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 bmr25995_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.27 _LACS_plot.Line_1_terminator_val_y_1 -3.41 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.45 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.77 _LACS_plot.Line_2_terminator_val_x_2 6.71 _LACS_plot.Line_2_terminator_val_y_2 4.55 _LACS_plot.Y_axis_chem_shift_offset 0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 94 TYR -6.81 -1.56 0 57 ILE -0.52 -3.48 0 10 SER -0.05 -0.25 1 11 LEU 0.02 -0.39 1 12 VAL 0.28 -0.25 1 15 SER -0.07 -0.07 1 16 ARG 0.73 -0.01 1 18 ALA -0.25 -0.34 1 19 SER 0.01 -0.29 1 20 ASN 0.11 -0.40 1 21 LYS -0.01 -0.63 1 22 TYR -1.70 -3.31 1 23 LEU 3.24 1.66 1 24 VAL -3.64 -2.18 1 25 GLU -5.19 -2.29 1 26 PHE -0.37 -1.74 1 27 ARG 1.16 0.37 1 28 ALA -3.05 -0.25 1 30 LYS -0.77 -0.34 1 31 MET -4.03 -1.67 1 32 SER -2.66 -1.69 1 33 LEU -1.51 -0.94 1 34 LYS -0.88 -1.11 1 36 THR 0.51 -0.68 1 37 THR -0.25 -0.15 1 38 VAL -1.17 -1.60 1 39 THR -2.04 -1.18 1 41 ASP -1.46 -0.95 1 42 LYS 2.24 1.30 1 43 ARG 2.69 1.75 1 44 LYS 0.90 0.01 1 46 LEU -6.19 -1.36 1 47 VAL -1.18 -2.63 1 48 TYR -4.28 -3.07 1 49 ILE -3.84 -3.40 1 50 GLN -6.25 -2.75 1 51 GLN -3.22 -2.35 1 52 THR 0.15 -0.49 1 53 ASP 4.19 2.80 1 54 ASP 0.45 -1.01 1 55 SER 4.18 3.00 1 56 LEU 1.68 -0.16 1 58 HIS -3.24 -2.40 1 59 PHE -2.59 -0.70 1 61 TRP -2.59 -0.24 1 62 LYS -8.20 -3.99 1 63 ASP -2.07 -1.47 1 64 ARG 2.98 2.47 1 65 THR 5.33 3.23 1 66 SER -0.75 0.03 1 68 ASN 0.67 0.39 1 69 VAL 2.74 0.52 1 70 GLU -1.09 1.12 1 71 ASP -3.45 -1.01 1 72 ASP 0.03 -0.37 1 73 LEU -3.34 -1.82 1 74 ILE 1.60 -0.28 1 75 ILE -3.22 -1.90 1 76 PHE 2.41 0.74 1 78 ASP 3.02 2.22 1 79 ASP 1.69 3.00 1 81 GLU -5.77 -2.04 1 82 PHE -5.06 -2.61 1 83 LYS -4.97 -1.83 1 84 ARG 0.61 -0.05 1 85 VAL 1.22 -0.25 1 87 GLN 2.99 0.90 1 90 SER 1.23 0.67 1 92 ARG 0.05 -1.01 1 93 VAL 0.40 -0.09 1 95 VAL -8.27 -5.41 1 96 LEU -2.36 -1.82 1 97 LYS -3.51 -1.84 1 98 PHE 1.13 -0.31 1 99 LYS 3.91 2.77 1 100 ALA -0.52 -0.95 1 102 SER 0.06 -0.12 1 103 LYS 2.36 1.32 1 104 ARG -3.60 -1.13 1 105 LEU -3.84 -1.12 1 106 PHE -3.37 -0.66 1 107 PHE -5.73 -1.30 1 108 TRP -4.79 -4.56 1 109 MET 1.59 1.11 1 110 GLN -1.80 -1.90 1 111 GLU 0.03 0.65 1 113 LYS -1.68 -1.89 1 114 