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 bmr19599_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -4.64 _LACS_plot.Line_1_terminator_val_y_1 -2.16 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.04 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.51 _LACS_plot.Line_2_terminator_val_x_2 6.42 _LACS_plot.Line_2_terminator_val_y_2 5.17 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 96 LYS 5.26 0.83 0 23 LYS 5.07 0.65 0 10 ALA 3.95 2.98 1 11 VAL 4.75 3.95 1 12 GLN 4.85 1.69 1 14 ASP 4.15 3.19 1 15 VAL 5.94 4.52 1 16 VAL 6.42 5.48 1 17 ARG 4.77 4.03 1 18 GLU 3.43 2.59 1 19 LEU 2.69 2.99 1 20 LYS 4.21 3.70 1 21 ALA 3.41 2.49 1 22 LYS 0.46 -0.53 1 24 ALA 0.32 0.74 1 26 LYS 4.18 3.77 1 27 GLU 4.84 3.45 1 28 ASP 3.62 2.55 1 29 VAL 6.30 5.26 1 30 ASP 4.44 3.23 1 31 ALA 3.54 2.63 1 32 ALA 2.00 2.10 1 33 VAL 5.37 4.51 1 34 LYS 4.95 4.04 1 35 GLN 3.75 2.51 1 36 LEU 3.88 3.57 1 37 LEU 4.62 3.27 1 38 SER 4.60 3.41 1 39 LEU 2.47 2.81 1 40 LYS 5.74 5.14 1 41 ALA 4.17 2.76 1 42 GLU 3.09 2.70 1 43 TYR 5.19 5.16 1 44 LYS 2.99 2.21 1 45 GLU 3.23 2.67 1 46 LYS 1.91 1.93 1 47 THR -0.76 0.69 1 49 GLN -4.64 -2.17 1 50 GLU -1.49 -0.89 1 51 TYR 2.90 2.38 1 52 LYS -3.66 -1.68 1 55 ASN -1.68 -0.40 1 58 ALA -1.68 -0.73 1 59 GLU -0.66 -0.41 1 60 ILE 0.26 0.17 1 62 GLN -0.20 0.10 1 63 ASN 0.35 0.19 1 64 ILE 0.22 0.06 1 65 SER 0.04 0.01 1 66 SER 0.34 0.25 1 67 ASN 0.22 0.20 1 68 SER 0.27 0.20 1 69 SER 0.98 0.79 1 70 ALA 1.01 0.91 1 71 SER 1.18 0.94 1 72 ILE 2.50 1.79 1 73 LEU 2.67 2.03 1 74 GLU 2.04 1.75 1 75 SER 4.64 3.51 1 76 LYS 3.46 2.86 1 77 SER 4.09 3.04 1 78 LEU 2.60 2.87 1 79 TYR 5.04 4.89 1 80 ASP 4.18 2.88 1 81 GLU 3.35 2.62 1 82 VAL 5.91 4.47 1 83 ALA 3.79 2.67 1 84 ALA 3.60 2.44 1 85 GLN 4.60 1.41 1 87 GLU 2.87 1.56 1 88 VAL 6.30 4.83 1 89 VAL 6.38 5.44 1 90 ARG 4.85 4.07 1 91 LYS 4.35 3.80 1 92 LEU 2.18 2.68 1 93 LYS 4.13 3.73 1 94 ALA 3.26 2.36 1 95 GLU -0.31 -0.95 1 97 SER 3.02 2.31 1 99 LYS 4.39 3.55 1 100 ALA 3.44 2.81 1 101 LYS 2.43 1.50 1 102 ILE 5.39 4.88 1 103 ASN 4.53 3.17 1 104 GLU 2.95 2.71 1 105 ALA 2.02 2.13 1 106 VAL 5.33 4.52 1 107 GLU 4.61 3.28 1 109 LEU 3.89 3.62 1 110 LEU 4.66 3.33 1 111 SER 4.30 3.17 1 112 LEU 2.63 3.00 1 113 LYS 5.82 5.12 1 114 ALA 4.18 2.77 1 115 GLN 3.50 3.28 1 116 TYR 5.17 5.13 1 117 LYS 2.90 2.07 1 118 GLU 3.22 2.59 1 119 LYS 1.97 1.82 1 120 THR -0.66 0.71 1 122 LYS -3.98 -1.64 1 123 GLU -1.53 -0.95 1 124 TYR 2.56 1.92 1 125 ILE -3.56 -1.71 1 128 GLN -2.64 -2.99 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19599_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -4.64 _LACS_plot.Line_1_terminator_val_y_1 2.