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 bmr15981_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.28 _LACS_plot.Line_1_terminator_val_y_1 -3.11 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.08 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.39 _LACS_plot.Line_2_terminator_val_x_2 7.18 _LACS_plot.Line_2_terminator_val_y_2 5.47 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 79 ILE -7.28 -0.90 0 11 ILE -3.36 -0.85 1 12 ARG -4.47 -1.66 1 14 ALA -3.43 -0.93 1 15 ARG -2.00 -1.17 1 16 ILE 1.33 -1.67 1 17 ASN -2.69 -1.65 1 18 ASN 3.51 2.74 1 19 GLU 3.03 2.23 1 20 ILE 5.15 3.27 1 21 PHE 2.72 1.15 1 22 ASN -1.23 -0.40 1 23 LEU -1.85 -0.16 1 25 LEU -2.12 -1.43 1 26 LYS 0.73 -1.35 1 27 PHE -2.03 -1.48 1 28 GLN -6.11 -1.58 1 29 ILE -5.26 -1.95 1 30 LEU -6.23 -3.43 1 31 ASN 1.15 -0.16 1 32 ALA 1.72 1.17 1 33 ASP 4.42 2.54 1 34 VAL -1.83 -2.73 1 35 VAL -0.59 -1.15 1 36 ALA -0.84 -2.97 1 37 THR -0.59 2.23 1 38 LYS 4.64 4.01 1 39 LYS 3.74 3.85 1 40 HIS -2.09 2.34 1 41 VAL 5.19 4.08 1 42 LEU 4.10 3.12 1 43 HIS 2.86 5.03 1 44 ALA 4.55 3.17 1 45 ILE 4.94 4.72 1 46 ASN 4.15 3.93 1 47 GLN 2.68 2.43 1 48 ALA 2.19 1.88 1 49 LYS 1.21 1.94 1 50 THR -1.05 0.36 1 51 LYS -2.51 -2.52 1 52 LYS 1.10 0.33 1 54 ILE 0.89 2.13 1 55 ALA -3.53 -2.06 1 56 LYS 1.38 0.94 1 57 SER -4.97 -2.23 1 58 PHE 1.95 2.27 1 59 TRP 2.15 0.99 1 60 MET 2.32 0.98 1 61 GLU 2.66 2.07 1 62 ILE 5.10 4.97 1 63 LEU 3.41 3.52 1 64 VAL 4.60 4.14 1 65 ARG 2.02 0.74 1 66 ALA 3.11 1.86 1 67 SER -0.35 1.57 1 69 GLN -1.09 -1.41 1 70 ARG 0.94 1.81 1 71 GLN -0.84 -0.85 1 72 ILE 4.88 3.27 1 73 HIS 4.99 4.53 1 74 GLU 1.90 1.06 1 75 ALA 2.89 2.98 1 76 ILE 4.46 3.92 1 77 LYS 4.58 3.82 1 78 ILE 2.56 2.52 1 81 ALA -0.74 1.27 1 82 LYS -4.36 -1.82 1 83 ASP 2.66 2.13 1 85 ASN -0.34 -0.91 1 86 VAL -6.66 -3.23 1 88 LEU -3.08 -0.50 1 89 ILE -4.36 -1.36 1 91 GLU -0.32 1.38 1 92 ASP -4.76 -1.82 1 93 GLU 1.95 1.61 1 94 GLU 4.22 3.35 1 96 PHE 5.85 4.92 1 97 ARG 4.80 3.66 1 98 LYS 3.17 2.69 1 99 ILE 4.63 1.37 1 100 TYR 1.74 0.98 1 101 GLU 3.05 2.22 1 102 LEU 0.93 1.64 1 103 ILE 1.15 0.65 1 106 GLU -5.09 -2.16 1 107 ILE 3.88 1.89 1 108 ASP 0.07 -0.46 1 109 ASP 4.09 2.83 1 110 SER 4.82 3.37 1 111 VAL 2.96 1.00 1 112 LEU 1.79 0.42 1 113 GLU -0.95 -0.69 1 114 ILE 1.30 0.11 1 115 ASN -2.49 -1.34 1 116 GLU 4.25 4.11 1 117 ASP 3.74 3.22 1 118 LYS 3.31 3.29 1 119 GLU 6.03 4.54 1 120 ARG 4.43 3.73 1 121 LEU 