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 bmr4568_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -0.86 _LACS_plot.Line_1_terminator_val_y_1 -0.43 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.46 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.28 _LACS_plot.Line_2_terminator_val_x_2 4.47 _LACS_plot.Line_2_terminator_val_y_2 3.22 _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 10 VAL 4.09 4.23 0 11 LEU 3.66 2.62 1 14 TRP 2.27 2.10 1 15 ALA 2.69 1.90 1 16 LYS 2.28 1.47 1 18 GLU 2.42 1.23 1 19 ALA 1.74 1.27 1 20 ASP 1.22 0.84 1 21 VAL 1.82 1.19 1 22 ALA 0.85 0.58 1 24 HIS 0.81 0.77 1 26 GLN 2.17 1.80 1 27 ASP 2.08 1.65 1 28 ILE 2.99 2.20 1 29 LEU 2.92 2.15 1 30 ILE 3.86 2.67 1 31 ARG 3.53 2.63 1 32 LEU 2.43 2.12 1 33 PHE 1.28 0.63 1 34 LYS 1.83 1.44 1 35 SER 0.71 0.77 1 38 GLU 2.42 1.14 1 39 THR 1.94 1.58 1 40 LEU 1.05 0.90 1 41 GLU 1.22 0.83 1 42 LYS 1.07 0.60 1 43 PHE 0.70 0.50 1 44 ASP 0.80 0.67 1 45 ARG 2.24 1.34 1 46 PHE 1.25 0.57 1 47 LYS 1.71 1.08 1 48 HIS 0.84 0.81 1 49 LEU 0.42 0.55 1 50 LYS 0.69 0.60 1 52 GLU 1.72 1.31 1 53 ALA 1.39 1.34 1 54 GLU 1.08 0.93 1 55 MET 1.66 1.38 1 56 LYS 1.33 1.03 1 57 ALA 1.23 0.95 1 58 SER 1.66 1.28 1 59 GLU 1.24 1.06 1 60 ASP 1.55 1.24 1 61 LEU 2.22 1.70 1 62 LYS 1.99 1.15 1 63 LYS 1.24 0.88 1 64 HIS 0.64 0.81 1 66 VAL 0.86 0.61 1 67 THR 0.79 0.66 1 68 VAL 1.44 1.07 1 69 LEU 1.12 0.90 1 70 THR 1.44 1.10 1 71 ALA 1.35 0.96 1 72 LEU 1.36 1.21 1 74 ALA 1.12 0.98 1 75 ILE 1.61 1.19 1 76 LEU 1.13 0.74 1 77 LYS 0.77 0.55 1 78 LYS 0.45 0.32 1 79 LYS 0.30 0.24 1 81 HIS -0.02 0.33 1 82 HIS 0.21 0.44 1 83 GLU 0.11 0.23 1 84 ALA -0.18 0.05 1 85 GLU -0.63 -0.34 1 86 LEU -0.27 -0.14 1 89 LEU 0.19 0.23 1 90 ALA -0.08 0.03 1 91 GLN -0.05 0.13 1 92 SER 0.33 0.36 1 93 HIS 0.25 0.31 1 94 ALA 0.19 0.20 1 95 THR -0.19 -0.11 1 96 LYS -0.03 0.03 1 97 HIS -0.70 -0.03 1 98 LYS -0.02 0.11 1 101 ILE 2.21 1.77 1 102 LYS 2.90 1.91 1 103 TYR 2.47 1.86 1 104 LEU 3.11 2.20 1 105 GLU 3.21 2.41 1 106 PHE 3.09 2.36 1 107 ILE 3.58 2.47 1 108 SER 4.48 3.63 1 109 GLU 3.20 2.10 1 110 ALA 3.28 2.40 1 111 ILE 3.92 3.12 1 112 ILE 4.44 3.01 1 114 VAL 4.09 3.07 1 115 LEU 2.10 1.59 1 116 HIS 1.21 