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 bmr36176_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -2.35 _LACS_plot.Line_1_terminator_val_y_1 -1.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.58 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.21 _LACS_plot.Line_2_terminator_val_x_2 9.33 _LACS_plot.Line_2_terminator_val_y_2 7.09 _LACS_plot.Y_axis_chem_shift_offset -0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 71 LYS 1.51 -1.96 0 10 ASP 0.38 0.71 1 11 LYS -1.64 -0.31 1 12 ASP -2.35 -1.67 1 13 TYR 3.16 2.64 1 15 GLN 3.74 2.34 1 16 ILE 4.03 3.00 1 17 LEU 6.23 3.70 1 18 LYS 3.51 2.81 1 19 GLU 0.68 1.23 1 20 GLU 0.68 1.45 1 21 PHE 9.33 4.51 1 23 LYS 3.83 3.00 1 24 ILE 5.20 4.55 1 25 ASP 4.53 3.52 1 26 SER 4.38 3.34 1 27 LEU 2.30 2.49 1 28 ALA 2.19 1.75 1 29 GLN 3.15 2.33 1 30 ASN -1.56 0.70 1 31 ASP -0.17 -0.72 1 33 ASN 4.92 3.76 1 34 SER 4.76 3.34 1 35 ALA 3.77 3.11 1 36 LEU 4.74 3.12 1 37 ASP 4.32 3.70 1 38 GLN 4.68 3.41 1 39 LEU 3.88 3.20 1 40 LEU 4.35 2.53 1 41 VAL 5.89 4.82 1 42 LEU 2.78 2.66 1 43 GLU 5.85 4.68 1 44 LYS 4.59 3.66 1 45 LYS 4.57 3.62 1 46 THR 5.19 3.98 1 47 ARG 4.58 3.65 1 48 GLN 4.54 3.40 1 49 ALA -1.55 -0.54 1 50 SER 2.61 0.81 1 51 ASP -0.91 -2.43 1 52 LEU 3.52 3.31 1 53 ALA 4.07 3.18 1 54 SER 4.55 2.96 1 56 LYS 5.46 4.94 1 57 GLU 2.41 2.58 1 58 VAL 6.89 5.51 1 59 LEU 6.63 3.91 1 60 ALA 3.32 3.19 1 61 LYS 3.76 1.92 1 62 ILE 6.83 5.62 1 63 VAL 6.60 4.80 1 64 ASP 2.92 3.66 1 65 LEU 2.75 2.93 1 66 LEU 1.78 1.57 1 67 ALA 4.33 2.66 1 68 SER 4.34 3.27 1 69 ARG -0.56 -0.91 1 70 ASN 3.12 1.66 1 72 TRP 3.01 2.72 1 73 ASP 4.88 3.53 1 74 ASP 3.37 3.05 1 75 LEU 4.61 3.12 1 76 ASN 4.16 3.03 1 77 GLU 3.60 3.01 1 78 GLN 4.86 2.45 1 79 LEU 4.11 3.98 1 80 THR 6.57 5.29 1 81 LEU 2.82 3.03 1 82 LEU 4.19 2.63 1 83 SER 4.34 3.47 1 84 LYS -0.83 -0.31 1 85 LYS -1.96 -1.22 1 86 HIS 2.85 2.55 1 88 GLN -1.10 -0.14 1 89 LEU 0.40 -0.84 1 90 LYS 5.10 4.12 1 91 LEU 3.01 2.55 1 92 SER 4.48 3.32 1 93 ILE 3.83 0.63 1 94 GLN 4.99 4.20 1 95 TYR 3.17 3.32 1 96 MET 5.95 5.34 1 97 ILE 5.90 4.85 1 98 GLN 5.33 3.92 1 99 LYS 4.03 1.24 1 100 VAL 7.23 5.80 1 101 MET 4.80 2.76 1 102 GLU 3.58 3.09 1 103 TYR 4.72 4.62 1 104 LEU 3.39 3.24 1 105 LYS 2.85 2.42 1 106 SER 0.32 0.78 1 107 SER 0.70 0.28 1 108 LYS 1.12 