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 bmr17532_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.41 _LACS_plot.Line_1_terminator_val_y_1 -2.65 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.63 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.35 _LACS_plot.Line_2_terminator_val_x_2 6.97 _LACS_plot.Line_2_terminator_val_y_2 5.53 _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 LYS 5.18 1.34 0 118 GLU -6.41 -2.59 0 41 TYR -5.13 -1.16 0 15 LYS 0.74 0.52 1 16 ASP -0.24 -0.15 1 17 ARG -0.41 -0.53 1 18 SER -1.49 -0.68 1 19 LEU 1.56 2.26 1 22 GLU 4.83 3.20 1 23 GLU 1.75 2.21 1 24 ILE 5.51 3.63 1 25 GLU 3.69 2.65 1 26 GLU 3.28 2.87 1 27 LEU 3.82 3.01 1 28 ARG 4.87 3.92 1 29 GLU 3.01 2.76 1 30 ALA 3.24 2.91 1 31 PHE 3.61 4.43 1 32 ARG 3.88 3.39 1 33 GLU 2.83 1.99 1 34 PHE 1.86 2.02 1 35 ASP 0.44 -1.67 1 36 LYS 3.96 3.20 1 37 ASP 0.57 -1.36 1 39 ASP -0.78 -0.77 1 42 ILE -3.01 -1.08 1 43 ASN -1.97 -0.91 1 45 ARG 4.23 2.78 1 46 ASP 1.15 1.92 1 47 LEU 4.42 3.93 1 49 ASN 3.72 2.71 1 51 MET 5.27 5.52 1 52 ARG 4.16 3.55 1 53 THR 5.23 4.54 1 54 MET 0.35 0.49 1 56 TYR -0.01 1.44 1 59 THR -2.10 -1.05 1 60 GLU 4.09 3.57 1 61 MET 3.79 2.86 1 62 GLU 2.21 2.57 1 63 LEU 3.72 2.66 1 64 ILE 5.10 4.24 1 65 GLU 3.43 3.16 1 66 LEU 2.84 2.88 1 67 SER 4.42 3.58 1 68 GLN 4.46 3.33 1 69 GLN 4.20 3.38 1 70 ILE 4.01 3.26 1 71 ASN 3.92 3.00 1 72 MET 2.23 2.44 1 73 ASN 0.23 1.41 1 74 LEU -1.05 -0.46 1 77 HIS -4.34 -1.09 1 78 VAL -3.56 -1.71 1 79 ASP -2.44 -2.43 1 80 PHE 5.48 4.44 1 81 ASP 4.51 3.46 1 82 ASP 3.08 3.10 1 83 PHE 3.29 3.45 1 84 VAL 6.24 4.89 1 85 GLU 2.97 2.56 1 86 LEU 1.22 1.86 1 87 MET -0.11 -0.95 1 90 LYS 2.76 1.42 1 91 LEU 2.74 2.13 1 92 LEU 1.27 0.81 1 93 ALA 0.63 0.78 1 94 GLU 0.25 0.50 1 95 THR -0.26 0.05 1 96 ALA 0.37 0.71 1 97 ASP 0.39 0.54 1 98 MET 0.46 0.58 1 99 ILE 0.83 0.60 1 101 VAL 4.42 3.52 1 102 LYS 4.22 3.58 1 103 GLU 4.06 3.35 1 104 LEU 3.30 3.25 1 105 ARG 5.20 3.69 1 106 ASP 4.24 3.29 1 107 ALA 3.34 2.47 1 108 PHE 3.68 3.60 1 109 ARG 3.69 2.87 1 110 GLU 2.37 1.77 1 111 PHE 0.67 0.33 1 112 ASP 0.15 -1.88 1 113 THR 4.30 3.34 1 114 ASN 0.41 -1.11 1 116 ASP -0.16 -0.83 1 119 ILE -0.51 -1.32 1 120 SER -3.34 -1.35 1 121 THR 6.97 5.14 1 122 SER 5.50 4.04 1 123 GLU 2.50 2.11 1 124 LEU 3.92 2.87 1 125 ARG 5.06 4.48 1 126 GLU 2.40 2.11 1 127 ALA 3.78 2.47 1 128 MET 3.24 2.27 1 129 ARG 4.41 3.32 