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 bmr15924_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.51 _LACS_plot.Line_1_terminator_val_y_1 -3.16 _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 -0.67 _LACS_plot.Line_2_terminator_val_x_2 6.23 _LACS_plot.Line_2_terminator_val_y_2 2.88 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 174 HIS 0.69 3.89 0 82 HIS 0.40 3.82 0 109 HIS -6.13 1.13 0 10 VAL -0.33 -0.06 1 12 VAL 0.42 0.27 1 13 ASN 0.28 0.38 1 15 LEU -0.33 -0.05 1 16 ASP -0.31 -0.26 1 17 VAL 1.61 0.68 1 18 THR 0.67 0.59 1 19 SER 0.61 0.80 1 20 LEU -1.62 -1.01 1 21 ARG 0.21 0.89 1 23 PHE -2.79 -0.20 1 24 ASP -4.93 -1.33 1 25 LEU -5.42 -0.24 1 26 VAL -0.09 -0.53 1 27 ILE -4.44 -1.27 1 29 PHE 0.91 2.71 1 30 THR 0.15 -0.33 1 31 ILE 0.95 0.70 1 32 LYS 1.49 0.37 1 33 LYS 0.18 0.11 1 35 GLU -3.95 -1.44 1 36 ILE -4.45 -2.24 1 37 THR -4.51 -1.87 1 39 GLU -4.70 0.34 1 40 VAL -2.90 -1.63 1 41 ARG -1.72 -0.68 1 42 MET 0.04 0.42 1 44 SER 2.68 1.64 1 46 LYS 0.91 1.26 1 47 VAL -4.29 -2.15 1 48 ALA -6.70 -1.69 1 49 GLN -1.81 -0.18 1 51 THR 0.64 0.90 1 52 ILE -1.10 -0.23 1 53 THR -2.33 -0.72 1 54 ASP -0.63 -0.29 1 55 ASN 1.66 1.32 1 56 LYS 6.23 1.82 1 57 ASP -1.87 -1.80 1 59 THR -5.63 -1.54 1 60 VAL -4.96 -2.77 1 61 THR -0.63 0.13 1 62 VAL -2.47 -1.62 1 63 ARG -4.75 -1.24 1 64 TYR -3.80 -0.21 1 65 ALA -2.78 -2.56 1 67 SER -1.96 -0.98 1 68 GLU -5.90 -1.82 1 69 ALA -1.99 -1.43 1 71 LEU 1.93 1.56 1 72 HIS -2.88 -0.46 1 73 GLU -6.36 -2.22 1 74 MET -7.21 -1.54 1 75 ASP -3.82 -1.43 1 76 ILE -1.05 -0.38 1 77 ARG -5.88 -2.22 1 78 TYR -4.92 -1.99 1 79 ASP 3.53 1.61 1 80 ASN 2.48 2.05 1 81 MET -3.31 -1.55 1 83 ILE 4.80 2.03 1 86 SER -0.53 -0.77 1 88 LEU -4.42 -1.26 1 89 GLN -4.53 -1.09 1 90 PHE -3.35 -1.54 1 91 TYR -1.77 0.30 1 92 VAL -0.33 0.38 1 93 ASP -8.51 -3.52 1 94 TYR 0.15 1.08 1 95 VAL 3.35 2.72 1 96 ASN 0.29 -0.45 1 99 HIS -3.74 -1.16 1 100 VAL 3.15 1.77 1 101 THR -4.91 -2.31 1 102 ALA -6.03 -2.00 1 103 TYR -2.15 -1.60 1 107 LEU 1.37 0.49 1 108 THR -0.16 2.75 1 111 VAL -4.24 -2.01 1 112 VAL 1.99 1.35 1 113 ASN 3.93 2.36 1 114 LYS -2.58 -1.16 1 116 ALA -2.21 -1.88 1 117 THR -3.84 -1.44 1 118 PHE -1.03 -0.64 1 119 THR -1.65 0.25 1 120 VAL -2.22 -1.06 1 121 ASN -1.50 -0.63 1 122 THR 0.62 -0.74 1 123 LYS 3.68 2.45 1 124 ASP 1.10 0.73 1 125 ALA -0.75 0.35 1 127 GLU 0.15 0.68 1 130 LEU -2.67 -0.57 1 131 SER -2.59 -1.01 1 132 LEU -6.63 -2.05 1 133 ALA -3.91 -0.36 1 134 ILE -3.64 -1.23 1 135 GLU -4.86 -2.29 1 