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 bmr18122_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.55 _LACS_plot.Line_1_terminator_val_y_1 -2.16 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.63 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.21 _LACS_plot.Line_2_terminator_val_x_2 5.61 _LACS_plot.Line_2_terminator_val_y_2 4.20 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 96 PHE -3.55 -5.06 0 94 TYR -6.32 0.75 0 10 ASP -1.06 -1.65 1 11 ILE 3.41 2.63 1 13 ASN 3.02 2.77 1 14 THR 5.61 4.05 1 15 LEU 3.73 1.88 1 16 ALA 1.73 2.08 1 17 LYS -0.27 -0.60 1 18 MET 0.29 1.36 1 19 ASP -1.84 -1.39 1 20 ASP 3.52 2.67 1 22 GLN 3.10 2.82 1 23 LEU 3.05 2.60 1 24 ASP 3.20 2.47 1 26 LEU -0.96 -0.30 1 27 ALA -0.26 -0.28 1 28 PHE -3.91 -3.89 1 30 ALA -3.87 -0.66 1 31 ILE -5.73 -1.86 1 32 GLN -4.01 -2.14 1 33 LEU -6.36 -2.11 1 34 ASP -1.93 -1.69 1 36 ASP -1.70 -0.14 1 38 ASN 1.06 0.65 1 39 ILE 2.58 2.09 1 40 LEU -0.05 0.60 1 41 GLN -5.65 -0.35 1 42 TYR -1.71 1.08 1 43 ASN -2.66 -0.77 1 44 ALA 3.35 2.39 1 45 ALA 4.18 2.42 1 46 GLU 5.00 1.70 1 48 ASP 2.76 2.73 1 49 ILE 4.54 4.38 1 50 THR -0.27 0.60 1 52 ARG 0.09 0.14 1 53 ASP -3.00 -1.80 1 55 LYS 2.77 1.73 1 56 GLN 0.52 0.82 1 57 VAL 0.35 -0.54 1 58 ILE 4.05 1.91 1 60 LYS -1.91 -1.36 1 61 ASN -0.79 1.75 1 62 PHE 3.61 4.76 1 63 PHE 2.42 2.00 1 64 LYS -0.93 -0.42 1 65 ASP -1.03 1.34 1 66 VAL 1.86 2.54 1 67 ALA -2.88 -1.98 1 70 THR 3.08 1.58 1 71 ASP 2.54 -0.66 1 72 SER -2.87 -0.95 1 74 GLU 1.77 1.83 1 75 PHE -0.53 -0.71 1 76 TYR 1.91 1.69 1 78 LYS 2.80 2.20 1 79 PHE 4.67 3.96 1 80 LYS 4.42 3.04 1 81 GLU 2.54 2.43 1 83 VAL 4.74 3.68 1 84 ALA 3.03 2.29 1 85 SER 0.40 0.94 1 87 ASN -1.93 -1.09 1 88 LEU -0.89 0.29 1 89 ASN 3.21 0.70 1 90 THR -0.85 -0.92 1 91 MET -4.99 -0.92 1 92 PHE -0.98 -1.18 1 93 GLU -3.58 -1.18 1 95 THR 0.24 0.29 1 97 ASP -0.83 -1.02 1 98 TYR -3.20 -1.79 1 99 GLN 4.60 0.61 1 100 MET -3.70 -1.16 1 101 THR 1.41 1.49 1 103 THR -2.39 0.42 1 104 LYS 1.28 0.46 1 105 VAL -5.84 -3.19 1 106 LYS -2.54 -1.04 1 107 VAL -3.15 -2.32 1 108 HIS -5.84 -1.46 1 109 MET -6.55 -1.58 1 110 LYS 1.22 1.80 1 111 LYS -1.03 -0.21 1 112 ALA 2.36 2.57 1 113 LEU -0.07 -0.03 1 114 SER -0.29 -1.01 1 116 ASP -2.02 -0.92 1 117 SER -3.62 0.40 1 118 TYR -5.50 -1.60 1 119 TRP -1.11 -0.13 1 120 VAL -4.52 -2.56 1 121 PHE -4.43 -0.68 1 122 