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 bmr19819_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -2.65 _LACS_plot.Line_1_terminator_val_y_1 -1.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.61 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.19 _LACS_plot.Line_2_terminator_val_x_2 8.67 _LACS_plot.Line_2_terminator_val_y_2 6.66 _LACS_plot.Y_axis_chem_shift_offset -0.35 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 73 ASP 1.43 3.92 0 19 SER -2.11 -3.06 0 124 ASP 1.34 -1.29 0 10 ARG 5.37 5.19 1 11 GLN 4.31 3.40 1 12 SER 2.11 2.52 1 13 TRP -0.71 1.19 1 14 ARG 4.44 3.64 1 15 VAL 4.86 3.98 1 16 VAL 3.86 2.45 1 17 SER 3.30 2.22 1 18 ARG 2.41 2.30 1 22 GLU 4.39 3.57 1 23 HIS 4.72 5.78 1 25 THR 6.58 6.10 1 26 VAL 5.92 4.72 1 27 LEU 4.99 5.69 1 28 PHE 6.10 6.89 1 29 ALA 4.26 3.35 1 30 ARG 2.32 1.14 1 31 LEU 3.52 4.07 1 32 PHE 1.24 0.03 1 33 ALA 2.31 1.89 1 34 LEU 0.73 1.81 1 35 GLU -2.02 -0.07 1 37 SER 3.48 2.04 1 38 LEU 1.35 0.81 1 39 LEU 8.68 6.88 1 41 LEU 2.44 1.53 1 42 PHE 0.68 0.12 1 43 GLN -2.34 -1.18 1 44 TYR -1.99 -0.55 1 45 ASN 2.11 1.04 1 47 ARG -2.29 -0.75 1 48 GLN -2.65 -1.29 1 49 PHE -0.39 -0.17 1 50 SER 1.28 1.57 1 51 SER -0.99 -0.07 1 53 GLU 5.54 4.18 1 54 ASP 2.05 2.73 1 55 SER 5.11 3.81 1 56 LEU 2.93 1.68 1 57 SER -1.48 -0.71 1 58 SER -2.19 -1.08 1 60 GLU 5.24 3.80 1 61 PHE 3.40 3.47 1 62 LEU 5.37 3.65 1 63 ASP 3.41 3.20 1 64 HIS 5.53 5.91 1 65 ILE 7.08 5.96 1 66 ARG 5.11 4.22 1 67 LYS 5.08 3.39 1 68 VAL 6.43 5.32 1 69 MET 4.34 1.68 1 70 LEU 3.14 2.55 1 71 VAL 6.90 4.28 1 72 ILE 7.23 4.27 1 74 ALA 4.46 2.69 1 75 ALA 5.40 2.74 1 76 VAL 6.45 4.62 1 77 THR 5.61 4.75 1 78 ASN 0.30 0.66 1 79 VAL 5.10 3.26 1 80 GLU 1.88 1.54 1 81 ASP 0.84 -0.04 1 82 LEU 1.86 1.54 1 83 SER 5.50 4.05 1 84 SER 3.25 2.54 1 85 LEU -2.44 -1.00 1 86 GLU 4.76 5.15 1 87 GLU 4.64 3.79 1 88 TYR 4.09 3.60 1 89 LEU 3.70 3.18 1 90 THR 7.70 6.60 1 91 SER 5.50 4.54 1 92 LEU 2.75 3.82 1 94 ARG 5.88 5.36 1 95 LYS 4.20 4.68 1 96 HIS 5.84 4.15 1 97 ARG 3.15 2.92 1 98 ALA 0.92 -0.29 1 99 VAL 2.62 0.86 1 101 VAL -1.93 -1.73 1 102 ARG 2.64 2.10 1 103 LEU 3.90 2.10 1 104 SER 4.19 2.49 1 105 SER 6.91 4.98 1 106 PHE 5.50 4.08 1 107 SER 5.59 3.48 1 108 THR 7.19 5.16 1 109 VAL 3.29 2.73 1 111 GLU 5.50 4.72 1 112 SER 4.29 3.69 1 113 LEU 4.96 3.41 