1 130 LYS 3.36 2.93 1 131 LEU 1.13 2.08 1 132 LEU -0.23 0.27 1 135 GLN 0.70 0.69 1 136 VAL -0.51 -0.37 1 141 ILE 4.14 2.08 1 142 GLU 3.56 2.78 1 143 GLU 2.90 2.63 1 144 ILE 4.19 3.85 1 145 ILE 4.60 3.28 1 146 ARG 4.01 3.24 1 147 ASP 0.96 1.66 1 148 VAL 0.92 0.86 1 149 ASP 0.43 -1.47 1 150 LEU 2.19 2.34 1 151 ASN 0.14 -1.42 1 153 ASP -0.29 -0.78 1 155 ARG -4.27 -2.15 1 156 VAL -0.91 -0.90 1 157 ASP -2.36 -1.55 1 158 PHE 5.84 4.88 1 159 GLU 4.68 3.66 1 160 GLU 2.49 2.27 1 161 PHE 3.63 3.68 1 162 VAL 6.21 4.72 1 163 ARG 4.70 3.25 1 164 MET 3.44 3.27 1 165 MET 0.18 -0.60 1 166 SER -0.15 0.22 1 167 ARG 1.43 1.96 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17532_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.41 _LACS_plot.Line_1_terminator_val_y_1 3.76 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.37 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.65 _LACS_plot.Line_2_terminator_val_x_2 6.97 _LACS_plot.Line_2_terminator_val_y_2 -1.44 _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 LYS 5.18 -3.84 0 118 GLU -6.41 3.82 0 41 TYR -5.13 3.97 0 15 LYS 0.74 -0.22 1 16 ASP -0.24 0.09 1 17 ARG -0.41 -0.12 1 18 SER -1.49 0.81 1 19 LEU 1.56 0.70 1 22 GLU 4.83 -1.63 1 23 GLU 1.75 0.46 1 24 ILE 5.51 -1.88 1 25 GLU 3.69 -1.04 1 26 GLU 3.28 -0.41 1 27 LEU 3.82 -0.81 1 28 ARG 4.87 -0.95 1 29 GLU 3.01 -0.25 1 30 ALA 3.24 -0.33 1 31 PHE 3.61 0.82 1 32 ARG 3.88 -0.49 1 33 GLU 2.83 -0.84 1 34 PHE 1.86 0.16 1 35 ASP 0.44 -2.11 1 36 LYS 3.96 -0.76 1 37 ASP 0.57 -1.93 1 39 ASP -0.78 0.01 1 42 ILE -3.01 1.93 1 43 ASN -1.97 1.06 1 45 ARG 4.23 -1.45 1 46 ASP 1.15 0.77 1 47 LEU 4.42 -0.49 1 49 ASN 3.72 -1.01 1 51 MET 5.27 0.25 1 52 ARG 4.16 -0.61 1 53 THR 5.23 -0.69 1 54 MET 0.35 0.14 1 56 TYR -0.01 1.45 1 59 THR -2.10 1.05 1 60 GLU 4.09 -0.52 1 61 MET 3.79 -0.93 1 62 GLU 2.21 0.36 1 63 LEU 3.72 -1.06 1 64 ILE 5.10 -0.86 1 65 GLU 3.43 -0.27 1 66 LEU 2.84 0.04 1 67 SER 4.42 -0.84 1 68 GLN 4.46 -1.13 1 69 GLN 4.20 -0.82 1 70 ILE 4.01 -0.75 1 71 ASN 3.92 -0.92 1 72 MET 2.23 0.21 1 73 ASN 0.23 1.18 1 74 LEU -1.05 0.59 1 77 HIS -4.34 3.25 1 78 VAL -3.56 1.85 1 79 ASP -2.44 0.01 1 80 PHE 5.48 -1.04 1 81 ASP 4.51 -1.05 1 82 ASP 3.08 0.02 1 83 PHE 3.29 0.16 1 84 VAL 6.24 -1.35 1 85 GLU 2.97 -0.41 1 86 LEU 1.22 0.64 1 87 MET -0.11 -0.84 1 90 LYS 2.76 -1.34 1 91 LEU 2.74 -0.61 1 92 LEU 1.27 -0.46 1 93 ALA 0.63 0.15 1 94 