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 bmr26800_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.36 _LACS_plot.Line_1_terminator_val_y_1 -3.07 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.99 _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 6.32 _LACS_plot.Line_2_terminator_val_y_2 4.90 _LACS_plot.Y_axis_chem_shift_offset -0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 102 ALA 5.02 0.47 0 34 HIS -6.59 -1.43 0 10 LEU 2.14 2.57 1 11 ILE 5.28 4.78 1 12 SER 5.93 5.29 1 13 ALA 3.08 2.08 1 14 SER 2.66 1.62 1 15 LEU -0.64 1.21 1 16 SER -1.95 -1.09 1 18 GLU -1.89 -0.54 1 20 THR 4.85 4.61 1 22 TYR 3.84 3.04 1 23 GLN 3.91 3.25 1 24 ALA 4.82 3.89 1 25 TYR 3.17 0.24 1 26 ILE 3.79 2.94 1 27 LYS 2.68 3.12 1 28 ALA -1.10 -2.33 1 29 VAL 0.53 0.79 1 30 THR 2.35 3.20 1 31 HIS -0.48 0.23 1 33 ASN -2.79 -0.82 1 36 MET -6.56 -2.92 1 37 VAL 6.19 3.97 1 39 ASP 4.54 3.36 1 40 GLN 4.43 5.04 1 41 ASN 5.27 2.52 1 42 ILE 3.74 3.77 1 43 ASP 2.22 3.00 1 44 GLU 3.00 3.47 1 45 LEU 5.61 4.55 1 46 ARG 4.63 4.24 1 47 ARG 6.32 4.80 1 48 VAL 5.31 5.27 1 49 TYR 3.52 3.51 1 50 ASN 1.22 1.96 1 51 ARG 0.53 1.32 1 52 LYS -2.31 -1.72 1 53 PHE 1.73 1.58 1 55 HIS -0.65 -0.89 1 56 LYS 4.35 3.10 1 57 ILE 5.63 3.91 1 58 GLN 3.96 2.68 1 59 ALA 6.30 2.97 1 60 LEU 3.98 2.65 1 61 GLU 4.21 3.49 1 62 ARG 4.61 3.93 1 63 PHE 3.30 2.58 1 64 LEU 3.76 2.37 1 65 ALA 2.07 1.60 1 66 ILE 3.58 2.69 1 67 ALA 4.44 1.63 1 68 LEU 1.72 1.84 1 69 THR -1.08 -0.30 1 70 VAL -3.75 -1.47 1 71 LEU -2.48 -0.92 1 72 GLU 0.87 -0.81 1 73 VAL -0.49 -1.54 1 74 VAL 1.57 1.08 1 76 THR -0.52 -0.30 1 78 ALA 0.20 0.00 1 79 VAL -0.78 -0.20 1 80 ASP 0.43 -0.10 1 81 VAL 0.59 0.76 1 82 SER 0.79 0.89 1 83 ASP 1.39 1.30 1 84 GLU 1.51 1.20 1 85 ALA 1.14 1.03 1 86 LEU 1.54 0.93 1 87 VAL 1.45 1.16 1 88 ARG -0.47 -0.13 1 89 ASP 1.73 1.49 1 90 ALA 1.33 1.20 1 91 SER 0.83 2.01 1 92 ALA 4.14 2.52 1 95 ILE 3.42 2.21 1 96 LEU 4.92 3.69 1 97 ARG 2.76 2.53 1 98 ALA 3.60 2.78 1 99 ALA 3.87 3.60 1 100 ILE 3.74 2.68 1 101 ALA -0.75 -1.15 1 103 LYS 1.42 0.49 1 104 ALA -0.37 2.65 1 105 ASP -6.79 -2.41 1 106 VAL -4.62 -1.60 1 107 LEU -1.21 -2.06 1 108 VAL -0.05 -1.13 1 109 THR -0.17 0.42 1 111 ASP 4.34 