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 bmr18653_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.45 _LACS_plot.Line_1_terminator_val_y_1 -3.32 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.78 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.93 _LACS_plot.Line_2_terminator_val_x_2 8.08 _LACS_plot.Line_2_terminator_val_y_2 4.93 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 71 HIS -0.35 5.30 0 10 MET -2.31 -1.09 1 11 ILE -3.66 -4.40 1 12 LEU 1.62 1.82 1 13 THR -3.83 -1.20 1 14 ALA 2.03 2.00 1 15 THR 0.00 -1.27 1 17 LEU -0.50 -0.19 1 18 VAL -4.74 -1.38 1 19 ALA 1.61 0.79 1 20 ILE 5.33 4.48 1 21 GLU 4.67 1.37 1 22 ASN -0.56 -0.33 1 23 ILE 2.48 -1.48 1 24 LYS -4.76 -2.45 1 25 ALA 2.65 0.97 1 27 ASP 0.81 0.78 1 28 LYS -3.18 -1.30 1 29 VAL -5.22 -3.57 1 30 ILE 2.15 -1.35 1 31 ALA -7.11 -1.60 1 32 THR -1.22 -0.57 1 33 ASN -0.42 -1.11 1 35 GLU 0.26 1.08 1 36 THR -1.53 -0.70 1 37 PHE 8.08 3.61 1 38 GLU -0.67 0.48 1 39 VAL -1.97 -1.01 1 40 ALA -6.08 -1.32 1 41 GLU -2.30 -0.36 1 42 LYS -8.45 -3.65 1 43 THR 1.99 2.22 1 44 VAL 2.16 0.66 1 45 LEU -0.70 1.20 1 46 GLU -5.19 -1.60 1 47 THR -2.39 -1.66 1 48 TYR -4.37 -1.11 1 49 VAL -2.08 -0.96 1 50 ARG -5.77 -2.41 1 51 GLU -5.32 -1.69 1 52 THR -2.22 -2.03 1 53 THR -0.23 -0.50 1 54 GLU -2.50 -0.69 1 55 LEU -6.02 -2.18 1 56 LEU -3.72 -2.15 1 57 HIS -3.34 -0.70 1 58 LEU -5.29 -2.15 1 59 THR 2.05 0.17 1 60 ILE -5.00 -1.41 1 63 GLU -5.22 -2.37 1 64 VAL 0.63 -0.04 1 65 ILE -3.35 -1.88 1 66 LYS -1.14 -0.25 1 67 THR -6.52 -4.75 1 68 THR -3.43 -1.75 1 69 PHE 3.47 3.78 1 70 ASP -1.36 -1.19 1 73 PHE -4.61 -1.02 1 74 TYR 2.81 2.47 1 75 VAL -1.32 -1.62 1 76 LYS 2.19 2.25 1 77 ASP 4.81 3.27 1 78 VAL 0.54 2.24 1 80 PHE 2.61 2.59 1 81 VAL -3.51 -0.30 1 82 GLU 2.42 2.02 1 83 ALA 2.14 2.58 1 85 LYS -0.55 -0.71 1 86 LEU -0.24 0.30 1 87 GLN -5.06 -3.02 1 88 VAL 5.15 3.34 1 90 ASP 1.76 1.79 1 91 LYS -1.17 -0.18 1 92 LEU -2.12 -2.10 1 93 LEU -7.86 -1.57 1 94 ASP -4.85 -2.68 1 95 SER 4.38 2.67 1 96 ARG -0.32 -0.58 1 98 ASN -0.47 -0.34 1 99 VAL -0.21 -0.16 1 100 LEU -6.37 -2.30 1 101 VAL -3.26 -1.56 1 102 VAL 3.22 1.82 1 103 GLU -0.78 0.75 1 104 GLU -3.99 -0.75 1 105 LYS -3.34 -0.62 1 106 LYS -3.99 -0.82 1 107 LEU -1.79 -0.37 1 108 GLU -4.74 -1.66 