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 bmr25494_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.22 _LACS_plot.Line_1_terminator_val_y_1 -2.73 _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 -1.41 _LACS_plot.Line_2_terminator_val_x_2 7.11 _LACS_plot.Line_2_terminator_val_y_2 5.49 _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 151 SER 0.39 5.03 0 46 ILE 3.25 -2.00 0 11 LYS 3.87 2.96 1 12 GLU 2.02 2.31 1 13 VAL 5.73 4.27 1 15 SER 3.79 3.01 1 16 ILE 3.93 2.25 1 17 ILE 4.36 4.30 1 19 LYS 0.89 1.74 1 23 SER 4.65 2.68 1 24 VAL 5.38 3.18 1 25 LYS 4.47 4.25 1 26 ARG 4.62 3.36 1 27 ILE 5.14 4.64 1 28 ARG 4.68 4.70 1 29 GLU 3.11 2.87 1 30 GLU 1.67 1.73 1 31 SER 1.68 2.61 1 33 ALA -0.84 -1.34 1 34 ARG 0.73 -0.18 1 35 ILE -2.84 -1.15 1 36 ASN -4.64 -1.14 1 37 ILE -1.31 -0.55 1 38 SER 1.34 1.30 1 39 GLU -1.11 -0.04 1 41 ASN 0.28 -0.24 1 42 SER -1.87 -1.69 1 44 GLU -2.26 -1.55 1 45 ARG -5.22 -2.35 1 47 ILE -1.83 -1.20 1 48 THR 0.77 0.66 1 49 LEU -3.77 -1.39 1 50 THR -3.39 -1.13 1 53 THR 7.04 5.39 1 54 ASN 5.07 3.46 1 55 ALA 2.82 2.35 1 56 ILE 5.62 3.54 1 57 PHE 5.47 2.39 1 58 LYS 4.46 3.57 1 59 ALA 4.72 3.15 1 60 PHE 4.25 3.63 1 61 ALA 4.13 3.09 1 62 MET 2.90 4.23 1 63 ILE 5.80 5.19 1 64 ILE 6.42 4.60 1 65 ASP 4.26 3.45 1 66 LYS 3.56 1.40 1 67 LEU 3.76 2.84 1 68 GLU 2.98 1.75 1 69 GLU 3.18 2.65 1 70 ASP 2.73 2.43 1 71 ILE 3.91 3.40 1 72 ASN 2.65 2.28 1 73 SER 2.38 2.00 1 74 SER 0.88 0.98 1 75 MET 0.51 0.26 1 76 THR 1.35 1.12 1 77 ASN 0.50 0.30 1 78 SER 0.19 0.42 1 79 THR 0.24 0.12 1 80 ALA 0.73 0.66 1 81 ALA 0.32 0.47 1 82 SER -0.61 -0.38 1 83 ARG -1.41 -1.88 1 86 VAL -1.43 -0.71 1 87 THR -1.11 -0.08 1 88 LEU -5.79 -2.05 1 89 ARG -2.20 -1.58 1 90 LEU -3.68 -0.86 1 91 VAL 0.41 0.02 1 94 ALA 4.69 3.78 1 95 THR 4.35 2.83 1 96 GLN 1.90 1.88 1 97 ALA 3.59 2.53 1 99 SER 3.08 2.44 1 100 LEU 1.76 1.98 1 101 ILE 0.73 0.95 1 103 LYS 3.59 1.17 1 106 ALA 3.66 3.41 1 107 LYS 3.78 1.93 1 108 ILE 4.99 3.15 1 109 LYS 4.83 4.33 1 110 GLU 3.26 2.82 1 111 ILE 4.60 4.53 1 112 ARG 4.49 4.47 1 113 GLU 3.14 2.60 1 114 SER 2.55 2.46 1 115 THR -0.77 1.31 1 117 ALA -1.10 -1.13 1 118 GLN 0.36 0.10 1 119 VAL -2.98 -1.07 1 120 GLN -4.38 -1.36 1 121 VAL 0.88 0.19 1 122 ALA -1.27 0.17 1 124 ASP -1.53 -0.81 1 125 MET -0.45 0.21 