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 bmr25829_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.56 _LACS_plot.Line_1_terminator_val_y_1 -2.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.16 _LACS_plot.Line_2_terminator_val_x_2 4.86 _LACS_plot.Line_2_terminator_val_y_2 3.02 _LACS_plot.Y_axis_chem_shift_offset 0.61 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 168 ILE -0.36 -3.56 0 159 HIS 3.16 4.36 0 10 GLU -0.12 -0.54 1 11 LEU 0.27 -0.33 1 12 ASP 0.21 -0.39 1 13 LYS 0.54 -0.22 1 14 ASP 0.11 -0.43 1 15 ASP 0.79 0.49 1 16 GLU 2.51 1.51 1 17 SER 3.92 2.29 1 18 LEU 2.30 1.05 1 19 ARG 3.61 2.20 1 20 LYS 2.90 1.50 1 21 TYR 2.26 1.13 1 22 LYS 2.76 1.64 1 23 GLU 1.83 1.05 1 24 ALA 1.77 0.47 1 25 LEU 1.31 0.41 1 26 LEU 0.99 0.05 1 28 ARG 0.23 -0.50 1 29 VAL 0.07 -0.66 1 30 ALA -0.26 -0.69 1 31 VAL 0.16 -0.59 1 32 SER -0.15 -0.72 1 33 ALA -0.67 -1.04 1 34 ASP -0.85 -0.88 1 36 ASN 0.30 -0.30 1 37 VAL -0.17 -0.72 1 39 ASN 2.87 2.88 1 40 VAL -2.40 -2.70 1 41 VAL -3.69 -2.29 1 42 VAL 2.70 -0.40 1 43 THR 1.20 -0.30 1 45 LEU -4.33 -1.53 1 46 THR -2.89 -1.31 1 47 LEU 0.16 -1.44 1 48 VAL 1.17 -0.62 1 50 SER 3.83 2.53 1 51 SER -0.52 -0.97 1 52 ALA -0.65 -1.34 1 56 LEU -1.20 -2.30 1 57 GLU -5.90 -2.40 1 58 LEU -3.33 -2.23 1 60 LEU 2.60 -0.90 1 61 THR -1.82 -0.02 1 63 ASP -0.04 -1.04 1 64 LEU 1.76 0.52 1 65 GLU 3.00 1.50 1 66 SER 3.68 2.25 1 67 PHE 2.01 -0.89 1 68 LYS 3.20 2.10 1 69 LYS -0.33 -1.29 1 70 GLN -4.40 -2.00 1 73 VAL -0.44 -0.94 1 74 LEU -5.60 -2.70 1 75 LYS -0.85 -1.95 1 76 GLU 0.02 -0.88 1 78 VAL -0.37 -0.93 1 79 GLU -2.50 -1.70 1 80 TYR -3.79 -2.19 1 81 ARG -6.08 -2.68 1 82 ILE -0.20 -0.80 1 83 LYS -5.41 -3.41 1 84 ILE -3.37 -3.17 1 85 SER -3.10 -2.40 1 86 PHE -2.90 -2.50 1 87 ARG -5.46 -2.66 1 88 VAL -0.90 -1.30 1 89 ASN 0.30 2.20 1 90 ARG -1.20 1.80 1 91 GLU -5.31 -2.53 1 92 ILE 0.97 0.77 1 93 VAL -3.05 -2.25 1 94 SER -2.42 -2.12 1 96 MET 1.20 0.90 1 97 LYS -4.59 -1.51 1 98 TYR -4.80 -3.20 1 99 ILE -3.70 -2.10 1 100 GLN -4.96 -1.71 1 101 HIS -6.16 -1.16 1 102 THR 1.02 0.50 1 103 TYR -4.53 -2.13 1 104 ARG -3.36 -1.36 1 105 LYS 4.11 0.61 1 107 VAL -2.51 -1.81 1 108 LYS 2.66 0.36 1 109 ILE -0.67 -0.77 1 110 ASP -3.40 -0.40 1 111 LYS -2.12 -0.98 1 112 THR -2.15 -0.85 1 113 ASP -3.62 -2.45 1 114 TYR -3.61 -1.86 1 115 MET 1.18 -0.52 1 116 VAL 2.51 0.80 1 118 SER -1.65 -1.80 1 119 TYR -5.28 -0.68 1 122 ARG -1.36 -0.56 1 123 ALA 2.91 1.81 1 124 GLU 0.69 -0.51 1 125 GLU 0.31 -0.09 1 126 TYR -3.00 -1.50 1 127 GLU -5.48 -2.88 1 128 PHE -4.02 -1.75 