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 bmr5504_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.55 _LACS_plot.Line_1_terminator_val_y_1 -2.57 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.82 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.24 _LACS_plot.Line_2_terminator_val_x_2 7.30 _LACS_plot.Line_2_terminator_val_y_2 5.13 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 117 GLU 4.37 6.96 0 10 ASP -0.88 -0.02 1 12 LYS 2.19 1.42 1 13 LEU 3.24 2.20 1 14 SER 3.09 2.30 1 15 LEU -0.67 -0.71 1 16 MET -1.45 -2.12 1 18 TRP -5.92 -4.72 1 19 PHE 1.03 0.30 1 20 HIS -2.97 1.59 1 22 LYS 2.16 -0.01 1 23 ILE -3.45 -1.50 1 24 SER -3.32 -1.10 1 26 GLN 4.58 3.30 1 27 GLU 0.16 0.19 1 28 ALA 2.09 2.69 1 29 ILE 4.57 4.32 1 30 GLN 3.18 2.10 1 31 GLN 1.56 1.50 1 32 LEU 0.71 -2.14 1 33 GLN -4.25 -2.32 1 36 GLU -3.67 -0.47 1 37 ASP 3.17 1.82 1 39 LEU -2.27 -0.11 1 40 PHE -7.02 -1.67 1 41 LEU -2.97 -0.51 1 42 VAL -3.43 -1.19 1 43 ARG -7.55 -3.62 1 44 GLU -3.93 -1.30 1 45 SER -0.51 -0.70 1 46 ALA 0.59 0.97 1 47 ARG 1.08 1.36 1 48 HIS -1.65 -1.12 1 51 ASP -1.28 -1.22 1 52 TYR -4.20 -1.31 1 53 VAL -3.23 -0.59 1 54 LEU -3.22 -1.04 1 56 VAL -5.84 -2.60 1 57 SER -1.51 -0.90 1 58 PHE -2.26 0.70 1 60 ARG 4.52 1.54 1 61 ASP -5.28 -1.82 1 62 VAL -0.97 -0.35 1 63 ILE -0.65 -1.90 1 64 HIS -3.81 -0.41 1 65 TYR -2.56 -0.91 1 66 ARG 1.96 1.12 1 67 VAL 1.83 -0.19 1 68 LEU -1.20 -0.71 1 69 HIS -2.01 -0.51 1 70 ARG -3.25 -1.64 1 71 ASP 2.57 1.35 1 73 HIS -3.94 -0.41 1 74 LEU -4.28 -1.71 1 75 THR -0.22 -0.39 1 76 ILE -2.84 1.91 1 77 ASP -2.23 -0.61 1 78 GLU 4.82 2.80 1 79 ALA -1.08 0.89 1 80 VAL -1.32 -1.19 1 82 PHE -6.74 -1.78 1 84 ASN -2.38 -0.72 1 85 LEU 0.12 1.89 1 86 MET 7.30 5.20 1 87 ASP 3.34 2.79 1 88 MET 1.96 2.80 1 89 VAL 5.26 4.22 1 90 GLU 3.78 3.20 1 91 HIS 3.22 5.66 1 92 TYR 3.74 2.30 1 93 THR 2.68 2.41 1 94 ARG 0.92 1.40 1 95 ASP -4.08 -0.81 1 96 LYS 2.34 1.75 1 98 ALA -1.52 0.28 1 99 ILE -1.44 -0.09 1 101 THR -1.63 -2.00 1 102 LYS 1.25 1.11 1 103 LEU 3.54 -0.51 1 104 VAL -0.23 1.55 1 105 LYS -4.66 -1.50 1 107 LYS -0.90 -2.41 1 108 ARG 0.73 0.39 1 109 LYS 0.75 -0.02 1 110 GLN 0.22 0.35 1 112 ALA -0.72 -0.12 1 113 LYS -0.05 0.19 1 114 SER -1.31 -0.30 1 115 ALA 1.29 1.09 1 116 GLU 1.17 1.00 1 118 GLU -0.03 0.54 1 119 LEU 0.13 0.29 1 120 ALA 0.28 0.08 1 121 LYS -0.24 -0.21 1 122 ALA -0.72 -0.12 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5504_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.55 _LACS_plot.Line_1_terminator_val_y_1 4.98 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.76 _LACS_plot.Line_2_terminator_val_x_2 7.30 _LACS_plot.Line_2_terminator_val_y_2 -2.17 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 117 GLU 4.37 2.59 0 10 ASP -0.88 0.86 1 12 LYS 2.19 -0.77 1 13 LEU 3.24 -1.04 1 14 SER 3.09 -0.79 1 15 LEU -0.67 -0.04 1 16 MET -1.45 -0.67 1 18 TRP -5.92 1.20 1 19 PHE 1.03 -0.73 1 20 HIS -2.97 4.56 1 22 LYS 2.16 -2.17 1 23 ILE -3.45 1.95 1 24 SER -3.32 2.22 1 26 GLN 4.58 -1.28 1 27 GLU 0.16 0.03 1 28 ALA 2.09 0.60 1 29 ILE 4.57 -0.25 1 30 GLN 3.18 -1.08 1 31 GLN 1.56 -0.06 1 32 LEU 0.71 -2.85 1 33 GLN -4.25 1.93 1 36 GLU -3.67 3.20 1 37 ASP 3.17 -1.35 1 39 LEU -2.27 2.16 1 40 PHE -7.02 5.35 1 41 LEU -2.97 2.46 1 42 VAL -3.43 2.24 1 43 ARG -7.55 3.93 1 44 GLU -3.93 2.63 1 45 SER -0.51 -0.19 1 46 ALA 0.59 0.38 1 47 ARG 1.08 0.28 1 48 HIS -1.65 0.53 1 51 ASP -1.28 0.06 1 52 TYR -4.20 2.89 1 53 VAL -3.23 2.64 1 54 LEU -3.22 2.18 1 56 VAL -5.84 3.24 1 57 SER -1.51 0.61 1 58 PHE -2.26 2.96 1 60 ARG 4.52 -2.98 1 61 ASP -5.28 3.46 1 62 VAL -0.97 0.62 1 63 ILE -0.65 -1.25 1 64 HIS -3.81 3.40 1 65 TYR -2.56 1.65 1 66 ARG 1.96 -0.84 1 67 VAL 1.83 -2.02 1 68 LEU -1.20 0.49 1 69 HIS -2.01 1.50 1 70 ARG -3.25 1.61 1 71 ASP 2.57 -1.22 1 73 HIS -3.94 3.53 1 74 LEU -4.28 2.57 1 75 THR -0.22 -0.17 1 76 ILE -2.84 4.75 1 77 ASP -2.23 1.62 1 78 GLU 4.82 -2.02 1 79 ALA -1.08 1.97 1 80 VAL -1.32 0.13 1 82 PHE -6.74 4.96 1 84 ASN -2.38 1.66 1 85 LEU 0.12 1.77 1 86 MET 7.30 -2.10 1 87 ASP 3.34 -0.55 1 88 MET 1.96 0.84 1 89 VAL 5.26 -1.04 1 90 GLU 3.78 -0.58 1 91 HIS 3.22 2.44 1 92 TYR 3.74 -1.44 1 93 THR 2.68 -0.27 1 94 ARG 0.92 0.48 1 95 ASP -4.08 3.27 1 96 LYS 2.34 -0.59 1 98 ALA -1.52 1.80 1 99 ILE -1.44 1.35 1 101 THR -1.63 -0.37 1 102 LYS 1.25 -0.14 1 103 LEU 3.54 -4.05 1 104 VAL -0.23 1.78 1 105 LYS -4.66 3.16 1 107 LYS -0.90 -1.51 1 108 ARG 0.73 -0.34 1 109 LYS 0.75 -0.77 1 110 GLN 0.22 0.13 1 112 ALA -0.72 0.60 1 113 LYS -0.05 0.24 1 114 SER -1.31 1.01 1 115 ALA 1.29 -0.20 1 116 GLU 1.17 -0.17 1 118 GLU -0.03 0.57 1 119 LEU 0.13 0.16 1 120 ALA 0.28 -0.20 1 121 LYS -0.24 0.03 1 122 ALA -0.72 0.60 