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 bmr25387_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.91 _LACS_plot.Line_1_terminator_val_y_1 -2.87 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.88 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.40 _LACS_plot.Line_2_terminator_val_x_2 7.08 _LACS_plot.Line_2_terminator_val_y_2 5.45 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 72 TYR -6.91 0.45 0 10 GLN 4.28 3.30 1 11 ALA 3.38 2.59 1 12 ILE 5.21 4.82 1 13 ASP 5.73 5.04 1 14 ALA 3.80 2.78 1 15 SER 4.22 3.45 1 16 VAL 7.04 5.70 1 17 ASP 5.10 3.99 1 18 ALA 3.50 2.57 1 19 THR 7.08 5.79 1 20 LEU 4.76 2.85 1 21 SER 4.87 3.73 1 22 ARG 3.82 3.34 1 23 LEU 4.78 3.80 1 24 TYR 0.69 -1.20 1 25 SER 1.88 1.98 1 26 THR 0.99 2.12 1 27 VAL -0.19 -0.99 1 28 ARG 4.12 2.96 1 30 SER 4.88 4.18 1 31 ARG 6.77 4.51 1 32 GLU 4.35 3.39 1 33 LEU 3.06 2.82 1 34 VAL 6.15 4.64 1 35 ALA 3.22 2.20 1 36 LYS 0.36 0.49 1 37 SER -0.12 1.32 1 38 ARG 0.50 -0.41 1 40 VAL -3.95 -2.03 1 41 LEU -5.07 -2.14 1 42 VAL -2.51 -1.00 1 43 PHE -0.97 -0.02 1 45 ASP -0.60 -0.06 1 46 VAL 0.04 -0.14 1 47 ILE -1.88 -1.19 1 48 GLN 0.17 0.34 1 49 ALA -0.01 0.23 1 51 LEU 0.25 0.43 1 52 ILE 0.10 0.04 1 53 ILE 0.39 0.15 1 56 GLN -1.23 -0.50 1 57 THR 0.85 0.97 1 59 ASN -1.57 -0.45 1 61 ALA -6.68 -1.50 1 62 LEU -4.35 -1.68 1 63 ARG -3.05 -2.00 1 64 VAL -2.88 -0.24 1 67 ALA -4.54 -2.24 1 68 THR 3.34 2.22 1 69 VAL -1.11 -1.60 1 71 TYR -2.07 0.10 1 73 ASN -5.99 -0.65 1 74 THR -2.43 -2.95 1 75 SER 0.26 0.60 1 76 SER -0.95 0.07 1 77 LEU -1.56 -1.19 1 78 SER -1.08 -0.47 1 79 VAL 3.94 2.95 1 81 LEU 0.38 0.79 1 82 GLN 1.06 1.06 1 83 ALA -0.05 0.27 1 85 ALA -0.03 0.20 1 86 GLN -0.26 0.21 1 87 SER 0.59 0.48 1 88 LYS -3.27 -0.64 1 89 ALA -5.49 -2.46 1 90 ILE -3.72 -1.02 1 91 VAL -3.66 -1.84 1 92 PHE -2.57 -0.75 1 93 LEU -1.86 -1.43 1 94 PHE 0.51 0.35 1 95 MET 2.23 -0.12 1 96 THR -5.34 -3.77 1 97 GLN 3.78 2.45 1 98 ASP 3.22 3.15 1 99 ALA 2.55 2.67 1 100 LEU 2.98 2.39 1 101 ASP 4.86 3.52 1 102 LYS 4.12 3.21 1 103 PHE 4.48 3.92 1 104 ARG 4.40 3.62 1 105 ASN 0.15 0.31 1 106 SER -0.46 0.63 1 107 ASP 0.46 -0.11 1 109 TRP -3.01 -0.06 1 110 ALA -3.47 -2.65 1 111 ALA 0.72 0.50 1 113 ALA -0.02 0.44 1 114 ASP -0.62 0.55 1 115 ALA -2.07 -0.20 1 116 SER 1.16 0.87 1 117 VAL -3.69 -2.48 1 118 ALA -5.37 -1.65 1 119 LEU -1.36 -0.77 1 120 VAL 1.69 1.05 1 121 LYS -4.69 -1.97 1 122 MET -0.40 -1.11 1 124 ALA 1.98 1.57 1 125 ASN 0.90 -0.43 1 127 ALA -5.86 -2.70 1 128 ILE 