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 bmr25689_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.41 _LACS_plot.Line_1_terminator_val_y_1 -3.40 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.47 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.27 _LACS_plot.Line_2_terminator_val_x_2 8.89 _LACS_plot.Line_2_terminator_val_y_2 6.28 _LACS_plot.Y_axis_chem_shift_offset 0.58 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 61 ASN -4.87 -1.14 0 53 PHE -1.32 -3.61 0 10 PHE 0.96 -0.18 1 12 SER 0.10 -0.51 1 13 LEU 0.39 -0.44 1 14 SER 0.02 -0.51 1 15 GLU 1.04 0.52 1 16 GLU 0.96 0.41 1 17 SER 1.41 0.39 1 18 GLN 1.83 0.66 1 19 GLN -0.52 1.07 1 21 ASN 1.74 0.75 1 22 ALA 3.46 1.94 1 23 ALA 2.93 1.34 1 24 ARG 3.38 1.28 1 25 GLN 4.43 2.53 1 26 GLN 3.83 2.34 1 27 PHE 4.31 2.86 1 28 VAL 6.02 4.18 1 29 THR 6.37 4.74 1 30 SER 4.11 2.44 1 31 GLU 0.96 1.17 1 32 VAL 6.38 4.16 1 34 ARG 3.79 3.33 1 35 TYR 5.59 4.72 1 37 ALA 4.24 2.16 1 38 ILE 5.52 3.87 1 39 TYR 2.66 -0.38 1 40 THR 6.77 5.23 1 41 GLN 5.26 2.95 1 42 LEU 3.48 2.28 1 43 ILE 5.20 4.27 1 44 ARG 4.57 3.18 1 45 GLN 3.53 1.68 1 46 ASN -2.11 -0.46 1 47 LEU -1.74 -0.36 1 48 LEU 1.38 -1.09 1 49 VAL 2.12 0.89 1 50 GLU -3.91 -3.07 1 52 SER 3.22 1.51 1 54 ARG 4.36 2.10 1 56 LYS -3.62 -3.01 1 57 GLN -4.68 -1.78 1 59 ARG -1.16 -0.88 1 60 VAL -6.41 -4.65 1 62 LEU -2.41 -1.78 1 63 LYS -2.05 -2.36 1 64 LEU -5.09 -2.65 1 65 ILE -2.16 -1.58 1 67 THR -2.87 -1.64 1 69 THR 0.05 -1.24 1 71 ALA -5.32 -2.77 1 72 LEU -4.53 -3.36 1 73 LEU 1.22 0.63 1 75 SER -1.53 -0.83 1 76 LEU -3.95 -1.96 1 77 THR -1.82 -0.92 1 78 VAL 2.99 1.41 1 79 LEU 1.66 0.45 1 80 ASP -1.98 -1.23 1 82 ASP -2.73 -0.03 1 85 LEU 4.24 1.44 1 87 ALA 4.65 2.57 1 88 ALA 3.02 1.92 1 89 THR 8.89 5.61 1 90 LYS 5.41 3.88 1 91 ARG 4.08 2.53 1 92 ALA 2.37 2.07 1 93 VAL 5.44 3.36 1 94 ALA 2.36 0.77 1 95 GLN -0.22 -0.60 1 96 VAL 2.46 0.24 1 97 ASN 3.63 2.89 1 98 SER -1.40 -1.65 1 99 PHE -0.34 -1.09 1 101 LEU -5.93 -2.67 1 103 LYS -0.02 -0.47 1 104 ASP 1.61 -0.25 1 105 GLN -2.01 -1.71 1 107 ASP 4.15 1.14 1 108 VAL 4.25 2.69 1 109 VAL 7.11 5.14 1 110 GLU 2.81 1.93 1 111 LYS 0.69 0.12 1 112 LEU 1.69 0.12 1 113 LYS 2.32 1.51 1 114 ASN -0.79 -1.19 1 115 ILE -5.37 -2.27 1 116 ASN -2.00 -2.59 1 117 LEU -4.84 -2.32 1 118 THR 0.89 