GLU 0.25 0.25 1 95 THR -0.26 0.31 1 96 ALA 0.37 0.34 1 97 ASP 0.39 0.15 1 98 MET 0.46 0.12 1 99 ILE 0.83 -0.23 1 101 VAL 4.42 -0.90 1 102 LYS 4.22 -0.64 1 103 GLU 4.06 -0.71 1 104 LEU 3.30 -0.05 1 105 ARG 5.20 -1.51 1 106 ASP 4.24 -0.95 1 107 ALA 3.34 -0.87 1 108 PHE 3.68 -0.08 1 109 ARG 3.69 -0.82 1 110 GLU 2.37 -0.60 1 111 PHE 0.67 -0.34 1 112 ASP 0.15 -2.03 1 113 THR 4.30 -0.96 1 114 ASN 0.41 -1.52 1 116 ASP -0.16 -0.67 1 119 ILE -0.51 -0.81 1 120 SER -3.34 1.99 1 121 THR 6.97 -1.83 1 122 SER 5.50 -1.46 1 123 GLU 2.50 -0.39 1 124 LEU 3.92 -1.05 1 125 ARG 5.06 -0.58 1 126 GLU 2.40 -0.29 1 127 ALA 3.78 -1.31 1 128 MET 3.24 -0.97 1 129 ARG 4.41 -1.09 1 130 LYS 3.36 -0.43 1 131 LEU 1.13 0.95 1 132 LEU -0.23 0.50 1 135 GLN 0.70 -0.01 1 136 VAL -0.51 0.14 1 141 ILE 4.14 -2.06 1 142 GLU 3.56 -0.78 1 143 GLU 2.90 -0.27 1 144 ILE 4.19 -0.34 1 145 ILE 4.60 -1.32 1 146 ARG 4.01 -0.77 1 147 ASP 0.96 0.70 1 148 VAL 0.92 -0.06 1 149 ASP 0.43 -1.90 1 150 LEU 2.19 0.15 1 151 ASN 0.14 -1.56 1 153 ASP -0.29 -0.49 1 155 ARG -4.27 2.12 1 156 VAL -0.91 0.01 1 157 ASP -2.36 0.81 1 158 PHE 5.84 -0.96 1 159 GLU 4.68 -1.02 1 160 GLU 2.49 -0.22 1 161 PHE 3.63 0.05 1 162 VAL 6.21 -1.49 1 163 ARG 4.70 -1.45 1 164 MET 3.44 -0.17 1 165 MET 0.18 -0.78 1 166 SER -0.15 0.37 1 167 ARG 1.43 0.53 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17532_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.41 _LACS_plot.Line_1_terminator_val_y_1 0.70 _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 0.29 _LACS_plot.Line_2_terminator_val_x_2 6.97 _LACS_plot.Line_2_terminator_val_y_2 -0.65 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 108 PHE 3.68 -1.53 0 15 LYS 0.74 -0.01 1 16 ASP -0.24 -0.03 1 17 ARG -0.41 0.07 1 18 SER -1.49 0.08 1 19 LEU 1.56 -0.31 1 22 GLU 4.83 -0.13 1 23 GLU 1.75 -0.07 1 24 ILE 5.51 -0.36 1 25 GLU 3.69 -0.12 1 26 GLU 3.28 -0.12 1 27 LEU 3.82 0.14 1 28 ARG 4.87 -0.62 1 29 GLU 3.01 -0.28 1 30 ALA 3.24 0.03 1 31 PHE 3.61 -0.97 1 32 ARG 3.88 -0.36 1 33 GLU 2.83 -0.46 1 34 PHE 1.86 -0.36 1 35 ASP 0.44 0.43 1 36 LYS 3.96 -0.34 1 37 ASP 0.57 -0.10 1 38 LYS 5.18 -0.37 1 39 ASP -0.78 0.12 1 41 TYR -5.13 1.09 1 42 ILE -3.01 0.69 1 43 ASN -1.97 0.33 1 46 ASP 1.15 0.06 1 47 LEU 4.42 -0.55 1 49 ASN 3.72 -0.24 1 51 MET 5.27 -0.49 1 52 ARG 4.16 0.10 1 53 THR 5.23 -0.15 1 54 MET 0.35 0.15 1 56 TYR -0.01 -0.28 1 59 THR -2.10 0.15 