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 bmr19907_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.41 _LACS_plot.Line_1_terminator_val_y_1 -3.51 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.94 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.46 _LACS_plot.Line_2_terminator_val_x_2 7.57 _LACS_plot.Line_2_terminator_val_y_2 5.92 _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 98 VAL -7.41 -2.08 0 10 LYS 0.99 0.59 1 11 PHE -2.69 -2.72 1 12 LYS -1.53 -1.69 1 13 VAL -0.84 -0.60 1 15 GLU 5.12 4.65 1 16 GLU 4.70 3.48 1 17 ILE 3.65 1.76 1 18 GLN 6.94 5.12 1 19 LYS 4.97 3.65 1 20 GLU 2.84 3.12 1 21 LEU 4.12 3.14 1 22 LEU 4.47 3.02 1 23 ASP 3.41 3.00 1 24 ALA 4.86 2.40 1 25 VAL 6.42 4.82 1 26 ALA 2.71 2.13 1 27 LYS -0.52 -0.60 1 28 ALA 0.49 0.59 1 29 GLN 1.12 1.42 1 30 LYS -2.43 0.29 1 31 ILE -5.70 -1.81 1 32 LYS -5.14 -3.13 1 33 LYS -2.96 -0.86 1 35 ALA 3.69 4.00 1 36 ASN 5.11 4.02 1 37 GLU 2.55 2.41 1 38 VAL 7.18 5.59 1 39 THR 7.57 6.65 1 40 LYS 3.92 3.00 1 41 ALA 3.07 1.85 1 42 VAL 5.14 4.12 1 43 GLU 3.74 3.61 1 44 ARG -0.05 0.29 1 46 ILE -0.15 0.09 1 47 ALA -1.55 -0.90 1 48 LYS -0.69 0.80 1 49 LEU -2.41 -0.10 1 50 VAL -1.43 -0.71 1 51 ILE -2.89 -1.18 1 52 ILE -2.91 -0.82 1 53 ALA -0.46 -0.85 1 54 GLU 0.87 2.23 1 55 ASP 0.50 -1.58 1 56 VAL 3.46 2.16 1 57 LYS -4.65 -1.59 1 59 GLU 4.11 3.68 1 60 GLU 3.45 2.65 1 61 VAL 4.48 3.88 1 62 VAL -3.22 -2.43 1 63 ALA 2.89 2.84 1 64 HIS 0.98 2.01 1 65 LEU 7.05 5.76 1 67 TYR 3.79 2.75 1 68 LEU 2.31 2.61 1 70 GLU 3.69 2.64 1 71 GLU 2.94 2.62 1 72 LYS -0.98 -1.76 1 74 ILE -3.66 -1.87 1 76 TYR -6.35 -3.37 1 77 ALA -6.16 -1.96 1 78 TYR -5.69 -1.71 1 79 VAL -5.49 -3.64 1 80 ALA 2.72 3.14 1 81 SER -4.62 -3.75 1 82 LYS 3.66 1.87 1 83 GLN 4.97 3.64 1 84 ASP 3.87 2.73 1 85 LEU 4.19 2.45 1 87 LYS 4.11 2.87 1 88 ALA 3.31 2.71 1 89 ALA -0.29 -1.12 1 91 LEU -4.18 -2.23 1 92 GLU -0.89 -0.75 1 93 VAL -5.78 -3.50 1 94 ALA -1.51 -0.65 1 95 ALA -3.51 -2.10 1 96 SER 1.43 0.87 1 97 SER -2.44 -2.05 1 99 ALA -6.06 -3.36 1 100 ILE 1.91 1.98 1 101 ILE 1.83 -0.65 1 102 ASN -1.96 0.16 1 103 GLU -1.26 -1.12 1 105 ASP -2.48 0.00 1 106 ALA 3.16 3.15 1 107 GLU 3.92 2.64 1 108 GLU 2.02 2.37 1 109 LEU 4.21 3.06 1 110 LYS 4.66 4.00 1 111 VAL 4.42 3.65 1 112 LEU 2.96 2.85 1 113 ILE 6.15 5.28 1 114 GLU 4.00 3.01 1 115 LYS 4.19 3.85 1 116 VAL 5.01 3.52 1 117 ASN 4.03 2.63 1 118 VAL 3.92 2.64 1 119 LEU 