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 bmr15542_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.09 _LACS_plot.Line_1_terminator_val_y_1 -2.61 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.65 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.54 _LACS_plot.Line_2_terminator_val_x_2 5.51 _LACS_plot.Line_2_terminator_val_y_2 3.59 _LACS_plot.Y_axis_chem_shift_offset 0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 34 GLN 4.06 4.72 0 139 LEU 1.00 -2.73 0 10 MET 0.08 -0.34 1 11 LYS 0.64 -0.09 1 12 HIS -0.04 0.05 1 13 SER -0.40 -0.45 1 14 VAL 0.22 -0.12 1 15 SER -0.25 -0.45 1 16 THR 0.22 -0.29 1 17 LEU 0.72 0.35 1 18 ASN 0.62 0.18 1 19 GLN 0.70 0.38 1 20 GLU 0.54 0.33 1 21 MET 1.12 0.41 1 22 THR 1.12 0.49 1 23 GLN 0.74 0.45 1 24 LEU 0.67 0.42 1 25 ASN 0.83 0.38 1 26 GLN 1.74 1.34 1 27 GLU 2.52 1.97 1 28 THR 4.41 2.96 1 29 VAL 4.65 3.37 1 30 LYS 3.14 1.58 1 31 ILE 4.85 4.61 1 32 THR 5.52 4.12 1 33 GLN 4.86 3.35 1 35 ASN 4.26 2.26 1 36 ARG 3.77 2.58 1 37 LEU 3.84 1.99 1 38 ASN 2.14 1.31 1 39 ALA 2.24 1.48 1 40 LYS -0.67 -0.92 1 41 SER -0.23 -0.11 1 42 SER -0.08 -0.17 1 43 SER -0.34 -0.99 1 45 VAL -5.56 -3.22 1 46 TYR -2.36 0.22 1 47 LEU -4.62 -2.33 1 48 LEU -0.44 -2.00 1 51 ALA 1.27 0.66 1 52 LYS 3.15 0.78 1 53 THR -3.17 -0.24 1 55 ALA -5.76 -2.00 1 56 ARG -3.55 -1.60 1 57 LEU -5.90 -2.07 1 58 GLU 1.06 -0.87 1 59 SER -6.09 -0.72 1 60 GLN 1.82 2.09 1 61 ILE 0.50 -1.29 1 63 THR 3.93 2.24 1 64 LEU -4.77 -2.42 1 65 ARG -2.13 -1.19 1 66 MET -4.47 -1.46 1 67 SER -2.79 -0.84 1 68 LEU -2.13 -2.26 1 69 VAL -4.80 -2.35 1 70 ASN 2.42 0.45 1 71 ILE 3.60 2.00 1 72 THR -2.35 -0.22 1 74 ASP -4.23 -1.59 1 75 ALA 2.91 1.93 1 76 ASP -1.17 -1.04 1 78 THR -1.02 1.40 1 79 THR -2.14 -1.50 1 80 LEU -3.09 -0.91 1 81 THR -0.35 0.04 1 82 LEU -2.81 -2.02 1 83 ARG -1.99 -1.56 1 84 ILE -1.93 -0.61 1 85 GLN -5.64 -2.59 1 87 GLU -0.58 -0.54 1 88 SER -0.83 -0.83 1 89 ASN 1.31 0.62 1 90 ASP -1.13 -0.81 1 92 LEU 0.05 -0.40 1 94 ALA 0.70 0.16 1 95 PHE -3.44 -1.49 1 96 SER -5.63 -2.75 1 98 THR 0.22 0.66 1 99 VAL -3.41 -2.50 1 100 GLU -5.38 -3.47 1 101 TYR -3.81 -3.09 1 103 GLN -3.53 -0.96 1 104 ILE -3.29 -1.61 1 105 GLN -4.74 -2.11 1 107 THR -3.54 -2.19 1 108 ILE 2.88 1.82 1 109 ASP 0.08 0.34 1 110 ASN 0.40 -0.06 1 111 PHE -1.69 -1.07 1 112 GLN -4.13 -1.67 1 113 GLU -1.18 -1.19 1 114 ILE -5.03 -1.96 1 115 ASN 2.77 0.34 1 116 VAL 1.66 0.98 1 117 GLN -5.59 -1.87 1 118 ASN -5.10 -1.36 