1 114 LEU 3.91 3.88 1 115 TYR 4.98 4.00 1 116 MET 3.06 2.79 1 117 LEU 3.90 3.32 1 118 GLU 3.05 1.41 1 119 LYS 2.46 2.22 1 120 SER -1.30 0.61 1 121 LEU 2.01 1.40 1 125 PHE 1.42 0.43 1 126 THR 3.21 2.72 1 128 ALA 8.00 6.20 1 129 THR 5.36 4.20 1 130 ARG 6.08 5.12 1 131 THR 4.32 3.37 1 132 ALA 4.90 4.74 1 133 TRP 5.50 4.48 1 134 SER 4.86 3.72 1 135 ARG 4.14 3.30 1 136 LEU 5.77 5.68 1 137 TYR 3.75 2.83 1 139 ALA 6.27 4.50 1 140 VAL 4.90 3.79 1 142 GLN 2.71 2.97 1 143 ALA 2.96 4.51 1 144 MET 4.24 3.37 1 145 SER 3.63 2.96 1 146 ARG 1.44 2.63 1 148 TRP 0.40 0.90 1 149 ASP 0.49 1.95 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19819_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -2.65 _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 -0.39 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.81 _LACS_plot.Line_2_terminator_val_x_2 8.67 _LACS_plot.Line_2_terminator_val_y_2 -2.01 _LACS_plot.Y_axis_chem_shift_offset -0.35 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 73 ASP 1.43 2.49 0 19 SER -2.11 -0.95 0 124 ASP 1.34 -2.63 0 10 ARG 5.37 -0.18 1 11 GLN 4.31 -0.91 1 12 SER 2.11 0.41 1 13 TRP -0.71 1.90 1 14 ARG 4.44 -0.80 1 15 VAL 4.86 -0.88 1 16 VAL 3.86 -1.41 1 17 SER 3.30 -1.08 1 18 ARG 2.41 -0.11 1 22 GLU 4.39 -0.82 1 23 HIS 4.72 1.06 1 25 THR 6.58 -0.48 1 26 VAL 5.92 -1.20 1 27 LEU 4.99 0.70 1 28 PHE 6.10 0.79 1 29 ALA 4.26 -0.91 1 30 ARG 2.32 -1.18 1 31 LEU 3.52 0.55 1 32 PHE 1.24 -1.21 1 33 ALA 2.31 -0.42 1 34 LEU 0.73 1.08 1 35 GLU -2.02 1.95 1 37 SER 3.48 -1.44 1 38 LEU 1.35 -0.54 1 39 LEU 8.68 -1.80 1 41 LEU 2.44 -0.91 1 42 PHE 0.68 -0.56 1 43 GLN -2.34 1.16 1 44 TYR -1.99 1.44 1 45 ASN 2.11 -1.07 1 47 ARG -2.29 1.54 1 48 GLN -2.65 1.36 1 49 PHE -0.39 0.22 1 50 SER 1.28 0.29 1 51 SER -0.99 0.92 1 53 GLU 5.54 -1.36 1 54 ASP 2.05 0.68 1 55 SER 5.11 -1.30 1 56 LEU 2.93 -1.25 1 57 SER -1.48 0.77 1 58 SER -2.19 1.11 1 60 GLU 5.24 -1.44 1 61 PHE 3.40 0.07 1 62 LEU 5.37 -1.72 1 63 ASP 3.41 -0.21 1 64 HIS 5.53 0.38 1 65 ILE 7.08 -1.12 1 66 ARG 5.11 -0.89 1 67 LYS 5.08 -1.69 1 68 VAL 6.43 -1.11 1 69 MET 4.34 -2.66 1 70 LEU 3.14 -0.59 1 71 VAL 6.90 -2.62 1 72 ILE 7.23 -2.96 1 74 ALA 4.46 -1.77 1 75 ALA 5.40 -2.66 1 76 VAL 6.45 -1.83 1 77 THR 5.61 -0.86 1 78 ASN 0.30 0.36 1 79 VAL 5.10 -1.84 1 80 GLU 1.88 -0.34 1 81 ASP 0.84 -0.88 1 82 LEU 1.86 -0.32 1 83 SER 5.50 -1.45 1 84 SER 3.25 -0.71 1 85 LEU -2.44 1.44 1 86 GLU 4.76 0.39 1 87 GLU 4.64 -0.85 1 88 TYR 4.09 -0.49 1 89 LEU 3.70 -0.52 1 90 THR 7.70 -1.10 1 91 SER 5.50 -0.96 1 92 LEU 2.75 1.07 1 94 ARG 5.88 -0.52 1 95 LYS 4.20 0.48 1 96 HIS 5.84 -1.69 1 97 ARG 3.15 -0.23 1 98 ALA 0.92 -1.21 1 99 VAL 2.62 -1.76 1 101 VAL -1.93 0.20 1 102 ARG 2.64 -0.54 1 103 LEU 3.90 -1.80 1 104 SER 4.19 -1.70 1 105 SER 6.91 -1.93 1 106 PHE 5.50 -1.42 1 107 SER 5.59 -2.11 1 108 THR 7.19 -2.03 1 109 VAL 3.29 -0.56 1 111 GLU 5.50 -0.78 1 112 SER 4.29 -0.60 1 113 LEU 4.96 -1.55 1 114 LEU 3.91 -0.03 1 115 TYR 4.98 -0.98 1 116 MET 3.06 -0.27 1 117 LEU 3.90 -0.58 1 118 GLU 3.05 -1.64 1 119 LYS 2.46 -0.24 1 120 SER -1.30 1.91 1 121 LEU 2.01 -0.61 1 125 PHE 1.42 -0.99 1 126 THR 3.21 -0.49 1 128 ALA 8.00 -1.80 1 129 THR 5.36 -1.16 1 130 ARG 6.08 -0.96 1 131 THR 4.32 -0.95 1 132 ALA 4.90 -0.16 1 133 TRP 5.50 -1.02 1 134 SER 4.86 -1.14 1 135 ARG 4.14 -0.84 1 136 LEU 5.77 -0.09 1 137 TYR 3.75 -0.92 1 139 ALA 6.27 -1.77 1 140 VAL 4.90 -1.11 1 142 GLN 2.71 0.26 1 143 ALA 2.96 1.55 1 144 MET 4.24 -0.87 1 145 SER 3.63 -0.67 1 146 ARG 1.44 1.19 1 148 TRP 0.40 0.50 1 149 ASP 0.49 1.46 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19819_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -2.65 _LACS_plot.Line_1_terminator_val_y_1 0.21 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 0.14 _LACS_plot.Line_2_terminator_val_x_2 8.67 _LACS_plot.Line_2_terminator_val_y_2 -0.62 _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 68 VAL 6.43 -2.76 0 10 ARG 5.37 -0.48 1 11 GLN 4.31 -0.20 1 12 SER 2.11 0.05 1 13 TRP -0.71 0.17 1 14 ARG 4.44 -0.46 1 15 VAL 4.86 -0.55 1 16 VAL 3.86 -1.41 1 17 SER 3.30 -1.08 1 18 ARG 2.41 -0.15 1 19 SER -2.11 0.38 1 22 GLU 4.39 -0.26 1 23 HIS 4.72 -0.15 1 25 THR 6.58 0.23 1 26 VAL 5.92 -0.13 1 27 LEU 4.99 -0.16 1 28 PHE 6.10 0.10 1 29 ALA 4.26 0.14 1 30 ARG 2.32 -0.26 1 31 LEU 3.52 -0.43 1 32 PHE 1.24 0.13 1 33 ALA 2.31 0.02 1 34 LEU 0.73 -0.22 1 35 GLU -2.02 -0.35 1 37 SER 3.48 -0.33 1 38 LEU 1.35 -0.18 1 39 LEU 8.68 -0.52 1 41 LEU 2.44 -0.69 1 42 PHE 0.68 -0.47 1 43 GLN -2.34 0.07 1 44 TYR -1.99 -0.01 1 45 ASN 2.11 -0.40 1 47 ARG -2.29 0.31 1 48 GLN -2.65 -0.04 1 49 PHE -0.39 0.20 1 50 SER 1.28 -0.06 1 51 