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 bmr18526_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.05 _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 0.68 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.40 _LACS_plot.Line_2_terminator_val_x_2 6.83 _LACS_plot.Line_2_terminator_val_y_2 5.07 _LACS_plot.Y_axis_chem_shift_offset 0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 147 GLU 6.61 7.28 0 10 HIS 0.50 1.36 1 11 MET 0.30 -0.12 1 12 ASN 0.22 0.01 1 13 PHE 0.46 -0.09 1 14 ASN 0.62 0.41 1 15 THR 2.27 1.72 1 16 ILE 2.23 2.27 1 17 LEU -6.15 -0.97 1 18 GLU -5.00 -1.72 1 19 GLU -3.22 1.12 1 20 ILE 2.80 0.88 1 21 LEU -5.37 -2.37 1 22 ILE -3.46 -1.22 1 23 LYS -4.63 -2.29 1 24 ARG -3.50 -0.73 1 25 SER 0.30 0.30 1 26 GLN -0.60 -0.11 1 27 GLN -0.60 -0.11 1 30 LYS 3.58 2.48 1 31 THR -0.02 -0.90 1 32 SER 1.84 1.33 1 34 LEU -1.15 -0.51 1 35 ASN -3.44 -1.03 1 36 TYR -1.04 -0.52 1 37 LYS -5.53 -2.53 1 38 GLU -0.24 0.29 1 39 ARG -6.30 -2.27 1 40 LEU -0.60 -0.15 1 41 PHE -2.35 0.03 1 42 VAL -3.10 -0.33 1 43 LEU -4.47 -1.50 1 44 THR -4.82 -2.36 1 45 LYS 4.02 2.84 1 46 SER -0.66 0.54 1 47 MET -5.39 -0.20 1 48 LEU -2.79 -1.35 1 49 THR -0.35 0.06 1 50 TYR -4.35 -4.57 1 51 TYR -6.30 -1.39 1 52 GLU -2.33 -1.54 1 54 ARG -3.77 -1.50 1 57 LYS 1.92 1.58 1 58 LYS -2.86 -1.15 1 59 TYR -1.60 -1.76 1 60 ARG 1.93 2.36 1 61 LYS -2.87 -2.57 1 63 PHE -3.65 -1.69 1 64 ILE -5.07 -1.30 1 65 ASP -0.48 -0.17 1 66 VAL 5.12 3.95 1 67 SER 2.86 2.33 1 68 LYS -0.28 -1.02 1 69 ILE 3.48 2.25 1 70 LYS -2.52 -0.55 1 72 VAL -2.85 -1.14 1 73 GLU -4.86 -2.67 1 74 ILE 2.16 3.09 1 75 VAL -2.81 -1.97 1 76 LYS 0.07 0.15 1 77 ASN -1.55 -0.17 1 78 ASP 0.25 0.34 1 79 ASP 0.31 0.01 1 81 VAL 0.53 -0.03 1 82 ILE -1.50 -1.07 1 85 GLN 2.71 2.02 1 86 ASN -1.71 -1.97 1 90 PHE -4.04 -1.63 1 91 GLN -8.05 -3.45 1 92 VAL -2.47 -1.29 1 93 VAL -0.04 -0.46 1 94 HIS -5.09 -1.21 1 95 ASP 3.31 2.49 1 96 ALA -0.58 -0.73 1 97 ASN -3.81 -0.79 1 98 THR -0.05 0.63 1 99 LEU -3.48 -2.08 1 100 TYR -2.19 -1.07 1 101 ILE -2.60 -1.82 1 102 PHE -0.39 -0.33 1 103 ALA -2.13 -1.28 1 105 SER -2.39 -1.35 1 107 GLN 6.84 4.13 1 108 SER 4.47 2.85 1 109 ARG 5.22 3.94 1 110 ASP 3.96 2.62 1 111 LEU 3.43 2.89 1 112 TRP 5.01 4.37 1 113 VAL 6.53 4.70 1 114 LYS 4.25 3.81 1 115 LYS 4.21 1.51 1 116 LEU 4.19 3.91 1 117 LYS 5.30 5.18 1 118 GLU 3.19 2.31 1 119 GLU 1.34 0.78 1 120 ILE 1.39 0.91 1 121 LYS 3.97 2.95 1 