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 bmr5758_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.22 _LACS_plot.Line_1_terminator_val_y_1 -4.04 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.48 _LACS_plot.Line_2_terminator_val_x_2 7.65 _LACS_plot.Line_2_terminator_val_y_2 5.70 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 16 ALA -9.22 -3.66 0 72 LEU -6.21 -1.07 0 36 ALA -8.08 -2.33 0 103 HIS -4.53 0.37 0 10 MET -0.17 -0.11 1 11 SER 0.00 0.70 1 13 THR 0.05 0.22 1 14 LEU -4.13 -0.35 1 15 LEU -7.11 -2.49 1 17 PHE -6.84 -2.78 1 18 ASP -5.18 -2.80 1 19 PHE 3.32 3.19 1 21 THR 3.63 1.98 1 22 LYS -1.35 -0.22 1 23 SER -1.99 -1.84 1 24 ILE -3.69 -2.22 1 26 VAL -3.42 -1.61 1 27 ALA -7.21 -2.72 1 28 VAL -6.59 -4.47 1 30 GLN -3.75 -1.75 1 31 ARG 3.79 3.11 1 32 ILE 3.73 2.49 1 33 THR -0.30 -0.34 1 35 THR -4.29 -2.00 1 37 ARG -3.01 -1.66 1 39 LEU -0.81 -1.17 1 41 ALA -0.36 -0.46 1 42 ILE -2.72 -1.06 1 43 LYS 1.65 1.08 1 44 ALA -4.42 -2.67 1 45 GLN -1.00 -1.00 1 46 ASP 2.40 1.18 1 48 THR -0.04 -0.33 1 50 ASP 0.58 -0.94 1 51 TRP 2.57 2.37 1 52 ASN 4.47 3.40 1 53 ILE 4.63 3.07 1 54 ILE 6.15 4.14 1 55 GLU 3.78 3.45 1 56 ARG 4.89 3.60 1 57 LEU 2.60 3.07 1 58 LEU 6.74 3.50 1 59 LYS 3.22 2.78 1 60 GLU 1.99 2.36 1 61 TRP -0.51 0.40 1 62 GLN 2.71 1.73 1 64 ASP 1.41 2.25 1 65 GLU -6.14 -2.25 1 66 ILE -3.80 -2.51 1 67 ILE -2.44 -3.31 1 68 VAL -3.83 -2.03 1 70 LEU -4.58 -2.58 1 73 ASN 0.17 0.41 1 74 MET 4.20 2.91 1 75 ASP 0.29 -1.14 1 77 THR -1.84 -0.41 1 78 GLU 0.50 0.72 1 79 GLN -0.02 -0.02 1 81 LEU 0.93 0.82 1 82 THR 7.65 6.71 1 83 ALA 3.48 2.55 1 84 ARG 3.19 2.46 1 85 ALA 4.19 2.73 1 86 ARG 5.03 4.05 1 87 LYS 4.34 3.19 1 88 PHE 3.39 2.86 1 89 ALA 3.36 2.86 1 90 ASN 3.13 2.79 1 91 ARG 3.36 2.58 1 92 ILE 5.45 3.96 1 93 HIS 4.34 4.94 1 95 ARG 2.42 1.74 1 96 PHE -1.07 -0.17 1 98 VAL -3.46 -2.88 1 99 GLU 1.00 0.88 1 100 VAL -3.72 -2.37 1 101 LYS -4.01 -2.37 1 102 LEU -2.33 -1.97 1 104 ASP 0.28 0.16 1 105 GLU -0.02 0.57 1 106 ARG 1.71 0.86 1 107 LEU 0.83 0.63 1 108 SER 0.00 -0.07 1 109 THR -0.02 -0.32 1 110 VAL 1.68 1.03 1 111 GLU 0.90 0.67 1 112 ALA 0.81 0.71 1 114 SER 1.03 1.04 1 116 LEU 0.95 0.53 1 117 PHE 0.87 0.25 1 118 GLU -1.09 -0.97 1 132 SER 0.36 0.59 1 133 ALA 2.82 2.71 1 135 ALA 4.22 2.24 1 136 VAL 5.59 3.85 1 137 ILE 4.99 3.26 1 138 ILE 4.68 3.95 1 139 LEU 4.51 1.84 1 140 GLU 4.95 3.74 1 141 SER 3.59 2.07 1 142 TYR 5.32 4.46 1 143 PHE 