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 bmr17350_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -2.29 _LACS_plot.Line_1_terminator_val_y_1 -1.47 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.73 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.47 _LACS_plot.Line_2_terminator_val_x_2 8.41 _LACS_plot.Line_2_terminator_val_y_2 6.25 _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 47 ASP -1.90 0.01 0 78 THR -1.06 -2.41 0 10 SER -0.01 0.14 1 11 ASP 0.46 0.42 1 12 THR -0.14 0.11 1 13 ASP -0.69 0.25 1 15 HIS 2.94 2.48 1 16 PHE 3.70 3.08 1 17 GLN 4.57 3.40 1 18 ASP 3.00 2.70 1 19 VAL 5.79 4.12 1 20 LEU 4.24 3.18 1 21 MET 3.82 1.85 1 22 GLN 5.24 3.61 1 23 LEU 2.82 2.52 1 24 ALA 4.77 3.51 1 25 ASN 4.09 2.88 1 26 ALA 4.10 2.51 1 27 VAL 6.46 4.40 1 28 ALA 4.60 3.06 1 29 SER 4.69 3.35 1 30 ALA 4.38 2.25 1 31 ALA 3.15 2.90 1 32 ALA 4.46 2.76 1 33 ALA 3.66 2.32 1 34 LEU 4.59 3.11 1 35 VAL 6.93 5.54 1 36 LEU 4.12 3.50 1 37 LYS 3.32 1.69 1 38 ALA 4.32 2.68 1 39 LYS 6.08 4.63 1 40 SER 5.09 3.99 1 41 VAL 6.33 4.34 1 42 ALA 4.07 3.10 1 43 GLN 2.73 2.10 1 44 ARG -0.51 -1.01 1 45 THR 1.06 0.72 1 46 GLU 0.71 0.86 1 48 SER 4.35 3.42 1 50 LEU 2.78 2.35 1 51 GLN 4.32 4.85 1 52 THR 5.84 4.91 1 53 GLN 4.27 3.43 1 54 VAL 6.11 4.76 1 55 ILE 5.20 3.09 1 56 ALA 4.30 2.91 1 57 ALA 3.90 2.29 1 58 ALA 4.69 3.17 1 59 THR 6.06 5.04 1 60 GLN 4.25 2.60 1 62 ALA 4.45 3.31 1 63 LEU 3.43 3.12 1 65 THR 8.00 5.93 1 67 GLN 4.64 3.12 1 68 LEU 4.83 3.72 1 69 VAL 6.86 5.64 1 70 ALA 3.95 2.84 1 72 THR 8.40 6.56 1 73 LYS 4.06 3.50 1 74 VAL 3.96 3.27 1 75 VAL 0.45 0.54 1 76 ALA 8.42 6.55 1 79 ILE -1.67 -1.23 1 80 SER 1.68 1.02 1 81 SER -1.52 -1.15 1 83 VAL 4.25 3.19 1 85 GLN 5.90 4.30 1 86 GLU 3.40 2.65 1 87 GLN 4.12 3.47 1 88 LEU 3.31 2.93 1 89 VAL 6.36 5.02 1 90 GLU 3.73 2.57 1 91 ALA 4.15 2.74 1 93 ARG 4.70 3.69 1 94 LEU 4.12 2.96 1 95 VAL 5.91 3.98 1 96 ALA 4.70 3.30 1 97 LYS 3.49 2.49 1 98 ALA 3.43 1.90 1 99 VAL 6.92 5.35 1 100 GLU 3.68 3.01 1 103 VAL 6.85 5.58 1 104 SER 4.92 3.58 1 105 ALA 3.51 2.46 1 106 SER 6.53 5.65 1 107 GLN 3.82 2.39 1 108 ALA 1.43 0.73 1 109 ALA -1.08 0.73 1 110 THR -1.36 -1.49 1 111 GLU -2.29 -1.55 1 112 ASP -0.15 0.82 1 114 GLN 4.71 3.38 1 115 LEU 2.95 2.35 1 116 LEU 3.88 2.82 1 117 ARG 4.61 3.43 1 119 VAL 6.06 5.01 1 121 ALA 3.56 2.44 1 122 ALA 3.24 1.95 1 123 ALA 4.22 3.48 1 124 THR 5.79 4.81 1 125 ALA 4.24 2.75 1 126 VAL 6.66 4.55 1 127 THR 6.97 5.39 1 128 GLN 4.85 3.55 1 129 ALA 4.38 2.45 1 130 LEU 2.83 2.86 1 131 ASN 4.37 3.10 1 132 GLU 3.78 3.09 1 133 LEU 4.52 3.65 1 134 LEU 4.20 2.37 1 135 GLN 3.39 2.06 1 136 HIS 1.80 2.97 1 137 VAL 1.11 0.15 1 138 LYS 1.03 1.43 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17350_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -2.29 _LACS_plot.Line_1_terminator_val_y_1 0.