1 126 LEU 0.74 -1.27 1 128 ASN 1.44 0.49 1 129 SER -1.57 -0.15 1 130 THR 0.83 -0.28 1 131 GLU -3.29 -0.80 1 132 ARG -5.68 -2.28 1 133 ALA -3.19 -2.14 1 134 ILE -2.72 -1.15 1 135 THR 1.09 0.81 1 136 ILE -2.91 -0.84 1 137 ALA -7.22 -2.39 1 139 VAL 1.91 -1.33 1 141 GLN 5.68 4.29 1 142 SER 4.40 3.81 1 143 VAL 5.53 4.18 1 144 THR 7.11 5.64 1 145 GLU 3.35 2.36 1 146 ALA 4.76 3.66 1 147 VAL 6.82 4.63 1 148 LYS 5.47 4.35 1 149 GLN 5.42 4.56 1 150 ILE 5.26 4.60 1 152 LEU 3.89 2.83 1 153 VAL 5.23 3.87 1 155 LEU 2.70 2.58 1 156 GLU 2.70 2.17 1 157 THR 3.88 3.30 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25494_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.22 _LACS_plot.Line_1_terminator_val_y_1 4.49 _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 0.59 _LACS_plot.Line_2_terminator_val_x_2 7.11 _LACS_plot.Line_2_terminator_val_y_2 -1.62 _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 151 SER 0.39 4.64 0 46 ILE 3.25 -5.25 0 11 LYS 3.87 -0.91 1 12 GLU 2.02 0.29 1 13 VAL 5.73 -1.46 1 15 SER 3.79 -0.78 1 16 ILE 3.93 -1.68 1 17 ILE 4.36 -0.06 1 19 LYS 0.89 0.85 1 23 SER 4.65 -1.97 1 24 VAL 5.38 -2.20 1 25 LYS 4.47 -0.22 1 26 ARG 4.62 -1.26 1 27 ILE 5.14 -0.50 1 28 ARG 4.68 0.02 1 29 GLU 3.11 -0.24 1 30 GLU 1.67 0.06 1 31 SER 1.68 0.93 1 33 ALA -0.84 -0.50 1 34 ARG 0.73 -0.91 1 35 ILE -2.84 1.69 1 36 ASN -4.64 3.50 1 37 ILE -1.31 0.76 1 38 SER 1.34 -0.04 1 39 GLU -1.11 1.07 1 41 ASN 0.28 -0.52 1 42 SER -1.87 0.18 1 44 GLU -2.26 0.71 1 45 ARG -5.22 2.87 1 47 ILE -1.83 0.63 1 48 THR 0.77 -0.11 1 49 LEU -3.77 2.38 1 50 THR -3.39 2.26 1 53 THR 7.04 -1.65 1 54 ASN 5.07 -1.61 1 55 ALA 2.82 -0.47 1 56 ILE 5.62 -2.08 1 57 PHE 5.47 -3.08 1 58 LYS 4.46 -0.89 1 59 ALA 4.72 -1.57 1 60 PHE 4.25 -0.62 1 61 ALA 4.13 -1.04 1 62 MET 2.90 1.33 1 63 ILE 5.80 -0.61 1 64 ILE 6.42 -1.82 1 65 ASP 4.26 -0.81 1 66 LYS 3.56 -2.16 1 67 LEU 3.76 -0.92 1 68 GLU 2.98 -1.23 1 69 GLU 3.18 -0.53 1 70 ASP 2.73 -0.30 1 71 ILE 3.91 -0.51 1 72 ASN 2.65 -0.37 1 73 SER 2.38 -0.38 1 74 SER 0.88 0.10 1 75 MET 0.51 -0.25 1 76 THR 1.35 -0.23 1 77 ASN 0.50 -0.20 1 78 SER 0.19 0.23 1 79 THR 0.24 -0.12 1 80 ALA 0.73 -0.07 1 81 ALA 0.32 0.15 1 82 SER -0.61 0.23 1 83 ARG -1.41 -0.47 1 86 VAL -1.43 0.72 1 87 THR -1.11 1.03 1 88 LEU -5.79 3.74 1 89 ARG -2.20 