122 ASN -0.69 -0.59 1 123 ASN 1.24 -0.21 1 124 ASN 0.42 0.61 1 125 ASN 0.43 -0.34 1 126 ILE 0.28 -1.55 1 127 MET 0.04 1.57 1 128 ILE 1.46 0.93 1 129 LYS -5.10 -1.93 1 130 TYR -6.42 -3.29 1 131 HIS -3.30 -0.79 1 133 LYS -5.26 -1.73 1 134 PHE 1.33 1.87 1 137 ASP 2.85 0.39 1 139 SER -2.41 -1.04 1 140 TYR 0.13 2.30 1 141 GLN 1.80 1.92 1 144 ARG 6.69 1.48 1 145 GLN 0.98 2.18 1 146 THR -2.23 -0.78 1 148 LYS 0.25 -1.21 1 149 LEU 1.38 -1.49 1 150 ALA 0.81 0.39 1 154 GLU -5.99 -2.47 1 155 LYS 1.98 1.64 1 156 TYR -1.59 -2.87 1 157 ASN -1.59 -1.48 1 158 LEU 1.01 1.23 1 159 PHE -0.71 -0.81 1 160 GLU -0.88 -0.28 1 161 SER -0.23 -0.17 1 162 SER 0.26 0.23 1 163 ILE 0.43 0.04 1 164 ARG 0.77 1.17 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18526_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.05 _LACS_plot.Line_1_terminator_val_y_1 4.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.32 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.60 _LACS_plot.Line_2_terminator_val_x_2 6.83 _LACS_plot.Line_2_terminator_val_y_2 -1.76 _LACS_plot.Y_axis_chem_shift_offset 0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 147 GLU 6.61 0.67 0 10 HIS 0.50 0.86 1 11 MET 0.30 -0.42 1 12 ASN 0.22 -0.21 1 13 PHE 0.46 -0.55 1 14 ASN 0.62 -0.21 1 15 THR 2.27 -0.55 1 16 ILE 2.23 0.04 1 17 LEU -6.15 5.18 1 18 GLU -5.00 3.28 1 19 GLU -3.22 4.34 1 20 ILE 2.80 -1.92 1 21 LEU -5.37 3.00 1 22 ILE -3.46 2.24 1 23 LYS -4.63 2.34 1 24 ARG -3.50 2.77 1 25 SER 0.30 0.00 1 26 GLN -0.60 0.49 1 27 GLN -0.60 0.49 1 30 LYS 3.58 -1.10 1 31 THR -0.02 -0.88 1 32 SER 1.84 -0.51 1 34 LEU -1.15 0.64 1 35 ASN -3.44 2.41 1 36 TYR -1.04 0.52 1 37 LYS -5.53 3.00 1 38 GLU -0.24 0.53 1 39 ARG -6.30 4.03 1 40 LEU -0.60 0.45 1 41 PHE -2.35 2.38 1 42 VAL -3.10 2.77 1 43 LEU -4.47 2.97 1 44 THR -4.82 2.46 1 45 LYS 4.02 -1.18 1 46 SER -0.66 1.20 1 47 MET -5.39 5.19 1 48 LEU -2.79 1.44 1 49 THR -0.35 0.41 1 50 TYR -4.35 -0.22 1 51 TYR -6.30 4.91 1 52 GLU -2.33 0.79 1 54 ARG -3.77 2.27 1 57 LYS 1.92 -0.34 1 58 LYS -2.86 1.71 1 59 TYR -1.60 -0.16 1 60 ARG 1.93 0.43 1 61 LYS -2.87 0.30 1 63 PHE -3.65 1.96 1 64 ILE -5.07 3.77 1 65 ASP -0.48 0.31 1 66 VAL 5.12 -1.17 1 67 SER 2.86 -0.53 1 68 LYS -0.28 -0.74 1 69 ILE 3.48 -1.23 1 70 LYS -2.52 1.97 1 72 VAL -2.85 1.71 1 73 GLU -4.86 2.19 1 74 ILE 2.16 0.93 1 75 VAL -2.81 0.84 1 76 LYS 0.07 0.08 1 77 ASN -1.55 1.38 1 78 ASP 0.25 0.09 1 79 ASP 0.31 -0.30 1 