1 60 GLU 4.09 -0.30 1 61 MET 3.79 -0.18 1 62 GLU 2.21 -0.22 1 63 LEU 3.72 -0.20 1 64 ILE 5.10 -0.40 1 65 GLU 3.43 -0.26 1 66 LEU 2.84 -0.16 1 67 SER 4.42 -0.22 1 68 GLN 4.46 -0.14 1 69 GLN 4.20 -0.21 1 70 ILE 4.01 -0.42 1 71 ASN 3.92 -0.38 1 72 MET 2.23 -0.07 1 73 ASN 0.23 0.26 1 74 LEU -1.05 0.51 1 77 HIS -4.34 0.47 1 78 VAL -3.56 0.92 1 79 ASP -2.44 0.87 1 80 PHE 5.48 -1.27 1 81 ASP 4.51 -0.59 1 82 ASP 3.08 -0.26 1 83 PHE 3.29 -0.52 1 84 VAL 6.24 -1.13 1 85 GLU 2.97 -0.40 1 86 LEU 1.22 -0.20 1 87 MET -0.11 -0.13 1 90 LYS 2.76 -0.29 1 91 LEU 2.74 -0.22 1 92 LEU 1.27 -0.14 1 93 ALA 0.63 -0.04 1 94 GLU 0.25 0.07 1 95 THR -0.26 0.07 1 96 ALA 0.37 -0.02 1 98 MET 0.46 0.02 1 99 ILE 0.83 -0.01 1 101 VAL 4.42 -0.18 1 102 LYS 4.22 -0.30 1 103 GLU 4.06 -0.11 1 104 LEU 3.30 0.00 1 105 ARG 5.20 -0.31 1 106 ASP 4.24 -0.20 1 107 ALA 3.34 -0.19 1 109 ARG 3.69 -0.36 1 110 GLU 2.37 -0.39 1 111 PHE 0.67 -0.10 1 112 ASP 0.15 -0.07 1 113 THR 4.30 -0.33 1 114 ASN 0.41 0.13 1 116 ASP -0.16 -0.07 1 118 GLU -6.41 0.57 1 119 ILE -0.51 0.79 1 120 SER -3.34 0.41 1 121 THR 6.97 -0.51 1 122 SER 5.50 -0.23 1 123 GLU 2.50 -0.12 1 124 LEU 3.92 -0.35 1 125 ARG 5.06 -0.64 1 126 GLU 2.40 -0.17 1 127 ALA 3.78 -0.45 1 128 MET 3.24 -0.27 1 129 ARG 4.41 -0.59 1 130 LYS 3.36 -0.25 1 131 LEU 1.13 -0.09 1 132 LEU -0.23 0.08 1 135 GLN 0.70 -0.01 1 136 VAL -0.51 0.13 1 141 ILE 4.14 -0.40 1 142 GLU 3.56 -0.39 1 143 GLU 2.90 -0.31 1 144 ILE 4.19 -0.36 1 145 ILE 4.60 -0.47 1 146 ARG 4.01 -0.25 1 147 ASP 0.96 -0.06 1 148 VAL 0.92 0.01 1 149 ASP 0.43 0.10 1 150 LEU 2.19 -0.21 1 151 ASN 0.14 0.12 1 153 ASP -0.29 -0.07 1 155 ARG -4.27 0.58 1 156 VAL -0.91 0.99 1 157 ASP -2.36 0.53 1 158 PHE 5.84 -0.89 1 159 GLU 4.68 -0.59 1 160 GLU 2.49 -0.31 1 161 PHE 3.63 -0.58 1 162 VAL 6.21 -1.09 1 163 ARG 4.70 -0.37 1 164 MET 3.44 -0.47 1 165 MET 0.18 -0.06 1 166 SER -0.15 0.12 1 167 ARG 1.43 -0.16 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17532_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.41 _LACS_plot.Line_1_terminator_val_y_1 -1.