1 109 ILE -0.25 -1.97 1 110 ALA -2.93 -1.17 1 111 ASP 1.34 1.43 1 112 LYS -2.52 -1.43 1 114 VAL -3.91 -1.95 1 115 LYS 0.31 0.30 1 116 VAL -4.87 -3.24 1 117 TYR -3.55 0.79 1 118 ASN -5.57 -1.43 1 119 PHE -0.81 -0.65 1 120 LYS -4.94 -1.60 1 121 VAL -1.97 0.36 1 122 ASP 0.25 1.60 1 123 ASP 4.42 4.75 1 124 PHE -1.31 -2.55 1 125 HIS 3.81 1.72 1 126 THR -6.69 -3.51 1 127 TYR 0.96 -0.57 1 128 HIS -2.45 0.19 1 129 VAL -6.23 -2.97 1 131 ASP 4.12 3.44 1 132 ASN 0.41 0.43 1 133 GLU 2.64 -0.82 1 134 VAL 1.07 1.29 1 135 LEU 2.21 1.58 1 136 VAL -5.51 -3.29 1 137 HIS -1.83 -1.23 1 138 ASN 0.04 2.30 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18653_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.45 _LACS_plot.Line_1_terminator_val_y_1 5.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.07 _LACS_plot.Line_2_terminator_val_x_2 8.08 _LACS_plot.Line_2_terminator_val_y_2 -3.15 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 71 HIS -0.35 5.65 0 10 MET -2.31 1.22 1 11 ILE -3.66 -0.74 1 12 LEU 1.62 0.20 1 13 THR -3.83 2.63 1 14 ALA 2.03 -0.03 1 15 THR 0.00 -1.27 1 17 LEU -0.50 0.31 1 18 VAL -4.74 3.36 1 19 ALA 1.61 -0.82 1 20 ILE 5.33 -0.85 1 21 GLU 4.67 -3.30 1 22 ASN -0.56 0.23 1 23 ILE 2.48 -3.96 1 24 LYS -4.76 2.31 1 25 ALA 2.65 -1.68 1 27 ASP 0.81 -0.03 1 28 LYS -3.18 1.88 1 29 VAL -5.22 1.65 1 30 ILE 2.15 -3.50 1 31 ALA -7.11 5.51 1 32 THR -1.22 0.65 1 33 ASN -0.42 -0.69 1 35 GLU 0.26 0.82 1 36 THR -1.53 0.83 1 37 PHE 8.08 -4.47 1 38 GLU -0.67 1.15 1 39 VAL -1.97 0.96 1 40 ALA -6.08 4.76 1 41 GLU -2.30 1.94 1 42 LYS -8.45 4.80 1 43 THR 1.99 0.23 1 44 VAL 2.16 -1.50 1 45 LEU -0.70 1.90 1 46 GLU -5.19 3.59 1 47 THR -2.39 0.73 1 48 TYR -4.37 3.26 1 49 VAL -2.08 1.12 1 50 ARG -5.77 3.36 1 51 GLU -5.32 3.63 1 52 THR -2.22 0.19 1 53 THR -0.23 -0.27 1 54 GLU -2.50 1.81 1 55 LEU -6.02 3.84 1 56 LEU -3.72 1.57 1 57 HIS -3.34 2.64 1 58 LEU -5.29 3.14 1 59 THR 2.05 -1.88 1 60 ILE -5.00 3.59 1 63 GLU -5.22 2.85 1 64 VAL 0.63 -0.67 1 65 ILE -3.35 1.47 1 66 LYS -1.14 0.89 1 67 THR -6.52 1.77 1 68 THR -3.43 1.68 1 69 PHE 3.47 0.31 1 70 ASP -1.36 0.17 1 73 PHE -4.61 3.59 1 74 TYR 2.81 -0.34 1 75 VAL -1.32 -0.30 1 76 LYS 2.19 0.06 1 77 ASP 4.81 -1.54 1 78 VAL 0.54 1.70 1 80 PHE 2.61 -0.02 1 81 VAL -3.51 3.21 1 82 GLU 2.42 -0.40 1 83 ALA 2.14 0.44 1 85 LYS -0.55 -0.16 1 86 LEU -0.24 0.54 1 87 GLN -5.06 2.04 1 88 VAL 5.15 -1.81 1 90 ASP 1.76 0.03 1 91 LYS -1.17 0.99 1 92 LEU -2.12 0.02 1 93 LEU -7.86 6.29 1 94 ASP -4.85 2.17 1 95 SER 4.38 -1.71 1 96 ARG -0.32 -0.26 1 98 ASN -0.47 0.13 1 99 VAL -0.21 0.05 1 100 LEU -6.37 4.07 1 101 VAL -3.26 1.70 1 102 VAL 3.22 -1.40 1 103 GLU -0.78 1.53 1 104 GLU -3.99 3.24 1 105 LYS -3.34 2.72 1 106 LYS -3.99 3.17 1 107 LEU -1.79 1.42 1 108 GLU -4.74 3.08 1 109 ILE -0.25 -1.72 1 110 ALA -2.93 1.76 1 111 ASP 1.34 0.09 1 112 LYS -2.52 1.09 1 114 VAL -3.91 1.96 1 115 LYS 0.31 -0.01 1 116 VAL -4.87 1.63 1 117 TYR -3.55 4.34 1 118 ASN -5.57 4.14 1 119 PHE -0.81 0.16 1 120 LYS -4.94 3.34 1 121 VAL -1.97 2.33 1 122 ASP 0.25 1.35 1 123 ASP 4.42 0.33 1 124 PHE -1.31 -1.24 1 125 HIS 3.81 -2.09 1 126 THR -6.69 3.18 1 127 TYR 0.96 -1.53 1 128 HIS -2.45 2.64 1 129 VAL -6.23 3.26 1 131 ASP 4.12 -0.68 1 132 ASN 0.41 0.02 1 133 GLU 2.64 -3.46 1 134 VAL 1.07 0.22 1 135 LEU 2.21 -0.63 1 136 VAL -5.51 2.22 1 137 HIS -1.83 0.60 1 138 ASN 0.04 2.26 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18653_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.45 _LACS_plot.Line_1_terminator_val_y_1 0.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.26 _LACS_plot.Line_2_terminator_val_x_2 8.08 _LACS_plot.Line_2_terminator_val_y_2 -0.85 _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 33 ASN -0.42 -1.41 0 10 MET -2.31 0.15 1 11 ILE -3.66 0.89 1 12 LEU 1.62 -0.01 1 13 THR -3.83 0.56 1 14 ALA 2.03 -0.26 1 15 THR 0.00 0.11 1 17 LEU -0.50 0.65 1 18 VAL -4.74 -0.02 1 19 ALA 1.61 -0.12 1 20 ILE 5.33 -0.47 1 21 GLU 4.67 -0.81 1 22 ASN -0.56 -0.07 1 23 ILE 2.48 -0.36 1 24 LYS -4.76 0.22 1 25 ALA 2.65 -0.64 1 27 ASP 0.81 -0.06 1 28 LYS -3.18 0.90 1 29 VAL -5.22 0.61 1 30 ILE 2.15 0.08 1 31 ALA -7.11 0.57 1 32 THR -1.22 0.71 1 35 GLU 0.26 -0.14 1 36 THR -1.53 -0.05 1 37 PHE 8.08 -1.03 1 38 GLU -0.67 -0.13 1 39 VAL -1.97 0.97 1 40 ALA -6.08 0.38 1 41 GLU -2.30 0.58 1 42 LYS -8.45 0.45 1 43 THR 1.99 -0.03 1 44 VAL 2.16 0.20 1 45 LEU -0.70 -0.01 1 46 GLU -5.19 0.22 1 47 THR -2.39 0.38 1 48 TYR -4.37 0.48 1 49 VAL -2.08 0.56 1 50 ARG -5.77 0.37 1 51 GLU -5.32 1.06 1 52 THR -2.22 