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 bmr4679_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.91 _LACS_plot.Line_1_terminator_val_y_1 -3.97 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.93 _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 6.17 _LACS_plot.Line_2_terminator_val_y_2 4.55 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 26 MET -9.63 -1.92 0 137 MET 3.54 -2.20 0 10 TRP -0.39 0.42 1 11 SER 0.42 0.14 1 12 LYS -3.54 -2.11 1 13 MET -2.13 -1.09 1 14 ASN -0.33 -1.30 1 15 LEU -4.33 -1.88 1 16 THR -6.82 -3.68 1 17 TYR -6.86 -3.09 1 18 ARG -4.34 -0.91 1 19 ILE 1.58 0.21 1 20 VAL 4.95 4.30 1 21 ASN -2.04 -1.76 1 22 TYR -2.70 -0.28 1 23 THR -2.30 -4.60 1 25 ASP 1.14 1.78 1 27 THR -0.84 -0.22 1 28 HIS 4.39 3.76 1 29 SER 4.25 3.00 1 30 GLU 2.49 2.93 1 31 VAL 5.57 4.69 1 32 GLU 4.07 3.31 1 33 LYS 3.39 3.14 1 34 ALA 4.57 3.12 1 35 PHE 3.49 1.07 1 36 LYS 4.69 4.61 1 37 LYS 3.89 3.58 1 38 ALA 2.98 3.22 1 39 PHE 6.12 5.35 1 40 LYS 2.42 2.14 1 41 VAL 4.54 2.87 1 42 TRP -1.07 0.24 1 43 SER 3.69 3.22 1 44 ASP 2.59 2.62 1 45 VAL -1.47 -1.80 1 46 THR -1.94 0.66 1 48 LEU -1.16 0.17 1 49 ASN -4.84 -0.93 1 50 PHE -3.07 -1.08 1 51 THR -1.92 -0.25 1 52 ARG -0.75 -0.71 1 53 LEU -3.94 -2.12 1 54 HIS -0.16 2.38 1 55 ASP -4.47 -1.68 1 57 ILE 0.78 -0.64 1 58 ALA -7.00 -3.43 1 59 ASP 4.32 4.40 1 60 ILE -0.17 0.13 1 61 MET -1.51 -1.56 1 62 ILE -2.17 -0.28 1 63 SER -4.25 -1.46 1 64 PHE -3.63 -1.37 1 66 ILE -4.80 -1.40 1 67 LYS 3.98 1.17 1 68 GLU 4.25 3.55 1 75 PHE 0.64 -0.82 1 76 ASP -1.62 -0.79 1 79 SER 0.85 0.13 1 81 LEU 2.47 1.33 1 82 LEU -0.51 0.75 1 83 ALA -4.17 -1.28 1 84 HIS -3.21 -0.92 1 85 ALA -6.48 -2.25 1 86 PHE -2.76 -0.76 1 92 TYR 4.06 1.23 1 95 ASP 2.70 1.78 1 96 ALA -5.13 -1.51 1 97 HIS -9.91 -4.20 1 98 PHE -3.21 -0.78 1 99 ASP -0.18 -0.32 1 100 ASP -0.61 -0.82 1 101 ASP 4.42 2.38 1 102 GLU -0.61 -3.48 1 103 THR 0.89 -0.15 1 104 TRP -2.93 -1.40 1 105 THR -3.43 -1.82 1 106 SER -0.79 -0.65 1 107 SER -2.58 -1.36 1 108 SER -0.50 -0.31 1 109 LYS 0.36 -0.65 1 111 TYR -1.18 0.42 1 112 ASN -0.56 1.40 1 113 LEU 3.60 3.09 1 114 PHE 4.95 2.89 1 115 LEU 1.73 2.68 1 116 VAL 4.52 3.66 1 117 ALA 4.12 2.77 1 118 ALA 6.11 4.09 1 119 HIS 4.11 3.85 1 120 GLU 4.11 2.23 1 121 PHE 1.63 -1.95 1 123 HIS 3.44 2.62 1 125 LEU -1.17 -0.01 1 