SER -0.99 0.09 1 53 GLU 5.54 -0.38 1 54 ASP 2.05 -0.22 1 55 SER 5.11 -1.79 1 56 LEU 2.93 0.01 1 57 SER -1.48 0.25 1 58 SER -2.19 0.26 1 60 GLU 5.24 -0.44 1 61 PHE 3.40 -0.05 1 62 LEU 5.37 -0.19 1 63 ASP 3.41 -0.31 1 64 HIS 5.53 -1.31 1 65 ILE 7.08 -0.25 1 66 ARG 5.11 -0.67 1 67 LYS 5.08 -1.06 1 69 MET 4.34 0.10 1 70 LEU 3.14 -0.21 1 71 VAL 6.90 -0.75 1 72 ILE 7.23 0.18 1 73 ASP 1.43 -0.64 1 74 ALA 4.46 -0.35 1 75 ALA 5.40 -0.70 1 76 VAL 6.45 -1.21 1 77 THR 5.61 -0.56 1 78 ASN 0.30 0.06 1 79 VAL 5.10 -0.52 1 80 GLU 1.88 -0.23 1 81 ASP 0.84 0.02 1 82 LEU 1.86 -0.30 1 83 SER 5.50 -0.27 1 84 SER 3.25 -0.16 1 85 LEU -2.44 0.29 1 86 GLU 4.76 -0.47 1 87 GLU 4.64 -0.15 1 88 TYR 4.09 -0.17 1 89 LEU 3.70 -0.20 1 90 THR 7.70 0.19 1 91 SER 5.50 0.14 1 92 LEU 2.75 1.32 1 94 ARG 5.88 0.36 1 95 LYS 4.20 0.88 1 97 ARG 5.84 0.35 1 98 ALA 3.15 0.13 1 99 VAL 0.92 0.41 1 101 VAL 2.62 -1.35 1 102 ARG -1.93 0.07 1 103 LEU 2.64 -1.13 1 104 SER 3.90 -0.57 1 105 SER 4.19 -0.21 1 106 PHE 6.91 -1.33 1 107 SER 5.50 -0.60 1 108 THR 5.59 -0.58 1 109 VAL 7.19 -0.77 1 111 GLU 3.29 -0.44 1 112 SER 5.50 -0.34 1 113 LEU 4.29 0.07 1 114 LEU 4.96 -0.47 1 115 TYR 3.91 -0.43 1 116 MET 4.98 -0.68 1 117 LEU 3.06 -0.86 1 118 GLU 3.90 -1.10 1 119 LYS 3.05 -0.44 1 120 SER 2.46 -0.23 1 121 LEU -1.30 0.07 1 124 ASP 2.01 0.16 1 125 PHE 1.34 0.20 1 126 THR 1.42 0.01 1 128 ALA 3.21 -0.21 1 129 THR 8.00 -0.56 1 130 ARG 5.36 -0.65 1 131 THR 6.08 -0.51 1 132 ALA 4.32 -0.30 1 133 TRP 4.90 -0.62 1 134 SER 5.50 -0.14 1 135 ARG 4.86 -0.25 1 136 LEU 4.14 -0.36 1 137 TYR 5.77 -0.88 1 139 ALA 3.75 -0.32 1 140 VAL 6.27 -0.74 1 142 GLN 4.90 -0.59 1 143 ALA 2.71 -0.10 1 144 MET 2.96 0.29 1 145 SER 4.24 0.08 1 146 ARG 3.63 0.16 1 148 TRP 1.44 0.05 1 149 ASP 0.40 0.25 1 151 GLU 0.49 -0.09 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19819_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -2.65 _LACS_plot.Line_1_terminator_val_y_1 -0.67 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.04 _LACS_plot.Line_2_terminator_val_x_2 8.67 _LACS_plot.Line_2_terminator_val_y_2 3.17 _LACS_plot.Y_axis_chem_shift_offset -0.47 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 92 LEU 2.75 7.22 0 10 ARG 5.37 3.70 1 11 GLN 4.31 2.83 1 12 SER 2.11 2.17 1 13 TRP -0.71 1.65 1 14 ARG 4.44 1.97 1 15 VAL 4.86 