2.89 2.82 1 122 ILE 5.72 5.21 1 123 ARG 5.65 4.64 1 124 GLU 2.46 2.35 1 125 ILE 3.56 2.38 1 126 PHE 2.77 1.75 1 127 LYS 4.70 0.55 1 128 ILE -1.12 -1.05 1 129 ARG -1.86 -1.16 1 131 PHE -0.11 0.08 1 133 ASN 0.25 0.57 1 134 VAL 5.24 3.85 1 135 VAL 6.40 4.97 1 136 GLU 3.83 2.73 1 137 ARG 2.25 1.83 1 138 VAL 7.19 5.04 1 139 LEU 6.05 3.07 1 140 GLU 2.10 2.25 1 141 LYS 2.99 1.98 1 142 ILE 4.79 3.09 1 143 ALA 2.01 1.43 1 144 LEU 1.16 0.39 1 145 ILE 2.32 2.11 1 146 GLU -0.95 -0.27 1 147 LEU -0.02 0.09 1 148 LYS -0.02 -0.12 1 149 LYS 0.01 0.05 1 150 GLU -0.04 1.38 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15981_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.28 _LACS_plot.Line_1_terminator_val_y_1 4.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.92 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.61 _LACS_plot.Line_2_terminator_val_x_2 7.18 _LACS_plot.Line_2_terminator_val_y_2 -1.71 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 79 ILE -7.28 6.38 0 11 ILE -3.36 2.51 1 12 ARG -4.47 2.81 1 14 ALA -3.43 2.50 1 15 ARG -2.00 0.83 1 16 ILE 1.33 -3.00 1 17 ASN -2.69 1.04 1 18 ASN 3.51 -0.77 1 19 GLU 3.03 -0.80 1 20 ILE 5.15 -1.88 1 21 PHE 2.72 -1.57 1 22 ASN -1.23 0.83 1 23 LEU -1.85 1.69 1 25 LEU -2.12 0.69 1 26 LYS 0.73 -2.08 1 27 PHE -2.03 0.55 1 28 GLN -6.11 4.53 1 29 ILE -5.26 3.31 1 30 LEU -6.23 2.80 1 31 ASN 1.15 -1.31 1 32 ALA 1.72 -0.55 1 33 ASP 4.42 -1.88 1 34 VAL -1.83 -0.90 1 35 VAL -0.59 -0.56 1 36 ALA -0.84 -2.13 1 37 THR -0.59 2.82 1 38 LYS 4.64 -0.63 1 39 LYS 3.74 0.11 1 40 HIS -2.09 4.43 1 41 VAL 5.19 -1.11 1 42 LEU 4.10 -0.98 1 43 HIS 2.86 2.17 1 44 ALA 4.55 -1.38 1 45 ILE 4.94 -0.22 1 46 ASN 4.15 -0.22 1 47 GLN 2.68 -0.25 1 48 ALA 2.19 -0.31 1 49 LYS 1.21 0.73 1 50 THR -1.05 1.41 1 51 LYS -2.51 -0.01 1 52 LYS 1.10 -0.77 1 54 ILE 0.89 1.24 1 55 ALA -3.53 1.47 1 56 LYS 1.38 -0.44 1 57 SER -4.97 2.74 1 58 PHE 1.95 0.32 1 59 TRP 2.15 -1.16 1 60 MET 2.32 -1.34 1 61 GLU 2.66 -0.59 1 62 ILE 5.10 -0.13 1 63 LEU 3.41 0.11 1 64 VAL 4.60 -0.46 1 65 ARG 2.02 -1.28 1 66 ALA 3.11 -1.25 1 67 SER -0.35 1.92 1 69 GLN -1.09 -0.32 1 70 ARG 0.94 0.87 1 71 GLN -0.84 -0.01 1 72 ILE 4.88 -1.61 1 73 HIS 4.99 -0.46 1 74 GLU 1.90 -0.84 1 75 ALA 2.89 0.09 1 76 ILE 4.46 -0.54 1 77 LYS 4.58 -0.76 1 78 ILE 2.56 -0.04 1 81 ALA -0.74 2.01 1 82 LYS -4.36 2.54 1 83 ASP 2.66 -0.53 1 85 ASN -0.34 -0.57 1 86 VAL -6.66 3.43 1 88 LEU -3.08 2.58 1 89 