127 LEU -0.08 -0.55 1 128 ASP -5.29 -3.88 1 129 HIS 2.24 2.30 1 130 SER -2.40 -1.85 1 131 LYS 0.55 -0.04 1 132 ASP -1.29 -0.89 1 135 ALA -1.45 -0.51 1 136 LEU 3.27 2.95 1 138 PHE 0.77 1.74 1 140 ILE -2.84 -1.05 1 141 TYR 1.23 1.18 1 142 THR -1.52 -0.52 1 143 TYR 0.26 0.83 1 144 THR -0.43 -0.50 1 146 LYS 0.39 0.29 1 149 PHE 0.90 1.56 1 150 MET -3.73 -1.96 1 151 LEU -1.02 0.22 1 153 ASP 3.61 3.75 1 154 ASP 1.88 4.61 1 155 ASP -0.22 2.32 1 156 VAL 5.87 4.75 1 157 GLN 4.20 2.92 1 159 ILE 0.19 0.09 1 160 GLN 5.24 2.70 1 161 SER 6.17 3.47 1 162 LEU -0.83 1.38 1 163 TYR -1.40 0.98 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4679_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.91 _LACS_plot.Line_1_terminator_val_y_1 5.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.07 _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 6.17 _LACS_plot.Line_2_terminator_val_y_2 -1.62 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 26 MET -9.63 7.71 0 137 MET 3.54 -5.74 0 10 TRP -0.39 0.81 1 11 SER 0.42 -0.28 1 12 LYS -3.54 1.43 1 13 MET -2.13 1.04 1 14 ASN -0.33 -0.97 1 15 LEU -4.33 2.45 1 16 THR -6.82 3.14 1 17 TYR -6.86 3.77 1 18 ARG -4.34 3.43 1 19 ILE 1.58 -1.37 1 20 VAL 4.95 -0.65 1 21 ASN -2.04 0.28 1 22 TYR -2.70 2.42 1 23 THR -2.30 -2.30 1 25 ASP 1.14 0.64 1 27 THR -0.84 0.62 1 28 HIS 4.39 -0.63 1 29 SER 4.25 -1.25 1 30 GLU 2.49 0.44 1 31 VAL 5.57 -0.88 1 32 GLU 4.07 -0.76 1 33 LYS 3.39 -0.25 1 34 ALA 4.57 -1.45 1 35 PHE 3.49 -2.42 1 36 LYS 4.69 -0.08 1 37 LYS 3.89 -0.31 1 38 ALA 2.98 0.24 1 39 PHE 6.12 -0.77 1 40 LYS 2.42 -0.28 1 41 VAL 4.54 -1.67 1 42 TRP -1.07 1.31 1 43 SER 3.69 -0.47 1 44 ASP 2.59 0.03 1 45 VAL -1.47 -0.33 1 46 THR -1.94 2.60 1 48 LEU -1.16 1.33 1 49 ASN -4.84 3.91 1 50 PHE -3.07 1.99 1 51 THR -1.92 1.67 1 52 ARG -0.75 0.04 1 53 LEU -3.94 1.82 1 54 HIS -0.16 2.54 1 55 ASP -4.47 2.79 1 57 ILE 0.78 -1.42 1 58 ALA -7.00 3.57 1 59 ASP 4.32 0.08 1 60 ILE -0.17 0.30 1 61 MET -1.51 -0.05 1 62 ILE -2.17 1.89 1 63 SER -4.25 2.79 1 64 PHE -3.63 2.26 1 66 ILE -4.80 3.40 1 67 LYS 3.98 -2.81 1 68 GLU 4.25 -0.70 1 75 PHE 0.64 -1.46 1 76 ASP -1.62 0.83 1 79 SER 0.85 -0.72 1 81 LEU 2.47 -1.14 1 82 LEU -0.51 1.26 1 83 ALA -4.17 2.89 1 84 HIS -3.21 2.29 1 85 ALA -6.48 4.23 1 86 PHE -2.76 2.00 1 92 TYR 4.06 -2.83 1 95 ASP 2.70 -0.92 1 96 ALA -5.13 3.62 1 97 HIS -9.91 5.71 1 98 PHE -3.21 2.43 1 99 ASP -0.18 -0.14 1 100 ASP -0.61 -0.21 1 101 ASP 4.42 -2.04 1 102 GLU -0.61 -2.87 1 103 THR 0.89 -1.04 1 104 TRP -2.93 1.53 1 105 THR -3.43 1.61 1 106 SER -0.79 0.14 1 107 SER -2.58 1.22 1 108 SER -0.50 0.19 1 109 LYS 0.36 -1.01 1 111 TYR -1.18 1.60 1 112 ASN -0.56 1.96 1 113 LEU 3.60 -0.51 1 114 PHE 4.95 -2.06 1 115 LEU 1.73 0.95 1 116 VAL 4.52 -0.86 1 117 ALA 4.12 -1.35 1 118 ALA 6.11 -2.02 1 119 HIS 4.11 -0.26 1 120 GLU 4.11 -1.88 1 121 PHE 1.63 -3.58 1 123 HIS 3.44 -0.82 1 125 LEU -1.17 1.16 1 127 LEU -0.08 -0.47 1 128 ASP -5.29 1.41 1 129 HIS 2.24 0.06 1 130 SER -2.40 0.55 1 131 LYS 0.55 -0.59 1 132 ASP -1.29 0.40 1 135 ALA -1.45 0.94 1 136 LEU 3.27 -0.32 1 138 PHE 0.77 0.97 1 140 ILE -2.84 1.79 1 141 TYR 1.23 -0.05 1 142 THR -1.52 1.00 1 143 TYR 0.26 0.57 1 144 THR -0.43 -0.07 1 146 LYS 0.39 -0.10 1 149 PHE 0.90 0.66 1 150 MET -3.73 1.77 1 151 LEU -1.02 1.24 1 153 ASP 3.61 0.14 1 154 ASP 1.88 2.73 1 155 ASP -0.22 2.54 1 156 VAL 5.87 -1.12 1 157 GLN 4.20 -1.28 1 159 ILE 0.19 -0.10 1 160 GLN 5.24 -2.54 1 161 SER 6.17 -2.70 1 162 LEU -0.83 2.21 1 163 TYR -1.40 2.38 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4679_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.91 _LACS_plot.Line_1_terminator_val_y_1 0.78 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.18 _LACS_plot.Line_2_terminator_val_x_2 6.17 _LACS_plot.Line_2_terminator_val_y_2 -0.36 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 115 LEU 1.73 -1.15 0 52 ARG -0.75 -1.00 0 26 MET -9.63 0.28 0 128 ASP -5.29 -0.60 0 97 HIS -9.91 1.20 0 10 TRP -0.39 -0.06 1 11 SER 0.42 0.18 1 12 LYS -3.54 0.43 1 13 MET -2.13 0.02 1 14 ASN -0.33 0.13 1 15 LEU -4.33 0.19 1 16 THR -6.82 1.22 1 17 TYR -6.86 1.09 1 18 ARG -4.34 0.20 1 19 ILE 1.58 0.00 1 20 VAL 4.95 -0.64 1 21 ASN -2.04 -0.03 1 22 TYR -2.70 -0.10 1 23 THR -2.30 0.37 1 25 ASP 1.14 -0.47 1 27 THR -0.84 0.09 1 28 HIS 4.39 -0.47 1 29 SER 4.25 -0.09 1 30 GLU 2.49 -0.33 1 31 VAL 5.57 -0.89 1 32 GLU 4.07 -0.34 1 33 LYS 3.39 -0.23 1 34 ALA 4.57 -0.12 1 35 PHE 3.49 0.06 1 36 LYS 4.69 -0.14 1 37 LYS 3.89 -0.24 1 38 ALA 2.98 -0.07 1 39 PHE 6.12 -0.40 1 40 LYS 2.42 0.30 1 41 VAL 4.54 -0.16 1 42 TRP -1.07 0.26 1 43 SER 3.69 -0.08 1 44 ASP 2.59 0.12 1 45 VAL -1.47 0.89 