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 bmr25062_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.26 _LACS_plot.Line_1_terminator_val_y_1 -2.47 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.81 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.44 _LACS_plot.Line_2_terminator_val_x_2 6.74 _LACS_plot.Line_2_terminator_val_y_2 5.27 _LACS_plot.Y_axis_chem_shift_offset -0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 25 HIS 1.57 4.44 0 11 ASP -3.37 -1.23 1 12 GLU 2.43 1.86 1 13 ARG 4.96 3.42 1 14 ILE 5.52 4.06 1 15 ALA 4.64 3.39 1 16 GLU 2.36 1.68 1 17 GLU 3.38 2.63 1 18 LEU 4.24 2.71 1 19 ARG 6.48 4.92 1 20 LYS 4.21 3.55 1 21 GLU 3.24 2.50 1 22 VAL 6.37 4.92 1 23 GLN 3.92 3.07 1 24 LYS 2.39 2.21 1 26 ASP -2.00 -0.53 1 28 ASN 0.52 0.71 1 29 VAL 1.87 0.97 1 30 LYS -0.16 -0.83 1 31 THR -4.88 -3.26 1 32 VAL -2.37 -1.07 1 34 THR 4.30 2.81 1 35 LYS 2.73 1.93 1 36 ASP -0.77 -0.76 1 37 LYS 3.36 3.11 1 38 GLU 2.59 1.90 1 39 LYS 0.79 0.11 1 40 VAL 6.66 5.42 1 41 LYS 6.74 5.09 1 42 GLU 2.97 2.66 1 43 GLU 3.11 1.85 1 44 ILE 6.56 5.30 1 45 GLU 3.64 2.89 1 46 LYS 4.10 3.70 1 47 ALA 4.30 2.90 1 48 ARG 4.74 3.29 1 49 LYS 3.22 2.77 1 50 GLN -0.14 0.27 1 52 ARG -3.23 -1.02 1 54 ILE -5.26 -2.33 1 55 VAL -2.28 -1.91 1 56 VAL -3.14 -1.66 1 57 PHE 0.22 0.51 1 58 VAL -3.13 -1.32 1 59 ARG 0.93 0.54 1 62 ASP -0.38 -1.67 1 63 ASP 2.67 3.14 1 64 GLU 3.64 2.78 1 65 ARG 3.31 3.05 1 66 ALA 3.71 2.97 1 67 LYS 4.25 3.37 1 68 ASP 3.00 3.29 1 69 ILE 5.07 4.13 1 70 ALA 4.00 3.04 1 71 GLU 3.15 2.83 1 72 TYR 3.97 3.41 1 73 ALA 3.27 2.67 1 74 GLN 3.68 3.48 1 75 LYS 4.37 3.03 1 76 GLU -0.64 -0.74 1 78 LEU -0.51 -0.80 1 79 ARG -0.59 -0.12 1 80 VAL -1.66 -0.56 1 81 ILE -3.65 -1.37 1 82 VAL -3.40 -1.88 1 83 ILE -2.10 -1.08 1 84 ILE -1.28 -0.05 1 85 VAL -1.11 -2.14 1 86 SER -0.49 -0.17 1 87 GLN 1.01 0.73 1 88 ASP -1.22 -1.12 1 89 GLU 3.21 2.94 1 90 GLU 2.93 2.21 1 91 ALA 3.42 2.20 1 92 LEU 3.07 2.85 1 93 ARG 4.10 3.34 1 94 LYS 3.70 3.03 1 96 TYR 3.75 3.54 1 97 GLU 3.01 2.65 1 98 ASP 2.02 2.91 1 99 LYS 2.53 1.81 1 100 LYS 3.71 1.98 1 101 LYS 3.13 2.27 1 102 LYS 0.69 -0.41 1 104 TYR -2.39 -3.45 1 105 ASP -0.68 0.02 1 106 VAL -3.64 -2.16 1 107 TYR -4.93 -1.84 1 108 THR -3.40 -2.29 1 109 SER -4.29 -0.33 1 110 ARG -0.91 0.01 1 111 ASN -2.95 -1.73 1 112 GLU 2.88 3.59 1 113 ASP 4.05 3.90 1 114 GLU 1.88 2.64 1 115 ALA 1.95 2.71 1 116 LYS 5.01 4.72 1 117 LYS 4.12 3.40 1 118 LYS 3.32 1.36 1 119 LEU 3.04 2.81 1 120 LYS 5.43 4.09 1 121 GLU 3.48 2.94 1 122 ALA 3.13 2.46 1 123 LEU 4.34 2.79 1 124 GLU 3.22 2.84 1 125 LYS 2.49 1.75 1 126 SER 1.63 1.31 1 128 SER 0.15 -0.31 1 129 LEU -0.13 -0.22 1 130 GLU -0.17 0.21 1 131 HIS -0.68 1.15 1 132 HIS 0.51 2.52 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25062_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.26 _LACS_plot.Line_1_terminator_val_y_1 2.79 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.56 _LACS_plot.Line_2_terminator_val_x_2 6.74 _LACS_plot.Line_2_terminator_val_y_2 -1.47 _LACS_plot.Y_axis_chem_shift_offset -0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 25 HIS 1.57 2.87 0 11 ASP -3.37 2.14 1 12 GLU 2.43 -0.57 1 13 ARG 4.96 -1.54 1 14 ILE 5.52 -1.46 1 15 ALA 4.64 -1.25 1 16 GLU 2.36 -0.68 1 17 GLU 3.38 -0.75 1 18 LEU 4.24 -1.53 1 19 ARG 6.48 -1.56 1 20 LYS 4.21 -0.66 1 21 GLU 3.24 -0.74 1 22 VAL 6.37 -1.45 1 23 GLN 3.92 -0.85 1 24 LYS 2.39 -0.18 1 26 ASP -2.00 1.47 1 28 ASN 0.52 0.19 1 29 VAL 1.87 -0.90 1 30 LYS -0.16 -0.67 1 31 THR -4.88 1.62 1 32 VAL -2.37 1.30 1 34 THR 4.30 -1.49 1 35 LYS 2.73 -0.80 1 36 ASP -0.77 0.01 1 37 LYS 3.36 -0.25 1 38 GLU 2.59 -0.69 1 39 LYS 0.79 -0.68 1 40 VAL 6.66 -1.24 1 41 LYS 6.74 -1.65 1 42 GLU 2.97 -0.31 1 43 GLU 3.11 -1.26 1 44 ILE 6.56 -1.26 1 45 GLU 3.64 -0.75 1 46 LYS 4.10 -0.40 1 47 ALA 4.30 -1.40 1 48 ARG 4.74 -1.45 1 49 LYS 3.22 -0.45 1 50 GLN -0.14 0.41 1 52 ARG -3.23 2.21 1 54 ILE -5.26 2.93 1 55 VAL -2.28 0.37 1 56 VAL -3.14 1.48 1 57 PHE 0.22 0.29 1 58 VAL -3.13 1.81 1 59 ARG 0.93 -0.39 1 62 ASP -0.38 -1.29 1 63 ASP 2.67 0.47 1 64 GLU 3.64 -0.86 1 65 ARG 3.31 -0.26 1 66 ALA 3.71 -0.74 1 67 LYS 4.25 -0.88 1 68 ASP 3.00 0.29 1 69 ILE 5.07 -0.94 1 70 ALA 4.00 -0.96 1 71 GLU 3.15 -0.32 1 72 TYR 3.97 -0.56 1 73 ALA 3.27 -0.60 1 74 GLN 3.68 -0.20 