0.62 1 90 LEU -3.68 2.82 1 91 VAL 0.41 -0.39 1 94 ALA 4.69 -0.91 1 95 THR 4.35 -1.52 1 96 GLN 1.90 -0.02 1 97 ALA 3.59 -1.06 1 99 SER 3.08 -0.64 1 100 LEU 1.76 0.22 1 101 ILE 0.73 0.22 1 103 LYS 3.59 -2.42 1 106 ALA 3.66 -0.25 1 107 LYS 3.78 -1.85 1 108 ILE 4.99 -1.84 1 109 LYS 4.83 -0.50 1 110 GLU 3.26 -0.44 1 111 ILE 4.60 -0.07 1 112 ARG 4.49 -0.02 1 113 GLU 3.14 -0.54 1 114 SER 2.55 -0.09 1 115 THR -0.77 2.08 1 117 ALA -1.10 -0.03 1 118 GLN 0.36 -0.26 1 119 VAL -2.98 1.91 1 120 GLN -4.38 3.02 1 121 VAL 0.88 -0.69 1 122 ALA -1.27 1.44 1 124 ASP -1.53 0.72 1 125 MET -0.45 0.66 1 126 LEU 0.74 -2.01 1 128 ASN 1.44 -0.95 1 129 SER -1.57 1.42 1 130 THR 0.83 -1.11 1 131 GLU -3.29 2.49 1 132 ARG -5.68 3.40 1 133 ALA -3.19 1.05 1 134 ILE -2.72 1.57 1 135 THR 1.09 -0.28 1 136 ILE -2.91 2.07 1 137 ALA -7.22 4.83 1 139 VAL 1.91 -3.24 1 141 GLN 5.68 -1.39 1 142 SER 4.40 -0.59 1 143 VAL 5.53 -1.35 1 144 THR 7.11 -1.47 1 145 GLU 3.35 -0.99 1 146 ALA 4.76 -1.10 1 147 VAL 6.82 -2.19 1 148 LYS 5.47 -1.12 1 149 GLN 5.42 -0.86 1 150 ILE 5.26 -0.66 1 152 LEU 3.89 -1.06 1 153 VAL 5.23 -1.36 1 155 LEU 2.70 -0.12 1 156 GLU 2.70 -0.53 1 157 THR 3.88 -0.58 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25494_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.22 _LACS_plot.Line_1_terminator_val_y_1 0.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.36 _LACS_plot.Line_2_terminator_val_x_2 7.11 _LACS_plot.Line_2_terminator_val_y_2 -0.59 _LACS_plot.Y_axis_chem_shift_offset -0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 46 ILE 3.25 0.99 0 11 LYS 3.87 -0.18 1 12 GLU 2.02 -0.27 1 13 VAL 5.73 -0.57 1 15 SER 3.79 -0.21 1 16 ILE 3.93 -0.22 1 17 ILE 4.36 -0.46 1 19 LYS 0.89 -0.17 1 23 SER 4.65 -0.25 1 24 VAL 5.38 -0.07 1 25 LYS 4.47 -0.26 1 26 ARG 4.62 -0.28 1 27 ILE 5.14 -0.20 1 28 ARG 4.68 -0.39 1 29 GLU 3.11 -0.13 1 30 GLU 1.67 -0.12 1 31 SER 1.68 -0.24 1 33 ALA -0.84 0.07 1 34 ARG 0.73 0.15 1 35 ILE -2.84 0.86 1 36 ASN -4.64 0.41 1 37 ILE -1.31 0.57 1 38 SER 1.34 -0.15 1 39 GLU -1.11 -0.01 1 41 ASN 0.28 0.09 1 42 SER -1.87 0.36 1 44 GLU -2.26 0.47 1 45 ARG -5.22 0.16 1 47 ILE -1.83 0.74 1 48 THR 0.77 0.71 1 49 LEU -3.77 0.68 1 50 THR -3.39 0.99 1 53 THR 7.04 -0.95 1 54 ASN 5.07 -0.45 1 55 ALA 2.82 0.07 1 56 ILE 5.62 -0.90 