138 SER -4.74 -1.87 1 139 LYS 1.67 0.44 1 140 ALA -3.04 -1.42 1 141 GLU -0.16 0.39 1 142 ILE -3.06 -0.37 1 143 SER -2.68 -1.31 1 145 THR -2.17 -0.41 1 146 ASP -0.05 0.11 1 147 ASN 1.09 1.18 1 148 GLN 5.26 2.14 1 149 ASP -1.55 -1.54 1 151 THR -5.38 -1.76 1 153 SER -0.61 -0.28 1 154 VAL -1.43 -1.62 1 155 SER -4.82 -2.31 1 156 TYR -6.32 -2.78 1 157 LEU -4.25 -2.62 1 159 VAL 0.05 -0.42 1 160 LEU -5.34 -1.13 1 163 ASP -0.53 -0.57 1 164 TYR -2.49 -0.95 1 165 SER -2.48 -1.79 1 166 ILE -0.50 -0.02 1 167 LEU 0.75 0.82 1 168 VAL -1.50 -0.78 1 169 LYS -5.84 -2.25 1 170 TYR -4.17 -0.87 1 171 ASN 3.29 1.41 1 172 GLU 4.07 1.31 1 173 GLN -3.61 -1.93 1 175 VAL 3.38 0.22 1 178 SER -0.79 -1.81 1 180 PHE -1.92 -0.40 1 181 THR 0.32 0.87 1 182 ALA -5.04 -2.42 1 183 ARG -0.61 -0.88 1 184 VAL -1.10 -1.82 1 185 THR -2.51 -1.48 1 187 ASP -0.70 -0.29 1 188 ASP 0.23 1.67 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15924_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.51 _LACS_plot.Line_1_terminator_val_y_1 5.35 _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 1.33 _LACS_plot.Line_2_terminator_val_x_2 6.23 _LACS_plot.Line_2_terminator_val_y_2 -3.35 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 174 HIS 0.69 3.20 0 82 HIS 0.40 3.42 0 109 HIS -6.13 7.26 0 10 VAL -0.33 0.27 1 12 VAL 0.42 -0.15 1 13 ASN 0.28 0.10 1 15 LEU -0.33 0.28 1 16 ASP -0.31 0.05 1 17 VAL 1.61 -0.93 1 18 THR 0.67 -0.08 1 19 SER 0.61 0.19 1 20 LEU -1.62 0.61 1 21 ARG 0.21 0.68 1 23 PHE -2.79 2.59 1 24 ASP -4.93 3.60 1 25 LEU -5.42 5.18 1 26 VAL -0.09 -0.44 1 27 ILE -4.44 3.17 1 29 PHE 0.91 1.80 1 30 THR 0.15 -0.48 1 31 ILE 0.95 -0.25 1 32 LYS 1.49 -1.12 1 33 LYS 0.18 -0.07 1 35 GLU -3.95 2.51 1 36 ILE -4.45 2.21 1 37 THR -4.51 2.64 1 39 GLU -4.70 5.04 1 40 VAL -2.90 1.27 1 41 ARG -1.72 1.04 1 42 MET 0.04 0.38 1 44 SER 2.68 -1.04 1 46 LYS 0.91 0.35 1 47 VAL -4.29 2.14 1 48 ALA -6.70 5.01 1 49 GLN -1.81 1.63 1 51 THR 0.64 0.26 1 52 ILE -1.10 0.87 1 53 THR -2.33 1.61 1 54 ASP -0.63 0.34 1 55 ASN 1.66 -0.34 1 56 LYS 6.23 -4.41 1 57 ASP -1.87 0.07 1 59 THR -5.63 4.09 1 60 VAL -4.96 2.19 1 61 THR -0.63 0.76 1 62 VAL -2.47 0.85 1 63 ARG -4.75 3.51 1 64 TYR -3.80 3.59 1 65 ALA -2.78 0.22 1 67 SER -1.96 0.98 1 68 GLU -5.90 4.08 1 69 ALA -1.99 0.56 1 71 LEU 1.93 -0.37 1 72 HIS -2.88 2.42 1 73 GLU -6.36 4.14 1 74 MET -7.21 5.67 1 75 ASP -3.82 2.39 1 76 ILE -1.05 0.67 1 77 ARG -5.88 3.66 1 78 TYR -4.92 2.93 1 79 ASP 3.53 -1.92 1 80 ASN 2.48 -0.43 1 81 MET -3.31 