VAL -4.99 -2.26 1 123 LYS 2.36 2.28 1 124 ARG 2.57 2.33 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18122_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.55 _LACS_plot.Line_1_terminator_val_y_1 4.39 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.37 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.79 _LACS_plot.Line_2_terminator_val_x_2 5.61 _LACS_plot.Line_2_terminator_val_y_2 -1.41 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 96 PHE -3.55 -1.51 0 94 TYR -6.32 7.07 0 10 ASP -1.06 -0.59 1 11 ILE 3.41 -0.78 1 13 ASN 3.02 -0.25 1 14 THR 5.61 -1.56 1 15 LEU 3.73 -1.85 1 16 ALA 1.73 0.35 1 17 LYS -0.27 -0.33 1 18 MET 0.29 1.07 1 19 ASP -1.84 0.45 1 20 ASP 3.52 -0.85 1 22 GLN 3.10 -0.28 1 23 LEU 3.05 -0.45 1 24 ASP 3.20 -0.73 1 26 LEU -0.96 0.66 1 27 ALA -0.26 -0.02 1 28 PHE -3.91 0.02 1 30 ALA -3.87 3.21 1 31 ILE -5.73 3.87 1 32 GLN -4.01 1.87 1 33 LEU -6.36 4.25 1 34 ASP -1.93 0.24 1 36 ASP -1.70 1.56 1 38 ASN 1.06 -0.41 1 39 ILE 2.58 -0.49 1 40 LEU -0.05 0.65 1 41 GLN -5.65 5.30 1 42 TYR -1.71 2.79 1 43 ASN -2.66 1.89 1 44 ALA 3.35 -0.96 1 45 ALA 4.18 -1.76 1 46 GLU 5.00 -3.30 1 48 ASP 2.76 -0.03 1 49 ILE 4.54 -0.16 1 50 THR -0.27 0.87 1 52 ARG 0.09 0.05 1 53 ASP -3.00 1.20 1 55 LYS 2.77 -1.04 1 56 GLN 0.52 0.30 1 57 VAL 0.35 -0.89 1 58 ILE 4.05 -2.14 1 60 LYS -1.91 0.55 1 61 ASN -0.79 2.54 1 62 PHE 3.61 1.15 1 63 PHE 2.42 -0.42 1 64 LYS -0.93 0.51 1 65 ASP -1.03 2.37 1 66 VAL 1.86 0.68 1 67 ALA -2.88 0.90 1 70 THR 3.08 -1.50 1 71 ASP 2.54 -3.20 1 72 SER -2.87 1.92 1 74 GLU 1.77 0.06 1 75 PHE -0.53 -0.18 1 76 TYR 1.91 -0.22 1 78 LYS 2.80 -0.60 1 79 PHE 4.67 -0.71 1 80 LYS 4.42 -1.38 1 81 GLU 2.54 -0.11 1 83 VAL 4.74 -1.06 1 84 ALA 3.03 -0.74 1 85 SER 0.40 0.54 1 87 ASN -1.93 0.84 1 88 LEU -0.89 1.18 1 89 ASN 3.21 -2.51 1 90 THR -0.85 -0.07 1 91 MET -4.99 4.07 1 92 PHE -0.98 -0.20 1 93 GLU -3.58 2.40 1 95 THR 0.24 0.05 1 97 ASP -0.83 -0.19 1 98 TYR -3.20 1.41 1 99 GLN 4.60 -3.99 1 100 MET -3.70 2.54 1 101 THR 1.41 0.08 1 103 THR -2.39 2.81 1 104 LYS 1.28 -0.82 1 105 VAL -5.84 2.65 1 106 LYS -2.54 1.50 1 107 VAL -3.15 0.83 1 108 HIS -5.84 4.38 1 109 MET -6.55 4.97 1 110 LYS 1.22 0.58 1 111 LYS -1.03 0.82 1 112 ALA 2.36 0.21 1 113 LEU -0.07 0.04 1 114 SER -0.29 -0.72 1 116 ASP -2.02 1.10 1 117 SER -3.62 4.02 1 118 TYR -5.50 3.90 1 119 TRP -1.11 0.98 