1 57 PHE 5.47 -0.13 1 58 LYS 4.46 -0.01 1 59 ALA 4.72 0.15 1 60 PHE 4.25 -0.58 1 61 ALA 4.13 -0.30 1 62 MET 2.90 -0.56 1 63 ILE 5.80 -0.17 1 64 ILE 6.42 -0.69 1 65 ASP 4.26 -0.26 1 66 LYS 3.56 -0.18 1 67 LEU 3.76 -0.20 1 68 GLU 2.98 -0.19 1 69 GLU 3.18 -0.25 1 70 ASP 2.73 -0.08 1 71 ILE 3.91 -0.28 1 72 ASN 2.65 -0.14 1 73 SER 2.38 -0.07 1 74 SER 0.88 0.07 1 75 MET 0.51 0.14 1 76 THR 1.35 -0.04 1 77 ASN 0.50 0.05 1 78 SER 0.19 0.07 1 79 THR 0.24 0.08 1 80 ALA 0.73 -0.04 1 81 ALA 0.32 -0.05 1 82 SER -0.61 0.00 1 83 ARG -1.41 0.31 1 86 VAL -1.43 0.49 1 87 THR -1.11 0.89 1 88 LEU -5.79 0.35 1 89 ARG -2.20 0.90 1 90 LEU -3.68 0.75 1 91 VAL 0.41 0.40 1 94 ALA 4.69 -0.40 1 95 THR 4.35 -0.27 1 96 GLN 1.90 0.04 1 97 ALA 3.59 -0.41 1 99 SER 3.08 -0.15 1 100 LEU 1.76 -0.20 1 101 ILE 0.73 0.03 1 103 LYS 3.59 -0.22 1 106 ALA 3.66 -0.27 1 107 LYS 3.78 -0.06 1 108 ILE 4.99 -0.41 1 109 LYS 4.83 -0.34 1 110 GLU 3.26 -0.24 1 111 ILE 4.60 -0.29 1 112 ARG 4.49 -0.16 1 113 GLU 3.14 -0.26 1 114 SER 2.55 -0.13 1 115 THR -0.77 0.16 1 117 ALA -1.10 0.13 1 118 GLN 0.36 0.12 1 119 VAL -2.98 0.97 1 120 GLN -4.38 0.41 1 121 VAL 0.88 0.15 1 122 ALA -1.27 0.11 1 124 ASP -1.53 0.05 1 125 MET -0.45 -0.01 1 126 LEU 0.74 0.13 1 128 ASN 1.44 -0.24 1 129 SER -1.57 0.27 1 130 THR 0.83 0.39 1 131 GLU -3.29 0.34 1 132 ARG -5.68 0.42 1 133 ALA -3.19 1.03 1 134 ILE -2.72 0.57 1 135 THR 1.09 0.59 1 136 ILE -2.91 0.75 1 137 ALA -7.22 1.60 1 139 VAL 1.91 -0.10 1 141 GLN 5.68 -0.26 1 142 SER 4.40 -0.13 1 143 VAL 5.53 -0.81 1 144 THR 7.11 0.07 1 145 GLU 3.35 -0.10 1 146 ALA 4.76 -0.01 1 147 VAL 6.82 -0.65 1 148 LYS 5.47 -0.71 1 149 GLN 5.42 -0.44 1 150 ILE 5.26 -0.67 1 151 SER 0.39 -0.20 1 152 LEU 3.89 -0.11 1 153 VAL 5.23 -0.64 1 155 LEU 2.70 -0.21 1 156 GLU 2.70 -0.19 1 157 THR 3.88 -0.23 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25494_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.22 _LACS_plot.Line_1_terminator_val_y_1 -3.27 _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 -0.92 _LACS_plot.Line_2_terminator_val_x_2 7.11 _LACS_plot.Line_2_terminator_val_y_2 3.06 _LACS_plot.Y_axis_chem_shift_offset 0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 137 ALA -7.22 -1.15 0 11 LYS 3.87 2.16 1 12 GLU 2.02 1.92 1 13 VAL 5.73 1.42 1 15 SER 3.79 