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.14 _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 6.24 _LACS_plot.Line_2_terminator_val_y_2 2.55 _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 38 LYS 5.18 -0.82 0 118 GLU -6.41 -2.23 0 41 TYR -5.13 0.76 0 15 LYS 0.74 -0.49 1 16 ASP -0.24 -0.67 1 17 ARG -0.41 -1.43 1 18 SER -1.49 -0.11 1 19 LEU 1.56 1.81 1 22 GLU 4.83 2.89 1 23 GLU 1.75 2.18 1 24 ILE 5.51 2.02 1 25 GLU 3.69 2.32 1 26 GLU 3.28 3.60 1 27 LEU 3.82 1.15 1 28 ARG 4.87 2.36 1 29 GLU 3.01 2.44 1 30 ALA 3.24 0.98 1 31 PHE 3.61 1.72 1 32 ARG 3.88 2.72 1 33 GLU 2.83 0.60 1 34 PHE 1.86 0.05 1 35 ASP 0.44 2.16 1 36 LYS 3.96 0.74 1 37 ASP 0.57 -0.93 1 39 ASP -0.78 0.85 1 42 ILE -3.01 -1.60 1 43 ASN -1.97 0.92 1 45 ARG 4.23 1.81 1 47 LEU 4.42 0.88 1 49 ASN 3.72 2.29 1 51 MET 5.27 1.81 1 52 ARG 4.16 4.76 1 53 THR 5.23 0.87 1 54 MET 0.35 -0.52 1 59 THR -2.10 0.51 1 60 GLU 4.09 2.79 1 61 MET 3.79 2.14 1 62 GLU 2.21 2.71 1 63 LEU 3.72 2.51 1 64 ILE 5.10 2.35 1 65 GLU 3.43 2.98 1 66 LEU 2.84 1.18 1 67 SER 4.42 1.50 1 68 GLN 4.46 2.26 1 69 GLN 4.20 2.71 1 70 ILE 4.01 2.79 1 71 ASN 3.92 1.67 1 72 MET 2.23 1.34 1 73 ASN 0.23 1.05 1 74 LEU -1.05 0.35 1 77 HIS -4.34 -1.59 1 78 VAL -3.56 -0.95 1 79 ASP -2.44 0.10 1 80 PHE 5.48 0.61 1 81 ASP 4.51 3.22 1 82 ASP 3.08 2.01 1 83 PHE 3.29 0.89 1 84 VAL 6.24 2.38 1 85 GLU 2.97 1.82 1 86 LEU 1.22 0.87 1 87 MET -0.11 2.29 1 90 LYS 2.76 1.42 1 91 LEU 2.74 1.56 1 92 LEU 1.27 -0.19 1 93 ALA 0.63 -0.40 1 94 GLU 0.25 0.30 1 95 THR -0.26 -0.04 1 96 ALA 0.37 -0.32 1 97 ASP 0.39 -0.07 1 98 MET 0.46 -0.10 1 99 ILE 0.83 -0.42 1 101 VAL 4.42 0.99 1 102 LYS 4.22 1.69 1 103 GLU 4.06 3.38 1 104 LEU 3.30 1.47 1 105 ARG 5.20 2.59 1 106 ASP 4.24 2.35 1 107 ALA 3.34 0.59 1 108 PHE 3.68 1.09 1 109 ARG 3.69 2.02 1 110 GLU 2.37 1.53 1 111 PHE 0.67 0.75 1 112 ASP 0.15 0.68 1 113 THR 4.30 1.69 1 114 ASN 0.41 1.45 1 116 ASP -0.16 1.27 1 119 ILE -0.51 -0.83 1 120 SER -3.34 1.02 1 122 SER 5.50 2.62 1 123 GLU 2.50 3.86 1 124 LEU 3.92 0.21 1 125 ARG 5.06 2.04 1 126 GLU 2.40 2.18 1 127 ALA 3.78 2.21 1 128 MET 3.24 1.86 1 130 LYS 3.36 1.82 1 131 LEU 1.13 0.76 1 132 LEU -0.23 0.80 1 135 GLN 0.70 -0.08 1 136 VAL -0.51 -0.47 1 141 ILE 4.14 0.57 1 142 GLU 3.56 2.61 1 143 GLU 2.90 1.86 1 144 ILE 4.19 1.69 1 145 ILE 4.60 0.78 1 146 ARG 4.01 1.47 1 147 ASP 0.96 0.97 1 148 VAL 0.92 0.31 1 149 ASP 0.43 0.59 1 150 LEU 2.19 0.83 1 151 ASN 0.14 1.46 1 153 ASP -0.29 1.47 1 155 ARG -4.27 -1.80 1 156 VAL -0.91 -0.68 1 157 ASP -2.36 -0.08 1 158 PHE 5.84 0.75 1 159 GLU 4.68 3.83 1 160 GLU 2.49 2.94 1 161 PHE 3.63 0.63 1 162 VAL 6.21 2.82 1 163 ARG 4.70 2.30 1 164 MET 3.44 0.74 1 165 MET 0.18 0.31 1 166 SER -0.15 -1.43 1 stop_ save_