1 46 THR -1.94 1.06 1 48 LEU -1.16 -0.02 1 49 ASN -4.84 0.00 1 50 PHE -3.07 0.58 1 51 THR -1.92 0.09 1 53 LEU -3.94 0.34 1 54 HIS -0.16 -0.27 1 55 ASP -4.47 -0.02 1 57 ILE 0.78 -0.01 1 58 ALA -7.00 0.22 1 59 ASP 4.32 -0.23 1 60 ILE -0.17 0.00 1 61 MET -1.51 0.47 1 62 ILE -2.17 1.25 1 63 SER -4.25 0.70 1 64 PHE -3.63 0.92 1 66 ILE -4.80 0.64 1 67 LYS 3.98 -0.47 1 68 GLU 4.25 -0.32 1 75 PHE 0.64 0.17 1 76 ASP -1.62 0.10 1 79 SER 0.85 -0.91 1 81 LEU 2.47 -0.63 1 82 LEU -0.51 -0.04 1 83 ALA -4.17 0.22 1 84 HIS -3.21 0.41 1 85 ALA -6.48 0.76 1 86 PHE -2.76 -0.25 1 92 TYR 4.06 -0.04 1 95 ASP 2.70 -0.03 1 96 ALA -5.13 0.65 1 98 PHE -3.21 -0.40 1 99 ASP -0.18 -0.76 1 100 ASP -0.61 0.94 1 101 ASP 4.42 0.34 1 102 GLU -0.61 0.43 1 103 THR 0.89 -0.02 1 104 TRP -2.93 0.60 1 105 THR -3.43 0.61 1 106 SER -0.79 0.46 1 107 SER -2.58 0.48 1 108 SER -0.50 -0.45 1 109 LYS 0.36 -0.02 1 111 TYR -1.18 -0.50 1 112 ASN -0.56 0.22 1 113 LEU 3.60 0.00 1 114 PHE 4.95 -0.61 1 116 VAL 4.52 0.01 1 117 ALA 4.12 -0.78 1 118 ALA 6.11 -0.51 1 119 HIS 4.11 -0.13 1 120 GLU 4.11 -0.36 1 121 PHE 1.63 0.24 1 123 HIS 3.44 0.81 1 125 LEU -1.17 0.33 1 127 LEU -0.08 0.34 1 129 HIS 2.24 0.27 1 130 SER -2.40 -0.26 1 131 LYS 0.55 0.30 1 132 ASP -1.29 -0.18 1 135 ALA -1.45 0.29 1 136 LEU 3.27 0.20 1 137 MET 3.54 0.15 1 138 PHE 0.77 -0.00 1 140 ILE -2.84 0.47 1 141 TYR 1.23 0.37 1 142 THR -1.52 -0.09 1 143 TYR 0.26 -0.24 1 144 THR -0.43 -0.11 1 146 LYS 0.39 0.00 1 149 PHE 0.90 -0.31 1 150 MET -3.73 -0.11 1 151 LEU -1.02 -0.54 1 153 ASP 3.61 -0.31 1 154 ASP 1.88 -0.21 1 155 ASP -0.22 0.17 1 156 VAL 5.87 -0.54 1 157 GLN 4.20 -0.44 1 159 ILE 0.19 0.25 1 160 GLN 5.24 -0.11 1 161 SER 6.17 -0.20 1 162 LEU -0.83 -0.13 1 163 TYR -1.40 0.24 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4679_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.91 _LACS_plot.Line_1_terminator_val_y_1 -3.23 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.58 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.96 _LACS_plot.Line_2_terminator_val_x_2 6.17 _LACS_plot.Line_2_terminator_val_y_2 2.18 _LACS_plot.Y_axis_chem_shift_offset 0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 21 ASN -2.04 6.79 0 11 SER 0.42 -1.77 1 12 LYS -3.54 -3.10 1 13 MET -2.13 -1.88 1 14 ASN -0.33 -1.80 1 15 LEU -4.33 -0.33 