1.76 1 83 ILE 4.80 -2.77 1 86 SER -0.53 -0.24 1 88 LEU -4.42 3.16 1 89 GLN -4.53 3.44 1 90 PHE -3.35 1.81 1 91 TYR -1.77 2.07 1 92 VAL -0.33 0.71 1 93 ASP -8.51 4.99 1 94 TYR 0.15 0.93 1 95 VAL 3.35 -0.63 1 96 ASN 0.29 -0.74 1 99 HIS -3.74 2.58 1 100 VAL 3.15 -1.38 1 101 THR -4.91 2.60 1 102 ALA -6.03 4.03 1 103 TYR -2.15 0.55 1 107 LEU 1.37 -0.88 1 108 THR -0.16 2.91 1 111 VAL -4.24 2.23 1 112 VAL 1.99 -0.64 1 113 ASN 3.93 -1.57 1 114 LYS -2.58 1.42 1 116 ALA -2.21 0.33 1 117 THR -3.84 2.40 1 118 PHE -1.03 0.39 1 119 THR -1.65 1.90 1 120 VAL -2.22 1.16 1 121 ASN -1.50 0.87 1 122 THR 0.62 -1.36 1 123 LYS 3.68 -1.23 1 124 ASP 1.10 -0.37 1 125 ALA -0.75 1.10 1 127 GLU 0.15 0.53 1 130 LEU -2.67 2.10 1 131 SER -2.59 1.58 1 132 LEU -6.63 4.58 1 133 ALA -3.91 3.55 1 134 ILE -3.64 2.41 1 135 GLU -4.86 2.57 1 138 SER -4.74 2.87 1 139 LYS 1.67 -1.23 1 140 ALA -3.04 1.62 1 141 GLU -0.16 0.55 1 142 ILE -3.06 2.69 1 143 SER -2.68 1.37 1 145 THR -2.17 1.76 1 146 ASP -0.05 0.16 1 147 ASN 1.09 0.09 1 148 GLN 5.26 -3.12 1 149 ASP -1.55 0.01 1 151 THR -5.38 3.62 1 153 SER -0.61 0.33 1 154 VAL -1.43 -0.19 1 155 SER -4.82 2.51 1 156 TYR -6.32 3.54 1 157 LEU -4.25 1.63 1 159 VAL 0.05 -0.47 1 160 LEU -5.34 4.21 1 163 ASP -0.53 -0.04 1 164 TYR -2.49 1.54 1 165 SER -2.48 0.69 1 166 ILE -0.50 0.48 1 167 LEU 0.75 0.07 1 168 VAL -1.50 0.72 1 169 LYS -5.84 3.59 1 170 TYR -4.17 3.30 1 171 ASN 3.29 -1.88 1 172 GLU 4.07 -2.76 1 173 GLN -3.61 1.68 1 175 VAL 3.38 -3.16 1 178 SER -0.79 -1.02 1 180 PHE -1.92 1.52 1 181 THR 0.32 0.55 1 182 ALA -5.04 2.62 1 183 ARG -0.61 -0.27 1 184 VAL -1.10 -0.72 1 185 THR -2.51 1.03 1 187 ASP -0.70 0.41 1 188 ASP 0.23 1.44 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15924_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.51 _LACS_plot.Line_1_terminator_val_y_1 1.03 _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 0.32 _LACS_plot.Line_2_terminator_val_x_2 6.23 _LACS_plot.Line_2_terminator_val_y_2 -0.50 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 44 SER 2.68 1.05 0 10 VAL -0.33 0.06 1 12 VAL 0.42 0.02 1 13 ASN 0.28 -0.03 1 15 LEU -0.33 0.00 1 16 ASP -0.31 0.11 1 17 VAL 1.61 0.12 1 18 THR 0.67 0.12 1 19 SER 0.61 0.07 1 20 LEU -1.62 -0.10 1 21 ARG 0.21 -0.57 1 23 PHE -2.79 0.08 1 24 ASP -4.93 0.40 1 25 LEU -5.42 0.00 1 26 VAL -0.09 0.78 1 27 ILE -4.44 0.25 1 29 PHE 0.91 -0.47 1 30 THR 0.15 -0.24 1 31 ILE 0.95 -0.52 1 32 LYS 1.49 0.24 1 33 LYS 0.18 0.21 1 35 GLU -3.95 0.34 1 36 ILE -4.45 