2.05 0.01 1 144 GLU 1.87 1.63 1 145 GLN 1.87 1.02 1 147 TYR 1.09 0.38 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5758_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.22 _LACS_plot.Line_1_terminator_val_y_1 5.18 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.52 _LACS_plot.Line_2_terminator_val_x_2 7.65 _LACS_plot.Line_2_terminator_val_y_2 -1.95 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 16 ALA -9.22 5.56 0 72 LEU -6.21 5.14 0 36 ALA -8.08 5.75 0 103 HIS -4.53 4.90 0 10 MET -0.17 0.06 1 11 SER 0.00 0.70 1 13 THR 0.05 0.17 1 14 LEU -4.13 3.78 1 15 LEU -7.11 4.62 1 17 PHE -6.84 4.06 1 18 ASP -5.18 2.38 1 19 PHE 3.32 -0.13 1 21 THR 3.63 -1.65 1 22 LYS -1.35 1.13 1 23 SER -1.99 0.15 1 24 ILE -3.69 1.47 1 26 VAL -3.42 1.81 1 27 ALA -7.21 4.49 1 28 VAL -6.59 2.12 1 30 GLN -3.75 2.00 1 31 ARG 3.79 -0.68 1 32 ILE 3.73 -1.24 1 33 THR -0.30 -0.04 1 35 THR -4.29 2.29 1 37 ARG -3.01 1.35 1 39 LEU -0.81 -0.36 1 41 ALA -0.36 -0.10 1 42 ILE -2.72 1.66 1 43 LYS 1.65 -0.57 1 44 ALA -4.42 1.75 1 45 GLN -1.00 0.00 1 46 ASP 2.40 -1.22 1 48 THR -0.04 -0.29 1 50 ASP 0.58 -1.52 1 51 TRP 2.57 -0.20 1 52 ASN 4.47 -1.07 1 53 ILE 4.63 -1.56 1 54 ILE 6.15 -2.01 1 55 GLU 3.78 -0.33 1 56 ARG 4.89 -1.29 1 57 LEU 2.60 0.47 1 58 LEU 6.74 -3.24 1 59 LYS 3.22 -0.44 1 60 GLU 1.99 0.37 1 61 TRP -0.51 0.91 1 62 GLN 2.71 -0.98 1 64 ASP 1.41 0.84 1 65 GLU -6.14 3.89 1 66 ILE -3.80 1.29 1 67 ILE -2.44 -0.87 1 68 VAL -3.83 1.80 1 70 LEU -4.58 2.00 1 73 ASN 0.17 0.24 1 74 MET 4.20 -1.29 1 75 ASP 0.29 -1.43 1 77 THR -1.84 1.43 1 78 GLU 0.50 0.22 1 79 GLN -0.02 0.00 1 81 LEU 0.93 -0.11 1 82 THR 7.65 -0.94 1 83 ALA 3.48 -0.93 1 84 ARG 3.19 -0.73 1 85 ALA 4.19 -1.46 1 86 ARG 5.03 -0.98 1 87 LYS 4.34 -1.15 1 88 PHE 3.39 -0.53 1 89 ALA 3.36 -0.50 1 90 ASN 3.13 -0.34 1 91 ARG 3.36 -0.78 1 92 ILE 5.45 -1.49 1 93 HIS 4.34 0.60 1 95 ARG 2.42 -0.68 1 96 PHE -1.07 0.90 1 98 VAL -3.46 0.58 1 99 GLU 1.00 -0.12 1 100 VAL -3.72 1.35 1 101 LYS -4.01 1.64 1 102 LEU -2.33 0.36 1 104 ASP 0.28 -0.12 1 105 GLU -0.02 0.59 1 106 ARG 1.71 -0.85 1 107 LEU 0.83 -0.20 1 108 SER 0.00 -0.07 1 109 THR -0.02 -0.30 1 110 VAL 1.68 -0.65 1 111 GLU 0.90 -0.23 1 112 ALA 0.81 -0.10 1 114 SER 1.03 0.01 1 116 LEU 0.95 -0.42 1 117 PHE 0.87 -0.62 1 118 GLU -1.09 0.12 1 132 SER 0.36 0.23 1 133 ALA 2.82 -0.11 1 135 ALA 4.22 -1.98 1 136 VAL 5.59 -1.74 1 137 ILE 4.99 -1.73 1 138 ILE 4.68 -0.73 1 139 LEU 