0.77 1 109 SER -0.31 -0.28 1 110 LEU -0.62 0.20 1 111 ASP -1.49 -0.57 1 112 LEU 3.82 3.42 1 113 ASN 4.75 3.50 1 114 THR 7.26 4.86 1 115 ARG 5.48 4.97 1 116 ILE 4.97 3.88 1 117 SER 4.53 3.51 1 118 VAL 3.77 2.96 1 119 ILE 5.71 4.05 1 120 GLU 3.29 2.44 1 121 THR 7.45 5.90 1 122 ILE 6.14 5.36 1 123 ARG 5.55 4.38 1 124 VAL 5.28 4.30 1 125 VAL 4.77 3.73 1 126 THR 1.53 1.56 1 127 GLU 2.07 0.94 1 128 ASN 1.18 1.12 1 129 LYS 1.13 1.05 1 130 ILE 0.47 0.31 1 131 PHE 0.10 0.05 1 132 VAL -0.34 -0.07 1 133 GLU -0.92 -0.25 1 134 VAL -0.17 -0.08 1 135 GLU -0.38 0.14 1 136 ARG 0.66 1.42 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36176_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -2.35 _LACS_plot.Line_1_terminator_val_y_1 1.09 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.42 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.79 _LACS_plot.Line_2_terminator_val_x_2 9.33 _LACS_plot.Line_2_terminator_val_y_2 -2.24 _LACS_plot.Y_axis_chem_shift_offset -0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 71 LYS 1.51 -3.47 0 10 ASP 0.38 0.33 1 11 LYS -1.64 1.33 1 12 ASP -2.35 0.68 1 13 TYR 3.16 -0.52 1 15 GLN 3.74 -1.40 1 16 ILE 4.03 -1.03 1 17 LEU 6.23 -2.53 1 18 LYS 3.51 -0.70 1 19 GLU 0.68 0.55 1 20 GLU 0.68 0.77 1 21 PHE 9.33 -4.82 1 23 LYS 3.83 -0.83 1 24 ILE 5.20 -0.65 1 25 ASP 4.53 -1.01 1 26 SER 4.38 -1.04 1 27 LEU 2.30 0.19 1 28 ALA 2.19 -0.44 1 29 GLN 3.15 -0.82 1 30 ASN -1.56 2.26 1 31 ASP -0.17 -0.55 1 33 ASN 4.92 -1.16 1 34 SER 4.76 -1.42 1 35 ALA 3.77 -0.66 1 36 LEU 4.74 -1.62 1 37 ASP 4.32 -0.62 1 38 GLN 4.68 -1.27 1 39 LEU 3.88 -0.68 1 40 LEU 4.35 -1.82 1 41 VAL 5.89 -1.07 1 42 LEU 2.78 -0.12 1 43 GLU 5.85 -1.17 1 44 LYS 4.59 -0.93 1 45 LYS 4.57 -0.95 1 46 THR 5.19 -1.21 1 47 ARG 4.58 -0.93 1 48 GLN 4.54 -1.14 1 49 ALA -1.55 1.01 1 50 SER 2.61 -1.80 1 51 ASP -0.91 -1.52 1 52 LEU 3.52 -0.21 1 53 ALA 4.07 -0.89 1 54 SER 4.55 -1.59 1 56 LYS 5.46 -0.52 1 57 GLU 2.41 0.17 1 58 VAL 6.89 -1.38 1 59 LEU 6.63 -2.72 1 60 ALA 3.32 -0.13 1 61 LYS 3.76 -1.84 1 62 ILE 6.83 -1.21 1 63 VAL 6.60 -1.80 1 64 ASP 2.92 0.74 1 65 LEU 2.75 0.18 1 66 LEU 1.78 -0.21 1 67 ALA 4.33 -1.67 1 68 SER 4.34 -1.07 1 69 ARG -0.56 -0.35 1 70 ASN 3.12 -1.46 1 72 TRP 3.01 -0.29 1 73 ASP 4.88 -1.35 1 74 ASP 3.37 -0.32 1 75 LEU 4.61 -1.49 1 