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 bmr5946_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.12 _LACS_plot.Line_1_terminator_val_y_1 -2.30 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.03 _LACS_plot.Line_2_terminator_val_x_2 3.98 _LACS_plot.Line_2_terminator_val_y_2 3.84 _LACS_plot.Y_axis_chem_shift_offset -0.54 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 92 LYS -1.11 -3.46 0 14 GLU -4.28 -1.09 1 15 LEU -5.94 -0.76 1 16 HIS -3.68 0.22 1 17 LEU -4.78 -0.18 1 18 GLU -4.44 -0.65 1 19 SER -1.18 -0.07 1 23 SER -1.38 0.15 1 25 THR 1.02 1.12 1 26 GLN -0.46 0.40 1 27 LEU -3.31 -1.06 1 28 ARG -2.45 -1.04 1 29 ASP 0.70 2.78 1 31 ALA 0.08 0.96 1 32 LYS 2.16 1.96 1 33 VAL 0.06 0.35 1 34 ALA -2.93 0.30 1 35 THR -3.13 -0.42 1 37 ARG -5.27 -1.38 1 38 ILE -6.15 -2.65 1 39 ILE -4.39 -0.89 1 41 ARG 1.71 2.54 1 42 GLU -3.12 -1.38 1 43 ALA 2.14 2.13 1 44 HIS 0.02 1.28 1 45 THR 0.07 -0.42 1 47 PHE -7.14 -0.33 1 48 HIS -6.03 -1.54 1 49 VAL -4.63 -1.40 1 50 TRP -2.06 -0.52 1 51 MET 3.99 1.32 1 52 ASN -2.46 2.41 1 53 GLU -0.22 0.66 1 54 ARG 1.69 2.36 1 55 GLN -3.31 -0.19 1 56 VAL -0.23 0.65 1 57 ASP 2.17 1.90 1 59 ARG -1.73 -1.29 1 60 ALA 1.61 3.31 1 61 GLU -1.71 -0.50 1 62 ARG -1.86 0.08 1 63 TYR -6.44 -0.33 1 64 VAL -3.17 -0.82 1 65 VAL -3.46 -1.40 1 66 GLN -3.98 -0.19 1 67 SER 0.22 0.15 1 68 LYS 3.33 3.72 1 69 ASP -0.48 -0.16 1 71 ARG 0.74 1.57 1 72 HIS -3.69 -0.08 1 73 GLU -6.44 -1.38 1 74 LEU -3.59 0.12 1 75 ARG 0.45 0.69 1 76 VAL -7.86 -3.16 1 77 ARG -5.63 -1.83 1 78 THR 2.79 3.08 1 81 ASP -1.47 -0.23 1 83 TRP -4.26 0.87 1 84 SER 2.42 1.83 1 86 VAL -1.53 0.33 1 87 LYS 1.49 1.56 1 89 GLU -3.11 -0.08 1 94 VAL -5.08 -1.03 1 95 SER -9.12 -1.72 1 96 ARG -1.33 0.11 1 99 GLN 0.91 0.97 1 100 GLU 1.49 3.32 1 101 GLU -6.03 -1.36 1 102 GLN -5.80 -2.28 1 103 VAL -3.75 -0.72 1 104 PHE -2.73 -0.72 1 105 PHE -5.47 -0.16 1 106 ASP -0.03 0.07 1 107 VAL -7.27 -1.36 1 108 MET 0.96 1.54 1 109 ALA -2.23 -1.33 1 110 ASP 1.36 0.94 1 112 ASN -6.62 0.40 1 113 GLN -1.06 -0.16 1 114 ASP -2.92 -1.77 1 115 ILE -0.53 -0.27 1 116 ALA -5.07 -1.19 1 119 GLU -2.45 -0.71 1 120 TYR -1.94 -0.05 1 121 ARG -4.89 -2.19 1 122 PHE -2.13 -1.32 1 123 SER -4.60 -1.66 1 124 VAL -5.79 -0.51 1 127 ALA -1.63 0.76 1 132 GLN -0.35 0.41 1 133 GLU -0.48 0.72 1 134 ASP 0.78 1.24 1 135 ASN 0.39 1.07 1 136 LYS 0.72 1.28 1 137 GLN -1.01 0.16 1 139 PHE -0.53 0.02 1 140 THR -0.37 0.74 1 142 SER -2.28 -1.59 1 144 THR -3.27 -0.71 1 145 THR -4.04 -1.30 1 147 THR 0.20 -0.58 1 148 THR -4.26 -0.79 1 149 LYS -5.06 -0.76 1 150 LEU 1.25 1.35 1 151 THR -1.99 -0.23 1 152 VAL -0.13 1.37 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5946_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.12 _LACS_plot.Line_1_terminator_val_y_1 6.