0.00 1 119 VAL 0.49 -0.42 1 120 ALA -4.92 -3.81 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25689_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.41 _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 -1.53 _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 8.89 _LACS_plot.Line_2_terminator_val_y_2 -2.61 _LACS_plot.Y_axis_chem_shift_offset 0.58 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 61 ASN -4.87 3.73 0 53 PHE -1.32 -2.29 0 10 PHE 0.96 -1.14 1 12 SER 0.10 -0.61 1 13 LEU 0.39 -0.83 1 14 SER 0.02 -0.53 1 15 GLU 1.04 -0.52 1 16 GLU 0.96 -0.55 1 17 SER 1.41 -1.02 1 18 GLN 1.83 -1.17 1 19 GLN -0.52 1.59 1 21 ASN 1.74 -0.99 1 22 ALA 3.46 -1.52 1 23 ALA 2.93 -1.59 1 24 ARG 3.38 -2.10 1 25 GLN 4.43 -1.90 1 26 GLN 3.83 -1.49 1 27 PHE 4.31 -1.45 1 28 VAL 6.02 -1.84 1 29 THR 6.37 -1.63 1 30 SER 4.11 -1.67 1 31 GLU 0.96 0.21 1 32 VAL 6.38 -2.22 1 34 ARG 3.79 -0.46 1 35 TYR 5.59 -0.87 1 37 ALA 4.24 -2.08 1 38 ILE 5.52 -1.65 1 39 TYR 2.66 -3.04 1 40 THR 6.77 -1.54 1 41 GLN 5.26 -2.31 1 42 LEU 3.48 -1.20 1 43 ILE 5.20 -0.93 1 44 ARG 4.57 -1.39 1 45 GLN 3.53 -1.85 1 46 ASN -2.11 1.65 1 47 LEU -1.74 1.38 1 48 LEU 1.38 -2.47 1 49 VAL 2.12 -1.23 1 50 GLU -3.91 0.84 1 52 SER 3.22 -1.71 1 54 ARG 4.36 -2.26 1 56 LYS -3.62 0.61 1 57 GLN -4.68 2.90 1 59 ARG -1.16 0.28 1 60 VAL -6.41 1.76 1 62 LEU -2.41 0.63 1 63 LYS -2.05 -0.31 1 64 LEU -5.09 2.44 1 65 ILE -2.16 0.58 1 67 THR -2.87 1.23 1 69 THR 0.05 -1.29 1 71 ALA -5.32 2.55 1 72 LEU -4.53 1.17 1 73 LEU 1.22 -0.59 1 75 SER -1.53 0.70 1 76 LEU -3.95 1.99 1 77 THR -1.82 0.90 1 78 VAL 2.99 -1.58 1 79 LEU 1.66 -1.21 1 80 ASP -1.98 0.75 1 82 ASP -2.73 2.70 1 85 LEU 4.24 -2.80 1 87 ALA 4.65 -2.08 1 88 ALA 3.02 -1.10 1 89 THR 8.89 -3.28 1 90 LYS 5.41 -1.53 1 91 ARG 4.08 -1.55 1 92 ALA 2.37 -0.30 1 93 VAL 5.44 -2.08 1 94 ALA 2.36 -1.59 1 95 GLN -0.22 -0.38 1 96 VAL 2.46 -2.22 1 97 ASN 3.63 -0.74 1 98 SER -1.40 -0.25 1 99 PHE -0.34 -0.75 1 101 LEU -5.93 3.26 1 103 LYS -0.02 -0.45 1 104 ASP 1.61 -1.86 1 105 GLN -2.01 0.30 1 107 ASP 4.15 -3.01 1 108 VAL 4.25 -1.56 1 109 VAL 7.11 -1.97 1 110 GLU 2.81 -0.88 1 111 LYS 0.69 -0.57 1 112 LEU 1.69 -1.57 1 113 LYS 2.32 -0.81 1 114 ASN -0.79 -0.40 1 115 ILE -5.37 3.10 1 116 ASN -2.00 -0.59 1 117 LEU -4.84 2.52 1 118 THR 0.89 -0.89 1 119 VAL 0.49 -0.91 1 120 ALA -4.92 1.11 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25689_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.41 _LACS_plot.Line_1_terminator_val_y_1 0.57 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.12 _LACS_plot.Line_2_terminator_val_x_2 8.89 _LACS_plot.Line_2_terminator_val_y_2 -0.90 _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 109 VAL 7.11 0.37 0 10 PHE 0.96 -0.10 1 12 SER 0.10 -0.13 1 13 LEU 0.39 -0.09 1 14 SER 0.02 -0.18 1 15 GLU 1.04 -0.26 1 16 GLU 0.96 -0.26 1 17 SER 1.41 -0.20 1 18 GLN 1.83 -0.21 1 19 GLN -0.52 -0.26 1 22 ALA 3.46 -0.04 1 23 ALA 2.93 0.20 1 24 ARG 3.38 -0.18 1 25 GLN 4.43 -0.34 1 26 GLN 3.83 -0.34 1 27 PHE 4.31 -0.38 1 28 VAL 6.02 -0.95 1 29 THR 6.37 -0.66 1 30 SER 4.11 -0.34 1 31 GLU 0.96 -0.07 1 32 VAL 6.38 -0.67 1 34 ARG 3.79 -0.50 1 35 TYR 5.59 -1.01 1 37 ALA 4.24 -0.20 1 38 ILE 5.52 -0.58 1 39 TYR 2.66 -0.09 1 40 THR 6.77 -0.66 1 41 GLN 5.26 -0.40 1 42 LEU 3.48 -0.40 1 43 ILE 5.20 -0.97 1 44 ARG 4.57 -0.66 1 45 GLN 3.53 -0.33 1 46 ASN -2.11 -0.03 1 47 LEU -1.74 -0.29 1 48 LEU 1.38 0.08 1 49 VAL 2.12 -0.41 1 50 GLU -3.91 -0.15 1 53 PHE -1.32 -0.10 1 54 ARG 4.36 -0.57 1 56 LYS -3.62 0.26 1 57 GLN -4.68 0.74 1 59 ARG -1.16 0.87 1 60 VAL -6.41 0.90 1 61 ASN -4.87 0.67 1 62 LEU -2.41 0.40 1 63 LYS -2.05 0.89 1 64 LEU -5.09 0.39 1 65 ILE -2.16 -0.06 1 67 THR -2.87 0.22 1 69 THR 0.05 0.22 1 71 ALA -5.32 0.79 1 72 LEU -4.53 0.39 1 73 LEU 1.22 -0.42 1 75 SER -1.53 -0.14 1 76 LEU -3.95 0.83 1 77 THR -1.82 0.11 1 78 VAL 2.99 -0.41 1 79 LEU 1.66 -0.10 1 80 ASP -1.98 -0.15 1 82 ASP -2.73 -0.26 1 85 LEU 4.24 -0.28 1 87 ALA 4.65 -0.32 1 88 ALA 3.02 -0.17 1 89 THR 8.89 -0.86 1 90 LYS 5.41 0.11 1 91 ARG 4.08 -0.38 1 92 ALA 2.37 -0.40 1 93 VAL 5.44 -0.63 1 94 ALA 2.36 -0.28 1 95 GLN -0.22 -0.25 1 96 VAL 2.46 -0.68 1 98 SER -1.40 0.00 1 99 PHE -0.34 -0.47 1 101 LEU -5.93 -0.24 1 103 LYS -0.02 -0.23 1 104 ASP 1.61 -0.35 1 105 GLN -2.01 0.22 1 107 ASP 4.15 -0.39 1 108 VAL 4.25 -0.65 1 110 GLU 2.81 -0.58 1 111 LYS 0.69 -0.21 1 112 LEU 1.69 -0.36 1 113 LYS 2.32 -0.45 1 114 ASN -0.79 0.49 1 115 ILE -5.37 0.44 1 116 ASN -2.00 1.01 1 117 LEU -4.84 0.37 1 118 THR 0.89 0.22 1 119 VAL 0.49 -0.34 1 120 ALA -4.92 0.60 