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 bmr16977_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.70 _LACS_plot.Line_1_terminator_val_y_1 -2.53 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.31 _LACS_plot.Line_2_terminator_val_x_2 6.57 _LACS_plot.Line_2_terminator_val_y_2 5.18 _LACS_plot.Y_axis_chem_shift_offset -0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 82 ARG -6.70 -2.00 0 92 MET -6.27 -1.34 0 10 THR -3.89 -1.29 1 11 ASP 3.85 3.86 1 12 ASP 3.02 2.98 1 13 ASP 3.91 3.91 1 14 PHE 6.32 5.38 1 15 GLN 4.08 2.93 1 16 PHE 5.18 4.35 1 17 LEU 4.09 3.14 1 18 SER 4.59 3.63 1 19 ASP 4.70 3.14 1 20 VAL 6.44 5.02 1 21 LEU 2.39 1.63 1 22 ASP -0.27 0.42 1 24 ARG -0.73 0.55 1 25 ALA -5.08 -1.38 1 26 VAL -3.25 -1.87 1 27 ARG -2.59 -2.27 1 28 SER 2.52 2.17 1 29 ALA 2.13 1.79 1 30 MET 1.64 0.39 1 31 ASN 2.08 2.21 1 32 LEU 0.91 0.50 1 33 ARG -3.53 -1.37 1 34 ALA -0.34 -0.47 1 35 ALA 0.02 0.01 1 36 LEU -2.31 -0.70 1 37 THR 3.48 3.20 1 39 PHE 2.58 3.38 1 40 GLN 6.57 5.59 1 41 VAL 4.11 2.90 1 42 ALA 3.71 3.00 1 43 GLN 4.93 4.28 1 44 TYR 5.55 4.74 1 45 ARG 4.26 3.31 1 46 ASN 4.79 3.98 1 47 ILE 4.12 3.39 1 48 LEU 3.40 4.16 1 49 ASN 3.64 2.64 1 50 ALA 4.11 3.92 1 51 SER 3.12 2.48 1 52 LEU 2.89 2.36 1 53 GLN 0.76 -0.53 1 54 VAL 0.68 0.78 1 55 ASP 1.70 0.90 1 56 ARG -0.64 -1.07 1 57 ASP 2.59 2.18 1 58 ALA 3.42 2.45 1 59 ALA 4.41 3.48 1 60 ARG 3.92 3.34 1 61 SER 4.52 3.75 1 62 ARG 3.99 3.38 1 63 ARG 4.83 2.93 1 64 LEU 4.35 3.49 1 65 MET 3.36 2.22 1 66 ALA 1.57 1.84 1 67 LYS 3.15 2.48 1 68 LEU 3.44 2.59 1 69 ALA -1.19 -0.56 1 70 ASP 0.54 1.14 1 71 PHE 2.52 0.67 1 72 ALA 2.23 1.17 1 73 VAL 0.65 0.68 1 74 GLU -3.74 -1.14 1 75 GLN 0.39 0.56 1 76 GLU -2.79 -1.18 1 77 VAL -4.89 -2.68 1 78 THR 2.44 1.29 1 79 ALA -1.23 0.57 1 81 ASP -4.94 -0.86 1 83 VAL -3.94 -3.55 1 84 VAL -0.85 -1.62 1 85 VAL 3.81 3.02 1 86 ILE -4.36 -0.48 1 89 LEU -0.54 0.49 1 90 ASP -3.87 -2.04 1 91 ARG 0.29 1.21 1 93 ALA 3.38 4.70 1 94 HIS -2.16 -0.28 1 95 PHE -2.35 -0.79 1 96 LYS 4.93 2.96 1 97 ASP 0.24 -1.05 1 98 ASP -3.78 -1.46 1 99 LEU -4.70 -2.29 1 100 VAL -2.86 -2.20 1 101 LEU -2.38 -0.81 1 102 VAL -0.32 1.15 1 104 LEU -1.79 -0.15 1 105 THR -1.69 -0.35 1 106 THR -4.20 -1.39 1 107 LYS 1.65 0.30 1 108 VAL -2.78 -0.90 1 109 VAL -2.75 -1.07 1 112 SER 1.51 1.98 1 113 ARG -2.46 -0.37 1 115 THR 1.20 1.57 1 116 ILE -1.71 0.49 1 118 ASP 1.22 -0.42 1 119 VAL -5.15 -2.32 1 120 VAL -0.71 -0.12 1 121 LYS -0.37 0.48 1 122 GLU -0.07 1.53 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16977_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.70 _LACS_plot.Line_1_terminator_val_y_1 4.