81 VAL 0.53 -0.56 1 82 ILE -1.50 0.43 1 85 GLN 2.71 -0.69 1 86 ASN -1.71 -0.26 1 90 PHE -4.04 2.41 1 91 GLN -8.05 4.60 1 92 VAL -2.47 1.18 1 93 VAL -0.04 -0.42 1 94 HIS -5.09 3.88 1 95 ASP 3.31 -0.82 1 96 ALA -0.58 -0.15 1 97 ASN -3.81 3.02 1 98 THR -0.05 0.68 1 99 LEU -3.48 1.40 1 100 TYR -2.19 1.12 1 101 ILE -2.60 0.78 1 102 PHE -0.39 0.06 1 103 ALA -2.13 0.85 1 105 SER -2.39 1.04 1 107 GLN 6.84 -2.71 1 108 SER 4.47 -1.62 1 109 ARG 5.22 -1.28 1 110 ASP 3.96 -1.34 1 111 LEU 3.43 -0.54 1 112 TRP 5.01 -0.64 1 113 VAL 6.53 -1.83 1 114 LYS 4.25 -0.44 1 115 LYS 4.21 -2.70 1 116 LEU 4.19 -0.28 1 117 LYS 5.30 -0.12 1 118 GLU 3.19 -0.88 1 119 GLU 1.34 -0.56 1 120 ILE 1.39 -0.48 1 121 LYS 3.97 -1.02 1 122 ASN -0.69 0.10 1 123 ASN 1.24 -1.45 1 124 ASN 0.42 0.19 1 125 ASN 0.43 -0.77 1 126 ILE 0.28 -1.83 1 127 MET 0.04 1.53 1 128 ILE 1.46 -0.53 1 129 LYS -5.10 3.17 1 130 TYR -6.42 3.13 1 131 HIS -3.30 2.51 1 133 LYS -5.26 3.53 1 134 PHE 1.33 0.54 1 137 ASP 2.85 -2.46 1 139 SER -2.41 1.37 1 140 TYR 0.13 2.17 1 141 GLN 1.80 0.12 1 144 ARG 6.69 -5.21 1 145 GLN 0.98 1.20 1 146 THR -2.23 1.45 1 148 LYS 0.25 -1.46 1 149 LEU 1.38 -2.87 1 150 ALA 0.81 -0.42 1 154 GLU -5.99 3.52 1 155 LYS 1.98 -0.34 1 156 TYR -1.59 -1.28 1 157 ASN -1.59 0.11 1 158 LEU 1.01 0.22 1 159 PHE -0.71 -0.10 1 160 GLU -0.88 0.60 1 161 SER -0.23 0.06 1 162 SER 0.26 -0.03 1 163 ILE 0.43 -0.39 1 164 ARG 0.77 0.40 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18526_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.05 _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 -0.16 _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 6.83 _LACS_plot.Line_2_terminator_val_y_2 -0.62 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 147 GLU 6.61 0.69 0 10 HIS 0.50 -0.12 1 11 MET 0.30 -0.15 1 12 ASN 0.22 -0.10 1 13 PHE 0.46 0.03 1 14 ASN 0.62 -0.05 1 15 THR 2.27 -0.29 1 16 ILE 2.23 -0.28 1 17 LEU -6.15 0.11 1 18 GLU -5.00 1.63 1 19 GLU -3.22 0.23 1 20 ILE 2.80 0.78 1 21 LEU -5.37 0.39 1 22 ILE -3.46 0.82 1 23 LYS -4.63 0.81 1 24 ARG -3.50 0.25 1 25 SER 0.30 -0.02 1 26 GLN -0.60 0.13 1 27 GLN -0.60 0.02 1 30 LYS 3.58 -0.30 1 31 THR -0.02 -0.06 1 32 SER 1.84 -0.08 1 34 LEU -1.15 -0.13 1 35 ASN -3.44 0.10 1 36 TYR -1.04 0.27 1 37 LYS -5.53 0.48 1 38 GLU -0.24 0.39 1 39 ARG -6.30 0.67 1 40 LEU -0.60 0.35 1 41 PHE -2.35 0.67 1 42 VAL -3.10 0.97 1 43 LEU -4.47 1.20 1 44 THR -4.82 0.48 1 45 LYS 