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 bmr5404_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.74 _LACS_plot.Line_1_terminator_val_y_1 -3.28 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.56 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.73 _LACS_plot.Line_2_terminator_val_x_2 7.39 _LACS_plot.Line_2_terminator_val_y_2 5.27 _LACS_plot.Y_axis_chem_shift_offset 0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 60 ILE -7.74 -1.23 0 51 VAL -0.36 -3.77 0 66 ARG 5.41 -0.47 0 10 ASP -0.01 1.72 1 11 GLU 2.84 1.91 1 12 ARG 3.93 2.88 1 13 LEU -0.31 0.28 1 14 ARG -2.13 -2.70 1 15 LYS 1.29 0.50 1 16 VAL 1.15 -0.61 1 17 ALA -1.02 -0.01 1 18 LYS -0.25 -0.62 1 20 VAL 1.62 0.29 1 21 GLU 1.91 1.98 1 22 GLU -4.13 -1.60 1 23 VAL 4.93 1.44 1 24 ASN -3.46 -2.85 1 25 ALA 4.12 2.72 1 26 GLU 3.78 2.14 1 27 ILE 3.88 -0.05 1 28 GLN 6.50 3.76 1 29 ARG 4.89 2.79 1 30 ILE 5.39 4.62 1 31 VAL 5.88 4.13 1 32 ASP 5.60 3.66 1 33 ASP 3.77 2.38 1 34 MET 5.62 4.98 1 35 PHE 7.39 6.20 1 36 GLU 3.30 3.31 1 37 THR 6.12 5.06 1 38 MET 4.20 4.32 1 39 TYR 3.84 2.12 1 40 ALA 4.11 2.82 1 41 GLU -0.31 -0.26 1 42 GLU 4.24 0.54 1 44 ILE 0.65 -0.25 1 46 LEU -4.55 -0.18 1 47 ALA -5.73 -3.45 1 48 ALA 4.16 3.38 1 49 THR 2.89 4.94 1 50 GLN -0.51 2.32 1 52 ASP 0.50 0.05 1 53 ILE -0.71 -1.40 1 54 HIS 0.71 -0.01 1 55 GLN -7.55 -2.25 1 56 ARG 3.52 1.09 1 57 ILE -3.55 -0.31 1 58 ILE -6.25 -2.01 1 59 VAL -3.02 -3.73 1 61 ASP 0.50 0.93 1 62 VAL -0.04 -1.97 1 63 SER -0.60 0.15 1 64 GLU 2.37 1.90 1 65 ASN 0.33 -0.52 1 67 ASP -2.33 -2.21 1 68 GLU -2.51 -2.02 1 69 ARG 1.17 0.89 1 70 LEU -2.99 -0.67 1 71 VAL -2.59 -1.23 1 72 LEU -3.28 -2.14 1 73 ILE -0.74 -1.72 1 74 ASN 5.17 2.73 1 76 GLU -5.52 -2.45 1 77 LEU 0.05 0.38 1 78 LEU 0.88 0.74 1 79 GLU -5.13 -1.51 1 80 LYS -3.88 -1.36 1 81 SER -2.47 -0.74 1 83 GLU -4.20 -1.19 1 84 THR -1.85 -2.97 1 86 ILE -5.42 -1.97 1 87 GLU 0.49 -0.45 1 88 GLU -2.34 -0.67 1 91 LEU 1.34 1.46 1 92 SER 0.37 1.09 1 93 ILE -0.86 -0.47 1 95 GLU 4.25 2.71 1 96 GLN -1.31 0.08 1 97 ARG -4.90 -1.81 1 98 ALA -4.79 -0.73 1 99 LEU 0.01 -0.23 1 100 VAL -3.68 -1.89 1 102 ARG -7.27 -3.20 1 103 ALA -0.56 -0.83 1 104 GLU -0.42 0.62 1 105 LYS -4.36 -2.54 1 106 VAL -6.79 -4.10 1 107 LYS -3.39 -1.39 1 108 ILE -7.29 -4.01 1 109 ARG -4.93 -2.37 1 110 ALA -4.81 -2.12 1 111 LEU -3.34 -2.33 1 112 