4.51 -2.67 1 140 GLU 4.95 -1.21 1 141 SER 3.59 -1.52 1 142 TYR 5.32 -0.86 1 143 PHE 2.05 -2.04 1 144 GLU 1.87 -0.24 1 145 GLN 1.87 -0.85 1 147 TYR 1.09 -0.71 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5758_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.22 _LACS_plot.Line_1_terminator_val_y_1 1.06 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 0.15 _LACS_plot.Line_2_terminator_val_x_2 7.65 _LACS_plot.Line_2_terminator_val_y_2 -0.77 _LACS_plot.Y_axis_chem_shift_offset 0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 31 ARG 3.79 -1.30 0 82 THR 7.65 -0.13 0 10 MET -0.17 -0.30 1 11 SER 0.00 0.06 1 13 THR 0.05 0.67 1 14 LEU -4.13 0.73 1 15 LEU -7.11 0.76 1 16 ALA -9.22 1.39 1 17 PHE -6.84 1.17 1 18 ASP -5.18 0.47 1 19 PHE 3.32 -0.93 1 21 THR 3.63 -0.89 1 23 SER -1.99 0.20 1 24 ILE -3.69 0.32 1 26 VAL -3.42 0.89 1 27 ALA -7.21 0.61 1 28 VAL -6.59 0.88 1 30 GLN -3.75 0.91 1 32 ILE 3.73 -0.22 1 33 THR -0.30 0.01 1 35 THR -4.29 0.34 1 36 ALA -8.08 1.00 1 37 ARG -3.01 0.24 1 39 LEU -0.81 0.12 1 41 ALA -0.36 0.07 1 42 ILE -2.72 0.01 1 43 LYS 1.65 -0.25 1 44 ALA -4.42 0.16 1 45 GLN -1.00 0.15 1 48 THR -0.04 0.08 1 50 ASP 0.58 -0.07 1 51 TRP 2.57 -0.30 1 52 ASN 4.47 -0.10 1 53 ILE 4.63 -0.43 1 54 ILE 6.15 -0.48 1 55 GLU 3.78 -0.94 1 56 ARG 4.89 -0.34 1 57 LEU 2.60 0.04 1 58 LEU 6.74 -0.58 1 59 LYS 3.22 -0.22 1 60 GLU 1.99 -0.53 1 61 TRP -0.51 -0.10 1 62 GLN 2.71 -0.53 1 64 ASP 1.41 -0.08 1 65 GLU -6.14 0.32 1 66 ILE -3.80 0.76 1 67 ILE -2.44 0.69 1 68 VAL -3.83 0.99 1 70 LEU -4.58 0.35 1 72 LEU -6.21 0.21 1 73 ASN 0.17 0.04 1 74 MET 4.20 -0.35 1 75 ASP 0.29 -0.17 1 77 THR -1.84 0.00 1 78 GLU 0.50 -0.13 1 79 GLN -0.02 0.28 1 81 LEU 0.93 -0.06 1 83 ALA 3.48 -0.29 1 84 ARG 3.19 -0.46 1 85 ALA 4.19 -0.97 1 86 ARG 5.03 -0.46 1 87 LYS 4.34 -0.25 1 88 PHE 3.39 -0.20 1 89 ALA 3.36 -0.61 1 90 ASN 3.13 -0.30 1 91 ARG 3.36 -0.31 1 92 ILE 5.45 -0.52 1 93 HIS 4.34 -0.41 1 95 ARG 2.42 -0.62 1 96 PHE -1.07 0.25 1 98 VAL -3.46 0.22 1 99 GLU 1.00 -0.15 1 100 VAL -3.72 0.97 1 101 LYS -4.01 0.28 1 102 LEU -2.33 0.97 1 103 HIS -4.53 0.23 1 104 ASP 0.28 -0.18 1 105 GLU -0.02 -0.29 1 106 ARG 1.71 -0.13 1 107 LEU 0.83 -0.09 1 108 SER 0.00 0.00 1 109 THR -0.02 0.05 1 110 VAL 1.68 -0.15 1 111 GLU 0.90 -0.24 1 112 ALA 0.81 -0.14 1 116 LEU 0.95 -0.19 1 117 PHE 0.87 -0.08 1 118 GLU -1.09 -0.16 1 133 ALA 2.82 -0.41 1 135 ALA 4.22 -0.58 1 136 VAL 5.59 -1.20 1 137 