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.88 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.69 _LACS_plot.Line_2_terminator_val_x_2 6.57 _LACS_plot.Line_2_terminator_val_y_2 -1.39 _LACS_plot.Y_axis_chem_shift_offset -0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 82 ARG -6.70 4.70 0 92 MET -6.27 4.93 0 10 THR -3.89 2.60 1 11 ASP 3.85 0.01 1 12 ASP 3.02 -0.04 1 13 ASP 3.91 0.00 1 14 PHE 6.32 -0.94 1 15 GLN 4.08 -1.15 1 16 PHE 5.18 -0.83 1 17 LEU 4.09 -0.95 1 18 SER 4.59 -0.96 1 19 ASP 4.70 -1.56 1 20 VAL 6.44 -1.42 1 21 LEU 2.39 -0.76 1 22 ASP -0.27 0.69 1 24 ARG -0.73 1.28 1 25 ALA -5.08 3.70 1 26 VAL -3.25 1.38 1 27 ARG -2.59 0.32 1 28 SER 2.52 -0.35 1 29 ALA 2.13 -0.34 1 30 MET 1.64 -1.25 1 31 ASN 2.08 0.13 1 32 LEU 0.91 -0.41 1 33 ARG -3.53 2.16 1 34 ALA -0.34 -0.13 1 35 ALA 0.02 -0.01 1 36 LEU -2.31 1.61 1 37 THR 3.48 -0.28 1 39 PHE 2.58 0.80 1 40 GLN 6.57 -0.98 1 41 VAL 4.11 -1.21 1 42 ALA 3.71 -0.71 1 43 GLN 4.93 -0.65 1 44 TYR 5.55 -0.81 1 45 ARG 4.26 -0.95 1 46 ASN 4.79 -0.81 1 47 ILE 4.12 -0.73 1 48 LEU 3.40 0.76 1 49 ASN 3.64 -1.00 1 50 ALA 4.11 -0.19 1 51 SER 3.12 -0.64 1 52 LEU 2.89 -0.53 1 53 GLN 0.76 -1.29 1 54 VAL 0.68 0.10 1 55 ASP 1.70 -0.80 1 56 ARG -0.64 -0.43 1 57 ASP 2.59 -0.41 1 58 ALA 3.42 -0.97 1 59 ALA 4.41 -0.93 1 60 ARG 3.92 -0.58 1 61 SER 4.52 -0.77 1 62 ARG 3.99 -0.61 1 63 ARG 4.83 -1.90 1 64 LEU 4.35 -0.86 1 65 MET 3.36 -1.14 1 66 ALA 1.57 0.27 1 67 LYS 3.15 -0.67 1 68 LEU 3.44 -0.85 1 69 ALA -1.19 0.63 1 70 ASP 0.54 0.60 1 71 PHE 2.52 -1.85 1 72 ALA 2.23 -1.06 1 73 VAL 0.65 0.03 1 74 GLU -3.74 2.60 1 75 GLN 0.39 0.17 1 76 GLU -2.79 1.61 1 77 VAL -4.89 2.21 1 78 THR 2.44 -1.15 1 79 ALA -1.23 1.80 1 81 ASP -4.94 4.08 1 83 VAL -3.94 0.39 1 84 VAL -0.85 -0.77 1 85 VAL 3.81 -0.79 1 86 ILE -4.36 3.88 1 89 LEU -0.54 1.03 1 90 ASP -3.87 1.83 1 91 ARG 0.29 0.92 1 93 ALA 3.38 1.32 1 94 HIS -2.16 1.88 1 95 PHE -2.35 1.56 1 96 LYS 4.93 -1.97 1 97 ASP 0.24 -1.29 1 98 ASP -3.78 2.32 1 99 LEU -4.70 2.41 1 100 VAL -2.86 0.66 1 101 LEU -2.38 1.57 1 102 VAL -0.32 1.47 1 104 LEU -1.79 1.64 1 105 THR -1.69 1.34 1 106 THR -4.20 2.81 1 107 LYS 1.65 -1.35 1 108 VAL -2.78 1.88 1 109 VAL -2.75 1.68 1 112 SER 1.51 0.47 1 113 ARG -2.46 2.09 1 115 THR 1.20 0.37 1 116 ILE -1.71 2.20 1 118 ASP 1.22 -1.64 1 119 VAL -5.15 2.83 1 120 VAL -0.71 0.59 