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5504_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.55 _LACS_plot.Line_1_terminator_val_y_1 0.86 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.22 _LACS_plot.Line_2_terminator_val_x_2 7.30 _LACS_plot.Line_2_terminator_val_y_2 -0.71 _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 88 MET 1.96 -2.62 0 10 ASP -0.88 -0.07 1 12 LYS 2.19 -0.21 1 13 LEU 3.24 -0.56 1 14 SER 3.09 -0.28 1 15 LEU -0.67 -0.02 1 16 MET -1.45 -0.76 1 18 TRP -5.92 0.11 1 19 PHE 1.03 0.80 1 20 HIS -2.97 -0.38 1 22 LYS 2.16 0.46 1 23 ILE -3.45 0.59 1 24 SER -3.32 0.17 1 26 GLN 4.58 -0.24 1 27 GLU 0.16 -0.25 1 28 ALA 2.09 -0.60 1 29 ILE 4.57 -0.62 1 30 GLN 3.18 -0.36 1 31 GLN 1.56 -0.32 1 32 LEU 0.71 -0.01 1 33 GLN -4.25 -0.29 1 36 GLU -3.67 -0.08 1 37 ASP 3.17 0.19 1 39 LEU -2.27 1.28 1 40 PHE -7.02 1.47 1 41 LEU -2.97 0.65 1 42 VAL -3.43 1.32 1 43 ARG -7.55 1.02 1 44 GLU -3.93 0.50 1 45 SER -0.51 0.00 1 46 ALA 0.59 0.47 1 47 ARG 1.08 -0.30 1 48 HIS -1.65 -0.07 1 51 ASP -1.28 0.50 1 52 TYR -4.20 0.97 1 53 VAL -3.23 0.83 1 54 LEU -3.22 0.69 1 56 VAL -5.84 0.90 1 57 SER -1.51 0.74 1 58 PHE -2.26 0.44 1 60 ARG 4.52 -0.67 1 61 ASP -5.28 0.41 1 62 VAL -0.97 0.52 1 63 ILE -0.65 0.01 1 64 HIS -3.81 0.28 1 65 TYR -2.56 0.21 1 66 ARG 1.96 0.06 1 67 VAL 1.83 0.04 1 68 LEU -1.20 0.13 1 69 HIS -2.01 0.73 1 70 ARG -3.25 0.20 1 71 ASP 2.57 -0.33 1 73 HIS -3.94 0.41 1 74 LEU -4.28 1.40 1 75 THR -0.22 0.48 1 76 ILE -2.84 0.63 1 77 ASP -2.23 -0.01 1 78 GLU 4.82 -0.73 1 79 ALA -1.08 0.10 1 80 VAL -1.32 -0.01 1 82 PHE -6.74 0.47 1 84 ASN -2.38 -0.07 1 85 LEU 0.12 -0.46 1 86 MET 7.30 -0.22 1 87 ASP 3.34 -0.30 1 89 VAL 5.26 -1.19 1 90 GLU 3.78 -0.51 1 91 HIS 3.22 -0.76 1 92 TYR 3.74 0.53 1 93 THR 2.68 0.32 1 94 ARG 0.92 -0.12 1 95 ASP -4.08 -0.11 1 96 LYS 2.34 -0.46 1 98 ALA -1.52 0.04 1 99 ILE -1.44 0.12 1 101 THR -1.63 -0.25 1 102 LYS 1.25 -0.19 1 103 LEU 3.54 -0.44 1 104 VAL -0.23 0.12 1 105 LYS -4.66 0.44 1 107 LYS -0.90 0.22 1 108 ARG 0.73 -0.10 1 109 LYS 0.75 -0.57 1 110 GLN 0.22 -0.05 1 112 ALA -0.72 0.47 1 113 LYS -0.05 0.07 1 114 SER -1.31 -0.01 1 115 ALA 1.29 0.01 1 116 GLU 1.17 -0.14 1 117 GLU 4.37 -0.18 1 118 GLU -0.03 -0.10 1 119 LEU 0.13 -0.05 1 120 ALA 0.28 -0.03 1 121 LYS -0.24 -0.03 1 122 ALA -0.72 0.05 