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.96 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.49 _LACS_plot.Line_2_terminator_val_x_2 6.42 _LACS_plot.Line_2_terminator_val_y_2 -1.25 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 96 LYS 5.26 -4.43 0 23 LYS 5.07 -4.42 0 10 ALA 3.95 -0.97 1 11 VAL 4.75 -0.80 1 12 GLN 4.85 -3.16 1 14 ASP 4.15 -0.96 1 15 VAL 5.94 -1.42 1 16 VAL 6.42 -0.94 1 17 ARG 4.77 -0.74 1 18 GLU 3.43 -0.84 1 19 LEU 2.69 0.30 1 20 LYS 4.21 -0.51 1 21 ALA 3.41 -0.92 1 22 LYS 0.46 -0.99 1 24 ALA 0.32 0.42 1 26 LYS 4.18 -0.41 1 27 GLU 4.84 -1.39 1 28 ASP 3.62 -1.07 1 29 VAL 6.30 -1.04 1 30 ASP 4.44 -1.21 1 31 ALA 3.54 -0.91 1 32 ALA 2.00 0.10 1 33 VAL 5.37 -0.86 1 34 LYS 4.95 -0.91 1 35 GLN 3.75 -1.24 1 36 LEU 3.88 -0.31 1 37 LEU 4.62 -1.35 1 38 SER 4.60 -1.19 1 39 LEU 2.47 0.34 1 40 LYS 5.74 -0.60 1 41 ALA 4.17 -1.41 1 42 GLU 3.09 -0.39 1 43 TYR 5.19 -0.03 1 44 LYS 2.99 -0.78 1 45 GLU 3.23 -0.56 1 46 LYS 1.91 0.02 1 47 THR -0.76 1.45 1 49 GLN -4.64 2.47 1 50 GLU -1.49 0.60 1 51 TYR 2.90 -0.52 1 52 LYS -3.66 1.98 1 55 ASN -1.68 1.28 1 58 ALA -1.68 0.95 1 59 GLU -0.66 0.25 1 60 ILE 0.26 -0.09 1 62 GLN -0.20 0.30 1 63 ASN 0.35 -0.16 1 64 ILE 0.22 -0.16 1 65 SER 0.04 -0.03 1 66 SER 0.34 -0.09 1 67 ASN 0.22 -0.02 1 68 SER 0.27 -0.07 1 69 SER 0.98 -0.19 1 70 ALA 1.01 -0.10 1 71 SER 1.18 -0.24 1 72 ILE 2.50 -0.71 1 73 LEU 2.67 -0.64 1 74 GLU 2.04 -0.29 1 75 SER 4.64 -1.13 1 76 LYS 3.46 -0.60 1 77 SER 4.09 -1.05 1 78 LEU 2.60 0.27 1 79 TYR 5.04 -0.15 1 80 ASP 4.18 -1.30 1 81 GLU 3.35 -0.73 1 82 VAL 5.91 -1.44 1 83 ALA 3.79 -1.12 1 84 ALA 3.60 -1.16 1 85 GLN 4.60 -3.19 1 87 GLU 2.87 -1.31 1 88 VAL 6.30 -1.47 1 89 VAL 6.38 -0.94 1 90 ARG 4.85 -0.78 1 91 LYS 4.35 -0.55 1 92 LEU 2.18 0.50 1 93 LYS 4.13 -0.40 1 94 ALA 3.26 -0.90 1 95 GLU -0.31 -0.64 1 97 SER 3.02 -0.71 1 99 LYS 4.39 -0.84 1 100 ALA 3.44 -0.63 1 101 LYS 2.43 -0.93 1 102 ILE 5.39 -0.51 1 103 ASN 4.53 -1.36 1 104 GLU 2.95 -0.24 1 105 ALA 2.02 0.11 1 106 VAL 5.33 -0.81 1 107 GLU 4.61 -1.33 1 109 LEU 3.89 -0.27 1 110 LEU 4.66 -1.33 1 111 SER 4.30 -1.13 1 112 LEU 2.63 0.37 1 113 LYS 5.82 -0.70 1 114 ALA 4.18 -1.41 1 115 GLN 3.50 -0.22 1 116 TYR 5.17 -0.04 1 117 LYS 2.90 -0.83 1 118 GLU 3.22 -0.63 1 119 LYS 1.97 -0.15 1 120 THR -0.66 1.37 1 122 LYS -3.98 