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.91 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.97 _LACS_plot.Line_2_terminator_val_x_2 3.98 _LACS_plot.Line_2_terminator_val_y_2 -0.14 _LACS_plot.Y_axis_chem_shift_offset -0.54 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 92 LYS -1.11 -2.35 0 14 GLU -4.28 3.19 1 15 LEU -5.94 5.18 1 16 HIS -3.68 3.90 1 17 LEU -4.78 4.60 1 18 GLU -4.44 3.79 1 19 SER -1.18 1.11 1 23 SER -1.38 1.53 1 25 THR 1.02 0.10 1 26 GLN -0.46 0.86 1 27 LEU -3.31 2.25 1 28 ARG -2.45 1.41 1 29 ASP 0.70 2.08 1 31 ALA 0.08 0.88 1 32 LYS 2.16 -0.20 1 33 VAL 0.06 0.29 1 34 ALA -2.93 3.23 1 35 THR -3.13 2.71 1 37 ARG -5.27 3.89 1 38 ILE -6.15 3.50 1 39 ILE -4.39 3.50 1 41 ARG 1.71 0.83 1 42 GLU -3.12 1.74 1 43 ALA 2.14 -0.01 1 44 HIS 0.02 1.26 1 45 THR 0.07 -0.49 1 47 PHE -7.14 6.81 1 48 HIS -6.03 4.49 1 49 VAL -4.63 3.23 1 50 TRP -2.06 1.54 1 51 MET 3.99 -2.67 1 52 ASN -2.46 4.87 1 53 GLU -0.22 0.88 1 54 ARG 1.69 0.67 1 55 GLN -3.31 3.12 1 56 VAL -0.23 0.88 1 57 ASP 2.17 -0.27 1 59 ARG -1.73 0.44 1 60 ALA 1.61 1.70 1 61 GLU -1.71 1.21 1 62 ARG -1.86 1.94 1 63 TYR -6.44 6.11 1 64 VAL -3.17 2.35 1 65 VAL -3.46 2.06 1 66 GLN -3.98 3.79 1 67 SER 0.22 -0.07 1 68 LYS 3.33 0.39 1 69 ASP -0.48 0.32 1 71 ARG 0.74 0.83 1 72 HIS -3.69 3.61 1 73 GLU -6.44 5.06 1 74 LEU -3.59 3.71 1 75 ARG 0.45 0.24 1 76 VAL -7.86 4.70 1 77 ARG -5.63 3.80 1 78 THR 2.79 0.29 1 81 ASP -1.47 1.24 1 83 TRP -4.26 5.13 1 84 SER 2.42 -0.59 1 86 VAL -1.53 1.86 1 87 LYS 1.49 0.07 1 89 GLU -3.11 3.03 1 94 VAL -5.08 4.05 1 95 SER -9.12 7.40 1 96 ARG -1.33 1.44 1 99 GLN 0.91 0.06 1 100 GLU 1.49 1.83 1 101 GLU -6.03 4.67 1 102 GLN -5.80 3.52 1 103 VAL -3.75 3.03 1 104 PHE -2.73 2.01 1 105 PHE -5.47 5.31 1 106 ASP -0.03 0.10 1 107 VAL -7.27 5.91 1 108 MET 0.96 0.58 1 109 ALA -2.23 0.90 1 110 ASP 1.36 -0.42 1 112 ASN -6.62 7.02 1 113 GLN -1.06 0.90 1 114 ASP -2.92 1.15 1 115 ILE -0.53 0.26 1 116 ALA -5.07 3.88 1 119 GLU -2.45 1.74 1 120 TYR -1.94 1.89 1 121 ARG -4.89 2.70 1 122 PHE -2.13 0.81 1 123 SER -4.60 2.94 1 124 VAL -5.79 5.28 1 127 ALA -1.63 2.39 1 132 GLN -0.35 0.76 1 133 GLU -0.48 1.20 1 134 ASP 0.78 0.46 1 135 ASN 0.39 0.68 1 136 LYS 0.72 0.56 1 137 GLN -1.01 1.17 1 139 PHE -0.53 0.55 1 140 THR -0.37 1.11 1 142 SER -2.28 0.69 1 144 THR -3.27 2.56 1 145 THR -4.04 