76 ASN 4.16 -1.13 1 77 GLU 3.60 -0.59 1 78 GLN 4.86 -2.41 1 79 LEU 4.11 -0.13 1 80 THR 6.57 -1.28 1 81 LEU 2.82 0.21 1 82 LEU 4.19 -1.56 1 83 SER 4.34 -0.87 1 84 LYS -0.83 0.52 1 85 LYS -1.96 0.74 1 86 HIS 2.85 -0.30 1 88 GLN -1.10 0.96 1 89 LEU 0.40 -1.24 1 90 LYS 5.10 -0.98 1 91 LEU 3.01 -0.46 1 92 SER 4.48 -1.16 1 93 ILE 3.83 -3.20 1 94 GLN 4.99 -0.79 1 95 TYR 3.17 0.15 1 96 MET 5.95 -0.61 1 97 ILE 5.90 -1.05 1 98 GLN 5.33 -1.41 1 99 LYS 4.03 -2.79 1 100 VAL 7.23 -1.43 1 101 MET 4.80 -2.04 1 102 GLU 3.58 -0.49 1 103 TYR 4.72 -0.10 1 104 LEU 3.39 -0.15 1 105 LYS 2.85 -0.43 1 106 SER 0.32 0.46 1 107 SER 0.70 -0.42 1 108 LYS 1.12 -0.35 1 109 SER -0.31 0.03 1 110 LEU -0.62 0.82 1 111 ASP -1.49 0.92 1 112 LEU 3.82 -0.40 1 113 ASN 4.75 -1.25 1 114 THR 7.26 -2.40 1 115 ARG 5.48 -0.51 1 116 ILE 4.97 -1.09 1 117 SER 4.53 -1.02 1 118 VAL 3.77 -0.81 1 119 ILE 5.71 -1.66 1 120 GLU 3.29 -0.85 1 121 THR 7.45 -1.55 1 122 ILE 6.14 -0.78 1 123 ARG 5.55 -1.17 1 124 VAL 5.28 -0.98 1 125 VAL 4.77 -1.04 1 126 THR 1.53 0.03 1 127 GLU 2.07 -1.13 1 128 ASN 1.18 -0.06 1 129 LYS 1.13 -0.08 1 130 ILE 0.47 -0.16 1 131 PHE 0.10 -0.05 1 132 VAL -0.34 0.27 1 133 GLU -0.92 0.67 1 134 VAL -0.17 0.09 1 135 GLU -0.38 0.52 1 136 ARG 0.66 0.76 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36176_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -2.35 _LACS_plot.Line_1_terminator_val_y_1 0.10 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.07 _LACS_plot.Line_2_terminator_val_x_2 9.33 _LACS_plot.Line_2_terminator_val_y_2 -0.80 _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 67 ALA 4.33 -1.88 0 10 ASP 0.38 -0.13 1 11 LYS -1.64 -0.12 1 12 ASP -2.35 0.06 1 13 TYR 3.16 -0.35 1 15 GLN 3.74 -0.32 1 16 ILE 4.03 -0.37 1 17 LEU 6.23 -1.06 1 18 LYS 3.51 -0.42 1 19 GLU 0.68 -0.15 1 20 GLU 0.68 -0.01 1 21 PHE 9.33 -0.21 1 23 LYS 3.83 -0.21 1 24 ILE 5.20 -0.64 1 25 ASP 4.53 -0.41 1 26 SER 4.38 -0.26 1 27 LEU 2.30 -0.18 1 28 ALA 2.19 -0.75 1 29 GLN 3.15 -0.39 1 30 ASN -1.56 0.18 1 31 ASP -0.17 0.07 1 33 ASN 4.92 -0.43 1 34 SER 4.76 -0.19 1 35 ALA 3.77 -0.40 1 36 LEU 4.74 -0.49 1 37 ASP 4.32 -0.35 1 38 GLN 4.68 -0.31 1 39 LEU 3.88 -0.27 1 40 LEU 4.35 -0.17 1 41 VAL 5.89 -0.38 1 42 LEU 2.78 -0.46 1 43 GLU 5.85 -0.79 1 44 LYS 4.59 -0.49 1 45 LYS 4.57 -0.38 