1 16 THR -6.82 -0.48 1 17 TYR -6.86 -3.86 1 18 ARG -4.34 -2.77 1 19 ILE 1.58 -1.46 1 20 VAL 4.95 -0.79 1 22 TYR -2.70 -0.51 1 25 ASP 1.14 -0.74 1 26 MET -9.63 -1.51 1 28 HIS 4.39 3.69 1 29 SER 4.25 2.71 1 30 GLU 2.49 3.28 1 31 VAL 5.57 0.42 1 32 GLU 4.07 3.42 1 33 LYS 3.39 1.70 1 34 ALA 4.57 2.25 1 35 PHE 3.49 1.47 1 36 LYS 4.69 3.42 1 37 LYS 3.89 2.08 1 38 ALA 2.98 0.49 1 39 PHE 6.12 2.61 1 40 LYS 2.42 0.89 1 41 VAL 4.54 0.54 1 42 TRP -1.07 4.52 1 43 SER 3.69 2.10 1 44 ASP 2.59 1.71 1 45 VAL -1.47 -2.50 1 46 THR -1.94 0.64 1 48 LEU -1.16 -1.03 1 49 ASN -4.84 -3.09 1 50 PHE -3.07 -0.19 1 51 THR -1.92 -2.92 1 52 ARG -0.75 -1.03 1 54 HIS -0.16 -0.09 1 55 ASP -4.47 -1.63 1 57 ILE 0.78 -1.40 1 58 ALA -7.00 -0.83 1 59 ASP 4.32 1.12 1 60 ILE -0.17 -2.23 1 61 MET -1.51 0.44 1 62 ILE -2.17 -2.00 1 63 SER -4.25 -2.24 1 64 PHE -3.63 1.39 1 66 ILE -4.80 -1.98 1 67 LYS 3.98 1.06 1 68 GLU 4.25 -0.14 1 75 PHE 0.64 0.08 1 76 ASP -1.62 1.07 1 79 SER 0.85 -0.21 1 81 LEU 2.47 -0.29 1 82 LEU -0.51 -2.08 1 83 ALA -4.17 -2.84 1 84 HIS -3.21 -2.73 1 85 ALA -6.48 -1.24 1 92 TYR 4.06 -0.86 1 95 ASP 2.70 -3.02 1 96 ALA -5.13 -3.08 1 97 HIS -9.91 -0.46 1 98 PHE -3.21 -1.87 1 99 ASP -0.18 2.89 1 100 ASP -0.61 3.19 1 101 ASP 4.42 1.47 1 102 GLU -0.61 0.88 1 103 THR 0.89 -2.56 1 104 TRP -2.93 0.24 1 105 THR -3.43 -0.30 1 106 SER -0.79 0.33 1 107 SER -2.58 -1.83 1 108 SER -0.50 0.20 1 109 LYS 0.36 -1.46 1 111 TYR -1.18 -2.13 1 112 ASN -0.56 -0.15 1 113 LEU 3.60 -0.95 1 114 PHE 4.95 -0.84 1 115 LEU 1.73 1.24 1 116 VAL 4.52 2.28 1 117 ALA 4.12 -1.05 1 118 ALA 6.11 2.02 1 119 HIS 4.11 2.38 1 120 GLU 4.11 1.54 1 121 PHE 1.63 1.81 1 123 HIS 3.44 5.38 1 125 LEU -1.17 0.46 1 127 LEU -0.08 -2.20 1 128 ASP -5.29 -1.36 1 129 HIS 2.24 1.42 1 130 SER -2.40 0.45 1 131 LYS 0.55 -0.80 1 132 ASP -1.29 -0.83 1 135 ALA -1.45 -0.52 1 136 LEU 3.27 3.72 1 137 MET 3.54 1.37 1 138 PHE 0.77 2.48 1 140 ILE -2.84 -0.98 1 141 TYR 1.23 -1.42 1 142 THR -1.52 -2.56 1 143 TYR 0.26 -0.58 1 144 THR -0.43 -0.37 1 146 LYS 0.39 0.20 1 149 PHE 0.90 -1.76 1 150 MET -3.73 -2.50 1 151 LEU -1.02 -1.48 1 153 ASP 3.61 1.72 1 154 ASP 1.88 1.01 1 155 ASP -0.22 2.30 1 156 VAL 5.87 1.80 1 157 GLN 4.20 3.87 1 159 ILE 0.19 2.05 1 160 GLN 5.24 3.43 1 161 SER 6.17 0.42 1 162 LEU -0.83 0.08 1 163 TYR -1.40 -0.13 1 stop_ save_