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 bmr18037_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.81 _LACS_plot.Line_1_terminator_val_y_1 -3.40 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.04 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.86 _LACS_plot.Line_2_terminator_val_x_2 7.13 _LACS_plot.Line_2_terminator_val_y_2 4.93 _LACS_plot.Y_axis_chem_shift_offset -0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 114 TYR -8.81 1.31 0 10 LYS -3.64 -1.96 1 11 GLN 3.89 2.50 1 13 ASP 0.54 1.39 1 14 THR -5.53 -2.59 1 15 LEU 4.37 3.81 1 16 ASN 3.26 2.84 1 18 ILE 4.86 4.50 1 19 ALA 4.16 2.97 1 20 ALA 3.31 2.20 1 21 ASP 4.72 3.76 1 22 PHE 2.61 1.90 1 23 ARG 3.29 -0.34 1 24 ILE -5.57 -2.05 1 25 SER -2.95 -1.66 1 26 THR 6.36 4.25 1 27 ALA 3.89 2.83 1 28 ALA 3.18 2.25 1 29 LEU 3.13 3.13 1 30 LEU 2.96 2.55 1 31 GLN 3.95 2.88 1 32 ALA -0.57 0.05 1 33 ASN -3.56 -0.60 1 35 SER 3.59 2.26 1 36 LEU 1.90 0.98 1 37 GLN 3.27 2.46 1 38 ALA -0.20 -0.13 1 40 LEU -2.33 -0.39 1 41 THR -2.19 -0.84 1 42 ALA 2.87 1.27 1 44 GLN -0.58 0.29 1 45 SER -0.77 -0.31 1 46 ILE -4.82 -1.96 1 47 VAL -2.49 -1.90 1 48 ILE -1.28 -4.75 1 51 LEU -5.05 -2.23 1 53 ASP -1.68 -0.30 1 55 TYR 4.72 2.57 1 56 THR 0.31 0.37 1 57 ILE -2.29 -0.71 1 59 TYR -3.38 -0.35 1 60 HIS -3.72 0.93 1 61 ILE -2.15 -1.22 1 62 ALA -4.99 -2.58 1 63 VAL -2.74 -1.34 1 64 SER -2.74 -3.53 1 65 ILE 4.58 3.56 1 67 ALA -0.50 -0.59 1 68 LYS 7.13 1.61 1 69 THR -6.23 -2.46 1 70 LEU -3.48 0.14 1 71 THR -0.51 0.32 1 72 LEU -4.48 -1.48 1 73 SER -2.72 -0.48 1 74 LEU -2.97 -1.22 1 75 ASN 3.85 2.22 1 76 ASN 2.66 1.61 1 77 ARG -2.39 -1.28 1 78 VAL 3.96 3.05 1 79 MET -0.99 1.14 1 80 LYS -5.39 -0.90 1 81 THR -0.71 0.00 1 82 TYR -4.15 -1.37 1 84 ILE -5.22 -1.77 1 85 ALA -4.71 -1.72 1 89 ILE 3.90 2.90 1 97 GLU -2.67 -1.54 1 98 PHE -7.41 -2.63 1 99 TYR -5.54 -2.32 1 100 ILE -0.04 -1.11 1 101 ILE -0.04 -0.22 1 102 ASN -1.26 -0.87 1 103 ARG -2.98 -0.92 1 104 GLN -3.62 -0.88 1 105 ARG 0.11 0.12 1 106 ASN 3.01 2.51 1 111 PHE -1.74 -2.09 1 113 ALA -0.39 1.31 1 115 TRP -2.77 -0.38 1 116 LEU -1.69 -1.37 1 117 SER 1.75 1.82 1 118 LEU -5.44 -2.40 1 119 SER 2.85 -0.11 1 125 ILE -3.99 -1.89 1 126 HIS -3.31 -0.64 1 128 THR -0.17 -0.50 1 129 ASN 0.06 -0.84 1 130 ASN -0.85 -1.10 1 132 ALA 2.19 1.43 1 133 SER -0.02 1.10 1 134 ILE 5.44 0.08 1 145 MET -7.13 -1.26 1 146 HIS 0.95 3.10 1 147 ASN 3.76 3.05 1 148 LYS 4.44 3.28 1 149 ASP 2.27 2.30 1 150 VAL 3.93 2.24 1 151 ILE 5.07 4.83 1 152 GLU 2.62 3.08 1 153 LEU 3.37 3.53 1 154 ALA 3.88 1.85 1 155 SER 2.53 1.98 1 156 ILE 0.34 2.17 1 157 VAL 0.25 -1.37 1 159 ASN 3.93 1.51 1 161 THR 3.72 3.99 1 162 ARG -0.66 1.48 1 163 VAL -3.62 -2.04 1 164 THR -0.29 -0.01 1 165 ILE 0.83 0.38 1 166 ASN -4.90 -1.25 1 167 ARG 3.14 2.94 1 169 SER -0.41 -0.21 1 171 HIS 0.85 2.37 1 172 HIS -0.37 1.26 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18037_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.81 _LACS_plot.Line_1_terminator_val_y_1 5.41 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.96 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.14 _LACS_plot.Line_2_terminator_val_x_2 7.13 _LACS_plot.Line_2_terminator_val_y_2 -2.20 _LACS_plot.Y_axis_chem_shift_offset -0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 114 TYR -8.81 10.12 0 10 LYS -3.64 1.68 1 11 GLN 3.89 -1.39 1 13 ASP 0.54 0.85 1 14 THR -5.53 2.94 1 15 LEU 4.37 -0.56 1 16 ASN 3.26 -0.42 1 18 ILE 4.86 -0.36 1 19 ALA 4.16 -1.19 1 20 ALA 3.31 -1.11 1 21 ASP 4.72 -0.96 1 22 PHE 2.61 -0.71 1 23 ARG 3.29 -3.63 1 24 ILE -5.57 3.52 1 25 SER -2.95 1.29 1 26 THR 6.36 -2.11 1 27 ALA 3.89 -1.06 1 28 ALA 3.18 -0.93 1 29 LEU 3.13 0.00 1 30 LEU 2.96 -0.41 1 31 GLN 3.95 -1.07 1 32 ALA -0.57 0.62 1 33 ASN -3.56 2.96 1 35 SER 3.59 -1.33 1 36 LEU 1.90 -0.92 1 37 GLN 3.27 -0.81 1 38 ALA -0.20 0.07 1 40 LEU -2.33 1.94 1 41 THR -2.19 1.35 1 42 ALA 2.87 -1.60 1 44 GLN -0.58 0.87 1 45 SER -0.77 0.46 1 46 ILE -4.82 2.86 1 47 VAL -2.49 0.59 1 48 ILE -1.28 -3.47 1 51 LEU -5.05 2.82 1 53 ASP -1.68 1.38 1 55 TYR 4.72 -2.15 1 56 THR 0.31 0.06 1 57 ILE -2.29 1.58 1 59 TYR -3.38 3.03 1 60 HIS -3.72 4.65 1 61 ILE -2.15 0.93 1 62 ALA -4.99 2.41 1 63 VAL -2.74 1.40 1 64 SER -2.74 -0.79 1 65 ILE 4.58 -1.02 1 67 ALA -0.50 -0.09 1 68 LYS 7.13 -5.52 1 69 THR -6.23 3.77 1 70 LEU -3.48 3.62 1 71 THR -0.51 0.83 1 72 LEU -4.48 3.00 1 73 SER -2.72 2.24 1 74 LEU -2.97 1.75 1 75 ASN 3.85 -1.63 1 76 ASN 2.66 -1.05 1 77 ARG -2.39 1.11 1 78 VAL 3.96 -0.91 1 79 MET -0.99 2.13 1 80 LYS -5.39 4.49 1 81 THR -0.71 0.71 1 82 TYR -4.15 2.78 1 84 ILE -5.22 3.45 1 85 ALA -4.71 2.99 1 89 ILE 3.90 -1.00 1 97 GLU -2.67 1.13 1 98 PHE -7.41 4.78 1 99 TYR -5.54 3.22 1 100 ILE -0.04 -1.07 1 101 ILE -0.04 -0.18 1 102 ASN -1.26 0.39 1 103 ARG -2.98 2.06 1 104 GLN -3.62 2.74 1 105 ARG 0.11 0.01 1 106 ASN 3.01 -0.50 1 111 PHE -1.74 -0.35 1 113 ALA -0.39 1.70 1 115 TRP -2.77 2.39 1 116 LEU -1.69 0.32 1 117 SER 1.75 0.07 1 118 LEU -5.44 3.04 1 119 SER 2.85 -2.96 1 125 ILE -3.99 2.10 1 126 HIS -3.31 2.67 1 128 THR -0.17 -0.33 1 129 ASN 0.06 -0.90 1 130 ASN -0.85 -0.25 1 132 ALA 2.19 -0.76 1 133 SER -0.02 1.12 1 134 ILE 5.44 -5.36 1 145 MET -7.13 5.87 1 146 HIS 0.95 2.15 1 147 ASN 3.76 -0.71 1 148 LYS 4.44 -1.16 1 149 ASP 2.27 0.03 1 150 VAL 3.93 -1.69 1 151 ILE 5.07 -0.24 1 152 GLU 2.62 0.46 1 153 LEU 3.37 0.16 1 154 ALA 3.88 -2.03 1 155 SER 2.53 -0.55 1 156 