0.93 1 117 SER 0.68 0.74 1 118 ARG 0.00 0.00 1 122 ASP 0.31 0.20 1 123 PHE 0.18 0.01 1 125 ALA 0.92 0.93 1 126 ASP 0.80 0.23 1 127 ALA 1.68 1.44 1 128 GLN 2.66 2.01 1 130 ALA 2.00 1.86 1 131 MET 1.95 1.62 1 132 ASN 3.10 2.38 1 133 LYS 3.41 2.41 1 134 ALA 3.19 2.40 1 137 LEU 2.95 2.20 1 138 PHE 2.34 2.06 1 139 ARG 3.53 3.16 1 140 LYS 2.53 1.91 1 141 ASP 2.53 1.81 1 142 ILE 3.12 1.77 1 143 ALA 2.52 1.92 1 144 ALA 1.90 1.48 1 145 LYS 1.80 1.07 1 146 TYR 1.94 1.24 1 148 GLU 1.16 0.74 1 149 LEU 0.10 0.27 1 151 TYR 0.02 0.01 1 152 GLN -0.86 -0.30 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4568_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -0.86 _LACS_plot.Line_1_terminator_val_y_1 0.43 _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 0.72 _LACS_plot.Line_2_terminator_val_x_2 4.47 _LACS_plot.Line_2_terminator_val_y_2 -1.25 _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 10 VAL 4.09 0.14 0 11 LEU 3.66 -1.04 1 14 TRP 2.27 -0.17 1 15 ALA 2.69 -0.79 1 16 LYS 2.28 -0.81 1 18 GLU 2.42 -1.19 1 19 ALA 1.74 -0.47 1 20 ASP 1.22 -0.38 1 21 VAL 1.82 -0.63 1 22 ALA 0.85 -0.27 1 24 HIS 0.81 -0.04 1 26 GLN 2.17 -0.37 1 27 ASP 2.08 -0.43 1 28 ILE 2.99 -0.79 1 29 LEU 2.92 -0.77 1 30 ILE 3.86 -1.19 1 31 ARG 3.53 -0.90 1 32 LEU 2.43 -0.31 1 33 PHE 1.28 -0.65 1 34 LYS 1.83 -0.39 1 35 SER 0.71 0.06 1 38 GLU 2.42 -1.28 1 39 THR 1.94 -0.36 1 40 LEU 1.05 -0.15 1 41 GLU 1.22 -0.39 1 42 LYS 1.07 -0.47 1 43 PHE 0.70 -0.20 1 44 ASP 0.80 -0.13 1 45 ARG 2.24 -0.90 1 46 PHE 1.25 -0.68 1 47 LYS 1.71 -0.63 1 48 HIS 0.84 -0.03 1 49 LEU 0.42 0.13 1 50 LYS 0.69 -0.09 1 52 GLU 1.72 -0.41 1 53 ALA 1.39 -0.05 1 54 GLU 1.08 -0.15 1 55 MET 1.66 -0.28 1 56 LYS 1.33 -0.30 1 57 ALA 1.23 -0.28 1 58 SER 1.66 -0.38 1 59 GLU 1.24 -0.18 1 60 ASP 1.55 -0.31 1 61 LEU 2.22 -0.52 1 62 LYS 1.99 -0.84 1 63 LYS 1.24 -0.36 1 64 HIS 0.64 0.17 1 66 VAL 0.86 -0.25 1 67 THR 0.79 -0.13 1 68 VAL 1.44 -0.37 1 69 LEU 1.12 -0.22 1 70 THR 1.44 -0.34 1 71 ALA 1.35 -0.39 1 72 LEU 1.36 -0.15 1 74 ALA 1.12 -0.14 1 75 ILE 1.61 -0.42 1 76 LEU 1.13 -0.39 1 77 LYS 0.77 -0.22 1 78 LYS 0.45 -0.13 1 79 LYS 0.30 -0.06 1 81 HIS -0.02 0.35 1 82 HIS 0.21 0.23 1 83 GLU 0.11 0.12 1 84 ALA -0.18 0.23 1 85 GLU -0.63 0.29 1 86 LEU -0.27 0.13 1 89 LEU 0.19 0.04 1 90 ALA -0.08 0.11 1 91 GLN -0.05 0.18 1 92 SER 0.33 0.03 1 93 HIS 0.25 0.06 1 94 ALA 0.19 0.01 1 95 THR -0.19 0.08 1 96 LYS -0.03 0.06 1 97 HIS -0.70 0.67 1 98 LYS -0.02 0.13 1 101 ILE 2.21 -0.44 1 102 LYS 2.90 -0.99 1 103 TYR 2.47 -0.61 1 104 LEU 3.11 -0.91 1 105 GLU 3.21 -0.80 1 106 PHE 3.09 -0.73 1 107 ILE 3.58 -1.11 1 108 SER 4.48 -0.85 1 109 GLU 3.20 -1.10 1 110 ALA 3.28 -0.88 1 111 ILE 3.92 -0.80 1 112 ILE 4.44 -1.43 1 114 VAL 4.09 -1.02 1 115 LEU 2.10 -0.51 1 116 HIS 1.21 -0.28 1 117 SER 0.68 0.06 1 118 ARG 0.00 0.00 1 122 ASP 0.31 -0.11 1 123 PHE 0.18 -0.17 1 125 ALA 0.92 0.01 1 126 ASP 0.80 -0.57 1 127 ALA 1.68 -0.24 1 128 GLN 2.66 -0.65 1 130 ALA 2.00 -0.14 1 131 MET 1.95 -0.33 1 132 ASN 3.10 -0.72 1 133 LYS 3.41 -1.00 1 134 ALA 3.19 -0.79 1 137 LEU 2.95 -0.75 1 138 PHE 2.34 -0.28 1 139 ARG 3.53 -0.37 1 140 LYS 2.53 -0.62 1 141 ASP 2.53 -0.72 1 142 ILE 3.12 -1.35 1 143 ALA 2.52 -0.60 1 144 ALA 1.90 -0.42 1 145 LYS 1.80 -0.73 1 146 TYR 1.94 -0.70 1 148 GLU 1.16 -0.42 1 149 LEU 0.10 0.17 1 151 TYR 0.02 -0.01 1 152 GLN -0.86 0.56 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4568_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -0.86 _LACS_plot.Line_1_terminator_val_y_1 0.02 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.24 _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 4.47 _LACS_plot.Line_2_terminator_val_y_2 -0.46 _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 97 HIS -0.70 0.19 0 107 ILE 3.58 -0.60 0 11 LEU 3.66 -0.39 1 14 TRP 2.27 -0.37 1 15 ALA 2.69 -0.41 1 16 LYS 2.28 -0.23 1 19 ALA 1.74 -0.22 1 20 ASP 1.22 -0.10 1 21 VAL 1.82 -0.19 1 22 ALA 0.85 -0.16 1 24 HIS 0.81 -0.02 1 26 GLN 2.17 -0.21 1 27 ASP 2.08 -0.23 1 28 ILE 2.99 -0.36 1 29 LEU 2.92 -0.39 1 30 ILE 3.86 -0.42 1 31 ARG 3.53 -0.29 1 32 LEU 2.43 -0.29 1 33 PHE 1.28 -0.17 1 34 LYS 1.83 -0.17 1 35 SER 0.71 -0.15 1 38 GLU 2.42 -0.09 1 39 THR 1.94 -0.19 1 40 LEU 1.05 -0.16 1 41 GLU 1.22 -0.25 1 42 LYS 1.07 -0.21 1 43 PHE 0.70 -0.16 1 44 ASP 0.80 -0.17 1 45 ARG 2.24 -0.26 1 46 PHE 1.25 -0.15 1 47 LYS 1.71 -0.26 1 48 HIS 0.84 -0.09 1 49 LEU 0.42 -0.08 1 50 LYS 