1.12 1.79 1 129 ASP -0.57 -0.89 1 130 THR 2.55 1.24 1 131 THR 2.88 2.44 1 132 THR -0.02 -0.42 1 133 ALA 0.47 -0.81 1 134 THR -0.18 -0.31 1 135 ALA -1.11 0.25 1 137 VAL -2.37 -1.52 1 138 GLU -5.00 -3.09 1 139 VAL -4.12 -2.10 1 140 ILE -3.77 -0.89 1 141 VAL 0.49 -0.66 1 142 LEU -5.03 -1.33 1 143 THR -3.45 -1.55 1 144 ASN 3.99 2.76 1 145 ALA -1.18 -0.60 1 147 LEU 0.30 0.16 1 148 MET -0.90 0.24 1 150 ASP 0.65 0.14 1 151 VAL -3.12 -2.04 1 152 SER -0.95 -1.26 1 153 ILE -2.37 -1.91 1 154 SER 3.32 2.12 1 156 THR 3.20 2.79 1 157 LYS -3.42 -0.81 1 158 VAL -3.80 -1.08 1 159 THR -3.73 -1.54 1 160 LYS 0.83 1.56 1 161 LEU -3.41 -1.53 1 162 LYS 2.38 -0.44 1 163 ILE -1.54 0.79 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25387_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.91 _LACS_plot.Line_1_terminator_val_y_1 4.04 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.60 _LACS_plot.Line_2_terminator_val_x_2 7.08 _LACS_plot.Line_2_terminator_val_y_2 -1.63 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 72 TYR -6.91 7.36 0 10 GLN 4.28 -0.98 1 11 ALA 3.38 -0.79 1 12 ILE 5.21 -0.39 1 13 ASP 5.73 -0.69 1 14 ALA 3.80 -1.02 1 15 SER 4.22 -0.77 1 16 VAL 7.04 -1.34 1 17 ASP 5.10 -1.11 1 18 ALA 3.50 -0.93 1 19 THR 7.08 -1.29 1 20 LEU 4.76 -1.91 1 21 SER 4.87 -1.14 1 22 ARG 3.82 -0.48 1 23 LEU 4.78 -0.98 1 24 TYR 0.69 -1.89 1 25 SER 1.88 0.10 1 26 THR 0.99 1.13 1 27 VAL -0.19 -0.80 1 28 ARG 4.12 -1.16 1 30 SER 4.88 -0.70 1 31 ARG 6.77 -2.26 1 32 GLU 4.35 -0.96 1 33 LEU 3.06 -0.24 1 34 VAL 6.15 -1.51 1 35 ALA 3.22 -1.02 1 36 LYS 0.36 0.13 1 37 SER -0.12 1.44 1 38 ARG 0.50 -0.91 1 40 VAL -3.95 1.92 1 41 LEU -5.07 2.93 1 42 VAL -2.51 1.51 1 43 PHE -0.97 0.95 1 45 ASP -0.60 0.54 1 46 VAL 0.04 -0.18 1 47 ILE -1.88 0.69 1 48 GLN 0.17 0.17 1 49 ALA -0.01 0.24 1 51 LEU 0.25 0.18 1 52 ILE 0.10 -0.06 1 53 ILE 0.39 -0.24 1 56 GLN -1.23 0.73 1 57 THR 0.85 0.12 1 59 ASN -1.57 1.12 1 61 ALA -6.68 5.18 1 62 LEU -4.35 2.67 1 63 ARG -3.05 1.05 1 64 VAL -2.88 2.64 1 67 ALA -4.54 2.30 1 68 THR 3.34 -1.12 1 69 VAL -1.11 -0.49 1 71 TYR -2.07 2.17 1 73 ASN -5.99 5.34 1 74 THR -2.43 -0.52 1 75 SER 0.26 0.34 1 76 SER -0.95 1.02 1 77 LEU -1.56 0.37 1 78 SER -1.08 0.61 1 79 VAL 3.94 -0.99 1 81 LEU 0.38 0.41 1 82 GLN 1.06 0.00 1 83 ALA -0.05 0.32 1 85 ALA -0.03 0.23 1 86 GLN -0.26 0.47 1 87 SER 0.59 -0.11 1 88 LYS -3.27 2.63 1 89 ALA -5.49 3.03 1 90 ILE -3.72 2.70 1 91 VAL -3.66 1.82 1 92 PHE -2.57 1.82 1 93 LEU -1.86 0.43 1 94 PHE 0.51 -0.16 1 95 MET 2.23 -2.35 1 96 THR -5.34 1.57 1 97 GLN 3.78 -1.33 1 98 ASP 3.22 -0.07 1 99 ALA 2.55 0.12 1 100 LEU 2.98 -0.59 1 101 ASP 4.86 -1.34 1 102 LYS 4.12 -0.91 1 103 PHE 4.48 -0.56 1 104 ARG 4.40 -0.78 1 105 ASN 0.15 0.16 1 106 SER -0.46 1.09 1 107 ASP 0.46 -0.57 1 109 TRP -3.01 2.95 1 110 ALA -3.47 0.82 1 111 ALA 0.72 -0.22 1 113 ALA -0.02 0.46 1 114 ASP -0.62 1.17 1 115 ALA -2.07 1.87 1 116 SER 1.16 -0.29 1 117 VAL -3.69 1.21 1 118 ALA -5.37 3.72 1 119 LEU -1.36 0.59 1 120 VAL 1.69 -0.64 1 121 LYS -4.69 2.72 1 122 MET -0.40 -0.71 1 124 ALA 1.98 -0.41 1 125 ASN 0.90 -1.33 1 127 ALA -5.86 3.16 1 128 ILE 1.12 0.67 1 129 ASP -0.57 -0.32 1 130 THR 2.55 -1.31 1 131 THR 2.88 -0.44 1 132 THR -0.02 -0.40 1 133 ALA 0.47 -1.28 1 134 THR -0.18 -0.13 1 135 ALA -1.11 1.36 1 137 VAL -2.37 0.85 1 138 GLU -5.00 1.91 1 139 VAL -4.12 2.02 1 140 ILE -3.77 2.88 1 141 VAL 0.49 -1.15 1 142 LEU -5.03 3.70 1 143 THR -3.45 1.90 1 144 ASN 3.99 -1.23 1 145 ALA -1.18 0.58 1 147 LEU 0.30 -0.14 1 148 MET -0.90 1.14 1 150 ASP 0.65 -0.51 1 151 VAL -3.12 1.08 1 152 SER -0.95 -0.31 1 153 ILE -2.37 0.46 1 154 SER 3.32 -1.20 1 156 THR 3.20 -0.41 1 157 LYS -3.42 2.61 1 158 VAL -3.80 2.72 1 159 THR -3.73 2.19 1 160 LYS 0.83 0.73 1 161 LEU -3.41 1.88 1 162 LYS 2.38 -2.82 1 163 ILE -1.54 2.33 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25387_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.91 _LACS_plot.Line_1_terminator_val_y_1 0.91 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 0.35 _LACS_plot.Line_2_terminator_val_x_2 7.08 _LACS_plot.Line_2_terminator_val_y_2 -0.67 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 111 ALA 0.72 -1.40 0 10 GLN 4.28 -0.13 1 11 ALA 3.38 -0.09 1 12 ILE 5.21 -0.40 1 13 ASP 5.73 -0.28 1 14 ALA 3.80 -0.03 1 15 SER 4.22 0.00 1 16 VAL 7.04 -0.65 1 17 ASP 5.10 -0.30 1 18 ALA 3.50 -0.14 1 19 THR 7.08 -0.56 1 20 LEU 4.76 -0.81 1 21 SER 4.87 -0.45 1 22 ARG 3.82 -0.23 1 23 LEU 4.78 -0.55 1 24 TYR 0.69 0.34 1 25 SER 1.88 -0.05 1 26 THR 0.99 0.16 1 27 VAL -0.19 0.30 1 28 ARG 4.12 -0.03 1 30 SER 4.88 -0.59 1 31 ARG 6.77 -0.50 1 32 GLU 4.35 -0.50 1 33 LEU 3.06 -0.23 1 34 VAL 6.15 -0.71 1 35 ALA 3.22 -0.28 1 36 LYS 0.36 0.01 1 37 SER -0.12 -0.03 1 38 ARG 0.50 0.10 1 40 VAL -3.95 1.01 1 41 LEU -5.07 0.90 1 42 VAL -2.51 0.43 1 43 PHE -0.97 0.37 1 45 ASP -0.60 0.18 1 46 VAL 0.04 0.18 1 47 ILE -1.88 0.22 1 48 GLN 0.17 0.01 1 49 ALA -0.01 -0.01 1 51 LEU 0.25 0.01 1 52 ILE 0.10 -0.01 1 53 ILE 0.39 -0.01 1 