ILE -4.36 3.00 1 91 GLU -0.32 1.70 1 92 ASP -4.76 2.94 1 93 GLU 1.95 -0.34 1 94 GLU 4.22 -0.87 1 96 PHE 5.85 -0.93 1 97 ARG 4.80 -1.14 1 98 LYS 3.17 -0.48 1 99 ILE 4.63 -3.26 1 100 TYR 1.74 -0.76 1 101 GLU 3.05 -0.83 1 102 LEU 0.93 0.71 1 103 ILE 1.15 -0.50 1 106 GLU -5.09 2.93 1 107 ILE 3.88 -1.99 1 108 ASP 0.07 -0.53 1 109 ASP 4.09 -1.26 1 110 SER 4.82 -1.45 1 111 VAL 2.96 -1.96 1 112 LEU 1.79 -1.37 1 113 GLU -0.95 0.26 1 114 ILE 1.30 -1.19 1 115 ASN -2.49 1.15 1 116 GLU 4.25 -0.14 1 117 ASP 3.74 -0.52 1 118 LYS 3.31 -0.02 1 119 GLU 6.03 -1.49 1 120 ARG 4.43 -0.70 1 121 LEU 2.89 -0.07 1 122 ILE 5.72 -0.51 1 123 ARG 5.65 -1.01 1 124 GLU 2.46 -0.11 1 125 ILE 3.56 -1.18 1 126 PHE 2.77 -1.02 1 127 LYS 4.70 -4.15 1 128 ILE -1.12 0.07 1 129 ARG -1.86 0.70 1 131 PHE -0.11 0.19 1 133 ASN 0.25 0.32 1 134 VAL 5.24 -1.39 1 135 VAL 6.40 -1.43 1 136 GLU 3.83 -1.10 1 137 ARG 2.25 -0.42 1 138 VAL 7.19 -2.15 1 139 LEU 6.05 -2.98 1 140 GLU 2.10 0.15 1 141 LYS 2.99 -1.01 1 142 ILE 4.79 -1.70 1 143 ALA 2.01 -0.58 1 144 LEU 1.16 -0.77 1 145 ILE 2.32 -0.21 1 146 GLU -0.95 0.68 1 147 LEU -0.02 0.11 1 148 LYS -0.02 -0.10 1 149 LYS 0.01 0.04 1 150 GLU -0.04 1.42 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15981_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.28 _LACS_plot.Line_1_terminator_val_y_1 0.61 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.31 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.09 _LACS_plot.Line_2_terminator_val_x_2 7.18 _LACS_plot.Line_2_terminator_val_y_2 -0.85 _LACS_plot.Y_axis_chem_shift_offset 0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 86 VAL -6.66 1.33 0 85 ASN -0.34 0.97 0 29 ILE -5.26 1.41 0 89 ILE -4.36 1.36 0 11 ILE -3.36 0.49 1 12 ARG -4.47 0.67 1 14 ALA -3.43 -0.22 1 15 ARG -2.00 0.17 1 16 ILE 1.33 -0.50 1 17 ASN -2.69 0.02 1 18 ASN 3.51 -0.31 1 19 GLU 3.03 -0.30 1 20 ILE 5.15 -0.49 1 21 PHE 2.72 -0.02 1 22 ASN -1.23 0.37 1 23 LEU -1.85 0.03 1 25 LEU -2.12 0.07 1 26 LYS 0.73 -0.77 1 27 PHE -2.03 -0.26 1 28 GLN -6.11 -0.04 1 30 LEU -6.23 0.82 1 31 ASN 1.15 -0.07 1 32 ALA 1.72 -0.57 1 33 ASP 4.42 -0.23 1 34 VAL -1.83 0.28 1 35 VAL -0.59 0.10 1 36 ALA -0.84 0.17 1 37 THR -0.59 0.09 1 38 LYS 4.64 -0.74 1 39 LYS 3.74 -0.48 1 40 HIS -2.09 -0.55 1 41 VAL 5.19 -0.94 1 42 LEU 4.10 -0.48 1 43 HIS 2.86 -0.44 1 44 ALA 4.55 -0.59 1 45 ILE 4.94 -0.88 1 46 ASN 4.15 -0.37 1 47 GLN 2.68 -0.60 1 48 ALA 2.19 -0.34 1 49 