3.32 1 112 ARG 4.72 3.09 1 113 ASP 1.50 -0.20 1 114 PHE 3.76 3.56 1 115 LEU 0.33 -0.84 1 116 GLU 1.96 2.72 1 117 SER 1.81 0.74 1 119 ILE 0.02 0.12 1 120 THR -2.07 -0.09 1 121 ASN 0.69 0.51 1 123 LYS 1.12 0.07 1 124 ILE -7.36 -3.73 1 125 VAL -3.80 -1.56 1 126 THR 4.51 3.64 1 127 ALA 3.73 3.02 1 128 ALA 1.64 2.16 1 129 GLU 2.85 2.46 1 130 PHE 3.29 2.43 1 131 LEU 0.84 0.62 1 132 GLN 1.46 2.18 1 133 MET -0.06 0.05 1 134 GLU 0.86 0.66 1 135 LEU -0.47 0.04 1 136 GLU 0.44 0.75 1 137 HIS 0.12 0.65 1 138 HIS 0.20 0.86 1 141 HIS 1.47 2.25 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26800_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.36 _LACS_plot.Line_1_terminator_val_y_1 4.29 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.01 _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 6.32 _LACS_plot.Line_2_terminator_val_y_2 -1.42 _LACS_plot.Y_axis_chem_shift_offset -0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 102 ALA 5.02 -4.55 0 34 HIS -6.59 5.16 0 10 LEU 2.14 0.43 1 11 ILE 5.28 -0.50 1 12 SER 5.93 -0.64 1 13 ALA 3.08 -1.00 1 14 SER 2.66 -1.04 1 15 LEU -0.64 1.85 1 16 SER -1.95 0.86 1 18 GLU -1.89 1.35 1 20 THR 4.85 -0.24 1 22 TYR 3.84 -0.80 1 23 GLN 3.91 -0.66 1 24 ALA 4.82 -0.93 1 25 TYR 3.17 -2.93 1 26 ILE 3.79 -0.85 1 27 LYS 2.68 0.44 1 28 ALA -1.10 -1.23 1 29 VAL 0.53 0.26 1 30 THR 2.35 0.85 1 31 HIS -0.48 0.71 1 33 ASN -2.79 1.97 1 36 MET -6.56 3.64 1 37 VAL 6.19 -2.22 1 39 ASP 4.54 -1.18 1 40 GLN 4.43 0.61 1 41 ASN 5.27 -2.75 1 42 ILE 3.74 0.03 1 43 ASP 2.22 0.78 1 44 GLU 3.00 0.47 1 45 LEU 5.61 -1.06 1 46 ARG 4.63 -0.39 1 47 ARG 6.32 -1.52 1 48 VAL 5.31 -0.04 1 49 TYR 3.52 -0.01 1 50 ASN 1.22 0.74 1 51 ARG 0.53 0.79 1 52 LYS -2.31 0.59 1 53 PHE 1.73 -0.15 1 55 HIS -0.65 -0.24 1 56 LYS 4.35 -1.25 1 57 ILE 5.63 -1.72 1 58 GLN 3.96 -1.28 1 59 ALA 6.30 -3.33 1 60 LEU 3.98 -1.33 1 61 GLU 4.21 -0.72 1 62 ARG 4.61 -0.68 1 63 PHE 3.30 -0.72 1 64 LEU 3.76 -1.39 1 65 ALA 2.07 -0.47 1 66 ILE 3.58 -0.89 1 67 ALA 4.44 -2.81 1 68 LEU 1.72 0.12 1 69 THR -1.08 0.78 1 70 VAL -3.75 2.28 1 71 LEU -2.48 1.56 1 72 GLU 0.87 -1.68 1 73 VAL -0.49 -1.05 1 74 VAL 1.57 -0.49 1 76 THR -0.52 0.22 1 78 ALA 0.20 -0.20 1 79 VAL -0.78 0.58 