ILE 0.34 1.83 1 157 VAL 0.25 -1.62 1 159 ASN 3.93 -2.42 1 161 THR 3.72 0.27 1 162 ARG -0.66 2.14 1 163 VAL -3.62 1.58 1 164 THR -0.29 0.28 1 165 ILE 0.83 -0.45 1 166 ASN -4.90 3.65 1 167 ARG 3.14 -0.20 1 169 SER -0.41 0.20 1 171 HIS 0.85 1.52 1 172 HIS -0.37 1.63 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18037_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.81 _LACS_plot.Line_1_terminator_val_y_1 1.10 _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 0.32 _LACS_plot.Line_2_terminator_val_x_2 7.13 _LACS_plot.Line_2_terminator_val_y_2 -0.79 _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 105 ARG 0.11 -1.43 0 10 LYS -3.64 0.29 1 11 GLN 3.89 -0.32 1 13 ASP 0.54 -0.07 1 14 THR -5.53 0.29 1 15 LEU 4.37 -0.46 1 16 ASN 3.26 -0.49 1 18 ILE 4.86 -0.34 1 19 ALA 4.16 -0.49 1 20 ALA 3.31 -0.18 1 21 ASP 4.72 -0.58 1 22 PHE 2.61 -0.45 1 23 ARG 3.29 -0.44 1 24 ILE -5.57 0.66 1 25 SER -2.95 0.22 1 26 THR 6.36 -0.59 1 27 ALA 3.89 -0.26 1 28 ALA 3.18 -0.24 1 29 LEU 3.13 -0.51 1 30 LEU 2.96 -0.33 1 31 GLN 3.95 -0.41 1 32 ALA -0.57 -0.06 1 33 ASN -3.56 0.19 1 35 SER 3.59 -0.12 1 36 LEU 1.90 0.05 1 37 GLN 3.27 -0.28 1 38 ALA -0.20 0.10 1 40 LEU -2.33 0.40 1 41 THR -2.19 0.09 1 42 ALA 2.87 -0.66 1 44 GLN -0.58 -0.01 1 45 SER -0.77 0.77 1 46 ILE -4.82 0.49 1 47 VAL -2.49 0.73 1 48 ILE -1.28 -0.05 1 51 LEU -5.05 0.28 1 53 ASP -1.68 -0.59 1 55 TYR 4.72 -0.10 1 56 THR 0.31 0.03 1 57 ILE -2.29 0.12 1 59 TYR -3.38 1.03 1 60 HIS -3.72 0.15 1 61 ILE -2.15 0.71 1 62 ALA -4.99 1.07 1 63 VAL -2.74 0.63 1 64 SER -2.74 0.62 1 65 ILE 4.58 -0.48 1 67 ALA -0.50 0.04 1 68 LYS 7.13 -0.85 1 69 THR -6.23 0.95 1 70 LEU -3.48 0.63 1 71 THR -0.51 0.68 1 72 LEU -4.48 0.66 1 73 SER -2.72 0.86 1 74 LEU -2.97 0.29 1 75 ASN 3.85 -0.37 1 76 ASN 2.66 -0.41 1 77 ARG -2.39 0.31 1 78 VAL 3.96 -0.44 1 79 MET -0.99 0.14 1 80 LYS -5.39 0.07 1 81 THR -0.71 0.54 1 82 TYR -4.15 0.26 1 84 ILE -5.22 1.25 1 85 ALA -4.71 1.09 1 97 GLU -2.67 0.46 1 98 PHE -7.41 -0.17 1 99 TYR -5.54 0.87 1 100 ILE -0.04 0.43 1 101 ILE -0.04 0.28 1 102 ASN -1.26 -0.08 1 103 ARG -2.98 1.42 1 104 GLN -3.62 0.31 1 106 ASN 3.01 -0.76 1 111 PHE -1.74 -0.06 1 113 ALA -0.39 -0.05 1 114 TYR -8.81 0.13 1 115 TRP -2.77 0.48 1 116 LEU -1.69 0.70 1 117 SER 1.75 -0.03 1 118 LEU -5.44 0.94 1 125 ILE -3.99 0.52 1 126 HIS -3.31 1.02 1 128 THR -0.17 0.72 1 129 ASN 0.06 0.25 1 130 ASN -0.85 0.15 1 132 ALA 2.19 -0.07 1 133 SER -0.02 -0.33 1 134 ILE 5.44 -0.70 1 145 MET -7.13 0.09 1 146 HIS 0.95 -0.26 1 147 ASN 3.76 0.08 1 148 LYS 4.44 -0.30 1 149 ASP 2.27 -0.21 1 150 VAL 3.93 -0.27 1 151 ILE 5.07 -0.65 1 152 GLU 2.62 -0.45 1 153 LEU 3.37 -0.60 1 154 ALA 3.88 -0.82 1 155 SER 2.53 -0.33 1 156 