1.41 0.86 1 120 LYS 1.16 0.25 1 121 GLN 1.35 1.91 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19907_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.41 _LACS_plot.Line_1_terminator_val_y_1 3.90 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.54 _LACS_plot.Line_2_terminator_val_x_2 7.57 _LACS_plot.Line_2_terminator_val_y_2 -1.65 _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 98 VAL -7.41 5.33 0 10 LYS 0.99 -0.40 1 11 PHE -2.69 -0.03 1 12 LYS -1.53 -0.16 1 13 VAL -0.84 0.24 1 15 GLU 5.12 -0.47 1 16 GLU 4.70 -1.22 1 17 ILE 3.65 -1.89 1 18 GLN 6.94 -1.82 1 19 LYS 4.97 -1.32 1 20 GLU 2.84 0.28 1 21 LEU 4.12 -0.98 1 22 LEU 4.47 -1.45 1 23 ASP 3.41 -0.41 1 24 ALA 4.86 -2.46 1 25 VAL 6.42 -1.60 1 26 ALA 2.71 -0.58 1 27 LYS -0.52 -0.08 1 28 ALA 0.49 0.10 1 29 GLN 1.12 0.30 1 30 LYS -2.43 2.72 1 31 ILE -5.70 3.89 1 32 LYS -5.14 2.01 1 33 LYS -2.96 2.10 1 35 ALA 3.69 0.31 1 36 ASN 5.11 -1.09 1 37 GLU 2.55 -0.14 1 38 VAL 7.18 -1.59 1 39 THR 7.57 -0.92 1 40 LYS 3.92 -0.92 1 41 ALA 3.07 -1.22 1 42 VAL 5.14 -1.02 1 43 GLU 3.74 -0.13 1 44 ARG -0.05 0.34 1 46 ILE -0.15 0.24 1 47 ALA -1.55 0.65 1 48 LYS -0.69 1.49 1 49 LEU -2.41 2.31 1 50 VAL -1.43 0.72 1 51 ILE -2.89 1.71 1 52 ILE -2.91 2.09 1 53 ALA -0.46 -0.39 1 54 GLU 0.87 1.36 1 55 ASP 0.50 -2.08 1 56 VAL 3.46 -1.30 1 57 LYS -4.65 3.06 1 59 GLU 4.11 -0.43 1 60 GLU 3.45 -0.80 1 61 VAL 4.48 -0.60 1 62 VAL -3.22 0.79 1 63 ALA 2.89 -0.05 1 64 HIS 0.98 1.03 1 65 LEU 7.05 -1.29 1 67 TYR 3.79 -1.04 1 68 LEU 2.31 0.30 1 70 GLU 3.69 -1.05 1 71 GLU 2.94 -0.32 1 72 LYS -0.98 -0.78 1 74 ILE -3.66 1.79 1 76 TYR -6.35 2.98 1 77 ALA -6.16 4.20 1 78 TYR -5.69 3.98 1 79 VAL -5.49 1.85 1 80 ALA 2.72 0.42 1 81 SER -4.62 0.87 1 82 LYS 3.66 -1.79 1 83 GLN 4.97 -1.33 1 84 ASP 3.87 -1.14 1 85 LEU 4.19 -1.74 1 87 LYS 4.11 -1.24 1 88 ALA 3.31 -0.60 1 89 ALA -0.29 -0.83 1 91 LEU -4.18 1.95 1 92 GLU -0.89 0.14 1 93 VAL -5.78 2.28 1 94 ALA -1.51 0.86 1 95 ALA -3.51 1.41 1 96 SER 1.43 -0.56 1 97 SER -2.44 0.39 1 99 ALA -6.06 2.70 1 100 ILE 1.91 0.07 1 101 ILE 1.83 -2.48 1 102 ASN -1.96 2.12 1 103 GLU -1.26 0.14 1 105 ASP -2.48 2.48 1 106 ALA 3.16 -0.01 1 107 GLU 3.92 -1.28 1 108 GLU 2.02 0.35 1 109 LEU 4.21 -1.15 1 110 LYS 4.66 -0.66 1 111 VAL 4.42 -0.77 1 112 LEU 2.96 -0.11 1 113 ILE 6.15 -0.87 1 114 GLU 4.00 -0.99 1 115 LYS 4.19 -0.34 1 116 VAL 5.01 -1.49 1 117 ASN 4.03 -1.40 1 118 VAL 3.92 -1.28 1 119 LEU 1.41 -0.55 1 120 LYS 1.16 -0.91 1 121 GLN 1.35 0.56 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19907_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.41 _LACS_plot.Line_1_terminator_val_y_1 0.