1 121 LYS -0.37 0.85 1 122 GLU -0.07 1.60 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16977_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.70 _LACS_plot.Line_1_terminator_val_y_1 0.58 _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 0.20 _LACS_plot.Line_2_terminator_val_x_2 6.57 _LACS_plot.Line_2_terminator_val_y_2 -0.59 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 105 THR -1.69 1.31 0 10 THR -3.89 0.36 1 11 ASP 3.85 0.49 1 12 ASP 3.02 -0.20 1 13 ASP 3.91 -0.35 1 14 PHE 6.32 -0.47 1 15 GLN 4.08 -0.37 1 16 PHE 5.18 -0.33 1 17 LEU 4.09 -0.60 1 18 SER 4.59 -0.63 1 19 ASP 4.70 -0.43 1 20 VAL 6.44 -0.77 1 21 LEU 2.39 -0.33 1 22 ASP -0.27 0.20 1 24 ARG -0.73 -0.15 1 25 ALA -5.08 0.35 1 26 VAL -3.25 0.80 1 27 ARG -2.59 0.53 1 28 SER 2.52 -0.53 1 29 ALA 2.13 -0.29 1 30 MET 1.64 -0.13 1 31 ASN 2.08 -0.25 1 32 LEU 0.91 -0.09 1 33 ARG -3.53 0.15 1 34 ALA -0.34 -0.02 1 35 ALA 0.02 -0.01 1 36 LEU -2.31 0.06 1 37 THR 3.48 -0.24 1 39 PHE 2.58 -0.36 1 40 GLN 6.57 -0.66 1 41 VAL 4.11 -0.30 1 42 ALA 3.71 -0.38 1 43 GLN 4.93 -0.23 1 44 TYR 5.55 -0.66 1 45 ARG 4.26 -0.28 1 46 ASN 4.79 -0.41 1 47 ILE 4.12 -0.55 1 48 LEU 3.40 -0.64 1 49 ASN 3.64 -0.29 1 50 ALA 4.11 -0.16 1 51 SER 3.12 -0.17 1 52 LEU 2.89 -0.35 1 53 GLN 0.76 0.15 1 54 VAL 0.68 -0.77 1 55 ASP 1.70 -0.22 1 56 ARG -0.64 -0.11 1 57 ASP 2.59 -0.29 1 58 ALA 3.42 -0.28 1 59 ALA 4.41 -0.45 1 60 ARG 3.92 -0.18 1 61 SER 4.52 -0.33 1 62 ARG 3.99 -0.22 1 63 ARG 4.83 -0.29 1 64 LEU 4.35 -0.50 1 65 MET 3.36 -0.10 1 66 ALA 1.57 0.01 1 67 LYS 3.15 -0.36 1 68 LEU 3.44 -0.25 1 69 ALA -1.19 0.23 1 70 ASP 0.54 -0.13 1 71 PHE 2.52 -0.84 1 72 ALA 2.23 -0.22 1 73 VAL 0.65 -0.07 1 74 GLU -3.74 0.31 1 75 GLN 0.39 -0.12 1 76 GLU -2.79 0.43 1 77 VAL -4.89 0.21 1 78 THR 2.44 -0.52 1 79 ALA -1.23 0.22 1 81 ASP -4.94 1.10 1 82 ARG -6.70 0.33 1 83 VAL -3.94 1.14 1 84 VAL -0.85 0.67 1 85 VAL 3.81 -0.03 1 86 ILE -4.36 0.21 1 89 LEU -0.54 0.00 1 90 ASP -3.87 0.24 1 91 ARG 0.29 0.37 1 92 MET -6.27 0.48 1 93 ALA 3.38 -0.45 1 94 HIS -2.16 0.05 1 95 PHE -2.35 -0.13 1 96 LYS 4.93 -0.40 1 97 ASP 0.24 0.25 1 98 ASP -3.78 0.93 1 99 LEU -4.70 0.42 1 100 VAL -2.86 0.69 1 101 LEU -2.38 -0.01 1 102 VAL -0.32 0.33 1 104 LEU -1.79 0.28 1 106 THR -4.20 -0.06 1 107 LYS 1.65 0.21 1 108 VAL -2.78 0.06 1 109 VAL -2.75 0.37 1 112 SER 1.51 -0.28 1 113 ARG -2.46 1.22 1 115 THR 1.20 0.12 1 116 ILE -1.71 0.37 1 118 ASP 1.22 0.50 1 119 VAL -5.15 0.46 1 120 VAL -0.71 0.45 1 121 LYS -0.37 -0.17 1 122 GLU -0.07 -0.20 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16977_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.70 _LACS_plot.Line_1_terminator_val_y_1 -3.