0.50 1 53 THR -0.23 0.17 1 54 GLU -2.50 0.60 1 55 LEU -6.02 0.66 1 56 LEU -3.72 0.57 1 57 HIS -3.34 0.37 1 58 LEU -5.29 0.65 1 59 THR 2.05 0.84 1 60 ILE -5.00 0.40 1 63 GLU -5.22 0.38 1 64 VAL 0.63 0.62 1 65 ILE -3.35 0.33 1 66 LYS -1.14 0.91 1 67 THR -6.52 0.75 1 68 THR -3.43 0.53 1 69 PHE 3.47 -0.85 1 70 ASP -1.36 -0.03 1 71 HIS -0.35 -1.12 1 73 PHE -4.61 0.42 1 74 TYR 2.81 -1.01 1 75 VAL -1.32 0.49 1 76 LYS 2.19 -0.56 1 77 ASP 4.81 -0.40 1 78 VAL 0.54 -0.13 1 80 PHE 2.61 0.09 1 81 VAL -3.51 -0.11 1 82 GLU 2.42 -0.66 1 83 ALA 2.14 -0.57 1 85 LYS -0.55 -0.09 1 86 LEU -0.24 -0.15 1 87 GLN -5.06 0.20 1 88 VAL 5.15 -0.82 1 90 ASP 1.76 -0.01 1 91 LYS -1.17 0.36 1 92 LEU -2.12 0.95 1 93 LEU -7.86 1.24 1 94 ASP -4.85 1.05 1 95 SER 4.38 -0.59 1 96 ARG -0.32 0.11 1 98 ASN -0.47 -0.07 1 99 VAL -0.21 0.70 1 100 LEU -6.37 0.34 1 101 VAL -3.26 0.99 1 102 VAL 3.22 -0.20 1 103 GLU -0.78 0.02 1 104 GLU -3.99 0.05 1 105 LYS -3.34 0.77 1 106 LYS -3.99 0.29 1 107 LEU -1.79 0.53 1 108 GLU -4.74 0.14 1 109 ILE -0.25 0.69 1 110 ALA -2.93 0.18 1 111 ASP 1.34 -0.29 1 112 LYS -2.52 0.09 1 114 VAL -3.91 0.16 1 115 LYS 0.31 0.33 1 116 VAL -4.87 0.80 1 117 TYR -3.55 0.55 1 118 ASN -5.57 0.39 1 119 PHE -0.81 0.29 1 120 LYS -4.94 0.25 1 121 VAL -1.97 0.17 1 122 ASP 0.25 -0.45 1 123 ASP 4.42 -0.61 1 124 PHE -1.31 -0.04 1 125 HIS 3.81 -0.05 1 126 THR -6.69 0.37 1 127 TYR 0.96 0.39 1 128 HIS -2.45 0.82 1 129 VAL -6.23 1.34 1 131 ASP 4.12 -0.19 1 132 ASN 0.41 -0.18 1 133 GLU 2.64 -0.15 1 134 VAL 1.07 0.12 1 135 LEU 2.21 -0.44 1 136 VAL -5.51 0.83 1 137 HIS -1.83 -0.25 1 138 ASN 0.04 -0.12 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18653_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.45 _LACS_plot.Line_1_terminator_val_y_1 -2.23 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.32 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.01 _LACS_plot.Line_2_terminator_val_x_2 8.08 _LACS_plot.Line_2_terminator_val_y_2 0.48 _LACS_plot.Y_axis_chem_shift_offset 0.70 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 138 ASN 0.04 6.09 0 10 MET -2.31 -1.44 1 11 ILE -3.66 0.19 1 12 LEU 1.62 -1.17 1 13 THR -3.83 -0.01 1 14 ALA 2.03 0.48 1 15 THR 0.00 -1.01 1 17 LEU -0.50 -0.11 1 18 VAL -4.74 -1.87 1 19 ALA 1.61 