2.74 1 147 THR 0.20 -0.78 1 148 THR -4.26 3.47 1 149 LYS -5.06 4.30 1 150 LEU 1.25 0.10 1 151 THR -1.99 1.76 1 152 VAL -0.13 1.50 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5946_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.12 _LACS_plot.Line_1_terminator_val_y_1 1.12 _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 0.28 _LACS_plot.Line_2_terminator_val_x_2 3.98 _LACS_plot.Line_2_terminator_val_y_2 -0.34 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 92 LYS -1.11 1.37 0 14 GLU -4.28 0.29 1 15 LEU -5.94 0.94 1 16 HIS -3.68 0.07 1 17 LEU -4.78 0.57 1 18 GLU -4.44 0.05 1 19 SER -1.18 0.25 1 23 SER -1.38 0.17 1 25 THR 1.02 0.32 1 26 GLN -0.46 0.49 1 27 LEU -3.31 0.26 1 28 ARG -2.45 0.21 1 29 ASP 0.70 -0.77 1 31 ALA 0.08 -0.14 1 32 LYS 2.16 -0.07 1 33 VAL 0.06 -0.20 1 34 ALA -2.93 0.53 1 35 THR -3.13 0.55 1 37 ARG -5.27 0.69 1 38 ILE -6.15 1.20 1 39 ILE -4.39 0.92 1 41 ARG 1.71 0.05 1 42 GLU -3.12 0.30 1 43 ALA 2.14 -0.04 1 44 HIS 0.02 0.38 1 45 THR 0.07 -0.09 1 47 PHE -7.14 0.69 1 48 HIS -6.03 1.34 1 49 VAL -4.63 0.52 1 50 TRP -2.06 0.15 1 51 MET 3.99 -0.12 1 52 ASN -2.46 0.18 1 53 GLU -0.22 0.12 1 54 ARG 1.69 -0.05 1 55 GLN -3.31 0.30 1 56 VAL -0.23 -0.10 1 57 ASP 2.17 -0.30 1 59 ARG -1.73 0.19 1 60 ALA 1.61 -0.21 1 61 GLU -1.71 0.31 1 62 ARG -1.86 0.57 1 63 TYR -6.44 1.03 1 64 VAL -3.17 0.78 1 65 VAL -3.46 0.36 1 66 GLN -3.98 1.06 1 67 SER 0.22 -0.54 1 68 LYS 3.33 -0.30 1 69 ASP -0.48 -0.14 1 71 ARG 0.74 -0.25 1 72 HIS -3.69 0.44 1 73 GLU -6.44 1.05 1 74 LEU -3.59 0.12 1 75 ARG 0.45 0.88 1 76 VAL -7.86 1.34 1 77 ARG -5.63 1.12 1 78 THR 2.79 -0.11 1 81 ASP -1.47 0.29 1 83 TRP -4.26 0.17 1 84 SER 2.42 -0.23 1 86 VAL -1.53 0.06 1 87 LYS 1.49 -0.18 1 89 GLU -3.11 0.48 1 94 VAL -5.08 1.58 1 95 SER -9.12 0.56 1 96 ARG -1.33 -0.49 1 99 GLN 0.91 0.01 1 100 GLU 1.49 0.00 1 101 GLU -6.03 1.29 1 102 GLN -5.80 0.33 1 103 VAL -3.75 0.98 1 104 PHE -2.73 0.26 1 105 PHE -5.47 0.78 1 106 ASP -0.03 0.27 1 107 VAL -7.27 0.89 1 108 MET 0.96 -0.20 1 109 ALA -2.23 0.28 1 110 ASP 1.36 0.22 1 112 ASN -6.62 0.33 1 113 GLN -1.06 0.68 1 114 ASP -2.92 0.36 1 115 ILE -0.53 -0.18 1 116 ALA -5.07 0.80 1 119 GLU -2.45 -0.06 1 120 TYR -1.94 0.37 1 121 ARG -4.89 0.49 1 122 PHE -2.13 0.70 1 123 SER -4.60 0.34 1 124 VAL -5.79 0.59 1 127 ALA -1.63 -0.07 1 132 GLN -0.35 -0.02 1 133 GLU -0.48 -0.06 1 134 ASP 0.78 -0.07 1 135 ASN 0.39 -0.04 1 136 LYS 0.72 -0.07 1 137 GLN -1.01 0.04 1 139 PHE -0.37 0.13 1 142 SER -2.28 0.37 1 144 THR -3.27 0.93 1 145 THR -4.04 1.11 1 147 THR 0.20 0.20 1 148 