56 GLN -1.23 0.30 1 57 THR 0.85 0.12 1 59 ASN -1.57 1.21 1 61 ALA -6.68 0.95 1 62 LEU -4.35 0.68 1 63 ARG -3.05 1.01 1 64 VAL -2.88 0.19 1 67 ALA -4.54 0.40 1 68 THR 3.34 0.21 1 69 VAL -1.11 0.51 1 71 TYR -2.07 0.72 1 72 TYR -6.91 0.74 1 73 ASN -5.99 1.45 1 74 THR -2.43 0.65 1 75 SER 0.26 0.11 1 76 SER -0.95 0.12 1 77 LEU -1.56 0.24 1 78 SER -1.08 -0.11 1 79 VAL 3.94 -0.28 1 81 LEU 0.38 -0.22 1 82 GLN 1.06 -0.22 1 83 ALA -0.05 -0.03 1 85 ALA -0.03 -0.04 1 86 GLN -0.26 0.03 1 87 SER 0.59 0.11 1 88 LYS -3.27 0.57 1 89 ALA -5.49 0.84 1 90 ILE -3.72 0.80 1 91 VAL -3.66 0.87 1 92 PHE -2.57 0.25 1 93 LEU -1.86 0.48 1 94 PHE 0.51 0.06 1 95 MET 2.23 0.18 1 96 THR -5.34 0.52 1 97 GLN 3.78 -0.62 1 98 ASP 3.22 -0.24 1 99 ALA 2.55 -0.12 1 100 LEU 2.98 -0.93 1 101 ASP 4.86 -0.44 1 102 LYS 4.12 -0.32 1 103 PHE 4.48 -0.95 1 104 ARG 4.40 -0.87 1 105 ASN 0.15 -0.03 1 106 SER -0.46 0.07 1 107 ASP 0.46 0.17 1 109 TRP -3.01 0.16 1 110 ALA -3.47 0.60 1 113 ALA -0.02 0.04 1 114 ASP -0.62 -0.05 1 115 ALA -2.07 0.11 1 116 SER 1.16 0.01 1 117 VAL -3.69 0.88 1 118 ALA -5.37 0.40 1 119 LEU -1.36 0.34 1 120 VAL 1.69 -0.22 1 121 LYS -4.69 0.34 1 122 MET -0.40 0.10 1 124 ALA 1.98 -0.11 1 125 ASN 0.90 -0.08 1 127 ALA -5.86 0.54 1 128 ILE 1.12 -0.13 1 129 ASP -0.57 0.14 1 130 THR 2.55 -0.13 1 131 THR 2.88 -0.11 1 132 THR -0.02 0.06 1 133 ALA 0.47 0.26 1 134 THR -0.18 -0.03 1 135 ALA -1.11 0.06 1 137 VAL -2.37 0.82 1 138 GLU -5.00 1.03 1 139 VAL -4.12 0.90 1 140 ILE -3.77 0.03 1 141 VAL 0.49 0.57 1 142 LEU -5.03 0.56 1 143 THR -3.45 0.72 1 144 ASN 3.99 -0.30 1 145 ALA -1.18 0.17 1 147 LEU 0.30 0.43 1 148 MET -0.90 0.05 1 150 ASP 0.65 -0.11 1 151 VAL -3.12 0.18 1 152 SER -0.95 0.18 1 153 ILE -2.37 0.16 1 154 SER 3.32 -0.30 1 156 THR 3.20 -0.05 1 157 LYS -3.42 0.93 1 158 VAL -3.80 1.14 1 159 THR -3.73 0.70 1 160 LYS 0.83 -0.28 1 161 LEU -3.41 0.16 1 162 LYS 2.38 0.14 1 163 ILE -1.54 0.05 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25387_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.91 _LACS_plot.Line_1_terminator_val_y_1 -2.70 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.71 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.79 _LACS_plot.Line_2_terminator_val_x_2 7.08 _LACS_plot.Line_2_terminator_val_y_2 2.46 _LACS_plot.Y_axis_chem_shift_offset 0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 16 VAL 7.04 1.05 0 40 VAL -3.95 -4.03 0 19 THR 7.08 0.88 0 20 LEU 4.76 -1.06 0 78 SER -1.08 2.74 0 24 TYR 0.69 3.43 0 