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 bmr30237_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.16 _LACS_plot.Line_1_terminator_val_y_1 -1.88 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.34 _LACS_plot.Line_2_terminator_val_x_2 8.67 _LACS_plot.Line_2_terminator_val_y_2 6.82 _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 87 THR -5.16 -1.44 0 12 ALA -0.09 0.20 1 13 ARG 0.61 0.31 1 15 ALA -0.69 0.07 1 16 LEU -1.12 -0.57 1 17 SER -2.41 -1.08 1 18 ALA 2.76 2.06 1 19 HIS -0.41 0.62 1 20 THR 2.69 2.67 1 21 LEU 2.14 0.58 1 22 LEU 3.81 2.90 1 23 PHE 2.73 2.21 1 24 ASP -0.37 0.00 1 25 LEU 0.62 0.86 1 28 ALA 3.23 2.70 1 29 LEU 3.42 1.96 1 30 LEU 4.16 3.30 1 32 GLU 2.95 2.92 1 33 LEU 3.18 3.04 1 35 ALA 4.13 2.95 1 36 VAL 4.78 3.83 1 37 LEU 4.84 4.60 1 38 ASP 3.22 2.73 1 39 SER 0.83 1.22 1 41 ASP -2.18 -0.62 1 43 ALA 1.97 1.74 1 44 LEU -0.60 -0.82 1 46 TRP 4.69 2.85 1 47 ARG 6.14 4.07 1 49 LEU 3.56 2.86 1 50 ALA 3.97 2.95 1 51 GLU 2.69 2.48 1 52 ARG 1.98 1.35 1 53 LEU 1.35 0.18 1 55 SER 1.87 1.02 1 56 SER 0.13 0.21 1 58 LEU -0.42 -0.23 1 59 ASP 2.60 3.87 1 60 VAL 5.00 3.94 1 61 ASP 3.08 3.31 1 62 HIS 3.75 4.00 1 63 ILE 5.32 3.73 1 64 GLU 3.56 3.24 1 65 LYS 3.61 2.75 1 66 GLU 4.13 2.65 1 68 ASP 2.81 2.71 1 69 GLN 0.09 -0.12 1 71 LYS -0.49 -0.62 1 72 SER 3.19 4.38 1 74 THR 8.68 6.67 1 75 ARG 5.75 4.80 1 76 GLU 1.79 2.17 1 77 LEU 3.08 3.34 1 78 LEU 4.32 3.12 1 79 TRP 3.23 2.86 1 80 SER -0.03 0.01 1 81 TRP 3.29 2.81 1 82 ALA 2.52 1.90 1 83 GLN 2.59 1.57 1 84 LYS 1.25 -1.17 1 85 ASN 3.26 1.41 1 86 LYS -1.83 -2.29 1 88 ILE 3.70 2.32 1 90 ASP 3.48 3.73 1 91 LEU 3.03 2.66 1 92 LEU 4.00 3.48 1 93 GLN 4.92 3.91 1 94 VAL 4.88 3.82 1 95 LEU 3.50 2.95 1 96 GLN 4.95 3.59 1 97 GLU 3.59 2.95 1 98 MET -1.09 1.78 1 100 HIS -0.23 0.88 1 101 ARG 4.64 3.98 1 102 ARG 4.07 3.63 1 103 ALA 2.92 2.75 1 104 ILE 4.69 4.79 1 105 HIS 3.39 4.78 1 106 LEU 3.10 2.95 1 107 ILE 3.96 3.79 1 108 THR 3.84 3.30 1 109 ASN 0.96 0.95 1 110 TYR 2.95 2.75 1 112 ALA -0.29 0.01 1 113 VAL -0.24 -0.19 1 114 LEU -0.48 -0.23 1 115 SER -0.24 -0.05 1 117 SER 0.55 0.45 1 118 GLU 0.09 0.23 1 119 LYS 0.34 0.33 1 120 SER 0.24 0.24 1 121 TYR 0.42 0.30 1 122 GLN 0.95 0.03 1 123 GLU -0.59 0.06 