2.21 1 16 VAL 3.86 1.71 1 17 SER 3.30 -0.18 1 18 ARG 2.41 1.44 1 22 GLU 4.39 3.42 1 23 HIS 4.72 4.24 1 25 THR 6.58 1.56 1 26 VAL 5.92 2.50 1 27 LEU 4.99 2.06 1 28 PHE 6.10 1.31 1 29 ALA 4.26 3.83 1 30 ARG 2.32 0.77 1 31 LEU 3.52 1.09 1 32 PHE 1.24 2.00 1 33 ALA 2.31 2.59 1 34 LEU 0.73 1.10 1 35 GLU -2.02 -2.49 1 37 SER 3.48 0.65 1 38 LEU 1.35 0.27 1 39 LEU 8.68 0.29 1 41 LEU 2.44 -0.48 1 42 PHE 0.68 -1.77 1 43 GLN -2.34 -1.52 1 44 TYR -1.99 -1.43 1 45 ASN 2.11 0.20 1 47 ARG -2.29 -1.14 1 48 GLN -2.65 0.44 1 49 PHE -0.39 0.82 1 50 SER 1.28 -0.38 1 51 SER -0.99 0.11 1 53 GLU 5.54 2.27 1 54 ASP 2.05 2.39 1 55 SER 5.11 1.34 1 56 LEU 2.93 -1.02 1 57 SER -1.48 -0.02 1 58 SER -2.19 0.82 1 60 GLU 5.24 2.78 1 61 PHE 3.40 2.53 1 62 LEU 5.37 2.08 1 63 ASP 3.41 1.76 1 64 HIS 5.53 2.50 1 65 ILE 7.08 1.93 1 66 ARG 5.11 2.52 1 67 LYS 5.08 2.20 1 68 VAL 6.43 2.18 1 69 MET 4.34 3.67 1 70 LEU 3.14 2.54 1 71 VAL 6.90 1.16 1 72 ILE 7.23 0.95 1 73 ASP 1.43 1.84 1 74 ALA 4.46 2.45 1 75 ALA 5.40 -0.32 1 76 VAL 6.45 3.69 1 77 THR 5.61 0.55 1 78 ASN 0.30 -0.12 1 79 VAL 5.10 -1.39 1 80 GLU 1.88 0.55 1 81 ASP 0.84 -0.22 1 82 LEU 1.86 1.95 1 83 SER 5.50 2.84 1 84 SER 3.25 0.82 1 85 LEU -2.44 -0.60 1 86 GLU 4.76 1.88 1 87 GLU 4.64 2.82 1 88 TYR 4.09 2.80 1 89 LEU 3.70 2.61 1 90 THR 7.70 2.76 1 91 SER 5.50 3.62 1 94 ARG 5.88 4.31 1 95 LYS 4.20 4.24 1 96 HIS 5.84 4.44 1 97 ARG 3.15 1.96 1 98 ALA 0.92 -0.44 1 99 VAL 2.62 -1.06 1 101 VAL -1.93 0.45 1 102 ARG 2.64 2.62 1 103 LEU 3.90 2.16 1 104 SER 4.19 0.28 1 105 SER 6.91 4.97 1 106 PHE 5.50 1.46 1 107 SER 5.59 3.29 1 108 THR 7.19 0.53 1 109 VAL 3.29 3.68 1 111 GLU 5.50 0.69 1 112 SER 4.29 0.36 1 113 LEU 4.96 1.28 1 114 LEU 3.91 0.70 1 115 TYR 4.98 2.75 1 116 MET 3.06 -0.04 1 117 LEU 3.90 3.23 1 118 GLU 3.05 2.22 1 119 LYS 2.46 1.67 1 120 SER -1.30 1.72 1 121 LEU 2.01 0.57 1 124 ASP 1.34 -2.00 1 125 PHE 1.42 -0.08 1 126 THR 3.21 2.97 1 128 ALA 8.00 0.79 1 129 THR 5.36 2.42 1 130 ARG 6.08 1.51 1 131 THR 4.32 2.12 1 132 ALA 4.90 2.85 1 133 TRP 5.50 3.10 1 134 SER 4.86 2.61 1 135 ARG 4.14 0.40 1 136 LEU 5.77 1.21 1 137 TYR 3.75 3.11 1 139 ALA 6.27 1.54 1 140 VAL 4.90 2.89 1 142 GLN 2.71 2.65 1 143 ALA 2.96 4.05 1 144 MET 4.24 1.84 1 145 SER 3.63 3.10 1 146 ARG 1.44 0.18 1 148 TRP 0.40 0.54 1 149 ASP 0.49 5.12 1 stop_ save_