1 46 THR 5.19 -0.72 1 47 ARG 4.58 -0.33 1 48 GLN 4.54 -0.29 1 49 ALA -1.55 0.22 1 50 SER 2.61 -0.63 1 51 ASP -0.91 0.16 1 52 LEU 3.52 -0.44 1 53 ALA 4.07 -0.44 1 54 SER 4.55 -0.24 1 56 LYS 5.46 -0.47 1 57 GLU 2.41 -0.09 1 58 VAL 6.89 -0.46 1 59 LEU 6.63 -0.41 1 60 ALA 3.32 -0.51 1 61 LYS 3.76 -0.30 1 62 ILE 6.83 -0.88 1 63 VAL 6.60 -0.95 1 64 ASP 2.92 -0.69 1 65 LEU 2.75 -0.71 1 66 LEU 1.78 -0.46 1 68 SER 4.34 -0.36 1 69 ARG -0.56 0.02 1 70 ASN 3.12 -0.93 1 71 LYS 1.51 0.31 1 72 TRP 3.01 -0.76 1 73 ASP 4.88 -0.13 1 74 ASP 3.37 -0.29 1 75 LEU 4.61 -0.56 1 76 ASN 4.16 -0.21 1 77 GLU 3.60 -0.31 1 78 GLN 4.86 -0.34 1 79 LEU 4.11 -0.45 1 80 THR 6.57 -0.74 1 81 LEU 2.82 -0.43 1 82 LEU 4.19 -0.31 1 83 SER 4.34 -0.46 1 84 LYS -0.83 0.11 1 85 LYS -1.96 -0.14 1 86 HIS 2.85 -0.35 1 88 GLN -1.10 -0.41 1 89 LEU 0.40 0.12 1 90 LYS 5.10 -0.60 1 91 LEU 3.01 -0.25 1 92 SER 4.48 -0.27 1 93 ILE 3.83 -0.48 1 94 GLN 4.99 -0.50 1 95 TYR 3.17 -0.19 1 96 MET 5.95 -1.00 1 97 ILE 5.90 -0.80 1 98 GLN 5.33 -0.41 1 99 LYS 4.03 -0.28 1 100 VAL 7.23 -0.62 1 101 MET 4.80 -0.32 1 102 GLU 3.58 -0.41 1 103 TYR 4.72 -0.34 1 104 LEU 3.39 -0.44 1 105 LYS 2.85 -0.27 1 106 SER 0.32 -0.06 1 107 SER 0.70 0.07 1 108 LYS 1.12 0.03 1 109 SER -0.31 0.02 1 110 LEU -0.62 -0.14 1 111 ASP -1.49 -0.15 1 112 LEU 3.82 -0.40 1 113 ASN 4.75 -0.43 1 114 THR 7.26 -0.56 1 115 ARG 5.48 -0.98 1 116 ILE 4.97 -0.60 1 117 SER 4.53 -0.22 1 118 VAL 3.77 0.28 1 119 ILE 5.71 -0.67 1 120 GLU 3.29 -0.17 1 121 THR 7.45 -0.51 1 122 ILE 6.14 -0.82 1 123 ARG 5.55 -0.51 1 124 VAL 5.28 -0.47 1 125 VAL 4.77 -0.30 1 126 THR 1.53 -0.30 1 127 GLU 2.07 -0.27 1 128 ASN 1.18 -0.27 1 129 LYS 1.13 -0.07 1 130 ILE 0.47 -0.09 1 131 PHE 0.10 -0.05 1 132 VAL -0.34 -0.10 1 133 GLU -0.92 -0.09 1 134 VAL -0.17 -0.06 1 135 GLU -0.38 -0.10 1 136 ARG 0.66 -0.21 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36176_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -2.35 _LACS_plot.Line_1_terminator_val_y_1 -1.22 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.90 _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 7.45 _LACS_plot.Line_2_terminator_val_y_2 2.98 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 85 LYS -1.96 1.10 0 11 LYS -1.64 -2.51 0 12 ASP -2.35 0.94 0 10 ASP 0.38 -0.27 1 13 TYR 