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.19 _LACS_plot.Line_2_terminator_val_x_2 7.57 _LACS_plot.Line_2_terminator_val_y_2 -0.71 _LACS_plot.Y_axis_chem_shift_offset -0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 76 TYR -6.35 1.46 0 77 ALA -6.16 -0.15 0 78 TYR -5.69 1.58 0 10 LYS 0.99 -0.24 1 11 PHE -2.69 0.11 1 12 LYS -1.53 0.05 1 13 VAL -0.84 0.28 1 15 GLU 5.12 0.42 1 16 GLU 4.70 0.40 1 17 ILE 3.65 -0.17 1 18 GLN 6.94 -0.37 1 19 LYS 4.97 -0.35 1 20 GLU 2.84 -0.23 1 21 LEU 4.12 -0.45 1 22 LEU 4.47 -0.55 1 23 ASP 3.41 -0.23 1 24 ALA 4.86 -0.38 1 25 VAL 6.42 -0.90 1 26 ALA 2.71 0.09 1 27 LYS -0.52 0.05 1 28 ALA 0.49 -0.26 1 29 GLN 1.12 -0.23 1 30 LYS -2.43 0.51 1 31 ILE -5.70 1.19 1 32 LYS -5.14 0.57 1 33 LYS -2.96 0.63 1 35 ALA 3.69 0.41 1 36 ASN 5.11 -0.47 1 37 GLU 2.55 -0.30 1 38 VAL 7.18 -0.90 1 39 THR 7.57 -0.82 1 40 LYS 3.92 -0.18 1 41 ALA 3.07 -0.29 1 42 VAL 5.14 -0.57 1 43 GLU 3.74 -0.51 1 44 ARG -0.05 -0.05 1 46 ILE -0.15 0.37 1 47 ALA -1.55 -0.25 1 48 LYS -0.69 0.04 1 49 LEU -2.41 0.24 1 50 VAL -1.43 0.54 1 51 ILE -2.89 0.35 1 52 ILE -2.91 0.12 1 53 ALA -0.46 0.84 1 54 GLU 0.87 -0.40 1 55 ASP 0.50 0.23 1 56 VAL 3.46 -0.56 1 57 LYS -4.65 0.02 1 59 GLU 4.11 -0.44 1 60 GLU 3.45 -0.33 1 61 VAL 4.48 -0.37 1 62 VAL -3.22 0.41 1 63 ALA 2.89 -0.59 1 64 HIS 0.98 0.03 1 65 LEU 7.05 -0.90 1 67 TYR 3.79 -0.48 1 68 LEU 2.31 -0.18 1 70 GLU 3.69 -0.15 1 71 GLU 2.94 -0.35 1 72 LYS -0.98 0.06 1 74 ILE -3.66 0.06 1 79 VAL -5.49 0.24 1 80 ALA 2.72 -0.55 1 81 SER -4.62 0.86 1 82 LYS 3.66 0.01 1 83 GLN 4.97 -0.37 1 84 ASP 3.87 -0.30 1 85 LEU 4.19 -0.33 1 87 LYS 4.11 0.04 1 88 ALA 3.31 -0.20 1 89 ALA -0.29 -0.29 1 91 LEU -4.18 0.32 1 92 GLU -0.89 0.08 1 93 VAL -5.78 0.46 1 94 ALA -1.51 -0.17 1 95 ALA -3.51 0.45 1 96 SER 1.43 -0.62 1 97 SER -2.44 0.75 1 98 VAL -7.41 0.73 1 99 ALA -6.06 1.15 1 100 ILE 1.91 -0.17 1 101 ILE 1.83 0.28 1 102 ASN -1.96 0.34 1 103 GLU -1.26 0.02 1 105 ASP -2.48 0.15 1 106 ALA 3.16 0.44 1 107 GLU 3.92 -0.23 1 108 GLU 2.02 -0.39 1 109 LEU 4.21 -0.33 1 110 LYS 4.66 -0.36 1 111 VAL 4.42 -0.40 1 112 LEU 2.96 -0.30 1 113 ILE 6.15 -0.82 1 114 GLU 4.00 -0.26 1 115 LYS 4.19 -0.26 1 116 VAL 5.01 -0.40 