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 bmr26577_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.66 _LACS_plot.Line_1_terminator_val_y_1 -2.72 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.54 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.46 _LACS_plot.Line_2_terminator_val_x_2 7.58 _LACS_plot.Line_2_terminator_val_y_2 5.73 _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 82 GLN 5.43 0.71 0 106 HIS -3.69 1.43 0 143 ASP -0.15 -2.55 0 134 ALA -8.66 -2.34 0 40 ALA -8.10 -1.59 0 17 SER 1.13 1.10 1 19 VAL 4.47 3.07 1 20 GLU 3.93 3.31 1 21 GLU 3.36 2.66 1 23 PHE 2.74 1.07 1 24 LYS 4.54 4.12 1 25 THR 5.33 4.33 1 27 THR 6.19 4.35 1 28 GLN 4.13 3.44 1 30 VAL 6.18 4.74 1 31 ARG 5.00 4.86 1 32 GLN 3.50 2.74 1 33 LEU 1.98 2.83 1 34 LEU -1.03 -0.25 1 35 ARG 5.34 0.98 1 37 ASP 1.00 3.65 1 38 ARG -4.49 -0.75 1 39 VAL -3.24 -1.01 1 41 VAL -2.95 -1.33 1 42 TYR -5.06 -1.86 1 43 ARG -6.25 -1.84 1 44 PHE 1.28 1.68 1 45 ASN 1.60 0.18 1 47 ASN 0.66 -1.21 1 48 TRP 7.59 3.75 1 49 THR 0.09 2.04 1 51 GLU -5.43 -2.46 1 52 PHE 1.90 1.59 1 53 VAL -1.58 -1.42 1 54 ALA -4.73 -0.57 1 55 GLU -4.41 -1.05 1 56 SER -1.65 -1.28 1 57 VAL -5.46 -2.70 1 58 ALA -0.48 0.24 1 60 THR 2.39 1.12 1 61 TRP -5.17 -3.09 1 62 VAL 0.17 -0.11 1 63 LYS 0.87 0.81 1 64 LEU -2.70 0.24 1 65 VAL -0.63 -0.79 1 68 ASP 0.91 0.04 1 69 ILE 1.67 0.70 1 70 LYS -3.58 -1.85 1 71 THR -0.15 0.27 1 72 VAL 3.85 2.41 1 73 TRP -6.54 -2.65 1 74 GLU 0.02 0.01 1 75 ASP -3.35 -1.63 1 76 THR -0.39 -1.04 1 78 LEU 3.36 2.53 1 79 GLN 3.86 2.43 1 80 GLU 2.58 2.34 1 81 THR -0.64 -0.81 1 85 ARG 4.21 0.91 1 86 TYR 3.43 1.90 1 87 ALA 3.14 2.13 1 88 GLN 0.39 -0.65 1 90 GLU -0.54 0.55 1 91 ASN -3.16 -1.69 1 92 PHE -6.09 -0.92 1 93 VAL -0.70 0.10 1 94 VAL -1.17 -0.99 1 95 ASN 2.31 1.68 1 96 ASP -2.17 -0.91 1 97 ILE 3.82 3.58 1 98 TYR 3.01 1.87 1 99 GLN -1.41 -0.55 1 100 VAL -0.91 -0.96 1 102 HIS -3.72 -0.99 1 103 SER -0.03 0.72 1 108 GLU 4.53 4.27 1 109 ILE 4.72 4.84 1 110 LEU 4.93 3.78 1 111 GLU 2.49 2.42 1 112 GLN 6.25 3.29 1 113 PHE 1.39 0.00 1 114 GLU 4.86 1.42 1 115 VAL 1.92 2.28 1 116 LYS -1.12 0.02 1 117 ALA -4.45 0.39 1 118 TYR -3.28 -0.23 1 119 VAL -4.46 -2.40 1 120 ILE -2.84 -2.97 1 121 VAL -2.52 -2.96 1 123 VAL -0.83 -0.54 1 124 PHE -0.08 0.48 1 125 ALA -2.58 -2.26 1 127 GLU 0.43 0.34 1 128 GLN -2.48 -0.89 1 129 LEU 2.45 0.66 1 130 TRP 0.17 2.48 1 132 LEU -5.11 -1.91 1 133 LEU -2.74 -0.83 1 135 ALA -5.59 -2.17 1 136 TYR -3.60 0.14 1 