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30237_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.16 _LACS_plot.Line_1_terminator_val_y_1 3.28 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.66 _LACS_plot.Line_2_terminator_val_x_2 8.67 _LACS_plot.Line_2_terminator_val_y_2 -1.85 _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 87 THR -5.16 3.72 0 12 ALA -0.09 0.29 1 13 ARG 0.61 -0.30 1 15 ALA -0.69 0.76 1 16 LEU -1.12 0.55 1 17 SER -2.41 1.33 1 18 ALA 2.76 -0.70 1 19 HIS -0.41 1.03 1 20 THR 2.69 -0.02 1 21 LEU 2.14 -1.56 1 22 LEU 3.81 -0.91 1 23 PHE 2.73 -0.52 1 24 ASP -0.37 0.37 1 25 LEU 0.62 0.24 1 28 ALA 3.23 -0.53 1 29 LEU 3.42 -1.46 1 30 LEU 4.16 -0.86 1 32 GLU 2.95 -0.03 1 33 LEU 3.18 -0.14 1 35 ALA 4.13 -1.18 1 36 VAL 4.78 -0.95 1 37 LEU 4.84 -0.24 1 38 ASP 3.22 -0.49 1 39 SER 0.83 0.39 1 41 ASP -2.18 1.56 1 43 ALA 1.97 -0.23 1 44 LEU -0.60 -0.22 1 46 TRP 4.69 -1.84 1 47 ARG 6.14 -2.07 1 49 LEU 3.56 -0.70 1 50 ALA 3.97 -1.02 1 51 GLU 2.69 -0.21 1 52 ARG 1.98 -0.63 1 53 LEU 1.35 -1.17 1 55 SER 1.87 -0.85 1 56 SER 0.13 0.08 1 58 LEU -0.42 0.19 1 59 ASP 2.60 1.27 1 60 VAL 5.00 -1.06 1 61 ASP 3.08 0.23 1 62 HIS 3.75 0.25 1 63 ILE 5.32 -1.59 1 64 GLU 3.56 -0.32 1 65 LYS 3.61 -0.86 1 66 GLU 4.13 -1.48 1 68 ASP 2.81 -0.10 1 69 GLN 0.09 -0.21 1 71 LYS -0.49 -0.13 1 72 SER 3.19 1.19 1 74 THR 8.68 -2.01 1 75 ARG 5.75 -0.95 1 76 GLU 1.79 0.38 1 77 LEU 3.08 0.26 1 78 LEU 4.32 -1.20 1 79 TRP 3.23 -0.37 1 80 SER -0.03 0.04 1 81 TRP 3.29 -0.48 1 82 ALA 2.52 -0.62 1 83 GLN 2.59 -1.02 1 84 LYS 1.25 -2.42 1 85 ASN 3.26 -1.85 1 86 LYS -1.83 -0.46 1 88 ILE 3.70 -1.38 1 90 ASP 3.48 0.25 1 91 LEU 3.03 -0.37 1 92 LEU 4.00 -0.52 1 93 GLN 4.92 -1.01 1 94 VAL 4.88 -1.06 1 95 LEU 3.50 -0.55 1 96 GLN 4.95 -1.36 1 97 GLU 3.59 -0.64 1 98 MET -1.09 2.87 1 100 HIS -0.23 1.11 1 101 ARG 4.64 -0.66 1 102 ARG 4.07 -0.44 1 103 ALA 2.92 -0.17 1 104 ILE 4.69 0.10 1 105 HIS 3.39 1.39 1 106 LEU 3.10 -0.15 1 107 ILE 3.96 -0.17 1 108 THR 3.84 -0.54 1 109 ASN 0.96 -0.01 1 110 TYR 2.95 -0.20 1 112 ALA -0.29 0.30 1 113 VAL -0.24 0.05 1 114 LEU -0.48 0.25 1 115 SER -0.24 0.19 1 117 SER 0.55 -0.10 1 118 GLU 0.09 0.14 1 119 LYS 0.34 -0.01 1 120 SER 0.24 0.00 1 121 TYR 0.42 -0.12 1 122 GLN 0.95 -0.92 1 