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.53 _LACS_plot.Line_2_terminator_val_x_2 8.41 _LACS_plot.Line_2_terminator_val_y_2 -2.16 _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 47 ASP -1.90 1.91 0 78 THR -1.06 -1.35 0 10 SER -0.01 0.15 1 11 ASP 0.46 -0.04 1 12 THR -0.14 0.25 1 13 ASP -0.69 0.94 1 15 HIS 2.94 -0.46 1 16 PHE 3.70 -0.62 1 17 GLN 4.57 -1.17 1 18 ASP 3.00 -0.30 1 19 VAL 5.79 -1.67 1 20 LEU 4.24 -1.06 1 21 MET 3.82 -1.97 1 22 GLN 5.24 -1.63 1 23 LEU 2.82 -0.30 1 24 ALA 4.77 -1.26 1 25 ASN 4.09 -1.21 1 26 ALA 4.10 -1.59 1 27 VAL 6.46 -2.06 1 28 ALA 4.60 -1.54 1 29 SER 4.69 -1.34 1 30 ALA 4.38 -2.13 1 31 ALA 3.15 -0.25 1 32 ALA 4.46 -1.70 1 33 ALA 3.66 -1.34 1 34 LEU 4.59 -1.48 1 35 VAL 6.93 -1.39 1 36 LEU 4.12 -0.62 1 37 LYS 3.32 -1.63 1 38 ALA 4.32 -1.64 1 39 LYS 6.08 -1.45 1 40 SER 5.09 -1.10 1 41 VAL 6.33 -1.99 1 42 ALA 4.07 -0.97 1 43 GLN 2.73 -0.63 1 44 ARG -0.51 -0.50 1 45 THR 1.06 -0.34 1 46 GLU 0.71 0.15 1 48 SER 4.35 -0.93 1 50 LEU 2.78 -0.43 1 51 GLN 4.32 0.53 1 52 THR 5.84 -0.93 1 53 GLN 4.27 -0.84 1 54 VAL 6.11 -1.35 1 55 ILE 5.20 -2.11 1 56 ALA 4.30 -1.39 1 57 ALA 3.90 -1.61 1 58 ALA 4.69 -1.52 1 59 THR 6.06 -1.02 1 60 GLN 4.25 -1.65 1 62 ALA 4.45 -1.14 1 63 LEU 3.43 -0.31 1 65 THR 8.00 -2.07 1 67 GLN 4.64 -1.52 1 68 LEU 4.83 -1.11 1 69 VAL 6.86 -1.22 1 70 ALA 3.95 -1.11 1 72 THR 8.40 -1.84 1 73 LYS 4.06 -0.56 1 74 VAL 3.96 -0.69 1 75 VAL 0.45 0.09 1 76 ALA 8.42 -1.87 1 79 ILE -1.67 0.44 1 80 SER 1.68 -0.66 1 81 SER -1.52 0.37 1 83 VAL 4.25 -1.06 1 85 GLN 5.90 -1.60 1 86 GLU 3.40 -0.75 1 87 GLN 4.12 -0.65 1 88 LEU 3.31 -0.38 1 89 VAL 6.36 -1.34 1 90 GLU 3.73 -1.16 1 91 ALA 4.15 -1.41 1 93 ARG 4.70 -1.01 1 94 LEU 4.12 -1.16 1 95 VAL 5.91 -1.93 1 96 ALA 4.70 -1.40 1 97 LYS 3.49 -1.00 1 98 ALA 3.43 -1.53 1 99 VAL 6.92 -1.57 1 100 GLU 3.68 -0.67 1 103 VAL 6.85 -1.27 1 104 SER 4.92 -1.34 1 105 ALA 3.51 -1.05 1 106 SER 6.53 -0.88 1 107 GLN 3.82 -1.43 1 108 ALA 1.43 -0.70 1 109 ALA -1.08 1.81 1 110 THR -1.36 -0.13 1 111 GLU -2.29 0.74 1 112 ASP -0.15 0.97 1 114 GLN 4.71 -1.33 1 115 LEU 2.95 -0.60 1 116 LEU 3.88 -1.06 1 117 ARG 4.61 -1.18 1 119 VAL 6.06 -1.05 1 121 ALA 3.56 -1.12 1 122 ALA 3.24 -1.29 1 123 ALA 4.22 -0.74 1 124 THR 5.79 -0.98 1 125 ALA 4.24 -1.49 1 126 VAL 6.66 -2.11 1 127 THR 6.97 -1.58 1 128 GLN 4.85 -1.30 1 129 ALA 4.38 -1.93 1 130 LEU 2.83 0.03 1 131 ASN 4.37 -1.27 1 132 GLU 3.78 -0.69 1 133 LEU 4.52 -0.87 1 134 LEU 4.20 -1.83 1 135 GLN 3.39 -1.33 1 136 HIS 1.80 1.17 1 137 VAL 1.11 -0.96 1 138 LYS 1.03 0.40 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17350_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -2.29 _LACS_plot.Line_1_terminator_val_y_1 -1.11 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.32 _LACS_plot.Line_2_terminator_val_x_2 8.40 _LACS_plot.Line_2_terminator_val_y_2 2.98 _LACS_plot.Y_axis_chem_shift_offset -0.46 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 47 ASP -1.90 4.19 0 110 THR -1.36 -4.33 0 10 SER -0.01 -0.30 1 11 ASP 0.46 0.06 1 12 THR -0.14 -0.49 1 15 HIS 2.94 2.18 1 16 PHE 3.70 1.58 1 17 GLN 4.57 0.97 1 18 ASP 3.00 2.20 1 19 VAL 5.79 1.42 1 20 LEU 4.24 1.10 1 21 MET 3.82 2.88 1 22 GLN 5.24 4.07 1 23 LEU 2.82 3.40 1 24 ALA 4.77 1.64 1 25 ASN 4.09 2.85 1 26 ALA 4.10 3.60 1 27 VAL 6.46 1.13 1 28 ALA 4.60 2.89 1 29 SER 4.69 2.78 1 30 ALA 4.38 3.19 1 31 ALA 3.15 0.89 1 32 ALA 4.46 0.62 1 33 ALA 3.66 2.44 1 34 LEU 4.59 -0.18 1 35 VAL 6.93 1.48 1 36 LEU 4.12 2.91 1 37 LYS 3.32 3.00 1 38 ALA 4.32 1.65 1 39 LYS 6.08 2.64 1 40 SER 5.09 2.06 1 41 VAL 6.33 2.95 1 42 ALA 4.07 1.19 1 43 GLN 2.73 0.77 1 44 ARG -0.51 -0.69 1 45 THR 1.06 -1.17 1 46 GLU 0.71 -0.19 1 48 SER 4.35 2.26 1 50 LEU 2.78 2.57 1 51 GLN 4.32 1.88 1 52 THR 5.84 1.79 1 53 GLN 4.27 3.09 1 54 VAL 6.11 1.20 1 55 ILE 5.20 2.72 1 56 ALA 4.30 2.83 1 57 ALA 3.90 3.25 1 58 ALA 4.69 1.56 1 59 THR 6.06 1.59 1 60 GLN 4.25 2.97 1 62 ALA 4.45 2.24 1 63 LEU 3.43 2.37 1 65 THR 8.00 1.49 1 67 GLN 4.64 2.34 1 68 LEU 4.83 1.69 1 69 VAL 6.86 0.92 1 70 ALA 3.95 2.14 1 72 THR 8.40 0.20 1 73 LYS 4.06 1.92 1 74 VAL 3.96 2.16 1 75 VAL 0.45 0.65 1 78 THR -1.06 1.49 1 79 ILE -1.67 -2.68 1 80 SER 1.68 0.87 1 83 VAL 4.25 4.15 1 85 GLN 5.90 1.76 1 86 GLU 3.40 2.44 1 87 GLN 4.12 2.97 1 88 LEU 3.31 0.85 1 89 VAL 6.36 3.01 1 90 GLU 3.73 1.95 1 91 ALA 4.15 4.02 1 93 ARG 4.70 3.13 1 94 LEU 4.12 3.13 1 95 VAL 5.91 1.06 1 96 ALA 4.70 3.11 1 97 LYS 3.49 2.62 1 98 ALA 3.43 3.74 1 99 VAL 6.92 1.44 1 100 GLU 3.68 3.19 1 103 VAL 6.85 1.68 1 104 SER 4.92 3.26 1 105 ALA 3.51 2.38 1 106 SER 6.53 0.21 1 107 GLN 3.82 1.11 1 108 ALA 1.43 0.39 1 109 ALA -1.08 -1.32 1 111 GLU -2.29 0.08 1 112 ASP -0.15 0.38 1 114 GLN 4.71 3.87 1 115 LEU 2.95 2.78 1 116 LEU 3.88 2.96 1 117 ARG 4.61 3.25 1 119 VAL 6.06 0.92 1 121 ALA 3.56 3.05 1 122 ALA 3.24 2.69 1 123 ALA 4.22 1.64 1 124 THR 5.79 1.07 1 125 ALA 4.24 3.48 1 126 VAL 6.66 0.99 1 127 THR 6.97 1.83 1 128 GLN 4.85 2.43 1 129 ALA 4.38 3.12 1 130 LEU 2.83 0.19 1 131 ASN 4.37 2.76 1 132 GLU 3.78 2.28 1 133 LEU 4.52 0.06 1 134 LEU 4.20 2.14 1 135 GLN 3.39 1.17 1 136 HIS 1.80 0.74 1 137 VAL 1.11 -2.68 1 stop_ save_