0.87 1 16 ILE 3.93 0.07 1 17 ILE 4.36 2.57 1 23 SER 4.65 1.81 1 24 VAL 5.38 0.18 1 25 LYS 4.47 1.40 1 26 ARG 4.62 2.51 1 27 ILE 5.14 4.14 1 28 ARG 4.68 2.08 1 29 GLU 3.11 2.61 1 30 GLU 1.67 1.70 1 31 SER 1.68 0.47 1 33 ALA -0.84 -1.39 1 34 ARG 0.73 -0.25 1 35 ILE -2.84 -1.79 1 36 ASN -4.64 -2.12 1 37 ILE -1.31 -0.64 1 38 SER 1.34 -0.93 1 39 GLU -1.11 0.34 1 41 ASN 0.28 -0.01 1 44 GLU -2.26 -1.05 1 45 ARG -5.22 -2.42 1 46 ILE 3.25 0.67 1 47 ILE -1.83 -1.63 1 48 THR 0.77 -0.90 1 49 LEU -3.77 -2.25 1 50 THR -3.39 -1.52 1 53 THR 7.04 0.48 1 54 ASN 5.07 2.53 1 55 ALA 2.82 1.77 1 56 ILE 5.62 1.65 1 57 PHE 5.47 3.45 1 58 LYS 4.46 1.77 1 59 ALA 4.72 1.89 1 60 PHE 4.25 1.34 1 61 ALA 4.13 2.11 1 62 MET 2.90 3.25 1 63 ILE 5.80 0.51 1 64 ILE 6.42 1.05 1 65 ASP 4.26 2.84 1 66 LYS 3.56 2.31 1 67 LEU 3.76 2.82 1 68 GLU 2.98 1.38 1 69 GLU 3.18 2.22 1 70 ASP 2.73 2.29 1 71 ILE 3.91 1.78 1 72 ASN 2.65 2.02 1 73 SER 2.38 0.72 1 74 SER 0.88 0.23 1 75 MET 0.51 0.44 1 76 THR 1.35 -0.02 1 77 ASN 0.50 0.10 1 78 SER 0.19 0.48 1 79 THR 0.24 0.04 1 80 ALA 0.73 -0.01 1 81 ALA 0.32 -0.09 1 82 SER -0.61 -0.79 1 87 THR -1.11 -1.38 1 88 LEU -5.79 -2.57 1 89 ARG -2.20 -1.87 1 90 LEU -3.68 -1.33 1 91 VAL 0.41 -0.22 1 94 ALA 4.69 2.68 1 95 THR 4.35 2.17 1 96 GLN 1.90 1.47 1 97 ALA 3.59 1.04 1 99 SER 3.08 1.03 1 100 LEU 1.76 -1.17 1 101 ILE 0.73 1.10 1 103 LYS 3.59 2.01 1 106 ALA 3.66 2.40 1 107 LYS 3.78 2.20 1 108 ILE 4.99 1.03 1 109 LYS 4.83 1.77 1 110 GLU 3.26 3.08 1 111 ILE 4.60 3.47 1 112 ARG 4.49 3.10 1 113 GLU 3.14 2.24 1 114 SER 2.55 2.22 1 115 THR -0.77 2.03 1 117 ALA -1.10 -0.72 1 118 GLN 0.36 0.04 1 119 VAL -2.98 -1.64 1 120 GLN -4.38 -1.90 1 121 VAL 0.88 -0.86 1 122 ALA -1.27 0.55 1 124 ASP -1.53 -0.74 1 125 MET -0.45 0.11 1 128 ASN 1.44 -0.68 1 129 SER -1.57 -0.30 1 130 THR 0.83 0.06 1 131 GLU -3.29 -1.66 1 132 ARG -5.68 -2.48 1 133 ALA -3.19 -1.06 1 134 ILE -2.72 -0.73 1 135 THR 1.09 -0.96 1 136 ILE -2.91 -2.71 1 141 GLN 5.68 2.31 1 142 SER 4.40 1.10 1 143 VAL 5.53 0.98 1 144 THR 7.11 1.06 1 145 GLU 3.35 2.15 1 146 ALA 4.76 1.40 1 147 VAL 6.82 2.42 1 148 LYS 5.47 1.67 1 149 GLN 5.42 3.93 1 150 ILE 5.26 1.13 1 151 SER 0.39 1.07 1 152 LEU 3.89 2.32 1 153 VAL 5.23 2.86 1 155 LEU 2.70 1.04 1 156 GLU 2.70 1.69 1 157 THR 3.88 1.19 1 stop_ save_