2.47 1 20 ILE 5.33 -0.86 1 21 GLU 4.67 -0.29 1 22 ASN -0.56 0.02 1 23 ILE 2.48 -1.05 1 24 LYS -4.76 -1.32 1 25 ALA 2.65 0.70 1 27 ASP 0.81 -2.00 1 28 LYS -3.18 0.96 1 29 VAL -5.22 -1.99 1 30 ILE 2.15 -2.82 1 31 ALA -7.11 -3.05 1 32 THR -1.22 -0.16 1 33 ASN -0.42 0.21 1 35 GLU 0.26 0.74 1 36 THR -1.53 0.63 1 37 PHE 8.08 -1.44 1 38 GLU -0.67 -2.16 1 39 VAL -1.97 0.17 1 40 ALA -6.08 -2.51 1 41 GLU -2.30 0.31 1 42 LYS -8.45 -1.17 1 43 THR 1.99 -1.16 1 44 VAL 2.16 0.43 1 45 LEU -0.70 -0.84 1 46 GLU -5.19 -3.01 1 47 THR -2.39 -2.42 1 48 TYR -4.37 -1.25 1 49 VAL -2.08 -0.93 1 50 ARG -5.77 -2.62 1 51 GLU -5.32 -1.25 1 52 THR -2.22 -2.75 1 53 THR -0.23 -1.44 1 54 GLU -2.50 -2.16 1 55 LEU -6.02 -3.11 1 56 LEU -3.72 -2.73 1 57 HIS -3.34 1.18 1 58 LEU -5.29 -2.20 1 59 THR 2.05 -0.58 1 60 ILE -5.00 -0.02 1 63 GLU -5.22 -2.74 1 64 VAL 0.63 -0.21 1 65 ILE -3.35 -1.97 1 66 LYS -1.14 -2.41 1 67 THR -6.52 -2.44 1 68 THR -3.43 1.18 1 69 PHE 3.47 0.12 1 70 ASP -1.36 -0.24 1 71 HIS -0.35 2.84 1 73 PHE -4.61 -0.45 1 74 TYR 2.81 -2.86 1 75 VAL -1.32 -0.43 1 76 LYS 2.19 -0.94 1 77 ASP 4.81 -1.74 1 78 VAL 0.54 -0.51 1 80 PHE 2.61 0.60 1 81 VAL -3.51 -1.47 1 82 GLU 2.42 1.48 1 83 ALA 2.14 1.60 1 85 LYS -0.55 0.61 1 86 LEU -0.24 -1.72 1 87 GLN -5.06 -0.09 1 88 VAL 5.15 1.41 1 90 ASP 1.76 -1.10 1 91 LYS -1.17 -3.01 1 92 LEU -2.12 -1.76 1 93 LEU -7.86 -1.11 1 94 ASP -4.85 3.48 1 95 SER 4.38 0.34 1 96 ARG -0.32 0.08 1 98 ASN -0.47 -1.38 1 99 VAL -0.21 0.19 1 100 LEU -6.37 -2.50 1 101 VAL -3.26 0.49 1 102 VAL 3.22 0.17 1 103 GLU -0.78 -0.35 1 104 GLU -3.99 -3.66 1 105 LYS -3.34 -2.32 1 106 LYS -3.99 -3.33 1 107 LEU -1.79 -2.02 1 108 GLU -4.74 -2.86 1 109 ILE -0.25 0.02 1 110 ALA -2.93 -1.10 1 111 ASP 1.34 -0.67 1 112 LYS -2.52 -1.96 1 114 VAL -3.91 -0.84 1 115 LYS 0.31 -1.11 1 116 VAL -4.87 -2.16 1 117 TYR -3.55 -1.85 1 118 ASN -5.57 -2.51 1 119 PHE -0.81 -4.53 1 120 LYS -4.94 -1.16 1 121 VAL -1.97 -0.76 1 122 ASP 0.25 1.32 1 123 ASP 4.42 -1.14 1 124 PHE -1.31 1.03 1 125 HIS 3.81 -2.18 1 126 THR -6.69 -4.28 1 127 TYR 0.96 -3.64 1 128 HIS -2.45 1.89 1 129 VAL -6.23 0.86 1 131 ASP 4.12 3.76 1 132 ASN 0.41 -0.90 1 133 GLU 2.64 0.66 1 134 VAL 1.07 0.75 1 135 LEU 2.21 -1.95 1 136 VAL -5.51 -3.24 1 137 HIS -1.83 -1.01 1 stop_ save_