LYS 1.21 -0.15 1 50 THR -1.05 0.07 1 51 LYS -2.51 0.21 1 52 LYS 1.10 -0.28 1 54 ILE 0.89 -0.31 1 55 ALA -3.53 0.18 1 56 LYS 1.38 -0.14 1 57 SER -4.97 0.29 1 58 PHE 1.95 -0.45 1 59 TRP 2.15 -1.02 1 60 MET 2.32 -0.08 1 61 GLU 2.66 -0.58 1 62 ILE 5.10 -1.19 1 63 LEU 3.41 -0.72 1 64 VAL 4.60 -0.64 1 65 ARG 2.02 -0.29 1 66 ALA 3.11 -0.19 1 67 SER -0.35 -0.05 1 69 GLN -1.09 0.09 1 70 ARG 0.94 -0.41 1 71 GLN -0.84 0.06 1 72 ILE 4.88 -0.68 1 73 HIS 4.99 -0.58 1 74 GLU 1.90 -0.35 1 75 ALA 2.89 -0.54 1 76 ILE 4.46 -0.99 1 77 LYS 4.58 -0.46 1 78 ILE 2.56 -0.47 1 79 ILE -7.28 0.57 1 81 ALA -0.74 -0.63 1 82 LYS -4.36 0.10 1 83 ASP 2.66 -0.48 1 88 LEU -3.08 0.62 1 91 GLU -0.32 0.35 1 92 ASP -4.76 0.32 1 93 GLU 1.95 -0.26 1 94 GLU 4.22 -0.30 1 96 PHE 5.85 -0.94 1 97 ARG 4.80 -0.62 1 98 LYS 3.17 -0.47 1 99 ILE 4.63 -0.86 1 100 TYR 1.74 -0.51 1 101 GLU 3.05 -0.82 1 102 LEU 0.93 -0.24 1 103 ILE 1.15 0.62 1 106 GLU -5.09 0.45 1 107 ILE 3.88 -0.27 1 108 ASP 0.07 -0.08 1 109 ASP 4.09 -0.27 1 110 SER 4.82 -0.85 1 111 VAL 2.96 0.00 1 112 LEU 1.79 -0.43 1 113 GLU -0.95 -0.23 1 114 ILE 1.30 -0.23 1 115 ASN -2.49 0.08 1 116 GLU 4.25 -0.27 1 117 ASP 3.74 -0.20 1 118 LYS 3.31 -0.19 1 119 GLU 6.03 -0.72 1 120 ARG 4.43 -0.40 1 121 LEU 2.89 -0.16 1 122 ILE 5.72 -0.53 1 123 ARG 5.65 -0.54 1 124 GLU 2.46 -0.23 1 125 ILE 3.56 -0.44 1 126 PHE 2.77 -0.25 1 127 LYS 4.70 -0.47 1 128 ILE -1.12 -0.10 1 129 ARG -1.86 0.09 1 131 PHE -0.11 -0.11 1 133 ASN 0.25 -0.33 1 134 VAL 5.24 -0.68 1 135 VAL 6.40 -0.97 1 136 GLU 3.83 -0.68 1 137 ARG 2.25 -0.35 1 138 VAL 7.19 -1.17 1 139 LEU 6.05 -0.89 1 140 GLU 2.10 -0.46 1 141 LYS 2.99 -0.23 1 142 ILE 4.79 -0.19 1 143 ALA 2.01 -0.20 1 144 LEU 1.16 -0.09 1 145 ILE 2.32 -0.33 1 146 GLU -0.95 -0.19 1 147 LEU -0.02 -0.09 1 148 LYS -0.02 -0.05 1 149 LYS 0.01 -0.07 1 150 GLU -0.04 -0.30 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15981_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.28 _LACS_plot.Line_1_terminator_val_y_1 -2.14 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.75 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.41 _LACS_plot.Line_2_terminator_val_x_2 7.18 _LACS_plot.Line_2_terminator_val_y_2 2.16 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 26 LYS 0.73 -4.70 0 11 ILE -3.36 -2.30 1 12 ARG -4.47 0.80 1 14 ALA -3.43 0.10 1 15 ARG -2.00 -1.10 1 16 ILE 1.33 -2.20 1 17 ASN -2.69 0.30 1 18 ASN 3.51 1.40 1 19 GLU 3.03 