3.16 0.60 1 15 GLN 3.74 2.36 1 16 ILE 4.03 2.25 1 17 LEU 6.23 0.73 1 18 LYS 3.51 1.97 1 19 GLU 0.68 2.23 1 20 GLU 0.68 2.75 1 23 LYS 3.83 3.27 1 24 ILE 5.20 1.00 1 25 ASP 4.53 2.87 1 26 SER 4.38 2.99 1 27 LEU 2.30 1.12 1 28 ALA 2.19 -0.47 1 29 GLN 3.15 0.72 1 30 ASN -1.56 -0.28 1 31 ASP -0.17 -1.91 1 33 ASN 4.92 2.47 1 34 SER 4.76 2.13 1 35 ALA 3.77 0.60 1 36 LEU 4.74 0.47 1 37 ASP 4.32 3.08 1 38 GLN 4.68 4.11 1 39 LEU 3.88 1.28 1 40 LEU 4.35 3.72 1 41 VAL 5.89 2.44 1 42 LEU 2.78 1.65 1 43 GLU 5.85 0.46 1 44 LYS 4.59 1.88 1 45 LYS 4.57 3.50 1 46 THR 5.19 1.74 1 47 ARG 4.58 4.36 1 48 GLN 4.54 1.54 1 49 ALA -1.55 -1.65 1 50 SER 2.61 -1.06 1 51 ASP -0.91 -1.08 1 52 LEU 3.52 -0.19 1 53 ALA 4.07 3.34 1 56 LYS 5.46 1.84 1 57 GLU 2.41 3.87 1 58 VAL 6.89 1.37 1 59 LEU 6.63 2.53 1 60 ALA 3.32 1.36 1 61 LYS 3.76 2.25 1 62 ILE 6.83 0.47 1 63 VAL 6.60 0.55 1 64 ASP 2.92 2.18 1 65 LEU 2.75 0.28 1 66 LEU 1.78 1.47 1 67 ALA 4.33 3.83 1 68 SER 4.34 0.50 1 69 ARG -0.56 -1.64 1 70 ASN 3.12 -0.13 1 71 LYS 1.51 0.59 1 72 TRP 3.01 1.75 1 73 ASP 4.88 3.22 1 74 ASP 3.37 1.88 1 75 LEU 4.61 -0.10 1 76 ASN 4.16 3.52 1 77 GLU 3.60 2.09 1 78 GLN 4.86 2.44 1 79 LEU 4.11 1.13 1 80 THR 6.57 2.22 1 81 LEU 2.82 4.14 1 82 LEU 4.19 3.48 1 83 SER 4.34 -0.26 1 84 LYS -0.83 0.06 1 86 HIS 2.85 2.88 1 88 GLN -1.10 -0.95 1 89 LEU 0.40 0.01 1 90 LYS 5.10 2.41 1 91 LEU 3.01 2.40 1 92 SER 4.48 1.81 1 93 ILE 3.83 1.59 1 94 GLN 4.99 2.10 1 95 TYR 3.17 0.91 1 96 MET 5.95 1.73 1 97 ILE 5.90 0.95 1 98 GLN 5.33 3.34 1 99 LYS 4.03 2.63 1 100 VAL 7.23 1.90 1 101 MET 4.80 2.68 1 102 GLU 3.58 3.35 1 103 TYR 4.72 3.65 1 104 LEU 3.39 1.84 1 105 LYS 2.85 1.41 1 106 SER 0.32 0.37 1 107 SER 0.70 1.19 1 108 LYS 1.12 0.71 1 109 SER -0.31 -0.60 1 110 LEU -0.62 -1.09 1 111 ASP -1.49 -0.32 1 112 LEU 3.82 0.63 1 113 ASN 4.75 3.53 1 114 THR 7.26 1.69 1 115 ARG 5.48 1.31 1 116 ILE 4.97 1.51 1 117 SER 4.53 2.38 1 118 VAL 3.77 1.83 1 119 ILE 5.71 2.53 1 120 GLU 3.29 2.18 1 121 THR 7.45 1.56 1 122 ILE 6.14 2.16 1 123 ARG 5.55 1.97 1 124 VAL 5.28 3.65 1 125 VAL 4.77 1.63 1 126 THR 1.53 0.70 1 127 GLU 2.07 -0.22 1 128 ASN 1.18 0.29 1 129 LYS 1.13 0.07 1 130 ILE 0.47 -0.99 1 131 PHE 0.10 -0.54 1 132 VAL -0.34 -1.04 1 133 GLU -0.92 -0.52 1 134 VAL -0.17 -0.57 1 135 GLU -0.38 -1.34 1 stop_ save_