ASP -2.31 -2.89 1 113 ARG 3.51 2.38 1 114 ASP -1.39 -0.54 1 116 LYS 0.16 -0.50 1 118 PHE -2.80 -1.48 1 119 GLU -5.59 -2.68 1 120 LEU -5.09 -1.24 1 121 GLU -2.80 -1.69 1 122 ALA -6.21 -2.59 1 123 ASP -4.66 -2.80 1 125 LEU 2.82 2.08 1 126 LEU 4.55 2.79 1 127 ALA 3.59 2.17 1 128 ILE 5.86 5.00 1 130 ILE 6.78 5.73 1 131 GLN 2.24 3.66 1 132 HIS 5.42 4.42 1 133 GLU 2.86 0.93 1 134 MET 6.13 5.05 1 135 ASP 4.73 1.83 1 136 HIS 4.51 4.46 1 137 LEU 0.22 0.23 1 138 VAL 0.25 -2.55 1 140 LYS -2.05 -1.01 1 141 LEU -5.77 -3.65 1 142 PHE 5.60 2.88 1 143 MET 1.87 -0.35 1 144 ASP 3.30 1.57 1 145 TYR 2.48 1.59 1 146 LEU -0.03 -0.63 1 147 SER 0.46 1.29 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5404_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.74 _LACS_plot.Line_1_terminator_val_y_1 4.46 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.44 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.27 _LACS_plot.Line_2_terminator_val_x_2 7.39 _LACS_plot.Line_2_terminator_val_y_2 -2.12 _LACS_plot.Y_axis_chem_shift_offset 0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 60 ILE -7.74 6.51 0 51 VAL -0.36 -3.41 0 66 ARG 5.41 -5.88 0 10 ASP -0.01 1.73 1 11 GLU 2.84 -0.93 1 12 ARG 3.93 -1.05 1 13 LEU -0.31 0.59 1 14 ARG -2.13 -0.57 1 15 LYS 1.29 -0.79 1 16 VAL 1.15 -1.76 1 17 ALA -1.02 1.01 1 18 LYS -0.25 -0.37 1 20 VAL 1.62 -1.33 1 21 GLU 1.91 0.07 1 22 GLU -4.13 2.53 1 23 VAL 4.93 -3.49 1 24 ASN -3.46 0.61 1 25 ALA 4.12 -1.40 1 26 GLU 3.78 -1.64 1 27 ILE 3.88 -3.93 1 28 GLN 6.50 -2.74 1 29 ARG 4.89 -2.10 1 30 ILE 5.39 -0.77 1 31 VAL 5.88 -1.75 1 32 ASP 5.60 -1.94 1 33 ASP 3.77 -1.39 1 34 MET 5.62 -0.64 1 35 PHE 7.39 -1.19 1 36 GLU 3.30 0.01 1 37 THR 6.12 -1.06 1 38 MET 4.20 0.12 1 39 TYR 3.84 -1.72 1 40 ALA 4.11 -1.29 1 41 GLU -0.31 0.05 1 42 GLU 4.24 -3.70 1 44 ILE 0.65 -0.90 1 46 LEU -4.55 4.37 1 47 ALA -5.73 2.28 1 48 ALA 4.16 -0.78 1 49 THR 2.89 2.05 1 50 GLN -0.51 2.83 1 52 ASP 0.50 -0.45 1 53 ILE -0.71 -0.69 1 54 HIS 0.71 -0.72 1 55 GLN -7.55 5.30 1 56 ARG 3.52 -2.43 1 57 ILE -3.55 3.24 1 58 ILE -6.25 4.24 1 59 VAL -3.02 -0.71 1 61 ASP 0.50 0.43 1 62 VAL -0.04 -1.93 1 63 SER -0.60 0.75 1 64 GLU 2.37 -0.47 1 65 ASN 0.33 -0.85 1 67 ASP -2.33 0.12 1 68 GLU -2.51 0.49 1 69 ARG 1.17 -0.28 1 70 LEU -2.99 2.32 1 71 VAL -2.59 1.36 1 72 LEU -3.28 1.14 1 73 ILE -0.74 -0.98 1 74 ASN 5.17 -2.44 1 76 GLU -5.52 3.07 1 77 LEU 0.05 0.33 1 78 LEU 0.88 -0.14 1 79 GLU -5.13 3.62 1 80 LYS -3.88 2.52 1 81 SER -2.47 1.73 1 83 GLU -4.20 3.01 1 84 THR -1.85 -1.12 1 86 ILE -5.42 3.45 1 87 GLU 0.49 -0.94 1 88 GLU -2.34 1.67 1 91 LEU 1.34 0.12 1 92 SER 0.37 0.72 1 93 ILE -0.86 0.39 1 95 GLU 4.25 -1.54 1 96 GLN -1.31 1.39 1 97 ARG -4.90 3.09 1 98 ALA -4.79 4.06 1 99 LEU 0.01 -0.24 1 100 VAL -3.68 1.79 1 102 ARG -7.27 4.07 1 103 ALA -0.56 -0.27 1 104 GLU -0.42 1.04 1 105 LYS -4.36 1.82 1 106 VAL -6.79 2.69 1 107 LYS -3.39 2.00 1 108 ILE -7.29 3.28 1 109 ARG -4.93 2.56 1 110 ALA -4.81 2.69 1 111 LEU -3.34 1.01 1 112 ASP -2.31 -0.58 1 113 ARG 3.51 -1.13 1 114 ASP -1.39 0.85 1 116 LYS 0.16 -0.66 1 118 PHE -2.80 1.32 1 119 GLU -5.59 2.91 1 120 LEU -5.09 3.85 1 121 GLU -2.80 1.11 1 122 ALA -6.21 3.62 1 123 ASP -4.66 1.86 1 125 LEU 2.82 -0.74 1 126 LEU 4.55 -1.76 1 127 ALA 3.59 -1.42 1 128 ILE 5.86 -0.86 1 130 ILE 6.78 -1.05 1 131 GLN 2.24 1.42 1 132 HIS 5.42 -1.00 1 133 GLU 2.86 -1.93 1 134 MET 6.13 -1.08 1 135 ASP 4.73 -2.90 1 136 HIS 4.51 -0.05 1 137 LEU 0.22 0.01 1 138 VAL 0.25 -2.80 1 140 LYS -2.05 1.04 1 141 LEU -5.77 2.12 1 142 PHE 5.60 -2.72 1 143 MET 1.87 -2.22 1 144 ASP 3.30 -1.73 1 145 TYR 2.48 -0.89 1 146 LEU -0.03 -0.60 1 147 SER 0.46 0.83 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5404_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.74 _LACS_plot.Line_1_terminator_val_y_1 0.80 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.22 _LACS_plot.Line_2_terminator_val_x_2 7.39 _LACS_plot.Line_2_terminator_val_y_2 -0.71 _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 38 MET 4.20 -1.19 0 49 THR 2.89 -1.10 0 102 ARG -7.27 0.12 0 55 GLN -7.55 1.42 0 10 ASP -0.01 -0.21 1 11 GLU 2.84 -0.27 1 12 ARG 3.93 -0.53 1 13 LEU -0.31 -0.33 1 14 ARG -2.13 0.18 1 15 LYS 1.29 -0.40 1 16 VAL 1.15 -0.23 1 17 ALA -1.02 -0.32 1 18 LYS -0.25 0.18 1 20 VAL 1.62 -0.16 1 21 GLU 1.91 -0.28 1 22 GLU -4.13 0.01 1 23 VAL 4.93 -0.55 1 24 ASN -3.46 0.10 1 25 ALA 4.12 -0.15 1 26 GLU 3.78 -0.19 1 27 ILE 3.88 -0.34 1 28 GLN 6.50 -0.63 1 29 ARG 4.89 -0.25 1 30 ILE 5.39 -0.59 1 31 VAL 5.88 -0.82 1 32 ASP 5.60 0.01 1 33 ASP 3.77 0.29 1 34 MET 5.62 -0.96 1 35 PHE 7.39 -0.77 1 36 GLU 3.30 -0.33 1 37 THR 6.12 -0.52 1 39 TYR 3.84 0.06 1 40 ALA 4.11 -0.11 1 41 GLU -0.31 -0.18 1 42 GLU 4.24 -0.41 1 44 ILE 0.65 0.55 1 46 LEU -4.55 0.04 1 47 ALA -5.73 0.80 1 48 ALA 4.16 -0.43 1 50 GLN -0.51 -0.61 1 51 VAL -0.36 0.82 1 52 ASP 0.50 -0.62 1 53 ILE -0.71 -0.28 1 54 HIS 0.71 -0.17 1 56 ARG 3.52 -0.08 1 57 ILE -3.55 0.33 1 58 ILE -6.25 0.66 1 59 VAL -3.02 0.86 1 60 ILE -7.74 0.46 1 61 ASP 0.50 0.25 1 62 VAL -0.04 0.46 1 63 SER -0.60 -0.18 1 64 GLU 2.37 -0.23 1 65 ASN 0.33 -0.06 1 66 ARG 5.41 -0.18 1 67 ASP -2.33 -0.04 1 68 GLU -2.51 0.18 1 69 ARG 1.17 -0.05 1 70 LEU -2.99 0.26 1 71 VAL -2.59 0.43 1 72 LEU -3.28 0.44 1 73 ILE -0.74 0.57 1 74 ASN 5.17 -0.75 1 76 GLU -5.52 0.14 1 77 LEU 0.05 0.03 1 78 LEU 0.88 0.08 1 79 GLU -5.13 0.21 1 80 LYS -3.88 0.98 1 81 SER -2.47 0.27 1 83 GLU -4.20 0.69 1 84 THR -1.85 0.25 1 86 ILE -5.42 0.34 1 87 GLU 0.49 -0.42 1 88 GLU -2.34 -0.04 1 91 LEU 1.34 -0.12 1 92 SER 0.37 0.44 1 93 ILE -0.86 0.13 1 95 GLU 4.25 -0.45 1 96 GLN -1.31 0.27 1 97 ARG -4.90 1.08 1 98 ALA -4.79 0.24 1 99 LEU 0.01 0.28 1 100 VAL -3.68 0.09 1 103 ALA -0.56 0.29 1 104 GLU -0.42 -0.36 1 105 LYS -4.36 0.87 1 106 VAL -6.79 1.01 1 107 LYS -3.39 1.12 1 108 ILE -7.29 1.18 1 109 ARG -4.93 0.84 1 110 ALA -4.81 0.10 1 111 LEU -3.34 0.75 1 112 ASP -2.31 0.18 1 113 ARG 3.51 -0.52 1 114 ASP -1.39 0.04 1 116 LYS 0.16 0.18 1 118 PHE -2.80 0.32 1 119 GLU -5.59 0.84 1 120 LEU -5.09 0.44 1 121 GLU -2.80 0.71 1 122 ALA -6.21 0.55 1 123 ASP -4.66 0.72 1 125 LEU 2.82 -0.38 1 126 LEU 4.55 -0.36 1 127 ALA 3.59 -0.67 1 128 ILE 5.86 -0.83 1 130 ILE 6.78 -0.88 1 131 GLN 2.24 -0.46 1 132 HIS 5.42 -0.68 1 133 GLU 2.86 0.41 1 134 MET 6.13 -0.63 1 135 ASP 4.73 -0.30 1 136 HIS 4.51 -0.14 1 137 LEU 0.22 0.44 1 138 VAL 0.25 0.61 1 140 LYS -2.05 -0.04 1 141 LEU -5.77 0.08 1 142 PHE 5.60 -0.09 1 143 MET 1.87 -0.47 1 144 ASP 3.30 -0.43 1 145 TYR 2.48 -0.25 1 146 LEU -0.03 0.19 1 147 SER 0.46 -0.23 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5404_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.74 _LACS_plot.Line_1_terminator_val_y_1 -3.20 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.38 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.22 _LACS_plot.Line_2_terminator_val_x_2 7.39 _LACS_plot.Line_2_terminator_val_y_2 2.35 _LACS_plot.Y_axis_chem_shift_offset 0.41 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 125 LEU 2.82 -5.68 0 97 ARG -4.90 4.51 0 11 GLU 2.84 2.71 1 