138 ASN 1.58 -0.76 1 139 SER 1.48 1.17 1 141 THR 1.19 0.71 1 142 ARG -2.21 -0.05 1 144 TRP -0.17 -0.54 1 145 ASP -3.73 -0.86 1 146 GLU 3.95 3.65 1 148 GLU 2.64 2.52 1 149 VAL 5.72 4.88 1 150 THR 5.95 4.94 1 151 LEU 4.25 3.62 1 152 LEU 3.87 3.25 1 153 ALA 3.79 2.72 1 154 ARG 4.89 3.76 1 155 ILE 6.15 3.83 1 158 GLN 4.19 3.20 1 159 LEU 3.80 2.74 1 161 LEU 3.24 2.83 1 162 ALA 3.42 2.30 1 163 LEU 2.93 1.91 1 164 GLN 2.62 2.64 1 165 GLN 1.78 1.40 1 166 THR 2.39 2.37 1 167 GLU 1.96 1.63 1 168 TYR 1.85 1.44 1 169 LEU 1.45 1.07 1 170 GLN 1.43 1.06 1 171 GLN 1.26 0.97 1 172 VAL 1.24 0.86 1 173 GLN 0.94 0.76 1 175 GLN 0.13 0.25 1 176 SER -0.03 0.15 1 177 ALA -0.35 -0.12 1 178 LYS -0.07 -0.02 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26577_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.66 _LACS_plot.Line_1_terminator_val_y_1 5.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.46 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.54 _LACS_plot.Line_2_terminator_val_x_2 7.58 _LACS_plot.Line_2_terminator_val_y_2 -1.85 _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 82 GLN 5.43 -4.72 0 106 HIS -3.69 5.12 0 143 ASP -0.15 -2.40 0 134 ALA -8.66 6.32 0 40 ALA -8.10 6.51 0 17 SER 1.13 -0.03 1 19 VAL 4.47 -1.40 1 20 GLU 3.93 -0.62 1 21 GLU 3.36 -0.70 1 23 PHE 2.74 -1.67 1 24 LYS 4.54 -0.42 1 25 THR 5.33 -1.00 1 27 THR 6.19 -1.84 1 28 GLN 4.13 -0.69 1 30 VAL 6.18 -1.44 1 31 ARG 5.00 -0.14 1 32 GLN 3.50 -0.76 1 33 LEU 1.98 0.85 1 34 LEU -1.03 0.78 1 35 ARG 5.34 -4.36 1 37 ASP 1.00 2.65 1 38 ARG -4.49 3.74 1 39 VAL -3.24 2.23 1 41 VAL -2.95 1.62 1 42 TYR -5.06 3.20 1 43 ARG -6.25 4.41 1 44 PHE 1.28 0.40 1 45 ASN 1.60 -1.42 1 47 ASN 0.66 -1.87 1 48 TRP 7.59 -3.84 1 49 THR 0.09 1.95 1 51 GLU -5.43 2.97 1 52 PHE 1.90 -0.31 1 53 VAL -1.58 0.16 1 54 ALA -4.73 4.16 1 55 GLU -4.41 3.36 1 56 SER -1.65 0.37 1 57 VAL -5.46 2.76 1 58 ALA -0.48 0.72 1 60 THR 2.39 -1.27 1 61 TRP -5.17 2.08 1 62 VAL 0.17 -0.28 1 63 LYS 0.87 -0.06 1 64 LEU -2.70 2.94 1 65 VAL -0.63 -0.16 1 68 ASP 0.91 -0.87 1 69 ILE 1.67 -0.97 1 70 LYS -3.58 1.73 1 71 THR -0.15 0.42 1 72 VAL 3.85 -1.44 1 73 TRP -6.54 3.89 1 74 GLU 0.02 -0.01 1 75 ASP -3.35 1.72 1 76 THR -0.39 -0.65 1 78 LEU 3.36 -0.83 1 79 GLN 3.86 -1.43 1 80 GLU 2.58 -0.24 1 81 THR -0.64 -0.17 1 85 ARG 4.21 -3.30 1 86 TYR 3.43 -1.53 1 87 ALA 3.14 -1.01 1 88 GLN 0.39 -1.04 1 90 GLU -0.54 1.09 1 91 ASN -3.16 1.47 1 92 PHE -6.09 5.17 1 93 VAL -0.70 0.80 1 94 VAL -1.17 0.18 1 