4.02 -0.38 1 46 SER -0.66 0.17 1 47 MET -5.39 0.92 1 48 LEU -2.79 1.09 1 49 THR -0.35 0.43 1 50 TYR -4.35 1.36 1 51 TYR -6.30 0.56 1 52 GLU -2.33 0.47 1 54 ARG -3.77 -0.12 1 57 LYS 1.92 -0.17 1 58 LYS -2.86 0.23 1 59 TYR -1.60 0.48 1 60 ARG 1.93 -0.55 1 61 LYS -2.87 0.30 1 63 PHE -3.65 0.70 1 64 ILE -5.07 -0.19 1 65 ASP -0.48 0.31 1 66 VAL 5.12 -0.61 1 67 SER 2.86 0.02 1 68 LYS -0.28 0.11 1 69 ILE 3.48 -0.12 1 70 LYS -2.52 0.33 1 72 VAL -2.85 1.26 1 73 GLU -4.86 0.50 1 74 ILE 2.16 0.08 1 75 VAL -2.81 0.29 1 76 LYS 0.07 -0.02 1 77 ASN -1.55 0.14 1 78 ASP 0.25 0.01 1 79 ASP 0.31 -0.06 1 81 VAL 0.53 -0.10 1 82 ILE -1.50 -0.09 1 85 GLN 2.71 -0.35 1 86 ASN -1.71 0.30 1 90 PHE -4.04 0.40 1 91 GLN -8.05 1.31 1 92 VAL -2.47 0.52 1 93 VAL -0.04 0.53 1 94 HIS -5.09 0.52 1 95 ASP 3.31 -0.41 1 96 ALA -0.58 0.09 1 97 ASN -3.81 -0.18 1 98 THR -0.05 0.24 1 99 LEU -3.48 0.21 1 100 TYR -2.19 0.61 1 101 ILE -2.60 0.22 1 102 PHE -0.39 -0.37 1 103 ALA -2.13 0.38 1 105 SER -2.39 -0.04 1 107 GLN 6.84 -0.29 1 108 SER 4.47 0.00 1 109 ARG 5.22 -0.69 1 110 ASP 3.96 -0.41 1 111 LEU 3.43 -0.23 1 112 TRP 5.01 -1.22 1 113 VAL 6.53 -0.86 1 114 LYS 4.25 -0.41 1 115 LYS 4.21 -0.33 1 116 LEU 4.19 -0.34 1 117 LYS 5.30 -0.55 1 118 GLU 3.19 -0.40 1 119 GLU 1.34 -0.04 1 120 ILE 1.39 0.15 1 121 LYS 3.97 -0.33 1 122 ASN -0.69 0.30 1 123 ASN 1.24 -0.10 1 124 ASN 0.42 -0.01 1 125 ASN 0.43 0.02 1 126 ILE 0.28 0.15 1 127 MET 0.04 -0.26 1 128 ILE 1.46 0.20 1 129 LYS -5.10 0.99 1 130 TYR -6.42 0.07 1 131 HIS -3.30 0.08 1 133 LYS -5.26 0.50 1 134 PHE 1.33 -0.66 1 137 ASP 2.85 -0.42 1 139 SER -2.41 -0.17 1 140 TYR 0.13 0.18 1 141 GLN 1.80 -0.30 1 144 ARG 6.69 -0.16 1 145 GLN 0.98 0.25 1 146 THR -2.23 -0.13 1 148 LYS 0.25 -0.04 1 149 LEU 1.38 0.09 1 150 ALA 0.81 -0.18 1 154 GLU -5.99 0.41 1 155 LYS 1.98 -0.06 1 156 TYR -1.59 0.35 1 157 ASN -1.59 -0.10 1 158 LEU 1.01 -0.89 1 159 PHE -0.71 -0.09 1 160 GLU -0.88 -0.08 1 161 SER -0.23 -0.02 1 162 SER 0.26 -0.01 1 163 ILE 0.43 0.02 1 164 ARG 0.77 -0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18526_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.05 _LACS_plot.Line_1_terminator_val_y_1 -3.30 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.02 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.31 _LACS_plot.Line_2_terminator_val_x_2 6.83 _LACS_plot.Line_2_terminator_val_y_2 1.32 _LACS_plot.Y_axis_chem_shift_offset 0.69 