THR 1.73 0.97 1 115 ASP 3.33 2.01 1 116 GLN -0.49 -0.85 1 117 ASP 6.41 4.25 1 118 GLU 3.26 2.16 1 119 GLU 2.77 1.70 1 120 HIS 4.65 3.64 1 122 ARG 4.85 3.68 1 123 LYS 3.47 2.74 1 124 VAL 6.71 4.58 1 125 ASN 3.93 4.56 1 126 GLU 3.51 2.47 1 127 TYR 3.85 2.80 1 128 LEU 3.39 1.54 1 129 ASN -0.11 0.86 1 130 ASN 0.07 0.04 1 133 MET -0.60 -0.70 1 136 ALA -0.04 -0.16 1 137 LEU 0.88 0.00 1 139 ALA -0.01 -0.16 1 140 SER 0.20 0.11 1 142 SER -0.22 -0.21 1 143 SER 0.18 0.15 1 145 HIS -0.11 0.51 1 146 GLU 0.32 -0.04 1 147 LEU 0.53 -0.12 1 148 SER -0.17 -0.27 1 149 ALA -0.26 -0.43 1 150 LEU 0.73 1.25 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25995_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.27 _LACS_plot.Line_1_terminator_val_y_1 4.86 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.55 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.23 _LACS_plot.Line_2_terminator_val_x_2 6.71 _LACS_plot.Line_2_terminator_val_y_2 -2.16 _LACS_plot.Y_axis_chem_shift_offset 0.31 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 94 TYR -6.81 5.25 0 57 ILE -0.52 -2.96 0 10 SER -0.05 -0.20 1 11 LEU 0.02 -0.41 1 12 VAL 0.28 -0.53 1 15 SER -0.07 0.00 1 16 ARG 0.73 -0.74 1 18 ALA -0.25 -0.09 1 19 SER 0.01 -0.30 1 20 ASN 0.11 -0.51 1 21 LYS -0.01 -0.62 1 22 TYR -1.70 -1.61 1 23 LEU 3.24 -1.58 1 24 VAL -3.64 1.46 1 25 GLU -5.19 2.90 1 26 PHE -0.37 -1.37 1 27 ARG 1.16 -0.79 1 28 ALA -3.05 2.80 1 30 LYS -0.77 0.43 1 31 MET -4.03 2.36 1 32 SER -2.66 0.97 1 33 LEU -1.51 0.57 1 34 LYS -0.88 -0.23 1 36 THR 0.51 -1.19 1 37 THR -0.25 0.10 1 38 VAL -1.17 -0.43 1 39 THR -2.04 0.86 1 41 ASP -1.46 0.51 1 42 LYS 2.24 -0.94 1 43 ARG 2.69 -0.94 1 44 LYS 0.90 -0.89 1 46 LEU -6.19 4.83 1 47 VAL -1.18 -1.45 1 48 TYR -4.28 1.21 1 49 ILE -3.84 0.44 1 50 GLN -6.25 3.50 1 51 GLN -3.22 0.87 1 52 THR 0.15 -0.64 1 53 ASP 4.19 -1.39 1 54 ASP 0.45 -1.46 1 55 SER 4.18 -1.18 1 56 LEU 1.68 -1.84 1 58 HIS -3.24 0.84 1 59 PHE -2.59 1.89 1 61 TRP -2.59 2.35 1 62 LYS -8.20 4.21 1 63 ASP -2.07 0.60 1 64 ARG 2.98 -0.51 1 65 THR 5.33 -2.10 1 66 SER -0.75 0.78 1 68 ASN 0.67 -0.28 1 69 VAL 2.74 -2.22 1 70 GLU -1.09 2.21 1 71 ASP -3.45 2.44 1 72 ASP 0.03 -0.40 1 73 LEU -3.34 1.52 1 74 ILE 1.60 -1.88 1 75 ILE -3.22 1.32 1 76 PHE 2.41 -1.67 1 