 ASP 4.13 0.25 1 144 ALA 4.95 1.96 1 145 LYS 3.88 1.83 1 146 ASN 4.78 -0.38 1 147 LEU 4.02 -0.60 1 148 LEU 4.45 2.70 1 149 ASP 5.09 2.86 1 150 VAL 6.20 1.20 1 151 ILE 4.82 3.04 1 152 ASP 4.06 2.81 1 153 GLN 2.51 1.73 1 154 ALA 4.19 3.23 1 155 ARG 3.27 1.96 1 157 LYS 1.64 0.89 1 158 MET 1.06 0.70 1 159 LEU -0.50 0.05 1 161 GLN -0.20 -0.61 1 162 THR -0.61 -0.50 1 stop_ save_