2.34 1 123 GLU -1.53 0.58 1 124 TYR 2.56 -0.64 1 125 ILE -3.56 1.85 1 128 GLN -2.64 -0.35 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19599_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -4.64 _LACS_plot.Line_1_terminator_val_y_1 0.28 _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 0.10 _LACS_plot.Line_2_terminator_val_x_2 6.42 _LACS_plot.Line_2_terminator_val_y_2 -0.53 _LACS_plot.Y_axis_chem_shift_offset 0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 82 VAL 5.91 -1.00 0 52 LYS -3.66 -0.13 0 125 ILE -3.56 -0.21 0 10 ALA 3.95 -0.55 1 11 VAL 4.75 -0.36 1 12 GLN 4.85 -0.25 1 14 ASP 4.15 -0.13 1 15 VAL 5.94 -0.49 1 16 VAL 6.42 -0.81 1 17 ARG 4.77 -0.48 1 18 GLU 3.43 -0.27 1 19 LEU 2.69 -0.41 1 20 LYS 4.21 -0.30 1 21 ALA 3.41 -0.21 1 22 LYS 0.46 -0.03 1 23 LYS 5.07 -0.45 1 24 ALA 0.32 -0.23 1 26 LYS 4.18 -0.49 1 27 GLU 4.84 -0.27 1 28 ASP 3.62 -0.19 1 29 VAL 6.30 -0.73 1 30 ASP 4.44 -0.37 1 31 ALA 3.54 -0.20 1 32 ALA 2.00 -0.24 1 33 VAL 5.37 -0.58 1 34 LYS 4.95 -0.39 1 35 GLN 3.75 -0.07 1 36 LEU 3.88 -0.48 1 37 LEU 4.62 -0.42 1 38 SER 4.60 -0.19 1 39 LEU 2.47 -0.20 1 40 LYS 5.74 -0.59 1 41 ALA 4.17 -0.04 1 42 GLU 3.09 -0.27 1 43 TYR 5.19 -0.61 1 44 LYS 2.99 0.12 1 45 GLU 3.23 -0.41 1 46 LYS 1.91 -0.18 1 47 THR -0.76 0.02 1 49 GLN -4.64 0.27 1 50 GLU -1.49 0.04 1 51 TYR 2.90 -0.68 1 55 ASN -1.68 0.03 1 58 ALA -1.68 -0.05 1 59 GLU -0.66 -0.13 1 60 ILE 0.26 -0.04 1 62 GLN -0.20 -0.04 1 63 ASN 0.35 -0.06 1 64 ILE 0.22 0.01 1 65 SER 0.04 -0.01 1 66 SER 0.34 -0.03 1 67 ASN 0.22 0.01 1 68 SER 0.27 -0.01 1 69 SER 0.98 -0.08 1 70 ALA 1.01 -0.05 1 71 SER 1.18 -0.09 1 72 ILE 2.50 -0.15 1 73 LEU 2.67 -0.15 1 74 GLU 2.04 -0.16 1 75 SER 4.64 -0.35 1 76 LYS 3.46 -0.19 1 77 SER 4.09 -0.07 1 78 LEU 2.60 -0.03 1 79 TYR 5.04 -0.78 1 80 ASP 4.18 -0.23 1 81 GLU 3.35 -0.25 1 83 ALA 3.79 -0.51 1 84 ALA 3.60 -0.21 1 85 GLN 4.60 -0.15 1 87 GLU 2.87 -0.01 1 88 VAL 6.30 -0.56 1 89 VAL 6.38 -0.84 1 90 ARG 4.85 -0.54 1 91 LYS 4.35 -0.40 1 92 LEU 2.18 -0.31 1 93 LYS 4.13 -0.31 1 94 ALA 3.26 -0.20 1 95 GLU -0.31 -0.10 1 96 LYS 5.26 -0.42 1 97 SER 3.02 -0.24 1 99 LYS 4.39 -0.52 1 100 ALA 3.44 -0.22 1 101 LYS 2.43 -0.18 1 102 ILE 5.39 -0.67 1 103 ASN 4.53 -0.41 1 104 GLU 2.95 -0.31 1 105 ALA 2.02 -0.25 1 106 VAL 5.33 -0.58 1 107 GLU 4.61 -0.41 1 109 LEU 3.89 -0.48 1 110 LEU 4.66 -0.42 1 111 SER 4.30 -0.15 1 112 LEU 2.63 -0.26 1 113 LYS 5.82 -0.59 1 114 ALA 4.18 -0.04 1 115 GLN 3.50 -0.26 1 116 TYR 5.17 -0.61 