123 GLU -0.59 0.65 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30237_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.16 _LACS_plot.Line_1_terminator_val_y_1 0.41 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.16 _LACS_plot.Line_2_terminator_val_x_2 8.67 _LACS_plot.Line_2_terminator_val_y_2 -0.68 _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 38 ASP 3.22 0.37 0 87 THR -5.16 0.66 0 12 ALA -0.09 0.04 1 13 ARG 0.61 0.05 1 15 ALA -0.69 0.11 1 16 LEU -1.12 0.13 1 17 SER -2.41 0.12 1 18 ALA 2.76 -0.46 1 19 HIS -0.41 -0.10 1 20 THR 2.69 -0.31 1 21 LEU 2.14 0.00 1 22 LEU 3.81 -0.14 1 23 PHE 2.73 -0.23 1 24 ASP -0.37 0.32 1 25 LEU 0.62 -0.48 1 28 ALA 3.23 -0.06 1 29 LEU 3.42 -0.17 1 30 LEU 4.16 -0.46 1 32 GLU 2.95 -0.12 1 33 LEU 3.18 -0.45 1 35 ALA 4.13 -0.20 1 36 VAL 4.78 -0.25 1 37 LEU 4.84 -0.01 1 39 SER 0.83 0.15 1 41 ASP -2.18 0.20 1 43 ALA 1.97 -0.30 1 44 LEU -0.60 0.13 1 46 TRP 4.69 -0.52 1 47 ARG 6.14 -0.99 1 49 LEU 3.56 -0.24 1 50 ALA 3.97 -0.47 1 51 GLU 2.69 -0.20 1 52 ARG 1.98 -0.11 1 53 LEU 1.35 -0.23 1 55 SER 1.87 -0.24 1 58 LEU -0.42 0.09 1 59 ASP 2.60 -0.11 1 60 VAL 5.00 -0.31 1 61 ASP 3.08 -0.19 1 62 HIS 3.75 -0.35 1 63 ILE 5.32 -0.80 1 64 GLU 3.56 -0.29 1 65 LYS 3.61 -0.15 1 66 GLU 4.13 -0.14 1 68 ASP 2.81 -0.06 1 69 GLN 0.09 0.09 1 71 LYS -0.49 0.03 1 72 SER 3.19 -0.71 1 74 THR 8.68 -0.65 1 75 ARG 5.75 -0.62 1 76 GLU 1.79 -0.19 1 77 LEU 3.08 -0.48 1 78 LEU 4.32 -0.15 1 79 TRP 3.23 -0.26 1 80 SER -0.03 -0.02 1 81 TRP 3.29 -0.16 1 82 ALA 2.52 -0.70 1 83 GLN 2.59 -0.54 1 84 LYS 1.25 0.12 1 85 ASN 3.26 -0.34 1 86 LYS -1.83 -0.12 1 88 ILE 3.70 -0.24 1 91 LEU 3.03 0.09 1 92 LEU 4.00 -0.44 1 93 GLN 4.92 -0.22 1 94 VAL 4.88 -0.23 1 95 LEU 3.50 -0.15 1 96 GLN 4.95 -0.28 1 97 GLU 3.59 -0.12 1 98 MET -1.09 -0.37 1 100 HIS -0.23 -0.14 1 101 ARG 4.64 -0.41 1 102 ARG 4.07 -0.13 1 103 ALA 2.92 -0.34 1 104 ILE 4.69 -0.73 1 105 HIS 3.39 -0.47 1 106 LEU 3.10 -0.20 1 107 ILE 3.96 -0.45 1 108 THR 3.84 -0.23 1 109 ASN 0.96 0.22 1 110 TYR 2.95 -0.25 1 112 ALA -0.29 0.04 1 113 VAL -0.24 0.03 1 114 LEU -0.48 0.09 1 115 SER -0.24 -0.40 1 117 SER 0.55 -0.02 1 118 GLU 0.09 -0.02 1 119 LYS 0.34 0.01 1 120 SER 0.24 -0.02 1 121 TYR 0.42 0.04 1 122 GLN 0.95 0.00 1 