1 119 GLN -5.30 -0.54 1 120 LEU -1.21 -0.77 1 121 ILE -5.11 -2.33 1 122 ASN -3.66 -0.45 1 123 ALA -3.86 -1.96 1 125 ALA 0.66 0.19 1 126 SER 0.03 0.87 1 127 VAL 0.04 -0.01 1 128 LEU -3.63 -1.46 1 129 ALA 0.10 2.98 1 131 SER 1.01 1.08 1 132 ASP -1.55 -0.86 1 133 VAL -2.08 -0.53 1 134 ASP -2.01 -1.87 1 135 ILE -1.93 -1.22 1 137 LEU -4.56 -1.49 1 138 GLN -0.57 -0.92 1 140 LYS 1.07 0.63 1 142 ILE -4.19 -2.55 1 143 SER -2.90 -1.65 1 144 VAL 4.93 3.46 1 145 ASP 1.84 1.01 1 146 GLN -1.22 -0.63 1 147 LEU 1.85 -0.20 1 149 PHE -3.18 -0.76 1 150 VAL -2.82 -1.13 1 151 ARG -5.11 -2.47 1 152 ILE -1.38 -0.64 1 153 HIS -4.31 -1.58 1 154 ASP 3.08 1.43 1 155 ILE 1.61 -1.43 1 156 GLN -4.13 -1.72 1 158 VAL 0.32 0.03 1 159 MET -0.32 -0.67 1 160 GLN -0.01 -0.30 1 161 LEU 0.11 -0.06 1 162 GLU -0.44 -0.26 1 163 HIS 0.03 0.44 1 166 HIS 0.50 0.71 1 167 HIS 2.42 -0.32 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15542_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.09 _LACS_plot.Line_1_terminator_val_y_1 3.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.35 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.46 _LACS_plot.Line_2_terminator_val_x_2 5.51 _LACS_plot.Line_2_terminator_val_y_2 -1.92 _LACS_plot.Y_axis_chem_shift_offset 0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 34 GLN 4.06 0.66 0 139 LEU 1.00 -3.73 0 10 MET 0.08 -0.42 1 11 LYS 0.64 -0.73 1 12 HIS -0.04 0.09 1 13 SER -0.40 -0.05 1 14 VAL 0.22 -0.34 1 15 SER -0.25 -0.20 1 16 THR 0.22 -0.51 1 17 LEU 0.72 -0.37 1 18 ASN 0.62 -0.44 1 19 GLN 0.70 -0.32 1 20 GLU 0.54 -0.21 1 21 MET 1.12 -0.71 1 22 THR 1.12 -0.63 1 23 GLN 0.74 -0.29 1 24 LEU 0.67 -0.25 1 25 ASN 0.83 -0.45 1 26 GLN 1.74 -0.40 1 27 GLU 2.52 -0.55 1 28 THR 4.41 -1.45 1 29 VAL 4.65 -1.28 1 30 LYS 3.14 -1.56 1 31 ILE 4.85 -0.24 1 32 THR 5.52 -1.40 1 33 GLN 4.86 -1.51 1 35 ASN 4.26 -2.00 1 36 ARG 3.77 -1.19 1 37 LEU 3.84 -1.85 1 38 ASN 2.14 -0.83 1 39 ALA 2.24 -0.76 1 40 LYS -0.67 -0.25 1 41 SER -0.23 0.12 1 42 SER -0.08 -0.09 1 43 SER -0.34 -0.65 1 45 VAL -5.56 2.34 1 46 TYR -2.36 2.58 1 47 LEU -4.62 2.29 1 48 LEU -0.44 -1.56 1 51 ALA 1.27 -0.61 1 52 LYS 3.15 -2.37 1 53 THR -3.17 2.93 1 55 ALA -5.76 3.76 1 56 ARG -3.55 1.95 1 57 LEU -5.90 3.83 1 58 GLU 1.06 -1.93 1 59 SER -6.09 5.37 1 60 GLN 1.82 0.27 1 61 ILE 0.50 -1.79 1 63 THR 3.93 -1.69 1 64 LEU -4.77 2.35 1 65 ARG -2.13 0.94 1 66 MET -4.47 3.01 1 67 SER -2.79 1.95 1 68 LEU -2.13 -0.13 1 69 VAL -4.80 2.45 1 70 ASN 2.42 -1.97 1 71 ILE 3.60 -1.60 1 72 THR -2.35 2.13 1 74 ASP -4.23 2.64 1 75 ALA 2.91 -0.98 1 76 ASP -1.17 0.13 1 78 THR -1.02 2.42 1 79 THR -2.14 0.64 1 80 LEU -3.09 2.18 1 81 THR -0.35 0.39 1 82 LEU -2.81 0.79 1 83 ARG -1.99 0.43 1 84 ILE -1.93 1.32 1 85 GLN -5.64 3.05 1 87 GLU -0.58 0.04 1 88 SER -0.83 0.00 1 89 ASN 1.31 -0.69 1 90 ASP -1.13 0.32 1 92 LEU 0.05 -0.45 1 94 ALA 0.70 -0.54 1 95 PHE -3.44 1.95 1 96 SER -5.63 2.88 1 98 THR 0.22 0.44 1 99 VAL -3.41 0.91 1 100 GLU -5.38 1.91 1 101 TYR -3.81 0.72 1 103 GLN -3.53 2.57 1 104 ILE -3.29 1.68 1 105 GLN -4.74 2.63 1 107 THR -3.54 1.35 1 108 ILE 2.88 -1.06 1 109 ASP 0.08 0.26 1 110 ASN 0.40 -0.46 1 111 PHE -1.69 0.62 1 112 GLN -4.13 2.46 1 113 GLU -1.18 -0.01 1 114 ILE -5.03 3.07 1 115 ASN 2.77 -2.43 1 116 VAL 1.66 -0.68 1 117 GLN -5.59 3.72 1 118 ASN -5.10 3.74 1 119 GLN -5.30 4.76 1 120 LEU -1.21 0.44 1 121 ILE -5.11 2.78 1 122 ASN -3.66 3.21 1 123 ALA -3.86 1.90 1 125 ALA 0.66 -0.47 1 126 SER 0.03 0.84 1 127 VAL 0.04 -0.05 1 128 LEU -3.63 2.17 1 129 ALA 0.10 2.88 1 131 SER 1.01 0.07 1 132 ASP -1.55 0.69 1 133 VAL -2.08 1.55 1 134 ASP -2.01 0.14 1 135 ILE -1.93 0.71 1 137 LEU -4.56 3.07 1 138 GLN -0.57 -0.35 1 140 LYS 1.07 -0.44 1 142 ILE -4.19 1.64 1 143 SER -2.90 1.25 1 144 VAL 4.93 -1.47 1 145 ASP 1.84 -0.83 1 146 GLN -1.22 0.59 1 147 LEU 1.85 -2.05 1 149 PHE -3.18 2.42 1 150 VAL -2.82 1.69 1 151 ARG -5.11 2.64 1 152 ILE -1.38 0.74 1 153 HIS -4.31 2.73 1 154 ASP 3.08 -1.65 1 155 ILE 1.61 -3.04 1 156 GLN -4.13 2.41 1 158 VAL 0.32 -0.29 1 159 MET -0.32 -0.35 1 160 GLN -0.01 -0.29 1 161 LEU 0.11 -0.17 1 162 GLU -0.44 0.18 1 163 HIS 0.03 0.41 1 166 HIS 0.50 0.21 1 167 HIS 2.42 -2.74 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15542_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.09 _LACS_plot.Line_1_terminator_val_y_1 0.73 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.31 _LACS_plot.Line_2_terminator_val_x_2 5.51 _LACS_plot.Line_2_terminator_val_y_2 -0.47 _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 151 ARG -5.11 1.44 0 155 ILE 1.61 0.88 0 10 MET 0.08 -0.02 1 11 LYS 0.64 -0.02 1 12 HIS -0.04 0.02 1 13 SER -0.40 0.05 1 14 VAL 0.22 0.12 1 15 SER -0.25 0.09 1 16 THR 0.22 0.01 1 17 LEU 0.72 -0.01 1 18 ASN 0.62 -0.06 1 19 GLN 0.70 -0.02 1 20 GLU 0.54 -0.08 1 21 MET 1.12 0.06 1 22 THR 1.12 -0.05 1 23 GLN 0.74 0.00 1 24 LEU 0.67 -0.01 1 25 ASN 0.83 -0.05 1 26 GLN 1.74 -0.13 1 27 