1 80 ASP 0.43 -0.53 1 81 VAL 0.59 0.17 1 82 SER 0.79 0.10 1 83 ASP 1.39 -0.09 1 84 GLU 1.51 -0.31 1 85 ALA 1.14 -0.11 1 86 LEU 1.54 -0.61 1 87 VAL 1.45 -0.29 1 88 ARG -0.47 0.34 1 89 ASP 1.73 -0.24 1 90 ALA 1.33 -0.13 1 91 SER 0.83 1.18 1 92 ALA 4.14 -1.62 1 95 ILE 3.42 -1.21 1 96 LEU 4.92 -1.23 1 97 ARG 2.76 -0.23 1 98 ALA 3.60 -0.82 1 99 ALA 3.87 -0.27 1 100 ILE 3.74 -1.06 1 101 ALA -0.75 -0.40 1 103 LYS 1.42 -0.93 1 104 ALA -0.37 3.02 1 105 ASP -6.79 4.38 1 106 VAL -4.62 3.02 1 107 LEU -1.21 -0.85 1 108 VAL -0.05 -1.08 1 109 THR -0.17 0.59 1 111 ASP 4.34 -1.02 1 112 ARG 4.72 -1.63 1 113 ASP 1.50 -1.70 1 114 PHE 3.76 -0.20 1 115 LEU 0.33 -1.17 1 116 GLU 1.96 0.76 1 117 SER 1.81 -1.07 1 119 ILE 0.02 0.10 1 120 THR -2.07 1.98 1 121 ASN 0.69 -0.18 1 123 LYS 1.12 -1.05 1 124 ILE -7.36 3.63 1 125 VAL -3.80 2.24 1 126 THR 4.51 -0.87 1 127 ALA 3.73 -0.71 1 128 ALA 1.64 0.52 1 129 GLU 2.85 -0.39 1 130 PHE 3.29 -0.86 1 131 LEU 0.84 -0.22 1 132 GLN 1.46 0.72 1 133 MET -0.06 0.11 1 134 GLU 0.86 -0.20 1 135 LEU -0.47 0.51 1 136 GLU 0.44 0.31 1 137 HIS 0.12 0.53 1 138 HIS 0.20 0.66 1 141 HIS 1.47 0.78 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26800_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.36 _LACS_plot.Line_1_terminator_val_y_1 0.78 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.13 _LACS_plot.Line_2_terminator_val_x_2 6.32 _LACS_plot.Line_2_terminator_val_y_2 -0.56 _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 14 SER 2.66 -1.44 0 10 LEU 2.14 -0.61 1 11 ILE 5.28 -0.79 1 12 SER 5.93 -0.63 1 13 ALA 3.08 -0.09 1 15 LEU -0.64 -0.22 1 16 SER -1.95 -0.01 1 18 GLU -1.89 0.07 1 20 THR 4.85 -0.41 1 22 TYR 3.84 -0.43 1 23 GLN 3.91 -0.20 1 24 ALA 4.82 -0.68 1 25 TYR 3.17 -0.77 1 26 ILE 3.79 -0.35 1 27 LYS 2.68 -0.34 1 28 ALA -1.10 0.30 1 29 VAL 0.53 -0.08 1 30 THR 2.35 -0.53 1 31 HIS -0.48 0.39 1 33 ASN -2.79 0.20 1 34 HIS -6.59 1.20 1 36 MET -6.56 0.55 1 37 VAL 6.19 -0.56 1 39 ASP 4.54 -0.16 1 40 GLN 4.43 -0.17 1 41 ASN 5.27 -0.46 1 42 ILE 3.74 -0.25 1 43 ASP 2.22 -0.38 1 44 GLU 3.00 -0.37 1 45 LEU 5.61 -0.49 1 46 ARG 4.63 -0.26 1 47 ARG 6.32 -0.45 1 48 VAL 5.31 -0.50 1 49 TYR 3.52 -0.42 1 50 ASN 1.22 -0.10 1 51 ARG 0.53 -0.20 1 52 LYS -2.31 0.41 1 53 PHE 1.73 0.17 1 55 HIS -0.65 0.63 1 56 LYS 4.35 -0.30 1 57 ILE 5.63 -0.23 1 58 GLN 3.96 -0.16 1 59 ALA 6.30 -0.50 1 60 LEU 3.98 -0.34 1 61 GLU 4.21 -0.21 1 62 ARG 4.61 -0.34 1 63 PHE 3.30 -0.58 1 64 LEU 3.76 -0.30 1 65 ALA 2.07 -0.22 1 66 ILE 3.58 -0.29 1 67 ALA 4.44 -0.15 1 68 LEU 1.72 0.11 1 69 THR -1.08 0.46 1 70 VAL -3.75 0.05 1 71 LEU -2.48 0.08 1 72 GLU 0.87 0.52 1 73 VAL -0.49 0.39 1 74 VAL 1.57 -0.20 1 76 THR -0.52 0.01 1 78 ALA 0.20 -0.06 1 79 VAL -0.78 0.06 1 80 ASP 0.43 0.09 1 81 VAL 0.59 -0.09 1 82 SER 0.79 -0.07 1 83 ASP 1.39 -0.24 1 84 GLU 1.51 -0.16 1 85 ALA 1.14 -0.10 1 86 LEU 1.54 -0.15 1 87 VAL 1.45 -0.11 1 88 ARG -0.47 -0.01 1 89 ASP 1.73 -0.16 1 90 ALA 1.33 -0.19 1 91 SER 0.83 -0.27 1 92 ALA 4.14 -0.38 1 95 ILE 3.42 -0.54 1 96 LEU 4.92 -0.47 1 97 ARG 2.76 -0.27 1 98 ALA 3.60 -0.60 1 99 ALA 3.87 -0.39 1 100 ILE 3.74 -0.20 1 101 ALA -0.75 0.10 1 102 ALA 5.02 -0.46 1 103 LYS 1.42 -0.39 1 104 ALA -0.37 0.14 1 105 ASP -6.79 0.99 1 106 VAL -4.62 0.83 1 107 LEU -1.21 0.78 1 108 VAL -0.05 0.52 1 109 THR -0.17 -0.23 1 111 ASP 4.34 -0.42 1 112 ARG 4.72 -0.34 1 113 ASP 1.50 0.08 1 114 PHE 3.76 -0.44 1 115 LEU 0.33 0.18 1 116 GLU 1.96 -0.27 1 117 SER 1.81 -0.17 1 119 ILE 0.02 0.11 1 120 THR -2.07 -0.38 1 121 ASN 0.69 -0.15 1 123 LYS 1.12 0.71 1 124 ILE -7.36 0.86 1 125 VAL -3.80 0.74 1 126 THR 4.51 -0.53 1 127 ALA 3.73 -0.38 1 128 ALA 1.64 -0.38 1 129 GLU 2.85 -0.23 1 130 PHE 3.29 -0.73 1 131 LEU 0.84 -0.14 1 132 GLN 1.46 -0.37 1 133 MET -0.06 -0.18 1 134 GLU 0.86 -0.13 1 135 LEU -0.47 -0.19 1 136 GLU 0.44 -0.15 1 137 HIS 0.12 -0.13 1 138 HIS 0.20 -0.10 1 141 HIS 1.47 -0.28 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26800_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.36 _LACS_plot.Line_1_terminator_val_y_1 -3.16 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 -0.94 _LACS_plot.Line_2_terminator_val_x_2 6.32 _LACS_plot.Line_2_terminator_val_y_2 2.55 _LACS_plot.Y_axis_chem_shift_offset 0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 105 ASP -6.79 -4.15 0 124 ILE -7.36 -1.91 0 125 VAL -3.80 1.87 0 141 HIS 1.47 4.86 0 10 LEU 2.14 1.18 1 11 ILE 5.28 2.01 1 12 SER 5.93 1.68 