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 bmr5261_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.88 _LACS_plot.Line_1_terminator_val_y_1 -2.35 _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 -1.55 _LACS_plot.Line_2_terminator_val_x_2 8.51 _LACS_plot.Line_2_terminator_val_y_2 6.58 _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 76 SER -0.15 4.23 0 42 TRP -2.78 -4.59 0 10 THR -0.18 -0.18 1 11 LYS -0.41 0.59 1 12 THR -1.97 -0.92 1 13 ASN 4.15 2.80 1 14 SER 5.34 3.92 1 15 GLU 2.45 2.69 1 16 ILE 5.20 3.63 1 17 LEU 4.55 3.53 1 18 GLU 3.46 2.89 1 19 GLN 4.46 3.44 1 20 LEU 2.97 2.79 1 21 LYS 4.31 3.67 1 22 GLN 4.30 3.24 1 23 ALA 0.68 0.91 1 24 SER -0.92 0.42 1 25 ASP 2.01 2.39 1 27 LEU -1.27 -0.57 1 28 LEU -3.66 -1.94 1 29 PHE 0.75 1.46 1 30 MET 0.19 -0.09 1 31 SER 0.29 -0.58 1 32 GLU 2.92 2.12 1 33 SER -3.91 -2.15 1 34 GLU -4.00 -1.32 1 35 TYR -3.99 0.43 1 37 PHE -3.01 -0.45 1 38 GLU -4.50 -1.82 1 39 VAL -1.43 -1.09 1 40 PHE -4.57 -1.33 1 41 LEU -3.98 -0.30 1 43 GLU 2.09 2.06 1 45 SER -2.38 -0.28 1 46 ALA -2.97 -0.34 1 49 VAL 4.15 2.61 1 50 THR -5.69 -3.08 1 52 GLU 1.35 1.90 1 53 ILE -0.11 -0.60 1 54 VAL 6.21 4.56 1 55 LEU 5.92 3.64 1 56 GLN 3.78 3.02 1 57 GLN 3.34 0.87 1 58 THR -0.74 0.26 1 60 HIS -0.99 2.02 1 62 GLN 3.04 2.28 1 63 ASP 0.02 -0.71 1 64 ALA 0.15 0.29 1 66 PHE -5.02 -1.56 1 67 LYS -5.32 -1.19 1 68 VAL -1.35 -1.39 1 69 VAL -5.55 -2.72 1 70 ASP -2.22 -0.48 1 71 ILE 3.41 3.59 1 72 ASP 4.72 4.00 1 73 SER 4.89 3.39 1 74 PHE 3.55 3.99 1 75 PHE 2.05 2.49 1 77 ARG 4.67 3.10 1 78 ALA 1.49 0.67 1 79 THR -0.12 -0.39 1 80 THR -0.72 0.16 1 82 GLN -2.51 -2.90 1 83 ASP 3.22 2.62 1 84 TRP -0.67 -1.84 1 85 TYR -0.42 -1.91 1 86 GLU -2.41 -1.65 1 87 ASP 4.98 4.36 1 88 GLU 4.10 3.36 1 89 GLU 4.88 3.21 1 90 ASN 3.70 2.81 1 91 ALA 3.79 2.54 1 92 VAL 6.08 5.07 1 93 VAL 5.49 4.23 1 94 ALA 3.83 2.58 1 95 LYS 4.07 3.94 1 96 PHE 6.45 6.23 1 97 GLN 5.71 3.86 1 98 LYS 4.11 2.36 1 99 LEU 5.10 3.14 1 100 LEU 4.01 3.05 1 101 GLU 3.44 2.96 1 102 VAL 5.95 4.56 1 103 ILE 6.74 5.87 1 104 LYS 3.82 3.60 1 105 SER 1.90 1.89 1 106 ASN -1.32 2.15 1 107 LEU -4.18 -2.77 1 108 LYS -1.46 -0.61 1 109 ASN 2.70 2.45 1 111 GLN -5.38 -0.79 1 112 VAL 