THR -4.26 0.80 1 149 LYS -5.06 0.47 1 150 LEU 1.25 0.58 1 151 THR -1.99 0.55 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5946_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.86 _LACS_plot.Line_1_terminator_val_y_1 1.15 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.75 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.61 _LACS_plot.Line_2_terminator_val_x_2 3.32 _LACS_plot.Line_2_terminator_val_y_2 -2.11 _LACS_plot.Y_axis_chem_shift_offset 1.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 147 THR 0.20 5.50 0 14 GLU -4.28 0.24 1 15 LEU -5.94 -2.03 1 16 HIS -3.68 4.15 1 17 LEU -4.78 -1.28 1 18 GLU -4.44 -0.79 1 19 SER -1.18 1.81 1 25 THR 1.02 1.62 1 26 GLN -0.46 -0.18 1 27 LEU -3.31 -2.54 1 28 ARG -2.45 -0.70 1 29 ASP 0.70 -2.60 1 31 ALA 0.08 -5.00 1 32 LYS 2.16 -2.35 1 33 VAL 0.06 -0.40 1 34 ALA -2.93 -1.59 1 35 THR -3.13 3.59 1 37 ARG -5.27 0.75 1 38 ILE -6.15 2.39 1 39 ILE -4.39 -2.07 1 41 ARG 1.71 -2.54 1 42 GLU -3.12 -1.23 1 43 ALA 2.14 -3.65 1 44 HIS 0.02 4.81 1 45 THR 0.07 -0.13 1 47 PHE -7.14 0.49 1 48 HIS -6.03 4.46 1 49 VAL -4.63 1.88 1 50 TRP -2.06 -2.49 1 52 ASN -2.46 -1.69 1 54 ARG 1.69 -0.89 1 55 GLN -3.31 -2.16 1 56 VAL -0.23 -0.80 1 57 ASP 2.17 -1.42 1 59 ARG -1.73 -1.11 1 60 ALA 1.61 -5.68 1 61 GLU -1.71 0.46 1 62 ARG -1.86 0.29 1 63 TYR -6.44 0.15 1 64 VAL -3.17 0.71 1 65 VAL -3.46 -0.16 1 66 GLN -3.98 -1.45 1 67 SER 0.22 -0.56 1 68 LYS 3.33 -2.92 1 69 ASP -0.48 -2.31 1 71 ARG 0.74 -0.90 1 72 HIS -3.69 3.59 1 73 GLU -6.44 -0.45 1 74 LEU -3.59 -0.82 1 75 ARG 0.45 -2.69 1 76 VAL -7.86 1.06 1 77 ARG -5.63 -0.51 1 78 THR 2.79 -2.70 1 81 ASP -1.47 -2.17 1 83 TRP 2.42 -1.03 1 86 VAL -1.53 -2.74 1 87 LYS 1.49 -3.79 1 89 GLU -3.11 -1.18 1 92 LYS -1.11 -0.63 1 94 VAL -5.08 3.24 1 95 SER -1.33 -2.22 1 99 GLN 0.91 -2.22 1 100 GLU 1.49 -0.82 1 101 GLU -6.03 0.87 1 102 GLN -5.80 1.35 1 103 VAL -3.75 -0.79 1 104 PHE -2.73 3.99 1 105 PHE -5.47 -0.23 1 106 ASP -0.03 -0.71 1 107 VAL -7.27 -0.66 1 108 MET 0.96 -2.63 1 109 ALA -2.23 0.62 1 110 ASP 1.36 -0.78 1 112 ASN -6.62 2.01 1 113 GLN -1.06 -1.03 1 114 ASP -2.92 -0.22 1 115 ILE -5.07 -0.18 1 119 GLU -2.45 1.51 1 120 TYR -1.94 0.39 1 121 ARG -4.60 1.59 1 124 VAL -5.79 -2.23 1 127 ALA -1.63 -1.38 1 132 GLN -0.35 -1.70 1 133 GLU -0.48 -1.29 1 134 ASP 0.78 0.25 1 135 ASN 0.39 -2.41 1 136 LYS 0.72 -1.47 1 137 GLN -1.01 -0.18 1 139 PHE -0.37 1.64 1 142 SER -2.28 0.79 1 144 THR -3.27 2.10 1 145 THR -4.04 2.77 1 148 THR -4.26 0.33 1 149 LYS -5.06 -1.78 1 150 LEU 1.25 2.69 1 151 THR -1.99 0.11 1 stop_ save_