78 ASP 3.02 -0.80 1 79 ASP 1.69 1.31 1 81 GLU -5.77 3.73 1 82 PHE -5.06 2.45 1 83 LYS -4.97 3.14 1 84 ARG 0.61 -0.66 1 85 VAL 1.22 -1.47 1 87 GLN 2.99 -2.09 1 90 SER 1.23 -0.56 1 92 ARG 0.05 -1.06 1 93 VAL 0.40 -0.49 1 95 VAL -8.27 2.86 1 96 LEU -2.36 0.54 1 97 LYS -3.51 1.67 1 98 PHE 1.13 -1.44 1 99 LYS 3.91 -1.14 1 100 ALA -0.52 -0.43 1 102 SER 0.06 -0.18 1 103 LYS 2.36 -1.04 1 104 ARG -3.60 2.47 1 105 LEU -3.84 2.72 1 106 PHE -3.37 2.71 1 107 PHE -5.73 4.43 1 108 TRP -4.79 0.23 1 109 MET 1.59 -0.48 1 110 GLN -1.80 -0.10 1 111 GLU 0.03 0.62 1 113 LYS -1.68 -0.21 1 114 THR 1.73 -0.76 1 115 ASP 3.33 -1.32 1 116 GLN -0.49 -0.36 1 117 ASP 6.41 -2.16 1 118 GLU 3.26 -1.10 1 119 GLU 2.77 -1.07 1 120 HIS 4.65 -1.01 1 122 ARG 4.85 -1.17 1 123 LYS 3.47 -0.73 1 124 VAL 6.71 -2.13 1 125 ASN 3.93 0.63 1 126 GLU 3.51 -1.04 1 127 TYR 3.85 -1.05 1 128 LEU 3.39 -1.85 1 129 ASN -0.11 0.97 1 130 ASN 0.07 -0.03 1 133 MET -0.60 -0.10 1 136 ALA -0.04 -0.12 1 137 LEU 0.88 -0.88 1 139 ALA -0.01 -0.15 1 140 SER 0.20 -0.09 1 142 SER -0.22 0.01 1 143 SER 0.18 -0.03 1 145 HIS -0.11 0.62 1 146 GLU 0.32 -0.36 1 147 LEU 0.53 -0.65 1 148 SER -0.17 -0.10 1 149 ALA -0.26 -0.17 1 150 LEU 0.73 0.52 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25995_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.27 _LACS_plot.Line_1_terminator_val_y_1 0.81 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.26 _LACS_plot.Line_2_terminator_val_x_2 6.71 _LACS_plot.Line_2_terminator_val_y_2 -0.62 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 93 VAL 0.40 1.03 0 51 GLN -3.22 1.39 0 82 PHE -5.06 1.55 0 84 ARG 0.61 -1.07 0 10 SER -0.05 -0.05 1 11 LEU 0.02 0.04 1 12 VAL 0.28 -0.07 1 15 SER -0.07 -0.05 1 16 ARG 0.73 -0.01 1 18 ALA -0.25 -0.02 1 19 SER 0.01 -0.14 1 20 ASN 0.11 -0.23 1 21 LYS -0.01 -0.27 1 22 TYR -1.70 0.37 1 23 LEU 3.24 -0.41 1 24 VAL -3.64 0.25 1 25 GLU -5.19 0.94 1 26 PHE -0.37 -0.06 1 28 ALA -3.05 0.37 1 30 LYS -0.77 0.37 1 31 MET -4.03 0.46 1 32 SER -2.66 0.24 1 33 LEU -1.51 0.28 1 34 LYS -0.88 0.11 1 36 THR 0.51 -0.04 1 37 THR -0.25 0.05 1 38 VAL -1.17 0.39 1 39 THR -2.04 0.12 1 41 ASP -1.46 0.16 1 42 LYS 2.24 0.21 1 44 LYS 0.90 0.09 1 46 LEU -6.19 0.32 1 47 VAL -1.18 0.27 1 48 TYR -4.28 0.19 1 49 ILE -3.84 0.99 