1.30 1 37 THR -4.51 0.35 1 39 GLU -4.70 0.36 1 40 VAL -2.90 0.66 1 41 ARG -1.72 0.44 1 42 MET 0.04 -0.69 1 46 LYS 0.91 -0.11 1 47 VAL -4.29 1.28 1 48 ALA -6.70 0.48 1 49 GLN -1.81 0.42 1 51 THR 0.64 0.22 1 52 ILE -1.10 0.74 1 53 THR -2.33 0.19 1 54 ASP -0.63 0.12 1 55 ASN 1.66 -0.04 1 56 LYS 6.23 -0.22 1 57 ASP -1.87 0.15 1 59 THR -5.63 1.04 1 60 VAL -4.96 1.00 1 61 THR -0.63 0.78 1 62 VAL -2.47 0.68 1 63 ARG -4.75 0.94 1 64 TYR -3.80 0.34 1 65 ALA -2.78 0.12 1 67 SER -1.96 0.08 1 68 GLU -5.90 0.16 1 69 ALA -1.99 -0.23 1 71 LEU 1.93 0.00 1 72 HIS -2.88 -0.14 1 73 GLU -6.36 0.79 1 74 MET -7.21 1.07 1 75 ASP -3.82 0.64 1 76 ILE -1.05 0.50 1 77 ARG -5.88 0.71 1 78 TYR -4.92 0.60 1 79 ASP 3.53 -0.51 1 80 ASN 2.48 -0.75 1 81 MET -3.31 0.34 1 82 HIS 0.40 -0.19 1 83 ILE 4.80 0.16 1 86 SER -0.53 0.05 1 88 LEU -4.42 0.57 1 89 GLN -4.53 1.17 1 90 PHE -3.35 0.47 1 91 TYR -1.77 0.24 1 92 VAL -0.33 0.26 1 93 ASP -8.51 0.38 1 94 TYR 0.15 0.06 1 95 VAL 3.35 -0.47 1 96 ASN 0.29 0.16 1 99 HIS -3.74 0.21 1 100 VAL 3.15 0.02 1 101 THR -4.91 0.87 1 102 ALA -6.03 1.37 1 103 TYR -2.15 0.47 1 107 LEU 1.37 -0.28 1 108 THR -0.16 0.69 1 109 HIS -6.13 1.12 1 111 VAL -4.24 0.62 1 112 VAL 1.99 -0.78 1 113 ASN 3.93 -0.66 1 114 LYS -2.58 0.21 1 116 ALA -2.21 0.48 1 117 THR -3.84 1.40 1 118 PHE -1.03 0.50 1 119 THR -1.65 0.75 1 120 VAL -2.22 0.69 1 121 ASN -1.50 0.44 1 122 THR 0.62 -0.11 1 123 LYS 3.68 -0.30 1 124 ASP 1.10 0.00 1 125 ALA -0.75 -0.07 1 127 GLU 0.15 -0.03 1 130 LEU -2.67 0.74 1 131 SER -2.59 0.33 1 132 LEU -6.63 1.11 1 133 ALA -3.91 0.27 1 134 ILE -3.64 1.09 1 135 GLU -4.86 0.52 1 138 SER -4.74 0.13 1 139 LYS 1.67 0.09 1 140 ALA -3.04 0.39 1 141 GLU -0.16 -0.10 1 142 ILE -3.06 0.70 1 143 SER -2.68 0.33 1 145 THR -2.17 0.16 1 146 ASP -0.05 0.20 1 147 ASN 1.09 0.06 1 148 GLN 5.26 -0.28 1 149 ASP -1.55 0.11 1 151 THR -5.38 -0.24 1 153 SER -0.61 0.40 1 154 VAL -1.43 0.49 1 155 SER -4.82 1.21 1 156 TYR -6.32 1.24 1 157 LEU -4.25 0.32 1 159 VAL 0.05 0.39 1 160 LEU -5.34 0.25 1 163 ASP -0.53 0.93 1 164 TYR -2.49 0.35 1 165 SER -2.48 1.03 1 166 ILE -0.50 0.37 1 167 LEU 0.75 0.44 1 168 VAL -1.50 0.50 1 169 LYS -5.84 0.75 1 170 TYR -4.17 0.59 1 171 ASN 3.29 -0.33 1 172 GLU 4.07 -0.84 1 173 GLN -3.61 0.41 1 174 HIS 0.69 -0.22 1 175 VAL 3.38 0.20 1 178 SER -0.79 -0.76 1 180 PHE -1.92 0.09 1 181 THR 0.32 0.74 1 182 ALA -5.04 0.20 1 183 ARG -0.61 0.66 1 184 VAL -1.10 0.75 1 185 THR -2.51 0.48 1 187 ASP -0.70 0.13 1 188 ASP 0.23 -0.25 1 stop_ save_