0.57 -0.62 1 113 TYR -2.38 -0.59 1 114 ARG -3.42 -1.70 1 115 LEU -2.61 -0.81 1 117 GLU -3.05 -0.01 1 118 VAL 8.51 6.34 1 119 GLU -0.93 -1.00 1 120 LEU -1.92 -0.60 1 121 ASP -2.87 0.07 1 122 VAL -2.31 -1.47 1 123 TYR -3.23 -0.73 1 124 VAL 1.25 -0.55 1 125 ILE -4.57 -1.05 1 127 GLU -4.44 -2.38 1 128 THR 1.62 -0.04 1 130 ALA 0.64 0.36 1 132 ASN -5.64 -1.40 1 133 LEU -2.18 -1.41 1 134 ALA -6.67 -2.26 1 136 ILE -6.88 -3.11 1 137 SER -6.86 -2.60 1 138 THR -0.50 -1.74 1 139 LYS -3.90 -1.58 1 140 VAL -6.14 -1.77 1 141 VAL -1.76 -0.55 1 142 GLU -3.81 -1.17 1 143 THR 1.05 1.84 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5261_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.88 _LACS_plot.Line_1_terminator_val_y_1 4.53 _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 0.45 _LACS_plot.Line_2_terminator_val_x_2 8.51 _LACS_plot.Line_2_terminator_val_y_2 -1.93 _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 76 SER -0.15 4.38 0 42 TRP -2.78 -1.81 0 10 THR -0.18 0.00 1 11 LYS -0.41 1.00 1 12 THR -1.97 1.05 1 13 ASN 4.15 -1.35 1 14 SER 5.34 -1.42 1 15 GLU 2.45 0.24 1 16 ILE 5.20 -1.57 1 17 LEU 4.55 -1.02 1 18 GLU 3.46 -0.57 1 19 GLN 4.46 -1.02 1 20 LEU 2.97 -0.18 1 21 LYS 4.31 -0.64 1 22 GLN 4.30 -1.06 1 23 ALA 0.68 0.23 1 24 SER -0.92 1.34 1 25 ASP 2.01 0.38 1 27 LEU -1.27 0.70 1 28 LEU -3.66 1.72 1 29 PHE 0.75 0.71 1 30 MET 0.19 -0.28 1 31 SER 0.29 -0.87 1 32 GLU 2.92 -0.80 1 33 SER -3.91 1.76 1 34 GLU -4.00 2.68 1 35 TYR -3.99 4.42 1 37 PHE -3.01 2.56 1 38 GLU -4.50 2.68 1 39 VAL -1.43 0.34 1 40 PHE -4.57 3.24 1 41 LEU -3.98 3.68 1 43 GLU 2.09 -0.03 1 45 SER -2.38 2.10 1 46 ALA -2.97 2.63 1 49 VAL 4.15 -1.54 1 50 THR -5.69 2.61 1 52 GLU 1.35 0.55 1 53 ILE -0.11 -0.49 1 54 VAL 6.21 -1.65 1 55 LEU 5.92 -2.28 1 56 GLN 3.78 -0.76 1 57 GLN 3.34 -2.47 1 58 THR -0.74 1.00 1 60 HIS -0.99 3.01 1 62 GLN 3.04 -0.76 1 63 ASP 0.02 -0.73 1 64 ALA 0.15 0.14 1 66 PHE -5.02 3.46 1 67 LYS -5.32 4.13 1 68 VAL -1.35 -0.04 1 69 VAL -5.55 2.83 1 70 ASP -2.22 1.74 1 71 ILE 3.41 0.18 1 72 ASP 4.72 -0.72 1 73 SER 4.89 -1.50 1 74 PHE 3.55 0.44 1 75 PHE 2.05 0.44 1 77 ARG 4.67 -1.57 1 78 ALA 1.49 -0.82 1 79 THR -0.12 -0.27 1 80 THR -0.72 0.88 1 82 GLN -2.51 -0.39 1 83 ASP 3.22 -0.60 1 84 TRP -0.67 -1.17 1 85 TYR -0.42 -1.49 1 86 GLU -2.41 0.76 1 87 ASP 4.98 -0.62 1 88 GLU 4.10 -0.74 1 89 GLU 4.88 -1.67 1 90 ASN 3.70 -0.89 1 91 ALA 3.79 -1.25 1 92 VAL 6.08 -1.01 1 93 VAL 5.49 -1.26 1 94 ALA 3.83 -1.25 1 95 LYS 4.07 -0.13 1 96 PHE 6.45 -0.22 1 97 GLN 5.71 -1.85 1 98 LYS 4.11 -1.75 1 99 LEU 5.10 -1.96 1 100 LEU 4.01 -0.96 1 101 GLU 3.44 -0.48 1 102 VAL 5.95 -1.39 1 103 ILE 6.74 -0.87 1 104 LYS 3.82 -0.22 1 105 SER 1.90 -0.01 1 106 ASN -1.32 3.47 1 107 LEU -4.18 1.41 1 108 LYS -1.46 0.85 1 109 ASN 2.70 -0.25 1 111 GLN -5.38 4.59 1 112 VAL 0.57 -1.19 1 113 TYR -2.38 1.79 1 114 ARG -3.42 1.72 1 115 LEU -2.61 1.80 1 117 GLU -3.05 3.04 1 118 VAL 8.51 -2.17 1 119 GLU -0.93 -0.07 1 120 LEU -1.92 1.32 1 121 ASP -2.87 2.94 1 122 VAL -2.31 0.84 1 123 TYR -3.23 2.50 1 124 VAL 1.25 -1.80 1 125 ILE -4.57 3.52 1 127 GLU -4.44 2.06 1 128 THR 1.62 -1.66 1 130 ALA 0.64 -0.28 1 132 ASN -5.64 4.24 1 133 LEU -2.18 0.77 1 134 ALA -6.67 4.41 1 136 ILE -6.88 3.77 1 137 SER -6.86 4.26 1 138 THR -0.50 -1.24 1 139 LYS -3.90 2.32 1 140 VAL -6.14 4.37 1 141 VAL -1.76 1.21 1 142 GLU -3.81 2.64 1 143 THR 1.05 0.79 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5261_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.88 _LACS_plot.Line_1_terminator_val_y_1 0.78 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.27 _LACS_plot.Line_2_terminator_val_x_2 8.51 _LACS_plot.Line_2_terminator_val_y_2 -0.77 _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 57 GLN 3.34 1.27 0 10 THR -0.18 0.01 1 11 LYS -0.41 0.10 1 12 THR -1.97 0.31 1 13 ASN 4.15 -0.39 1 14 SER 5.34 -0.41 1 15 GLU 2.45 -0.30 1 16 ILE 5.20 -0.68 1 17 LEU 4.55 -0.58 1 18 GLU 3.46 -0.20 1 19 GLN 4.46 -0.36 1 20 LEU 2.97 -0.62 1 21 LYS 4.31 -0.57 1 22 GLN 4.30 -0.28 1 23 ALA 0.68 -0.13 1 24 SER -0.92 -0.19 1 25 ASP 2.01 -0.09 1 27 LEU -1.27 0.19 1 28 LEU -3.66 0.41 1 29 PHE 0.75 -0.04 1 30 MET 0.19 0.23 1 31 SER 0.29 -0.04 1 32 GLU 2.92 0.11 1 33 SER -3.91 0.11 1 34 GLU -4.00 0.82 1 35 TYR -3.99 0.13 1 37 PHE -3.01 1.25 1 38 GLU -4.50 0.55 1 39 VAL -1.43 0.80 1 40 PHE -4.57 0.46 1 41 LEU -3.98 0.09 1 42 TRP -2.78 0.84 1 43 GLU 2.09 -0.28 1 45 SER -2.38 0.20 