2.80 1 20 ILE 5.15 -0.20 1 21 PHE 2.72 0.30 1 22 ASN -1.23 3.50 1 23 LEU -1.85 -0.20 1 25 LEU -2.12 -1.20 1 27 PHE -2.03 -3.40 1 28 GLN -6.11 -4.10 1 29 ILE -5.26 -3.60 1 30 LEU -6.23 -0.80 1 31 ASN 1.15 0.70 1 32 ALA 1.72 0.40 1 33 ASP 4.42 -1.80 1 34 VAL -1.83 -3.40 1 35 VAL -0.59 -0.20 1 36 ALA -0.84 -0.70 1 37 THR -0.59 -0.50 1 38 LYS 4.64 0.70 1 39 LYS 3.74 1.70 1 40 HIS -2.09 2.60 1 41 VAL 5.19 0.40 1 42 LEU 4.10 1.70 1 43 HIS 2.86 3.10 1 44 ALA 4.55 1.10 1 45 ILE 4.94 0.40 1 46 ASN 4.15 4.40 1 47 GLN 2.68 0.70 1 48 ALA 2.19 0.90 1 49 LYS 1.21 1.30 1 50 THR -1.05 -0.20 1 51 LYS -2.51 -0.50 1 52 LYS 1.10 0.00 1 54 ILE 0.89 0.70 1 55 ALA -3.53 -0.30 1 56 LYS 1.38 -0.30 1 57 SER -4.97 -0.30 1 58 PHE 1.95 -1.10 1 59 TRP 2.15 4.00 1 60 MET 2.32 1.10 1 61 GLU 2.66 2.20 1 62 ILE 5.10 0.20 1 63 LEU 3.41 1.20 1 64 VAL 4.60 2.60 1 65 ARG 2.02 2.10 1 66 ALA 3.11 -0.30 1 67 SER -0.35 0.00 1 69 GLN -1.09 -3.30 1 70 ARG 0.94 -0.20 1 71 GLN -0.84 1.80 1 72 ILE 4.88 0.40 1 73 HIS 4.99 4.10 1 74 GLU 1.90 1.30 1 75 ALA 2.89 1.50 1 76 ILE 4.46 2.20 1 77 LYS 4.58 1.20 1 78 ILE 2.56 -0.10 1 79 ILE -7.28 -1.20 1 81 ALA -0.74 -1.60 1 82 LYS -4.36 -2.00 1 83 ASP 2.66 -0.40 1 85 ASN -0.34 1.30 1 86 VAL -6.66 -2.90 1 88 LEU -3.08 -4.20 1 89 ILE -4.36 -0.60 1 91 GLU -0.32 -0.60 1 92 ASP -4.76 -1.00 1 93 GLU 1.95 1.90 1 94 GLU 4.22 2.70 1 96 PHE 5.85 0.00 1 97 ARG 4.80 2.10 1 98 LYS 3.17 3.30 1 99 ILE 4.63 1.80 1 100 TYR 1.74 2.40 1 101 GLU 3.05 1.40 1 102 LEU 0.93 1.40 1 103 ILE 1.15 0.50 1 106 GLU -5.09 -1.20 1 107 ILE 3.88 -0.20 1 108 ASP 0.07 -1.20 1 109 ASP 4.09 2.70 1 110 SER 4.82 3.10 1 111 VAL 2.96 0.60 1 112 LEU 1.79 -0.70 1 113 GLU -0.95 0.70 1 114 ILE 1.30 -1.90 1 115 ASN -2.49 -0.40 1 116 GLU 4.25 2.10 1 117 ASP 3.74 2.70 1 118 LYS 3.31 1.60 1 119 GLU 6.03 1.10 1 120 ARG 4.43 2.60 1 121 LEU 2.89 1.10 1 122 ILE 5.72 1.80 1 123 ARG 5.65 2.40 1 124 GLU 2.46 2.90 1 125 ILE 3.56 1.60 1 126 PHE 2.77 -2.00 1 127 LYS 4.70 -0.90 1 128 ILE -1.12 -0.70 1 129 ARG -1.86 0.40 1 131 PHE -0.11 0.70 1 133 ASN 0.25 1.10 1 134 VAL 5.24 -0.80 1 135 VAL 6.40 0.90 1 136 GLU 3.83 3.00 1 137 ARG 2.25 3.30 1 138 VAL 7.19 0.60 1 139 LEU 6.05 1.90 1 140 GLU 2.10 1.70 1 141 LYS 2.99 3.30 1 142 ILE 4.79 1.40 1 143 ALA 2.01 -2.60 1 144 LEU 1.16 -0.20 1 145 ILE 2.32 -0.20 1 146 GLU -0.95 1.80 1 147 LEU -0.02 -0.70 1 148 LYS -0.02 -0.70 1 149 LYS 0.01 -1.20 1 150 GLU -0.04 4.20 1 stop_ save_