95 ASN 2.31 -0.63 1 96 ASP -2.17 1.26 1 97 ILE 3.82 -0.24 1 98 TYR 3.01 -1.14 1 99 GLN -1.41 0.86 1 100 VAL -0.91 -0.05 1 102 HIS -3.72 2.73 1 103 SER -0.03 0.75 1 108 GLU 4.53 -0.26 1 109 ILE 4.72 0.12 1 110 LEU 4.93 -1.15 1 111 GLU 2.49 -0.07 1 112 GLN 6.25 -2.96 1 113 PHE 1.39 -1.39 1 114 GLU 4.86 -3.44 1 115 VAL 1.92 0.36 1 116 LYS -1.12 1.14 1 117 ALA -4.45 4.84 1 118 TYR -3.28 3.05 1 119 VAL -4.46 2.06 1 120 ILE -2.84 -0.13 1 121 VAL -2.52 -0.44 1 123 VAL -0.83 0.29 1 124 PHE -0.08 0.56 1 125 ALA -2.58 0.32 1 127 GLU 0.43 -0.09 1 128 GLN -2.48 1.59 1 129 LEU 2.45 -1.79 1 130 TRP 0.17 2.31 1 132 LEU -5.11 3.20 1 133 LEU -2.74 1.91 1 135 ALA -5.59 3.42 1 136 TYR -3.60 3.74 1 138 ASN 1.58 -2.34 1 139 SER 1.48 -0.31 1 141 THR 1.19 -0.48 1 142 ARG -2.21 2.16 1 144 TRP -0.17 -0.37 1 145 ASP -3.73 2.87 1 146 GLU 3.95 -0.30 1 148 GLU 2.64 -0.12 1 149 VAL 5.72 -0.84 1 150 THR 5.95 -1.01 1 151 LEU 4.25 -0.63 1 152 LEU 3.87 -0.62 1 153 ALA 3.79 -1.07 1 154 ARG 4.89 -1.13 1 155 ILE 6.15 -2.32 1 158 GLN 4.19 -0.99 1 159 LEU 3.80 -1.06 1 161 LEU 3.24 -0.41 1 162 ALA 3.42 -1.12 1 163 LEU 2.93 -1.02 1 164 GLN 2.62 0.02 1 165 GLN 1.78 -0.38 1 166 THR 2.39 -0.02 1 167 GLU 1.96 -0.33 1 168 TYR 1.85 -0.41 1 169 LEU 1.45 -0.38 1 170 GLN 1.43 -0.37 1 171 GLN 1.26 -0.29 1 172 VAL 1.24 -0.38 1 173 GLN 0.94 -0.18 1 175 GLN 0.13 0.12 1 176 SER -0.03 0.18 1 177 ALA -0.35 0.23 1 178 LYS -0.07 0.05 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26577_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.66 _LACS_plot.Line_1_terminator_val_y_1 0.97 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.30 _LACS_plot.Line_2_terminator_val_x_2 7.58 _LACS_plot.Line_2_terminator_val_y_2 -0.68 _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 43 ARG -6.25 -0.58 0 20 GLU 3.93 -0.39 1 21 GLU 3.36 -0.21 1 24 LYS 4.54 -0.26 1 25 THR 5.33 -0.32 1 27 THR 6.19 -0.61 1 28 GLN 4.13 0.01 1 30 VAL 6.18 -0.58 1 32 GLN 3.50 -0.10 1 33 LEU 1.98 -0.12 1 34 LEU -1.03 -0.08 1 35 ARG 5.34 -0.12 1 37 ASP 1.00 0.43 1 38 ARG -4.49 1.09 1 39 VAL -3.24 1.31 1 40 ALA -8.10 1.25 1 41 VAL -2.95 0.72 1 42 TYR -5.06 -0.12 1 44 PHE 1.28 0.00 1 47 ASN 0.66 -0.10 1 48 TRP 7.59 -0.72 1 49 THR 0.09 0.15 1 51 GLU -5.43 -0.08 1 52 PHE 1.90 0.32 1 53 VAL -1.58 0.32 1 54 ALA -4.73 0.43 1 55 GLU -4.41 1.33 1 56 SER -1.65 0.43 1 57 VAL -5.46 0.98 1 58 ALA -0.48 0.26 1 60 THR 2.39 -0.65 1 61 TRP -5.17 0.67 1 62 VAL 0.17 0.06 1 63 LYS 0.87 -0.28 1 64 LEU -2.70 0.18 1 65 VAL -0.63 -0.08 1 68 ASP 0.91 -0.07 1 69 ILE 1.67 -0.11 1 70 LYS -3.58 0.61 1 71 THR -0.15 0.48 1 72 VAL 3.85 -0.43 1 73 TRP -6.54 0.29 1 74 GLU 0.02 -0.05 1 75 ASP -3.35 0.25 1 76 THR -0.39 0.49 1 78 LEU 3.36 -0.94 1 79 GLN 3.86 0.05 1 80 GLU 2.58 -0.44 1 81 THR -0.64 -0.23 1 85 ARG 4.21 -0.32 1 86 TYR 3.43 -0.20 1 87 ALA 3.14 -0.13 1 88 GLN 0.39 0.19 1 90 GLU -0.54 -0.11 1 91 ASN -3.16 0.75 1 92 PHE -6.09 0.61 1 93 VAL -0.70 -0.27 1 94 VAL -1.17 -0.36 1 95 ASN 2.31 0.50 1 96 ASP -2.17 0.24 1 98 TYR 3.01 -0.14 1 99 GLN -1.41 0.41 1 100 VAL -0.91 0.35 1 102 HIS -3.72 0.49 1 106 HIS -3.69 -0.44 1 108 GLU 4.53 -0.17 1 109 ILE 4.72 -0.01 1 111 GLU 2.49 -0.37 1 112 GLN 6.25 -0.62 1 113 PHE 1.39 -0.15 1 115 VAL 1.92 -0.56 1 117 ALA -4.45 0.24 1 119 VAL -4.46 0.58 1 120 ILE -2.84 0.81 1 121 VAL -2.52 1.06 1 123 VAL -0.83 0.05 1 124 PHE -0.08 0.52 1 125 ALA -2.58 0.39 1 127 GLU 0.43 -0.06 1 128 GLN -2.48 0.33 1 129 LEU 2.45 0.99 1 130 TRP 0.17 -0.29 1 132 LEU -5.11 0.75 1 133 LEU -2.74 0.66 1 134 ALA -8.66 1.06 1 135 ALA -5.59 0.77 1 136 TYR -3.60 0.87 1 139 SER 1.48 -0.07 1 141 THR 1.19 -0.38 1 142 ARG -2.21 -0.40 1 143 ASP -0.15 0.06 1 144 TRP -0.17 -0.23 1 145 ASP -3.73 0.25 1 146 GLU 3.95 -0.30 1 148 GLU 2.64 -0.31 1 149 VAL 5.72 -0.79 1 150 THR 5.95 -0.43 1 151 LEU 4.25 -0.23 1 152 LEU 3.87 -0.49 1 153 ALA 3.79 -0.18 1 154 ARG 4.89 -0.12 1 158 GLN 4.19 0.64 1 159 LEU 3.80 -0.27 1 161 LEU 3.24 -0.10 1 162 ALA 3.42 -0.19 1 163 LEU 2.93 -0.50 1 164 GLN 2.62 -0.19 1 165 GLN 1.78 -0.03 1 166 THR 2.39 -0.13 1 167 GLU 1.96 -0.15 1 168 TYR 1.85 -0.07 1 169 LEU 1.45 -0.17 1 170 GLN 1.43 -0.10 1 171 GLN 1.26 -0.03 1 172 VAL 1.24 -0.07 1 173 GLN 0.94 -0.03 1 175 GLN 0.13 0.08 1 176 SER -0.03 -0.03 1 177 ALA -0.35 0.02 1 178 LYS -0.07 0.01 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26577_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.66 _LACS_plot.Line_1_terminator_val_y_1 -3.47 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 -0.95 _LACS_plot.Line_2_terminator_val_x_2 7.58 _LACS_plot.Line_2_terminator_val_y_2 2.70 _LACS_plot.Y_axis_chem_shift_offset 0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 114 GLU 4.86 -3.00 0 82 GLN 5.43 -2.80 0 102 HIS -3.72 3.20 0 129 LEU 2.45 -4.30 0 106 HIS -3.69 3.60 0 17 SER 1.13 -0.20 1 19 VAL 4.47 -0.30 1 20 GLU 3.93 2.90 1 21 GLU 3.36 2.50 1 23 PHE 2.74 3.10 1 24 LYS 4.54 1.80 1 25 THR 5.33 2.20 1 27 THR 6.19 1.90 1 28 GLN 4.13 2.60 1 