1 117 LYS 2.90 0.13 1 118 GLU 3.22 -0.42 1 119 LYS 1.97 -0.18 1 120 THR -0.66 -0.01 1 122 LYS -3.98 0.28 1 123 GLU -1.53 0.04 1 124 TYR 2.56 -0.65 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19599_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -4.64 _LACS_plot.Line_1_terminator_val_y_1 -1.90 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.00 _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 6.42 _LACS_plot.Line_2_terminator_val_y_2 2.59 _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 122 LYS -3.98 -3.05 0 49 GLN -4.64 -2.85 0 10 ALA 3.95 3.06 1 11 VAL 4.75 2.00 1 12 GLN 4.85 2.11 1 14 ASP 4.15 1.47 1 15 VAL 5.94 1.87 1 16 VAL 6.42 0.38 1 17 ARG 4.77 2.88 1 18 GLU 3.43 1.83 1 19 LEU 2.69 1.61 1 20 LYS 4.21 3.91 1 21 ALA 3.41 1.19 1 22 LYS 0.46 -1.41 1 23 LYS 5.07 -1.22 1 26 LYS 4.18 0.71 1 27 GLU 4.84 2.24 1 28 ASP 3.62 2.49 1 29 VAL 6.30 0.83 1 30 ASP 4.44 2.80 1 31 ALA 3.54 1.96 1 32 ALA 2.00 2.59 1 33 VAL 5.37 0.95 1 34 LYS 4.95 2.82 1 35 GLN 3.75 1.68 1 36 LEU 3.88 -0.22 1 37 LEU 4.62 2.72 1 38 SER 4.60 2.61 1 39 LEU 2.47 1.54 1 40 LYS 5.74 2.70 1 41 ALA 4.17 2.24 1 42 GLU 3.09 1.25 1 43 TYR 5.19 1.89 1 44 LYS 2.99 2.74 1 45 GLU 3.23 1.59 1 46 LYS 1.91 1.50 1 47 THR -0.76 1.33 1 50 GLU -1.49 0.67 1 51 TYR 2.90 -1.93 1 58 ALA -1.68 -0.71 1 59 GLU -0.66 -0.78 1 60 ILE 0.26 -0.07 1 62 GLN -0.20 -0.72 1 63 ASN 0.35 -0.51 1 64 ILE 0.22 -0.41 1 66 SER 0.34 -0.58 1 67 ASN 0.22 -0.17 1 68 SER 0.27 -0.21 1 69 SER 0.98 -0.12 1 70 ALA 1.01 0.45 1 71 SER 1.18 1.14 1 72 ILE 2.50 0.76 1 73 LEU 2.67 1.22 1 74 GLU 2.04 1.55 1 75 SER 4.64 0.62 1 76 LYS 3.46 0.91 1 77 SER 4.09 2.19 1 78 LEU 2.60 0.61 1 79 TYR 5.04 0.74 1 80 ASP 4.18 2.89 1 81 GLU 3.35 2.49 1 82 VAL 5.91 1.52 1 83 ALA 3.79 3.24 1 84 ALA 3.60 2.68 1 85 GLN 4.60 2.13 1 87 GLU 2.87 1.13 1 88 VAL 6.30 1.74 1 89 VAL 6.38 0.17 1 90 ARG 4.85 3.01 1 91 LYS 4.35 1.67 1 92 LEU 2.18 2.95 1 93 LYS 4.13 3.27 1 94 ALA 3.26 1.26 1 95 GLU -0.31 -1.59 1 96 LYS 5.26 -0.73 1 99 LYS 4.39 1.07 1 100 ALA 3.44 2.38 1 101 LYS 2.43 2.78 1 102 ILE 5.39 0.55 1 103 ASN 4.53 2.51 1 104 GLU 2.95 1.54 1 105 ALA 2.02 2.58 1 106 VAL 5.33 0.93 1 107 GLU 4.61 2.43 1 109 LEU 3.89 -0.25 1 110 LEU 4.66 2.66 1 111 SER 4.30 2.72 1 112 LEU 2.63 1.62 1 113 LYS 5.82 2.68 1 114 ALA 4.18 2.58 1 115 GLN 3.50 1.80 1 116 TYR 5.17 1.78 1 117 LYS 2.90 2.77 1 118 GLU 3.22 1.42 1 119 LYS 1.97 1.35 1 120 THR -0.66 1.31 1 123 GLU -1.53 0.58 1 124 TYR 2.56 -2.21 1 stop_ save_