1 120 VAL -4.52 1.96 1 121 PHE -4.43 3.75 1 122 VAL -4.99 2.73 1 123 LYS 2.36 -0.08 1 124 ARG 2.57 -0.24 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18122_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.55 _LACS_plot.Line_1_terminator_val_y_1 0.61 _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 0.21 _LACS_plot.Line_2_terminator_val_x_2 5.61 _LACS_plot.Line_2_terminator_val_y_2 -0.50 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 89 ASN 3.21 0.87 0 13 ASN 3.02 -0.14 1 14 THR 5.61 -0.52 1 15 LEU 3.73 -0.26 1 16 ALA 1.73 0.02 1 17 LYS -0.27 0.10 1 18 MET 0.29 -0.02 1 19 ASP -1.84 0.13 1 20 ASP 3.52 -0.26 1 22 GLN 3.10 -0.16 1 23 LEU 3.05 -0.30 1 24 ASP 3.20 0.33 1 26 LEU -0.96 -0.21 1 27 ALA -0.26 0.06 1 28 PHE -3.91 0.45 1 30 ALA -3.87 1.15 1 31 ILE -5.73 0.43 1 32 GLN -4.01 0.28 1 33 LEU -6.36 1.25 1 34 ASP -1.93 0.45 1 36 ASP -1.70 0.43 1 38 ASN 1.06 0.22 1 39 ILE 2.58 -0.18 1 40 LEU -0.05 0.08 1 41 GLN -5.65 0.24 1 42 TYR -1.71 0.28 1 43 ASN -2.66 0.27 1 44 ALA 3.35 -0.23 1 45 ALA 4.18 -0.20 1 46 GLU 5.00 0.01 1 48 ASP 2.76 -0.09 1 49 ILE 4.54 -0.36 1 50 THR -0.27 -0.01 1 52 ARG 0.09 -0.03 1 55 LYS 2.77 -0.25 1 56 GLN 0.52 -0.05 1 57 VAL 0.35 0.02 1 58 ILE 4.05 -0.76 1 60 LYS -1.91 0.14 1 61 ASN -0.79 0.09 1 62 PHE 3.61 -1.01 1 63 PHE 2.42 -1.20 1 64 LYS -0.93 -0.13 1 65 ASP -1.03 0.11 1 66 VAL 1.86 -0.43 1 70 THR 3.08 -0.15 1 71 ASP 2.54 0.08 1 74 GLU 1.77 -0.38 1 75 PHE -0.53 0.19 1 76 TYR 1.91 -0.49 1 78 LYS 2.80 -0.24 1 79 PHE 4.67 -0.54 1 80 LYS 4.42 -0.85 1 81 GLU 2.54 -0.35 1 83 VAL 4.74 -0.83 1 84 ALA 3.03 -0.25 1 85 SER 0.40 -0.08 1 87 ASN -1.93 0.23 1 88 LEU -0.89 0.06 1 90 THR -0.85 0.70 1 91 MET -4.99 1.65 1 92 PHE -0.98 0.41 1 93 GLU -3.58 0.98 1 94 TYR -6.32 0.16 1 95 THR 0.24 0.57 1 96 PHE -3.55 0.94 1 97 ASP -0.83 -0.16 1 98 TYR -3.20 0.42 1 99 GLN 4.60 -0.67 1 100 MET -3.70 0.09 1 103 THR -2.39 0.20 1 104 LYS 1.28 0.38 1 105 VAL -5.84 0.99 1 106 LYS -2.54 0.31 1 107 VAL -3.15 1.06 1 108 HIS -5.84 1.31 1 109 MET -6.55 0.69 1 110 LYS 1.22 -0.03 1 111 LYS -1.03 0.16 1 112 ALA 2.36 -0.22 1 113 LEU -0.07 -0.07 1 114 SER -0.29 0.04 1 116 ASP -2.02 0.18 1 117 SER -3.62 -0.01 1 118 TYR -5.50 0.48 1 119 TRP -1.11 0.05 1 120 VAL -4.52 1.57 1 121 PHE -4.43 1.06 1 122 VAL -4.99 0.56 1 123 LYS 2.36 -0.09 1 124 ARG 2.57 -0.26 