1 50 GLN -6.25 0.69 1 52 THR 0.15 0.07 1 53 ASP 4.19 -0.31 1 54 ASP 0.45 -0.17 1 55 SER 4.18 -0.45 1 56 LEU 1.68 -0.19 1 57 ILE -0.52 0.38 1 58 HIS -3.24 0.57 1 59 PHE -2.59 -0.09 1 61 TRP -2.59 0.52 1 62 LYS -8.20 0.51 1 63 ASP -2.07 -0.62 1 64 ARG 2.98 -0.57 1 65 THR 5.33 -0.27 1 66 SER -0.75 -0.06 1 68 ASN 0.67 -0.18 1 69 VAL 2.74 -0.06 1 70 GLU -1.09 0.12 1 71 ASP -3.45 0.48 1 72 ASP 0.03 0.37 1 73 LEU -3.34 0.41 1 74 ILE 1.60 0.15 1 75 ILE -3.22 0.18 1 76 PHE 2.41 0.04 1 78 ASP 3.02 -0.29 1 79 ASP 1.69 0.02 1 81 GLU -5.77 0.16 1 83 LYS -4.97 0.48 1 85 VAL 1.22 -0.13 1 87 GLN 2.99 -0.13 1 90 SER 1.23 -0.09 1 92 ARG 0.05 0.29 1 94 TYR -6.81 0.26 1 95 VAL -8.27 0.99 1 96 LEU -2.36 0.62 1 97 LYS -3.51 0.40 1 98 PHE 1.13 0.16 1 99 LYS 3.91 -0.36 1 100 ALA -0.52 0.24 1 102 SER 0.06 -0.03 1 103 LYS 2.36 -0.07 1 104 ARG -3.60 0.82 1 105 LEU -3.84 0.30 1 106 PHE -3.37 0.62 1 107 PHE -5.73 1.15 1 108 TRP -4.79 1.37 1 109 MET 1.59 0.01 1 110 GLN -1.80 0.07 1 113 LYS -1.68 0.47 1 114 THR 1.73 -0.04 1 115 ASP 3.33 -0.31 1 116 GLN -0.49 0.07 1 117 ASP 6.41 -0.61 1 118 GLU 3.26 -0.22 1 119 GLU 2.77 -0.26 1 120 HIS 4.65 -0.53 1 122 ARG 4.85 -0.14 1 123 LYS 3.47 -0.42 1 124 VAL 6.71 -0.67 1 125 ASN 3.93 -0.48 1 126 GLU 3.51 -0.37 1 127 TYR 3.85 -0.20 1 128 LEU 3.39 -0.26 1 129 ASN -0.11 0.23 1 130 ASN 0.07 0.04 1 133 MET -0.60 0.12 1 136 ALA -0.04 -0.01 1 137 LEU 0.88 -0.01 1 139 ALA -0.01 0.03 1 140 SER 0.20 -0.04 1 142 SER -0.22 0.04 1 143 SER 0.18 0.00 1 145 HIS -0.11 -0.06 1 146 GLU 0.32 -0.11 1 147 LEU 0.53 0.00 1 148 SER -0.17 -0.06 1 149 ALA -0.26 0.05 1 150 LEU 0.73 -0.19 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25995_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.27 _LACS_plot.Line_1_terminator_val_y_1 -0.62 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -3.70 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.54 _LACS_plot.Line_2_terminator_val_x_2 6.71 _LACS_plot.Line_2_terminator_val_y_2 -5.00 _LACS_plot.Y_axis_chem_shift_offset 3.