ILE 0.34 -0.32 1 157 VAL 0.25 -0.35 1 159 ASN 3.93 -0.50 1 161 THR 3.72 -0.33 1 162 ARG -0.66 0.09 1 163 VAL -3.62 0.57 1 164 THR -0.29 0.61 1 165 ILE 0.83 0.57 1 166 ASN -4.90 0.47 1 167 ARG 3.14 -0.20 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18037_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.81 _LACS_plot.Line_1_terminator_val_y_1 -2.86 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.91 _LACS_plot.Line_2_terminator_val_x_2 7.13 _LACS_plot.Line_2_terminator_val_y_2 1.66 _LACS_plot.Y_axis_chem_shift_offset 0.34 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 146 HIS 0.95 5.18 0 10 LYS -3.64 0.58 1 11 GLN 3.89 0.86 1 13 ASP 0.54 -0.01 1 14 THR -5.53 -0.42 1 15 LEU 4.37 0.34 1 16 ASN 3.26 3.02 1 18 ILE 4.86 1.70 1 19 ALA 4.16 1.38 1 20 ALA 3.31 3.76 1 21 ASP 4.72 0.89 1 22 PHE 2.61 -3.06 1 23 ARG 3.29 -0.78 1 24 ILE -5.57 -2.25 1 25 SER -2.95 1.53 1 26 THR 6.36 2.55 1 27 ALA 3.89 2.48 1 28 ALA 3.18 3.37 1 29 LEU 3.13 1.51 1 30 LEU 2.96 2.06 1 31 GLN 3.95 1.58 1 32 ALA -0.57 -1.49 1 35 SER 3.59 2.07 1 36 LEU 1.90 0.88 1 37 GLN 3.27 0.51 1 38 ALA -0.20 -0.44 1 40 LEU -2.33 -0.79 1 41 THR -2.19 -1.71 1 42 ALA 2.87 0.41 1 44 GLN -0.58 -1.56 1 45 SER -0.77 -0.23 1 46 ILE -4.82 -1.06 1 47 VAL -2.49 -0.70 1 55 TYR 4.72 1.56 1 56 THR 0.31 -0.92 1 59 TYR -3.38 -1.69 1 60 HIS -3.72 -0.72 1 61 ILE -2.15 -3.70 1 62 ALA -4.99 -1.08 1 63 VAL -2.74 -1.91 1 64 SER -2.74 1.35 1 65 ILE 4.58 2.30 1 67 ALA -0.50 -0.95 1 68 LYS 7.13 -0.11 1 69 THR -6.23 -2.16 1 70 LEU -3.48 -2.79 1 71 THR -0.51 -1.55 1 72 LEU -4.48 -2.87 1 73 SER -2.72 -3.31 1 74 LEU -2.97 -0.72 1 75 ASN 3.85 -0.60 1 76 ASN 2.66 -1.33 1 77 ARG -2.39 -0.57 1 78 VAL 3.96 0.06 1 79 MET -0.99 -0.22 1 80 LYS -5.39 -2.91 1 81 THR -0.71 -1.86 1 84 ILE -5.22 0.95 1 97 GLU -2.67 -1.99 1 98 PHE -7.41 -3.65 1 99 TYR -5.54 0.60 1 100 ILE -0.04 0.77 1 101 ILE -0.04 -1.70 1 102 ASN -1.26 -2.04 1 103 ARG -2.98 -2.29 1 104 GLN -3.62 -2.22 1 105 ARG 0.11 -1.18 1 111 PHE -1.74 -0.27 1 113 ALA -0.39 0.97 1 114 TYR -8.81 -2.90 1 115 TRP -2.77 -1.90 1 116 LEU -1.69 -1.98 1 117 SER 1.75 -0.12 1 118 LEU -5.44 1.06 1 126 HIS -3.31 -0.07 1 128 THR -0.17 -3.10 1 129 ASN 0.06 -1.29 1 132 ALA 2.19 -0.47 1 133 SER -0.02 -1.07 1 134 ILE 5.44 0.56 1 145 MET -7.13 -0.91 1 147 ASN 3.76 2.35 1 148 LYS 4.44 1.48 1 149 ASP 2.27 0.21 1 150 VAL 3.93 0.26 1 151 ILE 5.07 2.01 1 152 GLU 2.62 2.44 1 153 LEU 3.37 0.95 1 154 ALA 3.88 0.08 1 155 SER 2.53 -0.47 1 156 ILE 0.34 -0.12 1 159 ASN 3.93 -0.59 1 161 THR 3.72 -0.58 1 162 ARG -0.66 -2.20 1 163 VAL -3.62 -1.69 1 164 THR -0.29 -0.54 1 165 ILE 0.83 -1.38 1 166 ASN -4.90 -0.83 1 167 ARG 3.14 1.38 1 171 HIS 0.85 -0.06 1 stop_ save_