GLU 2.52 -0.15 1 28 THR 4.41 -0.27 1 29 VAL 4.65 -0.31 1 30 LYS 3.14 -0.15 1 31 ILE 4.85 -0.57 1 32 THR 5.52 -0.35 1 33 GLN 4.86 -0.45 1 34 GLN 4.06 -0.72 1 35 ASN 4.26 -0.15 1 36 ARG 3.77 -0.20 1 37 LEU 3.84 -0.55 1 38 ASN 2.14 0.39 1 39 ALA 2.24 0.02 1 40 LYS -0.67 0.21 1 41 SER -0.23 0.15 1 42 SER -0.08 0.32 1 43 SER -0.34 0.18 1 45 VAL -5.56 0.72 1 46 TYR -2.36 0.45 1 47 LEU -4.62 0.36 1 48 LEU -0.44 0.55 1 51 ALA 1.27 -0.06 1 52 LYS 3.15 -0.23 1 53 THR -3.17 0.31 1 55 ALA -5.76 0.50 1 56 ARG -3.55 0.92 1 57 LEU -5.90 0.33 1 58 GLU 1.06 0.19 1 59 SER -6.09 0.50 1 60 GLN 1.82 -0.08 1 61 ILE 0.50 0.45 1 63 THR 3.93 0.25 1 64 LEU -4.77 0.78 1 65 ARG -2.13 0.65 1 66 MET -4.47 1.34 1 67 SER -2.79 0.19 1 68 LEU -2.13 0.78 1 69 VAL -4.80 0.32 1 70 ASN 2.42 -0.40 1 71 ILE 3.60 0.07 1 72 THR -2.35 0.36 1 74 ASP -4.23 0.18 1 75 ALA 2.91 -0.26 1 76 ASP -1.17 0.18 1 78 THR -1.02 0.31 1 79 THR -2.14 0.81 1 80 LEU -3.09 0.49 1 81 THR -0.35 0.39 1 82 LEU -2.81 0.41 1 83 ARG -1.99 0.83 1 84 ILE -1.93 0.44 1 85 GLN -5.64 1.12 1 87 GLU -0.58 0.12 1 88 SER -0.83 0.00 1 89 ASN 1.31 -0.21 1 90 ASP -1.13 0.13 1 92 LEU 0.05 -0.18 1 94 ALA 0.70 -0.16 1 95 PHE -3.44 0.87 1 96 SER -5.63 0.96 1 98 THR 0.22 0.49 1 99 VAL -3.41 0.92 1 100 GLU -5.38 1.11 1 101 TYR -3.81 0.02 1 103 GLN -3.53 0.55 1 104 ILE -3.29 0.86 1 105 GLN -4.74 0.45 1 107 THR -3.54 0.22 1 108 ILE 2.88 -0.40 1 109 ASP 0.08 -0.08 1 110 ASN 0.40 -0.02 1 111 PHE -1.69 0.63 1 112 GLN -4.13 0.20 1 113 GLU -1.18 0.43 1 114 ILE -5.03 0.49 1 115 ASN 2.77 -0.40 1 116 VAL 1.66 0.27 1 117 GLN -5.59 0.21 1 118 ASN -5.10 1.10 1 119 GLN -5.30 0.35 1 120 LEU -1.21 0.72 1 121 ILE -5.11 0.61 1 122 ASN -3.66 0.33 1 123 ALA -3.86 -0.02 1 125 ALA 0.66 -0.42 1 126 SER 0.03 0.15 1 127 VAL 0.04 0.16 1 128 LEU -3.63 0.25 1 129 ALA 0.10 -0.08 1 131 SER 1.01 0.05 1 132 ASP -1.55 0.62 1 133 VAL -2.08 0.11 1 134 ASP -2.01 0.73 1 135 ILE -1.93 0.19 1 137 LEU -4.56 0.40 1 138 GLN -0.57 0.24 1 139 LEU 1.00 -0.13 1 140 LYS 1.07 0.03 1 142 ILE -4.19 0.43 1 143 SER -2.90 0.14 1 144 VAL 4.93 -0.53 1 145 ASP 1.84 -0.21 1 146 GLN -1.22 -0.04 1 147 LEU 1.85 -0.22 1 149 PHE -3.18 0.59 1 150 VAL -2.82 0.66 1 152 ILE -1.38 1.02 1 153 HIS -4.31 0.34 1 154 ASP 3.08 -0.36 1 156 GLN -4.13 0.34 1 158 VAL 0.32 -0.01 1 159 MET -0.32 0.07 1 160 GLN -0.01 0.01 1 161 LEU 0.11 -0.03 1 162 GLU -0.44 -0.13 1 163 HIS 0.03 -0.09 1 166 HIS 0.50 -0.43 1 167 HIS 2.42 -0.19 1 stop_ save_