1 75 LYS 4.37 -1.34 1 76 GLU -0.64 -0.10 1 78 LEU -0.51 -0.29 1 79 ARG -0.59 0.47 1 80 VAL -1.66 1.10 1 81 ILE -3.65 2.28 1 82 VAL -3.40 1.52 1 83 ILE -2.10 1.02 1 84 ILE -1.28 1.23 1 85 VAL -1.11 -1.03 1 86 SER -0.49 0.32 1 87 GLN 1.01 -0.28 1 88 ASP -1.22 0.10 1 89 GLU 3.21 -0.27 1 90 GLU 2.93 -0.72 1 91 ALA 3.42 -1.22 1 92 LEU 3.07 -0.22 1 93 ARG 4.10 -0.76 1 94 LYS 3.70 -0.67 1 96 TYR 3.75 -0.21 1 97 GLU 3.01 -0.36 1 98 ASP 2.02 0.89 1 99 LYS 2.53 -0.72 1 100 LYS 3.71 -1.73 1 101 LYS 3.13 -0.86 1 102 LYS 0.69 -1.10 1 104 TYR -2.39 -1.06 1 105 ASP -0.68 0.70 1 106 VAL -3.64 1.48 1 107 TYR -4.93 3.09 1 108 THR -3.40 1.11 1 109 SER -4.29 3.96 1 110 ARG -0.91 0.92 1 111 ASN -2.95 1.22 1 112 GLU 2.88 0.71 1 113 ASP 4.05 -0.15 1 114 GLU 1.88 0.76 1 115 ALA 1.95 0.76 1 116 LYS 5.01 -0.29 1 117 LYS 4.12 -0.72 1 118 LYS 3.32 -1.96 1 119 LEU 3.04 -0.23 1 120 LYS 5.43 -1.34 1 121 GLU 3.48 -0.54 1 122 ALA 3.13 -0.67 1 123 LEU 4.34 -1.55 1 124 GLU 3.22 -0.38 1 125 LYS 2.49 -0.74 1 126 SER 1.63 -0.32 1 128 SER 0.15 -0.46 1 129 LEU -0.13 -0.09 1 130 GLU -0.17 0.38 1 131 HIS -0.68 1.83 1 132 HIS 0.51 2.01 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25062_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.26 _LACS_plot.Line_1_terminator_val_y_1 0.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.31 _LACS_plot.Line_2_terminator_val_x_2 6.74 _LACS_plot.Line_2_terminator_val_y_2 -0.68 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 31 THR -4.88 1.34 0 11 ASP -3.37 0.21 1 12 GLU 2.43 -0.25 1 13 ARG 4.96 -0.20 1 14 ILE 5.52 -0.52 1 15 ALA 4.64 -0.60 1 16 GLU 2.36 -0.22 1 17 GLU 3.38 -0.30 1 18 LEU 4.24 -0.24 1 19 ARG 6.48 -0.53 1 20 LYS 4.21 -0.38 1 21 GLU 3.24 -0.30 1 22 VAL 6.37 -0.68 1 23 GLN 3.92 -0.39 1 24 LYS 2.39 -0.32 1 25 HIS 1.57 -0.48 1 26 ASP -2.00 -0.19 1 28 ASN 0.52 -0.07 1 29 VAL 1.87 -0.24 1 30 LYS -0.16 0.11 1 32 VAL -2.37 0.45 1 34 THR 4.30 -0.23 1 35 LYS 2.73 -0.07 1 36 ASP -0.77 0.37 1 37 LYS 3.36 -0.33 1 38 GLU 2.59 -0.10 1 39 LYS 0.79 0.19 1 40 VAL 6.66 -0.72 1 41 LYS 6.74 -0.68 1 42 GLU 2.97 -0.25 1 43 GLU 3.11 -0.06 1 44 ILE 6.56 -0.54 1 45 GLU 