1 46 ALA -2.97 0.51 1 49 VAL 4.15 -0.45 1 50 THR -5.69 0.43 1 52 GLU 1.35 -0.56 1 53 ILE -0.11 -0.51 1 54 VAL 6.21 -1.08 1 55 LEU 5.92 -0.73 1 56 GLN 3.78 -0.49 1 58 THR -0.74 -0.13 1 60 HIS -0.99 -0.24 1 62 GLN 3.04 -0.38 1 63 ASP 0.02 -0.03 1 64 ALA 0.15 -0.01 1 66 PHE -5.02 1.00 1 67 LYS -5.32 0.07 1 68 VAL -1.35 0.62 1 69 VAL -5.55 0.48 1 70 ASP -2.22 0.25 1 71 ILE 3.41 -0.09 1 72 ASP 4.72 -0.18 1 73 SER 4.89 -0.22 1 74 PHE 3.55 -0.37 1 75 PHE 2.05 -0.26 1 76 SER -0.15 -0.37 1 77 ARG 4.67 -0.23 1 78 ALA 1.49 -0.32 1 79 THR -0.12 0.33 1 82 GLN -2.51 -0.15 1 83 ASP 3.22 -0.47 1 84 TRP -0.67 0.09 1 85 TYR -0.42 -0.22 1 86 GLU -2.41 0.31 1 87 ASP 4.98 -0.26 1 88 GLU 4.10 -0.27 1 89 GLU 4.88 -0.46 1 90 ASN 3.70 -0.04 1 91 ALA 3.79 -0.04 1 92 VAL 6.08 -0.44 1 93 VAL 5.49 0.04 1 94 ALA 3.83 -0.11 1 95 LYS 4.07 -0.27 1 96 PHE 6.45 -0.52 1 97 GLN 5.71 -0.38 1 98 LYS 4.11 -0.27 1 99 LEU 5.10 -0.59 1 100 LEU 4.01 -0.79 1 101 GLU 3.44 -0.39 1 102 VAL 5.95 -0.61 1 103 ILE 6.74 -0.23 1 104 LYS 3.82 -0.35 1 105 SER 1.90 -0.11 1 106 ASN -1.32 0.09 1 107 LEU -4.18 0.49 1 108 LYS -1.46 0.03 1 109 ASN 2.70 -0.55 1 111 GLN -5.38 0.32 1 112 VAL 0.57 0.73 1 113 TYR -2.38 0.26 1 114 ARG -3.42 0.54 1 115 LEU -2.61 0.92 1 117 GLU -3.05 0.01 1 118 VAL 8.51 -0.50 1 119 GLU -0.93 0.34 1 120 LEU -1.92 0.55 1 121 ASP -2.87 0.26 1 122 VAL -2.31 0.71 1 123 TYR -3.23 0.12 1 124 VAL 1.25 0.56 1 125 ILE -4.57 0.67 1 127 GLU -4.44 0.93 1 128 THR 1.62 0.18 1 130 ALA 0.64 -0.07 1 132 ASN -5.64 0.91 1 133 LEU -2.18 0.94 1 134 ALA -6.67 -0.19 1 136 ILE -6.88 1.52 1 137 SER -6.86 1.26 1 138 THR -0.50 0.31 1 139 LYS -3.90 0.86 1 140 VAL -6.14 0.12 1 141 VAL -1.76 0.88 1 142 GLU -3.81 0.28 1 143 THR 1.05 0.36 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5261_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.88 _LACS_plot.Line_1_terminator_val_y_1 -3.01 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.85 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.89 _LACS_plot.Line_2_terminator_val_x_2 8.51 _LACS_plot.Line_2_terminator_val_y_2 3.50 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 118 VAL 8.51 -1.64 0 10 THR -0.18 -0.27 1 11 LYS -0.41 0.46 1 12 