1 13 ALA 3.08 -1.05 1 14 SER 2.66 0.36 1 15 LEU -0.64 0.59 1 16 SER -1.95 -1.40 1 18 GLU -1.89 -0.06 1 20 THR 4.85 0.79 1 22 TYR 3.84 3.29 1 23 GLN 3.91 -0.04 1 24 ALA 4.82 -0.36 1 25 TYR 3.17 3.50 1 26 ILE 3.79 2.17 1 27 LYS 2.68 -2.66 1 28 ALA -1.10 1.23 1 29 VAL 0.53 -0.80 1 30 THR 2.35 1.52 1 31 HIS -0.48 -2.48 1 33 ASN -2.79 -0.95 1 34 HIS -6.59 -2.67 1 36 MET -6.56 -2.27 1 37 VAL 6.19 2.66 1 39 ASP 4.54 2.32 1 40 GLN 4.43 1.40 1 41 ASN 5.27 1.10 1 42 ILE 3.74 2.88 1 43 ASP 2.22 1.79 1 44 GLU 3.00 0.40 1 45 LEU 5.61 2.59 1 46 ARG 4.63 3.17 1 47 ARG 6.32 2.30 1 48 VAL 5.31 2.39 1 49 TYR 3.52 1.13 1 50 ASN 1.22 1.31 1 51 ARG 0.53 -0.36 1 52 LYS -2.31 -0.31 1 53 PHE 1.73 2.27 1 55 HIS -0.65 0.08 1 56 LYS 4.35 0.84 1 57 ILE 5.63 2.73 1 58 GLN 3.96 3.27 1 59 ALA 6.30 0.82 1 60 LEU 3.98 3.67 1 61 GLU 4.21 2.22 1 62 ARG 4.61 2.33 1 63 PHE 3.30 0.20 1 64 LEU 3.76 2.30 1 65 ALA 2.07 2.69 1 66 ILE 3.58 2.16 1 67 ALA 4.44 0.41 1 68 LEU 1.72 0.98 1 69 THR -1.08 -0.88 1 70 VAL -3.75 -1.88 1 71 LEU -2.48 -1.64 1 72 GLU 0.87 0.67 1 73 VAL -0.49 -1.61 1 74 VAL 1.57 0.16 1 76 THR -0.52 0.06 1 78 ALA 0.20 -0.95 1 79 VAL -0.78 0.10 1 80 ASP 0.43 0.08 1 81 VAL 0.59 0.09 1 82 SER 0.79 0.54 1 83 ASP 1.39 0.37 1 84 GLU 1.51 0.54 1 85 ALA 1.14 0.19 1 86 LEU 1.54 0.20 1 87 VAL 1.45 -0.09 1 88 ARG -0.47 0.03 1 89 ASP 1.73 0.43 1 90 ALA 1.33 -0.35 1 91 SER 0.83 2.43 1 92 ALA 4.14 0.12 1 95 ILE 3.42 0.90 1 96 LEU 4.92 3.54 1 97 ARG 2.76 1.15 1 98 ALA 3.60 0.94 1 99 ALA 3.87 4.21 1 100 ILE 3.74 0.97 1 101 ALA -0.75 -2.10 1 102 ALA 5.02 0.28 1 103 LYS 1.42 -0.84 1 104 ALA -0.37 0.84 1 106 VAL -4.62 -4.06 1 107 LEU -1.21 -1.93 1 108 VAL -0.05 -3.65 1 109 THR -0.17 0.71 1 111 ASP 4.34 0.97 1 112 ARG 4.72 3.04 1 113 ASP 1.50 3.48 1 114 PHE 3.76 1.01 1 115 LEU 0.33 0.29 1 116 GLU 1.96 1.15 1 117 SER 1.81 0.44 1 119 ILE 0.02 -0.91 1 120 THR -2.07 -1.42 1 121 ASN 0.69 -0.93 1 123 LYS 1.12 -0.15 1 126 THR 4.51 0.74 1 127 ALA 3.73 3.22 1 128 ALA 1.64 3.55 1 129 GLU 2.85 2.03 1 130 PHE 3.29 0.48 1 131 LEU 0.84 0.60 1 132 GLN 1.46 0.12 1 133 MET -0.06 -0.04 1 134 GLU 0.86 -0.08 1 135 LEU -0.47 -0.38 1 136 GLU 0.44 0.51 1 137 HIS 0.12 0.38 1 138 HIS 0.20 -0.35 1 stop_ save_