1 129 LEU -4.28 -2.68 1 130 THR 2.80 0.40 1 132 VAL 2.69 1.09 1 133 GLU -5.49 -3.43 1 134 GLU -4.24 -2.86 1 135 ALA 1.10 -0.60 1 137 LYS -4.54 -1.58 1 139 MET 4.12 3.29 1 140 LEU 2.38 0.48 1 141 ALA -2.08 -1.25 1 142 ARG 1.58 1.08 1 144 SER 0.36 0.56 1 145 TYR -2.40 -0.85 1 146 SER -2.48 -1.70 1 147 ILE -0.24 -2.04 1 148 LYS -1.42 -1.32 1 149 SER -1.20 0.30 1 150 ARG -3.90 -1.08 1 151 PHE -4.60 -1.70 1 152 THR -4.40 -3.90 1 153 ASP -2.23 -1.23 1 154 ASP 2.87 2.37 1 155 ASP 0.67 -0.13 1 156 LYS 4.87 0.37 1 157 THR 3.42 1.12 1 158 ASP -0.07 -2.60 1 160 LEU 0.29 1.79 1 161 SER -1.66 -0.61 1 162 TRP -2.61 -0.59 1 163 GLU -5.57 -2.57 1 164 TRP -1.92 -3.02 1 165 ASN -3.97 -0.70 1 166 LEU -6.56 -2.05 1 167 THR -0.72 -0.52 1 169 LYS -5.84 -2.41 1 170 LYS 3.28 2.32 1 171 ASP -5.97 -2.97 1 172 TRP 0.78 0.97 1 173 LYS -2.27 -1.85 1 174 ASP 0.98 1.53 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25829_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.56 _LACS_plot.Line_1_terminator_val_y_1 3.61 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.85 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.16 _LACS_plot.Line_2_terminator_val_x_2 4.86 _LACS_plot.Line_2_terminator_val_y_2 -1.84 _LACS_plot.Y_axis_chem_shift_offset 0.61 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 168 ILE -0.36 -3.20 0 159 HIS 3.16 1.20 0 10 GLU -0.12 -0.42 1 11 LEU 0.27 -0.60 1 12 ASP 0.21 -0.60 1 13 LYS 0.54 -0.76 1 14 ASP 0.11 -0.54 1 15 ASP 0.79 -0.30 1 16 GLU 2.51 -1.00 1 17 SER 3.92 -1.63 1 18 LEU 2.30 -1.25 1 19 ARG 3.61 -1.41 1 20 LYS 2.90 -1.40 1 21 TYR 2.26 -1.13 1 22 LYS 2.76 -1.12 1 23 GLU 1.83 -0.78 1 24 ALA 1.77 -1.30 1 25 LEU 1.31 -0.90 1 26 LEU 0.99 -0.94 1 28 ARG 0.23 -0.73 1 29 VAL 0.07 -0.73 1 30 ALA -0.26 -0.43 1 31 VAL 0.16 -0.75 1 32 SER -0.15 -0.57 1 33 ALA -0.67 -0.37 1 34 ASP -0.85 -0.03 1 36 ASN 0.30 -0.60 1 37 VAL -0.17 -0.55 1 39 ASN 2.87 0.01 1 40 VAL -2.40 -0.30 1 41 VAL -3.69 1.40 1 42 VAL 2.70 -3.10 1 43 THR 1.20 -1.50 1 45 LEU -4.33 2.80 1 46 THR -2.89 1.58 1 47 LEU 0.16 -1.60 1 48 VAL 1.17 -1.79 1 50 SER 3.83 -1.30 1 51 SER -0.52 -0.45 1 52 ALA -0.65 -0.69 1 56 LEU -1.20 -1.10 1 57 GLU -5.90 3.50 1 58 LEU -3.33 1.10 1 60 LEU 2.60 -3.50 1 61 THR -1.82 1.80 1 63 ASP -0.04 -1.00 1 64 LEU 1.76 -1.24 1 65 GLU 3.00 -1.50 1 66 SER 3.68 -1.43 1 67 PHE 2.01 -2.90 1 68 LYS 3.20 -1.10 1 69 LYS -0.33 -0.96 1 70 GLN -4.40 2.40 1 73 VAL -0.44 -0.50 1 74 LEU -5.60 2.90 1 75 LYS -0.85 -1.10 1 76 GLU 0.02 -0.90 1 78 VAL -0.37 -0.56 1 79 GLU -2.50 0.80 1 80 TYR -3.79 