3.64 -0.21 1 46 LYS 4.10 -0.31 1 47 ALA 4.30 -0.19 1 48 ARG 4.74 -0.28 1 49 LYS 3.22 -0.26 1 50 GLN -0.14 0.04 1 52 ARG -3.23 0.25 1 54 ILE -5.26 0.79 1 55 VAL -2.28 0.76 1 56 VAL -3.14 0.32 1 57 PHE 0.22 0.31 1 58 VAL -3.13 0.08 1 59 ARG 0.93 0.24 1 62 ASP -0.38 0.38 1 63 ASP 2.67 -0.37 1 64 GLU 3.64 -0.30 1 65 ARG 3.31 -0.14 1 66 ALA 3.71 -0.45 1 67 LYS 4.25 -0.30 1 68 ASP 3.00 -0.23 1 69 ILE 5.07 -0.58 1 70 ALA 4.00 -0.59 1 71 GLU 3.15 -0.20 1 72 TYR 3.97 -0.35 1 73 ALA 3.27 -0.71 1 74 GLN 3.68 -0.03 1 75 LYS 4.37 -0.26 1 76 GLU -0.64 -0.26 1 78 LEU -0.51 0.07 1 79 ARG -0.59 0.06 1 80 VAL -1.66 0.64 1 81 ILE -3.65 0.71 1 82 VAL -3.40 0.87 1 83 ILE -2.10 0.73 1 84 ILE -1.28 0.28 1 85 VAL -1.11 0.86 1 86 SER -0.49 0.02 1 87 GLN 1.01 0.23 1 88 ASP -1.22 0.06 1 89 GLU 3.21 -0.42 1 90 GLU 2.93 -0.11 1 91 ALA 3.42 -0.19 1 92 LEU 3.07 -0.34 1 93 ARG 4.10 -0.24 1 94 LYS 3.70 -0.26 1 96 TYR 3.75 -0.50 1 97 GLU 3.01 -0.52 1 98 ASP 2.02 -0.30 1 99 LYS 2.53 -0.30 1 100 LYS 3.71 -0.25 1 101 LYS 3.13 -0.24 1 102 LYS 0.69 -0.23 1 104 TYR -2.39 0.39 1 105 ASP -0.68 0.14 1 106 VAL -3.64 1.14 1 107 TYR -4.93 0.46 1 108 THR -3.40 0.86 1 109 SER -4.29 0.43 1 110 ARG -0.91 0.67 1 111 ASN -2.95 -0.11 1 112 GLU 2.88 -0.54 1 113 ASP 4.05 -0.27 1 114 GLU 1.88 -0.30 1 115 ALA 1.95 -0.27 1 116 LYS 5.01 -0.66 1 117 LYS 4.12 -0.33 1 118 LYS 3.32 -0.38 1 119 LEU 3.04 -0.56 1 120 LYS 5.43 -0.78 1 121 GLU 3.48 -0.34 1 122 ALA 3.13 -0.36 1 123 LEU 4.34 -0.56 1 124 GLU 3.22 -0.21 1 125 LYS 2.49 -0.06 1 126 SER 1.63 -0.09 1 128 SER 0.15 0.12 1 129 LEU -0.13 0.10 1 130 GLU -0.17 -0.37 1 131 HIS -0.68 -0.14 1 132 HIS 0.51 -0.31 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25062_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.26 _LACS_plot.Line_1_terminator_val_y_1 -2.77 _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 -0.96 _LACS_plot.Line_2_terminator_val_x_2 6.74 _LACS_plot.Line_2_terminator_val_y_2 3.11 _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 132 HIS 0.51 5.42 0 11 ASP -3.37 -0.18 1 12 GLU 2.43 1.91 1 13 ARG 4.96 3.32 1 14 ILE 5.52 1.33 1 15 ALA 4.64 1.19 1 16 GLU 2.36 1.92 