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25689_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.41 _LACS_plot.Line_1_terminator_val_y_1 -2.97 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.64 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.99 _LACS_plot.Line_2_terminator_val_x_2 8.89 _LACS_plot.Line_2_terminator_val_y_2 3.16 _LACS_plot.Y_axis_chem_shift_offset 0.23 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 112 LEU 1.69 -3.10 0 89 THR 8.89 0.54 0 10 PHE 0.96 0.63 1 12 SER 0.10 0.01 1 13 LEU 0.39 -0.14 1 14 SER 0.02 0.25 1 15 GLU 1.04 0.64 1 16 GLU 0.96 0.64 1 17 SER 1.41 0.72 1 18 GLN 1.83 0.89 1 19 GLN -0.52 0.53 1 21 ASN 1.74 0.87 1 22 ALA 3.46 1.72 1 23 ALA 2.93 2.64 1 24 ARG 3.38 1.70 1 25 GLN 4.43 2.59 1 26 GLN 3.83 2.16 1 27 PHE 4.31 1.01 1 28 VAL 6.02 1.18 1 29 THR 6.37 2.62 1 30 SER 4.11 2.64 1 31 GLU 0.96 2.43 1 32 VAL 6.38 2.76 1 34 ARG 3.79 3.24 1 35 TYR 5.59 1.39 1 37 ALA 4.24 2.85 1 38 ILE 5.52 2.47 1 39 TYR 2.66 2.51 1 40 THR 6.77 1.21 1 41 GLN 5.26 2.03 1 42 LEU 3.48 1.67 1 43 ILE 5.20 1.68 1 44 ARG 4.57 2.81 1 45 GLN 3.53 0.26 1 46 ASN -2.11 -1.92 1 47 LEU -1.74 -2.07 1 48 LEU 1.38 -1.85 1 49 VAL 2.12 -1.39 1 50 GLU -3.91 0.34 1 52 SER 3.22 0.71 1 53 PHE -1.32 0.06 1 54 ARG 4.36 1.02 1 56 LYS -3.62 -2.10 1 57 GLN -4.68 -1.74 1 59 ARG -1.16 -1.17 1 60 VAL -6.41 -3.56 1 61 ASN -4.87 -2.00 1 62 LEU -2.41 -3.53 1 63 LYS -2.05 0.10 1 64 LEU -5.09 -1.50 1 65 ILE -2.16 -0.33 1 67 THR -2.87 -0.06 1 69 THR 0.05 -0.58 1 71 ALA -5.32 -2.02 1 72 LEU -4.53 -0.74 1 73 LEU 1.22 -1.58 1 75 SER -1.53 -3.29 1 76 LEU -3.95 -2.01 1 77 THR -1.82 -1.20 1 78 VAL 2.99 -1.12 1 79 LEU 1.66 -1.07 1 80 ASP -1.98 -2.88 1 82 ASP -2.73 0.21 1 85 LEU 4.24 3.22 1 87 ALA 4.65 2.72 1 88 ALA 3.02 3.02 1 90 LYS 5.41 2.21 1 91 ARG 4.08 1.62 1 92 ALA 2.37 2.42 1 93 VAL 5.44 1.18 1 94 ALA 2.36 0.01 1 95 GLN -0.22 -0.01 1 96 VAL 2.46 -0.31 1 97 ASN 3.63 -0.07 1 99 PHE -0.34 -0.93 1 101 LEU -5.93 -1.33 1 103 LYS -0.02 -0.55 1 104 ASP 1.61 -1.42 1 105 GLN -2.01 -0.93 1 107 ASP 4.15 1.97 1 108 VAL 4.25 1.21 1 109 VAL 7.11 0.40 1 110 GLU 2.81 1.91 1 111 LYS 0.69 1.02 1 113 LYS 2.32 -0.17 1 114 ASN -0.79 -2.00 1 115 ILE -5.37 -4.28 1 116 ASN -2.00 -0.53 1 117 LEU -4.84 -1.93 1 118 THR 0.89 -1.47 1 119 VAL 0.49 -3.04 1 120 ALA -4.92 -3.62 1 stop_ save_