ILE 4.99 -0.49 1 138 ILE 4.68 -0.69 1 139 LEU 4.51 -0.86 1 140 GLU 4.95 -0.54 1 141 SER 3.59 -0.16 1 142 TYR 5.32 -1.08 1 143 PHE 2.05 -0.23 1 144 GLU 1.87 -0.28 1 145 GLN 1.87 -0.21 1 147 TYR 1.09 -0.10 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5758_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.22 _LACS_plot.Line_1_terminator_val_y_1 -3.50 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.57 _LACS_plot.Line_2_terminator_val_x_2 7.65 _LACS_plot.Line_2_terminator_val_y_2 3.22 _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 19 PHE 3.32 -2.37 0 10 MET -0.17 0.06 1 11 SER 0.00 1.74 1 13 THR 0.05 -1.74 1 14 LEU -4.13 -2.77 1 15 LEU -7.11 -3.23 1 16 ALA -9.22 -2.76 1 17 PHE -6.84 -1.68 1 18 ASP -5.18 -1.16 1 22 LYS -1.35 0.39 1 23 SER -1.99 -2.74 1 24 ILE -3.69 -0.31 1 26 VAL -3.42 -2.94 1 27 ALA -7.21 -3.85 1 28 VAL -6.59 -2.64 1 30 GLN -3.75 -0.49 1 31 ARG 3.79 1.91 1 32 ILE 3.73 0.03 1 33 THR -0.30 1.53 1 35 THR -4.29 -1.73 1 36 ALA -8.08 -2.50 1 41 ALA -0.36 0.13 1 42 ILE -2.72 -0.84 1 43 LYS 1.65 -1.52 1 44 ALA -4.42 -2.90 1 46 ASP 2.40 0.45 1 50 ASP 0.58 1.26 1 51 TRP 2.57 2.11 1 52 ASN 4.47 3.26 1 53 ILE 4.63 1.97 1 54 ILE 6.15 0.27 1 55 GLU 3.78 1.72 1 56 ARG 4.89 2.75 1 57 LEU 2.60 1.77 1 58 LEU 6.74 3.04 1 59 LYS 3.22 1.74 1 60 GLU 1.99 1.74 1 61 TRP -0.51 -0.69 1 64 ASP 1.41 0.47 1 65 GLU -6.14 -2.98 1 66 ILE -3.80 -3.09 1 67 ILE -2.44 -1.34 1 68 VAL -3.83 0.12 1 72 LEU -6.21 -0.52 1 74 MET 4.20 0.67 1 75 ASP 0.29 0.93 1 77 THR -1.84 -0.55 1 78 GLU 0.50 -0.33 1 81 LEU 0.93 0.26 1 82 THR 7.65 1.21 1 83 ALA 3.48 3.20 1 84 ARG 3.19 1.99 1 85 ALA 4.19 1.37 1 86 ARG 5.03 2.65 1 87 LYS 4.34 1.90 1 88 PHE 3.39 3.25 1 89 ALA 3.36 1.28 1 90 ASN 3.13 3.39 1 91 ARG 3.36 2.66 1 92 ILE 5.45 1.63 1 93 HIS 4.34 4.68 1 95 ARG 2.42 1.67 1 96 PHE -1.07 1.16 1 98 VAL -3.46 -1.70 1 99 GLU 1.00 -1.60 1 100 VAL -3.72 -0.49 1 101 LYS -4.01 -1.75 1 102 LEU -2.33 -0.53 1 103 HIS -4.53 -0.52 1 104 ASP 0.28 -0.45 1 105 GLU -0.02 0.39 1 106 ARG 1.71 1.36 1 107 LEU 0.83 -0.03 1 108 SER 0.00 0.28 1 109 THR -0.02 0.23 1 110 VAL 1.68 0.60 1 111 GLU 0.90 0.34 1 132 SER 0.36 -0.24 1 133 ALA 2.82 2.69 1 135 ALA 4.22 0.10 1 136 VAL 5.59 0.39 1 137 ILE 4.99 2.75 1 138 ILE 4.68 0.57 1 139 LEU 4.51 0.02 1 140 GLU 4.95 3.11 1 141 SER 3.59 2.34 1 142 TYR 5.32 3.10 1 143 PHE 2.05 2.69 1 144 GLU 1.87 1.44 1 145 GLN 1.87 1.54 1 147 TYR 1.09 0.53 1 stop_ save_