1.60 1 81 ARG -6.08 3.40 1 82 ILE -0.20 -0.60 1 83 LYS -5.41 2.00 1 84 ILE -3.37 0.20 1 85 SER -3.10 0.70 1 86 PHE -2.90 0.40 1 87 ARG -5.46 2.80 1 88 VAL -0.90 -0.40 1 89 ASN 0.30 1.90 1 90 ARG -1.20 3.00 1 91 GLU -5.31 2.78 1 92 ILE 0.97 -0.20 1 93 VAL -3.05 0.80 1 94 SER -2.42 0.30 1 96 MET 1.20 -0.30 1 97 LYS -4.59 3.08 1 98 TYR -4.80 1.60 1 99 ILE -3.70 1.60 1 100 GLN -4.96 3.25 1 101 HIS -6.16 5.00 1 102 THR 1.02 -0.52 1 103 TYR -4.53 2.40 1 104 ARG -3.36 2.00 1 105 LYS 4.11 -3.50 1 107 VAL -2.51 0.70 1 108 LYS 2.66 -2.30 1 109 ILE -0.67 -0.10 1 110 ASP -3.40 3.00 1 111 LYS -2.12 1.14 1 112 THR -2.15 1.30 1 113 ASP -3.62 1.17 1 114 TYR -3.61 1.75 1 115 MET 1.18 -1.70 1 116 VAL 2.51 -1.71 1 118 SER -1.65 -0.15 1 119 TYR -5.28 4.60 1 122 ARG -1.36 0.80 1 123 ALA 2.91 -1.10 1 124 GLU 0.69 -1.20 1 125 GLU 0.31 -0.40 1 126 TYR -3.00 1.50 1 127 GLU -5.48 2.60 1 128 PHE -4.02 2.27 1 129 LEU -4.28 1.60 1 130 THR 2.80 -2.40 1 132 VAL 2.69 -1.60 1 133 GLU -5.49 2.06 1 134 GLU -4.24 1.38 1 135 ALA 1.10 -1.70 1 137 LYS -4.54 2.96 1 139 MET 4.12 -0.83 1 140 LEU 2.38 -1.90 1 141 ALA -2.08 0.83 1 142 ARG 1.58 -0.50 1 144 SER 0.36 0.20 1 145 TYR -2.40 1.55 1 146 SER -2.48 0.78 1 147 ILE -0.24 -1.80 1 148 LYS -1.42 0.10 1 149 SER -1.20 1.50 1 150 ARG -3.90 2.82 1 151 PHE -4.60 2.90 1 152 THR -4.40 0.50 1 153 ASP -2.23 1.00 1 154 ASP 2.87 -0.50 1 155 ASP 0.67 -0.80 1 156 LYS 4.87 -4.50 1 157 THR 3.42 -2.30 1 158 ASP -0.07 -2.53 1 160 LEU 0.29 1.50 1 161 SER -1.66 1.05 1 162 TRP -2.61 2.02 1 163 GLU -5.57 3.00 1 164 TRP -1.92 -1.10 1 165 ASN -3.97 3.27 1 166 LEU -6.56 4.51 1 167 THR -0.72 0.20 1 169 LYS -5.84 3.43 1 170 LYS 3.28 -0.96 1 171 ASP -5.97 3.00 1 172 TRP 0.78 0.19 1 173 LYS -2.27 0.42 1 174 ASP 0.98 0.55 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25829_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.56 _LACS_plot.Line_1_terminator_val_y_1 0.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _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 4.86 _LACS_plot.Line_2_terminator_val_y_2 -0.56 _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 52 ALA -0.65 -1.91 0 10 GLU -0.12 -0.14 1 11 LEU 0.27 -0.08 1 12 ASP 0.21 -0.11 1 13 LYS 0.54 -0.09 1 14 ASP 0.11 -0.11 1 15 ASP 0.79 -0.17 1 16 GLU 2.51 -0.27 1 17 SER 3.92 -0.30 1 18 LEU 2.30 -0.08 1 19 ARG 3.61 -0.29 1 20 LYS 2.90 -0.27 1 21 TYR 2.26 -0.17 1 22 LYS 2.76 -0.36 1 23 GLU 1.83 -0.34 1 24 ALA 1.77 -0.14 1 25 LEU 1.31 -0.23 1 26 LEU 0.99 -0.13 1 28 ARG 0.23 -0.02 1 29 VAL 0.07 -0.06 1 30 ALA -0.26 0.00 1 31 VAL 0.16 -0.02 1 32 SER -0.15 -0.09 1 33 ALA -0.67 -0.03 1 34 ASP -0.85 -0.18 1 36 ASN 0.30 -0.09 1 37 VAL -0.17 -0.03 1 39 ASN 2.87 -0.23 1 40 VAL -2.40 0.94 1 41 VAL -3.69 0.14 1 42 VAL 2.70 -0.27 1 43 THR 1.20 -0.18 1 45 LEU -4.33 0.81 1 46 THR -2.89 0.65 1 47 LEU 0.16 0.57 1 48 VAL 1.17 -0.25 1 50 SER 3.83 -0.24 1 51 SER -0.52 0.00 1 56 LEU -1.20 0.09 1 57 GLU -5.90 0.76 1 58 LEU -3.33 0.09 1 61 THR -1.82 0.07 1 63 ASP -0.04 -0.20 1 64 LEU 1.76 -0.62 1 65 GLU 3.00 -0.36 1 66 SER 3.68 -0.40 1 67 PHE 2.01 0.01 1 68 LYS 3.20 -0.28 1 69 LYS -0.33 0.12 1 70 GLN -4.40 0.37 1 73 VAL -0.44 0.82 1 74 LEU -5.60 0.34 1 75 LYS -0.85 -0.88 1 76 GLU 0.02 -0.46 1 78 VAL -0.37 0.14 1 79 GLU -2.50 0.82 1 80 TYR -3.79 0.87 1 81 ARG -6.08 0.11 1 82 ILE -0.20 0.39 1 83 LYS -5.41 1.20 1 84 ILE -3.37 0.77 1 85 SER -3.10 1.09 1 86 PHE -2.90 0.67 1 87 ARG -5.46 0.55 1 88 VAL -0.90 0.55 1 89 ASN 0.30 0.11 1 90 ARG -1.20 0.29 1 91 GLU -5.31 0.38 1 92 ILE 0.97 0.09 1 93 VAL -3.05 0.32 1 94 SER -2.42 0.31 1 96 MET 1.20 0.07 1 97 LYS -4.59 0.48 1 98 TYR -4.80 0.89 1 99 ILE -3.70 0.27 1 100 GLN -4.96 0.70 1 101 HIS -6.16 0.54 1 102 THR 1.02 0.53 1 103 TYR -4.53 0.72 1 104 ARG -3.36 0.13 1 105 LYS 4.11 -0.52 1 107 VAL -2.51 0.14 1 108 LYS 2.66 -0.72 1 109 ILE -0.67 0.24 1 110 ASP -3.40 0.08 1 111 LYS -2.12 0.52 1 112 THR -2.15 -0.04 1 113 ASP -3.62 0.34 1 114 TYR -3.61 0.29 1 115 MET 1.18 -0.07 1 116 VAL 2.51 -0.45 1 118 SER -1.65 0.93 1 119 TYR -5.28 -0.08 1 122 ARG -1.36 0.16 1 123 ALA 2.91 -0.24 1 124 GLU 0.69 -0.23 1 125 GLU 0.31 -0.58 1 126 TYR -3.00 -0.20 1 127 GLU -5.48 0.75 1 128 PHE -4.02 0.32 1 129 LEU -4.28 0.85 1 130 THR 2.80 -0.79 1 132 VAL 2.69 -0.42 1 133 GLU -5.49 0.15 1 134 GLU -4.24 0.51 1 135 ALA 1.10 -0.05 1 137 LYS -4.54 0.33 1 139 MET 4.12 -0.69 1 140 LEU 2.38 -0.18 1 141 ALA -2.08 -0.12 1 142 ARG 1.58 -0.40 1 144 SER 0.36 0.72 1 145 TYR -2.40 0.34 1 146 SER -2.48 0.74 1 147 ILE -0.24 0.63 1 148 LYS -1.42 0.53 1 149 SER -1.20 0.58 1 150 ARG -3.90 0.90 1 151 PHE -4.60 1.16 1 152 THR -4.40 1.15 1 153 ASP -2.23 0.53 1 154 ASP 2.87 -0.15 1 155 ASP 0.67 0.07 1 156 LYS 4.87 -0.42 1 157 THR 3.42 -0.64 1 158 ASP -0.07 0.29 1 159 HIS 3.16 -0.17 1 160 LEU 0.29 0.17 1 161 SER -1.66 1.21 1 162 TRP -2.61 0.63 1 163 GLU -5.57 1.42 1 164 TRP -1.92 0.32 1 165 ASN -3.97 0.93 1 166 LEU -6.56 0.89 1 167 THR -0.72 0.61 1 168 ILE -0.36 0.81 1 169 LYS -5.84 0.39 1 170 LYS 3.28 -0.56 1 171 ASP -5.97 -0.23 1 172 TRP 0.78 -0.60 1 173 LYS -2.27 0.20 1 174 ASP 0.98 -0.32 1 stop_ save_