THR -1.97 0.64 1 13 ASN 4.15 2.24 1 14 SER 5.34 2.17 1 15 GLU 2.45 2.64 1 16 ILE 5.20 1.14 1 17 LEU 4.55 1.60 1 18 GLU 3.46 2.40 1 19 GLN 4.46 3.59 1 20 LEU 2.97 1.83 1 21 LYS 4.31 1.48 1 22 GLN 4.30 2.64 1 23 ALA 0.68 -0.46 1 24 SER -0.92 0.07 1 25 ASP 2.01 1.04 1 27 LEU -1.27 -1.09 1 28 LEU -3.66 -2.13 1 29 PHE 0.75 0.42 1 30 MET 0.19 -2.03 1 31 SER 0.29 0.43 1 32 GLU 2.92 0.22 1 33 SER -3.91 -2.18 1 34 GLU -4.00 1.25 1 37 PHE -3.01 1.04 1 38 GLU -4.50 -1.12 1 39 VAL -1.43 -2.00 1 40 PHE -4.57 -4.84 1 41 LEU -3.98 -2.30 1 42 TRP -2.78 0.51 1 43 GLU 2.09 0.55 1 45 SER -2.38 -2.66 1 49 VAL 4.15 -1.59 1 52 GLU 1.35 -0.48 1 53 ILE -0.11 0.60 1 54 VAL 6.21 2.82 1 55 LEU 5.92 1.11 1 56 GLN 3.78 3.01 1 57 GLN 3.34 1.22 1 58 THR -0.74 1.24 1 60 HIS -0.99 0.26 1 62 GLN 3.04 -0.24 1 63 ASP 0.02 -0.46 1 66 PHE -5.02 -2.23 1 67 LYS -5.32 -3.18 1 68 VAL -1.35 -0.28 1 69 VAL -5.55 -2.69 1 70 ASP -2.22 0.73 1 71 ILE 3.41 -0.71 1 72 ASP 4.72 3.16 1 73 SER 4.89 3.30 1 74 PHE 3.55 1.10 1 75 PHE 2.05 0.58 1 76 SER -0.15 1.85 1 77 ARG 4.67 -1.38 1 78 ALA 1.49 -0.15 1 79 THR -0.12 -0.69 1 82 GLN -2.51 1.44 1 83 ASP 3.22 -0.37 1 84 TRP -0.67 0.31 1 85 TYR -0.42 0.61 1 86 GLU -2.41 0.19 1 87 ASP 4.98 2.71 1 88 GLU 4.10 2.41 1 89 GLU 4.88 3.36 1 90 ASN 3.70 3.02 1 91 ALA 3.79 2.59 1 92 VAL 6.08 1.92 1 93 VAL 5.49 2.23 1 94 ALA 3.83 3.27 1 95 LYS 4.07 3.93 1 96 PHE 6.45 2.38 1 97 GLN 5.71 3.21 1 98 LYS 4.11 1.05 1 99 LEU 5.10 -0.31 1 100 LEU 4.01 0.31 1 101 GLU 3.44 3.04 1 102 VAL 5.95 2.92 1 103 ILE 6.74 0.26 1 104 LYS 3.82 2.08 1 105 SER 1.90 0.45 1 106 ASN -1.32 -1.77 1 107 LEU -4.18 -2.63 1 108 LYS -1.46 -0.01 1 111 GLN -5.38 -3.12 1 112 VAL 0.57 -2.63 1 113 TYR -2.38 -1.16 1 114 ARG -3.42 -1.05 1 115 LEU -2.61 -1.62 1 117 GLU -3.05 -1.07 1 119 GLU -0.93 -1.50 1 120 LEU -1.92 -0.87 1 121 ASP -2.87 -0.83 1 122 VAL -2.31 -2.84 1 123 TYR -3.23 -1.58 1 124 VAL 1.25 -1.84 1 125 ILE -4.57 -0.53 1 127 GLU -4.44 1.25 1 130 ALA 0.64 -0.20 1 132 ASN -5.64 -2.37 1 133 LEU -2.18 -3.22 1 134 ALA -6.67 -4.35 1 136 ILE -6.88 -2.51 1 137 SER -6.86 -1.30 1 138 THR -0.50 -2.04 1 139 LYS -3.90 -2.39 1 140 VAL -6.14 -2.83 1 141 VAL -1.76 -1.21 1 142 GLU -3.81 -2.18 1 stop_ save_