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.66 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.19 _LACS_plot.Line_2_terminator_val_x_2 6.57 _LACS_plot.Line_2_terminator_val_y_2 2.66 _LACS_plot.Y_axis_chem_shift_offset 0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 10 THR -3.89 0.95 0 96 LYS 4.93 -1.21 0 85 VAL 3.81 -2.17 0 11 ASP 3.85 2.05 1 12 ASP 3.02 2.73 1 13 ASP 3.91 1.92 1 14 PHE 6.32 2.18 1 15 GLN 4.08 1.49 1 16 PHE 5.18 1.18 1 17 LEU 4.09 0.59 1 18 SER 4.59 1.85 1 19 ASP 4.70 3.98 1 20 VAL 6.44 2.18 1 21 LEU 2.39 -0.97 1 22 ASP -0.27 1.53 1 24 ARG -0.73 -1.38 1 25 ALA -5.08 -3.40 1 26 VAL -3.25 -0.42 1 27 ARG 2.52 0.71 1 29 ALA 2.13 1.31 1 30 MET 1.64 0.23 1 31 ASN 2.08 -1.00 1 32 LEU 0.91 0.32 1 33 ARG -3.53 -2.37 1 34 ALA -0.34 0.91 1 35 ALA 0.02 0.75 1 36 LEU 3.48 1.87 1 39 PHE 2.58 3.34 1 40 GLN 6.57 1.13 1 41 VAL 4.11 2.48 1 42 ALA 3.71 2.86 1 43 GLN 4.93 2.12 1 44 TYR 5.55 1.90 1 45 ARG 4.26 3.14 1 46 ASN 4.79 2.64 1 47 ILE 4.12 1.25 1 48 LEU 3.40 1.61 1 49 ASN 3.64 2.79 1 50 ALA 4.11 0.45 1 51 SER 3.12 2.33 1 52 LEU 2.89 0.97 1 53 GLN 0.76 -0.38 1 54 VAL 0.68 0.81 1 55 ASP 1.70 0.04 1 56 ARG -0.64 -1.39 1 57 ASP 2.59 2.03 1 58 ALA 3.42 2.76 1 59 ALA 4.41 1.49 1 60 ARG 3.92 2.53 1 61 SER 4.52 3.27 1 62 ARG 3.99 2.91 1 63 ARG 4.83 1.62 1 64 LEU 4.35 3.11 1 65 MET 3.36 2.11 1 66 ALA 1.57 2.26 1 67 LYS 3.15 0.57 1 68 LEU 3.44 0.53 1 69 ALA -1.19 -0.59 1 70 ASP 0.54 -0.03 1 71 PHE 2.52 -1.37 1 72 ALA 2.23 0.34 1 73 VAL 0.65 -0.97 1 74 GLU -3.74 -1.46 1 75 GLN 0.39 -0.80 1 76 GLU -2.79 -1.59 1 77 VAL -4.89 -1.70 1 78 THR 2.44 0.55 1 79 ALA -1.23 -2.60 1 81 ASP -4.94 -0.65 1 82 ARG -6.70 -2.43 1 83 VAL -3.94 -3.71 1 84 VAL -0.85 -2.07 1 86 ILE -4.36 -2.00 1 89 LEU -0.54 -1.39 1 90 ASP -3.87 -3.21 1 91 ARG 0.29 -0.37 1 92 MET -6.27 -1.98 1 93 ALA 3.38 -0.41 1 94 HIS -2.16 -2.79 1 95 PHE -2.35 -2.25 1 97 ASP 0.24 -1.79 1 98 ASP -3.78 -1.13 1 99 LEU -4.70 -2.09 1 100 VAL -2.86 -1.48 1 101 LEU -0.32 -0.61 1 104 LEU -1.79 -2.72 1 105 THR -1.69 -1.29 1 106 THR -4.20 -2.63 1 107 LYS 1.65 -0.50 1 108 VAL -2.78 0.17 1 109 VAL -2.75 -1.56 1 112 SER 1.51 -2.33 1 113 ARG -2.46 0.39 1 115 THR 1.20 -1.51 1 116 ILE -1.71 -0.90 1 118 ASP 1.22 -0.19 1 119 VAL -5.15 -2.24 1 120 VAL -0.71 0.20 1 121 LYS -0.37 -1.57 1 stop_ save_