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 90 PHE -4.04 -5.48 0 140 TYR 0.13 3.27 0 127 MET 0.04 3.59 0 147 GLU 6.61 -1.87 0 10 HIS 0.50 0.80 1 11 MET 0.30 -0.94 1 12 ASN 0.22 -0.32 1 13 PHE 0.46 -0.61 1 14 ASN 0.62 -0.04 1 15 THR 2.27 -0.89 1 16 ILE 2.23 -0.84 1 17 LEU -6.15 -3.70 1 18 GLU -5.00 -1.67 1 19 GLU -3.22 -2.04 1 20 ILE 2.80 -0.84 1 21 LEU -5.37 -3.41 1 22 ILE -3.46 -2.04 1 23 LYS -4.63 -1.38 1 24 ARG -3.50 -0.59 1 30 LYS 3.58 -0.46 1 31 THR -0.02 0.03 1 34 LEU -1.15 -1.81 1 35 ASN -3.44 -2.76 1 36 TYR -1.04 -0.94 1 37 LYS -5.53 -1.38 1 38 GLU -0.24 0.57 1 39 ARG -6.30 -2.91 1 40 LEU -0.60 -2.18 1 41 PHE -2.35 -0.98 1 42 VAL -3.10 -0.80 1 43 LEU -4.47 -2.38 1 44 THR -4.82 -2.03 1 45 LYS 4.02 0.19 1 46 SER -0.66 1.16 1 47 MET -5.39 -3.46 1 48 LEU -2.79 -3.01 1 49 THR -0.35 -2.95 1 50 TYR -4.35 -1.17 1 51 TYR -6.30 -0.71 1 52 GLU -2.33 -1.44 1 57 LYS 1.92 -0.14 1 60 ARG 1.93 -0.45 1 61 LYS -2.87 -0.95 1 63 PHE -3.65 -3.10 1 64 ILE -5.07 -1.72 1 65 ASP -0.48 1.07 1 66 VAL 5.12 1.61 1 67 SER 2.86 0.39 1 68 LYS -0.28 -0.14 1 69 ILE 3.48 -1.50 1 70 LYS -2.52 -0.64 1 72 VAL -2.85 -2.14 1 73 GLU -4.86 -2.79 1 74 ILE 2.16 -1.67 1 75 VAL -2.81 -2.23 1 76 LYS 0.07 -3.93 1 77 ASN -1.55 -0.44 1 78 ASP 0.25 -0.65 1 79 ASP 0.31 0.11 1 81 VAL 0.53 -0.34 1 85 GLN 2.71 -0.95 1 91 GLN -8.05 -2.93 1 92 VAL -2.47 -2.14 1 93 VAL -0.04 -0.77 1 94 HIS -5.09 0.66 1 95 ASP 3.31 -1.22 1 97 ASN -3.81 -2.36 1 98 THR -0.05 -2.80 1 99 LEU -3.48 -3.64 1 100 TYR -2.19 -2.34 1 101 ILE -2.60 -3.27 1 102 PHE -0.39 -0.84 1 107 GLN 6.84 2.94 1 108 SER 4.47 1.65 1 109 ARG 5.22 0.19 1 110 ASP 3.96 2.01 1 111 LEU 3.43 0.20 1 112 TRP 5.01 2.41 1 113 VAL 6.53 0.64 1 114 LYS 4.25 3.00 1 115 LYS 4.21 -1.98 1 116 LEU 4.19 1.11 1 117 LYS 5.30 1.94 1 118 GLU 3.19 2.14 1 119 GLU 1.34 2.40 1 120 ILE 1.39 1.08 1 121 LYS 3.97 -0.75 1 122 ASN -0.69 -0.18 1 123 ASN 1.24 0.99 1 124 ASN 0.42 0.22 1 125 ASN 0.43 -1.01 1 126 ILE 0.28 1.60 1 128 ILE 1.46 1.11 1 129 LYS -5.10 -2.58 1 130 TYR -6.42 -4.46 1 133 LYS -5.26 -2.16 1 134 PHE 1.33 0.68 1 141 GLN 1.80 -0.92 1 144 ARG 6.69 -0.82 1 145 GLN 0.98 -0.61 1 146 THR -2.23 -0.43 1 148 LYS 0.25 2.00 1 149 LEU 1.38 -1.86 1 154 GLU -5.99 -1.90 1 155 LYS 1.98 -1.35 1 156 TYR -1.59 -1.80 1 157 ASN -1.59 -2.39 1 158 LEU 1.01 -1.69 1 159 PHE -0.71 -0.47 1 160 GLU -0.88 -0.69 1 161 SER -0.23 0.73 1 162 SER 0.26 -0.61 1 163 ILE 0.43 -1.41 1 stop_ save_