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18122_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.55 _LACS_plot.Line_1_terminator_val_y_1 -2.32 _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 -0.86 _LACS_plot.Line_2_terminator_val_x_2 5.61 _LACS_plot.Line_2_terminator_val_y_2 1.84 _LACS_plot.Y_axis_chem_shift_offset 0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 124 ARG 2.57 4.58 0 99 GLN 4.60 -2.50 0 13 ASN 3.02 1.80 1 14 THR 5.61 2.13 1 15 LEU 3.73 1.38 1 16 ALA 1.73 0.63 1 17 LYS -0.27 -0.09 1 18 MET 0.29 -0.28 1 19 ASP -1.84 -0.02 1 20 ASP 3.52 1.63 1 22 GLN 3.10 3.47 1 23 LEU 3.05 2.52 1 24 ASP 3.20 1.09 1 26 LEU -0.96 -0.43 1 27 ALA -0.26 -1.66 1 28 PHE -3.91 -2.14 1 30 ALA -3.87 -3.56 1 31 ILE -5.73 -1.82 1 32 GLN -4.01 -1.80 1 33 LEU -6.36 0.18 1 34 ASP -1.93 2.14 1 36 ASP -1.70 1.21 1 38 ASN 1.06 0.52 1 39 ILE 2.58 0.07 1 40 LEU -0.05 -0.06 1 41 GLN -5.65 -2.16 1 42 TYR -1.71 -1.87 1 43 ASN -2.66 -0.56 1 44 ALA 3.35 2.98 1 45 ALA 4.18 2.52 1 46 GLU 5.00 2.63 1 48 ASP 2.76 2.27 1 49 ILE 4.54 1.76 1 50 THR -0.27 1.93 1 52 ARG 0.09 -1.15 1 53 ASP -3.00 0.95 1 55 LYS 2.77 2.64 1 56 GLN 0.52 1.27 1 57 VAL 0.35 -0.85 1 58 ILE 4.05 1.18 1 60 LYS -1.91 -1.68 1 61 ASN -0.79 1.46 1 62 PHE 3.61 -2.43 1 63 PHE 2.42 -0.21 1 64 LYS -0.93 0.27 1 65 ASP -1.03 -0.33 1 66 VAL 1.86 -1.86 1 67 ALA -2.88 -1.45 1 70 THR 3.08 -0.82 1 71 ASP 2.54 -2.79 1 72 SER -2.87 1.12 1 74 GLU 1.77 -2.51 1 75 PHE -0.53 -0.10 1 76 TYR 1.91 1.01 1 78 LYS 2.80 2.81 1 79 PHE 4.67 -0.17 1 80 LYS 4.42 3.41 1 81 GLU 2.54 2.47 1 83 VAL 4.74 3.19 1 84 ALA 3.03 1.99 1 85 SER 0.40 1.24 1 87 ASN -1.93 -1.68 1 88 LEU -0.89 -2.44 1 89 ASN 3.21 -1.21 1 90 THR -0.85 -3.67 1 91 MET -4.99 -1.01 1 92 PHE -0.98 -3.14 1 93 GLU -3.58 -0.99 1 94 TYR -6.32 -2.86 1 95 THR 0.24 -1.22 1 96 PHE -3.55 0.80 1 97 ASP -0.83 -2.38 1 98 TYR -3.20 -1.18 1 100 MET -3.70 -2.36 1 101 THR 1.41 -0.54 1 103 THR -2.39 -2.48 1 104 LYS 1.28 -0.49 1 105 VAL -5.84 -1.84 1 106 LYS -2.54 -2.86 1 107 VAL -3.15 -1.72 1 108 HIS -5.84 -1.60 1 109 MET -6.55 -1.68 1 110 LYS 1.22 -1.82 1 111 LYS -1.03 0.39 1 112 ALA 2.36 0.33 1 113 LEU -0.07 0.69 1 114 SER -0.29 -1.80 1 116 ASP -2.02 -2.68 1 117 SER -3.62 -3.04 1 118 TYR -5.50 -0.52 1 119 TRP -1.11 -2.59 1 120 VAL -4.52 0.36 1 121 PHE -4.43 -1.86 1 122 VAL -4.99 -1.16 1 123 LYS 2.36 0.26 1 stop_ save_