0.69 -0.06 1 52 GLU 1.72 -0.19 1 53 ALA 1.39 -0.20 1 54 GLU 1.08 -0.24 1 55 MET 1.66 -0.18 1 56 LYS 1.33 -0.16 1 57 ALA 1.23 -0.06 1 58 SER 1.66 -0.21 1 59 GLU 1.24 -0.19 1 60 ASP 1.55 -0.17 1 61 LEU 2.22 -0.23 1 62 LYS 1.99 -0.21 1 63 LYS 1.24 -0.16 1 64 HIS 0.64 -0.07 1 66 VAL 0.86 -0.02 1 67 THR 0.79 -0.05 1 68 VAL 1.44 -0.16 1 69 LEU 1.12 -0.10 1 70 THR 1.44 -0.13 1 71 ALA 1.35 -0.08 1 72 LEU 1.36 -0.19 1 74 ALA 1.12 -0.12 1 75 ILE 1.61 -0.21 1 76 LEU 1.13 -0.14 1 77 LYS 0.77 -0.12 1 78 LYS 0.45 -0.11 1 79 LYS 0.30 -0.06 1 81 HIS -0.02 -0.20 1 83 GLU 0.11 -0.13 1 84 ALA -0.18 -0.08 1 85 GLU -0.63 -0.14 1 86 LEU -0.27 -0.05 1 89 LEU 0.19 -0.13 1 90 ALA -0.08 -0.10 1 91 GLN -0.05 -0.07 1 92 SER 0.33 -0.15 1 93 HIS 0.25 -0.26 1 94 ALA 0.19 0.02 1 95 THR -0.19 -0.08 1 96 LYS -0.03 -0.06 1 98 LYS -0.02 0.01 1 101 ILE 2.21 -0.30 1 102 LYS 2.90 -0.20 1 103 TYR 2.47 -0.16 1 104 LEU 3.11 -0.39 1 105 GLU 3.21 -0.39 1 106 PHE 3.09 -0.31 1 108 SER 4.48 -0.49 1 109 GLU 3.20 -0.45 1 110 ALA 3.28 -0.35 1 111 ILE 3.92 -0.57 1 112 ILE 4.44 -0.57 1 115 LEU 2.10 -0.28 1 116 HIS 1.21 -0.15 1 117 SER 0.68 -0.11 1 118 ARG 0.00 -0.09 1 122 ASP 0.31 -0.08 1 123 PHE 0.18 -0.11 1 125 ALA 0.92 -0.12 1 126 ASP 0.80 -0.10 1 127 ALA 1.68 -0.21 1 128 GLN 2.66 -0.29 1 130 ALA 2.00 -0.21 1 131 MET 1.95 -0.32 1 132 ASN 3.10 -0.28 1 133 LYS 3.41 -0.29 1 134 ALA 3.19 -0.34 1 139 ARG 3.53 -0.51 1 140 LYS 2.53 -0.27 1 141 ASP 2.53 -0.43 1 142 ILE 3.12 -0.38 1 143 ALA 2.52 -0.32 1 144 ALA 1.90 -0.21 1 145 LYS 1.80 -0.21 1 146 TYR 1.94 -0.19 1 149 LEU 0.10 -0.13 1 151 TYR 0.02 -0.09 1 152 GLN -0.86 -0.06 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4568_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -0.86 _LACS_plot.Line_1_terminator_val_y_1 -0.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.57 _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 4.47 _LACS_plot.Line_2_terminator_val_y_2 1.65 _LACS_plot.Y_axis_chem_shift_offset 0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 116 HIS 1.21 3.97 0 112 ILE 4.44 0.93 0 125 ALA 0.92 -3.73 0 108 SER 4.48 2.38 0 94 ALA 0.19 -3.73 0 97 HIS -0.70 1.95 0 95 THR -0.19 2.86 0 10 VAL 4.09 2.34 1 11 