12 ARG 3.93 0.94 1 13 LEU -0.31 -1.30 1 14 ARG -2.13 -0.38 1 15 LYS 1.29 -1.38 1 16 VAL 1.15 0.33 1 17 ALA -1.02 0.41 1 20 VAL 1.62 1.37 1 21 GLU 1.91 -0.94 1 22 GLU -4.13 -1.91 1 23 VAL 4.93 -2.91 1 24 ASN -3.46 2.98 1 25 ALA 4.12 2.17 1 26 GLU 3.78 2.02 1 27 ILE 3.88 1.50 1 28 GLN 6.50 0.96 1 29 ARG 4.89 2.27 1 30 ILE 5.39 1.49 1 31 VAL 5.88 -3.21 1 32 ASP 5.60 3.70 1 33 ASP 3.77 4.40 1 34 MET 5.62 1.63 1 35 PHE 7.39 1.14 1 36 GLU 3.30 3.31 1 37 THR 6.12 -0.67 1 38 MET 4.20 2.06 1 39 TYR 3.84 4.57 1 40 ALA 4.11 2.05 1 41 GLU -0.31 -2.13 1 42 GLU 4.24 -0.83 1 44 ILE 0.65 -2.06 1 46 LEU -4.55 -4.41 1 47 ALA -5.73 1.42 1 48 ALA 4.16 0.95 1 49 THR 2.89 1.67 1 50 GLN -0.51 -0.07 1 51 VAL -0.36 -1.10 1 52 ASP 0.50 -2.68 1 53 ILE -0.71 -1.78 1 54 HIS 0.71 3.74 1 55 GLN -7.55 -2.29 1 56 ARG 3.52 -4.14 1 57 ILE -3.55 -2.58 1 58 ILE -6.25 -2.47 1 59 VAL -3.02 -2.86 1 60 ILE -7.74 -1.30 1 61 ASP 0.50 0.56 1 62 VAL -0.04 0.60 1 63 SER -0.60 1.33 1 64 GLU 2.37 1.40 1 65 ASN 0.33 -1.04 1 66 ARG 5.41 -1.08 1 67 ASP -2.33 -2.62 1 68 GLU -2.51 -2.88 1 69 ARG 1.17 0.29 1 70 LEU -2.99 -1.42 1 71 VAL -2.59 -2.09 1 72 LEU -3.28 -3.28 1 73 ILE -0.74 -1.37 1 76 GLU -5.52 -1.88 1 77 LEU 0.05 0.68 1 78 LEU 0.88 -0.40 1 79 GLU -5.13 -3.19 1 80 LYS -3.88 -2.01 1 81 SER -2.47 -0.53 1 83 GLU -4.20 -2.53 1 84 THR -1.85 -2.17 1 86 ILE -5.42 -2.99 1 87 GLU 0.49 -1.99 1 88 GLU -2.34 -2.05 1 91 LEU 1.34 0.61 1 92 SER 0.37 -2.13 1 95 GLU 4.25 -0.25 1 96 GLN -1.31 -0.85 1 98 ALA -4.79 -3.19 1 99 LEU 0.01 -1.42 1 102 ARG -7.27 -0.97 1 103 ALA -0.56 -0.41 1 104 GLU -0.42 -1.75 1 105 LYS -4.36 -0.49 1 106 VAL -6.79 -2.93 1 107 LYS -3.39 -1.17 1 108 ILE -7.29 -2.41 1 109 ARG -4.93 -2.60 1 110 ALA -4.81 -4.60 1 111 LEU -3.34 -1.01 1 112 ASP -2.31 0.79 1 113 ARG 3.51 -1.66 1 114 ASP -1.39 0.88 1 118 PHE -2.80 -3.96 1 119 GLU -5.59 -1.27 1 120 LEU -5.09 -3.65 1 121 GLU -2.80 -2.29 1 122 ALA -6.21 -3.53 1 123 ASP -4.66 0.35 1 126 LEU 4.55 0.38 1 127 ALA 3.59 3.57 1 128 ILE 5.86 0.25 1 130 ILE 6.78 1.12 1 131 GLN 2.24 0.88 1 132 HIS 5.42 4.46 1 133 GLU 2.86 2.75 1 134 MET 6.13 3.96 1 135 ASP 4.73 2.75 1 136 HIS 4.51 5.06 1 137 LEU 0.22 1.41 1 138 VAL 0.25 -1.56 1 140 LYS -2.05 -2.73 1 141 LEU -5.77 2.03 1 142 PHE 5.60 0.60 1 143 MET 1.87 1.22 1 144 ASP 3.30 1.16 1 145 TYR 2.48 -0.06 1 146 LEU -0.03 -1.54 1 stop_ save_