10 GLN 4.28 3.17 1 11 ALA 3.38 3.63 1 12 ILE 5.21 2.00 1 13 ASP 5.73 1.88 1 14 ALA 3.80 3.63 1 15 SER 4.22 3.48 1 17 ASP 5.10 3.03 1 18 ALA 3.50 2.88 1 21 SER 4.87 2.96 1 22 ARG 3.82 2.81 1 23 LEU 4.78 -0.01 1 25 SER 1.88 1.11 1 26 THR 0.99 -0.12 1 27 VAL -0.19 -0.58 1 28 ARG 4.12 0.31 1 30 SER 4.88 1.86 1 31 ARG 6.77 1.20 1 32 GLU 4.35 1.94 1 33 LEU 3.06 0.92 1 34 VAL 6.15 3.70 1 35 ALA 3.22 0.88 1 36 LYS 0.36 0.37 1 37 SER -0.12 -0.86 1 38 ARG 0.50 1.57 1 41 LEU -5.07 -3.65 1 42 VAL -2.51 -2.83 1 46 VAL 0.04 -1.40 1 47 ILE -1.88 -1.06 1 48 GLN 0.17 -0.64 1 49 ALA -0.01 0.01 1 51 LEU 0.25 -0.31 1 52 ILE 0.10 -0.04 1 53 ILE 0.39 0.34 1 59 ASN -1.57 1.52 1 61 ALA -6.68 -3.04 1 62 LEU -4.35 -2.85 1 63 ARG -3.05 -0.78 1 64 VAL -2.88 1.22 1 67 ALA -4.54 -1.02 1 68 THR 3.34 1.24 1 69 VAL -1.11 -0.44 1 71 TYR -2.07 -1.32 1 72 TYR -6.91 -2.69 1 73 ASN -5.99 -0.67 1 75 SER 0.26 0.21 1 76 SER -0.95 -1.37 1 79 VAL 3.94 2.35 1 81 LEU 0.38 -0.15 1 82 GLN 1.06 0.11 1 83 ALA -0.05 0.54 1 85 ALA -0.03 -0.28 1 86 GLN -0.26 -0.39 1 87 SER 0.59 -0.47 1 88 LYS -3.27 -3.26 1 89 ALA -5.49 -0.93 1 90 ILE -3.72 -2.22 1 91 VAL -3.66 -1.51 1 92 PHE -2.57 -1.71 1 93 LEU -1.86 -2.60 1 94 PHE 0.51 -0.11 1 95 MET 2.23 0.70 1 96 THR -5.34 -0.39 1 97 GLN 3.78 1.54 1 98 ASP 3.22 1.95 1 99 ALA 2.55 2.76 1 100 LEU 2.98 -0.07 1 101 ASP 4.86 2.33 1 102 LYS 4.12 3.12 1 103 PHE 4.48 2.30 1 104 ARG 4.40 0.99 1 105 ASN 0.15 -0.30 1 106 SER -0.46 -1.06 1 107 ASP 0.46 -0.50 1 109 TRP -3.01 -2.08 1 110 ALA -3.47 -1.67 1 111 ALA 0.72 0.33 1 113 ALA -0.02 -0.30 1 114 ASP -0.62 -0.53 1 115 ALA -2.07 -1.05 1 116 SER 1.16 -1.72 1 117 VAL -3.69 -1.06 1 118 ALA -5.37 -2.38 1 119 LEU -1.36 0.34 1 120 VAL 1.69 -1.93 1 121 LYS -4.69 -0.93 1 122 MET -0.40 1.39 1 124 ALA 1.98 0.42 1 125 ASN 0.90 1.19 1 127 ALA -5.86 -0.36 1 128 ILE 1.12 -0.47 1 129 ASP -0.57 0.61 1 130 THR 2.55 1.58 1 131 THR 2.88 1.11 1 132 THR -0.02 -0.16 1 133 ALA 0.47 -0.16 1 134 THR -0.18 -0.12 1 137 VAL -2.37 -1.34 1 138 GLU -5.00 -1.18 1 139 VAL -4.12 -2.85 1 140 ILE -3.77 -2.41 1 141 VAL 0.49 -2.36 1 142 LEU -5.03 -0.98 1 143 THR -3.45 0.87 1 144 ASN 3.99 0.42 1 145 ALA -1.18 -0.93 1 147 LEU 0.30 0.26 1 148 MET -0.90 -0.55 1 150 ASP 0.65 -1.67 1 151 VAL -3.12 -2.76 1 152 SER -0.95 1.08 1 153 ILE -2.37 0.45 1 154 SER 3.32 -0.14 1 156 THR 3.20 -1.54 1 157 LYS -3.42 -1.20 1 158 VAL -3.80 -0.41 1 159 THR -3.73 -1.17 1 160 LYS 0.83 -0.21 1 161 LEU -3.41 -1.36 1 162 LYS 2.38 -1.32 1 stop_ save_