LEU 3.66 -0.16 1 14 TRP 2.27 1.27 1 15 ALA 2.69 -0.88 1 16 LYS 2.28 2.78 1 18 GLU 2.42 -0.76 1 19 ALA 1.74 -0.81 1 20 ASP 1.22 2.20 1 21 VAL 1.82 0.88 1 22 ALA 0.85 -1.30 1 24 HIS 0.81 0.46 1 26 GLN 2.17 -1.44 1 27 ASP 2.08 0.02 1 28 ILE 2.99 1.04 1 29 LEU 2.92 -0.78 1 30 ILE 3.86 1.74 1 31 ARG 3.53 1.29 1 32 LEU 2.43 0.71 1 33 PHE 1.28 2.34 1 34 LYS 1.83 -0.03 1 35 SER 0.71 2.38 1 38 GLU 2.42 0.80 1 39 THR 1.94 2.53 1 40 LEU 1.05 -2.62 1 41 GLU 1.22 1.02 1 42 LYS 1.07 0.25 1 43 PHE 0.70 0.90 1 44 ASP 0.80 -0.48 1 45 ARG 2.24 0.58 1 46 PHE 1.25 0.95 1 47 LYS 1.71 -0.54 1 48 HIS 0.84 2.52 1 49 LEU 0.42 -3.05 1 50 LYS 0.69 0.71 1 52 GLU 1.72 -1.34 1 53 ALA 1.39 -0.55 1 54 GLU 1.08 2.38 1 55 MET 1.66 1.33 1 56 LYS 1.33 0.60 1 57 ALA 1.23 -0.67 1 58 SER 1.66 3.93 1 59 GLU 1.24 -1.03 1 60 ASP 1.55 0.83 1 61 LEU 2.22 -0.22 1 62 LYS 1.99 1.76 1 63 LYS 1.24 0.91 1 64 HIS 0.64 2.75 1 66 VAL 0.86 -2.34 1 67 THR 0.79 1.73 1 68 VAL 1.44 -1.51 1 69 LEU 1.12 -1.50 1 70 THR 1.44 3.38 1 71 ALA 1.35 -2.68 1 72 LEU 1.36 0.72 1 74 ALA 1.12 -3.18 1 75 ILE 1.61 2.16 1 76 LEU 1.13 -0.78 1 77 LYS 0.77 1.01 1 78 LYS 0.45 0.07 1 79 LYS 0.30 -0.06 1 81 HIS -0.02 -0.44 1 82 HIS 0.21 0.24 1 83 GLU 0.11 -2.34 1 84 ALA -0.18 -1.80 1 85 GLU -0.63 0.74 1 86 LEU -0.27 -1.63 1 89 LEU 0.19 -0.72 1 90 ALA -0.08 -0.54 1 91 GLN -0.05 1.60 1 92 SER 0.33 1.41 1 93 HIS 0.25 0.43 1 96 LYS -0.03 -2.28 1 98 LYS -0.02 -2.54 1 101 ILE 2.21 0.88 1 102 LYS 2.90 0.37 1 103 TYR 2.47 1.98 1 104 LEU 3.11 -0.75 1 105 GLU 3.21 2.48 1 106 PHE 3.09 1.84 1 107 ILE 3.58 0.96 1 109 GLU 3.20 -1.00 1 110 ALA 3.28 0.24 1 111 ILE 3.92 3.11 1 115 LEU 2.10 -0.39 1 117 SER 0.68 0.11 1 118 ARG 0.00 -2.06 1 122 ASP 0.31 -2.31 1 123 PHE 0.18 0.12 1 126 ASP 0.80 1.71 1 127 ALA 1.68 -1.29 1 128 GLN 2.66 2.51 1 130 ALA 2.00 -2.29 1 131 MET 1.95 2.97 1 132 ASN 3.10 2.03 1 133 LYS 3.41 0.79 1 134 ALA 3.19 0.32 1 137 LEU 2.95 0.80 1 138 PHE 2.34 2.79 1 139 ARG 3.53 0.45 1 140 LYS 2.53 1.33 1 141 ASP 2.53 1.70 1 142 ILE 3.12 1.23 1 143 ALA 2.52 -0.83 1 144 ALA 1.90 1.36 1 145 LYS 1.80 2.61 1 146 TYR 1.94 1.54 1 148 GLU 1.16 1.22 1 149 LEU 0.10 -0.72 1 151 TYR 0.02 -1.96 1 152 GLN -0.86 -0.60 1 stop_ save_