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 130 ASN 0.07 4.44 0 150 LEU 0.73 -11.38 0 10 SER -0.05 -0.32 1 11 LEU 0.02 -5.90 1 12 VAL 0.28 -0.74 1 15 SER -0.07 -0.72 1 16 ARG 0.73 -4.39 1 18 ALA -0.25 -6.94 1 19 SER 0.01 -0.03 1 20 ASN 0.11 -0.82 1 21 LYS -0.01 -3.74 1 22 TYR -1.70 -3.57 1 23 LEU 3.24 -5.82 1 24 VAL -3.64 0.36 1 25 GLU -5.19 -2.06 1 26 PHE -0.37 -0.23 1 27 ARG 1.16 -3.78 1 28 ALA -3.05 -4.99 1 30 LYS -0.77 -4.47 1 31 MET -4.03 -2.07 1 32 SER -2.66 1.60 1 33 LEU -1.51 -4.88 1 34 LYS -0.88 -4.22 1 36 THR 0.51 -0.43 1 37 THR -0.25 0.27 1 38 VAL -1.17 -3.09 1 39 THR -2.04 3.04 1 41 ASP -1.46 -5.54 1 42 LYS 2.24 -5.22 1 43 ARG 2.69 -6.10 1 44 LYS 0.90 -4.62 1 46 LEU -6.19 -3.61 1 47 VAL -1.18 -2.18 1 48 TYR -4.28 0.72 1 49 ILE -3.84 -2.54 1 50 GLN -6.25 -0.42 1 51 GLN -3.22 -4.11 1 52 THR 0.15 -3.12 1 53 ASP 4.19 -3.34 1 54 ASP 0.45 -4.00 1 55 SER 4.18 0.41 1 56 LEU 1.68 -3.80 1 57 ILE -0.52 -2.13 1 58 HIS -3.24 0.89 1 59 PHE -2.59 -1.55 1 61 TRP -2.59 -2.34 1 62 LYS -8.20 0.18 1 63 ASP -2.07 -5.15 1 64 ARG 2.98 -5.23 1 65 THR 5.33 -1.40 1 66 SER -0.75 -1.73 1 68 ASN 0.67 -1.36 1 69 VAL 2.74 -3.31 1 70 GLU -1.09 -3.20 1 71 ASP -3.45 -1.28 1 72 ASP 0.03 -2.44 1 73 LEU -3.34 -4.61 1 74 ILE 1.60 -3.67 1 75 ILE -3.22 -3.03 1 76 PHE 2.41 0.76 1 78 ASP 3.02 -3.37 1 79 ASP 1.69 -6.75 1 81 GLU -5.77 -0.80 1 82 PHE -5.06 -2.46 1 83 LYS -4.97 -1.61 1 84 ARG 0.61 -3.93 1 85 VAL 1.22 -2.69 1 87 GLN 2.99 -2.65 1 90 SER 1.23 -1.04 1 92 ARG 0.05 -2.42 1 93 VAL 0.40 -2.61 1 94 TYR -6.81 -0.38 1 95 VAL -8.27 0.11 1 96 LEU -2.36 -2.98 1 97 LYS -3.51 -3.66 1 98 PHE 1.13 -3.28 1 99 LYS 3.91 -5.11 1 100 ALA -0.52 -6.73 1 102 SER 0.06 -0.65 1 103 LYS 2.36 -4.06 1 104 ARG -3.60 -1.93 1 105 LEU -3.84 -2.71 1 106 PHE -3.37 -2.04 1 107 PHE -5.73 -1.12 1 108 TRP -4.79 -3.26 1 109 MET 1.59 -3.49 1 110 GLN -1.80 -3.96 1 111 GLU 0.03 -1.93 1 113 LYS -1.68 -5.33 1 114 THR 1.73 -2.84 1 115 ASP 3.33 -3.89 1 116 GLN -0.49 -2.74 1 117 ASP 6.41 -5.14 1 118 GLU 3.26 -7.11 1 119 GLU 2.77 -6.35 1 120 HIS 4.65 -1.99 1 122 ARG 4.85 -7.25 1 123 LYS 3.47 -6.10 1 124 VAL 6.71 -4.56 1 125 ASN 3.93 -3.71 1 126 GLU 3.51 -6.36 1 127 TYR 3.85 -3.56 1 128 LEU 3.39 -7.61 1 129 ASN -0.11 -1.13 1 133 MET -0.60 -0.44 1 136 ALA -0.04 -7.07 1 137 LEU 0.88 -6.96 1 139 ALA -0.01 -7.17 1 140 SER 0.20 -1.13 1 142 SER -0.22 -0.71 1 143 SER 0.18 -0.94 1 145 HIS -0.11 -0.28 1 146 GLU 0.32 -4.46 1 147 LEU 0.53 -6.30 1 148 SER -0.17 0.17 1 149 ALA -0.26 -5.58 1 stop_ save_