123 GLU -0.59 -0.03 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30237_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.16 _LACS_plot.Line_1_terminator_val_y_1 -2.23 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.89 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.70 _LACS_plot.Line_2_terminator_val_x_2 8.67 _LACS_plot.Line_2_terminator_val_y_2 3.57 _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 80 SER -0.03 4.90 0 87 THR -5.16 1.64 0 12 ALA -0.09 0.03 1 13 ARG 0.61 0.42 1 15 ALA -0.69 -0.13 1 16 LEU -1.12 -1.56 1 17 SER -2.41 0.92 1 18 ALA 2.76 -0.19 1 19 HIS -0.41 1.00 1 20 THR 2.69 -0.87 1 21 LEU 2.14 1.25 1 22 LEU 3.81 1.09 1 23 PHE 2.73 0.37 1 24 ASP -0.37 -0.13 1 28 ALA 3.23 2.79 1 29 LEU 3.42 0.34 1 30 LEU 4.16 1.60 1 32 GLU 2.95 2.02 1 33 LEU 3.18 1.08 1 35 ALA 4.13 3.27 1 36 VAL 4.78 2.91 1 37 LEU 4.84 2.04 1 38 ASP 3.22 1.63 1 39 SER 0.83 -0.45 1 41 ASP -2.18 0.57 1 43 ALA 1.97 -0.20 1 44 LEU -0.60 -1.44 1 46 TRP 4.69 1.65 1 47 ARG 6.14 3.21 1 49 LEU 3.56 0.49 1 50 ALA 3.97 2.08 1 51 GLU 2.69 2.55 1 52 ARG 1.98 1.52 1 53 LEU 1.35 -0.57 1 55 SER 1.87 0.22 1 56 SER 0.13 0.05 1 58 LEU -0.42 -1.49 1 59 ASP 2.60 1.12 1 60 VAL 5.00 0.90 1 61 ASP 3.08 1.82 1 62 HIS 3.75 2.88 1 63 ILE 5.32 1.22 1 64 GLU 3.56 2.20 1 65 LYS 3.61 2.79 1 66 GLU 4.13 2.82 1 68 ASP 2.81 1.17 1 69 GLN 0.09 0.28 1 71 LYS -0.49 -0.91 1 74 THR 8.68 1.53 1 75 ARG 5.75 2.49 1 76 GLU 1.79 3.09 1 77 LEU 3.08 1.44 1 78 LEU 4.32 1.61 1 79 TRP 3.23 2.40 1 81 TRP 3.29 2.17 1 82 ALA 2.52 1.61 1 83 GLN 2.59 0.32 1 84 LYS 1.25 -1.56 1 85 ASN 3.26 -1.29 1 86 LYS -1.83 0.70 1 88 ILE 3.70 0.82 1 90 ASP 3.48 2.80 1 91 LEU 3.03 0.41 1 92 LEU 4.00 0.86 1 93 GLN 4.92 2.55 1 94 VAL 4.88 2.00 1 95 LEU 3.50 2.37 1 96 GLN 4.95 3.86 1 97 GLU 3.59 2.27 1 98 MET -1.09 -0.24 1 100 HIS -0.23 0.78 1 101 ARG 4.64 2.18 1 102 ARG 4.07 2.60 1 103 ALA 2.92 0.58 1 104 ILE 4.69 2.14 1 105 HIS 3.39 3.00 1 106 LEU 3.10 1.01 1 107 ILE 3.96 1.69 1 108 THR 3.84 1.87 1 109 ASN 0.96 0.23 1 110 TYR 2.95 0.73 1 112 ALA -0.29 -0.73 1 113 VAL -0.24 -0.44 1 114 LEU -0.48 -0.71 1 117 SER 0.55 0.25 1 118 GLU 0.09 -0.04 1 119 LYS 0.34 -0.04 1 120 SER 0.24 0.90 1 122 GLN 0.95 -0.63 1 123 GLU -0.59 -0.74 1 stop_ save_