30 VAL 6.18 0.60 1 31 ARG 5.00 2.70 1 32 GLN 3.50 2.50 1 33 LEU 1.98 1.70 1 34 LEU -1.03 -0.50 1 35 ARG 5.34 0.20 1 37 ASP 1.00 -1.40 1 38 ARG -4.49 -1.80 1 39 VAL -3.24 -2.00 1 40 ALA -8.10 -3.50 1 41 VAL -2.95 -2.50 1 42 TYR -5.06 -3.20 1 43 ARG -6.25 -0.90 1 44 PHE 1.28 0.40 1 45 ASN 1.60 2.30 1 47 ASN 0.66 0.30 1 48 TRP 7.59 1.80 1 49 THR 0.09 -1.40 1 51 GLU -5.43 -2.20 1 52 PHE 1.90 0.40 1 53 VAL -1.58 -0.70 1 54 ALA -4.73 -2.60 1 55 GLU -4.41 -2.10 1 56 SER -1.65 -1.30 1 57 VAL -5.46 -3.10 1 58 ALA -0.48 0.50 1 60 THR 2.39 -0.80 1 61 TRP -5.17 0.20 1 62 VAL 0.17 0.20 1 63 LYS 0.87 -2.60 1 64 LEU -2.70 -3.20 1 65 VAL -0.63 -0.30 1 68 ASP 0.91 -1.10 1 69 ILE 1.67 -0.70 1 70 LYS -3.58 0.30 1 71 THR -0.15 2.60 1 72 VAL 3.85 -1.40 1 73 TRP -6.54 -0.30 1 74 GLU 0.02 -1.70 1 75 ASP -3.35 0.60 1 76 THR -0.39 0.90 1 78 LEU 3.36 0.20 1 79 GLN 3.86 3.30 1 80 GLU 2.58 1.60 1 81 THR -0.64 -0.80 1 85 ARG 4.21 -0.10 1 86 TYR 3.43 2.80 1 87 ALA 3.14 1.20 1 88 GLN 0.39 0.30 1 90 GLU -0.54 -2.50 1 91 ASN -3.16 0.00 1 92 PHE -6.09 -2.50 1 93 VAL -0.70 -2.10 1 94 VAL -1.17 -1.00 1 95 ASN 2.31 -0.40 1 96 ASP -2.17 2.10 1 97 ILE 3.82 -1.70 1 98 TYR 3.01 1.40 1 99 GLN -1.41 0.20 1 100 VAL -0.91 -0.60 1 108 GLU 4.53 3.50 1 109 ILE 4.72 0.20 1 110 LEU 4.93 2.30 1 111 GLU 2.49 4.50 1 112 GLN 6.25 0.50 1 113 PHE 1.39 -1.70 1 115 VAL 1.92 0.70 1 116 LYS -1.12 0.20 1 117 ALA -4.45 -1.80 1 118 TYR -3.28 -5.30 1 119 VAL -4.46 -3.10 1 120 ILE -2.84 -0.60 1 121 VAL -2.52 -1.80 1 123 VAL -0.83 -1.70 1 124 PHE -0.08 -0.50 1 125 ALA -2.58 -0.70 1 127 GLU 0.43 -0.60 1 128 GLN -2.48 -1.00 1 130 TRP 0.17 1.50 1 132 LEU -5.11 -3.10 1 133 LEU -2.74 -4.90 1 134 ALA -8.66 -3.40 1 135 ALA -5.59 -2.90 1 136 TYR -3.60 -0.30 1 138 ASN 1.58 1.20 1 139 SER 1.48 -0.10 1 141 THR 1.19 -1.30 1 142 ARG -2.21 -4.70 1 143 ASP -0.15 -0.20 1 144 TRP -0.17 0.10 1 145 ASP -3.73 1.00 1 146 GLU 3.95 2.20 1 148 GLU 2.64 1.00 1 149 VAL 5.72 1.40 1 150 THR 5.95 2.00 1 151 LEU 4.25 0.60 1 152 LEU 3.87 0.90 1 153 ALA 3.79 3.20 1 154 ARG 4.89 3.50 1 155 ILE 6.15 2.20 1 158 GLN 4.19 2.30 1 159 LEU 3.80 0.20 1 161 LEU 3.24 2.40 1 162 ALA 3.42 3.10 1 163 LEU 2.93 1.60 1 164 GLN 2.62 1.40 1 165 GLN 1.78 1.10 1 166 THR 2.39 0.70 1 167 GLU 1.96 0.80 1 168 TYR 1.85 0.70 1 169 LEU 1.45 0.40 1 170 GLN 1.43 0.80 1 171 GLN 1.26 0.80 1 172 VAL 1.24 0.40 1 173 GLN 0.94 0.80 1 175 GLN 0.13 0.20 1 176 SER -0.03 -0.50 1 177 ALA -0.35 -0.50 1 178 LYS -0.07 -0.20 1 stop_ save_