1 117 ASN 4.03 -0.45 1 118 VAL 3.92 -0.24 1 119 LEU 1.41 -0.21 1 120 LYS 1.16 -0.66 1 121 GLN 1.35 -0.33 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19907_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.41 _LACS_plot.Line_1_terminator_val_y_1 -3.13 _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 -0.77 _LACS_plot.Line_2_terminator_val_x_2 7.57 _LACS_plot.Line_2_terminator_val_y_2 2.69 _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 87 LYS 4.11 4.89 0 77 ALA -6.16 -4.63 0 81 SER -4.62 1.34 0 10 LYS 0.99 -1.31 1 11 PHE -2.69 -3.52 1 12 LYS -1.53 -0.40 1 15 GLU 5.12 1.43 1 16 GLU 4.70 2.44 1 17 ILE 3.65 1.49 1 18 GLN 6.94 2.01 1 19 LYS 4.97 2.14 1 20 GLU 2.84 3.49 1 21 LEU 4.12 0.53 1 22 LEU 4.47 2.02 1 23 ASP 3.41 1.68 1 24 ALA 4.86 2.86 1 25 VAL 6.42 0.83 1 26 ALA 2.71 1.76 1 27 LYS -0.52 -0.85 1 28 ALA 0.49 -0.56 1 29 GLN 1.12 0.93 1 30 LYS -2.43 -1.04 1 31 ILE -5.70 -1.59 1 32 LYS -5.14 -1.26 1 33 LYS -2.96 -0.81 1 36 ASN 5.11 2.56 1 37 GLU 2.55 3.91 1 38 VAL 7.18 0.56 1 39 THR 7.57 1.11 1 40 LYS 3.92 1.57 1 41 ALA 3.07 1.49 1 42 VAL 5.14 2.21 1 43 GLU 3.74 2.41 1 44 ARG -0.05 0.67 1 46 ILE -0.15 -0.74 1 47 ALA -1.55 -2.27 1 48 LYS -0.69 -0.48 1 49 LEU -2.41 -3.15 1 50 VAL -1.43 -3.38 1 51 ILE -2.89 -2.37 1 52 ILE -2.91 -1.15 1 53 ALA -0.46 2.33 1 54 GLU 0.87 -0.37 1 55 ASP 0.50 -0.46 1 56 VAL 3.46 -1.62 1 59 GLU 4.11 1.30 1 60 GLU 3.45 0.21 1 61 VAL 4.48 0.23 1 62 VAL -3.22 1.09 1 63 ALA 2.89 -0.73 1 64 HIS 0.98 3.29 1 67 TYR 3.79 2.17 1 68 LEU 2.31 1.39 1 70 GLU 3.69 3.52 1 71 GLU 2.94 1.99 1 72 LYS -0.98 0.02 1 76 TYR -6.35 -3.07 1 78 TYR -5.69 -1.15 1 79 VAL -5.49 -0.44 1 80 ALA 2.72 0.60 1 82 LYS 3.66 2.39 1 83 GLN 4.97 2.14 1 84 ASP 3.87 3.04 1 85 LEU 4.19 0.20 1 88 ALA 3.31 0.12 1 89 ALA -0.29 -1.95 1 91 LEU -4.18 -0.38 1 92 GLU -0.89 -0.81 1 93 VAL -5.78 -2.37 1 94 ALA -1.51 -1.26 1 95 ALA -3.51 -2.48 1 96 SER 1.43 -1.48 1 97 SER -2.44 -1.55 1 98 VAL -7.41 -2.89 1 99 ALA -6.06 -1.25 1 100 ILE 1.91 -2.54 1 101 ILE 1.83 -1.87 1 102 ASN -1.96 -1.88 1 103 GLU -1.26 -1.71 1 105 ASP -2.48 0.03 1 106 ALA 3.16 2.33 1 107 GLU 3.92 2.52 1 108 GLU 2.02 3.55 1 109 LEU 4.21 -0.19 1 110 LYS 4.66 2.75 1 111 VAL 4.42 1.88 1 112 LEU 2.96 0.74 1 113 ILE 6.15 1.32 1 114 GLU 4.00 2.83 1 115 LYS 4.19 3.00 1 116 VAL 5.01 1.35 1 117 ASN 4.03 3.39 1 118 VAL 3.92 1.36 1 119 LEU 1.41 -0.27 1 120 LYS 1.16 -1.24 1 stop_ save_