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5504_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.55 _LACS_plot.Line_1_terminator_val_y_1 -1.91 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.43 _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 7.30 _LACS_plot.Line_2_terminator_val_y_2 1.78 _LACS_plot.Y_axis_chem_shift_offset 0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 101 THR -1.63 -4.76 0 32 LEU 0.71 -4.26 0 78 GLU 4.82 -2.76 0 10 ASP -0.88 0.30 1 12 LYS 2.19 1.62 1 13 LEU 3.24 0.89 1 14 SER 3.09 0.48 1 15 LEU -0.67 0.08 1 16 MET -1.45 1.53 1 18 TRP -5.92 0.12 1 19 PHE 1.03 -0.90 1 20 HIS -2.97 0.89 1 22 LYS 2.16 -0.66 1 23 ILE -3.45 -0.74 1 24 SER -3.32 1.02 1 26 GLN 4.58 3.03 1 27 GLU 0.16 2.59 1 28 ALA 2.09 0.73 1 29 ILE 4.57 2.13 1 30 GLN 3.18 2.49 1 31 GLN 1.56 1.76 1 33 GLN -4.25 0.43 1 36 GLU -3.67 -1.89 1 37 ASP 3.17 2.15 1 39 LEU -2.27 -0.79 1 40 PHE -7.02 -3.78 1 41 LEU -2.97 -2.97 1 42 VAL -3.43 -2.73 1 43 ARG -7.55 -2.40 1 44 GLU -3.93 -1.30 1 45 SER -0.51 0.74 1 46 ALA 0.59 0.15 1 47 ARG 1.08 -0.09 1 48 HIS -1.65 -2.05 1 51 ASP -1.28 -0.36 1 52 TYR -4.20 -1.19 1 53 VAL -3.23 -1.56 1 54 LEU -3.22 -3.23 1 56 VAL -5.84 -2.46 1 57 SER -1.51 -0.11 1 58 PHE -2.26 0.77 1 60 ARG 4.52 -2.09 1 61 ASP -5.28 0.62 1 62 VAL -0.97 -1.73 1 63 ILE -0.65 -2.31 1 64 HIS -3.81 1.31 1 65 TYR -2.56 -1.07 1 66 ARG 1.96 -1.70 1 67 VAL 1.83 -1.12 1 68 LEU -1.20 -1.11 1 69 HIS -2.01 1.62 1 70 ARG -3.25 0.63 1 71 ASP 2.57 -0.20 1 73 HIS -3.94 -0.86 1 74 LEU -4.28 -0.13 1 75 THR -0.22 -4.30 1 76 ILE -2.84 -2.22 1 77 ASP -2.23 0.96 1 79 ALA -1.08 -0.43 1 80 VAL -1.32 -0.84 1 82 PHE -6.74 0.53 1 84 ASN -2.38 -0.33 1 85 LEU 0.12 0.34 1 86 MET 7.30 2.39 1 87 ASP 3.34 2.13 1 88 MET 1.96 0.01 1 89 VAL 5.26 2.14 1 90 GLU 3.78 2.56 1 91 HIS 3.22 4.01 1 92 TYR 3.74 0.07 1 93 THR 2.68 0.60 1 94 ARG 0.92 -0.01 1 95 ASP -4.08 -3.01 1 96 LYS 2.34 -1.10 1 98 ALA -1.52 1.20 1 99 ILE -1.44 -0.24 1 102 LYS 1.25 0.29 1 103 LEU 3.54 -0.79 1 104 VAL -0.23 -0.30 1 105 LYS -4.66 -3.36 1 107 LYS -0.90 -1.23 1 108 ARG 0.73 0.20 1 109 LYS 0.75 -0.63 1 110 GLN 0.22 0.36 1 112 ALA -0.72 0.02 1 113 LYS -0.05 0.15 1 114 SER -1.31 -0.01 1 115 ALA 1.29 0.71 1 116 GLU 1.17 0.77 1 117 GLU 4.37 0.48 1 118 GLU -0.03 0.48 1 119 LEU 0.13 -0.10 1 120 ALA 0.28 -0.04 1 121 LYS -0.24 -0.36 1 122 ALA -0.72 -0.71 1 stop_ save_