1 17 GLU 3.38 3.61 1 18 LEU 4.24 0.63 1 19 ARG 6.48 2.39 1 20 LYS 4.21 2.48 1 21 GLU 3.24 2.40 1 22 VAL 6.37 0.13 1 23 GLN 3.92 1.43 1 24 LYS 2.39 0.91 1 25 HIS 1.57 1.81 1 26 ASP -2.00 -1.14 1 28 ASN 0.52 0.43 1 29 VAL 1.87 -1.21 1 30 LYS -0.16 -1.51 1 31 THR -4.88 0.01 1 32 VAL -2.37 -1.51 1 34 THR 4.30 2.18 1 35 LYS 2.73 0.04 1 36 ASP -0.77 -0.10 1 37 LYS 3.36 1.35 1 38 GLU 2.59 1.45 1 39 LYS 0.79 0.53 1 40 VAL 6.66 0.63 1 41 LYS 6.74 1.76 1 42 GLU 2.97 2.95 1 43 GLU 3.11 3.48 1 44 ILE 6.56 0.43 1 45 GLU 3.64 2.33 1 46 LYS 4.10 2.18 1 47 ALA 4.30 2.29 1 48 ARG 4.74 3.66 1 49 LYS 3.22 1.69 1 50 GLN -0.14 0.44 1 52 ARG -3.23 -1.41 1 54 ILE -5.26 -4.30 1 55 VAL -2.28 -2.46 1 56 VAL -3.14 -2.33 1 57 PHE 0.22 -0.81 1 58 VAL -3.13 -1.51 1 59 ARG 0.93 1.45 1 62 ASP -0.38 -0.05 1 63 ASP 2.67 2.12 1 64 GLU 3.64 1.72 1 65 ARG 3.31 2.01 1 66 ALA 3.71 0.84 1 67 LYS 4.25 1.76 1 68 ASP 3.00 2.94 1 69 ILE 5.07 0.53 1 70 ALA 4.00 0.97 1 71 GLU 3.15 2.62 1 72 TYR 3.97 0.80 1 73 ALA 3.27 0.99 1 74 GLN 3.68 4.67 1 75 LYS 4.37 1.95 1 76 GLU -0.64 -0.53 1 78 LEU -0.51 -1.46 1 79 ARG -0.59 -1.70 1 80 VAL -1.66 -0.93 1 81 ILE -3.65 -2.50 1 82 VAL -3.40 -2.14 1 83 ILE -2.10 -2.36 1 84 ILE -1.28 -1.61 1 85 VAL -1.11 0.24 1 86 SER -0.49 -2.15 1 87 GLN 1.01 -0.27 1 88 ASP -1.22 -0.55 1 89 GLU 3.21 2.22 1 90 GLU 2.93 1.78 1 91 ALA 3.42 4.10 1 92 LEU 3.07 0.35 1 93 ARG 4.10 2.48 1 94 LYS 3.70 2.67 1 96 TYR 3.75 0.53 1 97 GLU 3.01 2.18 1 98 ASP 2.02 1.68 1 99 LYS 2.53 1.46 1 100 LYS 3.71 3.89 1 101 LYS 3.13 1.07 1 102 LYS 0.69 -0.24 1 104 TYR -2.39 -0.68 1 105 ASP -0.68 -1.48 1 106 VAL -3.64 -2.46 1 107 TYR -4.93 -1.14 1 108 THR -3.40 -0.35 1 109 SER -4.29 -2.20 1 110 ARG -0.91 -0.30 1 111 ASN -2.95 -0.74 1 112 GLU 2.88 -0.16 1 113 ASP 4.05 2.74 1 114 GLU 1.88 2.17 1 115 ALA 1.95 1.16 1 116 LYS 5.01 1.98 1 117 LYS 4.12 2.78 1 118 LYS 3.32 1.49 1 119 LEU 3.04 -0.03 1 120 LYS 5.43 2.02 1 121 GLU 3.48 2.14 1 122 ALA 3.13 2.17 1 123 LEU 4.34 2.10 1 124 GLU 3.22 3.13 1 125 LYS 2.49 1.26 1 126 SER 1.63 -0.14 1 128 SER 0.15 -0.19 1 129 LEU -0.13 -0.52 1 130 GLU -0.17 -0.16 1 131 HIS -0.68 0.08 1 stop_ save_